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update PARAM
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Thu, 12 Mar 2020 21:55:27 +0000 (22:55 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Thu, 12 Mar 2020 21:55:27 +0000 (22:55 +0100)
44 files changed:
PARAM/7protext.parm.tar.gz [new file with mode: 0644] patch | blob
PARAM/AA_abinitio.thet.parm.12-6-start3-torv0 [new file with mode: 0644] patch | blob
PARAM/A_abinitio.thet.parm.16 [new file with mode: 0644] patch | blob
PARAM/A_abinitio.thet.parm.32 [new file with mode: 0644] patch | blob
PARAM/GAP_abinitio.torsion.thet.3-6-torv0.parm [new file with mode: 0644] patch | blob
PARAM/GAP_new_abinitio.thet.parm [new file with mode: 0644] patch | blob
PARAM/Lip_tran_initial_ext.parm [new file with mode: 0644] patch | blob
PARAM/Lip_tran_mod_ext.parm [new file with mode: 0644] patch | blob
PARAM/bond_AM1_ext_dum.parm [new file with mode: 0644] patch | blob
PARAM/bond_ext_dum.parm [new file with mode: 0644] patch | blob
PARAM/extold.tar.gz [new file with mode: 0644] patch | blob
PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3 [new file with mode: 0644] patch | blob
PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3_new [new file with mode: 0644] patch | blob
PARAM/fourier_opt_iter0_7prot-eps.parm [new file with mode: 0644] patch | blob
PARAM/fourier_opt_iter0_7prot-eps_ext.parm [new symlink] patch | blob
PARAM/fourier_opt_iter1_7p_old-ext.parm [new file with mode: 0644] patch | blob
PARAM/fourier_opt_iter1_7p_old.parm [new file with mode: 0644] patch | blob
PARAM/rotamers_AM1_aura_ext.10022007.parm [new file with mode: 0644] patch | blob
PARAM/sc_GB_opt_ext.1gab_3S_qclass5no310-shan2-sc-16-10-8k [new file with mode: 0644] patch | blob
PARAM/sc_GB_opt_ext.1gab_3S_qclass5no310-shan2-sc-16-10-8k_lip [new file with mode: 0644] patch | blob
PARAM/sc_GB_opt_iter0_7prot-eps.parm [new file with mode: 0644] patch | blob
PARAM/sc_GB_opt_iter0_7prot-eps_ext_lip.parm [new file with mode: 0644] patch | blob
PARAM/sc_GB_opt_iter1_7p_old-ext.parm [new symlink] patch | blob
PARAM/sc_GB_opt_iter1_7p_old-ext_lip.parm [new file with mode: 0644] patch | blob
PARAM/sc_GB_opt_iter1_7p_old.parm [new file with mode: 0644] patch | blob
PARAM/sccor_am1_pawel_ext.dat [new file with mode: 0644] patch | blob
PARAM/scinter_GBV_extGB.parm [new file with mode: 0644] patch | blob
PARAM/scinter_GBV_ext_lipid.parm [new file with mode: 0644] patch | blob
PARAM/scinter_GBV_ext_soft.parm [new file with mode: 0644] patch | blob
PARAM/scinter_GB_ext_lip.parm [new file with mode: 0644] patch | blob
PARAM/theta_abinitio_old_ext.parm [new file with mode: 0644] patch | blob
PARAM/tor_opt_iter0_7prot-eps.parm [new file with mode: 0644] patch | blob
PARAM/tor_opt_iter0_7prot-eps_ext.parm [new file with mode: 0644] patch | blob
PARAM/tor_opt_iter1_7p_old-ext.parm [new file with mode: 0644] patch | blob
PARAM/tor_opt_iter1_7p_old.parm [new file with mode: 0644] patch | blob
PARAM/torsion_631Gdp_old.parm [new file with mode: 0644] patch | blob
PARAM/torsion_631Gdp_old_ext.parm [new file with mode: 0644] patch | blob
PARAM/torsion_double_631Gdp_old.parm [new file with mode: 0644] patch | blob
PARAM/torsion_double_631Gdp_old_ext.parm [new file with mode: 0644] patch | blob
PARAM/ttt [new file with mode: 0644] patch | blob
PARAM/tube.parm [new file with mode: 0644] patch | blob
PARAM/weights_opt_FF2.parm [new file with mode: 0644] patch | blob
PARAM/weights_opt_iter0_7p_old-ext.parm [new file with mode: 0644] patch | blob
PARAM/weights_opt_iter1_7p_old-ext.parm [new file with mode: 0644] patch | blob

diff --git a/PARAM/7protext.parm.tar.gz b/PARAM/7protext.parm.tar.gz
new file mode 100644 (file)
index 0000000..6146c47
Binary files /dev/null and b/PARAM/7protext.parm.tar.gz differ
diff --git a/PARAM/AA_abinitio.thet.parm.12-6-start3-torv0 b/PARAM/AA_abinitio.thet.parm.12-6-start3-torv0
new file mode 100644 (file)
index 0000000..72a01b7
--- /dev/null
+++ b/PARAM/AA_abinitio.thet.parm.12-6-start3-torv0
@@ -0,0 +1,159 @@
+1
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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diff --git a/PARAM/A_abinitio.thet.parm.16 b/PARAM/A_abinitio.thet.parm.16
new file mode 100644 (file)
index 0000000..08d1853
--- /dev/null
+++ b/PARAM/A_abinitio.thet.parm.16
@@ -0,0 +1,32 @@
+v11             1.5042110253    1
+v21             2.4960272935    1
+v12             2.8811392539    1
+v22             2.0587390552    1
+v13             0.6157993704    1
+v23            -0.2364345048    1
+v14             0.0002844818    1
+v24             0.6506955228    1
+v15             0.9040301836    1
+v25             0.8568694351    1
+v16             1.0744209175    1
+v26             1.4854535195    1
+v17             1.4372624187    1
+v27             0.8030745051    1
+v18             0.2961162772    1
+v28             0.4483366176    1
+v19             0.8827707660    1
+v29             0.9841908625    1
+v110            0.8094751126    1
+v220            0.8223017679    1
+v111            1.0471727830    1
+v211            1.0792807241    1
+v112            0.8154397256    1
+v212            0.6001544387    1
+v113            0.6019098520    1
+v213            0.5595959902    1
+v114            0.3095508007    1
+v214            0.1067034591    1
+v115            0.1475373198    1
+v215            0.1727722952    1
+v116           -0.0205221855    1
+v216            0.0701980323    1
diff --git a/PARAM/A_abinitio.thet.parm.32 b/PARAM/A_abinitio.thet.parm.32
new file mode 100644 (file)
index 0000000..a526b82
--- /dev/null
+++ b/PARAM/A_abinitio.thet.parm.32
@@ -0,0 +1,33 @@
+32
+1.5042110253
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+0.1475373198
+0.1727722952
+-0.0205221855
+0.0701980323
diff --git a/PARAM/GAP_abinitio.torsion.thet.3-6-torv0.parm b/PARAM/GAP_abinitio.torsion.thet.3-6-torv0.parm
new file mode 100644 (file)
index 0000000..ffd9859
--- /dev/null
+++ b/PARAM/GAP_abinitio.torsion.thet.3-6-torv0.parm
@@ -0,0 +1,713 @@
+2 *** Parameters of the backbone valence-torsional potentials derived by integrating MP2/6-31G** local-interaction energy surfaces ***
+1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1
+3 6   GG_abinitio.thet.parm.3-6-free-maxlik-torv0
+  -3.8370878973
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+   0.1218662663
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+  -1.8584429692
+3 6   AA_abinitio.thet.parm.3-6-free-maxlik-torv0
+  -1.6145316391
+ -12.4111250817
+  -5.2976571830
+   7.0643989351
+   3.4082665664
+  -6.6259906522
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+   1.9443365017
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+   9.7616355401
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+  12.5688992584
+   3.4005271086
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+   0.0770979183
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+   1.2413887316
+  -3.5575934627
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+   2.7403448921
+   1.1852334761
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+   3.7982671140
+   5.6917389089
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+  -1.2863395840
+   0.2091207128
+   4.9805586896
+   0.0773461731
+  -0.1402384904
+3 6   AP_abinitio.thet.parm.3-6-free-maxlik-torv0
+   1.5871753215
+   1.6220047364
+  -4.1161961071
+  -2.3414758609
+   4.7517348879
+  -2.4028394508
+  -3.4006298843
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+   2.1991837006
+  -4.1054464875
+   1.9565870625
+  -1.4033761758
+  -4.7054159143
+   5.0735469981
+   5.7668183088
+  -4.7585252786
+   3.3994768392
+   3.2112170969
+  -0.2356243533
+  -1.3933021386
+   0.3159690208
+   1.0969231108
+  -0.8009672383
+   0.7644430506
+   0.8925546540
+  -0.9239262864
+   0.7990165074
+   1.7519288290
+   0.9888442696
+  -0.0939596565
+   0.0158216280
+  -1.8582270303
+  -0.4797518062
+   3.1998852449
+   4.7881515010
+   1.1354554653
+  -2.7866925671
+   0.6087718287
+  -0.4368831868
+  -1.2513133204
+   0.3334327932
+   2.1804768944
+  -0.1354805005
+   0.2504400494
+   0.0324039921
+   0.9721840167
+   0.3767939486
+  -1.9544578117
+  -0.6891931332
+   0.1320906150
+  -0.2353797615
+   1.8842431456
+   0.2210363975
+  -1.2733175378
+  -3.0313549513
+  -3.9539434530
+  -1.5125432095
+  -0.0232879349
+  -3.0977296199
+  -0.6390974360
+   2.4042262570
+   0.1086808289
+  -1.3326088449
+   0.4213273429
+  -0.4050427530
+   0.5888207203
+   0.9488214252
+  -0.0637934952
+   0.7647500131
+  -0.8124691577
+  -2.1962057500
+   0.9365430482
+   1.2131133381
+  -2.9820211914
+   1.1683816223
+   0.2673141001
+  -1.1937477162
+3 6   PA_abinitio.thet.parm.3-6-free-maxlik-torv0
+   2.5574235412
+  -5.4084847681
+ -11.5634728598
+  -5.0773293193
+   4.3758307512
+  -2.6579287777
+  -5.6552738152
+ -13.7867377217
+   1.5830839888
+  10.4283843325
+  -6.1273535450
+  -4.8752526168
+  -6.5996654613
+ -17.7294947078
+  -6.2208942920
+   3.7635679540
+  -9.3324171812
+ -12.0138754612
+   4.0996585369
+   0.9979260766
+  -1.6677055565
+   4.4287128626
+  15.3248797851
+  11.8071153964
+   0.0866881618
+   0.0695196403
+  -3.8030940723
+   2.2366336231
+   3.3120016278
+  -1.3862938239
+  -4.9593431021
+  -0.1449406804
+  -3.4064763055
+   3.4874455010
+   7.0909449179
+   8.4265018719
+   7.9873798077
+  -1.3602728763
+   1.1441537502
+  -1.9659785305
+   2.8011793652
+   4.7130408110
+  -1.5186728394
+  -2.5193377559
+  -2.3507971997
+  -8.7071397472
+   0.9081564803
+   8.6761321130
+   0.2887699714
+  -3.0692725425
+   0.0503777483
+   0.1127507001
+  -1.3037768162
+   0.7960690895
+   2.1201953650
+   1.3179821841
+  -0.5894957240
+  -1.1932829861
+  -2.0851294530
+  -1.6466883924
+  -2.4890318289
+  -6.0650511064
+  -6.6876783186
+   7.5774546570
+   0.1040386626
+  -0.8540696460
+  -2.5740685375
+  -2.1606239116
+   2.7910573976
+   8.5705202279
+   1.5224431540
+   2.9443626602
+   0.3188991188
+  -5.5629938588
+  -7.6749848596
+  -1.0209235717
+   0.0453260952
+  -0.0221520670
+3 6   PG_abinitio.thet.parm.3-6-free-maxlik-torv0
+   1.4676813034
+  -0.4660709871
+  -0.2687052580
+   0.4719634809
+  -0.5896507232
+   0.2486085994
+  -1.0434513877
+  -3.1545089068
+   2.4584523816
+   2.5358169304
+  -4.2926900157
+   1.9300881121
+   1.3731718879
+  -1.2273658558
+   0.8571488834
+   0.2048941526
+  -0.4479438902
+   0.5256509626
+  -0.3788583028
+  -3.4068767878
+   2.6411160397
+   2.3045190265
+  -4.1570976396
+   2.1080804196
+   0.8051867736
+  -1.0913762806
+   1.4845727075
+  -3.0771949645
+   1.9615668438
+   3.5204909419
+  -4.2547071285
+   2.2403300664
+   2.1537157460
+  -1.0602731772
+   2.7154358366
+   1.8147614738
+  -1.3916018248
+   2.1490052431
+  -1.1219883659
+  -1.5094797983
+   4.2267279842
+   2.6933554690
+  -3.4794743547
+   3.5346269701
+   2.4249821645
+   1.8199670348
+  -0.9081666015
+  -0.9465023236
+   2.2023960540
+  -1.3654712701
+   0.9147210312
+   0.7970658067
+   1.8842075466
+   2.6102166716
+   2.6006139830
+   1.8796717978
+   1.7739975439
+   0.7293083952
+   1.0209828592
+  -0.0335568307
+  -0.6176020970
+  -0.0296524887
+   0.2692894807
+  -0.7383510475
+  -2.5109435053
+  -2.4371367244
+  -2.3009118693
+  -1.5593968110
+  -2.6947022141
+  -3.0158483436
+  -1.3757570918
+   0.6258367540
+   0.9037288744
+   0.3629691578
+  -0.3790087144
+  -0.8111096872
+   0.4133043035
+  -0.3554277308
+3 6   PP_abinitio.thet.parm.3-6-free-maxlik-torv0
+   1.2911113296
+   3.9022170778
+  -4.8722731734
+  -1.9759865518
+   4.9072006251
+  -2.5242303983
+  -4.6749735094
+  -0.2475890226
+   2.9883659715
+  -1.5905909780
+  -0.2629808267
+   0.7214114952
+   0.8481840659
+  -2.1228053443
+  -3.9816511949
+   2.3353552154
+  -2.6638789725
+  -1.5137963297
+  -2.4110938859
+  -3.5027748435
+   1.2462013335
+   1.7327029827
+  -3.6667937617
+   1.3856993599
+   2.2097303674
+   1.3591247723
+  -1.9968819671
+   2.1137444735
+  -2.2121113472
+  -1.8574908196
+   4.3908573306
+  -1.4493846399
+   0.6310873174
+   7.6391548889
+   0.7597540469
+  -2.1065359155
+   6.3556531185
+  -0.4929127244
+   5.7515481754
+   9.2925250349
+   2.3459691815
+   0.4447135602
+   9.2476719340
+  -0.8970015172
+  -1.5842564300
+  -2.5941926750
+   1.4717439072
+   1.5784569339
+  -3.6570296585
+   2.2944107608
+   0.8904257794
+   0.8349796704
+   5.0096536288
+   3.3445240483
+  -0.3385353064
+   0.2765197451
+   3.6511422254
+  -3.5099498003
+   0.2247640546
+  -3.9641404863
+   0.0016742692
+   1.4664631051
+  -3.8587506183
+   1.4533475815
+   0.9330688020
+  -0.3804055848
+  -1.1973168927
+  -2.5448302953
+  -4.2469784113
+  -2.5685417227
+   0.7573825414
+  -0.2700658827
+   0.5479519395
+   0.9169919829
+  -1.1635779148
+  -1.4076021270
+   0.2308480465
+  -0.3964574442
diff --git a/PARAM/GAP_new_abinitio.thet.parm b/PARAM/GAP_new_abinitio.thet.parm
new file mode 100644 (file)
index 0000000..af6853a
--- /dev/null
+++ b/PARAM/GAP_new_abinitio.thet.parm
@@ -0,0 +1,25 @@
+8
+ -3.0119485426
+  0.3979798781
+ 16.8175044510
+ 15.1006457035
+ -8.6505373685
+ -7.6967175913
+ 17.5522642667
+-13.5602193650
+8
+ -2.6423862703
+  0.6870934590
+ 16.3250096522
+ 15.4190580319
+ -6.6435066851
+ -6.8694645488
+ 16.5160308287
+-11.1748761160
+6
+  0.5776845960
+  0.9905366883
+  4.2505200346
+  7.9658404032
+  6.1751798355
+ -3.7928388665
diff --git a/PARAM/Lip_tran_initial_ext.parm b/PARAM/Lip_tran_initial_ext.parm
new file mode 100644 (file)
index 0000000..65acddb
--- /dev/null
+++ b/PARAM/Lip_tran_initial_ext.parm
@@ -0,0 +1,25 @@
+   0.02
+  -2.09251
+  -1.67129
+  -2.43220
+  -2.44579
+  -2.30991
+  -1.65770
+  -3.05723
+  -1.30442
+  -0.42122
+   0.00000
+  -0.35328
+   0.05435
+   0.29893
+   0.81526
+   0.86961
+   1.04625
+  -0.17664
+   1.37236
+   1.34518
+  -0.97831
+  -1.67129
+  -2.43220
+  -0.35328
+  -0.35328
diff --git a/PARAM/Lip_tran_mod_ext.parm b/PARAM/Lip_tran_mod_ext.parm
new file mode 100644 (file)
index 0000000..ba2970c
--- /dev/null
+++ b/PARAM/Lip_tran_mod_ext.parm
@@ -0,0 +1,25 @@
+   0.02
+  -3.09251
+  -2.67129
+  -3.43220
+  -3.44579
+  -3.30991
+  -2.65770
+  -4.05723
+  -2.30442
+  -1.42122
+  -1.00000
+  -1.35328
+  -0.95
+  -0.75
+  -0.2
+  -0.13
+   0.04625
+  -1.17664
+   0.37236
+   0.34518
+  -1.97831
+  -2.67129
+  -3.43220
+  -1.35328
+  -1.35328
diff --git a/PARAM/bond_AM1_ext_dum.parm b/PARAM/bond_AM1_ext_dum.parm
new file mode 100644 (file)
index 0000000..cf2100e
--- /dev/null
+++ b/PARAM/bond_AM1_ext_dum.parm
@@ -0,0 +1,26 @@
+1 3.800 1.900  41.7  0.000                                  43.0  14.33  2.5  ! peptide group and dummy atom
+1 1.396 243.1  0.000                                        59.0  19.67  5.0  ! Cys
+2 2.103  71.3  0.850 2.500 128.0  0.033                     88.0  29.33  6.2  ! Met
+1 2.997 124.6  0.000                                       104.0  34.67  6.8  ! Phe
+2 1.645 260.7  0.857 1.908 312.6 .00010                     70.0  23.33  6.2  ! Ile
+2 1.782 638.3  2.360 2.086 160.4  0.409                     70.0  23.33  6.3  ! Leu
+1 1.488 294.4  0.000                                        56.0  18.67  5.8  ! Val
+2 3.368 123.1  0.000 3.686 129.1 .00049                    143.0  47.67  7.2  ! Trp
+1 3.362 113.2  0.000                                       120.0  40.00  6.9  ! Tyr
+1 0.778 353.0  0.000                                        28.0   9.33  4.6  ! Ala
+0                                                           14.0   0.00  3.8  ! Gly
+1 1.480 295.8  0.000                                        58.0  19.33  5.6  ! Thr
+1 1.311 269.6  0.000                                        44.0  14.67  4.8  ! Ser
+3 2.125 147.9  2.125 2.424 138.9  .0333 2.776 383.8  0.000  85.0  28.33  6.1  ! Gln
+1 2.008 161.4  0.000                                        71.0  23.67  5.7  ! Asn
+3 2.093 131.2  1.943 2.425 146.5  .0263 2.784 479.3  0.784  85.0  28.33  6.1  ! Glu
+1 2.030 160.2  0.000                                        71.0  23.67  5.6  ! Asp
+1 2.739 134.5  0.000                                        95.0  31.67  6.2  ! His
+3 2.644  48.8  1.707 3.433  34.8 .00123 4.080 899.9  1.175 114.0  38.00  6.8  ! Arg
+3 2.379  99.0  1.974 2.704 157.5  0.546 3.073 164.7  0.055  86.0  28.67  6.3  ! Lys
+1 1.422 605.2  0.000                                        71.0  23.67  5.6  ! Pro
+2 2.142  71.3  0.850 2.500 128.0  0.033                    135.0  45.00  6.2  ! SeMet
+1 3.799 124.6  0.000                                       149.0  49.67  7.2  ! Dap(Bz)
+1 0.743 353.00 0.000                                        42.0  14.00  4.7  ! Aib
+1 1.210 353.00 0.000                                        42.0  14.00  5.6  ! Abu
+
diff --git a/PARAM/bond_ext_dum.parm b/PARAM/bond_ext_dum.parm
new file mode 100644 (file)
index 0000000..2137b43
--- /dev/null
+++ b/PARAM/bond_ext_dum.parm
@@ -0,0 +1,25 @@
+3.800   1.900  500.00  43.0  14.33  5.0  ! peptide group and dummy
+1.237   500.00  59.0  19.67  5.0  ! Cys
+2.142   500.00  88.0  29.33  6.2  ! Met
+2.299   500.00 104.0  34.67  6.8  ! Phe
+1.776   500.00  70.0  23.33  6.2  ! Ile
+1.939   500.00  70.0  23.33  6.3  ! Leu
+1.410   500.00  56.0  18.67  5.8  ! Val
+2.605   500.00 143.0  47.67  7.2  ! Trp
+2.484   500.00 120.0  40.00  6.9  ! Tyr
+0.743   500.00  28.0   9.33  4.6  ! Ala
+0.000   500.00  14.0   0.00  3.8  ! Gly
+1.393   500.00  58.0  19.33  5.6  ! Thr
+1.150   500.00  44.0  14.67  4.8  ! Ser
+2.240   500.00  85.0  28.33  6.1  ! Glu
+1.684   500.00  71.0  23.67  5.7  ! Asn
+2.254   500.00  85.0  28.33  6.1  ! Glu
+1.709   500.00  71.0  23.67  5.6  ! Asp
+2.113   500.00  95.0  31.67  6.2  ! His
+3.020   500.00 114.0  38.00  6.8  ! Arg
+2.541   500.00  86.0  28.67  6.3  ! Lys
+1.345   500.00  71.0  23.67  5.6  ! Pro
+2.142   500.00 135.0  45.00  6.2  ! SeMet
+3.799   500.00 149.0  49.67  7.2  ! Dap(Bz)
+0.743   500.00  42.0  14.00  4.7  ! Aib
+1.210   500.00  42.0  14.00  5.6  ! Abu
diff --git a/PARAM/extold.tar.gz b/PARAM/extold.tar.gz
new file mode 100644 (file)
index 0000000..4e66c42
Binary files /dev/null and b/PARAM/extold.tar.gz differ
diff --git a/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3 b/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3
new file mode 100644 (file)
index 0000000..433e995
--- /dev/null
+++ b/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3
@@ -0,0 +1,43 @@
+    3     # Number of local interaction types
+Gly
+   0.000000000000000
+   0.791965124028570
+   0.206068961118571
+   0.000000000000000
+   0.000000000000000
+   2.373462483972307
+  -0.927962753087420
+   0.000000000000000
+   0.000000000000000
+   1.329421814829764
+  -0.370576187607876
+   0.000000000000000
+   0.000000000000000
+Ala
+   0.000000000000000
+   0.500261572719827
+  -0.233786079150650
+  -0.878020534542259
+   1.501220349138902
+  -2.089734050079038
+   2.302365702770721
+  -0.532502145482045
+  -1.596421505165690
+   1.276301651241011
+   0.399942874780603
+  -0.543778421330412
+   0.400478498916355
+Pro
+   0.000000000000000
+  -1.286480000000000
+   0.031808800000000
+  -0.906628000000000
+   1.015390000000000
+  -1.548870000000000
+   1.914370000000000
+   0.664143000000000
+  -0.454839000000000
+  -0.051291400000000
+   0.103179000000000
+   0.316367000000000
+   0.045277200000000
diff --git a/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3_new b/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3_new
new file mode 100644 (file)
index 0000000..231618e
--- /dev/null
+++ b/PARAM/fourier_opt_ext.parm.1igd_hc_iter3_3_new
@@ -0,0 +1,71 @@
+    3     # Number of local interaction types
+Gly
+   0.000000000000000
+   0.791965124028570
+   0.206068961118571
+   0.000000000000000
+   0.000000000000000
+   2.373462483972307
+  -0.927962753087420
+   0.000000000000000
+   0.000000000000000
+   1.329421814829764
+  -0.370576187607876
+   0.000000000000000
+   0.000000000000000
+   1.000000000000000
+   0.500000000000000
+   0.500000000000000
+   1.000000000000000
+   1.000000000000000
+   1.500000000000000
+   1.500000000000000
+   2.000000000000000
+   2.000000000000000
+Ala
+   0.000000000000000
+   0.500261572719827
+  -0.233786079150650
+  -0.878020534542259
+   1.501220349138902
+  -2.089734050079038
+   2.302365702770721
+  -0.532502145482045
+  -1.596421505165690
+   1.276301651241011
+   0.399942874780603
+  -0.543778421330412
+   0.400478498916355
+   1.000000000000000
+   0.500000000000000
+   0.500000000000000
+   1.000000000000000
+   1.000000000000000
+   1.500000000000000
+   1.500000000000000
+   2.000000000000000
+   2.000000000000000
+Pro
+   0.000000000000000
+  -1.286480000000000
+   0.031808800000000
+  -0.906628000000000
+   1.015390000000000
+  -1.548870000000000
+   1.914370000000000
+   0.664143000000000
+  -0.454839000000000
+  -0.051291400000000
+   0.103179000000000
+   0.316367000000000
+   0.045277200000000
+   1.000000000000000
+   0.500000000000000
+   0.500000000000000
+   1.000000000000000
+   1.000000000000000
+   1.500000000000000
+   1.500000000000000
+   2.000000000000000
+   2.000000000000000
+
diff --git a/PARAM/fourier_opt_iter0_7prot-eps.parm b/PARAM/fourier_opt_iter0_7prot-eps.parm
new file mode 100644 (file)
index 0000000..469881e
--- /dev/null
+++ b/PARAM/fourier_opt_iter0_7prot-eps.parm
@@ -0,0 +1,43 @@
+    3     # Number of local interaction types
+GLY
+   0.000000000000000
+   0.292273916587998
+   0.216221204139835
+   0.000000000000000
+   0.000000000000000
+   2.373462483972307
+  -0.927962753087420
+   0.000000000000000
+   0.000000000000000
+   1.365321421895682
+  -0.409536564749270
+   0.000000000000000
+   0.000000000000000
+CYS
+   0.000000000000000
+   0.250084847353610
+  -0.186158505094081
+  -0.504688747570979
+   1.218679171649523
+  -2.089734050079038
+   2.302365702770721
+  -0.532502145482045
+  -1.596421505165690
+   1.270543992159271
+   0.174687212656861
+  -0.599374829819892
+   0.222101519622321
+PRO
+   0.000000000000000
+  -0.787986560945931
+  -0.345208426278326
+  -1.111524460354935
+   0.530324242079397
+  -1.548870000000000
+   1.914370000000000
+   0.664143000000000
+  -0.454839000000000
+   0.448705912966141
+   0.346799067155216
+   0.311804899416344
+   0.230482726984751
diff --git a/PARAM/fourier_opt_iter0_7prot-eps_ext.parm b/PARAM/fourier_opt_iter0_7prot-eps_ext.parm
new file mode 120000 (symlink)
index 0000000..f8c9195
--- /dev/null
+++ b/PARAM/fourier_opt_iter0_7prot-eps_ext.parm
@@ -0,0 +1 @@
+fourier_opt_iter0_7prot-eps.parm
\ No newline at end of file
diff --git a/PARAM/fourier_opt_iter1_7p_old-ext.parm b/PARAM/fourier_opt_iter1_7p_old-ext.parm
new file mode 100644 (file)
index 0000000..9d56cf7
--- /dev/null
+++ b/PARAM/fourier_opt_iter1_7p_old-ext.parm
@@ -0,0 +1,43 @@
+    3     # Number of local interaction types
+GLY
+   0.000000000000000
+   0.070239791890956
+   0.154774586038994
+   0.000000000000000
+   0.000000000000000
+   2.373462483972307
+  -0.927962753087420
+   0.000000000000000
+   0.000000000000000
+   1.207111166017071
+  -0.423426658629534
+   0.000000000000000
+   0.000000000000000
+CYS
+   0.000000000000000
+   0.162605930883984
+  -0.155038583599996
+  -0.379179599804111
+   0.877343784713785
+  -2.089734050079038
+   2.302365702770721
+  -0.532502145482045
+  -1.596421505165690
+   1.103073588017826
+   0.135309538862199
+  -0.531934805398088
+   0.190122600663365
+PRO
+   0.000000000000000
+  -0.289717618286122
+  -0.528390668944120
+  -1.238980747749160
+   0.734554995107759
+  -1.548870000000000
+   1.914370000000000
+   0.664143000000000
+  -0.454839000000000
+   0.518449425013450
+   0.467837713174136
+   0.027294575400355
+   0.173636570360447
diff --git a/PARAM/fourier_opt_iter1_7p_old.parm b/PARAM/fourier_opt_iter1_7p_old.parm
new file mode 100644 (file)
index 0000000..9d56cf7
--- /dev/null
+++ b/PARAM/fourier_opt_iter1_7p_old.parm
@@ -0,0 +1,43 @@
+    3     # Number of local interaction types
+GLY
+   0.000000000000000
+   0.070239791890956
+   0.154774586038994
+   0.000000000000000
+   0.000000000000000
+   2.373462483972307
+  -0.927962753087420
+   0.000000000000000
+   0.000000000000000
+   1.207111166017071
+  -0.423426658629534
+   0.000000000000000
+   0.000000000000000
+CYS
+   0.000000000000000
+   0.162605930883984
+  -0.155038583599996
+  -0.379179599804111
+   0.877343784713785
+  -2.089734050079038
+   2.302365702770721
+  -0.532502145482045
+  -1.596421505165690
+   1.103073588017826
+   0.135309538862199
+  -0.531934805398088
+   0.190122600663365
+PRO
+   0.000000000000000
+  -0.289717618286122
+  -0.528390668944120
+  -1.238980747749160
+   0.734554995107759
+  -1.548870000000000
+   1.914370000000000
+   0.664143000000000
+  -0.454839000000000
+   0.518449425013450
+   0.467837713174136
+   0.027294575400355
+   0.173636570360447
diff --git a/PARAM/rotamers_AM1_aura_ext.10022007.parm b/PARAM/rotamers_AM1_aura_ext.10022007.parm
new file mode 100644 (file)
index 0000000..cadca80
--- /dev/null
+++ b/PARAM/rotamers_AM1_aura_ext.10022007.parm
@@ -0,0 +1,1520 @@
+cys
+2.516050
+1.519290
+-0.549712
+-1.031160
+1.143970
+2.488560
+-1.092110
+2.234960
+-0.755595
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+-1.171220
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+-1.599100
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+-2.507130
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+-0.956779
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+1.266100
+-0.870809
+1.513010
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+-1.570990
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+-0.195562
+-1.682240
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+-1.225100
+0.323175
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+-0.723040
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+3.425880
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+-0.480555
+-0.215172
+0.837321
+0.729540
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+1.774070
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+0.754533
+-0.516837
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+-1.071330
+1.017270
+-0.714900
+-0.956747
+-0.565657
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+0.416137
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+-0.577227
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+leu
+1.680740
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+-1.020490
+-4.442000
+1.740900
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+-1.447370
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+-0.556261
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diff --git a/PARAM/sc_GB_opt_ext.1gab_3S_qclass5no310-shan2-sc-16-10-8k b/PARAM/sc_GB_opt_ext.1gab_3S_qclass5no310-shan2-sc-16-10-8k
new file mode 100644 (file)
index 0000000..939c955
--- /dev/null
+++ b/PARAM/sc_GB_opt_ext.1gab_3S_qclass5no310-shan2-sc-16-10-8k
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diff --git a/PARAM/sc_GB_opt_ext.1gab_3S_qclass5no310-shan2-sc-16-10-8k_lip b/PARAM/sc_GB_opt_ext.1gab_3S_qclass5no310-shan2-sc-16-10-8k_lip
new file mode 100644 (file)
index 0000000..9708c27
--- /dev/null
+++ b/PARAM/sc_GB_opt_ext.1gab_3S_qclass5no310-shan2-sc-16-10-8k_lip
@@ -0,0 +1,244 @@
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diff --git a/PARAM/sc_GB_opt_iter0_7prot-eps.parm b/PARAM/sc_GB_opt_iter0_7prot-eps.parm
new file mode 100644 (file)
index 0000000..c18e501
--- /dev/null
+++ b/PARAM/sc_GB_opt_iter0_7prot-eps.parm
@@ -0,0 +1,74 @@
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diff --git a/PARAM/sc_GB_opt_iter0_7prot-eps_ext_lip.parm b/PARAM/sc_GB_opt_iter0_7prot-eps_ext_lip.parm
new file mode 100644 (file)
index 0000000..a4e97f6
--- /dev/null
+++ b/PARAM/sc_GB_opt_iter0_7prot-eps_ext_lip.parm
@@ -0,0 +1,248 @@
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+  -3.0057         3.505321       6.0636         3.5303
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+   3.824000       4.378585       3.785405       2.935082
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+  -0.1779        -3.4493         3.360749       4.211903
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+  -6.5557         2.905459       3.641304       4.530360
+   2.608049       2.608049
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+   2.252800       2.823350       3.512697       2.022197
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+   3.538400       4.402332       2.534345       2.534345
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+   5.477200       3.153127       3.153127
+
+   1.815200       1.815200
+
+   1.815200
+ 
diff --git a/PARAM/sc_GB_opt_iter1_7p_old-ext.parm b/PARAM/sc_GB_opt_iter1_7p_old-ext.parm
new file mode 120000 (symlink)
index 0000000..a746d60
--- /dev/null
+++ b/PARAM/sc_GB_opt_iter1_7p_old-ext.parm
@@ -0,0 +1 @@
+sc_GB_opt_iter1_7p_old-ext_lip.parm
\ No newline at end of file
diff --git a/PARAM/sc_GB_opt_iter1_7p_old-ext_lip.parm b/PARAM/sc_GB_opt_iter1_7p_old-ext_lip.parm
new file mode 100644 (file)
index 0000000..445ede8
--- /dev/null
+++ b/PARAM/sc_GB_opt_iter1_7p_old-ext_lip.parm
@@ -0,0 +1,245 @@
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diff --git a/PARAM/sc_GB_opt_iter1_7p_old.parm b/PARAM/sc_GB_opt_iter1_7p_old.parm
new file mode 100644 (file)
index 0000000..4ac5e74
--- /dev/null
+++ b/PARAM/sc_GB_opt_iter1_7p_old.parm
@@ -0,0 +1,74 @@
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diff --git a/PARAM/sccor_am1_pawel_ext.dat b/PARAM/sccor_am1_pawel_ext.dat
new file mode 100644 (file)
index 0000000..b190461
--- /dev/null
+++ b/PARAM/sccor_am1_pawel_ext.dat
@@ -0,0 +1,6002 @@
+20
+1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 2 3 11 10
+4 0 *********** SCCC-cys-cys
+     1                   -4.55603E-01       9.65298E-01
+     2                    1.95846E-01       3.64979E-02
+     3                    1.27866E-01      -3.36766E-02
+     4                   -7.49954E-02       5.32498E-02
+4 0 *********** SCCC-cys-met
+     1                   -4.71114E-01       7.60987E-01
+     2                    2.41181E-01      -1.03322E-01
+     3                    1.43073E-01      -2.21854E-02
+     4                   -2.93892E-02       1.08616E-02
+4 0 *********** SCCC-cys-phe
+     1                   -5.43396E-01       7.51679E-01
+     2                    2.52192E-01      -7.71157E-02
+     3                    1.40708E-01      -3.86572E-02
+     4                   -4.11594E-02       2.05621E-02
+4 0 *********** SCCC-cys-ile
+     1                   -4.15806E-01       8.73796E-01
+     2                    2.29085E-01      -1.02595E-01
+     3                    1.21883E-01      -9.13890E-03
+     4                   -2.22851E-02       1.91175E-02
+4 0 *********** SCCC-cys-leu
+     1                   -5.26311E-01       7.03011E-01
+     2                    2.80452E-01      -1.19168E-01
+     3                    1.34515E-01      -3.58673E-02
+     4                   -2.40376E-02       9.69179E-03
+4 0 *********** SCCC-cys-val
+     1                   -4.50652E-01       8.05820E-01
+     2                    2.48129E-01      -1.17441E-01
+     3                    1.28793E-01      -1.49132E-02
+     4                   -1.99449E-02       1.32748E-02
+4 0 *********** SCCC-cys-trp
+     1                   -4.95125E-01       8.17010E-01
+     2                    2.15768E-01      -6.24687E-02
+     3                    1.40598E-01      -2.33209E-02
+     4                   -4.46050E-02       1.94235E-02
+4 0 *********** SCCC-cys-tyr
+     1                   -5.34800E-01       7.50959E-01
+     2                    2.51394E-01      -8.01634E-02
+     3                    1.41953E-01      -3.79765E-02
+     4                   -4.01579E-02       2.01270E-02
+4 0 *********** SCCC-cys-ala
+     1                   -4.83889E-01       6.03960E-01
+     2                    2.55589E-01      -1.33319E-01
+     3                    1.49137E-01      -5.00761E-02
+     4                   -2.06741E-02       1.06316E-03
+4 0 *********** SCCC-cys-gly
+     1                    1.20094E+00       2.04058E-01
+     2                   -2.22725E-01       3.56473E-02
+     3                    3.83425E-02       1.81060E-02
+     4                    2.28548E-02       8.61259E-02
+4 0 *********** SCCC-cys-thr
+     1                   -3.77258E-01       7.85308E-01
+     2                    1.49953E-01      -7.25764E-03
+     3                    1.49630E-01      -3.22510E-02
+     4                   -4.07046E-02       2.90824E-02
+4 0 *********** SCCC-cys-ser
+     1                   -4.81540E-01       1.07811E+00
+     2                    2.09279E-01       9.45944E-02
+     3                    9.23704E-02      -2.88524E-02
+     4                   -1.02030E-01       6.70852E-02
+4 0 *********** SCCC-cys-gln
+     1                   -3.87554E-01       9.02705E-01
+     2                    1.74805E-01      -3.32422E-02
+     3                    1.45982E-01      -1.62072E-02
+     4                   -5.27937E-02       2.83693E-02
+4 0 *********** SCCC-cys-asn
+     1                   -3.70700E-01       9.94732E-01
+     2                    1.34714E-01       1.19083E-01
+     3                    1.16032E-01      -5.44814E-02
+     4                   -8.00815E-02       6.18519E-02
+4 0 *********** SCCC-cys-glu
+     1                   -4.29864E-01       9.28142E-01
+     2                    2.02016E-01      -2.67383E-02
+     3                    1.35661E-01      -2.12449E-02
+     4                   -5.61243E-02       3.68305E-02
+4 0 *********** SCCC-cys-asp
+     1                   -2.52349E-01       1.04564E+00
+     2                    7.83457E-02       9.28812E-02
+     3                    1.44901E-01      -1.95968E-02
+     4                   -9.85960E-02       4.74697E-02
+4 0 *********** SCCC-cys-his
+     1                   -4.66699E-01       1.01960E+00
+     2                    1.98413E-01       2.61999E-02
+     3                    1.09956E-01      -8.07657E-03
+     4                   -7.45758E-02       4.28546E-02
+4 0 *********** SCCC-cys-arg
+     1                   -4.30417E-01       7.40954E-01
+     2                    2.24651E-01      -1.22910E-01
+     3                    1.50932E-01      -2.40954E-02
+     4                   -2.74423E-02       8.27042E-03
+4 0 *********** SCCC-cys-lys
+     1                   -4.67892E-01       6.80128E-01
+     2                    2.62052E-01      -1.43745E-01
+     3                    1.37999E-01      -3.02356E-02
+     4                   -1.46706E-02       2.84023E-03
+4 0 *********** SCCC-cys-pro
+     1                   -7.02091E-01       1.00140E+00
+     2                    2.07932E-01       1.73568E-01
+     3                    1.52497E-01       4.91816E-02
+     4                   -1.66631E-01      -4.06736E-02
+4 0 *********** SCCC-met-cys
+     1                   -4.42033E-01       5.40221E-01
+     2                   -7.19269E-02      -5.83381E-02
+     3                    5.06300E-02       5.91374E-03
+     4                   -3.06477E-02       7.69493E-03
+4 0 *********** SCCC-met-met
+     1                   -3.80151E-01       4.08235E-01
+     2                   -1.32467E-02      -2.03466E-02
+     3                    2.32344E-02       1.47494E-02
+     4                   -2.18032E-02      -1.81317E-03
+4 0 *********** SCCC-met-phe
+     1                   -4.12081E-01       3.97153E-01
+     2                   -1.01234E-02      -2.48314E-02
+     3                    2.61280E-02       1.71898E-02
+     4                   -2.43607E-02      -2.72779E-03
+4 0 *********** SCCC-met-ile
+     1                   -3.70397E-01       4.83444E-01
+     2                   -3.81252E-02      -2.93627E-02
+     3                    2.84816E-02       6.10235E-03
+     4                   -2.03401E-02       3.65369E-03
+4 0 *********** SCCC-met-leu
+     1                   -3.84551E-01       3.68011E-01
+     2                    4.38518E-03      -1.18971E-02
+     3                    2.00069E-02       1.65791E-02
+     4                   -2.13427E-02      -2.57694E-03
+4 0 *********** SCCC-met-val
+     1                   -3.71389E-01       4.38942E-01
+     2                   -2.05676E-02      -2.22868E-02
+     3                    2.41561E-02       1.09053E-02
+     4                   -2.05373E-02       8.06848E-04
+4 0 *********** SCCC-met-trp
+     1                   -4.10891E-01       4.37976E-01
+     2                   -2.77981E-02      -3.48201E-02
+     3                    3.03730E-02       1.46661E-02
+     4                   -2.46401E-02      -1.20686E-03
+4 0 *********** SCCC-met-tyr
+     1                   -4.08076E-01       3.97592E-01
+     2                   -1.01833E-02      -2.39038E-02
+     3                    2.57854E-02       1.69156E-02
+     4                   -2.41161E-02      -2.56675E-03
+4 0 *********** SCCC-met-ala
+     1                   -3.54616E-01       3.02973E-01
+     2                    2.16168E-02      -3.67977E-04
+     3                    1.45739E-02       1.81415E-02
+     4                   -1.79436E-02      -3.96459E-03
+4 0 *********** SCCC-met-gly
+     1                    7.05567E-01       3.10084E-01
+     2                    1.25016E-01       2.75261E-02
+     3                    4.64330E-02       4.30485E-02
+     4                    7.31928E-04       3.22684E-02
+4 0 *********** SCCC-met-thr
+     1                   -3.77492E-01       4.31285E-01
+     2                   -3.91945E-02      -3.09277E-02
+     3                    2.78681E-02       1.16254E-02
+     4                   -2.06920E-02      -1.15606E-03
+4 0 *********** SCCC-met-ser
+     1                   -4.77373E-01       6.03159E-01
+     2                   -9.65197E-02      -8.07901E-02
+     3                    6.83339E-02       4.71440E-04
+     4                   -3.56763E-02       1.68021E-02
+4 0 *********** SCCC-met-gln
+     1                   -3.89750E-01       5.00505E-01
+     2                   -5.57875E-02      -4.01181E-02
+     3                    3.61437E-02       7.13884E-03
+     4                   -2.44424E-02       3.20141E-03
+4 0 *********** SCCC-met-asn
+     1                   -4.37272E-01       5.59017E-01
+     2                   -9.01724E-02      -6.36490E-02
+     3                    5.60663E-02       1.24581E-03
+     4                   -2.96767E-02       1.05188E-02
+4 0 *********** SCCC-met-glu
+     1                   -4.09213E-01       5.16766E-01
+     2                   -5.89015E-02      -4.48149E-02
+     3                    4.07367E-02       6.19682E-03
+     4                   -2.66186E-02       5.34112E-03
+4 0 *********** SCCC-met-asp
+     1                   -3.89525E-01       5.77519E-01
+     2                   -1.02402E-01      -5.64349E-02
+     3                    5.16894E-02      -3.22193E-03
+     4                   -2.65854E-02       1.07219E-02
+4 0 *********** SCCC-met-his
+     1                   -4.50410E-01       5.61700E-01
+     2                   -7.85717E-02      -6.63989E-02
+     3                    5.36455E-02       3.90730E-03
+     4                   -3.01252E-02       9.50125E-03
+4 0 *********** SCCC-met-arg
+     1                   -3.57078E-01       3.96667E-01
+     2                   -8.94391E-03      -1.59360E-02
+     3                    2.05189E-02       1.44722E-02
+     4                   -1.99195E-02      -1.46327E-03
+4 0 *********** SCCC-met-lys
+     1                   -3.54616E-01       3.55248E-01
+     2                    8.91179E-03      -7.06650E-03
+     3                    1.62862E-02       1.57910E-02
+     4                   -1.82233E-02      -2.25638E-03
+4 0 *********** SCCC-met-pro
+     1                   -6.09554E-01       5.47230E-01
+     2                   -6.90890E-02      -1.30340E-01
+     3                    6.56985E-02       3.67062E-02
+     4                   -4.53500E-02      -1.31158E-02
+4 0 *********** SCCC-phe-cys
+     1                   -4.62579E-01       4.10888E-01
+     2                   -2.26015E-01      -1.46696E-01
+     3                   -1.94976E-02      -1.11131E-01
+     4                   -5.01894E-02      -1.27132E-02
+4 0 *********** SCCC-phe-met
+     1                   -3.78872E-01       2.75711E-01
+     2                   -1.59495E-01      -4.07052E-02
+     3                   -7.52546E-02      -9.37566E-02
+     4                   -2.65095E-02      -3.99488E-02
+4 0 *********** SCCC-phe-phe
+     1                   -4.00143E-01       2.57150E-01
+     2                   -1.51048E-01      -5.67289E-02
+     3                   -7.24239E-02      -9.40932E-02
+     4                   -3.19414E-02      -3.87639E-02
+4 0 *********** SCCC-phe-ile
+     1                   -3.88149E-01       3.52969E-01
+     2                   -1.93576E-01      -5.53308E-02
+     3                   -6.39139E-02      -9.09914E-02
+     4                   -2.47252E-02      -2.93166E-02
+4 0 *********** SCCC-phe-leu
+     1                   -3.70079E-01       2.35036E-01
+     2                   -1.45513E-01      -2.07186E-02
+     3                   -9.01374E-02      -9.11654E-02
+     4                   -2.56875E-02      -4.08861E-02
+4 0 *********** SCCC-phe-val
+     1                   -3.77876E-01       3.07980E-01
+     2                   -1.74240E-01      -3.92289E-02
+     3                   -7.45993E-02      -9.02785E-02
+     4                   -2.30187E-02      -3.49072E-02
+4 0 *********** SCCC-phe-trp
+     1                   -4.12306E-01       2.98390E-01
+     2                   -1.65326E-01      -7.91134E-02
+     3                   -5.53723E-02      -9.47400E-02
+     4                   -3.33398E-02      -3.58108E-02
+4 0 *********** SCCC-phe-tyr
+     1                   -3.97064E-01       2.58593E-01
+     2                   -1.52086E-01      -5.41079E-02
+     3                   -7.35758E-02      -9.43540E-02
+     4                   -3.15097E-02      -3.87731E-02
+4 0 *********** SCCC-phe-ala
+     1                   -3.36157E-01       1.77519E-01
+     2                   -1.17424E-01       9.69066E-03
+     3                   -1.01062E-01      -8.78362E-02
+     4                   -2.22926E-02      -4.51096E-02
+4 0 *********** SCCC-phe-gly
+     1                    6.01182E-01       3.73727E-01
+     2                    3.30566E-01       4.52419E-02
+     3                    1.00750E-01      -6.31009E-02
+     4                    3.63753E-04       3.44768E-02
+4 0 *********** SCCC-phe-thr
+     1                   -3.95492E-01       3.00352E-01
+     2                   -1.60716E-01      -8.77644E-02
+     3                   -4.19793E-02      -9.88401E-02
+     4                   -2.69269E-02      -3.01506E-02
+4 0 *********** SCCC-phe-ser
+     1                   -5.09102E-01       4.86450E-01
+     2                   -2.67160E-01      -2.00589E-01
+     3                    1.62078E-02      -1.17665E-01
+     4                   -6.48941E-02       1.30471E-02
+4 0 *********** SCCC-phe-gln
+     1                   -4.13035E-01       3.70012E-01
+     2                   -1.99598E-01      -9.56424E-02
+     3                   -4.25024E-02      -1.02604E-01
+     4                   -3.86357E-02      -2.84432E-02
+4 0 *********** SCCC-phe-asn
+     1                   -4.74125E-01       4.37822E-01
+     2                   -2.34663E-01      -1.77057E-01
+     3                    4.97599E-04      -1.14090E-01
+     4                   -5.52800E-02      -2.01378E-03
+4 0 *********** SCCC-phe-glu
+     1                   -4.28227E-01       3.85340E-01
+     2                   -2.11873E-01      -1.05524E-01
+     3                   -4.15752E-02      -1.04415E-01
+     4                   -4.19641E-02      -2.34032E-02
+4 0 *********** SCCC-phe-asp
+     1                   -4.43901E-01       4.61468E-01
+     2                   -2.41169E-01      -1.58233E-01
+     3                   -2.36848E-03      -1.19346E-01
+     4                   -6.11572E-02      -6.37633E-03
+4 0 *********** SCCC-phe-his
+     1                   -4.75995E-01       4.33527E-01
+     2                   -2.35847E-01      -1.59983E-01
+     3                   -5.89940E-03      -1.10557E-01
+     4                   -4.73175E-02      -7.16909E-03
+4 0 *********** SCCC-phe-arg
+     1                   -3.59730E-01       2.67583E-01
+     2                   -1.52185E-01      -2.40627E-02
+     3                   -8.10757E-02      -8.94407E-02
+     4                   -2.49723E-02      -4.03733E-02
+4 0 *********** SCCC-phe-lys
+     1                   -3.46674E-01       2.28404E-01
+     2                   -1.39061E-01      -1.64743E-03
+     3                   -9.34945E-02      -8.62849E-02
+     4                   -1.92633E-02      -4.11896E-02
+4 0 *********** SCCC-phe-pro
+     1                   -6.17241E-01       4.52603E-01
+     2                   -1.85757E-01      -3.00525E-01
+     3                    7.35871E-02      -1.20146E-01
+     4                   -4.20338E-02      -8.11095E-02
+4 0 *********** SCCC-ile-cys
+     1                   -6.04603E-01       6.22953E-01
+     2                   -1.07202E-01      -9.11979E-02
+     3                    1.80581E-01      -5.32300E-02
+     4                   -5.33906E-02       2.69991E-02
+4 0 *********** SCCC-ile-met
+     1                   -4.98356E-01       4.32072E-01
+     2                   -8.68054E-03      -1.44039E-02
+     3                    9.97463E-02      -3.66053E-02
+     4                   -2.99125E-02      -1.76010E-03
+4 0 *********** SCCC-ile-phe
+     1                   -5.36203E-01       4.14006E-01
+     2                   -8.15075E-03      -1.25844E-02
+     3                    1.12158E-01      -3.54614E-02
+     4                   -3.86935E-02      -3.72408E-03
+4 0 *********** SCCC-ile-ile
+     1                   -4.98343E-01       5.32806E-01
+     2                   -4.01467E-02      -3.69391E-02
+     3                    1.01120E-01      -5.31072E-02
+     4                   -2.39305E-02       1.25986E-02
+4 0 *********** SCCC-ile-leu
+     1                   -4.98957E-01       3.77555E-01
+     2                    1.41813E-02       5.96541E-03
+     3                    9.45394E-02      -4.12774E-02
+     4                   -3.13142E-02      -1.96469E-03
+4 0 *********** SCCC-ile-val
+     1                   -4.92613E-01       4.72043E-01
+     2                   -1.58054E-02      -2.05223E-02
+     3                    9.47257E-02      -4.57798E-02
+     4                   -2.58082E-02       6.16207E-03
+4 0 *********** SCCC-ile-trp
+     1                   -5.40919E-01       4.71089E-01
+     2                   -3.11140E-02      -3.60351E-02
+     3                    1.19081E-01      -3.23843E-02
+     4                   -3.76778E-02      -8.72224E-04
+4 0 *********** SCCC-ile-tyr
+     1                   -5.31300E-01       4.14938E-01
+     2                   -7.95744E-03      -1.20449E-02
+     3                    1.10947E-01      -3.60107E-02
+     4                   -3.79362E-02      -3.40210E-03
+4 0 *********** SCCC-ile-ala
+     1                   -4.53534E-01       3.02214E-01
+     2                    3.54264E-02       2.04753E-02
+     3                    8.37150E-02      -3.51964E-02
+     4                   -2.54678E-02      -6.69398E-03
+4 0 *********** SCCC-ile-gly
+     1                    8.95801E-01       4.66810E-01
+     2                    2.18402E-01       6.07274E-02
+     3                    2.19337E-01       1.09960E-01
+     4                    4.59913E-02       9.51908E-02
+4 0 *********** SCCC-ile-thr
+     1                   -4.97030E-01       4.69824E-01
+     2                   -4.67561E-02      -4.01289E-02
+     3                    1.16124E-01      -2.32173E-02
+     4                   -3.33238E-02      -6.74730E-04
+4 0 *********** SCCC-ile-ser
+     1                   -6.82521E-01       7.46737E-01
+     2                   -1.66838E-01      -1.58009E-01
+     3                    2.50198E-01      -7.33204E-02
+     4                   -7.21986E-02       7.43273E-02
+4 0 *********** SCCC-ile-gln
+     1                   -5.25896E-01       5.61891E-01
+     2                   -7.20761E-02      -6.01625E-02
+     3                    1.32414E-01      -4.25460E-02
+     4                   -3.51978E-02       8.25566E-03
+4 0 *********** SCCC-ile-asn
+     1                   -6.07023E-01       6.64836E-01
+     2                   -1.42383E-01      -1.14830E-01
+     3                    2.05263E-01      -5.70534E-02
+     4                   -5.57412E-02       4.15312E-02
+4 0 *********** SCCC-ile-glu
+     1                   -5.54083E-01       5.82928E-01
+     2                   -7.96853E-02      -6.47652E-02
+     3                    1.44558E-01      -5.23117E-02
+     4                   -3.98567E-02       1.57250E-02
+4 0 *********** SCCC-ile-asp
+     1                   -5.50756E-01       6.98214E-01
+     2                   -1.58363E-01      -1.20098E-01
+     3                    1.94070E-01      -5.54957E-02
+     4                   -4.63837E-02       3.30493E-02
+4 0 *********** SCCC-ile-his
+     1                   -6.22802E-01       6.58897E-01
+     2                   -1.17083E-01      -1.10923E-01
+     3                    1.87541E-01      -5.44786E-02
+     4                   -5.27283E-02       3.60895E-02
+4 0 *********** SCCC-ile-arg
+     1                   -4.68316E-01       4.20180E-01
+     2                   -1.60693E-03      -1.14180E-02
+     3                    9.02561E-02      -3.53904E-02
+     4                   -2.60790E-02      -1.83804E-03
+4 0 *********** SCCC-ile-lys
+     1                   -4.60625E-01       3.66307E-01
+     2                    2.28230E-02       6.88499E-03
+     3                    8.09885E-02      -3.86622E-02
+     4                   -2.37433E-02      -8.00729E-04
+4 0 *********** SCCC-ile-pro
+     1                   -9.11814E-01       7.56200E-01
+     2                   -1.68031E-01      -3.15787E-01
+     3                    3.77243E-01       6.35252E-02
+     4                   -1.52893E-01       6.08670E-02
+4 0 *********** SCCC-leu-cys
+     1                   -5.92878E-01       2.63423E-01
+     2                   -4.46107E-01       1.45946E-02
+     3                    8.85691E-02       1.25335E-01
+     4                    3.46958E-03      -3.44148E-02
+4 0 *********** SCCC-leu-met
+     1                   -5.04044E-01       1.18074E-01
+     2                   -2.75735E-01       1.37015E-01
+     3                    1.80417E-02       1.20871E-01
+     4                   -1.96858E-02      -6.73149E-02
+4 0 *********** SCCC-leu-phe
+     1                   -5.23790E-01       7.82255E-02
+     2                   -3.03285E-01       1.12738E-01
+     3                    2.60212E-02       1.47188E-01
+     4                   -9.12905E-03      -6.95404E-02
+4 0 *********** SCCC-leu-ile
+     1                   -5.22824E-01       2.10748E-01
+     2                   -3.07049E-01       1.41478E-01
+     3                    4.78934E-02       8.75128E-02
+     4                   -2.40663E-02      -6.14111E-02
+4 0 *********** SCCC-leu-leu
+     1                   -4.96301E-01       5.48648E-02
+     2                   -2.65529E-01       1.68077E-01
+     3                    2.10832E-02       1.38336E-01
+     4                   -1.97833E-02      -7.72021E-02
+4 0 *********** SCCC-leu-val
+     1                   -5.09257E-01       1.53623E-01
+     2                   -2.82467E-01       1.55153E-01
+     3                    3.36493E-02       1.03923E-01
+     4                   -2.47317E-02      -6.84244E-02
+4 0 *********** SCCC-leu-trp
+     1                   -5.36915E-01       1.41614E-01
+     2                   -3.16123E-01       8.21513E-02
+     3                    3.10676E-02       1.28035E-01
+     4                   -1.05901E-02      -5.87549E-02
+4 0 *********** SCCC-leu-tyr
+     1                   -5.20832E-01       8.15940E-02
+     2                   -3.00203E-01       1.16652E-01
+     3                    2.49572E-02       1.45017E-01
+     4                   -1.03220E-02      -6.96037E-02
+4 0 *********** SCCC-leu-ala
+     1                   -4.53690E-01       1.60448E-02
+     2                   -2.01402E-01       1.80136E-01
+     3                   -6.40669E-03       1.38012E-01
+     4                   -2.27126E-02      -6.80365E-02
+4 0 *********** SCCC-leu-gly
+     1                    5.13032E-01       5.43657E-01
+     2                    4.85228E-01      -2.44057E-01
+     3                    6.72842E-02       1.86750E-01
+     4                   -1.00748E-02      -3.90944E-02
+4 0 *********** SCCC-leu-thr
+     1                   -5.11060E-01       1.84664E-01
+     2                   -2.91864E-01       4.05042E-02
+     3                    5.02939E-03       1.09568E-01
+     4                   -5.49041E-03      -4.27811E-02
+4 0 *********** SCCC-leu-ser
+     1                   -6.55966E-01       3.49434E-01
+     2                   -5.56569E-01      -4.24392E-02
+     3                    1.67513E-01       1.18900E-01
+     4                    1.08718E-02       3.65601E-03
+4 0 *********** SCCC-leu-gln
+     1                   -5.39982E-01       2.45285E-01
+     2                   -3.44086E-01       6.50880E-02
+     3                    4.03263E-02       1.00921E-01
+     4                   -1.28837E-02      -4.48029E-02
+4 0 *********** SCCC-leu-asn
+     1                   -6.07636E-01       3.30162E-01
+     2                   -4.72874E-01      -5.25555E-02
+     3                    1.03963E-01       1.19980E-01
+     4                    5.25450E-03      -4.88500E-03
+4 0 *********** SCCC-leu-glu
+     1                   -5.58718E-01       2.42544E-01
+     2                   -3.81869E-01       6.88831E-02
+     3                    6.30436E-02       1.09829E-01
+     4                   -9.56560E-03      -4.83048E-02
+4 0 *********** SCCC-leu-asp
+     1                   -5.76809E-01       3.97867E-01
+     2                   -4.25845E-01      -4.30068E-02
+     3                    7.14207E-02       8.60899E-02
+     4                   -5.73144E-03       1.54473E-03
+4 0 *********** SCCC-leu-his
+     1                   -6.10042E-01       2.93401E-01
+     2                   -4.60094E-01       7.29031E-03
+     3                    1.05630E-01       1.06369E-01
+     4                    2.94319E-03      -2.77707E-02
+4 0 *********** SCCC-leu-arg
+     1                   -4.84492E-01       1.24026E-01
+     2                   -2.41674E-01       1.50040E-01
+     3                    7.75272E-03       1.12210E-01
+     4                   -2.47593E-02      -6.27088E-02
+4 0 *********** SCCC-leu-lys
+     1                   -4.71699E-01       6.92459E-02
+     2                   -2.22373E-01       1.85162E-01
+     3                    8.73867E-03       1.19745E-01
+     4                   -2.71969E-02      -7.09850E-02
+4 0 *********** SCCC-leu-pro
+     1                   -7.44731E-01       2.85611E-01
+     2                   -5.87121E-01      -2.89125E-01
+     3                    1.11616E-01       2.21559E-01
+     4                   -2.15154E-02       3.19252E-02
+4 0 *********** SCCC-val-cys
+     1                   -6.37671E-01       4.29531E-01
+     2                   -3.54652E-01      -9.45011E-02
+     3                    1.30803E-01       5.39195E-02
+     4                    1.68066E-02      -5.89187E-03
+4 0 *********** SCCC-val-met
+     1                   -5.19785E-01       2.30211E-01
+     2                   -2.02858E-01       5.02491E-02
+     3                    3.89614E-02       5.37683E-02
+     4                    1.11168E-02      -3.69718E-02
+4 0 *********** SCCC-val-phe
+     1                   -5.44730E-01       2.00795E-01
+     2                   -2.15635E-01       3.21726E-02
+     3                    4.76527E-02       7.31636E-02
+     4                    1.53060E-02      -4.12280E-02
+4 0 *********** SCCC-val-ile
+     1                   -5.37729E-01       3.36320E-01
+     2                   -2.39123E-01       3.72545E-02
+     3                    6.13247E-02       2.26126E-02
+     4                    6.42153E-03      -2.79011E-02
+4 0 *********** SCCC-val-leu
+     1                   -5.08982E-01       1.69477E-01
+     2                   -1.85919E-01       8.01706E-02
+     3                    3.52565E-02       6.27795E-02
+     4                    1.04221E-02      -4.18706E-02
+4 0 *********** SCCC-val-val
+     1                   -5.22276E-01       2.71776E-01
+     2                   -2.11599E-01       5.73754E-02
+     3                    4.72046E-02       3.69249E-02
+     4                    6.29363E-03      -3.41850E-02
+4 0 *********** SCCC-val-trp
+     1                   -5.61184E-01       2.64153E-01
+     2                   -2.34313E-01      -3.03607E-04
+     3                    5.74963E-02       6.30770E-02
+     4                    1.37481E-02      -3.39654E-02
+4 0 *********** SCCC-val-tyr
+     1                   -5.41140E-01       2.02967E-01
+     2                   -2.14128E-01       3.53404E-02
+     3                    4.65146E-02       7.12986E-02
+     4                    1.48945E-02      -4.10807E-02
+4 0 *********** SCCC-val-ala
+     1                   -4.63528E-01       1.08009E-01
+     2                   -1.37427E-01       1.04421E-01
+     3                    1.47077E-02       6.60091E-02
+     4                    1.01403E-02      -3.82779E-02
+4 0 *********** SCCC-val-gly
+     1                    7.80222E-01       5.62809E-01
+     2                    4.98015E-01      -5.06927E-02
+     3                    1.96403E-01       1.85531E-01
+     4                    5.49617E-02       3.22318E-02
+4 0 *********** SCCC-val-thr
+     1                   -5.36024E-01       2.87204E-01
+     2                   -2.23081E-01      -2.57248E-02
+     3                    4.58625E-02       5.62526E-02
+     4                    1.49919E-02      -2.83341E-02
+4 0 *********** SCCC-val-ser
+     1                   -7.36521E-01       5.92936E-01
+     2                   -4.71167E-01      -2.09715E-01
+     3                    2.46981E-01       3.63319E-02
+     4                    2.49886E-03       7.07794E-02
+4 0 *********** SCCC-val-gln
+     1                   -5.67291E-01       3.71453E-01
+     2                   -2.74806E-01      -2.75425E-02
+     3                    7.39046E-02       4.04525E-02
+     4                    1.46551E-02      -2.27218E-02
+4 0 *********** SCCC-val-asn
+     1                   -6.64590E-01       5.01935E-01
+     2                   -3.89259E-01      -1.62453E-01
+     3                    1.66000E-01       5.45842E-02
+     4                    9.89117E-03       2.04990E-02
+4 0 *********** SCCC-val-glu
+     1                   -5.89071E-01       3.85900E-01
+     2                   -3.02715E-01      -3.38776E-02
+     3                    9.27025E-02       4.14834E-02
+     4                    1.51151E-02      -2.06967E-02
+4 0 *********** SCCC-val-asp
+     1                   -6.27245E-01       5.48540E-01
+     2                   -3.72164E-01      -1.46947E-01
+     3                    1.39515E-01       2.80768E-02
+     4                    1.64719E-02       1.88088E-02
+4 0 *********** SCCC-val-his
+     1                   -6.59237E-01       4.70083E-01
+     2                   -3.71977E-01      -1.13978E-01
+     3                    1.50304E-01       3.90954E-02
+     4                    1.44891E-02       8.97853E-03
+4 0 *********** SCCC-val-arg
+     1                   -4.97016E-01       2.25840E-01
+     2                   -1.78561E-01       6.55208E-02
+     3                    2.88421E-02       4.79617E-02
+     4                    7.81065E-03      -3.59868E-02
+4 0 *********** SCCC-val-lys
+     1                   -4.80377E-01       1.69852E-01
+     2                   -1.56685E-01       9.80185E-02
+     3                    2.38504E-02       5.07570E-02
+     4                    5.44637E-03      -3.75260E-02
+4 0 *********** SCCC-val-pro
+     1                   -9.65053E-01       6.96480E-01
+     2                   -4.20317E-01      -5.55247E-01
+     3                    3.34534E-01       1.03603E-01
+     4                   -1.90510E-01       1.26764E-01
+4 0 *********** SCCC-trp-cys
+     1                   -2.78524E-01       4.85646E-01
+     2                    6.41275E-02      -2.16323E-01
+     3                    3.18075E-02      -2.93624E-02
+     4                   -2.22648E-02       7.05087E-03
+4 0 *********** SCCC-trp-met
+     1                   -2.30591E-01       4.06685E-01
+     2                    3.77207E-02      -1.78384E-01
+     3                    1.43886E-02      -4.18351E-02
+     4                   -1.23092E-02       4.18442E-03
+4 0 *********** SCCC-trp-phe
+     1                   -2.60440E-01       4.03440E-01
+     2                    5.68400E-02      -1.80060E-01
+     3                    1.15195E-02      -3.96156E-02
+     4                   -1.25504E-02       3.13314E-03
+4 0 *********** SCCC-trp-ile
+     1                   -2.16552E-01       4.53965E-01
+     2                    2.09254E-02      -1.95954E-01
+     3                    2.14445E-02      -3.54838E-02
+     4                   -1.43223E-02       6.53411E-03
+4 0 *********** SCCC-trp-leu
+     1                   -2.39189E-01       3.84951E-01
+     2                    4.15813E-02      -1.76380E-01
+     3                    6.21918E-03      -4.42101E-02
+     4                   -1.02856E-02       3.23994E-03
+4 0 *********** SCCC-trp-val
+     1                   -2.20970E-01       4.27583E-01
+     2                    2.66601E-02      -1.87827E-01
+     3                    1.61804E-02      -3.85142E-02
+     4                   -1.25531E-02       4.99406E-03
+4 0 *********** SCCC-trp-trp
+     1                   -2.54225E-01       4.25270E-01
+     2                    5.31925E-02      -1.83758E-01
+     3                    1.94121E-02      -3.58574E-02
+     4                   -1.48848E-02       3.88371E-03
+4 0 *********** SCCC-trp-tyr
+     1                   -2.56868E-01       4.03337E-01
+     2                    5.45916E-02      -1.79887E-01
+     3                    1.15892E-02      -4.02659E-02
+     4                   -1.24425E-02       3.36618E-03
+4 0 *********** SCCC-trp-ala
+     1                   -2.17129E-01       3.33640E-01
+     2                    3.23038E-02      -1.51703E-01
+     3                   -1.01237E-03      -5.25382E-02
+     4                   -6.86667E-03       2.97654E-03
+4 0 *********** SCCC-trp-gly
+     1                    5.94221E-01       1.67050E-01
+     2                    6.49413E-02       2.51562E-01
+     3                    4.24071E-02       2.99356E-02
+     4                    7.25430E-04       2.69304E-02
+4 0 *********** SCCC-trp-thr
+     1                   -2.22689E-01       4.05291E-01
+     2                    4.89623E-02      -1.57996E-01
+     3                    2.17295E-02      -4.04462E-02
+     4                   -1.10784E-02       5.11588E-03
+4 0 *********** SCCC-trp-ser
+     1                   -3.09857E-01       5.25488E-01
+     2                    7.36706E-02      -2.46687E-01
+     3                    4.02618E-02      -1.84896E-02
+     4                   -2.98467E-02       7.31333E-03
+4 0 *********** SCCC-trp-gln
+     1                   -2.30145E-01       4.56534E-01
+     2                    3.82070E-02      -1.90604E-01
+     3                    2.79157E-02      -3.82039E-02
+     4                   -1.71306E-02       7.82471E-03
+4 0 *********** SCCC-trp-asn
+     1                   -2.69658E-01       4.83847E-01
+     2                    6.85080E-02      -2.04815E-01
+     3                    3.21313E-02      -3.18899E-02
+     4                   -2.04228E-02       7.53084E-03
+4 0 *********** SCCC-trp-glu
+     1                   -2.49321E-01       4.72181E-01
+     2                    4.47376E-02      -2.05998E-01
+     3                    2.81910E-02      -3.45353E-02
+     4                   -1.92147E-02       7.74112E-03
+4 0 *********** SCCC-trp-asp
+     1                   -2.19803E-01       4.83941E-01
+     2                    3.98107E-02      -1.88327E-01
+     3                    3.78892E-02      -4.46591E-02
+     4                   -1.94208E-02       1.40890E-02
+4 0 *********** SCCC-trp-his
+     1                   -2.83887E-01       5.00226E-01
+     2                    6.19914E-02      -2.25158E-01
+     3                    3.72174E-02      -2.30486E-02
+     4                   -2.49218E-02       6.60551E-03
+4 0 *********** SCCC-trp-arg
+     1                   -2.09871E-01       3.95271E-01
+     2                    2.57150E-02      -1.69532E-01
+     3                    1.21004E-02      -4.50086E-02
+     4                   -1.03571E-02       4.93005E-03
+4 0 *********** SCCC-trp-lys
+     1                   -2.12544E-01       3.71164E-01
+     2                    2.58459E-02      -1.66757E-01
+     3                    5.22659E-03      -4.62493E-02
+     4                   -8.27350E-03       3.41783E-03
+4 0 *********** SCCC-trp-pro
+     1                   -4.42199E-01       5.02993E-01
+     2                    1.65099E-01      -2.50806E-01
+     3                    5.62381E-02      -9.12310E-03
+     4                   -3.65576E-02       2.98371E-03
+4 0 *********** SCCC-tyr-cys
+     1                   -4.45048E-01       3.51850E-01
+     2                   -1.56000E-01      -2.07395E-01
+     3                    4.54257E-02      -1.13902E-01
+     4                   -2.94059E-02       1.01806E-02
+4 0 *********** SCCC-tyr-met
+     1                   -3.59076E-01       2.42112E-01
+     2                   -1.24780E-01      -1.04515E-01
+     3                   -7.86907E-03      -1.11506E-01
+     4                   -4.63654E-03      -1.08826E-02
+4 0 *********** SCCC-tyr-phe
+     1                   -3.77667E-01       2.25542E-01
+     2                   -1.12647E-01      -1.16054E-01
+     3                   -5.00073E-03      -1.11364E-01
+     4                   -1.03726E-02      -1.09456E-02
+4 0 *********** SCCC-tyr-ile
+     1                   -3.72246E-01       3.08265E-01
+     2                   -1.52206E-01      -1.24337E-01
+     3                   -4.21208E-04      -1.07332E-01
+     4                   -2.98009E-03      -1.72568E-03
+4 0 *********** SCCC-tyr-leu
+     1                   -3.48424E-01       2.08197E-01
+     2                   -1.17477E-01      -8.54272E-02
+     3                   -2.08894E-02      -1.14484E-01
+     4                   -2.97589E-03      -1.22439E-02
+4 0 *********** SCCC-tyr-val
+     1                   -3.60127E-01       2.70511E-01
+     2                   -1.38881E-01      -1.07027E-01
+     3                   -9.07811E-03      -1.09077E-01
+     4                   -1.42119E-03      -6.39666E-03
+4 0 *********** SCCC-tyr-trp
+     1                   -3.90987E-01       2.59420E-01
+     2                   -1.19812E-01      -1.36990E-01
+     3                    8.92199E-03      -1.06309E-01
+     4                   -1.31699E-02      -8.39469E-03
+4 0 *********** SCCC-tyr-tyr
+     1                   -3.74966E-01       2.26930E-01
+     2                   -1.14291E-01      -1.14163E-01
+     3                   -5.85492E-03      -1.11965E-01
+     4                   -9.72865E-03      -1.08598E-02
+4 0 *********** SCCC-tyr-ala
+     1                   -3.12234E-01       1.57801E-01
+     2                   -1.01142E-01      -5.08100E-02
+     3                   -3.20892E-02      -1.13819E-01
+     4                   -3.03066E-04      -1.71860E-02
+4 0 *********** SCCC-tyr-gly
+     1                    5.21249E-01       3.73505E-01
+     2                    2.77449E-01       1.38874E-01
+     3                    1.28523E-01      -1.16458E-02
+     4                    2.12469E-02       4.66123E-02
+4 0 *********** SCCC-tyr-thr
+     1                   -3.74902E-01       2.58212E-01
+     2                   -1.11953E-01      -1.38220E-01
+     3                    1.84392E-02      -1.01615E-01
+     4                   -1.27215E-02      -6.08377E-03
+4 0 *********** SCCC-tyr-ser
+     1                   -4.90127E-01       4.11518E-01
+     2                   -1.80164E-01      -2.59300E-01
+     3                    7.59210E-02      -1.14620E-01
+     4                   -4.35756E-02       2.91465E-02
+4 0 *********** SCCC-tyr-gln
+     1                   -3.96272E-01       3.19344E-01
+     2                   -1.46228E-01      -1.57896E-01
+     3                    2.24448E-02      -1.10761E-01
+     4                   -1.60657E-02      -1.82447E-03
+4 0 *********** SCCC-tyr-asn
+     1                   -4.55058E-01       3.69713E-01
+     2                   -1.55377E-01      -2.29677E-01
+     3                    6.06865E-02      -1.10740E-01
+     4                   -3.66774E-02       1.57932E-02
+4 0 *********** SCCC-tyr-glu
+     1                   -4.11987E-01       3.32970E-01
+     2                   -1.54730E-01      -1.70628E-01
+     3                    2.47803E-02      -1.14047E-01
+     4                   -1.83778E-02       2.69377E-03
+4 0 *********** SCCC-tyr-asp
+     1                   -4.27679E-01       3.89628E-01
+     2                   -1.67273E-01      -2.13504E-01
+     3                    5.99795E-02      -1.17236E-01
+     4                   -3.51338E-02       1.27111E-02
+4 0 *********** SCCC-tyr-his
+     1                   -4.57549E-01       3.69384E-01
+     2                   -1.61130E-01      -2.19712E-01
+     3                    5.49814E-02      -1.08614E-01
+     4                   -3.01313E-02       1.46920E-02
+4 0 *********** SCCC-tyr-arg
+     1                   -3.40333E-01       2.35484E-01
+     2                   -1.23496E-01      -8.78982E-02
+     3                   -1.48072E-02      -1.09426E-01
+     4                   -2.20178E-03      -1.20122E-02
+4 0 *********** SCCC-tyr-lys
+     1                   -3.25541E-01       2.02599E-01
+     2                   -1.17571E-01      -6.65914E-02
+     3                   -2.65377E-02      -1.10293E-01
+     4                    2.04292E-03      -1.28717E-02
+4 0 *********** SCCC-tyr-pro
+     1                   -5.63016E-01       3.51117E-01
+     2                   -8.02641E-02      -3.73003E-01
+     3                    1.39426E-01      -1.23307E-01
+     4                   -8.75532E-02      -7.51550E-02
+4 0 *********** SCCC-ala-cys
+     1                   -3.77726E-01       5.98890E-01
+     2                   -2.97365E-01       1.52563E-01
+     3                    2.45306E-01       9.87104E-02
+     4                   -3.32744E-02      -4.90398E-03
+4 0 *********** SCCC-ala-met
+     1                   -3.37099E-01       4.08982E-01
+     2                   -1.14201E-01       1.59266E-01
+     3                    2.01176E-01       1.30610E-01
+     4                   -4.51059E-02       1.97629E-03
+4 0 *********** SCCC-ala-phe
+     1                   -3.77173E-01       3.94631E-01
+     2                   -1.44796E-01       1.47119E-01
+     3                    2.25901E-01       1.43875E-01
+     4                   -4.94759E-02      -8.09483E-03
+4 0 *********** SCCC-ala-ile
+     1                   -3.08743E-01       5.00302E-01
+     2                   -1.42373E-01       1.83090E-01
+     3                    1.90801E-01       8.07317E-02
+     4                   -3.96607E-02       1.15764E-02
+4 0 *********** SCCC-ala-leu
+     1                   -3.52027E-01       3.52741E-01
+     2                   -9.00989E-02       1.67136E-01
+     3                    2.21634E-01       1.37574E-01
+     4                   -5.19605E-02      -2.58277E-03
+4 0 *********** SCCC-ala-val
+     1                   -3.20525E-01       4.42837E-01
+     2                   -1.13915E-01       1.75920E-01
+     3                    1.97451E-01       1.03258E-01
+     4                   -4.55199E-02       9.28782E-03
+4 0 *********** SCCC-ala-trp
+     1                   -3.65472E-01       4.53849E-01
+     2                   -1.72051E-01       1.40110E-01
+     3                    2.07740E-01       1.29915E-01
+     4                   -4.16369E-02      -2.77301E-03
+4 0 *********** SCCC-ala-tyr
+     1                   -3.72513E-01       3.94795E-01
+     2                   -1.40660E-01       1.49201E-01
+     3                    2.24346E-01       1.43019E-01
+     4                   -4.93708E-02      -7.27975E-03
+4 0 *********** SCCC-ala-ala
+     1                   -3.35311E-01       2.89927E-01
+     2                   -3.40832E-02       1.42388E-01
+     3                    1.94384E-01       1.32260E-01
+     4                   -4.40129E-02       6.83620E-03
+4 0 *********** SCCC-ala-gly
+     1                    8.22151E-01       1.90559E-01
+     2                    2.80038E-01      -3.33499E-01
+     3                    1.83010E-01       1.85465E-01
+     4                    1.76027E-02       1.47276E-02
+4 0 *********** SCCC-ala-thr
+     1                   -3.33347E-01       4.61786E-01
+     2                   -1.71559E-01       1.22081E-01
+     3                    1.67931E-01       1.38621E-01
+     4                   -3.43815E-02      -4.49115E-03
+4 0 *********** SCCC-ala-ser
+     1                   -4.06949E-01       7.14967E-01
+     2                   -4.06057E-01       1.53751E-01
+     3                    2.89739E-01       4.70485E-02
+     4                   -1.53989E-02       3.02970E-03
+4 0 *********** SCCC-ala-gln
+     1                   -3.26276E-01       5.37287E-01
+     2                   -2.01614E-01       1.55365E-01
+     3                    1.92868E-01       1.08395E-01
+     4                   -3.12948E-02      -7.08043E-05
+4 0 *********** SCCC-ala-asn
+     1                   -3.75404E-01       6.51825E-01
+     2                   -3.45384E-01       1.30874E-01
+     3                    2.45000E-01       9.04840E-02
+     4                   -2.17245E-02      -7.23659E-05
+4 0 *********** SCCC-ala-glu
+     1                   -3.43866E-01       5.54211E-01
+     2                   -2.28051E-01       1.66137E-01
+     3                    2.18724E-01       9.82461E-02
+     4                   -3.50013E-02      -1.14697E-03
+4 0 *********** SCCC-ala-asp
+     1                   -3.12738E-01       6.68777E-01
+     2                   -3.05225E-01       1.41344E-01
+     3                    1.92434E-01       9.72087E-02
+     4                   -9.11393E-03      -8.32133E-03
+4 0 *********** SCCC-ala-his
+     1                   -3.76833E-01       6.34999E-01
+     2                   -3.15185E-01       1.55491E-01
+     3                    2.33508E-01       7.55190E-02
+     4                   -2.55150E-02      -1.56111E-03
+4 0 *********** SCCC-ala-arg
+     1                   -3.16390E-01       3.97000E-01
+     2                   -8.43265E-02       1.56751E-01
+     3                    1.90132E-01       1.26901E-01
+     4                   -4.23054E-02       7.02945E-03
+4 0 *********** SCCC-ala-lys
+     1                   -3.22229E-01       3.43068E-01
+     2                   -5.16360E-02       1.65308E-01
+     3                    1.99295E-01       1.28740E-01
+     4                   -4.76730E-02       7.50734E-03
+4 0 *********** SCCC-ala-pro
+     1                   -5.56238E-01       6.96095E-01
+     2                   -5.44022E-01       4.66789E-04
+     3                    3.39968E-01       2.04296E-01
+     4                   -8.56865E-03       7.00255E-02
+4 0 *********** SCCC-gly-cys
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-met
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-phe
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-ile
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-leu
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-val
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-trp
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-tyr
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-ala
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-thr
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-ser
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-gln
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-asn
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-glu
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-asp
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-his
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-arg
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-lys
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-gly-pro
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCC-thr-cys
+     1                   -4.90024E-01       4.99375E-01
+     2                   -2.61455E-01       3.68842E-01
+     3                    1.46841E-01      -4.96766E-02
+     4                   -6.38052E-02       9.61894E-03
+4 0 *********** SCCC-thr-met
+     1                   -4.61647E-01       3.24030E-01
+     2                   -5.21712E-02       3.12550E-01
+     3                    1.12628E-01       1.92250E-02
+     4                   -7.86351E-02       3.52093E-02
+4 0 *********** SCCC-thr-phe
+     1                   -5.02279E-01       2.89948E-01
+     2                   -8.82445E-02       3.22638E-01
+     3                    1.43670E-01       1.65575E-02
+     4                   -8.61400E-02       2.09730E-02
+4 0 *********** SCCC-thr-ile
+     1                   -4.39048E-01       4.23823E-01
+     2                   -7.03309E-02       3.37190E-01
+     3                    8.91131E-02      -1.89793E-02
+     4                   -7.23148E-02       4.60728E-02
+4 0 *********** SCCC-thr-leu
+     1                   -4.82373E-01       2.57188E-01
+     2                   -2.08155E-02       3.29115E-01
+     3                    1.30920E-01       1.96853E-02
+     4                   -8.86284E-02       3.57762E-02
+4 0 *********** SCCC-thr-val
+     1                   -4.50873E-01       3.61471E-01
+     2                   -4.26064E-02       3.28680E-01
+     3                    1.00254E-01      -8.35167E-04
+     4                   -7.82746E-02       4.47010E-02
+4 0 *********** SCCC-thr-trp
+     1                   -4.86353E-01       3.59613E-01
+     2                   -1.21384E-01       3.08268E-01
+     3                    1.26119E-01       7.29395E-03
+     4                   -7.52840E-02       2.30441E-02
+4 0 *********** SCCC-thr-tyr
+     1                   -4.97418E-01       2.92414E-01
+     2                   -8.32210E-02       3.22340E-01
+     3                    1.40823E-01       1.72882E-02
+     4                   -8.55928E-02       2.26879E-02
+4 0 *********** SCCC-thr-ala
+     1                   -4.54346E-01       2.04123E-01
+     2                    2.90041E-02       2.84000E-01
+     3                    1.20336E-01       4.83944E-02
+     4                   -7.64249E-02       3.42573E-02
+4 0 *********** SCCC-thr-gly
+     1                    7.28446E-01       3.43991E-01
+     2                    1.15445E-01      -5.45032E-01
+     3                    2.09564E-01      -1.56868E-02
+     4                   -2.74504E-02       5.70935E-02
+4 0 *********** SCCC-thr-thr
+     1                   -4.38661E-01       3.94990E-01
+     2                   -1.41118E-01       2.56087E-01
+     3                    9.83967E-02       2.83491E-02
+     4                   -5.71865E-02       1.25208E-02
+4 0 *********** SCCC-thr-ser
+     1                   -5.14363E-01       6.01150E-01
+     2                   -3.83309E-01       4.28468E-01
+     3                    1.70922E-01      -1.32749E-01
+     4                   -3.71082E-02      -6.03075E-03
+4 0 *********** SCCC-thr-gln
+     1                   -4.41395E-01       4.65881E-01
+     2                   -1.55335E-01       3.14635E-01
+     3                    1.02257E-01      -6.64029E-03
+     4                   -6.18051E-02       2.89429E-02
+4 0 *********** SCCC-thr-asn
+     1                   -4.72320E-01       5.74738E-01
+     2                   -3.35595E-01       3.41979E-01
+     3                    1.46187E-01      -6.66184E-02
+     4                   -3.67170E-02       3.49577E-03
+4 0 *********** SCCC-thr-glu
+     1                   -4.62449E-01       4.68203E-01
+     2                   -1.76282E-01       3.50327E-01
+     3                    1.19657E-01      -2.73218E-02
+     4                   -6.87305E-02       2.78182E-02
+4 0 *********** SCCC-thr-asp
+     1                   -4.08611E-01       6.38711E-01
+     2                   -3.01493E-01       3.03020E-01
+     3                    1.00627E-01      -4.21641E-02
+     4                   -2.20284E-02       1.95056E-02
+4 0 *********** SCCC-thr-his
+     1                   -4.92681E-01       5.36284E-01
+     2                   -2.78324E-01       3.74692E-01
+     3                    1.33112E-01      -7.34918E-02
+     4                   -5.65971E-02       1.01269E-02
+4 0 *********** SCCC-thr-arg
+     1                   -4.38676E-01       3.23477E-01
+     2                   -2.00344E-02       2.91896E-01
+     3                    9.97282E-02       2.83136E-02
+     4                   -7.14757E-02       3.99299E-02
+4 0 *********** SCCC-thr-lys
+     1                   -4.49493E-01       2.63701E-01
+     2                    2.00045E-02       3.02440E-01
+     3                    1.06750E-01       2.81631E-02
+     4                   -7.80944E-02       4.32498E-02
+4 0 *********** SCCC-thr-pro
+     1                   -6.16861E-01       5.06683E-01
+     2                   -5.59323E-01       3.36619E-01
+     3                    2.94052E-01      -2.36924E-03
+     4                   -4.94889E-02      -7.00470E-03
+4 0 *********** SCCC-ser-cys
+     1                   -6.14117E-01       1.22660E+00
+     2                    3.23261E-01       7.23900E-02
+     3                    2.41012E-01       4.97487E-03
+     4                   -2.49760E-02       9.82312E-02
+4 0 *********** SCCC-ser-met
+     1                   -7.07862E-01       9.52492E-01
+     2                    4.09950E-01      -2.20340E-01
+     3                    2.88134E-01       5.89095E-02
+     4                    7.10558E-03       2.29656E-02
+4 0 *********** SCCC-ser-phe
+     1                   -8.29809E-01       9.37670E-01
+     2                    4.27039E-01      -1.78466E-01
+     3                    2.74963E-01       2.72161E-02
+     4                   -8.49620E-03       4.09213E-02
+4 0 *********** SCCC-ser-ile
+     1                   -6.59256E-01       1.11401E+00
+     2                    4.22297E-01      -2.32032E-01
+     3                    2.53826E-01       8.84966E-02
+     4                    2.36811E-02       2.29557E-02
+4 0 *********** SCCC-ser-leu
+     1                   -8.26008E-01       8.81905E-01
+     2                    4.94684E-01      -2.48984E-01
+     3                    2.57634E-01       4.86923E-02
+     4                    1.86146E-02       1.20043E-02
+4 0 *********** SCCC-ser-val
+     1                   -7.12861E-01       1.02145E+00
+     2                    4.48908E-01      -2.56107E-01
+     3                    2.61644E-01       8.33860E-02
+     4                    2.22000E-02       1.47398E-02
+4 0 *********** SCCC-ser-trp
+     1                   -7.35939E-01       1.02731E+00
+     2                    3.56372E-01      -1.55509E-01
+     3                    2.80891E-01       4.49671E-02
+     4                   -1.09244E-02       4.27441E-02
+4 0 *********** SCCC-ser-tyr
+     1                   -8.13365E-01       9.36889E-01
+     2                    4.24170E-01      -1.83317E-01
+     3                    2.79732E-01       2.92346E-02
+     4                   -8.21499E-03       3.97292E-02
+4 0 *********** SCCC-ser-ala
+     1                   -6.94355E-01       7.47595E-01
+     2                    4.01523E-01      -2.42266E-01
+     3                    3.03588E-01       3.89900E-03
+     4                    7.86446E-03       2.13287E-02
+4 0 *********** SCCC-ser-gly
+     1                    1.77164E+00       3.10725E-01
+     2                   -5.85324E-01      -7.31660E-02
+     3                   -1.01387E-01      -4.59069E-02
+     4                    1.34316E-01       8.63920E-02
+4 0 *********** SCCC-ser-thr
+     1                   -4.84627E-01       9.53395E-01
+     2                    2.17104E-01      -2.83582E-02
+     3                    2.94659E-01       6.90198E-03
+     4                   -1.19554E-02       7.05146E-02
+4 0 *********** SCCC-ser-ser
+     1                   -6.21312E-01       1.49267E+00
+     2                    3.92170E-01       3.28443E-01
+     3                    4.93930E-02       3.05009E-02
+     4                   -6.14712E-02       1.08455E-01
+4 0 *********** SCCC-ser-gln
+     1                   -5.33111E-01       1.14069E+00
+     2                    2.83721E-01      -9.01366E-02
+     3                    3.01803E-01       4.71410E-02
+     4                   -1.19502E-02       5.74736E-02
+4 0 *********** SCCC-ser-asn
+     1                   -3.84750E-01       1.32124E+00
+     2                    1.61357E-01       2.77083E-01
+     3                    2.03604E-01      -4.29290E-02
+     4                   -4.13240E-02       1.18300E-01
+4 0 *********** SCCC-ser-glu
+     1                   -6.14153E-01       1.17658E+00
+     2                    3.45757E-01      -7.75638E-02
+     3                    2.75174E-01       4.37628E-02
+     4                   -7.45559E-03       6.14123E-02
+4 0 *********** SCCC-ser-asp
+     1                   -1.86171E-01       1.47209E+00
+     2                    7.09682E-02       2.36619E-01
+     3                    2.43295E-01       5.22303E-02
+     4                   -7.72583E-02       7.89627E-02
+4 0 *********** SCCC-ser-his
+     1                   -6.69450E-01       1.34906E+00
+     2                    3.61362E-01       5.03783E-02
+     3                    1.78236E-01       7.50658E-02
+     4                   -2.01136E-02       7.16205E-02
+4 0 *********** SCCC-ser-arg
+     1                   -6.37662E-01       9.32217E-01
+     2                    3.70289E-01      -2.52955E-01
+     3                    3.15748E-01       5.65638E-02
+     4                   -4.68488E-03       2.00131E-02
+4 0 *********** SCCC-ser-lys
+     1                   -7.09024E-01       8.53952E-01
+     2                    4.41752E-01      -2.78632E-01
+     3                    2.81905E-01       5.04275E-02
+     4                    1.69044E-02       1.04063E-02
+4 0 *********** SCCC-ser-pro
+     1                   -9.67425E-01       1.39575E+00
+     2                    4.11182E-01       6.44769E-01
+     3                    1.03654E-01       1.95730E-02
+     4                   -1.72233E-01       9.52962E-02
+4 0 *********** SCCC-gln-cys
+     1                   -1.34193E-01       6.95126E-01
+     2                    1.36249E-01      -1.25291E-01
+     3                   -4.39939E-02       1.41835E-02
+     4                   -3.51733E-02       1.31322E-02
+4 0 *********** SCCC-gln-met
+     1                   -1.40747E-01       5.93268E-01
+     2                    9.50158E-02      -1.57052E-01
+     3                   -3.29856E-02      -3.69531E-03
+     4                   -3.20695E-02       1.00777E-03
+4 0 *********** SCCC-gln-phe
+     1                   -1.85231E-01       6.00285E-01
+     2                    1.17086E-01      -1.55367E-01
+     3                   -4.40100E-02      -1.46880E-04
+     4                   -2.94278E-02      -5.55207E-04
+4 0 *********** SCCC-gln-ile
+     1                   -9.10324E-02       6.44284E-01
+     2                    8.31625E-02      -1.60026E-01
+     3                   -2.21222E-02       1.02181E-02
+     4                   -3.45467E-02       4.52397E-03
+4 0 *********** SCCC-gln-leu
+     1                   -1.75889E-01       5.70684E-01
+     2                    1.03674E-01      -1.74521E-01
+     3                   -4.09702E-02      -8.32933E-04
+     4                   -2.97803E-02      -3.97702E-03
+4 0 *********** SCCC-gln-val
+     1                   -1.17794E-01       6.14597E-01
+     2                    8.70584E-02      -1.66263E-01
+     3                   -2.69350E-02       4.96618E-03
+     4                   -3.28492E-02       6.00545E-04
+4 0 *********** SCCC-gln-trp
+     1                   -1.53299E-01       6.24973E-01
+     2                    1.08601E-01      -1.40354E-01
+     3                   -3.62284E-02      -1.33675E-05
+     4                   -3.25877E-02       3.49419E-03
+4 0 *********** SCCC-gln-tyr
+     1                   -1.80419E-01       5.98660E-01
+     2                    1.14837E-01      -1.55866E-01
+     3                   -4.31960E-02      -8.29990E-04
+     4                   -2.94669E-02      -2.09085E-04
+4 0 *********** SCCC-gln-ala
+     1                   -1.72648E-01       5.03529E-01
+     2                    8.54986E-02      -1.66546E-01
+     3                   -4.37300E-02      -1.74088E-02
+     4                   -2.66354E-02      -3.54927E-03
+4 0 *********** SCCC-gln-gly
+     1                    7.68867E-01      -4.83872E-02
+     2                   -5.98158E-02       1.93480E-01
+     3                   -5.95897E-02       8.53053E-04
+     4                   -2.02137E-02       2.28224E-02
+4 0 *********** SCCC-gln-thr
+     1                   -1.03983E-01       5.91488E-01
+     2                    9.45148E-02      -9.78836E-02
+     3                   -3.46218E-02      -1.91000E-02
+     4                   -2.38546E-02       7.09047E-03
+4 0 *********** SCCC-gln-ser
+     1                   -1.49127E-01       7.45891E-01
+     2                    1.58965E-01      -1.33384E-01
+     3                   -4.81319E-02       3.50647E-02
+     4                   -4.05732E-02       1.50022E-02
+4 0 *********** SCCC-gln-gln
+     1                   -8.96216E-02       6.51434E-01
+     2                    9.66373E-02      -1.23163E-01
+     3                   -2.96888E-02      -1.83816E-03
+     4                   -3.51919E-02       1.35639E-02
+4 0 *********** SCCC-gln-asn
+     1                   -1.04911E-01       6.91553E-01
+     2                    1.37545E-01      -8.88920E-02
+     3                   -5.17290E-02       6.11594E-03
+     4                   -3.12069E-02       1.68626E-02
+4 0 *********** SCCC-gln-glu
+     1                   -1.10601E-01       6.73042E-01
+     2                    1.11771E-01      -1.36486E-01
+     3                   -3.39155E-02       9.31456E-03
+     4                   -3.62744E-02       1.23069E-02
+4 0 *********** SCCC-gln-asp
+     1                   -2.98098E-02       6.82432E-01
+     2                    1.00861E-01      -6.79492E-02
+     3                   -3.73643E-02      -1.07486E-02
+     4                   -3.56411E-02       3.22553E-02
+4 0 *********** SCCC-gln-his
+     1                   -1.32299E-01       7.16173E-01
+     2                    1.32475E-01      -1.31555E-01
+     3                   -3.64503E-02       2.25037E-02
+     4                   -3.97687E-02       1.09480E-02
+4 0 *********** SCCC-gln-arg
+     1                   -1.19110E-01       5.73573E-01
+     2                    7.84065E-02      -1.55219E-01
+     3                   -2.99762E-02      -1.01147E-02
+     4                   -2.99750E-02       3.08938E-03
+4 0 *********** SCCC-gln-lys
+     1                   -1.45598E-01       5.45942E-01
+     2                    8.13527E-02      -1.73132E-01
+     3                   -3.41550E-02      -7.35472E-03
+     4                   -2.87123E-02      -3.80024E-03
+4 0 *********** SCCC-gln-pro
+     1                   -2.90448E-01       7.30120E-01
+     2                    2.27678E-01      -9.03995E-02
+     3                   -7.91464E-02       1.76609E-03
+     4                   -6.82776E-02      -3.21575E-02
+4 0 *********** SCCC-asn-cys
+     1                   -1.62150E-01       9.56855E-01
+     2                    3.46774E-01       6.06181E-02
+     3                   -2.48439E-03      -1.07124E-01
+     4                   -1.93826E-02      -5.75492E-03
+4 0 *********** SCCC-asn-met
+     1                   -2.65641E-01       7.96242E-01
+     2                    2.76915E-01      -1.64132E-01
+     3                    5.36865E-02      -1.30750E-01
+     4                    6.16549E-03      -4.87446E-02
+4 0 *********** SCCC-asn-phe
+     1                   -3.43347E-01       7.96600E-01
+     2                    3.02311E-01      -1.26055E-01
+     3                    3.07028E-02      -1.49390E-01
+     4                    9.55578E-03      -3.33538E-02
+4 0 *********** SCCC-asn-ile
+     1                   -1.76683E-01       8.81392E-01
+     2                    2.91790E-01      -1.55566E-01
+     3                    3.48252E-02      -8.64962E-02
+     4                    8.49137E-03      -5.88552E-02
+4 0 *********** SCCC-asn-leu
+     1                   -3.48201E-01       7.56475E-01
+     2                    3.06465E-01      -2.02490E-01
+     3                    3.34965E-02      -1.42360E-01
+     4                    1.40298E-02      -5.24899E-02
+4 0 *********** SCCC-asn-val
+     1                   -2.35641E-01       8.31220E-01
+     2                    2.90214E-01      -1.84412E-01
+     3                    4.13827E-02      -1.06222E-01
+     4                    1.25033E-02      -5.92918E-02
+4 0 *********** SCCC-asn-trp
+     1                   -2.66358E-01       8.45706E-01
+     2                    2.78264E-01      -8.90219E-02
+     3                    4.03001E-02      -1.27723E-01
+     4                    1.20405E-03      -3.48995E-02
+4 0 *********** SCCC-asn-tyr
+     1                   -3.34660E-01       7.94759E-01
+     2                    2.99689E-01      -1.31033E-01
+     3                    3.36287E-02      -1.49084E-01
+     4                    9.12004E-03      -3.43792E-02
+4 0 *********** SCCC-asn-ala
+     1                   -3.30662E-01       6.69391E-01
+     2                    2.48345E-01      -2.23211E-01
+     3                    5.77542E-02      -1.72134E-01
+     4                    3.82538E-03      -4.57734E-02
+4 0 *********** SCCC-asn-gly
+     1                    1.10894E+00      -1.29810E-01
+     2                   -4.78939E-01       7.85185E-02
+     3                   -7.36233E-02      -1.00234E-01
+     4                    2.99417E-02      -9.03175E-03
+4 0 *********** SCCC-asn-thr
+     1                   -1.51014E-01       8.07619E-01
+     2                    2.17752E-01      -1.99694E-02
+     3                    7.28192E-02      -1.41545E-01
+     4                    3.57693E-03      -7.97927E-03
+4 0 *********** SCCC-asn-ser
+     1                   -1.31708E-01       1.06546E+00
+     2                    4.34947E-01       1.74209E-01
+     3                   -7.78470E-02      -4.52594E-02
+     4                   -4.85106E-02       1.14087E-02
+4 0 *********** SCCC-asn-gln
+     1                   -1.21385E-01       8.99405E-01
+     2                    2.65511E-01      -4.19733E-02
+     3                    5.20222E-02      -1.10583E-01
+     4                   -1.46111E-02      -2.96657E-02
+4 0 *********** SCCC-asn-asn
+     1                   -5.08046E-02       9.88061E-01
+     2                    3.16621E-01       1.83519E-01
+     3                   -1.77269E-02      -1.06868E-01
+     4                   -4.05749E-02       1.86697E-02
+4 0 *********** SCCC-asn-glu
+     1                   -1.57210E-01       9.22129E-01
+     2                    3.11531E-01      -3.52836E-02
+     3                    2.48361E-02      -1.04413E-01
+     4                   -1.10658E-02      -3.04204E-02
+4 0 *********** SCCC-asn-asp
+     1                    9.55026E-02       1.01758E+00
+     2                    2.48931E-01       1.71751E-01
+     3                    3.33383E-02      -7.99290E-02
+     4                   -7.93974E-02       1.49526E-02
+4 0 *********** SCCC-asn-his
+     1                   -1.50728E-01       1.00865E+00
+     2                    3.59980E-01       6.26670E-02
+     3                   -1.59120E-02      -6.06809E-02
+     4                   -2.20277E-02      -1.97543E-02
+4 0 *********** SCCC-asn-arg
+     1                   -2.31193E-01       7.75213E-01
+     2                    2.43046E-01      -1.87487E-01
+     3                    6.78871E-02      -1.37402E-01
+     4                    8.71368E-04      -4.71793E-02
+4 0 *********** SCCC-asn-lys
+     1                   -2.94462E-01       7.32113E-01
+     2                    2.65544E-01      -2.33553E-01
+     3                    5.34956E-02      -1.38595E-01
+     4                    1.06220E-02      -5.66873E-02
+4 0 *********** SCCC-asn-pro
+     1                   -3.40017E-01       1.01307E+00
+     2                    4.38875E-01       3.77154E-01
+     3                   -3.01538E-02      -1.07491E-01
+     4                   -1.02658E-01      -4.59325E-02
+4 0 *********** SCCC-glu-cys
+     1                   -1.75028E-01       7.93185E-01
+     2                    1.39923E-01      -1.97325E-01
+     3                    5.11717E-03      -4.48841E-02
+     4                   -2.09619E-02       4.12788E-03
+4 0 *********** SCCC-glu-met
+     1                   -1.73920E-01       6.75570E-01
+     2                    9.16265E-02      -2.19977E-01
+     3                    5.01779E-03      -6.20543E-02
+     4                   -1.83131E-02      -7.12865E-03
+4 0 *********** SCCC-glu-phe
+     1                   -2.26687E-01       6.83802E-01
+     2                    1.18721E-01      -2.18522E-01
+     3                   -5.53577E-03      -5.69417E-02
+     4                   -1.52122E-02      -7.95138E-03
+4 0 *********** SCCC-glu-ile
+     1                   -1.22022E-01       7.37308E-01
+     2                    7.53497E-02      -2.28979E-01
+     3                    1.52193E-02      -4.74620E-02
+     4                   -2.20326E-02      -5.38584E-03
+4 0 *********** SCCC-glu-leu
+     1                   -2.13868E-01       6.50347E-01
+     2                    1.02371E-01      -2.38147E-01
+     3                   -6.84325E-03      -5.99558E-02
+     4                   -1.60185E-02      -1.25296E-02
+4 0 *********** SCCC-glu-val
+     1                   -1.50483E-01       7.02101E-01
+     2                    8.11514E-02      -2.33310E-01
+     3                    9.48777E-03      -5.28115E-02
+     4                   -1.98443E-02      -8.59830E-03
+4 0 *********** SCCC-glu-trp
+     1                   -1.90709E-01       7.12034E-01
+     2                    1.08397E-01      -2.03549E-01
+     3                    5.93232E-03      -5.50367E-02
+     4                   -1.87646E-02      -3.46632E-03
+4 0 *********** SCCC-glu-tyr
+     1                   -2.20808E-01       6.81845E-01
+     2                    1.15825E-01      -2.18922E-01
+     3                   -4.88019E-03      -5.82385E-02
+     4                   -1.52258E-02      -7.67458E-03
+4 0 *********** SCCC-glu-ala
+     1                   -2.02807E-01       5.71139E-01
+     2                    8.14762E-02      -2.19988E-01
+     3                   -1.40082E-02      -7.89186E-02
+     4                   -1.19888E-02      -1.04592E-02
+4 0 *********** SCCC-glu-gly
+     1                    8.97790E-01      -2.27123E-02
+     2                   -2.62402E-02       2.74987E-01
+     3                    7.65727E-03       1.24542E-02
+     4                   -1.52370E-02       8.04106E-03
+4 0 *********** SCCC-glu-thr
+     1                   -1.26316E-01       6.66038E-01
+     2                    9.50929E-02      -1.45733E-01
+     3                    6.48408E-03      -7.28985E-02
+     4                   -7.56382E-03       2.86168E-03
+4 0 *********** SCCC-glu-ser
+     1                   -2.03413E-01       8.58359E-01
+     2                    1.66860E-01      -2.20439E-01
+     3                    6.60586E-03      -2.01982E-02
+     4                   -2.94999E-02       3.44116E-03
+4 0 *********** SCCC-glu-gln
+     1                   -1.16987E-01       7.41144E-01
+     2                    9.21413E-02      -1.86101E-01
+     3                    1.45002E-02      -6.22335E-02
+     4                   -2.07142E-02       5.13481E-03
+4 0 *********** SCCC-glu-asn
+     1                   -1.34928E-01       7.81608E-01
+     2                    1.43251E-01      -1.48459E-01
+     3                   -4.90144E-03      -5.56245E-02
+     4                   -1.31215E-02       7.87766E-03
+4 0 *********** SCCC-glu-glu
+     1                   -1.45328E-01       7.68498E-01
+     2                    1.09251E-01      -2.06419E-01
+     3                    1.10565E-02      -5.13099E-02
+     4                   -2.27145E-02       2.62237E-03
+4 0 *********** SCCC-glu-asp
+     1                   -4.44767E-02       7.71662E-01
+     2                    9.57822E-02      -1.23086E-01
+     3                    1.18016E-02      -7.93886E-02
+     4                   -1.81803E-02       2.32727E-02
+4 0 *********** SCCC-glu-his
+     1                   -1.77390E-01       8.22192E-01
+     2                    1.35512E-01      -2.10222E-01
+     3                    1.66831E-02      -3.09861E-02
+     4                   -2.79671E-02       2.59738E-03
+4 0 *********** SCCC-glu-arg
+     1                   -1.46782E-01       6.52472E-01
+     2                    7.13978E-02      -2.14584E-01
+     3                    5.11771E-03      -7.00618E-02
+     4                   -1.59487E-02      -4.55723E-03
+4 0 *********** SCCC-glu-lys
+     1                   -1.76250E-01       6.21346E-01
+     2                    7.58678E-02      -2.33049E-01
+     3                   -2.59398E-03      -6.66189E-02
+     4                   -1.48581E-02      -1.15323E-02
+4 0 *********** SCCC-glu-pro
+     1                   -3.72547E-01       8.37364E-01
+     2                    2.71202E-01      -1.95828E-01
+     3                   -7.88203E-03      -1.39372E-02
+     4                   -6.89503E-02      -3.81628E-02
+4 0 *********** SCCC-asp-cys
+     1                    6.89146E-03       9.62901E-01
+     2                    2.89389E-01       2.34632E-01
+     3                    6.71682E-02      -1.58876E-01
+     4                    9.88754E-02       9.45503E-03
+4 0 *********** SCCC-asp-met
+     1                   -1.63376E-01       7.49125E-01
+     2                    2.66037E-01      -2.98849E-02
+     3                    1.20566E-01      -1.84298E-01
+     4                    1.11529E-01      -1.32414E-02
+4 0 *********** SCCC-asp-phe
+     1                   -2.29384E-01       7.55678E-01
+     2                    2.61144E-01       6.87120E-03
+     3                    1.08042E-01      -2.08570E-01
+     4                    1.11254E-01       9.27824E-04
+4 0 *********** SCCC-asp-ile
+     1                   -5.28974E-02       8.29422E-01
+     2                    2.91790E-01       4.88933E-03
+     3                    9.00759E-02      -1.52680E-01
+     4                    1.19320E-01      -2.24447E-02
+4 0 *********** SCCC-asp-leu
+     1                   -2.40931E-01       7.02691E-01
+     2                    2.86859E-01      -6.60185E-02
+     3                    1.08285E-01      -2.05115E-01
+     4                    1.14096E-01      -1.03636E-02
+4 0 *********** SCCC-asp-val
+     1                   -1.21797E-01       7.76321E-01
+     2                    2.86876E-01      -3.45549E-02
+     3                    1.02586E-01      -1.70534E-01
+     4                    1.19843E-01      -1.94708E-02
+4 0 *********** SCCC-asp-trp
+     1                   -1.54704E-01       8.11497E-01
+     2                    2.42768E-01       4.74845E-02
+     3                    1.07068E-01      -1.83322E-01
+     4                    1.08048E-01      -4.05058E-03
+4 0 *********** SCCC-asp-tyr
+     1                   -2.22323E-01       7.53145E-01
+     2                    2.62355E-01       1.71466E-03
+     3                    1.10226E-01      -2.07274E-01
+     4                    1.11028E-01      -4.76266E-04
+4 0 *********** SCCC-asp-ala
+     1                   -2.58419E-01       6.24448E-01
+     2                    2.47257E-01      -1.18176E-01
+     3                    1.31675E-01      -2.10078E-01
+     4                    8.96703E-02      -1.46616E-02
+4 0 *********** SCCC-asp-gly
+     1                    1.11938E+00      -4.79483E-01
+     2                   -5.39968E-01      -2.59984E-01
+     3                   -4.20150E-02      -6.95953E-02
+     4                    6.07620E-02      -6.31520E-03
+4 0 *********** SCCC-asp-thr
+     1                   -7.14183E-02       7.90607E-01
+     2                    1.99141E-01       8.39682E-02
+     3                    1.38223E-01      -1.56640E-01
+     4                    8.44660E-02       6.23549E-03
+4 0 *********** SCCC-asp-ser
+     1                    1.48522E-01       1.14542E+00
+     2                    3.41212E-01       4.51183E-01
+     3                   -4.27583E-02      -8.22659E-02
+     4                    4.58009E-02       1.89451E-02
+4 0 *********** SCCC-asp-gln
+     1                   -3.80731E-03       8.76195E-01
+     2                    2.52369E-01       1.02246E-01
+     3                    1.12769E-01      -1.53550E-01
+     4                    9.98621E-02      -1.12339E-02
+4 0 *********** SCCC-asp-asn
+     1                    1.22758E-01       1.04207E+00
+     2                    2.53169E-01       3.63126E-01
+     3                    3.65086E-02      -1.26146E-01
+     4                    5.72966E-02       1.44893E-02
+4 0 *********** SCCC-asp-glu
+     1                   -1.60424E-02       8.99494E-01
+     2                    2.84138E-01       1.27096E-01
+     3                    9.00957E-02      -1.62470E-01
+     4                    1.09158E-01      -7.72673E-03
+4 0 *********** SCCC-asp-asp
+     1                    2.59374E-01       1.06658E+00
+     2                    2.34343E-01       3.50566E-01
+     3                    7.94228E-02      -7.82301E-02
+     4                    3.04771E-02       3.42785E-03
+4 0 *********** SCCC-asp-his
+     1                    4.14244E-02       1.01882E+00
+     2                    3.00553E-01       2.68657E-01
+     3                    3.96480E-02      -1.19962E-01
+     4                    9.49039E-02       8.52413E-03
+4 0 *********** SCCC-asp-arg
+     1                   -1.43057E-01       7.27323E-01
+     2                    2.47012E-01      -6.37525E-02
+     3                    1.29984E-01      -1.81607E-01
+     4                    9.96790E-02      -1.96414E-02
+4 0 *********** SCCC-asp-lys
+     1                   -2.06415E-01       6.77904E-01
+     2                    2.68843E-01      -1.08164E-01
+     3                    1.19636E-01      -1.89430E-01
+     4                    1.04245E-01      -1.92013E-02
+4 0 *********** SCCC-asp-pro
+     1                   -1.38898E-01       1.27123E+00
+     2                    1.99963E-01       7.69688E-01
+     3                    1.91683E-01      -3.21063E-01
+     4                   -1.48049E-01       2.78634E-01
+4 0 *********** SCCC-his-cys
+     1                   -3.69345E-01       1.02232E+00
+     2                    2.73396E-01      -1.37066E-01
+     3                    5.51468E-02      -1.69168E-01
+     4                   -7.02196E-02       2.82981E-02
+4 0 *********** SCCC-his-met
+     1                   -3.81561E-01       8.61414E-01
+     2                    2.24917E-01      -2.76206E-01
+     3                    6.00277E-02      -1.65478E-01
+     4                   -4.49430E-02      -4.76821E-02
+4 0 *********** SCCC-his-phe
+     1                   -4.68949E-01       8.57245E-01
+     2                    2.62629E-01      -2.41380E-01
+     3                    4.20567E-02      -1.82999E-01
+     4                   -4.95250E-02      -3.34942E-02
+4 0 *********** SCCC-his-ile
+     1                   -3.28031E-01       9.70230E-01
+     2                    2.22628E-01      -3.00284E-01
+     3                    4.74535E-02      -1.22181E-01
+     4                   -3.95713E-02      -4.37272E-02
+4 0 *********** SCCC-his-leu
+     1                   -4.56076E-01       8.14821E-01
+     2                    2.65737E-01      -2.99845E-01
+     3                    2.74991E-02      -1.75545E-01
+     4                   -3.45093E-02      -5.38870E-02
+4 0 *********** SCCC-his-val
+     1                   -3.66815E-01       9.09384E-01
+     2                    2.32540E-01      -3.08934E-01
+     3                    4.54471E-02      -1.39055E-01
+     4                   -3.53282E-02      -5.26108E-02
+4 0 *********** SCCC-his-trp
+     1                   -4.04562E-01       9.12636E-01
+     2                    2.29576E-01      -2.23804E-01
+     3                    6.41183E-02      -1.61855E-01
+     4                   -5.73424E-02      -3.13866E-02
+4 0 *********** SCCC-his-tyr
+     1                   -4.58121E-01       8.55671E-01
+     2                    2.57802E-01      -2.45122E-01
+     3                    4.46526E-02      -1.83509E-01
+     4                   -4.96869E-02      -3.37290E-02
+4 0 *********** SCCC-his-ala
+     1                   -3.95989E-01       7.05652E-01
+     2                    2.07209E-01      -2.84327E-01
+     3                    4.39849E-02      -2.13866E-01
+     4                   -4.07812E-02      -5.09985E-02
+4 0 *********** SCCC-his-gly
+     1                    1.25852E+00       1.76141E-01
+     2                   -2.77315E-01       3.24357E-01
+     3                    4.54429E-02      -7.91989E-02
+     4                    1.99718E-02       4.65286E-02
+4 0 *********** SCCC-his-thr
+     1                   -2.58759E-01       8.49473E-01
+     2                    1.63800E-01      -1.27977E-01
+     3                    9.93722E-02      -1.98211E-01
+     4                   -4.68005E-02       1.04977E-03
+4 0 *********** SCCC-his-ser
+     1                   -4.42381E-01       1.12152E+00
+     2                    3.64904E-01      -1.17923E-01
+     3                    1.22945E-02      -1.22412E-01
+     4                   -8.14961E-02       5.24886E-02
+4 0 *********** SCCC-his-gln
+     1                   -2.74803E-01       9.71741E-01
+     2                    1.86757E-01      -1.96807E-01
+     3                    9.06279E-02      -1.60756E-01
+     4                   -7.07205E-02      -7.42647E-03
+4 0 *********** SCCC-his-asn
+     1                   -2.59373E-01       1.01077E+00
+     2                    2.37818E-01      -1.69224E-02
+     3                    5.04090E-02      -2.04248E-01
+     4                   -6.44461E-02       6.27076E-02
+4 0 *********** SCCC-his-glu
+     1                   -3.34689E-01       1.00225E+00
+     2                    2.34058E-01      -2.08542E-01
+     3                    6.62179E-02      -1.52845E-01
+     4                   -6.77561E-02      -2.88808E-03
+4 0 *********** SCCC-his-asp
+     1                   -1.13489E-01       1.05146E+00
+     2                    1.36018E-01      -4.44790E-02
+     3                    1.26749E-01      -1.82384E-01
+     4                   -1.23555E-01       6.77906E-02
+4 0 *********** SCCC-his-his
+     1                   -3.94646E-01       1.08754E+00
+     2                    2.91579E-01      -1.75765E-01
+     3                    5.16481E-02      -1.10558E-01
+     4                   -7.10761E-02       5.27062E-03
+4 0 *********** SCCC-his-arg
+     1                   -3.30066E-01       8.37721E-01
+     2                    1.84874E-01      -2.86796E-01
+     3                    7.31266E-02      -1.74279E-01
+     4                   -5.31747E-02      -4.43825E-02
+4 0 *********** SCCC-his-lys
+     1                   -3.81706E-01       7.86125E-01
+     2                    2.18531E-01      -3.16421E-01
+     3                    4.33274E-02      -1.75276E-01
+     4                   -3.24525E-02      -5.78990E-02
+4 0 *********** SCCC-his-pro
+     1                   -7.30659E-01       1.01721E+00
+     2                    4.71006E-01       1.74010E-02
+     3                    6.27875E-02      -1.49403E-01
+     4                   -1.64736E-01       2.55952E-02
+4 0 *********** SCCC-arg-cys
+     1                   -4.73342E-01       2.53493E-01
+     2                   -1.04818E-01      -1.89795E-02
+     3                    7.72408E-02       4.49749E-02
+     4                   -7.40174E-02       1.81466E-04
+4 0 *********** SCCC-arg-met
+     1                   -4.05113E-01       1.78167E-01
+     2                   -6.21818E-02       2.92029E-02
+     3                    4.53693E-02       3.55998E-02
+     4                   -5.40860E-02      -8.65102E-03
+4 0 *********** SCCC-arg-phe
+     1                   -4.23597E-01       1.58949E-01
+     2                   -6.66038E-02       2.47021E-02
+     3                    5.03868E-02       4.11327E-02
+     4                   -5.78930E-02      -1.16976E-02
+4 0 *********** SCCC-arg-ile
+     1                   -4.15299E-01       2.35567E-01
+     2                   -7.24346E-02       2.09376E-02
+     3                    5.24164E-02       2.56747E-02
+     4                   -5.30972E-02       2.01269E-03
+4 0 *********** SCCC-arg-leu
+     1                   -3.98462E-01       1.45644E-01
+     2                   -5.52901E-02       4.37980E-02
+     3                    4.47608E-02       3.54917E-02
+     4                   -5.30811E-02      -9.74845E-03
+4 0 *********** SCCC-arg-val
+     1                   -4.06142E-01       2.03001E-01
+     2                   -6.40740E-02       3.03356E-02
+     3                    4.75051E-02       2.89481E-02
+     4                   -5.20303E-02      -2.96945E-03
+4 0 *********** SCCC-arg-trp
+     1                   -4.32196E-01       1.90354E-01
+     2                   -7.31097E-02       1.01073E-02
+     3                    5.22349E-02       4.08552E-02
+     4                   -5.90120E-02      -1.00659E-02
+4 0 *********** SCCC-arg-tyr
+     1                   -4.21075E-01       1.60625E-01
+     2                   -6.61055E-02       2.56922E-02
+     3                    4.99396E-02       4.05342E-02
+     4                   -5.75701E-02      -1.11830E-02
+4 0 *********** SCCC-arg-ala
+     1                   -3.62189E-01       1.07613E-01
+     2                   -3.86273E-02       5.48172E-02
+     3                    3.46412E-02       3.64830E-02
+     4                   -4.69961E-02      -1.27651E-02
+4 0 *********** SCCC-arg-gly
+     1                    4.00182E-01       4.17668E-01
+     2                    1.17543E-01      -2.63219E-02
+     3                    3.09356E-02       8.67132E-02
+     4                   -2.98912E-02       6.19530E-02
+4 0 *********** SCCC-arg-thr
+     1                   -4.09575E-01       1.99549E-01
+     2                   -7.32878E-02      -1.88423E-03
+     3                    4.29009E-02       4.11909E-02
+     4                   -5.15602E-02      -1.08618E-02
+4 0 *********** SCCC-arg-ser
+     1                   -5.05874E-01       2.84182E-01
+     2                   -1.22501E-01      -3.54938E-02
+     3                    9.70116E-02       4.64495E-02
+     4                   -8.46584E-02       8.18824E-03
+4 0 *********** SCCC-arg-gln
+     1                   -4.32396E-01       2.43546E-01
+     2                   -8.51436E-02      -2.74496E-03
+     3                    5.82585E-02       3.79556E-02
+     4                   -6.26550E-02      -2.04682E-03
+4 0 *********** SCCC-arg-asn
+     1                   -4.75275E-01       2.70643E-01
+     2                   -1.13187E-01      -3.66262E-02
+     3                    8.06719E-02       4.89900E-02
+     4                   -7.54243E-02       1.54695E-03
+4 0 *********** SCCC-arg-glu
+     1                   -4.47872E-01       2.47488E-01
+     2                   -9.19302E-02      -2.85206E-03
+     3                    6.66418E-02       3.77559E-02
+     4                   -6.67127E-02       9.88276E-04
+4 0 *********** SCCC-arg-asp
+     1                   -4.50217E-01       3.01442E-01
+     2                   -1.09243E-01      -3.98998E-02
+     3                    7.44890E-02       4.61206E-02
+     4                   -7.56613E-02       6.91330E-03
+4 0 *********** SCCC-arg-his
+     1                   -4.81948E-01       2.64773E-01
+     2                   -1.06189E-01      -2.30736E-02
+     3                    7.85526E-02       4.26425E-02
+     4                   -7.31967E-02       7.22995E-04
+4 0 *********** SCCC-arg-arg
+     1                   -3.87081E-01       1.77815E-01
+     2                   -5.42853E-02       3.40488E-02
+     3                    4.03228E-02       3.28638E-02
+     4                   -5.03760E-02      -6.84053E-03
+4 0 *********** SCCC-arg-lys
+     1                   -3.75245E-01       1.46792E-01
+     2                   -4.51987E-02       4.94359E-02
+     3                    3.73444E-02       3.13716E-02
+     4                   -4.69384E-02      -8.52284E-03
+4 0 *********** SCCC-arg-pro
+     1                   -5.95886E-01       2.06751E-01
+     2                   -8.81570E-02      -8.15618E-02
+     3                    7.14983E-02       1.19196E-01
+     4                   -9.18050E-02      -5.95070E-02
+4 0 *********** SCCC-lys-cys
+     1                   -5.47372E-01       3.16605E-01
+     2                   -2.87129E-01      -4.87277E-02
+     3                    6.85147E-02       7.82231E-02
+     4                   -2.52364E-02       4.46998E-03
+4 0 *********** SCCC-lys-met
+     1                   -4.60087E-01       1.84547E-01
+     2                   -1.81462E-01       5.61335E-02
+     3                    1.04843E-02       7.62134E-02
+     4                   -2.33361E-02      -2.58159E-02
+4 0 *********** SCCC-lys-phe
+     1                   -4.80395E-01       1.59179E-01
+     2                   -1.92525E-01       3.81188E-02
+     3                    1.47921E-02       9.02307E-02
+     4                   -2.21454E-02      -2.78217E-02
+4 0 *********** SCCC-lys-ile
+     1                   -4.74587E-01       2.65560E-01
+     2                   -2.07996E-01       5.01665E-02
+     3                    3.24299E-02       5.54556E-02
+     4                   -2.36470E-02      -1.53426E-02
+4 0 *********** SCCC-lys-leu
+     1                   -4.50611E-01       1.36362E-01
+     2                   -1.69617E-01       7.94878E-02
+     3                    7.67290E-03       8.55450E-02
+     4                   -2.33045E-02      -3.10951E-02
+4 0 *********** SCCC-lys-val
+     1                   -4.62113E-01       2.17145E-01
+     2                   -1.88623E-01       6.44282E-02
+     3                    2.02094E-02       6.54751E-02
+     4                   -2.39116E-02      -2.27431E-02
+4 0 *********** SCCC-lys-trp
+     1                   -4.93534E-01       2.07583E-01
+     2                   -2.05569E-01       1.39425E-02
+     3                    2.22329E-02       8.05416E-02
+     4                   -2.31722E-02      -2.09946E-02
+4 0 *********** SCCC-lys-tyr
+     1                   -4.77446E-01       1.61184E-01
+     2                   -1.91261E-01       4.10369E-02
+     3                    1.41410E-02       8.90870E-02
+     4                   -2.22685E-02      -2.77056E-02
+4 0 *********** SCCC-lys-ala
+     1                   -4.11165E-01       8.80741E-02
+     2                   -1.28881E-01       9.94373E-02
+     3                   -1.00122E-02       8.75506E-02
+     4                   -2.35571E-02      -3.16775E-02
+4 0 *********** SCCC-lys-gly
+     1                    5.25954E-01       4.79788E-01
+     2                    3.34916E-01      -8.65974E-02
+     3                    4.33983E-02       1.24438E-01
+     4                   -4.31657E-04       3.26861E-02
+4 0 *********** SCCC-lys-thr
+     1                   -4.71676E-01       2.27090E-01
+     2                   -1.95394E-01      -8.01890E-03
+     3                    9.16728E-03       7.08142E-02
+     4                   -1.90784E-02      -1.71305E-02
+4 0 *********** SCCC-lys-ser
+     1                   -5.98217E-01       3.88338E-01
+     2                   -3.47037E-01      -9.79754E-02
+     3                    1.20162E-01       7.50527E-02
+     4                   -3.17903E-02       3.51891E-02
+4 0 *********** SCCC-lys-gln
+     1                   -4.96946E-01       2.88272E-01
+     2                   -2.31370E-01      -2.69509E-03
+     3                    3.46963E-02       6.54058E-02
+     4                   -2.40756E-02      -7.89120E-03
+4 0 *********** SCCC-lys-asn
+     1                   -5.59296E-01       3.57317E-01
+     2                   -3.04425E-01      -9.17428E-02
+     3                    8.18186E-02       7.82304E-02
+     4                   -2.80689E-02       1.91804E-02
+4 0 *********** SCCC-lys-glu
+     1                   -5.13847E-01       2.95140E-01
+     2                   -2.52457E-01      -6.09678E-03
+     3                    4.88495E-02       6.92841E-02
+     4                   -2.43858E-02      -5.26692E-03
+4 0 *********** SCCC-lys-asp
+     1                   -5.31340E-01       3.98318E-01
+     2                   -2.85858E-01      -8.13740E-02
+     3                    6.60168E-02       6.04862E-02
+     4                   -2.90134E-02       2.37989E-02
+4 0 *********** SCCC-lys-his
+     1                   -5.61080E-01       3.38925E-01
+     2                   -2.96162E-01      -5.72318E-02
+     3                    7.95857E-02       6.88026E-02
+     4                   -2.57550E-02       1.00336E-02
+4 0 *********** SCCC-lys-arg
+     1                   -4.40771E-01       1.83017E-01
+     2                   -1.61779E-01       6.94934E-02
+     3                    3.89153E-03       7.17533E-02
+     4                   -2.44256E-02      -2.49766E-02
+4 0 *********** SCCC-lys-lys
+     1                   -4.26222E-01       1.38297E-01
+     2                   -1.45744E-01       9.62439E-02
+     3                    1.82849E-04       7.59947E-02
+     4                   -2.42978E-02      -2.99072E-02
+4 0 *********** SCCC-lys-pro
+     1                   -6.87509E-01       3.29153E-01
+     2                   -3.35348E-01      -2.51436E-01
+     3                    9.98007E-02       1.67332E-01
+     4                   -6.37424E-02       2.57929E-02
+4 0 *********** SCCC-pro-cys
+     1                    4.82339E-01       1.42614E+00
+     2                    2.73463E-03      -2.46321E-01
+     3                   -7.23621E-02      -1.95558E-01
+     4                    4.91904E-02      -1.21700E-01
+4 0 *********** SCCC-pro-met
+     1                    1.68794E-01       1.23060E+00
+     2                   -2.47973E-01      -3.80756E-01
+     3                   -4.89137E-02      -2.85234E-01
+     4                    7.05047E-02      -3.45015E-02
+4 0 *********** SCCC-pro-phe
+     1                    7.60068E-02       1.33126E+00
+     2                   -2.43027E-01      -4.13656E-01
+     3                   -4.27590E-02      -2.69401E-01
+     4                    8.27960E-02      -4.00862E-02
+4 0 *********** SCCC-pro-ile
+     1                    3.32850E-01       1.34111E+00
+     2                   -2.82477E-01      -3.67684E-01
+     3                   -2.03285E-02      -3.17522E-01
+     4                    7.74037E-02      -4.01822E-02
+4 0 *********** SCCC-pro-leu
+     1                    3.23707E-02       1.27574E+00
+     2                   -2.95285E-01      -4.75463E-01
+     3                   -1.57196E-02      -2.72307E-01
+     4                    6.35484E-02      -5.02080E-03
+4 0 *********** SCCC-pro-val
+     1                    2.19698E-01       1.30074E+00
+     2                   -2.99856E-01      -4.07424E-01
+     3                   -1.76088E-02      -3.10886E-01
+     4                    7.62449E-02      -2.36822E-02
+4 0 *********** SCCC-pro-trp
+     1                    2.11003E-01       1.32354E+00
+     2                   -2.08207E-01      -3.28018E-01
+     3                   -5.88735E-02      -2.76918E-01
+     4                    8.41015E-02      -5.71559E-02
+4 0 *********** SCCC-pro-tyr
+     1                    8.63762E-02       1.31518E+00
+     2                   -2.42393E-01      -4.09271E-01
+     3                   -4.62516E-02      -2.71177E-01
+     4                    8.18826E-02      -4.06253E-02
+4 0 *********** SCCC-pro-ala
+     1                    1.64853E-02       1.04884E+00
+     2                   -2.43450E-01      -3.94165E-01
+     3                   -8.69073E-02      -2.30146E-01
+     4                    4.56232E-02      -2.01726E-02
+4 0 *********** SCCC-pro-gly
+     1                    2.23240E+00      -2.14457E+00
+     2                   -3.37741E-01      -2.83765E-01
+     3                   -1.50305E-01       1.76072E-01
+     4                   -3.74656E-02       1.51697E-02
+4 0 *********** SCCC-pro-thr
+     1                    3.32017E-01       1.04626E+00
+     2                   -2.75534E-02      -1.86874E-01
+     3                   -1.12255E-01      -1.98801E-01
+     4                    3.64635E-02      -8.80600E-02
+4 0 *********** SCCC-pro-ser
+     1                    8.54398E-01       1.81527E+00
+     2                    2.24325E-01      -1.46596E-01
+     3                    8.57517E-02      -1.83586E-02
+     4                    6.03122E-02      -7.05508E-02
+4 0 *********** SCCC-pro-gln
+     1                    4.44934E-01       1.25153E+00
+     2                   -1.09365E-01      -2.30544E-01
+     3                   -9.20696E-02      -2.62958E-01
+     4                    5.94435E-02      -9.22573E-02
+4 0 *********** SCCC-pro-asn
+     1                    7.57578E-01       1.34308E+00
+     2                    2.45102E-01      -2.32651E-02
+     3                   -1.13890E-01      -5.77947E-02
+     4                    1.66961E-02      -1.36478E-01
+4 0 *********** SCCC-pro-glu
+     1                    4.22861E-01       1.36719E+00
+     2                   -1.29948E-01      -2.86940E-01
+     3                   -6.70773E-02      -2.68784E-01
+     4                    6.70893E-02      -9.16566E-02
+4 0 *********** SCCC-pro-asp
+     1                    1.06001E+00       1.34100E+00
+     2                    2.62307E-01       1.31717E-01
+     3                   -1.07909E-01      -9.61497E-02
+     4                    4.65401E-02      -1.17995E-01
+4 0 *********** SCCC-pro-his
+     1                    5.51527E-01       1.63451E+00
+     2                   -8.43776E-02      -2.48776E-01
+     3                   -4.05782E-03      -2.49672E-01
+     4                    9.46899E-02      -9.34989E-02
+4 0 *********** SCCC-pro-arg
+     1                    1.99155E-01       1.15004E+00
+     2                   -2.60709E-01      -3.42296E-01
+     3                   -7.54445E-02      -2.89494E-01
+     4                    7.36528E-02      -3.76496E-02
+4 0 *********** SCCC-pro-lys
+     1                    9.07982E-02       1.14370E+00
+     2                   -2.90373E-01      -4.16148E-01
+     3                   -4.75112E-02      -2.68886E-01
+     4                    5.70155E-02      -1.21007E-02
+4 0 *********** SCCC-pro-pro
+     1                    1.24017E+00       3.27182E+00
+     2                   -1.12460E-01       4.91637E-01
+     3                   -2.82130E-01      -1.04332E-01
+     4                    7.16332E-02      -3.05457E-01
+4 0 *********** CCCS-cys-cys
+     1                   -9.81529E-01      -4.99751E-01
+     2                   -1.09644E-01      -1.41325E-01
+     3                    1.66508E-01      -1.41587E-01
+     4                   -4.39297E-02       9.10503E-02
+4 0 *********** CCCS-cys-met
+     1                   -6.99952E-01      -1.25466E-02
+     2                   -2.85225E-01       1.14027E-01
+     3                    6.25110E-02      -1.10927E-01
+     4                    9.64240E-03       4.31923E-02
+4 0 *********** CCCS-cys-phe
+     1                   -7.96678E-01       7.62314E-03
+     2                   -1.22507E-01       3.16194E-01
+     3                   -9.63393E-02      -6.52523E-02
+     4                    6.16694E-02       3.56698E-02
+4 0 *********** CCCS-cys-ile
+     1                   -8.79423E-01      -5.23081E-02
+     2                   -4.10713E-01       1.40084E-01
+     3                    7.18166E-02      -1.91023E-01
+     4                   -6.05884E-03       3.82424E-02
+4 0 *********** CCCS-cys-leu
+     1                   -5.81163E-01       2.21705E-01
+     2                   -4.81013E-01       3.58596E-01
+     3                    5.49719E-03      -8.37178E-02
+     4                   -9.77924E-03       1.48720E-02
+4 0 *********** CCCS-cys-val
+     1                   -7.84291E-01      -2.84432E-03
+     2                   -4.57495E-01       1.99446E-01
+     3                    7.75864E-02      -1.60314E-01
+     4                    5.15416E-03       3.40983E-02
+4 0 *********** CCCS-cys-trp
+     1                   -8.29444E-01       4.82686E-02
+     2                   -1.53370E-01       2.12974E-01
+     3                   -6.19886E-02      -9.43079E-02
+     4                    5.74415E-02       3.56113E-02
+4 0 *********** CCCS-cys-tyr
+     1                   -7.86153E-01       1.26779E-02
+     2                   -1.02654E-01       2.97115E-01
+     3                   -9.95401E-02      -6.43182E-02
+     4                    7.04470E-02       4.13411E-02
+4 0 *********** CCCS-cys-ala
+     1                   -5.17854E-01       7.94199E-03
+     2                   -5.79857E-01      -2.26360E-01
+     3                    1.02776E-01      -3.73167E-02
+     4                   -7.85419E-03      -2.22182E-02
+4 0 *********** CCCS-cys-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-cys-thr
+     1                   -8.30177E-01      -3.53848E-02
+     2                   -3.94740E-01      -2.22237E-03
+     3                    7.19076E-02      -1.22610E-01
+     4                   -7.73690E-03       1.97299E-02
+4 0 *********** CCCS-cys-ser
+     1                   -1.11675E+00      -9.04310E-01
+     2                    7.00369E-03      -1.63392E-01
+     3                    1.63316E-01      -1.70663E-01
+     4                   -6.93816E-02       2.63151E-02
+4 0 *********** CCCS-cys-gln
+     1                   -8.54563E-01      -1.07630E-01
+     2                   -1.87343E-01      -9.34115E-02
+     3                   -5.30520E-02      -1.16920E-01
+     4                    1.54047E-02       5.70308E-02
+4 0 *********** CCCS-cys-asn
+     1                   -9.28088E-01      -6.02095E-01
+     2                    6.86611E-02      -2.44584E-01
+     3                    6.24537E-02      -7.51201E-02
+     4                    3.79455E-03       6.64844E-02
+4 0 *********** CCCS-cys-glu
+     1                   -9.51407E-01      -6.55904E-02
+     2                   -2.34702E-01      -7.11047E-03
+     3                   -5.47458E-02      -1.46273E-01
+     4                    2.51454E-02       3.57427E-02
+4 0 *********** CCCS-cys-asp
+     1                   -1.01534E+00      -7.17179E-01
+     2                    9.03379E-03      -2.23320E-01
+     3                    9.16158E-02      -5.34428E-02
+     4                    8.89365E-03       4.84009E-02
+4 0 *********** CCCS-cys-his
+     1                   -9.54598E-01      -5.73454E-01
+     2                    1.16190E-01      -1.27483E-01
+     3                    1.71071E-01      -1.29127E-01
+     4                   -2.06691E-02       2.05881E-03
+4 0 *********** CCCS-cys-arg
+     1                   -6.59082E-01       1.28634E-01
+     2                   -2.34765E-01       2.44536E-01
+     3                   -2.41314E-02      -9.57468E-02
+     4                   -7.47069E-03       1.40142E-02
+4 0 *********** CCCS-cys-lys
+     1                   -5.54585E-01       1.93256E-01
+     2                   -3.58461E-01       2.39395E-01
+     3                    5.44631E-02      -7.44114E-02
+     4                    5.48193E-03       1.04960E-02
+4 0 *********** CCCS-cys-pro
+     1                   -1.57268E+00      -7.21704E-01
+     2                   -4.01256E-02       5.03049E-02
+     3                   -4.96014E-02      -4.51269E-01
+     4                   -9.56046E-02       1.16484E-01
+4 0 *********** CCCS-met-cys
+     1                   -8.66203E-01      -4.35658E-01
+     2                    7.94597E-02      -4.44697E-02
+     3                    9.94323E-02      -1.10620E-01
+     4                   -8.77444E-04       3.10846E-02
+4 0 *********** CCCS-met-met
+     1                   -6.13072E-01       2.17128E-02
+     2                   -1.48139E-01      -1.24288E-02
+     3                    2.29492E-02      -5.93085E-02
+     4                   -9.03098E-03       4.49343E-02
+4 0 *********** CCCS-met-phe
+     1                   -6.58045E-01       8.08007E-02
+     2                   -8.59951E-02       1.04368E-01
+     3                   -1.01504E-01      -3.30910E-02
+     4                    5.29134E-02       5.26243E-02
+4 0 *********** CCCS-met-ile
+     1                   -7.69788E-01       1.00031E-02
+     2                   -1.68608E-01      -3.98670E-02
+     3                    1.35835E-02      -1.08701E-01
+     4                   -3.93300E-02       3.99990E-02
+4 0 *********** CCCS-met-leu
+     1                   -5.35859E-01       2.37305E-01
+     2                   -3.01175E-01       7.29295E-02
+     3                   -1.45616E-02      -3.71859E-02
+     4                   -2.09997E-02       8.33643E-02
+4 0 *********** CCCS-met-val
+     1                   -6.85812E-01       6.09897E-02
+     2                   -2.24886E-01      -1.19862E-02
+     3                    1.67065E-02      -8.80205E-02
+     4                   -3.09468E-02       6.03288E-02
+4 0 *********** CCCS-met-trp
+     1                   -7.04443E-01       9.44303E-02
+     2                   -8.35085E-02       3.90069E-02
+     3                   -6.82070E-02      -4.74457E-02
+     4                    3.89369E-02       4.52790E-02
+4 0 *********** CCCS-met-tyr
+     1                   -6.48983E-01       7.76534E-02
+     2                   -7.60514E-02       1.00872E-01
+     3                   -9.86517E-02      -3.30396E-02
+     4                    5.61998E-02       5.41831E-02
+4 0 *********** CCCS-met-ala
+     1                   -4.83644E-01      -5.25651E-03
+     2                   -2.57531E-01      -2.26794E-01
+     3                    5.53271E-02      -1.77366E-02
+     4                   -6.24025E-02      -6.47984E-02
+4 0 *********** CCCS-met-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-met-thr
+     1                   -7.50182E-01      -7.13862E-03
+     2                   -1.48158E-01      -9.85241E-02
+     3                    1.94110E-02      -7.67674E-02
+     4                   -4.58864E-02       1.16702E-02
+4 0 *********** CCCS-met-ser
+     1                   -1.07466E+00      -7.84380E-01
+     2                    2.10572E-01       1.30160E-01
+     3                    1.52089E-01      -2.05490E-01
+     4                   -2.60098E-03       2.08907E-02
+4 0 *********** CCCS-met-gln
+     1                   -7.74784E-01      -9.34274E-02
+     2                   -2.29268E-02      -1.00496E-01
+     3                   -3.94836E-02      -1.04385E-01
+     4                   -1.86197E-02       2.35040E-02
+4 0 *********** CCCS-met-asn
+     1                   -8.44036E-01      -5.57180E-01
+     2                    1.78936E-01      -2.85897E-02
+     3                    6.62377E-02      -9.25476E-02
+     4                    4.13624E-02       4.11267E-02
+4 0 *********** CCCS-met-glu
+     1                   -8.55736E-01      -3.94036E-02
+     2                   -4.11801E-02      -8.11488E-02
+     3                   -5.44869E-02      -1.09475E-01
+     4                   -1.65591E-02       1.37735E-02
+4 0 *********** CCCS-met-asp
+     1                   -9.36592E-01      -6.29915E-01
+     2                    1.82784E-01       9.07202E-03
+     3                    7.49978E-02      -1.06031E-01
+     4                    4.70710E-02       3.33531E-02
+4 0 *********** CCCS-met-his
+     1                   -8.21352E-01      -5.34210E-01
+     2                    1.69094E-01       3.83050E-03
+     3                    1.30048E-01      -7.46808E-02
+     4                    4.58805E-02      -1.08123E-02
+4 0 *********** CCCS-met-arg
+     1                   -5.77822E-01       1.50675E-01
+     2                   -1.54964E-01       6.02103E-02
+     3                   -3.15758E-02      -4.90978E-02
+     4                   -4.68353E-03       3.30582E-02
+4 0 *********** CCCS-met-lys
+     1                   -4.99865E-01       1.99580E-01
+     2                   -2.33587E-01       4.70035E-02
+     3                    1.86719E-02      -2.35417E-02
+     4                   -4.26733E-03       4.46749E-02
+4 0 *********** CCCS-met-pro
+     1                   -1.57885E+00      -5.75661E-01
+     2                    4.14501E-01       1.72252E-01
+     3                   -1.15299E-01      -4.69122E-01
+     4                   -4.85505E-02       7.85129E-02
+4 0 *********** CCCS-phe-cys
+     1                   -9.12821E-01      -3.77321E-01
+     2                    5.08327E-02      -9.85651E-02
+     3                    1.43259E-01      -1.00092E-01
+     4                   -3.00755E-02       4.69906E-02
+4 0 *********** CCCS-phe-met
+     1                   -6.23026E-01       5.94970E-02
+     2                   -1.77008E-01      -6.12113E-03
+     3                    3.13060E-02      -7.63763E-02
+     4                   -2.52265E-03       4.90769E-02
+4 0 *********** CCCS-phe-phe
+     1                   -6.64167E-01       1.14750E-01
+     2                   -9.79301E-02       1.28721E-01
+     3                   -1.13137E-01      -4.57718E-02
+     4                    5.83560E-02       4.68812E-02
+4 0 *********** CCCS-phe-ile
+     1                   -7.81793E-01       6.96795E-02
+     2                   -2.22359E-01      -3.45911E-02
+     3                    2.71752E-02      -1.44893E-01
+     4                   -2.01122E-02       5.20491E-02
+4 0 *********** CCCS-phe-leu
+     1                   -5.21894E-01       2.87467E-01
+     2                   -3.41532E-01       1.18849E-01
+     3                   -3.47587E-02      -5.97313E-02
+     4                   -9.43166E-03       6.08606E-02
+4 0 *********** CCCS-phe-val
+     1                   -6.92182E-01       1.14383E-01
+     2                   -2.74014E-01       3.81588E-03
+     3                    2.32172E-02      -1.21091E-01
+     4                   -1.19473E-02       6.27734E-02
+4 0 *********** CCCS-phe-trp
+     1                   -7.10971E-01       1.34770E-01
+     2                   -1.05461E-01       5.39577E-02
+     3                   -7.20510E-02      -6.44354E-02
+     4                    4.74478E-02       4.36588E-02
+4 0 *********** CCCS-phe-tyr
+     1                   -6.55805E-01       1.10372E-01
+     2                   -8.64232E-02       1.23200E-01
+     3                   -1.09276E-01      -4.46766E-02
+     4                    6.11438E-02       4.92978E-02
+4 0 *********** CCCS-phe-ala
+     1                   -4.94923E-01       4.12141E-02
+     2                   -3.17716E-01      -2.32467E-01
+     3                    7.38477E-02      -4.18254E-02
+     4                   -4.40483E-02      -4.39782E-02
+4 0 *********** CCCS-phe-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-phe-thr
+     1                   -7.64567E-01       5.15089E-02
+     2                   -2.00158E-01      -1.03471E-01
+     3                    3.79001E-02      -1.05455E-01
+     4                   -3.12385E-02       2.81603E-02
+4 0 *********** CCCS-phe-ser
+     1                   -1.12981E+00      -7.16208E-01
+     2                    1.91507E-01       4.50295E-02
+     3                    1.90069E-01      -1.65163E-01
+     4                   -3.93849E-02       9.87696E-03
+4 0 *********** CCCS-phe-gln
+     1                   -7.94613E-01      -4.34063E-02
+     2                   -5.91753E-02      -1.15293E-01
+     3                   -2.44069E-02      -1.20060E-01
+     4                   -1.20418E-02       3.83564E-02
+4 0 *********** CCCS-phe-asn
+     1                   -8.98304E-01      -5.03805E-01
+     2                    1.72085E-01      -9.29972E-02
+     3                    9.05312E-02      -6.36999E-02
+     4                    1.59051E-02       3.47806E-02
+4 0 *********** CCCS-phe-glu
+     1                   -8.71997E-01       1.95591E-02
+     2                   -8.81181E-02      -8.83272E-02
+     3                   -4.08957E-02      -1.37569E-01
+     4                   -1.16297E-03       3.02536E-02
+4 0 *********** CCCS-phe-asp
+     1                   -9.94054E-01      -5.70525E-01
+     2                    1.72008E-01      -6.27533E-02
+     3                    1.05089E-01      -7.20248E-02
+     4                    1.66953E-02       2.56074E-02
+4 0 *********** CCCS-phe-his
+     1                   -8.75873E-01      -4.84068E-01
+     2                    1.65507E-01      -5.37154E-02
+     3                    1.55029E-01      -5.28101E-02
+     4                    1.71628E-02      -1.43560E-02
+4 0 *********** CCCS-phe-arg
+     1                   -5.76788E-01       1.88733E-01
+     2                   -1.78800E-01       8.30768E-02
+     3                   -3.94017E-02      -6.62495E-02
+     4                    2.87128E-03       2.73581E-02
+4 0 *********** CCCS-phe-lys
+     1                   -4.94552E-01       2.37310E-01
+     2                   -2.61761E-01       7.37263E-02
+     3                    1.27529E-02      -3.97466E-02
+     4                    2.80516E-03       3.62896E-02
+4 0 *********** CCCS-phe-pro
+     1                   -1.58954E+00      -4.98158E-01
+     2                    3.17655E-01       1.36275E-01
+     3                   -3.54154E-02      -4.99251E-01
+     4                   -9.54859E-02       1.19848E-01
+4 0 *********** CCCS-ile-cys
+     1                   -7.99072E-01      -5.88558E-01
+     2                    1.23647E-01      -3.55532E-03
+     3                    4.75751E-02      -8.07983E-02
+     4                    1.51485E-02      -1.48954E-03
+4 0 *********** CCCS-ile-met
+     1                   -6.12852E-01      -8.96823E-02
+     2                   -1.25015E-01      -4.06714E-02
+     3                    2.90473E-02      -1.99685E-02
+     4                   -1.74554E-02       3.34820E-02
+4 0 *********** CCCS-ile-phe
+     1                   -6.67701E-01      -3.50544E-02
+     2                   -1.10110E-01       7.16807E-02
+     3                   -5.44385E-02      -2.49255E-02
+     4                    3.62755E-02       5.45292E-02
+4 0 *********** CCCS-ile-ile
+     1                   -7.70788E-01      -1.34307E-01
+     2                   -1.27139E-01      -8.17419E-02
+     3                    2.84869E-02      -4.30272E-02
+     4                   -5.56717E-02       2.66720E-02
+4 0 *********** CCCS-ile-leu
+     1                   -5.80727E-01       1.31484E-01
+     2                   -3.01341E-01      -1.90859E-02
+     3                    3.30606E-02      -1.28841E-02
+     4                   -1.60604E-02       9.24141E-02
+4 0 *********** CCCS-ile-val
+     1                   -6.94111E-01      -7.08022E-02
+     2                   -1.94394E-01      -6.79855E-02
+     3                    3.72644E-02      -2.84876E-02
+     4                   -4.27067E-02       5.25059E-02
+4 0 *********** CCCS-ile-trp
+     1                   -7.17546E-01      -2.94128E-02
+     2                   -8.09592E-02       1.46264E-02
+     3                   -3.45915E-02      -2.71973E-02
+     4                    2.06150E-02       4.58232E-02
+4 0 *********** CCCS-ile-tyr
+     1                   -6.57428E-01      -3.53664E-02
+     2                   -9.94968E-02       7.16473E-02
+     3                   -5.42507E-02      -2.56544E-02
+     4                    3.84820E-02       5.48977E-02
+4 0 *********** CCCS-ile-ala
+     1                   -4.76455E-01      -1.00541E-01
+     2                   -1.74184E-01      -2.85022E-01
+     3                    3.73976E-02       3.22917E-02
+     4                   -7.65591E-02      -6.07851E-02
+4 0 *********** CCCS-ile-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-ile-thr
+     1                   -7.47386E-01      -1.46975E-01
+     2                   -9.51584E-02      -1.29410E-01
+     3                    1.91541E-02      -1.92006E-02
+     4                   -5.86822E-02      -1.65503E-03
+4 0 *********** CCCS-ile-ser
+     1                   -9.94110E-01      -9.71102E-01
+     2                    2.52325E-01       2.10757E-01
+     3                    1.03093E-01      -2.16366E-01
+     4                    1.74220E-02       8.41007E-03
+4 0 *********** CCCS-ile-gln
+     1                   -7.57305E-01      -2.28078E-01
+     2                    2.23368E-02      -1.03830E-01
+     3                   -3.93002E-02      -6.68295E-02
+     4                   -3.18245E-02       1.14887E-02
+4 0 *********** CCCS-ile-asn
+     1                   -7.61152E-01      -7.05377E-01
+     2                    2.10926E-01       3.89055E-02
+     3                    2.44067E-02      -1.02457E-01
+     4                    5.35503E-02       3.20461E-02
+4 0 *********** CCCS-ile-glu
+     1                   -8.50983E-01      -1.89340E-01
+     2                    5.54311E-03      -9.61889E-02
+     3                   -4.10803E-02      -6.16716E-02
+     4                   -3.77471E-02       5.80756E-03
+4 0 *********** CCCS-ile-asp
+     1                   -8.52091E-01      -7.95489E-01
+     2                    2.15112E-01       8.00541E-02
+     3                    2.82425E-02      -1.16007E-01
+     4                    6.29191E-02       2.54734E-02
+4 0 *********** CCCS-ile-his
+     1                   -7.46169E-01      -6.79484E-01
+     2                    1.93835E-01       7.73916E-02
+     3                    9.23711E-02      -7.77609E-02
+     4                    5.89622E-02      -2.07259E-02
+4 0 *********** CCCS-ile-arg
+     1                   -6.03530E-01       4.49668E-02
+     2                   -1.50381E-01       1.57574E-02
+     3                    1.94766E-03      -2.86723E-02
+     4                   -9.81849E-03       3.56490E-02
+4 0 *********** CCCS-ile-lys
+     1                   -5.32611E-01       1.04805E-01
+     2                   -2.25289E-01      -1.27024E-02
+     3                    4.20610E-02       3.97173E-05
+     4                   -5.82282E-03       4.52674E-02
+4 0 *********** CCCS-ile-pro
+     1                   -1.66140E+00      -8.34673E-01
+     2                    5.62777E-01       2.67693E-01
+     3                   -1.53787E-01      -4.90724E-01
+     4                   -7.63610E-02       1.03160E-01
+4 0 *********** CCCS-leu-cys
+     1                   -8.83472E-01      -3.69309E-01
+     2                    1.30546E-01      -8.87150E-02
+     3                    1.24376E-01      -7.94938E-02
+     4                   -1.34697E-02       2.23745E-02
+4 0 *********** CCCS-leu-met
+     1                   -6.01407E-01       6.00353E-02
+     2                   -1.49399E-01      -6.36190E-02
+     3                    2.99718E-02      -6.02270E-02
+     4                   -1.27417E-02       5.22786E-02
+4 0 *********** CCCS-leu-phe
+     1                   -6.27773E-01       1.18058E-01
+     2                   -1.11521E-01       5.87123E-02
+     3                   -1.10639E-01      -4.50077E-02
+     4                    5.50946E-02       5.85454E-02
+4 0 *********** CCCS-leu-ile
+     1                   -7.59421E-01       7.79081E-02
+     2                   -1.70199E-01      -1.16861E-01
+     3                    3.22644E-02      -1.19301E-01
+     4                   -4.07583E-02       5.36117E-02
+4 0 *********** CCCS-leu-leu
+     1                   -5.18840E-01       2.89879E-01
+     2                   -3.31220E-01       8.23065E-03
+     3                   -2.64552E-02      -5.21540E-02
+     4                   -1.59381E-02       9.00404E-02
+4 0 *********** CCCS-leu-val
+     1                   -6.73797E-01       1.23189E-01
+     2                   -2.32712E-01      -8.68288E-02
+     3                    2.67392E-02      -9.91950E-02
+     4                   -3.09881E-02       7.45260E-02
+4 0 *********** CCCS-leu-trp
+     1                   -6.79078E-01       1.33816E-01
+     2                   -1.03038E-01      -9.55088E-03
+     3                   -6.76500E-02      -5.67908E-02
+     4                    3.96792E-02       5.27205E-02
+4 0 *********** CCCS-leu-tyr
+     1                   -6.19580E-01       1.12348E-01
+     2                   -1.00853E-01       5.77271E-02
+     3                   -1.06287E-01      -4.38666E-02
+     4                    5.70379E-02       6.01592E-02
+4 0 *********** CCCS-leu-ala
+     1                   -4.92916E-01       3.87462E-02
+     2                   -2.21693E-01      -2.82741E-01
+     3                    6.98050E-02      -2.62396E-02
+     4                   -6.80469E-02      -6.42838E-02
+4 0 *********** CCCS-leu-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-leu-thr
+     1                   -7.48126E-01       5.36400E-02
+     2                   -1.36944E-01      -1.66974E-01
+     3                    3.79913E-02      -8.60512E-02
+     4                   -5.13726E-02       2.28052E-02
+4 0 *********** CCCS-leu-ser
+     1                   -1.15042E+00      -7.04513E-01
+     2                    3.26201E-01       1.12553E-01
+     3                    1.49148E-01      -1.77258E-01
+     4                    1.05327E-02       1.48867E-02
+4 0 *********** CCCS-leu-gln
+     1                   -7.72562E-01      -4.87872E-02
+     2                   -4.88318E-03      -1.43881E-01
+     3                   -1.59783E-02      -1.17718E-01
+     4                   -2.80108E-02       2.86915E-02
+4 0 *********** CCCS-leu-asn
+     1                   -8.87326E-01      -5.02879E-01
+     2                    2.51793E-01      -3.85589E-02
+     3                    7.67035E-02      -6.57596E-02
+     4                    4.15438E-02       2.99316E-02
+4 0 *********** CCCS-leu-glu
+     1                   -8.47484E-01       1.78466E-02
+     2                   -3.32501E-02      -1.40402E-01
+     3                   -3.12201E-02      -1.26185E-01
+     4                   -2.13970E-02       2.31718E-02
+4 0 *********** CCCS-leu-asp
+     1                   -9.93265E-01      -5.60702E-01
+     2                    2.77596E-01      -1.04388E-02
+     3                    7.34092E-02      -7.85378E-02
+     4                    5.41183E-02       2.29368E-02
+4 0 *********** CCCS-leu-his
+     1                   -8.46472E-01      -4.84671E-01
+     2                    2.20827E-01      -1.54265E-02
+     3                    1.43643E-01      -3.01633E-02
+     4                    4.99535E-02      -2.51100E-02
+4 0 *********** CCCS-leu-arg
+     1                   -5.57785E-01       1.85912E-01
+     2                   -1.76423E-01       1.42674E-02
+     3                   -3.34123E-02      -5.84849E-02
+     4                   -1.83894E-05       3.72004E-02
+4 0 *********** CCCS-leu-lys
+     1                   -4.86399E-01       2.34143E-01
+     2                   -2.51865E-01      -3.85145E-03
+     3                    1.29808E-02      -2.60015E-02
+     4                   -1.91373E-03       5.05694E-02
+4 0 *********** CCCS-leu-pro
+     1                   -1.67903E+00      -4.70773E-01
+     2                    5.54447E-01       8.50613E-02
+     3                   -1.34828E-01      -4.71213E-01
+     4                   -2.44529E-02       7.41320E-02
+4 0 *********** CCCS-val-cys
+     1                   -8.11321E-01      -5.17223E-01
+     2                    1.51724E-01      -1.99653E-02
+     3                    6.31270E-02      -6.52135E-02
+     4                    5.14056E-03      -1.25929E-03
+4 0 *********** CCCS-val-met
+     1                   -6.01096E-01      -4.45278E-02
+     2                   -1.13496E-01      -6.61089E-02
+     3                    3.02441E-02      -2.41046E-02
+     4                   -1.84852E-02       3.38525E-02
+4 0 *********** CCCS-val-phe
+     1                   -6.42676E-01       1.42475E-02
+     2                   -1.06398E-01       4.14502E-02
+     3                   -6.27418E-02      -3.39537E-02
+     4                    3.33549E-02       5.44284E-02
+4 0 *********** CCCS-val-ile
+     1                   -7.58454E-01      -6.72337E-02
+     2                   -1.10880E-01      -1.16333E-01
+     3                    3.27005E-02      -5.39716E-02
+     4                   -5.04593E-02       2.90219E-02
+4 0 *********** CCCS-val-leu
+     1                   -5.60959E-01       1.79672E-01
+     2                   -2.92865E-01      -4.58013E-02
+     3                    1.71482E-02      -2.37541E-02
+     4                   -1.52076E-02       8.04829E-02
+4 0 *********** CCCS-val-val
+     1                   -6.80817E-01      -9.47510E-03
+     2                   -1.78723E-01      -1.00930E-01
+     3                    3.64941E-02      -4.04977E-02
+     4                   -3.93449E-02       5.11311E-02
+4 0 *********** CCCS-val-trp
+     1                   -6.93612E-01       2.05325E-02
+     2                   -7.83321E-02      -1.61338E-02
+     3                   -3.68244E-02      -3.41858E-02
+     4                    1.92010E-02       4.64430E-02
+4 0 *********** CCCS-val-tyr
+     1                   -6.32868E-01       1.15912E-02
+     2                   -9.66461E-02       4.26149E-02
+     3                   -6.11962E-02      -3.36105E-02
+     4                    3.45472E-02       5.48246E-02
+4 0 *********** CCCS-val-ala
+     1                   -4.80804E-01      -6.01286E-02
+     2                   -1.51599E-01      -2.89045E-01
+     3                    4.55108E-02       1.82308E-02
+     4                   -6.30640E-02      -5.31570E-02
+4 0 *********** CCCS-val-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-val-thr
+     1                   -7.41105E-01      -8.58838E-02
+     2                   -7.65292E-02      -1.56129E-01
+     3                    2.61954E-02      -3.03294E-02
+     4                   -5.35762E-02       3.18180E-03
+4 0 *********** CCCS-val-ser
+     1                   -1.03479E+00      -8.80148E-01
+     2                    2.99630E-01       2.10209E-01
+     3                    1.08220E-01      -1.97563E-01
+     4                    1.03976E-02       1.23403E-02
+4 0 *********** CCCS-val-gln
+     1                   -7.52281E-01      -1.75271E-01
+     2                    3.61440E-02      -1.19884E-01
+     3                   -2.25685E-02      -7.45521E-02
+     4                   -3.14194E-02       1.38717E-02
+4 0 *********** CCCS-val-asn
+     1                   -7.89163E-01      -6.41908E-01
+     2                    2.38744E-01       3.99889E-02
+     3                    3.67868E-02      -8.34565E-02
+     4                    4.36729E-02       2.55220E-02
+4 0 *********** CCCS-val-glu
+     1                   -8.39244E-01      -1.26711E-01
+     2                    1.81508E-02      -1.21894E-01
+     3                   -2.83981E-02      -7.34440E-02
+     4                   -3.31335E-02       1.08919E-02
+4 0 *********** CCCS-val-asp
+     1                   -8.85374E-01      -7.18477E-01
+     2                    2.56118E-01       7.91874E-02
+     3                    3.64225E-02      -1.01706E-01
+     4                    5.26699E-02       2.33682E-02
+4 0 *********** CCCS-val-his
+     1                   -7.62378E-01      -6.17991E-01
+     2                    2.12535E-01       6.59066E-02
+     3                    9.61069E-02      -5.06113E-02
+     4                    5.03004E-02      -2.14882E-02
+4 0 *********** CCCS-val-arg
+     1                   -5.82822E-01       8.66612E-02
+     2                   -1.48760E-01      -1.05968E-02
+     3                   -3.89609E-03      -3.52453E-02
+     4                   -6.76220E-03       3.38389E-02
+4 0 *********** CCCS-val-lys
+     1                   -5.15770E-01       1.41804E-01
+     2                   -2.18761E-01      -3.71672E-02
+     3                    3.18685E-02      -4.50041E-03
+     4                   -6.12151E-03       4.17786E-02
+4 0 *********** CCCS-val-pro
+     1                   -1.69771E+00      -7.30645E-01
+     2                    6.21176E-01       2.56416E-01
+     3                   -1.48812E-01      -5.14417E-01
+     4                   -7.45039E-02       1.45455E-01
+4 0 *********** CCCS-trp-cys
+     1                   -8.77762E-01      -4.48673E-01
+     2                    1.40893E-02      -6.78055E-02
+     3                    1.30039E-01      -1.09771E-01
+     4                   -2.48853E-02       4.66347E-02
+4 0 *********** CCCS-trp-met
+     1                   -6.30061E-01       1.32246E-02
+     2                   -1.77339E-01       2.36419E-02
+     3                    3.20545E-02      -7.16448E-02
+     4                   -3.91275E-03       4.19304E-02
+4 0 *********** CCCS-trp-phe
+     1                   -6.85702E-01       6.67469E-02
+     2                   -8.95124E-02       1.59155E-01
+     3                   -9.94553E-02      -4.30629E-02
+     4                    4.97309E-02       4.48958E-02
+4 0 *********** CCCS-trp-ile
+     1                   -7.87149E-01      -4.93625E-03
+     2                   -2.22227E-01       1.19320E-02
+     3                    2.44076E-02      -1.31783E-01
+     4                   -2.27316E-02       3.93693E-02
+4 0 *********** CCCS-trp-leu
+     1                   -5.40530E-01       2.29644E-01
+     2                   -3.27799E-01       1.50827E-01
+     3                   -1.96314E-02      -4.78857E-02
+     4                   -1.73037E-02       5.22990E-02
+4 0 *********** CCCS-trp-val
+     1                   -7.01424E-01       4.61020E-02
+     2                   -2.71200E-01       4.65081E-02
+     3                    2.58690E-02      -1.07495E-01
+     4                   -1.61709E-02       4.94049E-02
+4 0 *********** CCCS-trp-trp
+     1                   -7.28796E-01       8.42478E-02
+     2                   -9.68316E-02       8.60848E-02
+     3                   -6.51644E-02      -6.08109E-02
+     4                    4.07017E-02       4.06057E-02
+4 0 *********** CCCS-trp-tyr
+     1                   -6.76477E-01       6.48958E-02
+     2                   -7.80312E-02       1.52082E-01
+     3                   -9.69848E-02      -4.24221E-02
+     4                    5.31404E-02       4.74066E-02
+4 0 *********** CCCS-trp-ala
+     1                   -4.85783E-01      -6.57016E-03
+     2                   -3.34110E-01      -2.08892E-01
+     3                    6.33967E-02      -2.88700E-02
+     4                   -3.46260E-02      -4.54350E-02
+4 0 *********** CCCS-trp-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-trp-thr
+     1                   -7.62215E-01      -1.66209E-02
+     2                   -2.05828E-01      -6.25774E-02
+     3                    3.09343E-02      -9.31738E-02
+     4                   -2.80790E-02       1.68598E-02
+4 0 *********** CCCS-trp-ser
+     1                   -1.03154E+00      -7.94259E-01
+     2                    1.02630E-01       4.54645E-02
+     3                    1.91038E-01      -1.62561E-01
+     4                   -3.94659E-02       3.14862E-03
+4 0 *********** CCCS-trp-gln
+     1                   -7.87206E-01      -9.82181E-02
+     2                   -7.02570E-02      -8.76610E-02
+     3                   -3.43813E-02      -1.09824E-01
+     4                   -7.50564E-03       3.42076E-02
+4 0 *********** CCCS-trp-asn
+     1                   -8.38710E-01      -5.63729E-01
+     2                    1.18971E-01      -8.41619E-02
+     3                    8.62810E-02      -7.55688E-02
+     4                    1.21475E-02       4.06533E-02
+4 0 *********** CCCS-trp-glu
+     1                   -8.70081E-01      -4.81074E-02
+     2                   -9.38332E-02      -4.96216E-02
+     3                   -4.83154E-02      -1.25695E-01
+     4                    1.54378E-04       2.43171E-02
+4 0 *********** CCCS-trp-asp
+     1                   -9.21223E-01      -6.43630E-01
+     2                    1.00987E-01      -4.96197E-02
+     3                    1.07722E-01      -8.08610E-02
+     4                    1.17774E-02       2.99547E-02
+4 0 *********** CCCS-trp-his
+     1                   -8.31417E-01      -5.39018E-01
+     2                    1.27308E-01      -3.60611E-02
+     3                    1.50432E-01      -7.61718E-02
+     4                    1.07643E-02      -5.57927E-03
+4 0 *********** CCCS-trp-arg
+     1                   -5.93732E-01       1.45068E-01
+     2                   -1.68473E-01       1.09384E-01
+     3                   -3.23216E-02      -6.11325E-02
+     4                   -2.80306E-03       2.38843E-02
+4 0 *********** CCCS-trp-lys
+     1                   -5.08905E-01       1.95584E-01
+     2                   -2.53051E-01       9.98052E-02
+     3                    2.09620E-02      -3.54569E-02
+     4                   -2.35324E-03       2.99840E-02
+4 0 *********** CCCS-trp-pro
+     1                   -1.44668E+00      -5.89494E-01
+     2                    1.83382E-01       1.54639E-01
+     3                   -5.66479E-03      -4.45790E-01
+     4                   -9.42532E-02       7.55533E-02
+4 0 *********** CCCS-tyr-cys
+     1                   -9.09006E-01      -3.79759E-01
+     2                    4.91124E-02      -9.52209E-02
+     3                    1.43726E-01      -1.01207E-01
+     4                   -2.96906E-02       4.71193E-02
+4 0 *********** CCCS-tyr-met
+     1                   -6.22207E-01       5.78449E-02
+     2                   -1.75559E-01      -5.22250E-03
+     3                    3.06699E-02      -7.62937E-02
+     4                   -2.83009E-03       4.88203E-02
+4 0 *********** CCCS-tyr-phe
+     1                   -6.63789E-01       1.13326E-01
+     2                   -9.63951E-02       1.28701E-01
+     3                   -1.13383E-01      -4.57057E-02
+     4                    5.77765E-02       4.72835E-02
+4 0 *********** CCCS-tyr-ile
+     1                   -7.80595E-01       6.65728E-02
+     2                   -2.19900E-01      -3.24672E-02
+     3                    2.60002E-02      -1.44710E-01
+     4                   -2.05834E-02       5.11673E-02
+4 0 *********** CCCS-tyr-leu
+     1                   -5.21881E-01       2.84544E-01
+     2                   -3.38132E-01       1.18754E-01
+     3                   -3.51877E-02      -5.87236E-02
+     4                   -1.08133E-02       6.11789E-02
+4 0 *********** CCCS-tyr-val
+     1                   -6.91368E-01       1.11588E-01
+     2                   -2.71285E-01       5.22627E-03
+     3                    2.21618E-02      -1.20641E-01
+     4                   -1.27789E-02       6.21999E-02
+4 0 *********** CCCS-tyr-trp
+     1                   -7.10331E-01       1.32960E-01
+     2                   -1.03873E-01       5.44967E-02
+     3                   -7.25142E-02      -6.43234E-02
+     4                    4.69414E-02       4.37841E-02
+4 0 *********** CCCS-tyr-tyr
+     1                   -6.55384E-01       1.09023E-01
+     2                   -8.50300E-02       1.23183E-01
+     3                   -1.09497E-01      -4.46240E-02
+     4                    6.06009E-02       4.96820E-02
+4 0 *********** CCCS-tyr-ala
+     1                   -4.93753E-01       3.88784E-02
+     2                   -3.15706E-01      -2.29990E-01
+     3                    7.28305E-02      -4.18762E-02
+     4                   -4.38649E-02      -4.54387E-02
+4 0 *********** CCCS-tyr-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-tyr-thr
+     1                   -7.63070E-01       4.85054E-02
+     2                   -1.98173E-01      -1.00968E-01
+     3                    3.67143E-02      -1.05619E-01
+     4                   -3.12982E-02       2.71395E-02
+4 0 *********** CCCS-tyr-ser
+     1                   -1.12069E+00      -7.18785E-01
+     2                    1.83787E-01       4.83379E-02
+     3                    1.94718E-01      -1.64962E-01
+     4                   -4.05226E-02       9.58595E-03
+4 0 *********** CCCS-tyr-gln
+     1                   -7.92835E-01      -4.56580E-02
+     2                   -5.84674E-02      -1.12935E-01
+     3                   -2.47702E-02      -1.20699E-01
+     4                   -1.19943E-02       3.78514E-02
+4 0 *********** CCCS-tyr-asn
+     1                   -8.92656E-01      -5.05654E-01
+     2                    1.67840E-01      -9.02306E-02
+     3                    9.28662E-02      -6.45290E-02
+     4                    1.52571E-02       3.55943E-02
+4 0 *********** CCCS-tyr-glu
+     1                   -8.70245E-01       1.66227E-02
+     2                   -8.67099E-02      -8.56785E-02
+     3                   -4.16259E-02      -1.38101E-01
+     4                   -1.21162E-03       2.96354E-02
+4 0 *********** CCCS-tyr-asp
+     1                   -9.87024E-01      -5.72803E-01
+     2                    1.66527E-01      -5.94872E-02
+     3                    1.08314E-01      -7.30065E-02
+     4                    1.55906E-02       2.64798E-02
+4 0 *********** CCCS-tyr-his
+     1                   -8.70789E-01      -4.85639E-01
+     2                    1.61844E-01      -5.15013E-02
+     3                    1.56654E-01      -5.32494E-02
+     4                    1.71858E-02      -1.36583E-02
+4 0 *********** CCCS-tyr-arg
+     1                   -5.76451E-01       1.86974E-01
+     2                   -1.77028E-01       8.31900E-02
+     3                   -3.97542E-02      -6.58250E-02
+     4                    2.32992E-03       2.74026E-02
+4 0 *********** CCCS-tyr-lys
+     1                   -4.94302E-01       2.35360E-01
+     2                   -2.59575E-01       7.37574E-02
+     3                    1.22432E-02      -3.91132E-02
+     4                    2.12332E-03       3.63422E-02
+4 0 *********** CCCS-tyr-pro
+     1                   -1.57814E+00      -5.05783E-01
+     2                    3.10335E-01       1.45772E-01
+     3                   -2.88148E-02      -5.03989E-01
+     4                   -9.96755E-02       1.20665E-01
+4 0 *********** CCCS-ala-cys
+     1                   -8.23119E-01      -2.98213E-01
+     2                    1.01944E-01      -3.12124E-02
+     3                    1.11175E-01      -1.12750E-01
+     4                    8.21128E-03       2.89820E-02
+4 0 *********** CCCS-ala-met
+     1                   -5.58872E-01       1.00798E-01
+     2                   -9.75431E-02      -3.76572E-02
+     3                   -8.93879E-04      -6.04168E-02
+     4                   -5.95098E-03       4.35541E-02
+4 0 *********** CCCS-ala-phe
+     1                   -5.82985E-01       1.69299E-01
+     2                   -4.93783E-02       4.21883E-02
+     3                   -1.23128E-01      -2.01764E-02
+     4                    5.47857E-02       4.91434E-02
+4 0 *********** CCCS-ala-ile
+     1                   -7.07307E-01       1.12039E-01
+     2                   -9.73446E-02      -6.42191E-02
+     3                   -1.97691E-02      -1.14987E-01
+     4                   -3.33150E-02       3.53489E-02
+4 0 *********** CCCS-ala-leu
+     1                   -4.77868E-01       2.92749E-01
+     2                   -2.15940E-01       2.53932E-02
+     3                   -5.38848E-02      -2.48878E-02
+     4                   -2.48870E-02       8.98947E-02
+4 0 *********** CCCS-ala-val
+     1                   -6.27675E-01       1.52286E-01
+     2                   -1.45924E-01      -4.27431E-02
+     3                   -2.12772E-02      -9.07665E-02
+     4                   -2.87085E-02       5.83967E-02
+4 0 *********** CCCS-ala-trp
+     1                   -6.25869E-01       1.79848E-01
+     2                   -5.04153E-02      -8.97269E-03
+     3                   -8.73481E-02      -3.76793E-02
+     4                    3.99514E-02       3.98532E-02
+4 0 *********** CCCS-ala-tyr
+     1                   -5.73991E-01       1.63445E-01
+     2                   -4.37848E-02       4.09536E-02
+     3                   -1.17701E-01      -2.02245E-02
+     4                    5.77646E-02       5.01472E-02
+4 0 *********** CCCS-ala-ala
+     1                   -4.56331E-01       4.60183E-02
+     2                   -1.76124E-01      -1.66119E-01
+     3                    4.46991E-02      -4.74663E-02
+     4                   -5.96800E-02      -5.29220E-02
+4 0 *********** CCCS-ala-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-ala-thr
+     1                   -6.95288E-01       8.55479E-02
+     2                   -8.20308E-02      -1.00411E-01
+     3                   -5.82995E-03      -9.47505E-02
+     4                   -4.27445E-02       1.02087E-02
+4 0 *********** CCCS-ala-ser
+     1                   -1.00835E+00      -5.95504E-01
+     2                    1.93668E-01       1.39001E-01
+     3                    1.94025E-01      -1.73473E-01
+     4                   -1.09209E-03       6.13657E-03
+4 0 *********** CCCS-ala-gln
+     1                   -7.19265E-01      -1.05762E-03
+     2                    1.15061E-02      -9.06152E-02
+     3                   -3.77212E-02      -1.21326E-01
+     4                   -1.76413E-02       1.76405E-02
+4 0 *********** CCCS-ala-asn
+     1                   -8.10659E-01      -4.23361E-01
+     2                    1.67923E-01       1.70979E-03
+     3                    1.05131E-01      -8.22832E-02
+     4                    3.91616E-02       3.28299E-02
+4 0 *********** CCCS-ala-glu
+     1                   -7.84610E-01       6.15637E-02
+     2                    1.32832E-03      -8.67880E-02
+     3                   -6.37268E-02      -1.23711E-01
+     4                   -1.43390E-02       7.42007E-03
+4 0 *********** CCCS-ala-asp
+     1                   -8.93182E-01      -4.73106E-01
+     2                    1.79835E-01       3.43482E-02
+     3                    1.14421E-01      -9.97471E-02
+     4                    4.01887E-02       2.70028E-02
+4 0 *********** CCCS-ala-his
+     1                   -7.73834E-01      -4.02384E-01
+     2                    1.48911E-01       7.25476E-03
+     3                    1.51588E-01      -4.98250E-02
+     4                    5.04625E-02      -1.63792E-02
+4 0 *********** CCCS-ala-arg
+     1                   -5.12065E-01       2.16366E-01
+     2                   -1.12670E-01       1.55364E-02
+     3                   -5.43212E-02      -3.82911E-02
+     4                   -3.41771E-03       3.40400E-02
+4 0 *********** CCCS-ala-lys
+     1                   -4.43114E-01       2.49535E-01
+     2                   -1.72275E-01       9.35242E-03
+     3                   -1.23287E-02      -1.35432E-02
+     4                   -5.90737E-03       4.85906E-02
+4 0 *********** CCCS-ala-pro
+     1                   -1.31202E+00      -3.46891E-01
+     2                    3.15762E-01       9.73094E-02
+     3                   -2.67777E-02      -4.03770E-01
+     4                   -5.78122E-02       1.51256E-02
+4 0 *********** CCCS-gly-cys
+     1                    1.05530E+00      -2.71210E-01
+     2                   -2.81933E-01       7.48024E-02
+     3                    1.25272E-01       1.80323E-01
+     4                    1.43032E-01      -5.75962E-02
+4 0 *********** CCCS-gly-met
+     1                    5.59661E-01      -4.30726E-01
+     2                    1.59708E-02       3.21011E-01
+     3                    1.41705E-01       5.97102E-02
+     4                    6.16920E-03      -2.23828E-02
+4 0 *********** CCCS-gly-phe
+     1                    6.31592E-01      -4.93574E-01
+     2                    2.94775E-01       2.32488E-01
+     3                    8.39615E-02      -7.91540E-02
+     4                    9.13991E-03      -2.63888E-02
+4 0 *********** CCCS-gly-ile
+     1                    7.12981E-01      -5.34709E-01
+     2                   -1.27405E-02       5.03012E-01
+     3                    2.43981E-01       5.88027E-02
+     4                   -3.82917E-02      -2.25025E-02
+4 0 *********** CCCS-gly-leu
+     1                    3.09062E-01      -5.62007E-01
+     2                    2.56275E-01       6.35740E-01
+     3                    1.29028E-01      -3.73514E-02
+     4                   -3.11769E-02       1.22591E-01
+4 0 *********** CCCS-gly-val
+     1                    6.23875E-01      -5.04248E-01
+     2                    6.09769E-02       5.57747E-01
+     3                    2.26979E-01       6.63831E-02
+     4                   -4.14762E-02       1.60595E-02
+4 0 *********** CCCS-gly-trp
+     1                    6.24927E-01      -5.51690E-01
+     2                    1.61460E-01       2.34716E-01
+     3                    1.14487E-01      -5.02453E-02
+     4                   -7.56294E-03      -3.44011E-02
+4 0 *********** CCCS-gly-tyr
+     1                    6.17606E-01      -4.90395E-01
+     2                    2.79775E-01       2.04943E-01
+     3                    7.73478E-02      -8.23004E-02
+     4                    9.25598E-03      -4.02325E-02
+4 0 *********** CCCS-gly-ala
+     1                    3.79194E-01      -3.71425E-01
+     2                   -4.16749E-01       5.89014E-01
+     3                    1.03228E-01       1.14247E-01
+     4                   -1.09076E-01      -9.45324E-02
+4 0 *********** CCCS-gly-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-gly-thr
+     1                    6.57016E-01      -5.23203E-01
+     2                   -1.55691E-01       4.36606E-01
+     3                    1.63097E-01       7.72411E-02
+     4                   -5.08481E-02      -5.09956E-02
+4 0 *********** CCCS-gly-ser
+     1                    1.38111E+00      -7.82855E-02
+     2                   -4.27476E-01      -9.10809E-02
+     3                    4.91534E-02       1.05681E-01
+     4                    2.23522E-01      -1.77805E-02
+4 0 *********** CCCS-gly-gln
+     1                    7.31678E-01      -4.64989E-01
+     2                   -1.82075E-01       1.90454E-01
+     3                    9.44762E-02      -1.36678E-02
+     4                   -8.83443E-03      -7.23257E-02
+4 0 *********** CCCS-gly-asn
+     1                    1.10318E+00      -1.62883E-01
+     2                   -3.33718E-01      -1.57769E-01
+     3                    8.30386E-03       8.43924E-02
+     4                    1.23489E-01      -1.06169E-02
+4 0 *********** CCCS-gly-glu
+     1                    7.71618E-01      -5.64459E-01
+     2                   -1.20693E-01       2.82620E-01
+     3                    1.39428E-01      -3.01628E-02
+     4                   -4.97869E-02      -6.92910E-02
+4 0 *********** CCCS-gly-asp
+     1                    1.23444E+00      -1.45663E-01
+     2                   -3.65504E-01      -1.04661E-01
+     3                   -1.21221E-02       1.18730E-01
+     4                    1.36505E-01      -1.49867E-02
+4 0 *********** CCCS-gly-his
+     1                    1.09895E+00      -2.02858E-01
+     2                   -1.98594E-01      -1.80072E-01
+     3                    9.81912E-02       1.20783E-01
+     4                    1.24016E-01       1.69661E-03
+4 0 *********** CCCS-gly-arg
+     1                    4.39569E-01      -5.16540E-01
+     2                    1.63975E-01       3.16742E-01
+     3                    1.08828E-01      -4.63823E-02
+     4                   -3.80107E-03       2.77407E-02
+4 0 *********** CCCS-gly-lys
+     1                    3.13346E-01      -5.05745E-01
+     2                    1.34799E-01       4.28675E-01
+     3                    1.08750E-01       2.69008E-02
+     4                   -6.54716E-03       3.14417E-02
+4 0 *********** CCCS-gly-pro
+     1                    9.51272E-01      -2.20991E-01
+     2                   -1.33605E-01      -2.03419E-01
+     3                    9.40695E-02       4.48809E-01
+     4                   -2.76656E-01      -6.75602E-01
+4 0 *********** CCCS-thr-cys
+     1                   -9.08281E-01      -3.01908E-01
+     2                    1.22001E-01      -1.73580E-01
+     3                    9.59156E-02      -5.68275E-02
+     4                   -4.85807E-02       3.02211E-02
+4 0 *********** CCCS-thr-met
+     1                   -5.99276E-01       8.31179E-02
+     2                   -1.73015E-01      -4.98070E-02
+     3                    3.09270E-02      -4.60290E-02
+     4                    1.14955E-02       4.59420E-02
+4 0 *********** CCCS-thr-phe
+     1                   -6.12939E-01       1.38964E-01
+     2                   -1.40114E-01       8.16806E-02
+     3                   -7.88300E-02      -1.33683E-02
+     4                    5.48961E-02       1.08369E-02
+4 0 *********** CCCS-thr-ile
+     1                   -7.53367E-01       1.22220E-01
+     2                   -2.23915E-01      -1.18124E-01
+     3                    2.93067E-02      -1.05475E-01
+     4                    1.74803E-02       7.51009E-02
+4 0 *********** CCCS-thr-leu
+     1                   -5.00823E-01       3.19599E-01
+     2                   -3.79156E-01       6.48330E-02
+     3                   -2.52279E-02      -5.60938E-02
+     4                    6.15224E-02       3.48828E-02
+4 0 *********** CCCS-thr-val
+     1                   -6.66163E-01       1.57839E-01
+     2                   -2.82039E-01      -6.85402E-02
+     3                    2.84170E-02      -8.92678E-02
+     4                    3.68848E-02       7.29793E-02
+4 0 *********** CCCS-thr-trp
+     1                   -6.67197E-01       1.59905E-01
+     2                   -1.32462E-01       4.54309E-03
+     3                   -4.41262E-02      -2.98930E-02
+     4                    4.77017E-02       2.33546E-02
+4 0 *********** CCCS-thr-tyr
+     1                   -6.05186E-01       1.32909E-01
+     2                   -1.27191E-01       7.92306E-02
+     3                   -7.55896E-02      -1.24676E-02
+     4                    5.38346E-02       1.19690E-02
+4 0 *********** CCCS-thr-ala
+     1                   -4.92108E-01       7.29893E-02
+     2                   -2.94868E-01      -2.89306E-01
+     3                    7.57361E-02      -3.65210E-02
+     4                   -5.57898E-02       3.86971E-02
+4 0 *********** CCCS-thr-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-thr-thr
+     1                   -7.45482E-01       9.60972E-02
+     2                   -1.90156E-01      -1.75476E-01
+     3                    3.87974E-02      -7.26032E-02
+     4                   -1.74927E-02       6.66013E-02
+4 0 *********** CCCS-thr-ser
+     1                   -1.16265E+00      -5.77886E-01
+     2                    3.67680E-01      -6.64155E-02
+     3                    4.94013E-02      -1.47955E-01
+     4                   -2.71067E-02      -2.54014E-03
+4 0 *********** CCCS-thr-gln
+     1                   -7.72626E-01      -6.76124E-03
+     2                   -4.44939E-02      -1.74265E-01
+     3                   -2.88422E-02      -7.51459E-02
+     4                   -1.11548E-02       5.16024E-02
+4 0 *********** CCCS-thr-asn
+     1                   -9.17112E-01      -4.37406E-01
+     2                    2.66940E-01      -1.36434E-01
+     3                    3.00889E-02      -4.33786E-02
+     4                    9.23315E-03      -1.18078E-02
+4 0 *********** CCCS-thr-glu
+     1                   -8.40641E-01       6.81535E-02
+     2                   -8.78889E-02      -1.68137E-01
+     3                   -3.19566E-02      -9.00317E-02
+     4                    5.28663E-03       5.34595E-02
+4 0 *********** CCCS-thr-asp
+     1                   -1.02189E+00      -4.79146E-01
+     2                    2.95262E-01      -1.28086E-01
+     3                    2.31717E-02      -4.87398E-02
+     4                    1.39044E-02      -1.88108E-02
+4 0 *********** CCCS-thr-his
+     1                   -8.80916E-01      -4.26539E-01
+     2                    2.42448E-01      -9.14291E-02
+     3                    1.05248E-01      -4.81750E-02
+     4                   -1.92150E-02      -4.72863E-02
+4 0 *********** CCCS-thr-arg
+     1                   -5.48048E-01       2.09077E-01
+     2                   -1.99186E-01       4.01057E-02
+     3                   -2.39989E-02      -5.14240E-02
+     4                    2.87024E-02       2.01337E-02
+4 0 *********** CCCS-thr-lys
+     1                   -4.75450E-01       2.54118E-01
+     2                   -2.76141E-01       3.68121E-02
+     3                    1.98402E-02      -3.23959E-02
+     4                    3.17753E-02       2.41329E-02
+4 0 *********** CCCS-thr-pro
+     1                   -1.46596E+00      -1.78082E-01
+     2                    3.64356E-01      -2.36500E-01
+     3                   -2.18599E-01      -2.65481E-01
+     4                    2.98444E-02      -8.51331E-03
+4 0 *********** CCCS-ser-cys
+     1                   -1.04837E+00      -6.10995E-01
+     2                   -1.41701E-01      -2.85795E-01
+     3                    2.72913E-01      -5.66441E-02
+     4                   -1.15430E-01       1.18261E-01
+4 0 *********** CCCS-ser-met
+     1                   -7.53509E-01      -1.07956E-01
+     2                   -3.96696E-01       7.46363E-02
+     3                    1.45212E-01      -1.03265E-01
+     4                   -5.12330E-03       4.33481E-02
+4 0 *********** CCCS-ser-phe
+     1                   -8.86745E-01      -1.49766E-01
+     2                   -2.52304E-01       3.97771E-01
+     3                   -3.63396E-02      -1.43342E-01
+     4                    3.20231E-02       6.09485E-02
+4 0 *********** CCCS-ser-ile
+     1                   -9.81862E-01      -1.93356E-01
+     2                   -6.47003E-01       1.05026E-01
+     3                    2.60292E-01      -1.94239E-01
+     4                   -1.34015E-03      -6.87713E-04
+4 0 *********** CCCS-ser-leu
+     1                   -6.55843E-01       1.84284E-01
+     2                   -7.79829E-01       3.69260E-01
+     3                    9.90230E-02      -1.49577E-01
+     4                    2.84450E-02      -5.30532E-02
+4 0 *********** CCCS-ser-val
+     1                   -8.84912E-01      -1.43814E-01
+     2                   -7.19527E-01       1.80517E-01
+     3                    2.55997E-01      -1.65153E-01
+     4                    2.14705E-02      -1.71934E-02
+4 0 *********** CCCS-ser-trp
+     1                   -9.10824E-01      -7.98788E-02
+     2                   -2.66428E-01       2.50268E-01
+     3                    1.56151E-03      -1.57157E-01
+     4                    3.90715E-02       6.46676E-02
+4 0 *********** CCCS-ser-tyr
+     1                   -8.72452E-01      -1.33650E-01
+     2                   -2.16929E-01       3.71744E-01
+     3                   -4.87209E-02      -1.43150E-01
+     4                    4.01808E-02       7.72556E-02
+4 0 *********** CCCS-ser-ala
+     1                   -5.84042E-01       2.54320E-02
+     2                   -7.23774E-01      -4.84211E-01
+     3                    2.01131E-01       1.15642E-02
+     4                    2.58175E-02       4.67270E-02
+4 0 *********** CCCS-ser-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-ser-thr
+     1                   -9.04091E-01      -1.14038E-01
+     2                   -5.51718E-01      -1.18229E-01
+     3                    1.98503E-01      -1.00926E-01
+     4                   -5.00525E-03       2.62573E-02
+4 0 *********** CCCS-ser-ser
+     1                   -1.21903E+00      -1.13590E+00
+     2                    1.10102E-01      -4.44413E-01
+     3                    8.51782E-02      -3.48694E-02
+     4                   -1.04601E-01       1.08914E-02
+4 0 *********** CCCS-ser-gln
+     1                   -9.00164E-01      -1.94782E-01
+     2                   -2.32413E-01      -1.81809E-01
+     3                    3.42637E-03      -1.34012E-01
+     4                   -1.13839E-02       8.78613E-02
+4 0 *********** CCCS-ser-asn
+     1                   -1.00506E+00      -7.20429E-01
+     2                    1.84999E-01      -3.76506E-01
+     3                    2.75927E-02      -1.52767E-02
+     4                   -3.90060E-02       7.92171E-02
+4 0 *********** CCCS-ser-glu
+     1                   -1.01415E+00      -1.64873E-01
+     2                   -3.38425E-01      -8.18384E-02
+     3                    2.91754E-02      -1.74557E-01
+     4                    2.24211E-02       6.18333E-02
+4 0 *********** CCCS-ser-asp
+     1                   -1.10875E+00      -8.78415E-01
+     2                    1.03249E-01      -4.25272E-01
+     3                    1.91494E-02       6.71157E-02
+     4                   -1.74906E-02       6.09993E-02
+4 0 *********** CCCS-ser-his
+     1                   -1.05074E+00      -6.95434E-01
+     2                    2.12439E-01      -1.69617E-01
+     3                    2.07914E-01      -5.80538E-02
+     4                   -2.43340E-02      -1.00341E-02
+4 0 *********** CCCS-ser-arg
+     1                   -7.23069E-01       4.20717E-02
+     2                   -3.65552E-01       2.58250E-01
+     3                    4.00962E-02      -1.34337E-01
+     4                   -1.39705E-02      -6.73942E-03
+4 0 *********** CCCS-ser-lys
+     1                   -6.17249E-01       1.39288E-01
+     2                   -5.23413E-01       2.16254E-01
+     3                    1.24271E-01      -8.68823E-02
+     4                    1.69791E-02      -1.07765E-02
+4 0 *********** CCCS-ser-pro
+     1                   -1.80852E+00      -1.13946E+00
+     2                   -2.23424E-01      -3.04544E-01
+     3                   -2.06562E-02      -2.72521E-01
+     4                   -1.05566E-01       1.34185E-01
+4 0 *********** CCCS-gln-cys
+     1                   -8.92424E-01      -5.07387E-01
+     2                   -2.42104E-02      -4.24023E-02
+     3                    1.02088E-01      -1.39458E-01
+     4                   -9.38427E-03       5.45754E-02
+4 0 *********** CCCS-gln-met
+     1                   -6.52447E-01      -1.51895E-02
+     2                   -1.90492E-01       6.94244E-02
+     3                    3.21838E-02      -7.49475E-02
+     4                   -2.23481E-03       3.86823E-02
+4 0 *********** CCCS-gln-phe
+     1                   -7.26817E-01       3.40560E-02
+     2                   -7.70293E-02       2.09886E-01
+     3                   -9.15611E-02      -3.53401E-02
+     4                    5.22865E-02       4.07427E-02
+4 0 *********** CCCS-gln-ile
+     1                   -8.16693E-01      -5.89724E-02
+     2                   -2.43021E-01       7.80091E-02
+     3                    2.10517E-02      -1.25236E-01
+     4                   -3.01370E-02       3.17542E-02
+4 0 *********** CCCS-gln-leu
+     1                   -5.65181E-01       1.91999E-01
+     2                   -3.29198E-01       2.16747E-01
+     3                    2.92818E-03      -4.08838E-02
+     4                   -2.38458E-02       5.62057E-02
+4 0 *********** CCCS-gln-val
+     1                   -7.29652E-01      -3.69959E-03
+     2                   -2.89669E-01       1.14813E-01
+     3                    3.10314E-02      -1.01801E-01
+     4                   -2.27825E-02       4.27327E-02
+4 0 *********** CCCS-gln-trp
+     1                   -7.66079E-01       5.39907E-02
+     2                   -9.03988E-02       1.34352E-01
+     3                   -6.45456E-02      -5.61522E-02
+     4                    4.25952E-02       3.57759E-02
+4 0 *********** CCCS-gln-tyr
+     1                   -7.16548E-01       3.52292E-02
+     2                   -6.46610E-02       1.99411E-01
+     3                   -9.15575E-02      -3.54834E-02
+     4                    5.79160E-02       4.34072E-02
+4 0 *********** CCCS-gln-ala
+     1                   -4.87342E-01      -3.86897E-02
+     2                   -3.86278E-01      -1.76526E-01
+     3                    5.77582E-02      -1.40930E-02
+     4                   -3.92891E-02      -5.27642E-02
+4 0 *********** CCCS-gln-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-gln-thr
+     1                   -7.80760E-01      -6.13841E-02
+     2                   -2.35612E-01      -1.24991E-02
+     3                    2.49293E-02      -8.20607E-02
+     4                   -3.06675E-02       6.90262E-03
+4 0 *********** CCCS-gln-ser
+     1                   -1.03788E+00      -8.88069E-01
+     2                    5.34243E-02       5.10125E-02
+     3                    1.50205E-01      -2.08371E-01
+     4                   -3.01558E-02       2.63968E-02
+4 0 *********** CCCS-gln-gln
+     1                   -8.04285E-01      -1.29508E-01
+     2                   -9.34017E-02      -6.37414E-02
+     3                   -5.87788E-02      -9.53064E-02
+     4                    1.00333E-03       3.02731E-02
+4 0 *********** CCCS-gln-asn
+     1                   -8.38358E-01      -6.14264E-01
+     2                    8.17134E-02      -9.24163E-02
+     3                    5.51736E-02      -1.03468E-01
+     4                    2.68239E-02       5.56177E-02
+4 0 *********** CCCS-gln-glu
+     1                   -8.96027E-01      -8.93257E-02
+     2                   -1.12126E-01      -9.88092E-03
+     3                   -6.86206E-02      -1.06623E-01
+     4                    1.56355E-03       1.49187E-02
+4 0 *********** CCCS-gln-asp
+     1                   -9.22333E-01      -7.13812E-01
+     2                    5.02866E-02      -5.05264E-02
+     3                    7.80833E-02      -1.05819E-01
+     4                    2.92431E-02       4.29878E-02
+4 0 *********** CCCS-gln-his
+     1                   -8.45032E-01      -5.83060E-01
+     2                    1.08484E-01      -2.73417E-02
+     3                    1.30266E-01      -1.25573E-01
+     4                    1.45373E-02       5.90930E-03
+4 0 *********** CCCS-gln-arg
+     1                   -6.20503E-01       1.20432E-01
+     2                   -1.63002E-01       1.57146E-01
+     3                   -2.74049E-02      -5.80091E-02
+     4                   -8.73186E-03       2.35626E-02
+4 0 *********** CCCS-gln-lys
+     1                   -5.28575E-01       1.73025E-01
+     2                   -2.56094E-01       1.51170E-01
+     3                    3.46088E-02      -3.83785E-02
+     4                   -5.83263E-03       2.90363E-02
+4 0 *********** CCCS-gln-pro
+     1                   -1.54478E+00      -7.03617E-01
+     2                    1.77756E-01       2.22580E-01
+     3                   -8.84134E-02      -4.66760E-01
+     4                   -7.23375E-02       1.06350E-01
+4 0 *********** CCCS-asn-cys
+     1                   -9.82525E-01      -3.51632E-01
+     2                   -2.52515E-01      -1.11964E-01
+     3                    1.39576E-01      -1.96110E-01
+     4                   -4.65103E-03       8.79464E-02
+4 0 *********** CCCS-asn-met
+     1                   -6.91677E-01       7.41541E-02
+     2                   -2.56189E-01       2.36130E-01
+     3                    1.10713E-02      -1.44067E-01
+     4                    3.06039E-02       2.74767E-02
+4 0 *********** CCCS-asn-phe
+     1                   -8.00835E-01       1.00115E-01
+     2                   -1.07459E-02       3.91741E-01
+     3                   -1.24297E-01      -2.84366E-02
+     4                    6.54387E-02      -3.93435E-03
+4 0 *********** CCCS-asn-ile
+     1                   -8.79446E-01       4.35312E-02
+     2                   -3.90415E-01       3.37774E-01
+     3                   -7.49679E-03      -2.43611E-01
+     4                    6.60991E-03       3.25451E-02
+4 0 *********** CCCS-asn-leu
+     1                   -5.41915E-01       2.78822E-01
+     2                   -3.53500E-01       5.72411E-01
+     3                   -4.69218E-02      -8.76969E-02
+     4                   -2.13995E-02      -1.69204E-03
+4 0 *********** CCCS-asn-val
+     1                   -7.84056E-01       7.67350E-02
+     2                   -4.05088E-01       4.09834E-01
+     3                    6.41454E-03      -2.09256E-01
+     4                    1.00253E-02       1.59303E-02
+4 0 *********** CCCS-asn-trp
+     1                   -8.15609E-01       1.46881E-01
+     2                   -8.28472E-02       2.99037E-01
+     3                   -1.03392E-01      -7.04564E-02
+     4                    6.42105E-02      -3.85424E-03
+4 0 *********** CCCS-asn-tyr
+     1                   -7.88025E-01       1.06272E-01
+     2                    2.66433E-03       3.62107E-01
+     3                   -1.27500E-01      -2.45225E-02
+     4                    7.87480E-02      -3.57991E-03
+4 0 *********** CCCS-asn-ala
+     1                   -5.02302E-01       7.78595E-02
+     2                   -6.89111E-01      -3.28269E-03
+     3                    8.33343E-02      -1.01783E-01
+     4                    4.50539E-03      -2.04876E-02
+4 0 *********** CCCS-asn-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-asn-thr
+     1                   -8.11013E-01       6.59891E-02
+     2                   -4.26966E-01       1.74948E-01
+     3                    1.65546E-02      -1.73767E-01
+     4                    1.62799E-02       1.83886E-02
+4 0 *********** CCCS-asn-ser
+     1                   -1.06150E+00      -7.20223E-01
+     2                   -2.64205E-01      -2.70668E-01
+     3                    1.82935E-01      -1.36872E-01
+     4                   -8.21001E-02       2.23903E-02
+4 0 *********** CCCS-asn-gln
+     1                   -8.31456E-01       6.94561E-03
+     2                   -2.57390E-01      -6.59889E-04
+     3                   -9.34647E-02      -1.03075E-01
+     4                    5.54687E-02       4.35942E-02
+4 0 *********** CCCS-asn-asn
+     1                   -9.21745E-01      -4.50877E-01
+     2                   -1.26524E-01      -3.04363E-01
+     3                    8.91806E-02      -6.87808E-02
+     4                    3.45027E-03       4.84865E-02
+4 0 *********** CCCS-asn-glu
+     1                   -9.20190E-01       5.35560E-02
+     2                   -2.79315E-01       1.17997E-01
+     3                   -1.06749E-01      -1.38302E-01
+     4                    4.73823E-02       2.11619E-02
+4 0 *********** CCCS-asn-asp
+     1                   -1.00292E+00      -5.61433E-01
+     2                   -2.15450E-01      -2.73663E-01
+     3                    1.43746E-01      -4.62991E-02
+     4                   -2.84376E-03       2.89608E-02
+4 0 *********** CCCS-asn-his
+     1                   -9.46800E-01      -4.06137E-01
+     2                   -2.58896E-02      -2.06499E-01
+     3                    1.62179E-01      -1.74252E-01
+     4                   -5.68963E-02      -5.58782E-03
+4 0 *********** CCCS-asn-arg
+     1                   -6.34581E-01       2.06273E-01
+     2                   -1.47943E-01       3.52432E-01
+     3                   -7.07501E-02      -8.73140E-02
+     4                   -7.27691E-03       1.39072E-02
+4 0 *********** CCCS-asn-lys
+     1                   -5.18691E-01       2.52763E-01
+     2                   -2.70015E-01       3.87332E-01
+     3                    1.24213E-02      -9.85008E-02
+     4                   -1.38280E-04      -9.05424E-04
+4 0 *********** CCCS-asn-pro
+     1                   -1.35260E+00      -5.40866E-01
+     2                   -4.23502E-01       7.57498E-02
+     3                   -9.66377E-03      -3.95838E-01
+     4                   -1.07416E-01       1.33385E-01
+4 0 *********** CCCS-glu-cys
+     1                   -9.26658E-01      -5.25130E-01
+     2                   -1.46141E-02      -8.43380E-02
+     3                    1.18348E-01      -1.11715E-01
+     4                   -2.52483E-02       5.22072E-02
+4 0 *********** CCCS-glu-met
+     1                   -6.70146E-01      -2.45277E-02
+     2                   -2.20947E-01       5.40152E-02
+     3                    5.24231E-02      -7.59906E-02
+     4                   -3.45329E-03       4.10627E-02
+4 0 *********** CCCS-glu-phe
+     1                   -7.46132E-01       1.54575E-02
+     2                   -1.12917E-01       2.21803E-01
+     3                   -8.16859E-02      -5.39614E-02
+     4                    5.01778E-02       4.34568E-02
+4 0 *********** CCCS-glu-ile
+     1                   -8.39765E-01      -6.34876E-02
+     2                   -2.92138E-01       4.98946E-02
+     3                    5.66111E-02      -1.30373E-01
+     4                   -2.67769E-02       3.74880E-02
+4 0 *********** CCCS-glu-leu
+     1                   -5.78575E-01       2.02103E-01
+     2                   -3.98231E-01       2.12278E-01
+     3                    1.49364E-02      -5.94025E-02
+     4                   -1.26158E-02       4.46635E-02
+4 0 *********** CCCS-glu-val
+     1                   -7.49311E-01      -7.45102E-03
+     2                   -3.44907E-01       9.25320E-02
+     3                    6.20556E-02      -1.08748E-01
+     4                   -1.58245E-02       4.46948E-02
+4 0 *********** CCCS-glu-trp
+     1                   -7.88016E-01       4.08201E-02
+     2                   -1.22548E-01       1.35274E-01
+     3                   -5.01657E-02      -7.13558E-02
+     4                    4.18897E-02       4.10282E-02
+4 0 *********** CCCS-glu-tyr
+     1                   -7.36009E-01       1.70572E-02
+     2                   -9.74425E-02       2.10864E-01
+     3                   -8.25035E-02      -5.34527E-02
+     4                    5.51966E-02       4.71361E-02
+4 0 *********** CCCS-glu-ala
+     1                   -5.03992E-01      -2.97856E-02
+     2                   -4.18076E-01      -2.36919E-01
+     3                    7.80568E-02      -7.41743E-03
+     4                   -3.12610E-02      -3.56243E-02
+4 0 *********** CCCS-glu-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-glu-thr
+     1                   -8.04543E-01      -6.20769E-02
+     2                   -2.72922E-01      -5.06136E-02
+     3                    5.50426E-02      -8.02036E-02
+     4                   -2.90912E-02       1.44716E-02
+4 0 *********** CCCS-glu-ser
+     1                   -1.10702E+00      -9.22384E-01
+     2                    1.12736E-01       8.19736E-03
+     3                    1.30474E-01      -1.88277E-01
+     4                   -3.04892E-02       2.35917E-02
+4 0 *********** CCCS-glu-gln
+     1                   -8.28918E-01      -1.37209E-01
+     2                   -1.06707E-01      -9.58291E-02
+     3                   -4.04594E-02      -9.53937E-02
+     4                   -3.91334E-03       3.89483E-02
+4 0 *********** CCCS-glu-asn
+     1                   -8.85321E-01      -6.34665E-01
+     2                    1.27028E-01      -1.28080E-01
+     3                    4.17177E-02      -8.32055E-02
+     4                    2.28902E-02       5.16544E-02
+4 0 *********** CCCS-glu-glu
+     1                   -9.23757E-01      -9.51260E-02
+     2                   -1.38889E-01      -4.10626E-02
+     3                   -4.33032E-02      -1.12057E-01
+     4                    7.27614E-04       2.53686E-02
+4 0 *********** CCCS-glu-asp
+     1                   -9.77706E-01      -7.38687E-01
+     2                    9.78649E-02      -9.31284E-02
+     3                    5.92724E-02      -7.92006E-02
+     4                    3.02832E-02       3.85875E-02
+4 0 *********** CCCS-glu-his
+     1                   -8.93583E-01      -6.06150E-01
+     2                    1.48877E-01      -4.86929E-02
+     3                    1.28527E-01      -1.05344E-01
+     4                    1.04248E-02      -9.87261E-05
+4 0 *********** CCCS-glu-arg
+     1                   -6.37452E-01       1.14969E-01
+     2                   -2.00239E-01       1.56626E-01
+     3                   -1.47293E-02      -7.20167E-02
+     4                   -6.09780E-03       2.15053E-02
+4 0 *********** CCCS-glu-lys
+     1                   -5.43918E-01       1.75298E-01
+     2                   -3.01529E-01       1.44322E-01
+     3                    4.75835E-02      -4.73502E-02
+     4                   -4.03201E-04       2.48047E-02
+4 0 *********** CCCS-glu-pro
+     1                   -1.67644E+00      -7.35341E-01
+     2                    2.37419E-01       1.70243E-01
+     3                   -1.04694E-01      -4.62205E-01
+     4                   -6.66424E-02       1.21892E-01
+4 0 *********** CCCS-asp-cys
+     1                   -1.03238E+00      -2.69353E-01
+     2                   -1.16102E-01      -1.92723E-01
+     3                    2.01706E-01      -1.68112E-01
+     4                   -5.06421E-02       1.21374E-01
+4 0 *********** CCCS-asp-met
+     1                   -6.63656E-01       1.16359E-01
+     2                   -2.65698E-01       1.09534E-01
+     3                    2.43880E-02      -1.33974E-01
+     4                    3.02189E-02       4.72081E-02
+4 0 *********** CCCS-asp-phe
+     1                   -7.28477E-01       1.52816E-01
+     2                   -8.33367E-02       2.72364E-01
+     3                   -1.44641E-01      -3.77114E-02
+     4                    8.48424E-02       1.22855E-02
+4 0 *********** CCCS-asp-ile
+     1                   -8.27894E-01       1.62544E-01
+     2                   -3.95099E-01       1.22719E-01
+     3                    5.87906E-03      -2.42851E-01
+     4                    3.67157E-02       5.84739E-02
+4 0 *********** CCCS-asp-leu
+     1                   -4.99550E-01       3.71081E-01
+     2                   -4.24432E-01       3.79671E-01
+     3                   -7.57202E-02      -9.18426E-02
+     4                   -2.69963E-03       1.11169E-02
+4 0 *********** CCCS-asp-val
+     1                   -7.27116E-01       1.90071E-01
+     2                   -4.23302E-01       1.91954E-01
+     3                    4.45001E-03      -2.05201E-01
+     4                    3.69698E-02       4.86853E-02
+4 0 *********** CCCS-asp-trp
+     1                   -7.63719E-01       1.93795E-01
+     2                   -1.35580E-01       1.80915E-01
+     3                   -1.04279E-01      -8.15742E-02
+     4                    8.03391E-02       1.55771E-02
+4 0 *********** CCCS-asp-tyr
+     1                   -7.21039E-01       1.50123E-01
+     2                   -6.83138E-02       2.55494E-01
+     3                   -1.41767E-01      -3.74128E-02
+     4                    9.22455E-02       1.67042E-02
+4 0 *********** CCCS-asp-ala
+     1                   -5.09884E-01       1.39071E-01
+     2                   -5.82229E-01      -1.54482E-01
+     3                    9.77774E-02      -1.06883E-01
+     4                   -2.92733E-03      -2.38612E-02
+4 0 *********** CCCS-asp-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-asp-thr
+     1                   -7.99522E-01       1.54752E-01
+     2                   -3.92486E-01       1.11183E-03
+     3                    3.69199E-02      -1.83457E-01
+     4                    1.94077E-02       4.26303E-02
+4 0 *********** CCCS-asp-ser
+     1                   -1.25847E+00      -5.72311E-01
+     2                    2.41234E-02      -2.26461E-01
+     3                    2.55803E-01      -1.50901E-01
+     4                   -1.31135E-01       4.34524E-02
+4 0 *********** CCCS-asp-gln
+     1                   -8.42532E-01       4.91175E-02
+     2                   -1.97402E-01      -9.06725E-02
+     3                   -5.70772E-02      -1.42998E-01
+     4                    3.33244E-02       5.77983E-02
+4 0 *********** CCCS-asp-asn
+     1                   -1.01863E+00      -3.89292E-01
+     2                    5.89818E-02      -2.90567E-01
+     3                    1.22241E-01      -5.43853E-02
+     4                   -2.25735E-02       5.73810E-02
+4 0 *********** CCCS-asp-glu
+     1                   -9.17838E-01       1.24982E-01
+     2                   -2.43633E-01      -1.51522E-02
+     3                   -7.86179E-02      -1.80395E-01
+     4                    5.14711E-02       3.89096E-02
+4 0 *********** CCCS-asp-asp
+     1                   -1.12525E+00      -4.49970E-01
+     2                    2.53964E-02      -2.80697E-01
+     3                    1.65651E-01      -4.47945E-02
+     4                   -4.13656E-02       3.97728E-02
+4 0 *********** CCCS-asp-his
+     1                   -1.01495E+00      -3.76970E-01
+     2                    9.53177E-02      -2.00818E-01
+     3                    1.99753E-01      -1.02406E-01
+     4                   -4.17618E-02       4.63318E-03
+4 0 *********** CCCS-asp-arg
+     1                   -5.98206E-01       2.46214E-01
+     2                   -2.08682E-01       2.35004E-01
+     3                   -6.96239E-02      -8.82442E-02
+     4                    9.57137E-03       9.18069E-03
+4 0 *********** CCCS-asp-lys
+     1                   -4.95051E-01       2.98865E-01
+     2                   -3.21343E-01       2.49375E-01
+     3                    5.96272E-03      -8.47740E-02
+     4                    1.62699E-02       1.39569E-02
+4 0 *********** CCCS-asp-pro
+     1                   -1.81100E+00      -4.71232E-01
+     2                   -9.66277E-02       5.29642E-02
+     3                    1.70153E-01      -5.59350E-01
+     4                   -2.69981E-01       7.46327E-02
+4 0 *********** CCCS-his-cys
+     1                   -1.02326E+00      -5.38369E-01
+     2                   -1.32305E-01      -1.06083E-01
+     3                    1.17097E-01      -1.55663E-01
+     4                   -1.53219E-02       7.94010E-02
+4 0 *********** CCCS-his-met
+     1                   -7.26939E-01      -1.67835E-02
+     2                   -2.86022E-01       1.64223E-01
+     3                    6.04967E-02      -1.20698E-01
+     4                    1.14318E-02       4.16890E-02
+4 0 *********** CCCS-his-phe
+     1                   -8.46965E-01      -4.14579E-03
+     2                   -9.31771E-02       3.69304E-01
+     3                   -8.63275E-02      -6.75627E-02
+     4                    6.24307E-02       3.01409E-02
+4 0 *********** CCCS-his-ile
+     1                   -9.33521E-01      -9.30719E-02
+     2                   -4.16225E-01       2.26055E-01
+     3                    8.54612E-02      -1.90131E-01
+     4                   -3.00510E-02       3.43145E-02
+4 0 *********** CCCS-his-leu
+     1                   -6.13861E-01       2.03048E-01
+     2                   -4.71376E-01       4.34944E-01
+     3                    3.79951E-02      -1.01434E-01
+     4                   -6.25438E-03       2.82259E-02
+4 0 *********** CCCS-his-val
+     1                   -8.32966E-01      -4.00007E-02
+     2                   -4.62507E-01       2.88943E-01
+     3                    9.71576E-02      -1.66055E-01
+     4                   -1.14748E-02       2.99271E-02
+4 0 *********** CCCS-his-trp
+     1                   -8.72612E-01       4.41267E-02
+     2                   -1.32333E-01       2.60605E-01
+     3                   -6.21711E-02      -9.47167E-02
+     4                    5.89300E-02       3.00581E-02
+4 0 *********** CCCS-his-tyr
+     1                   -8.33077E-01       5.75024E-03
+     2                   -7.30970E-02       3.43517E-01
+     3                   -9.45024E-02      -6.46969E-02
+     4                    7.58655E-02       3.45212E-02
+4 0 *********** CCCS-his-ala
+     1                   -5.32467E-01      -8.03660E-03
+     2                   -6.24910E-01      -1.79773E-01
+     3                    1.14465E-01      -2.00410E-02
+     4                   -3.26442E-02      -2.13283E-02
+4 0 *********** CCCS-his-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-his-thr
+     1                   -8.64016E-01      -5.70001E-02
+     2                   -4.14313E-01       5.71780E-02
+     3                    8.06841E-02      -1.11773E-01
+     4                   -2.45426E-02       1.30547E-02
+4 0 *********** CCCS-his-ser
+     1                   -1.18836E+00      -1.02027E+00
+     2                   -3.02832E-02      -1.63870E-01
+     3                    5.58247E-02      -1.64973E-01
+     4                   -1.26828E-02       3.25314E-02
+4 0 *********** CCCS-his-gln
+     1                   -8.82102E-01      -1.08999E-01
+     2                   -2.02016E-01      -7.18844E-02
+     3                   -7.27482E-02      -9.03949E-02
+     4                    2.13206E-02       5.10057E-02
+4 0 *********** CCCS-his-asn
+     1                   -9.72049E-01      -6.32958E-01
+     2                    5.23451E-02      -2.54655E-01
+     3                   -6.29446E-03      -7.50023E-02
+     4                    5.00907E-02       6.28422E-02
+4 0 *********** CCCS-his-glu
+     1                   -9.90556E-01      -7.69450E-02
+     2                   -2.40946E-01       3.04749E-02
+     3                   -6.43926E-02      -1.15558E-01
+     4                    1.53074E-02       2.73723E-02
+4 0 *********** CCCS-his-asp
+     1                   -1.06972E+00      -7.81364E-01
+     2                   -2.56562E-02      -2.26331E-01
+     3                    1.76280E-02      -3.63538E-02
+     4                    6.90605E-02       3.88689E-02
+4 0 *********** CCCS-his-his
+     1                   -1.01054E+00      -5.91953E-01
+     2                    1.27013E-01      -1.18587E-01
+     3                    1.17117E-01      -1.66741E-01
+     4                   -3.66351E-05      -6.02392E-03
+4 0 *********** CCCS-his-arg
+     1                   -6.86245E-01       1.26500E-01
+     2                   -2.16154E-01       2.92860E-01
+     3                   -1.88657E-02      -1.01456E-01
+     4                   -1.30023E-02       2.10232E-02
+4 0 *********** CCCS-his-lys
+     1                   -5.72868E-01       1.92764E-01
+     2                   -3.51296E-01       2.95718E-01
+     3                    6.67583E-02      -9.19463E-02
+     4                    5.95436E-03       1.30736E-02
+4 0 *********** CCCS-his-pro
+     1                   -1.81088E+00      -9.62880E-01
+     2                   -4.13290E-02       1.60325E-01
+     3                   -8.38799E-02      -3.98468E-01
+     4                   -1.26949E-01       6.56677E-02
+4 0 *********** CCCS-arg-cys
+     1                   -8.60019E-01      -4.02387E-01
+     2                    1.05000E-01      -3.71651E-02
+     3                    9.80543E-02      -9.57294E-02
+     4                    4.32441E-03       2.62327E-02
+4 0 *********** CCCS-arg-met
+     1                   -6.00045E-01       4.21913E-02
+     2                   -1.25392E-01      -3.14466E-02
+     3                    2.00347E-02      -5.65546E-02
+     4                   -1.25662E-02       4.42769E-02
+4 0 *********** CCCS-arg-phe
+     1                   -6.36634E-01       1.05698E-01
+     2                   -7.57701E-02       7.34952E-02
+     3                   -1.02513E-01      -3.72951E-02
+     4                    4.71804E-02       5.49243E-02
+4 0 *********** CCCS-arg-ile
+     1                   -7.57767E-01       3.93647E-02
+     2                   -1.35431E-01      -6.39326E-02
+     3                    1.45340E-02      -1.04796E-01
+     4                   -4.19706E-02       3.75250E-02
+4 0 *********** CCCS-arg-leu
+     1                   -5.26314E-01       2.56016E-01
+     2                   -2.72982E-01       3.62919E-02
+     3                   -2.01340E-02      -4.05168E-02
+     4                   -2.83457E-02       8.83989E-02
+4 0 *********** CCCS-arg-val
+     1                   -6.74523E-01       8.80890E-02
+     2                   -1.91585E-01      -3.94856E-02
+     3                    1.47026E-02      -8.64697E-02
+     4                   -3.60785E-02       6.07020E-02
+4 0 *********** CCCS-arg-trp
+     1                   -6.83791E-01       1.17301E-01
+     2                   -7.07344E-02       1.26248E-02
+     3                   -6.78684E-02      -4.78957E-02
+     4                    3.37021E-02       4.63795E-02
+4 0 *********** CCCS-arg-tyr
+     1                   -6.27300E-01       1.01348E-01
+     2                   -6.73912E-02       7.15082E-02
+     3                   -9.90035E-02      -3.67426E-02
+     4                    5.00826E-02       5.62243E-02
+4 0 *********** CCCS-arg-ala
+     1                   -4.82163E-01       8.76203E-03
+     2                   -2.13478E-01      -2.22078E-01
+     3                    5.66511E-02      -1.93504E-02
+     4                   -6.32620E-02      -7.50769E-02
+4 0 *********** CCCS-arg-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-arg-thr
+     1                   -7.41292E-01       1.79491E-02
+     2                   -1.14110E-01      -1.12274E-01
+     3                    2.09531E-02      -7.55140E-02
+     4                   -4.83518E-02       7.54308E-03
+4 0 *********** CCCS-arg-ser
+     1                   -1.08178E+00      -7.42395E-01
+     2                    2.36169E-01       1.54880E-01
+     3                    1.50230E-01      -1.86019E-01
+     4                    9.56662E-03       2.35742E-02
+4 0 *********** CCCS-arg-gln
+     1                   -7.63714E-01      -7.13278E-02
+     2                   -2.44959E-04      -1.02773E-01
+     3                   -2.83988E-02      -1.04252E-01
+     4                   -2.19452E-02       1.74852E-02
+4 0 *********** CCCS-arg-asn
+     1                   -8.44769E-01      -5.28407E-01
+     2                    1.94637E-01      -5.37759E-03
+     3                    6.93261E-02      -8.06881E-02
+     4                    4.46814E-02       4.06136E-02
+4 0 *********** CCCS-arg-glu
+     1                   -8.41862E-01      -1.32649E-02
+     2                   -1.56056E-02      -9.31546E-02
+     3                   -4.46320E-02      -1.08568E-01
+     4                   -1.99048E-02       8.70813E-03
+4 0 *********** CCCS-arg-asp
+     1                   -9.40580E-01      -5.94497E-01
+     2                    2.07471E-01       3.22621E-02
+     3                    7.42922E-02      -9.60415E-02
+     4                    5.22099E-02       3.43707E-02
+4 0 *********** CCCS-arg-his
+     1                   -8.12781E-01      -5.04109E-01
+     2                    1.78450E-01       1.32505E-02
+     3                    1.24235E-01      -5.28164E-02
+     4                    5.58702E-02      -9.35862E-03
+4 0 *********** CCCS-arg-arg
+     1                   -5.62345E-01       1.68355E-01
+     2                   -1.40534E-01       3.26282E-02
+     3                   -3.29850E-02      -4.82963E-02
+     4                   -6.41402E-03       3.43577E-02
+4 0 *********** CCCS-arg-lys
+     1                   -4.88191E-01       2.13645E-01
+     2                   -2.11967E-01       1.95535E-02
+     3                    1.16384E-02      -2.24441E-02
+     4                   -8.30089E-03       4.76400E-02
+4 0 *********** CCCS-arg-pro
+     1                   -1.55006E+00      -5.29384E-01
+     2                    4.43655E-01       1.48509E-01
+     3                   -1.04577E-01      -4.50797E-01
+     4                   -4.92987E-02       5.37380E-02
+4 0 *********** CCCS-lys-cys
+     1                   -8.57945E-01      -3.73314E-01
+     2                    1.14933E-01      -2.11371E-02
+     3                    8.36268E-02      -1.02175E-01
+     4                    1.06463E-02       2.13660E-02
+4 0 *********** CCCS-lys-met
+     1                   -5.89273E-01       6.23451E-02
+     2                   -1.04779E-01      -3.04958E-02
+     3                    1.01108E-02      -5.32766E-02
+     4                   -8.64647E-03       4.27045E-02
+4 0 *********** CCCS-lys-phe
+     1                   -6.22741E-01       1.30188E-01
+     2                   -5.64494E-02       5.91916E-02
+     3                   -1.03939E-01      -2.61833E-02
+     4                    5.14258E-02       5.05484E-02
+4 0 *********** CCCS-lys-ile
+     1                   -7.47930E-01       6.24236E-02
+     2                   -1.06004E-01      -6.04978E-02
+     3                   -5.71686E-04      -9.85706E-02
+     4                   -4.01148E-02       3.79531E-02
+4 0 *********** CCCS-lys-leu
+     1                   -5.15368E-01       2.67874E-01
+     2                   -2.39334E-01       3.11397E-02
+     3                   -2.58942E-02      -3.37048E-02
+     4                   -1.85408E-02       9.02257E-02
+4 0 *********** CCCS-lys-val
+     1                   -6.64281E-01       1.08775E-01
+     2                   -1.60067E-01      -3.75534E-02
+     3                    1.05717E-03      -8.08583E-02
+     4                   -3.17826E-02       6.07997E-02
+4 0 *********** CCCS-lys-trp
+     1                   -6.68837E-01       1.40711E-01
+     2                   -5.24290E-02       3.18997E-03
+     3                   -7.20523E-02      -3.78172E-02
+     4                    3.65417E-02       4.20063E-02
+4 0 *********** CCCS-lys-tyr
+     1                   -6.13091E-01       1.25364E-01
+     2                   -4.95788E-02       5.75949E-02
+     3                   -1.00299E-01      -2.58421E-02
+     4                    5.43450E-02       5.10909E-02
+4 0 *********** CCCS-lys-ala
+     1                   -4.77878E-01       1.91412E-02
+     2                   -1.91670E-01      -1.94850E-01
+     3                    4.91807E-02      -2.44385E-02
+     4                   -7.07822E-02      -6.64245E-02
+4 0 *********** CCCS-lys-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-lys-thr
+     1                   -7.32265E-01       3.88917E-02
+     2                   -8.93353E-02      -1.02472E-01
+     3                    8.47632E-03      -7.36822E-02
+     4                   -4.89634E-02       1.09405E-02
+4 0 *********** CCCS-lys-ser
+     1                   -1.09042E+00      -7.13201E-01
+     2                    2.37665E-01       1.82376E-01
+     3                    1.42143E-01      -2.00704E-01
+     4                    7.02171E-03       2.05770E-02
+4 0 *********** CCCS-lys-gln
+     1                   -7.55053E-01      -4.83876E-02
+     2                    1.35247E-02      -9.34263E-02
+     3                   -3.62364E-02      -9.91817E-02
+     4                   -2.13951E-02       1.67911E-02
+4 0 *********** CCCS-lys-asn
+     1                   -8.44846E-01      -5.00831E-01
+     2                    1.90252E-01       1.19835E-02
+     3                    6.41052E-02      -8.56566E-02
+     4                    4.98239E-02       3.25985E-02
+4 0 *********** CCCS-lys-glu
+     1                   -8.31436E-01       1.12945E-02
+     2                    3.97508E-03      -8.80877E-02
+     3                   -5.42010E-02      -1.00588E-01
+     4                   -2.13442E-02       8.60120E-03
+4 0 *********** CCCS-lys-asp
+     1                   -9.42319E-01      -5.64401E-01
+     2                    2.07072E-01       5.29345E-02
+     3                    6.84183E-02      -1.05422E-01
+     4                    5.47873E-02       2.86901E-02
+4 0 *********** CCCS-lys-his
+     1                   -8.09040E-01      -4.76061E-01
+     2                    1.72341E-01       2.31401E-02
+     3                    1.15193E-01      -5.76260E-02
+     4                    5.67028E-02      -1.78136E-02
+4 0 *********** CCCS-lys-arg
+     1                   -5.48948E-01       1.85786E-01
+     2                   -1.20092E-01       2.45507E-02
+     3                   -3.73639E-02      -4.06512E-02
+     4                   -3.63217E-03       3.57043E-02
+4 0 *********** CCCS-lys-lys
+     1                   -4.75770E-01       2.26095E-01
+     2                   -1.86851E-01       1.58762E-02
+     3                    5.05309E-03      -1.86031E-02
+     4                   -3.81038E-03       4.80344E-02
+4 0 *********** CCCS-lys-pro
+     1                   -1.58797E+00      -5.01675E-01
+     2                    4.92487E-01       2.05297E-01
+     3                   -1.27315E-01      -4.64023E-01
+     4                   -4.01578E-02       6.91176E-02
+4 0 *********** CCCS-pro-cys
+     1                   -1.17004E+00      -3.98677E-01
+     2                   -1.60362E-01      -1.93996E-01
+     3                    1.73518E-01      -8.37873E-02
+     4                   -5.92099E-02       1.18630E-01
+4 0 *********** CCCS-pro-met
+     1                   -7.48336E-01       6.07604E-02
+     2                   -2.78999E-01       1.90683E-01
+     3                    7.17836E-02      -1.43945E-01
+     4                    1.91651E-02       2.55350E-02
+4 0 *********** CCCS-pro-phe
+     1                   -8.80193E-01       6.47252E-02
+     2                   -4.88850E-02       4.12591E-01
+     3                   -7.20780E-02      -1.11166E-01
+     4                    2.58254E-02       1.63394E-02
+4 0 *********** CCCS-pro-ile
+     1                   -9.79710E-01       3.99701E-02
+     2                   -4.71326E-01       2.74523E-01
+     3                    1.27845E-01      -2.67378E-01
+     4                    2.82929E-02       2.00015E-02
+4 0 *********** CCCS-pro-leu
+     1                   -6.00811E-01       3.27666E-01
+     2                   -4.91996E-01       5.51639E-01
+     3                    3.84590E-03      -1.80629E-01
+     4                   -9.86790E-03      -7.49951E-02
+4 0 *********** CCCS-pro-val
+     1                   -8.68898E-01       7.17527E-02
+     2                   -5.01002E-01       3.63549E-01
+     3                    1.32046E-01      -2.50488E-01
+     4                    2.93732E-02      -1.61536E-02
+4 0 *********** CCCS-pro-trp
+     1                   -8.96501E-01       1.29992E-01
+     2                   -1.11580E-01       2.84068E-01
+     3                   -4.59362E-02      -1.25418E-01
+     4                    4.37184E-02       1.50829E-02
+4 0 *********** CCCS-pro-tyr
+     1                   -8.61402E-01       7.45852E-02
+     2                   -3.14205E-02       3.78266E-01
+     3                   -8.06996E-02      -9.94746E-02
+     4                    4.14958E-02       1.80331E-02
+4 0 *********** CCCS-pro-ala
+     1                   -5.62598E-01       1.11374E-01
+     2                   -7.45549E-01      -1.31464E-01
+     3                    1.61317E-01      -8.42793E-02
+     4                    8.72320E-02       2.91395E-02
+4 0 *********** CCCS-pro-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** CCCS-pro-thr
+     1                   -9.07849E-01       7.76719E-02
+     2                   -4.72132E-01       8.11280E-02
+     3                    1.26137E-01      -1.61329E-01
+     4                    3.84860E-02       2.42118E-02
+4 0 *********** CCCS-pro-ser
+     1                   -1.61551E+00      -8.47812E-01
+     2                    3.57056E-02      -4.29341E-01
+     3                   -3.91253E-03       1.22740E-01
+     4                   -8.20854E-02       3.68427E-03
+4 0 *********** CCCS-pro-gln
+     1                   -9.33947E-01       6.75567E-04
+     2                   -2.41565E-01      -7.64516E-02
+     3                   -1.67072E-02      -6.96706E-02
+     4                    4.83193E-02       5.10288E-02
+4 0 *********** CCCS-pro-asn
+     1                   -1.18314E+00      -4.98674E-01
+     2                    7.15421E-02      -3.86403E-01
+     3                   -9.88056E-03       6.35419E-02
+     4                   -5.85735E-03       1.90402E-02
+4 0 *********** CCCS-pro-glu
+     1                   -1.04480E+00       5.79008E-02
+     2                   -2.91891E-01       3.08634E-02
+     3                   -5.16516E-03      -1.28810E-01
+     4                    5.90039E-02       3.42053E-02
+4 0 *********** CCCS-pro-asp
+     1                   -1.35548E+00      -6.24364E-01
+     2                    1.14171E-02      -3.92476E-01
+     3                    2.95114E-02       1.43079E-01
+     4                   -1.17147E-02      -1.66194E-02
+4 0 *********** CCCS-pro-his
+     1                   -1.20336E+00      -4.62056E-01
+     2                    1.70184E-01      -2.39155E-01
+     3                    6.15741E-02      -8.19429E-02
+     4                   -5.70485E-02       1.15489E-02
+4 0 *********** CCCS-pro-arg
+     1                   -6.89422E-01       2.07042E-01
+     2                   -1.98428E-01       3.20765E-01
+     3                   -2.68026E-02      -1.28322E-01
+     4                   -7.48013E-03       4.31463E-03
+4 0 *********** CCCS-pro-lys
+     1                   -5.65205E-01       2.73646E-01
+     2                   -3.36290E-01       3.45283E-01
+     3                    4.67419E-02      -1.36545E-01
+     4                    6.86319E-03      -1.94038E-02
+4 0 *********** CCCS-pro-pro
+     1                   -3.30913E+00      -7.17640E-01
+     2                    4.70082E-01      -4.72589E-02
+     3                   -3.03019E-01      -1.08208E-01
+     4                    1.72759E-01       1.84493E-01
+4 0 *********** SCCS-cys-cys
+     1                    8.67192E-01      -3.97420E-01
+     2                   -1.42331E-01       1.54790E-01
+     3                    1.17768E-01      -6.88353E-02
+     4                    1.16808E-02      -4.88455E-02
+4 0 *********** SCCS-cys-met
+     1                    4.26597E-01      -4.96269E-01
+     2                    1.68255E-01       2.05715E-01
+     3                    6.45820E-02      -5.78164E-02
+     4                   -3.30813E-02      -2.01771E-02
+4 0 *********** SCCS-cys-phe
+     1                    4.30309E-01      -5.81996E-01
+     2                    2.91210E-01       3.75351E-02
+     3                   -2.51574E-02      -4.52847E-02
+     4                   -4.59956E-02       2.64473E-02
+4 0 *********** SCCS-cys-ile
+     1                    5.92263E-01      -5.56017E-01
+     2                    1.96396E-01       2.73218E-01
+     3                    7.20998E-02      -8.12583E-02
+     4                   -9.05831E-03      -5.08715E-02
+4 0 *********** SCCS-cys-leu
+     1                    2.23589E-01      -5.45461E-01
+     2                    4.10204E-01       2.68121E-01
+     3                    5.34177E-02      -5.72668E-02
+     4                   -4.98470E-02       1.26762E-02
+4 0 *********** SCCS-cys-val
+     1                    4.91308E-01      -5.42737E-01
+     2                    2.59371E-01       3.06256E-01
+     3                    6.44313E-02      -7.06936E-02
+     4                   -3.66479E-02      -3.46126E-02
+4 0 *********** SCCS-cys-trp
+     1                    4.71912E-01      -6.01415E-01
+     2                    2.16418E-01       8.00790E-02
+     3                   -1.30446E-02      -5.24377E-02
+     4                   -4.99798E-02       3.07055E-03
+4 0 *********** SCCS-cys-tyr
+     1                    4.16234E-01      -5.77036E-01
+     2                    2.74265E-01       2.25244E-02
+     3                   -2.83527E-02      -4.49149E-02
+     4                   -4.88884E-02       2.31939E-02
+4 0 *********** SCCS-cys-ala
+     1                    3.34091E-01      -3.42304E-01
+     2                    8.50400E-03       5.26987E-01
+     3                    9.62156E-02       2.68970E-02
+     4                    2.14985E-02      -4.83972E-02
+4 0 *********** SCCS-cys-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-cys-thr
+     1                    5.34364E-01      -5.20718E-01
+     2                    3.54739E-02       3.67105E-01
+     3                    7.05045E-02      -2.83985E-02
+     4                    3.20212E-02      -5.62046E-02
+4 0 *********** SCCS-cys-ser
+     1                    1.08515E+00      -2.62182E-01
+     2                   -3.11425E-01       1.33473E-01
+     3                    9.24029E-02      -1.02550E-01
+     4                    1.03816E-01      -6.31816E-02
+4 0 *********** SCCS-cys-gln
+     1                    5.66258E-01      -5.39383E-01
+     2                   -2.13376E-02       2.06540E-01
+     3                   -3.79359E-02      -7.98189E-02
+     4                   -4.15080E-02      -4.31848E-02
+4 0 *********** SCCS-cys-asn
+     1                    9.22612E-01      -2.63118E-01
+     2                   -2.41432E-01       6.53561E-02
+     3                    2.40540E-02      -3.36319E-02
+     4                    2.68269E-02       9.52648E-03
+4 0 *********** SCCS-cys-glu
+     1                    5.96137E-01      -6.10543E-01
+     2                    3.53487E-02       2.27789E-01
+     3                   -1.67001E-02      -8.81237E-02
+     4                   -4.14545E-02      -3.65214E-02
+4 0 *********** SCCS-cys-asp
+     1                    1.01795E+00      -2.60910E-01
+     2                   -1.97330E-01       1.05405E-01
+     3                    4.50490E-02      -4.55831E-03
+     4                    2.89560E-02       2.39952E-02
+4 0 *********** SCCS-cys-his
+     1                    8.90355E-01      -2.91398E-01
+     2                   -1.50779E-01       3.51671E-03
+     3                    1.32057E-01      -3.87007E-02
+     4                    7.11463E-02       3.32134E-02
+4 0 *********** SCCS-cys-arg
+     1                    3.05165E-01      -5.50396E-01
+     2                    2.65996E-01       1.34162E-01
+     3                    1.63970E-02      -6.55688E-02
+     4                   -1.63990E-02      -6.42449E-03
+4 0 *********** SCCS-cys-lys
+     1                    2.10559E-01      -5.08694E-01
+     2                    2.92920E-01       2.11781E-01
+     3                    7.45051E-02      -4.33034E-02
+     4                   -2.31646E-02       5.82520E-03
+4 0 *********** SCCS-cys-pro
+     1                    1.19886E+00      -1.94173E-01
+     2                   -2.59796E-01       1.46925E-01
+     3                    2.03461E-01      -1.47537E-01
+     4                    1.86013E-01       1.95403E-02
+4 0 *********** SCCS-met-cys
+     1                    6.77842E-01      -1.22147E-01
+     2                    3.01442E-02      -8.28383E-02
+     3                    2.53218E-02      -2.89579E-02
+     4                    2.32855E-02      -1.30591E-02
+4 0 *********** SCCS-met-met
+     1                    3.93839E-01      -2.65359E-01
+     2                   -2.98951E-02      -7.82974E-04
+     3                   -6.71525E-03       2.70051E-03
+     4                   -4.19784E-03      -6.76316E-03
+4 0 *********** SCCS-met-phe
+     1                    3.47890E-01      -3.31177E-01
+     2                   -1.40210E-02       1.34047E-02
+     3                   -6.20698E-03       9.61245E-03
+     4                   -7.78514E-03       2.24073E-03
+4 0 *********** SCCS-met-ile
+     1                    5.15140E-01      -2.68442E-01
+     2                   -3.13116E-02      -3.35772E-02
+     3                   -1.11768E-02      -9.13918E-03
+     4                    6.51943E-03      -1.56479E-02
+4 0 *********** SCCS-met-leu
+     1                    2.97078E-01      -3.52096E-01
+     2                   -4.44542E-02       4.92139E-02
+     3                    1.62294E-03       8.51857E-03
+     4                   -1.90766E-02      -1.67157E-03
+4 0 *********** SCCS-met-val
+     1                    4.44647E-01      -3.10886E-01
+     2                   -5.17011E-02      -3.76384E-03
+     3                   -2.22666E-02       5.59111E-04
+     4                   -1.13944E-02      -1.24191E-02
+4 0 *********** SCCS-met-trp
+     1                    4.26445E-01      -3.01683E-01
+     2                   -1.23552E-02      -1.83657E-02
+     3                   -1.26295E-02      -8.84208E-03
+     4                   -4.38497E-03      -6.94827E-03
+4 0 *********** SCCS-met-tyr
+     1                    3.35211E-01      -3.27458E-01
+     2                   -8.79237E-03       1.12200E-02
+     3                   -5.55911E-03       9.19752E-03
+     4                   -8.69196E-03       2.27149E-03
+4 0 *********** SCCS-met-ala
+     1                    3.47583E-01      -1.40409E-01
+     2                   -7.66753E-02       2.14822E-02
+     3                   -1.83836E-03       1.15904E-02
+     4                    7.81264E-03      -1.16514E-02
+4 0 *********** SCCS-met-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-met-thr
+     1                    5.08255E-01      -2.52922E-01
+     2                   -4.50710E-02      -2.69872E-02
+     3                   -1.48451E-02      -1.40399E-02
+     4                    4.39034E-03      -1.89867E-02
+4 0 *********** SCCS-met-ser
+     1                    8.01001E-01      -4.95313E-02
+     2                    9.72315E-02      -9.47434E-02
+     3                    6.93740E-02      -4.24953E-02
+     4                    5.18705E-02      -1.18763E-02
+4 0 *********** SCCS-met-gln
+     1                    5.01149E-01      -2.69021E-01
+     2                   -2.49395E-02      -4.99726E-02
+     3                   -1.56056E-02      -2.12705E-02
+     4                   -7.22647E-03      -1.64211E-02
+4 0 *********** SCCS-met-asn
+     1                    6.73569E-01       1.52099E-02
+     2                    7.13503E-02      -6.74262E-02
+     3                    3.90477E-02      -1.39945E-02
+     4                    2.52162E-02       3.59290E-03
+4 0 *********** SCCS-met-glu
+     1                    5.25931E-01      -3.25302E-01
+     2                   -3.29368E-02      -5.37539E-02
+     3                   -1.90438E-02      -2.32002E-02
+     4                   -9.20583E-03      -1.93397E-02
+4 0 *********** SCCS-met-asp
+     1                    7.14424E-01       1.99294E-02
+     2                    9.11002E-02      -6.60162E-02
+     3                    4.52199E-02      -1.28745E-02
+     4                    3.06190E-02       5.71878E-03
+4 0 *********** SCCS-met-his
+     1                    6.48672E-01       3.96519E-02
+     2                    9.07352E-02      -5.93949E-02
+     3                    3.52519E-02       1.88478E-03
+     4                    2.44209E-02       1.78793E-02
+4 0 *********** SCCS-met-arg
+     1                    3.07539E-01      -3.33991E-01
+     2                   -2.38728E-02       1.77764E-02
+     3                   -2.32994E-03       6.48369E-03
+     4                   -6.48227E-03      -1.82843E-03
+4 0 *********** SCCS-met-lys
+     1                    2.74243E-01      -3.17318E-01
+     2                   -3.79758E-02       3.83663E-02
+     3                    3.07022E-03       1.29550E-02
+     4                   -1.17798E-02      -9.80492E-04
+4 0 *********** SCCS-met-pro
+     1                    8.53443E-01       6.32717E-04
+     2                    1.54723E-01      -9.89519E-02
+     3                    1.33621E-01      -3.85601E-02
+     4                    1.13225E-01       2.03647E-02
+4 0 *********** SCCS-phe-cys
+     1                    6.17912E-01       4.08053E-02
+     2                    8.03708E-02      -1.78292E-01
+     3                   -4.69639E-02      -4.27914E-02
+     4                   -1.76101E-02       4.81626E-02
+4 0 *********** SCCS-phe-met
+     1                    4.00919E-01      -1.33434E-01
+     2                   -8.47991E-02      -1.11941E-01
+     3                   -6.60895E-02       3.54194E-02
+     4                   -2.32957E-02      -4.88659E-03
+4 0 *********** SCCS-phe-phe
+     1                    3.70355E-01      -2.13805E-01
+     2                   -1.33203E-01      -6.44535E-02
+     3                   -2.38403E-02       5.51917E-02
+     4                   -4.77525E-02       3.66054E-02
+4 0 *********** SCCS-phe-ile
+     1                    4.83527E-01      -1.13031E-01
+     2                   -5.50937E-02      -1.64700E-01
+     3                   -1.21456E-01       4.46557E-03
+     4                   -4.47308E-03      -2.79464E-02
+4 0 *********** SCCS-phe-leu
+     1                    3.30503E-01      -2.51950E-01
+     2                   -1.85358E-01      -7.54903E-02
+     3                   -8.18024E-03       9.43208E-02
+     4                   -4.27669E-02      -1.78173E-02
+4 0 *********** SCCS-phe-val
+     1                    4.61384E-01      -1.89805E-01
+     2                   -1.19066E-01      -1.67802E-01
+     3                   -9.11416E-02       5.00339E-02
+     4                   -2.91337E-02      -4.54035E-02
+4 0 *********** SCCS-phe-trp
+     1                    4.21300E-01      -1.36878E-01
+     2                   -6.85968E-02      -7.57692E-02
+     3                   -7.08461E-02       5.92965E-02
+     4                   -2.27440E-02      -1.34410E-03
+4 0 *********** SCCS-phe-tyr
+     1                    3.56633E-01      -2.11338E-01
+     2                   -1.21404E-01      -4.96290E-02
+     3                   -2.81706E-02       4.66030E-02
+     4                   -3.18445E-02       3.78772E-02
+4 0 *********** SCCS-phe-ala
+     1                    3.36910E-01      -6.87199E-02
+     2                   -8.07815E-02      -1.92038E-01
+     3                   -1.00267E-01       3.43753E-02
+     4                    5.43754E-02      -3.09258E-02
+4 0 *********** SCCS-phe-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-phe-thr
+     1                    4.82970E-01      -9.10727E-02
+     2                   -5.58281E-02      -1.57682E-01
+     3                   -1.33460E-01      -6.99795E-03
+     4                    2.48573E-02      -7.19938E-02
+4 0 *********** SCCS-phe-ser
+     1                    7.61323E-01       9.17861E-02
+     2                    2.06520E-01      -1.99787E-01
+     3                    4.29281E-02      -8.32855E-02
+     4                    1.72165E-02       4.10619E-02
+4 0 *********** SCCS-phe-gln
+     1                    4.86846E-01      -1.05888E-01
+     2                   -3.94640E-02      -1.43621E-01
+     3                   -1.07811E-01       2.13469E-02
+     4                   -4.22265E-03      -2.88818E-02
+4 0 *********** SCCS-phe-asn
+     1                    6.17192E-01       1.32884E-01
+     2                    2.11050E-01      -1.43871E-01
+     3                   -3.77821E-02      -7.12819E-02
+     4                    2.23335E-02       5.71418E-02
+4 0 *********** SCCS-phe-glu
+     1                    5.12548E-01      -1.55228E-01
+     2                   -7.80945E-02      -1.54708E-01
+     3                   -1.17487E-01       3.69667E-02
+     4                    4.81689E-03      -2.57806E-02
+4 0 *********** SCCS-phe-asp
+     1                    6.54725E-01       1.36981E-01
+     2                    2.27435E-01      -1.56591E-01
+     3                   -1.76645E-02      -8.60832E-02
+     4                    2.41417E-02       4.79527E-02
+4 0 *********** SCCS-phe-his
+     1                    5.71382E-01       1.65067E-01
+     2                    2.21862E-01      -1.03689E-01
+     3                    7.14090E-03      -1.05914E-01
+     4                    1.86059E-02       4.81888E-02
+4 0 *********** SCCS-phe-arg
+     1                    3.46205E-01      -2.19591E-01
+     2                   -1.23250E-01      -6.09198E-02
+     3                   -3.07295E-02       6.26693E-02
+     4                   -2.18389E-02      -3.92536E-04
+4 0 *********** SCCS-phe-lys
+     1                    3.12189E-01      -2.08352E-01
+     2                   -1.38776E-01      -7.42432E-02
+     3                   -2.46965E-02       6.30946E-02
+     4                   -2.00432E-02      -2.35017E-03
+4 0 *********** SCCS-phe-pro
+     1                    5.75671E-01       1.88566E-01
+     2                    1.73271E-01      -2.03893E-01
+     3                   -4.52139E-02      -2.19582E-01
+     4                    1.30494E-01       1.14331E-01
+4 0 *********** SCCS-ile-cys
+     1                    8.12861E-01      -3.96504E-03
+     2                   -4.19983E-02      -1.84176E-01
+     3                    2.24503E-02      -1.66688E-01
+     4                    1.95631E-02      -1.59739E-02
+4 0 *********** SCCS-ile-met
+     1                    5.06126E-01      -1.90924E-01
+     2                   -1.04465E-01       5.08062E-02
+     3                   -4.34139E-02      -8.62438E-03
+     4                    2.80063E-03      -1.68203E-02
+4 0 *********** SCCS-ile-phe
+     1                    4.61933E-01      -2.73111E-01
+     2                   -4.71593E-02       1.06871E-01
+     3                   -4.16029E-02       3.21457E-02
+     4                   -2.32600E-02      -2.22548E-02
+4 0 *********** SCCS-ile-ile
+     1                    6.43631E-01      -1.58904E-01
+     2                   -1.37423E-01      -2.45357E-02
+     3                   -4.92316E-02      -4.74913E-02
+     4                    8.06138E-03      -1.35900E-02
+4 0 *********** SCCS-ile-leu
+     1                    4.08520E-01      -3.13005E-01
+     2                   -1.27566E-01       1.49512E-01
+     3                   -6.34900E-02       3.46685E-02
+     4                   -9.06413E-03      -3.52161E-02
+4 0 *********** SCCS-ile-val
+     1                    5.49852E-01      -2.38227E-01
+     2                   -1.86617E-01       6.55581E-02
+     3                   -8.85027E-02      -2.08951E-03
+     4                    2.05440E-02      -1.84654E-02
+4 0 *********** SCCS-ile-trp
+     1                    5.56619E-01      -2.29250E-01
+     2                   -7.23091E-02       2.04708E-02
+     3                   -5.42306E-02      -1.94723E-02
+     4                   -1.19046E-02      -1.59240E-02
+4 0 *********** SCCS-ile-tyr
+     1                    4.49078E-01      -2.74446E-01
+     2                   -2.55459E-02       9.15112E-02
+     3                   -2.72392E-02       2.83834E-02
+     4                   -1.70035E-02      -1.89771E-02
+4 0 *********** SCCS-ile-ala
+     1                    4.03565E-01      -9.73049E-02
+     2                   -1.65085E-01       5.69215E-02
+     3                   -2.98332E-02      -3.68601E-02
+     4                    5.11142E-02      -3.60853E-03
+4 0 *********** SCCS-ile-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-ile-thr
+     1                    6.20201E-01      -1.51004E-01
+     2                   -1.87224E-01      -2.62016E-02
+     3                   -6.88780E-02      -4.57481E-02
+     4                    2.01786E-02      -1.07393E-02
+4 0 *********** SCCS-ile-ser
+     1                    9.86260E-01       6.17463E-02
+     2                    6.62327E-02      -2.73558E-01
+     3                    1.10960E-01      -2.60774E-01
+     4                    3.83570E-02      -4.73275E-02
+4 0 *********** SCCS-ile-gln
+     1                    6.33544E-01      -1.88461E-01
+     2                   -1.11157E-01      -5.46044E-02
+     3                   -6.63764E-02      -7.88378E-02
+     4                   -2.90177E-04      -3.37399E-02
+4 0 *********** SCCS-ile-asn
+     1                    8.25454E-01       1.18023E-01
+     2                    9.19552E-02      -1.26947E-01
+     3                    1.45967E-01      -1.11375E-01
+     4                    2.12906E-02      -9.23171E-03
+4 0 *********** SCCS-ile-glu
+     1                    6.72081E-01      -2.47902E-01
+     2                   -1.35462E-01      -4.61728E-02
+     3                   -1.02405E-01      -6.77087E-02
+     4                   -6.17406E-03      -2.95507E-02
+4 0 *********** SCCS-ile-asp
+     1                    8.82886E-01       1.31154E-01
+     2                    1.26880E-01      -1.35348E-01
+     3                    1.68125E-01      -9.99270E-02
+     4                    2.84089E-02      -1.18548E-02
+4 0 *********** SCCS-ile-his
+     1                    7.94558E-01       1.75521E-01
+     2                    1.38135E-01      -1.15967E-01
+     3                    1.67239E-01      -3.45828E-03
+     4                    2.51629E-02       1.09876E-02
+4 0 *********** SCCS-ile-arg
+     1                    4.15725E-01      -3.00712E-01
+     2                   -6.50785E-02       9.28036E-02
+     3                   -3.20538E-02       2.66472E-02
+     4                   -8.49279E-03      -1.49651E-02
+4 0 *********** SCCS-ile-lys
+     1                    3.86892E-01      -2.73636E-01
+     2                   -1.12672E-01       1.29364E-01
+     3                   -3.92998E-02       3.02353E-02
+     4                    1.05440E-03      -2.13757E-02
+4 0 *********** SCCS-ile-pro
+     1                    1.10677E+00       1.63062E-01
+     2                    1.50623E-01      -4.22318E-01
+     3                    2.98202E-01      -2.99543E-01
+     4                    1.21923E-01      -2.54283E-02
+4 0 *********** SCCS-leu-cys
+     1                    5.94172E-01       1.73408E-01
+     2                   -4.73314E-02      -4.02620E-01
+     3                    9.12043E-02       2.01775E-02
+     4                   -1.81725E-02       4.15779E-02
+4 0 *********** SCCS-leu-met
+     1                    4.50214E-01      -4.84057E-02
+     2                   -3.11550E-01      -6.43377E-02
+     3                   -1.88595E-02       2.46353E-03
+     4                    3.13201E-02       1.89536E-02
+4 0 *********** SCCS-leu-phe
+     1                    4.47533E-01      -7.27249E-02
+     2                   -3.24192E-01       1.23022E-01
+     3                   -1.38368E-02      -1.16926E-02
+     4                    3.17776E-02      -2.62258E-02
+4 0 *********** SCCS-leu-ile
+     1                    5.38275E-01      -3.28620E-02
+     2                   -3.61398E-01      -1.84453E-01
+     3                   -1.26381E-03      -4.46188E-03
+     4                    3.51930E-02       2.87682E-02
+4 0 *********** SCCS-leu-leu
+     1                    3.93440E-01      -1.90873E-01
+     2                   -5.15508E-01       1.28112E-01
+     3                   -3.48570E-02      -1.12793E-02
+     4                    5.06812E-02      -1.16744E-02
+4 0 *********** SCCS-leu-val
+     1                    4.86868E-01      -7.00880E-02
+     2                   -4.72459E-01      -1.31204E-01
+     3                   -3.24814E-02      -2.39810E-02
+     4                    5.04527E-02       3.87129E-02
+4 0 *********** SCCS-leu-trp
+     1                    4.99228E-01      -6.01644E-02
+     2                   -2.56724E-01      -1.84632E-02
+     3                    3.00625E-03      -6.97844E-03
+     4                    3.48385E-02       4.33609E-04
+4 0 *********** SCCS-leu-tyr
+     1                    4.44213E-01      -7.33654E-02
+     2                   -2.88693E-01       1.26663E-01
+     3                   -1.36961E-02      -8.27957E-03
+     4                    2.22349E-02      -1.54084E-02
+4 0 *********** SCCS-leu-ala
+     1                    3.52407E-01       9.90197E-03
+     2                   -4.25254E-01      -2.87061E-01
+     3                   -9.77948E-03       1.04495E-02
+     4                    1.24345E-02       6.57671E-02
+4 0 *********** SCCS-leu-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-leu-thr
+     1                    5.30410E-01      -3.02183E-02
+     2                   -3.40930E-01      -2.50663E-01
+     3                   -1.72778E-02      -3.12795E-02
+     4                    6.50734E-03       4.50499E-02
+4 0 *********** SCCS-leu-ser
+     1                    6.43329E-01       2.88516E-01
+     2                    1.45392E-01      -5.44840E-01
+     3                    1.89139E-01       4.54212E-02
+     4                    5.20574E-03       6.18441E-03
+4 0 *********** SCCS-leu-gln
+     1                    5.38355E-01      -9.84240E-03
+     2                   -2.31182E-01      -2.17751E-01
+     3                    4.74929E-02      -4.53414E-02
+     4                    2.17601E-03       3.35150E-02
+4 0 *********** SCCS-leu-asn
+     1                    5.90026E-01       2.87928E-01
+     2                    1.94468E-01      -4.17227E-01
+     3                    1.25681E-01       4.82303E-02
+     4                   -6.52887E-05       2.85218E-02
+4 0 *********** SCCS-leu-glu
+     1                    5.67262E-01      -4.93095E-02
+     2                   -3.05894E-01      -1.96980E-01
+     3                    3.23051E-02      -6.29242E-02
+     4                    1.22491E-02       2.40107E-02
+4 0 *********** SCCS-leu-asp
+     1                    6.22202E-01       3.02516E-01
+     2                    2.07573E-01      -4.31691E-01
+     3                    1.27351E-01       4.61920E-02
+     4                   -8.60483E-04       2.43449E-02
+4 0 *********** SCCS-leu-his
+     1                    5.86765E-01       2.88627E-01
+     2                    2.35091E-01      -3.01746E-01
+     3                    3.08047E-02       9.85179E-02
+     4                    1.02471E-02       7.74650E-03
+4 0 *********** SCCS-leu-arg
+     1                    4.15115E-01      -1.37915E-01
+     2                   -3.18066E-01       8.40315E-02
+     3                   -2.25748E-02       1.54698E-02
+     4                    2.14297E-02      -9.37111E-03
+4 0 *********** SCCS-leu-lys
+     1                    3.77420E-01      -1.69429E-01
+     2                   -3.94650E-01       8.02192E-02
+     3                   -4.51308E-02       8.84393E-03
+     4                    2.97845E-02       2.48893E-03
+4 0 *********** SCCS-leu-pro
+     1                    7.16084E-01       2.99786E-01
+     2                    1.86283E-01      -6.03837E-01
+     3                    2.55575E-01       7.04726E-02
+     4                    1.91405E-02      -4.06397E-03
+4 0 *********** SCCS-val-cys
+     1                    7.86466E-01      -4.29816E-03
+     2                   -4.32969E-03      -2.08880E-01
+     3                    8.92767E-02      -7.77737E-02
+     4                    1.70589E-02       2.40084E-03
+4 0 *********** SCCS-val-met
+     1                    4.82523E-01      -1.71997E-01
+     2                   -1.79550E-01       4.18869E-03
+     3                   -4.20704E-02       1.06050E-02
+     4                    5.12664E-03      -9.63187E-03
+4 0 *********** SCCS-val-phe
+     1                    4.51288E-01      -2.28428E-01
+     2                   -1.51994E-01       1.02467E-01
+     3                   -5.40453E-02      -6.33436E-04
+     4                   -1.17698E-02      -6.75950E-03
+4 0 *********** SCCS-val-ile
+     1                    5.99794E-01      -1.49710E-01
+     2                   -2.21716E-01      -1.00818E-01
+     3                   -7.56670E-02      -4.49988E-02
+     4                    2.23437E-02       1.38860E-04
+4 0 *********** SCCS-val-leu
+     1                    4.14638E-01      -2.61707E-01
+     2                   -2.82127E-01       1.46116E-01
+     3                   -5.38285E-02       4.44781E-02
+     4                    9.79193E-03      -6.08394E-02
+4 0 *********** SCCS-val-val
+     1                    5.31517E-01      -2.21076E-01
+     2                   -2.82958E-01      -2.56610E-02
+     3                   -7.96155E-02       2.15670E-03
+     4                    1.47594E-02      -2.10170E-02
+4 0 *********** SCCS-val-trp
+     1                    5.21376E-01      -1.78759E-01
+     2                   -1.31968E-01       1.73530E-04
+     3                   -5.86612E-02      -8.79356E-03
+     4                   -4.52690E-03      -1.10914E-02
+4 0 *********** SCCS-val-tyr
+     1                    4.36795E-01      -2.36531E-01
+     2                   -1.37645E-01       1.01878E-01
+     3                   -5.17500E-02      -1.33638E-03
+     4                   -1.13990E-02      -8.80492E-03
+4 0 *********** SCCS-val-ala
+     1                    4.02626E-01       1.40449E-02
+     2                   -2.57620E-01      -1.04836E-01
+     3                   -1.72425E-02      -4.38215E-03
+     4                    6.62607E-02       1.47455E-02
+4 0 *********** SCCS-val-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-val-thr
+     1                    5.86762E-01      -1.46511E-01
+     2                   -2.13679E-01      -1.03577E-01
+     3                   -7.94667E-02      -4.83725E-02
+     4                    2.09928E-02      -4.62998E-03
+4 0 *********** SCCS-val-ser
+     1                    1.04735E+00       4.99137E-02
+     2                    2.14269E-01      -3.39805E-01
+     3                    2.44740E-01      -8.40160E-02
+     4                    5.29428E-02      -4.33972E-02
+4 0 *********** SCCS-val-gln
+     1                    6.13296E-01      -1.73183E-01
+     2                   -1.26476E-01      -1.28614E-01
+     3                   -3.71179E-02      -7.86053E-02
+     4                    1.04799E-02      -2.01331E-02
+4 0 *********** SCCS-val-asn
+     1                    8.04143E-01       1.57745E-01
+     2                    1.82443E-01      -2.61981E-01
+     3                    9.86430E-02      -3.13450E-02
+     4                    4.11567E-02       1.32916E-02
+4 0 *********** SCCS-val-glu
+     1                    6.46327E-01      -2.34941E-01
+     2                   -1.66375E-01      -1.21363E-01
+     3                   -6.35693E-02      -8.08871E-02
+     4                    9.52973E-03      -2.25330E-02
+4 0 *********** SCCS-val-asp
+     1                    8.60112E-01       1.77381E-01
+     2                    2.19171E-01      -2.83089E-01
+     3                    1.35769E-01      -5.49904E-02
+     4                    3.53350E-02       1.97050E-03
+4 0 *********** SCCS-val-his
+     1                    7.50465E-01       2.17826E-01
+     2                    2.31690E-01      -2.13623E-01
+     3                    1.08163E-01       4.23888E-03
+     4                    1.00893E-02       4.01857E-02
+4 0 *********** SCCS-val-arg
+     1                    4.10847E-01      -2.63199E-01
+     2                   -1.51817E-01       6.81096E-02
+     3                   -3.92104E-02       2.09606E-02
+     4                    1.06147E-02      -1.12527E-02
+4 0 *********** SCCS-val-lys
+     1                    3.76811E-01      -2.56016E-01
+     2                   -2.25150E-01       1.08778E-01
+     3                   -4.37858E-02       5.46755E-02
+     4                    8.88439E-03      -2.55896E-02
+4 0 *********** SCCS-val-pro
+     1                    1.03436E+00       1.00714E-01
+     2                    1.86406E-01      -4.96539E-01
+     3                    2.62543E-01      -3.07019E-01
+     4                    8.02174E-02      -9.14531E-02
+4 0 *********** SCCS-trp-cys
+     1                    4.85138E-01      -1.82979E-01
+     2                    1.96020E-01       6.48263E-02
+     3                   -2.52414E-02      -8.54147E-02
+     4                    7.93224E-03       1.31628E-02
+4 0 *********** SCCS-trp-met
+     1                    2.48041E-01      -2.84325E-01
+     2                    1.30070E-01      -1.01583E-01
+     3                   -3.33324E-02      -1.77276E-02
+     4                   -3.97627E-03      -6.68479E-03
+4 0 *********** SCCS-trp-phe
+     1                    2.19398E-01      -3.43636E-01
+     2                    7.09310E-02      -1.59341E-01
+     3                   -3.49108E-02       1.35400E-02
+     4                   -1.17105E-02       2.68615E-03
+4 0 *********** SCCS-trp-ile
+     1                    3.39621E-01      -3.07163E-01
+     2                    1.91920E-01      -1.12493E-01
+     3                   -3.90083E-02      -2.87568E-02
+     4                    5.73771E-04      -1.45520E-02
+4 0 *********** SCCS-trp-leu
+     1                    1.92352E-01      -3.39104E-01
+     2                    1.12441E-01      -1.87719E-01
+     3                   -2.48803E-02       5.17637E-03
+     4                   -2.43256E-02      -1.13261E-02
+4 0 *********** SCCS-trp-val
+     1                    3.04400E-01      -3.17984E-01
+     2                    1.79017E-01      -1.32345E-01
+     3                   -3.70638E-02      -1.81856E-02
+     4                    3.47239E-03      -1.33026E-02
+4 0 *********** SCCS-trp-trp
+     1                    2.43296E-01      -3.18081E-01
+     2                    1.06406E-01      -1.38401E-01
+     3                   -3.34627E-02      -1.13739E-03
+     4                   -4.60639E-03       2.78278E-03
+4 0 *********** SCCS-trp-tyr
+     1                    2.07853E-01      -3.39702E-01
+     2                    6.52886E-02      -1.46562E-01
+     3                   -2.61363E-02       1.94548E-02
+     4                   -1.14587E-02       1.22331E-03
+4 0 *********** SCCS-trp-ala
+     1                    2.88980E-01      -1.77235E-01
+     2                    2.16084E-01      -1.60516E-02
+     3                    4.02341E-04      -4.80763E-02
+     4                    1.04394E-02      -4.60249E-02
+4 0 *********** SCCS-trp-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-trp-thr
+     1                    3.33794E-01      -2.86700E-01
+     2                    2.17694E-01      -9.80045E-02
+     3                   -2.38907E-02      -2.66965E-02
+     4                    8.30399E-03      -1.35058E-02
+4 0 *********** SCCS-trp-ser
+     1                    6.00894E-01      -1.14686E-01
+     2                    2.16336E-01       1.32206E-01
+     3                   -9.68653E-03      -9.15954E-02
+     4                    9.12456E-03       1.96290E-02
+4 0 *********** SCCS-trp-gln
+     1                    3.15699E-01      -2.87964E-01
+     2                    1.65908E-01      -6.56960E-02
+     3                   -3.91986E-02       9.97324E-04
+     4                   -1.62928E-03      -8.66838E-03
+4 0 *********** SCCS-trp-asn
+     1                    5.22114E-01      -6.16801E-02
+     2                    1.43744E-01       1.28932E-01
+     3                    3.34487E-02      -3.92939E-02
+     4                    7.68923E-03       1.87095E-02
+4 0 *********** SCCS-trp-glu
+     1                    3.28314E-01      -3.32187E-01
+     2                    1.84183E-01      -1.06422E-01
+     3                   -4.84187E-02       2.23351E-03
+     4                   -4.18345E-03      -1.77328E-02
+4 0 *********** SCCS-trp-asp
+     1                    5.60666E-01      -5.93245E-02
+     2                    1.69393E-01       1.37331E-01
+     3                    4.09960E-02      -3.79390E-02
+     4                    1.43053E-02       1.99879E-02
+4 0 *********** SCCS-trp-his
+     1                    4.84972E-01      -5.97378E-02
+     2                    1.22201E-01       1.14444E-01
+     3                    3.44912E-02      -5.65853E-02
+     4                    1.06022E-02       1.47781E-03
+4 0 *********** SCCS-trp-arg
+     1                    1.76449E-01      -3.23649E-01
+     2                    7.61235E-02      -1.50410E-01
+     3                   -3.06091E-02       2.92860E-03
+     4                   -1.56412E-02      -3.18537E-03
+4 0 *********** SCCS-trp-lys
+     1                    1.56107E-01      -2.99490E-01
+     2                    9.54620E-02      -1.43133E-01
+     3                   -1.39722E-02      -2.58350E-03
+     4                   -1.16648E-02      -9.91106E-03
+4 0 *********** SCCS-trp-pro
+     1                    5.68316E-01      -1.01008E-01
+     2                    2.97583E-01       1.87430E-01
+     3                   -1.19631E-02      -6.91847E-02
+     4                    1.36279E-02       3.97384E-03
+4 0 *********** SCCS-tyr-cys
+     1                    5.55259E-01       2.14259E-02
+     2                    1.98180E-01      -1.44708E-01
+     3                   -1.37493E-01      -6.34694E-02
+     4                    3.34960E-02       1.80364E-02
+4 0 *********** SCCS-tyr-met
+     1                    3.66448E-01      -1.23226E-01
+     2                   -2.16214E-02      -1.63415E-01
+     3                   -7.70080E-02       2.82162E-02
+     4                   -2.89652E-02      -3.48982E-03
+4 0 *********** SCCS-tyr-phe
+     1                    3.32943E-01      -1.85915E-01
+     2                   -9.74173E-02      -1.42315E-01
+     3                   -4.09691E-02       1.02017E-01
+     4                   -4.72429E-02       3.46750E-02
+4 0 *********** SCCS-tyr-ile
+     1                    4.47979E-01      -1.18184E-01
+     2                    5.22640E-03      -2.12939E-01
+     3                   -1.25254E-01       1.77613E-02
+     4                   -1.89103E-02      -1.71523E-02
+4 0 *********** SCCS-tyr-leu
+     1                    3.19351E-01      -2.36058E-01
+     2                   -1.48965E-01      -1.87933E-01
+     3                   -4.73722E-02       9.45693E-02
+     4                   -6.97518E-02      -3.99825E-03
+4 0 *********** SCCS-tyr-val
+     1                    4.20060E-01      -1.66880E-01
+     2                   -3.05941E-02      -2.26764E-01
+     3                   -1.12217E-01       4.12918E-02
+     4                   -3.14988E-02      -3.87474E-02
+4 0 *********** SCCS-tyr-trp
+     1                    3.76306E-01      -1.38972E-01
+     2                   -4.73139E-02      -1.34862E-01
+     3                   -6.65524E-02       6.30932E-02
+     4                   -2.29209E-02       1.68061E-02
+4 0 *********** SCCS-tyr-tyr
+     1                    3.23069E-01      -1.81659E-01
+     2                   -9.14465E-02      -1.31407E-01
+     3                   -2.79885E-02       1.00003E-01
+     4                   -4.99827E-02       3.17112E-02
+4 0 *********** SCCS-tyr-ala
+     1                    3.31711E-01      -5.51802E-02
+     2                    4.32172E-02      -2.29156E-01
+     3                   -1.08502E-01      -7.32833E-02
+     4                    1.58578E-02      -6.28907E-02
+4 0 *********** SCCS-tyr-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-tyr-thr
+     1                    4.43129E-01      -9.98765E-02
+     2                    2.04282E-02      -2.00306E-01
+     3                   -1.05974E-01       1.38295E-02
+     4                   -3.15679E-02      -3.11278E-02
+4 0 *********** SCCS-tyr-ser
+     1                    6.66665E-01       9.58879E-02
+     2                    3.34355E-01      -9.54379E-02
+     3                   -6.17057E-02      -1.52488E-01
+     4                    7.72154E-02       8.43553E-02
+4 0 *********** SCCS-tyr-gln
+     1                    4.37842E-01      -9.39496E-02
+     2                    4.04782E-02      -1.67628E-01
+     3                   -8.25634E-02       4.71052E-02
+     4                   -3.65037E-02      -1.97291E-02
+4 0 *********** SCCS-tyr-asn
+     1                    5.40093E-01       1.60657E-01
+     2                    2.63253E-01      -4.26824E-02
+     3                    2.73246E-02      -1.10022E-01
+     4                   -2.02731E-03       1.83667E-02
+4 0 *********** SCCS-tyr-glu
+     1                    4.65578E-01      -1.46079E-01
+     2                    7.61706E-03      -1.97810E-01
+     3                   -8.75500E-02       7.24762E-02
+     4                   -3.60083E-02      -1.46126E-02
+4 0 *********** SCCS-tyr-asp
+     1                    5.67738E-01       1.62877E-01
+     2                    2.87863E-01      -4.37540E-02
+     3                    3.52221E-02      -1.23523E-01
+     4                    2.01681E-02       2.44886E-02
+4 0 *********** SCCS-tyr-his
+     1                    4.92109E-01       1.70168E-01
+     2                    2.45441E-01      -1.63849E-02
+     3                    4.64559E-02      -1.29182E-01
+     4                    3.45022E-03       3.48007E-02
+4 0 *********** SCCS-tyr-arg
+     1                    3.14126E-01      -1.95475E-01
+     2                   -9.23748E-02      -1.38555E-01
+     3                   -4.03817E-02       6.17459E-02
+     4                   -3.32932E-02       9.17303E-03
+4 0 *********** SCCS-tyr-lys
+     1                    2.93079E-01      -1.90224E-01
+     2                   -1.01976E-01      -1.53648E-01
+     3                   -2.88171E-02       5.03449E-02
+     4                   -3.86407E-02      -5.83875E-03
+4 0 *********** SCCS-tyr-pro
+     1                    4.64556E-01       1.05697E-01
+     2                    3.36517E-01      -1.50630E-01
+     3                   -1.30342E-01      -1.88491E-01
+     4                    1.93320E-01       1.93493E-02
+4 0 *********** SCCS-ala-cys
+     1                    5.17504E-01      -1.15621E-01
+     2                   -2.78017E-01      -2.46450E-01
+     3                    1.43228E-01      -1.13635E-01
+     4                    1.81971E-02      -2.19186E-02
+4 0 *********** SCCS-ala-met
+     1                    3.06790E-01      -2.72879E-01
+     2                   -2.12822E-01       1.36660E-01
+     3                   -1.64592E-02      -3.59792E-02
+     4                    1.19042E-02      -4.00863E-02
+4 0 *********** SCCS-ala-phe
+     1                    2.93504E-01      -2.78677E-01
+     2                   -1.14338E-01       2.49323E-01
+     3                   -9.15688E-02      -4.35241E-02
+     4                   -2.99342E-02      -2.97687E-02
+4 0 *********** SCCS-ala-ile
+     1                    3.81000E-01      -3.38357E-01
+     2                   -2.69790E-01       1.13978E-01
+     3                    2.20053E-02      -1.06324E-01
+     4                    1.26719E-02      -2.72123E-02
+4 0 *********** SCCS-ala-leu
+     1                    1.87817E-01      -3.83373E-01
+     2                   -2.22169E-01       3.72273E-01
+     3                   -8.10128E-02      -3.27082E-02
+     4                   -6.54640E-04      -6.42731E-02
+4 0 *********** SCCS-ala-val
+     1                    3.29822E-01      -3.04273E-01
+     2                   -3.06624E-01       1.83651E-01
+     3                   -4.32460E-02      -7.25547E-02
+     4                    1.49068E-02      -4.24229E-02
+4 0 *********** SCCS-ala-trp
+     1                    3.24766E-01      -3.31163E-01
+     2                   -1.12692E-01       1.42964E-01
+     3                   -4.08045E-02      -7.47186E-02
+     4                   -2.22856E-02      -3.33097E-02
+4 0 *********** SCCS-ala-tyr
+     1                    2.94138E-01      -2.67378E-01
+     2                   -1.02416E-01       2.54456E-01
+     3                   -7.49459E-02      -2.60298E-02
+     4                   -2.32349E-02      -2.79041E-02
+4 0 *********** SCCS-ala-ala
+     1                    2.78430E-01      -2.18986E-01
+     2                   -4.25143E-01       6.83946E-02
+     3                    8.41961E-02      -3.15499E-02
+     4                    9.37586E-02       5.84512E-03
+4 0 *********** SCCS-ala-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-ala-thr
+     1                    3.77641E-01      -3.13359E-01
+     2                   -2.80922E-01       8.72298E-02
+     3                    1.50802E-02      -9.86901E-02
+     4                    2.88410E-02      -1.46565E-02
+4 0 *********** SCCS-ala-ser
+     1                    5.72896E-01       3.51691E-02
+     2                   -2.61807E-01      -5.26417E-01
+     3                    2.19606E-01      -1.44148E-01
+     4                    1.22317E-02      -1.52747E-02
+4 0 *********** SCCS-ala-gln
+     1                    4.05550E-01      -2.85079E-01
+     2                   -2.55923E-01       7.39632E-03
+     3                   -2.48059E-02      -1.37493E-01
+     4                    9.74316E-03      -2.67603E-02
+4 0 *********** SCCS-ala-asn
+     1                    6.23989E-01      -4.68698E-02
+     2                   -6.72975E-02      -4.10474E-01
+     3                    1.87023E-01      -2.95986E-02
+     4                    1.45295E-02      -1.66240E-02
+4 0 *********** SCCS-ala-glu
+     1                    3.99331E-01      -3.34843E-01
+     2                   -2.83988E-01       6.59348E-02
+     3                   -4.72190E-02      -1.51632E-01
+     4                   -3.86735E-03      -2.22313E-02
+4 0 *********** SCCS-ala-asp
+     1                    6.61667E-01      -5.40240E-02
+     2                   -7.71390E-02      -4.21717E-01
+     3                    1.95768E-01      -2.74466E-02
+     4                    1.34416E-02       3.71095E-03
+4 0 *********** SCCS-ala-his
+     1                    6.48420E-01      -4.93751E-02
+     2                    2.18602E-02      -3.27254E-01
+     3                    2.02531E-01       9.70109E-02
+     4                    4.05286E-03       2.16230E-02
+4 0 *********** SCCS-ala-arg
+     1                    2.38360E-01      -3.17928E-01
+     2                   -1.17734E-01       2.35691E-01
+     3                   -3.31488E-02      -2.26556E-02
+     4                   -9.22722E-03      -1.22751E-02
+4 0 *********** SCCS-ala-lys
+     1                    1.90188E-01      -3.46793E-01
+     2                   -1.72410E-01       2.76499E-01
+     3                   -3.79097E-02       1.47776E-02
+     4                    3.59765E-03      -3.93860E-02
+4 0 *********** SCCS-ala-pro
+     1                    7.05480E-01      -1.44827E-01
+     2                   -1.13182E-01      -2.87785E-01
+     3                    4.06266E-01      -2.54091E-01
+     4                    4.58362E-02      -2.52399E-02
+4 0 *********** SCCS-gly-cys
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-met
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-phe
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-ile
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-leu
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-val
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-trp
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-tyr
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-ala
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-thr
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-ser
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-gln
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-asn
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-glu
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-asp
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-his
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-arg
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-lys
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gly-pro
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-thr-cys
+     1                    6.94146E-01      -1.10554E-01
+     2                   -3.15401E-01      -2.43730E-01
+     3                    8.32213E-02      -7.15149E-02
+     4                    5.66906E-02       8.41925E-03
+4 0 *********** SCCS-thr-met
+     1                    4.32580E-01      -2.39169E-01
+     2                   -2.56341E-01       1.56166E-01
+     3                   -5.16709E-03       4.76564E-02
+     4                    1.03130E-02      -4.42845E-02
+4 0 *********** SCCS-thr-phe
+     1                    4.15597E-01      -2.72196E-01
+     2                   -1.51395E-01       2.99282E-01
+     3                   -4.50011E-02       3.19434E-02
+     4                   -3.07748E-02      -1.79729E-02
+4 0 *********** SCCS-thr-ile
+     1                    5.39174E-01      -2.24077E-01
+     2                   -3.27413E-01       7.71185E-02
+     3                   -4.86396E-02       2.77815E-02
+     4                    4.52735E-02      -5.11917E-02
+4 0 *********** SCCS-thr-leu
+     1                    3.27056E-01      -3.30255E-01
+     2                   -2.49986E-01       4.43994E-01
+     3                   -6.32695E-03       5.11674E-02
+     4                   -6.20378E-02      -8.73174E-02
+4 0 *********** SCCS-thr-val
+     1                    4.58099E-01      -3.02824E-01
+     2                   -4.19837E-01       2.14224E-01
+     3                   -3.97065E-02       2.92216E-02
+     4                   -7.84974E-03      -8.54191E-02
+4 0 *********** SCCS-thr-trp
+     1                    4.78223E-01      -2.54797E-01
+     2                   -1.58174E-01       1.26678E-01
+     3                   -1.92522E-02       2.16408E-02
+     4                   -8.29943E-03      -3.27046E-02
+4 0 *********** SCCS-thr-tyr
+     1                    4.16175E-01      -2.63677E-01
+     2                   -1.04597E-01       2.78809E-01
+     3                   -4.67057E-02       2.51712E-02
+     4                   -2.98319E-02      -1.77672E-02
+4 0 *********** SCCS-thr-ala
+     1                    3.50298E-01      -1.15334E-01
+     2                   -5.12625E-01       1.63761E-01
+     3                    1.85377E-02       4.73053E-02
+     4                    1.02115E-01      -8.55357E-02
+4 0 *********** SCCS-thr-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-thr-thr
+     1                    5.32639E-01      -2.51788E-01
+     2                   -3.65678E-01       2.80268E-02
+     3                   -8.20267E-02       3.41941E-02
+     4                    3.20060E-02      -3.66002E-02
+4 0 *********** SCCS-thr-ser
+     1                    8.29226E-01      -4.47256E-02
+     2                   -3.07794E-01      -5.43561E-01
+     3                    1.52434E-01      -1.70668E-01
+     4                    4.02455E-02       2.94916E-02
+4 0 *********** SCCS-thr-gln
+     1                    5.44618E-01      -2.61200E-01
+     2                   -2.91685E-01      -8.52894E-04
+     3                   -6.22562E-02      -3.13102E-02
+     4                    7.05645E-03      -3.96955E-02
+4 0 *********** SCCS-thr-asn
+     1                    7.29074E-01       1.96296E-02
+     2                   -1.83089E-01      -4.48830E-01
+     3                    8.45099E-02      -7.55621E-02
+     4                    1.42241E-02       2.85328E-02
+4 0 *********** SCCS-thr-glu
+     1                    5.55177E-01      -3.20515E-01
+     2                   -3.35056E-01       6.64964E-02
+     3                   -8.15214E-02      -1.60734E-02
+     4                   -5.10384E-03      -6.58212E-02
+4 0 *********** SCCS-thr-asp
+     1                    7.77903E-01       1.48359E-02
+     2                   -1.81561E-01      -4.55763E-01
+     3                    8.06929E-02      -8.81991E-02
+     4                    2.74675E-02       2.53221E-02
+4 0 *********** SCCS-thr-his
+     1                    7.18127E-01       5.33399E-02
+     2                   -5.18661E-02      -3.85563E-01
+     3                    1.00852E-01      -1.09336E-03
+     4                    9.59055E-03       3.86896E-02
+4 0 *********** SCCS-thr-arg
+     1                    3.55433E-01      -3.15600E-01
+     2                   -1.53066E-01       2.59433E-01
+     3                    1.89246E-03       4.45031E-02
+     4                   -2.07639E-02      -2.58293E-02
+4 0 *********** SCCS-thr-lys
+     1                    3.15369E-01      -3.08440E-01
+     2                   -2.15935E-01       3.06506E-01
+     3                    9.15967E-03       7.76526E-02
+     4                   -2.41978E-02      -4.64169E-02
+4 0 *********** SCCS-thr-pro
+     1                    8.64041E-01      -3.46195E-02
+     2                   -2.43266E-01      -5.75809E-01
+     3                    9.44992E-02      -3.26994E-01
+     4                    4.31977E-02      -2.28477E-02
+4 0 *********** SCCS-ser-cys
+     1                    1.12657E+00      -4.05912E-01
+     2                   -2.04372E-01       2.21214E-01
+     3                    1.94762E-01      -2.38945E-02
+     4                    2.72424E-02      -1.36295E-01
+4 0 *********** SCCS-ser-met
+     1                    5.52897E-01      -5.23767E-01
+     2                    1.93424E-01       3.78624E-01
+     3                    1.58880E-01      -8.44168E-02
+     4                   -2.30319E-02      -3.90520E-02
+4 0 *********** SCCS-ser-phe
+     1                    6.07247E-01      -6.37768E-01
+     2                    4.84383E-01       1.21296E-01
+     3                   -5.03608E-04      -1.46678E-01
+     4                   -7.88804E-02      -4.13110E-03
+4 0 *********** SCCS-ser-ile
+     1                    8.28835E-01      -6.04995E-01
+     2                    3.10932E-01       5.50024E-01
+     3                    2.93309E-01      -1.09850E-01
+     4                    1.53895E-02      -2.36185E-02
+4 0 *********** SCCS-ser-leu
+     1                    2.18535E-01      -6.37048E-01
+     2                    6.23176E-01       5.76774E-01
+     3                    1.30993E-01      -1.16495E-01
+     4                   -1.08630E-02       6.41354E-02
+4 0 *********** SCCS-ser-val
+     1                    6.94161E-01      -5.64087E-01
+     2                    3.62179E-01       6.66479E-01
+     3                    2.67300E-01      -1.35004E-01
+     4                   -1.23872E-03       2.69694E-02
+4 0 *********** SCCS-ser-trp
+     1                    6.83990E-01      -6.22528E-01
+     2                    2.18412E-01       2.10656E-01
+     3                    4.96465E-02      -1.90013E-01
+     4                   -5.13491E-02      -1.09238E-02
+4 0 *********** SCCS-ser-tyr
+     1                    5.94121E-01      -6.45033E-01
+     2                    4.43614E-01       6.71824E-02
+     3                   -5.00495E-03      -1.30727E-01
+     4                   -7.13470E-02      -2.88808E-03
+4 0 *********** SCCS-ser-ala
+     1                    2.91750E-01      -4.88415E-01
+     2                   -9.19135E-02       8.74485E-01
+     3                    2.11077E-01       3.74125E-02
+     4                   -4.78129E-02      -3.48121E-02
+4 0 *********** SCCS-ser-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-ser-thr
+     1                    5.97190E-01      -6.25224E-01
+     2                   -1.05158E-01       6.42155E-01
+     3                    2.04056E-01      -1.68946E-02
+     4                    3.56706E-02      -1.42799E-02
+4 0 *********** SCCS-ser-ser
+     1                    1.52873E+00      -3.54863E-01
+     2                   -5.14291E-01       1.50261E-01
+     3                    7.43751E-02      -8.86048E-04
+     4                    1.34172E-01      -8.00352E-02
+4 0 *********** SCCS-ser-gln
+     1                    6.96482E-01      -6.02667E-01
+     2                   -8.72616E-02       2.77530E-01
+     3                    4.07313E-02      -1.34747E-01
+     4                   -4.71931E-02      -9.46027E-02
+4 0 *********** SCCS-ser-asn
+     1                    1.11561E+00      -4.15743E-01
+     2                   -4.64873E-01       3.47477E-02
+     3                    3.25972E-02      -4.08680E-02
+     4                    1.91945E-02      -9.03816E-02
+4 0 *********** SCCS-ser-glu
+     1                    7.64680E-01      -6.78554E-01
+     2                    3.96633E-03       3.30346E-01
+     3                    8.40013E-02      -1.30851E-01
+     4                   -4.91193E-02      -7.39387E-02
+4 0 *********** SCCS-ser-asp
+     1                    1.28950E+00      -4.72641E-01
+     2                   -4.47849E-01       8.30029E-02
+     3                    2.25887E-02       3.44555E-02
+     4                    1.69517E-02      -7.94096E-02
+4 0 *********** SCCS-ser-his
+     1                    1.13239E+00      -4.48872E-01
+     2                   -2.52264E-01       2.14956E-02
+     3                    2.19007E-01       4.35203E-02
+     4                    7.47493E-02      -1.98832E-02
+4 0 *********** SCCS-ser-arg
+     1                    3.96490E-01      -5.99399E-01
+     2                    3.73001E-01       3.41080E-01
+     3                    1.05579E-01      -1.31530E-01
+     4                   -1.00618E-02      -1.83315E-03
+4 0 *********** SCCS-ser-lys
+     1                    2.66381E-01      -5.72008E-01
+     2                    3.93176E-01       4.27667E-01
+     3                    1.60034E-01      -5.56215E-02
+     4                   -9.38006E-03       2.60630E-02
+4 0 *********** SCCS-ser-pro
+     1                    1.75239E+00       7.86060E-02
+     2                   -7.34679E-01       6.12669E-02
+     3                    2.08017E-01      -5.04840E-02
+     4                    2.47507E-01      -1.67663E-02
+4 0 *********** SCCS-gln-cys
+     1                    5.79299E-01      -3.92261E-01
+     2                    4.78812E-02       1.59890E-01
+     3                   -4.19228E-04       9.15860E-03
+     4                    2.19637E-02      -9.74747E-03
+4 0 *********** SCCS-gln-met
+     1                    2.60284E-01      -4.42096E-01
+     2                    1.67225E-01       3.36405E-02
+     3                    3.09445E-03      -2.56183E-02
+     4                   -1.06754E-02      -1.63804E-03
+4 0 *********** SCCS-gln-phe
+     1                    1.87631E-01      -4.95490E-01
+     2                    1.83229E-01      -8.94963E-02
+     3                   -1.27097E-02      -2.03116E-02
+     4                    7.76995E-03       2.45116E-02
+4 0 *********** SCCS-gln-ile
+     1                    3.92171E-01      -4.79698E-01
+     2                    1.78783E-01       6.83637E-02
+     3                    6.47875E-03      -2.62212E-02
+     4                    2.31055E-03      -1.54887E-02
+4 0 *********** SCCS-gln-leu
+     1                    1.14007E-01      -4.60150E-01
+     2                    2.53930E-01      -4.84242E-02
+     3                    2.46070E-02      -3.40276E-02
+     4                   -3.00650E-02       1.14012E-02
+4 0 *********** SCCS-gln-val
+     1                    2.92983E-01      -4.80541E-01
+     2                    2.40605E-01       8.05510E-02
+     3                    2.49547E-02      -2.96703E-02
+     4                   -3.41654E-02      -2.04849E-02
+4 0 *********** SCCS-gln-trp
+     1                    2.75555E-01      -4.97123E-01
+     2                    1.26874E-01      -5.73869E-03
+     3                   -1.05645E-02      -1.30748E-02
+     4                   -2.01834E-03       1.13898E-03
+4 0 *********** SCCS-gln-tyr
+     1                    1.74347E-01      -4.97323E-01
+     2                    1.50749E-01      -9.23285E-02
+     3                   -1.36964E-02      -1.53743E-02
+     4                    5.29976E-03       1.10334E-02
+4 0 *********** SCCS-gln-ala
+     1                    2.34424E-01      -3.04211E-01
+     2                    2.31434E-01       1.61410E-01
+     3                    2.96583E-02       1.55498E-02
+     4                   -1.84200E-02      -4.01721E-02
+4 0 *********** SCCS-gln-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-gln-thr
+     1                    3.72524E-01      -4.51041E-01
+     2                    1.52057E-01       1.40094E-01
+     3                    3.02990E-02      -1.91968E-02
+     4                   -3.59983E-03      -2.59568E-02
+4 0 *********** SCCS-gln-ser
+     1                    7.06676E-01      -3.49953E-01
+     2                    2.15481E-02       2.18139E-01
+     3                   -7.06996E-03       3.61775E-02
+     4                    3.88715E-02      -1.19804E-02
+4 0 *********** SCCS-gln-gln
+     1                    3.45167E-01      -4.83364E-01
+     2                    1.09744E-01       8.74874E-02
+     3                   -1.41305E-02       1.23287E-02
+     4                   -2.35528E-02       4.53373E-04
+4 0 *********** SCCS-gln-asn
+     1                    6.05408E-01      -3.11408E-01
+     2                   -1.21350E-02       1.78216E-01
+     3                   -3.39004E-02       2.93603E-02
+     4                    1.65826E-02       2.08530E-02
+4 0 *********** SCCS-gln-glu
+     1                    3.57855E-01      -5.33509E-01
+     2                    1.46387E-01       6.89503E-02
+     3                    3.22538E-03       4.56514E-03
+     4                   -2.05340E-02      -7.87216E-03
+4 0 *********** SCCS-gln-asp
+     1                    6.42044E-01      -3.21931E-01
+     2                    1.24171E-02       1.71516E-01
+     3                   -2.30269E-02       3.44125E-02
+     4                    3.71335E-02       2.06943E-02
+4 0 *********** SCCS-gln-his
+     1                    5.81423E-01      -3.02122E-01
+     2                   -1.66860E-02       1.20394E-01
+     3                   -2.64290E-02      -1.31693E-02
+     4                    4.12599E-02       3.48810E-02
+4 0 *********** SCCS-gln-arg
+     1                    1.32993E-01      -4.67945E-01
+     2                    1.75658E-01      -4.29680E-02
+     3                   -4.65605E-03      -3.18778E-02
+     4                   -1.33197E-02       4.57256E-03
+4 0 *********** SCCS-gln-lys
+     1                    1.12536E-01      -4.26087E-01
+     2                    2.09075E-01      -1.43530E-02
+     3                    8.78889E-03      -2.92447E-02
+     4                   -2.20890E-02       3.54246E-03
+4 0 *********** SCCS-gln-pro
+     1                    7.34775E-01      -2.94956E-01
+     2                   -8.33276E-03       2.05041E-01
+     3                    8.67681E-03       1.83067E-02
+     4                    9.83198E-02       6.77699E-03
+4 0 *********** SCCS-asn-cys
+     1                    5.04335E-01      -7.39264E-01
+     2                    1.65204E-01       3.02986E-01
+     3                   -5.78337E-02      -3.47671E-02
+     4                   -2.37965E-02       1.77826E-02
+4 0 *********** SCCS-asn-met
+     1                    1.77178E-01      -6.13369E-01
+     2                    3.39709E-01       6.61443E-02
+     3                   -2.62225E-02      -8.08027E-02
+     4                   -1.42941E-02       2.09088E-02
+4 0 *********** SCCS-asn-phe
+     1                    2.14472E-01      -6.53363E-01
+     2                    3.62519E-01      -1.10511E-01
+     3                   -7.57402E-02       3.28164E-03
+     4                   -1.23714E-02       5.52818E-02
+4 0 *********** SCCS-asn-ile
+     1                    3.25121E-01      -7.10652E-01
+     2                    3.76442E-01       1.57116E-01
+     3                    1.16290E-02      -9.84483E-02
+     4                   -8.25687E-03      -3.35860E-04
+4 0 *********** SCCS-asn-leu
+     1                    1.29184E-01      -5.84371E-01
+     2                    5.58686E-01      -7.39847E-02
+     3                   -5.71794E-02      -1.53406E-02
+     4                    9.76635E-03       6.80307E-03
+4 0 *********** SCCS-asn-val
+     1                    2.15116E-01      -6.63449E-01
+     2                    4.94741E-01       1.82214E-01
+     3                    2.16339E-02      -1.10162E-01
+     4                   -1.48604E-02       6.05498E-03
+4 0 *********** SCCS-asn-trp
+     1                    2.23583E-01      -7.19405E-01
+     2                    2.14051E-01      -5.47469E-02
+     3                   -5.78897E-02      -9.80034E-03
+     4                    5.28692E-03       3.83168E-02
+4 0 *********** SCCS-asn-tyr
+     1                    1.74799E-01      -6.51312E-01
+     2                    3.33445E-01      -1.55248E-01
+     3                   -4.96369E-02      -1.86586E-02
+     4                    1.13473E-04       6.49258E-02
+4 0 *********** SCCS-asn-ala
+     1                    3.93563E-01      -3.61207E-01
+     2                    4.16689E-01       3.56767E-01
+     3                   -4.80322E-02      -1.47193E-01
+     4                   -1.46148E-02      -8.93927E-03
+4 0 *********** SCCS-asn-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-asn-thr
+     1                    3.01041E-01      -6.87682E-01
+     2                    3.44749E-01       1.81216E-01
+     3                    4.16396E-02      -8.47487E-02
+     4                   -4.45363E-02      -4.98194E-03
+4 0 *********** SCCS-asn-ser
+     1                    7.09361E-01      -7.69862E-01
+     2                    8.21010E-04       4.13794E-01
+     3                   -1.25945E-01       6.26593E-02
+     4                   -1.76184E-02      -1.81647E-02
+4 0 *********** SCCS-asn-gln
+     1                    2.43864E-01      -7.20861E-01
+     2                    1.91086E-01       1.52343E-01
+     3                   -2.69797E-02       6.76108E-03
+     4                   -4.41378E-02       4.58135E-02
+4 0 *********** SCCS-asn-asn
+     1                    7.30592E-01      -5.65273E-01
+     2                   -2.75405E-01       2.93682E-01
+     3                   -2.05638E-02      -9.66590E-03
+     4                    9.89644E-03       8.66577E-02
+4 0 *********** SCCS-asn-glu
+     1                    2.14632E-01      -7.88719E-01
+     2                    2.97187E-01       1.15949E-01
+     3                   -2.46968E-02      -1.43120E-03
+     4                   -1.08428E-02       2.79630E-02
+4 0 *********** SCCS-asn-asp
+     1                    8.22186E-01      -5.80883E-01
+     2                   -2.44168E-01       3.22652E-01
+     3                   -1.32451E-02       2.30903E-02
+     4                    1.41592E-02       7.94026E-02
+4 0 *********** SCCS-asn-his
+     1                    7.19791E-01      -5.65635E-01
+     2                   -2.64163E-01       1.25458E-01
+     3                    1.91594E-02      -1.18050E-01
+     4                    3.78487E-02       5.24126E-02
+4 0 *********** SCCS-asn-arg
+     1                    6.43093E-02      -6.13105E-01
+     2                    3.08886E-01      -7.30893E-02
+     3                   -6.80516E-02      -4.40328E-02
+     4                   -5.48462E-03       1.77752E-02
+4 0 *********** SCCS-asn-lys
+     1                    3.21498E-02      -5.46633E-01
+     2                    4.33619E-01      -3.83997E-02
+     3                   -2.22108E-02      -8.69999E-02
+     4                   -1.23561E-03       5.22853E-03
+4 0 *********** SCCS-asn-pro
+     1                    7.96828E-01      -6.84591E-01
+     2                   -5.26010E-02       4.56772E-01
+     3                   -1.28984E-01      -2.92455E-04
+     4                    1.10783E-01      -1.48442E-02
+4 0 *********** SCCS-glu-cys
+     1                    6.53687E-01      -4.34079E-01
+     2                    1.22866E-01       1.34640E-01
+     3                   -2.24722E-02      -4.32294E-02
+     4                    1.06070E-02      -7.61586E-03
+4 0 *********** SCCS-glu-met
+     1                    2.86066E-01      -4.82459E-01
+     2                    2.06963E-01      -3.97914E-03
+     3                   -2.44571E-02      -3.93101E-02
+     4                   -1.04628E-02      -4.58590E-03
+4 0 *********** SCCS-glu-phe
+     1                    2.15763E-01      -5.46055E-01
+     2                    1.95022E-01      -1.48417E-01
+     3                   -3.36618E-02      -1.10796E-02
+     4                   -4.21384E-04       2.54868E-02
+4 0 *********** SCCS-glu-ile
+     1                    4.41373E-01      -5.32014E-01
+     2                    2.34752E-01       2.82503E-02
+     3                   -2.51430E-02      -6.01055E-02
+     4                    7.50058E-03      -1.34671E-02
+4 0 *********** SCCS-glu-leu
+     1                    1.37141E-01      -4.97969E-01
+     2                    2.90161E-01      -1.08859E-01
+     3                    5.04866E-04      -1.64053E-02
+     4                   -2.79236E-02      -8.20153E-03
+4 0 *********** SCCS-glu-val
+     1                    3.34791E-01      -5.20620E-01
+     2                    3.01756E-01       2.81141E-02
+     3                   -8.05096E-03      -4.20069E-02
+     4                   -1.80520E-02      -3.07707E-02
+4 0 *********** SCCS-glu-trp
+     1                    3.03533E-01      -5.52919E-01
+     2                    1.40792E-01      -4.61200E-02
+     3                   -4.27719E-02      -1.67625E-02
+     4                   -2.07383E-03       9.02039E-03
+4 0 *********** SCCS-glu-tyr
+     1                    1.99606E-01      -5.47577E-01
+     2                    1.61049E-01      -1.51422E-01
+     3                   -3.22340E-02      -1.13962E-02
+     4                   -1.61419E-03       1.55745E-02
+4 0 *********** SCCS-glu-ala
+     1                    2.60662E-01      -3.28473E-01
+     2                    3.02258E-01       1.58958E-01
+     3                    5.30925E-03      -2.35769E-02
+     4                    1.05477E-02      -3.63619E-02
+4 0 *********** SCCS-glu-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-glu-thr
+     1                    4.14591E-01      -4.92306E-01
+     2                    2.06813E-01       1.14666E-01
+     3                    1.04520E-02      -4.84441E-02
+     4                    1.55668E-03      -2.39491E-02
+4 0 *********** SCCS-glu-ser
+     1                    8.20411E-01      -3.74788E-01
+     2                    1.41651E-01       2.12538E-01
+     3                   -6.21859E-03      -1.79885E-02
+     4                    3.80900E-02      -4.92337E-03
+4 0 *********** SCCS-glu-gln
+     1                    3.76192E-01      -5.30580E-01
+     2                    1.42354E-01       5.64657E-02
+     3                   -5.15342E-02      -1.01811E-04
+     4                   -2.54485E-02       8.47337E-03
+4 0 *********** SCCS-glu-asn
+     1                    6.68741E-01      -3.25679E-01
+     2                    5.95386E-02       2.08143E-01
+     3                   -3.75853E-02      -3.46718E-02
+     4                    8.52328E-03       3.37193E-02
+4 0 *********** SCCS-glu-glu
+     1                    3.97863E-01      -5.90618E-01
+     2                    1.81295E-01       2.15547E-02
+     3                   -3.83104E-02      -5.40193E-03
+     4                   -1.75773E-02      -1.93044E-03
+4 0 *********** SCCS-glu-asp
+     1                    7.26648E-01      -3.38866E-01
+     2                    9.14696E-02       2.01477E-01
+     3                   -2.62763E-03      -2.50737E-02
+     4                    1.37337E-02       3.33863E-02
+4 0 *********** SCCS-glu-his
+     1                    6.45652E-01      -3.22105E-01
+     2                    2.88133E-02       1.41654E-01
+     3                    1.41278E-02      -7.41916E-02
+     4                    1.84667E-02       3.66436E-02
+4 0 *********** SCCS-glu-arg
+     1                    1.47048E-01      -5.09324E-01
+     2                    1.93342E-01      -8.72346E-02
+     3                   -2.65704E-02      -3.06199E-02
+     4                   -1.38107E-02       1.72608E-03
+4 0 *********** SCCS-glu-lys
+     1                    1.27552E-01      -4.60023E-01
+     2                    2.41286E-01      -5.68118E-02
+     3                   -1.10430E-02      -2.82039E-02
+     4                   -1.80561E-02      -1.09528E-02
+4 0 *********** SCCS-glu-pro
+     1                    8.38284E-01      -3.23945E-01
+     2                    1.06881E-01       1.92895E-01
+     3                    5.24047E-02      -7.01651E-02
+     4                    1.19062E-01       1.62763E-02
+4 0 *********** SCCS-asp-cys
+     1                    4.83105E-01      -8.50263E-01
+     2                   -4.11716E-02       3.00082E-01
+     3                    3.82279E-02      -1.71003E-01
+     4                   -8.20459E-02      -5.36035E-02
+4 0 *********** SCCS-asp-met
+     1                    1.40426E-01      -6.26797E-01
+     2                    2.56246E-01       1.79435E-01
+     3                   -2.10572E-02      -1.16520E-01
+     4                   -4.84116E-02       3.00437E-02
+4 0 *********** SCCS-asp-phe
+     1                    1.56568E-01      -6.37251E-01
+     2                    3.27439E-01       1.39893E-02
+     3                   -1.14869E-01      -8.95667E-03
+     4                   -2.77096E-02       6.44187E-02
+4 0 *********** SCCS-asp-ile
+     1                    2.15592E-01      -7.70118E-01
+     2                    2.70457E-01       2.89710E-01
+     3                    3.17738E-03      -1.85282E-01
+     4                   -6.27790E-02       2.14411E-02
+4 0 *********** SCCS-asp-leu
+     1                   -2.93893E-02      -5.75986E-01
+     2                    5.44014E-01       1.32738E-01
+     3                   -1.10651E-01      -3.60087E-02
+     4                    2.26130E-02       4.31327E-02
+4 0 *********** SCCS-asp-val
+     1                    1.07323E-01      -7.01274E-01
+     2                    3.61795E-01       3.45811E-01
+     3                   -1.24262E-02      -1.76175E-01
+     4                   -7.10526E-02       3.98444E-02
+4 0 *********** SCCS-asp-trp
+     1                    1.86159E-01      -7.22919E-01
+     2                    1.85783E-01       4.21482E-02
+     3                   -9.32844E-02      -5.54396E-02
+     4                   -2.55758E-02       6.06168E-02
+4 0 *********** SCCS-asp-tyr
+     1                    1.39018E-01      -6.33202E-01
+     2                    3.11716E-01      -1.63136E-02
+     3                   -9.24718E-02      -1.39666E-02
+     4                   -3.23903E-02       7.58724E-02
+4 0 *********** SCCS-asp-ala
+     1                    2.56086E-01      -3.90897E-01
+     2                    2.57773E-01       4.97315E-01
+     3                    5.59778E-03      -1.74054E-01
+     4                   -5.38422E-02       1.42699E-02
+4 0 *********** SCCS-asp-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-asp-thr
+     1                    2.03327E-01      -7.52847E-01
+     2                    2.11769E-01       3.13518E-01
+     3                    4.13921E-02      -1.45323E-01
+     4                   -7.74979E-02      -1.39205E-02
+4 0 *********** SCCS-asp-ser
+     1                    7.12075E-01      -9.85017E-01
+     2                   -3.08707E-01       2.23254E-01
+     3                    1.47396E-02      -5.12763E-02
+     4                    1.54081E-02      -1.22346E-01
+4 0 *********** SCCS-asp-gln
+     1                    2.21200E-01      -7.68690E-01
+     2                    7.23771E-02       2.11751E-01
+     3                   -5.61602E-02      -5.74124E-02
+     4                   -8.91043E-02       3.00415E-02
+4 0 *********** SCCS-asp-asn
+     1                    6.98852E-01      -7.09029E-01
+     2                   -4.32059E-01       1.42390E-01
+     3                   -3.93393E-03      -5.02545E-02
+     4                   -5.04558E-02      -6.01278E-04
+4 0 *********** SCCS-asp-glu
+     1                    1.65649E-01      -8.47903E-01
+     2                    1.61248E-01       2.23107E-01
+     3                   -6.72565E-02      -6.83504E-02
+     4                   -7.00816E-02       4.97329E-02
+4 0 *********** SCCS-asp-asp
+     1                    7.63495E-01      -7.65348E-01
+     2                   -4.52690E-01       1.51719E-01
+     3                    1.68828E-02      -3.35116E-02
+     4                   -2.09857E-02      -2.80251E-02
+4 0 *********** SCCS-asp-his
+     1                    7.10676E-01      -6.82044E-01
+     2                   -3.51444E-01       1.93903E-02
+     3                    8.86603E-02      -1.24592E-01
+     4                    3.95921E-04      -1.62392E-02
+4 0 *********** SCCS-asp-arg
+     1                    2.65954E-02      -6.09657E-01
+     2                    3.01188E-01       6.08210E-02
+     3                   -7.38203E-02      -6.21253E-02
+     4                   -1.07636E-02       3.65483E-02
+4 0 *********** SCCS-asp-lys
+     1                   -3.73791E-02      -5.56543E-01
+     2                    4.02407E-01       1.23485E-01
+     3                   -2.51472E-02      -9.55247E-02
+     4                   -2.21670E-02       3.51783E-02
+4 0 *********** SCCS-asp-pro
+     1                    9.73967E-01      -1.11933E+00
+     2                   -3.14059E-01       2.47529E-01
+     3                    9.04799E-02      -1.17972E-01
+     4                    1.73933E-01      -1.08927E-01
+4 0 *********** SCCS-his-cys
+     1                    7.27451E-01      -6.17263E-01
+     2                    2.24001E-01       1.86860E-01
+     3                   -1.29393E-01      -4.74275E-02
+     4                   -4.47830E-03       2.39322E-02
+4 0 *********** SCCS-his-met
+     1                    2.94987E-01      -5.94858E-01
+     2                    3.46150E-01      -1.93141E-02
+     3                   -5.02700E-02      -5.86869E-02
+     4                   -1.14174E-02      -3.22966E-03
+4 0 *********** SCCS-his-phe
+     1                    2.56331E-01      -6.65620E-01
+     2                    3.20692E-01      -2.39858E-01
+     3                   -2.38650E-02      -6.01628E-02
+     4                   -2.90476E-03       4.87464E-02
+4 0 *********** SCCS-his-ile
+     1                    5.14914E-01      -6.54449E-01
+     2                    3.89567E-01       6.45248E-02
+     3                   -1.23832E-02      -9.75621E-02
+     4                    1.81857E-02      -2.40620E-02
+4 0 *********** SCCS-his-leu
+     1                    2.11255E-01      -6.01120E-01
+     2                    4.80494E-01      -1.65429E-01
+     3                   -3.59946E-02      -3.36199E-02
+     4                   -2.83814E-02      -2.57269E-02
+4 0 *********** SCCS-his-val
+     1                    3.45382E-01      -6.25744E-01
+     2                    5.10689E-01       6.28737E-02
+     3                    5.24011E-02      -5.08175E-02
+     4                    5.49148E-04      -7.00880E-02
+4 0 *********** SCCS-his-trp
+     1                    3.30128E-01      -6.99195E-01
+     2                    1.86006E-01      -9.33053E-02
+     3                   -8.47779E-02       2.85921E-03
+     4                    5.21840E-03       2.78977E-02
+4 0 *********** SCCS-his-tyr
+     1                    2.05324E-01      -6.55546E-01
+     2                    2.52059E-01      -2.50816E-01
+     3                   -4.66802E-02      -7.38547E-02
+     4                   -1.96874E-02       4.25820E-02
+4 0 *********** SCCS-his-ala
+     1                    3.78082E-01      -3.77172E-01
+     2                    4.30375E-01       2.55483E-01
+     3                   -3.69011E-02      -1.48321E-01
+     4                    3.08071E-03      -8.23733E-02
+4 0 *********** SCCS-his-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-his-thr
+     1                    4.59510E-01      -6.14091E-01
+     2                    3.88660E-01       1.39503E-01
+     3                   -1.34841E-03      -6.82452E-02
+     4                    9.93568E-03      -3.76383E-02
+4 0 *********** SCCS-his-ser
+     1                    9.85580E-01      -5.45681E-01
+     2                    2.59144E-01       3.51969E-01
+     3                   -1.14864E-01       1.59596E-02
+     4                    2.50892E-02       2.75788E-02
+4 0 *********** SCCS-his-gln
+     1                    3.80313E-01      -6.76119E-01
+     2                    2.07198E-01       7.93258E-02
+     3                   -9.89995E-02       4.14622E-02
+     4                   -3.20785E-02       3.47803E-02
+4 0 *********** SCCS-his-asn
+     1                    7.73626E-01      -5.06495E-01
+     2                    5.64873E-02       3.00441E-01
+     3                   -1.26639E-01      -2.65754E-02
+     4                   -2.40404E-02       3.74091E-02
+4 0 *********** SCCS-his-glu
+     1                    4.12108E-01      -7.48491E-01
+     2                    2.82602E-01       2.33478E-02
+     3                   -8.39211E-02       3.42983E-02
+     4                   -4.87447E-03       1.51172E-02
+4 0 *********** SCCS-his-asp
+     1                    8.79814E-01      -5.19494E-01
+     2                    9.46259E-02       2.93607E-01
+     3                   -6.31803E-02      -1.92788E-02
+     4                    6.62348E-03       4.73476E-02
+4 0 *********** SCCS-his-his
+     1                    7.89513E-01      -4.79056E-01
+     2                   -5.00126E-02       1.48417E-01
+     3                    5.22344E-03      -1.41744E-01
+     4                    2.22199E-02       3.77415E-02
+4 0 *********** SCCS-his-arg
+     1                    1.23988E-01      -6.17788E-01
+     2                    2.74559E-01      -1.55957E-01
+     3                   -5.46513E-02      -4.57139E-02
+     4                   -1.21850E-02       5.37295E-03
+4 0 *********** SCCS-his-lys
+     1                    1.36874E-01      -5.49372E-01
+     2                    3.98429E-01      -9.82276E-02
+     3                   -2.89139E-02      -6.02261E-02
+     4                   -1.21036E-02      -2.68769E-02
+4 0 *********** SCCS-his-pro
+     1                    1.11445E+00      -2.83047E-01
+     2                    9.70944E-02       5.11328E-01
+     3                   -1.58876E-01      -9.94195E-02
+     4                    5.62044E-02       1.22755E-02
+4 0 *********** SCCS-arg-cys
+     1                    4.83043E-01       8.05269E-02
+     2                    6.62858E-02      -8.76990E-02
+     3                    6.52651E-03      -6.39895E-02
+     4                    4.58964E-02      -2.81111E-02
+4 0 *********** SCCS-arg-met
+     1                    3.53757E-01      -7.83721E-02
+     2                   -5.05327E-02      -3.53860E-02
+     3                   -2.23256E-02      -8.98578E-03
+     4                   -7.23374E-03      -1.07788E-02
+4 0 *********** SCCS-arg-phe
+     1                    3.49698E-01      -1.42041E-01
+     2                   -5.78637E-02       1.33073E-02
+     3                   -3.96744E-02       1.13751E-02
+     4                   -2.68967E-02      -6.88529E-03
+4 0 *********** SCCS-arg-ile
+     1                    4.26213E-01      -4.48649E-02
+     2                   -4.21672E-02      -6.42310E-02
+     3                   -2.25076E-02      -2.02787E-02
+     4                    5.51533E-03      -2.68091E-02
+4 0 *********** SCCS-arg-leu
+     1                    3.31689E-01      -1.79217E-01
+     2                   -1.02750E-01       1.43590E-02
+     3                   -4.89729E-02      -1.11282E-02
+     4                   -5.22584E-02      -6.73114E-03
+4 0 *********** SCCS-arg-val
+     1                    4.01014E-01      -9.47134E-02
+     2                   -7.88450E-02      -5.46381E-02
+     3                   -3.42643E-02      -1.56198E-02
+     4                   -8.53573E-03      -3.14686E-02
+4 0 *********** SCCS-arg-trp
+     1                    3.77877E-01      -8.81707E-02
+     2                   -3.52631E-02      -4.05910E-02
+     3                   -2.28127E-02       3.00764E-03
+     4                   -6.61293E-03      -4.39263E-03
+4 0 *********** SCCS-arg-tyr
+     1                    3.39202E-01      -1.48287E-01
+     2                   -5.09901E-02       1.29384E-02
+     3                   -3.12958E-02       1.89707E-02
+     4                   -2.79499E-02       4.51563E-03
+4 0 *********** SCCS-arg-ala
+     1                    3.27350E-01      -4.65648E-04
+     2                   -9.34329E-02      -7.20440E-02
+     3                    1.54437E-02      -5.41022E-02
+     4                    1.50233E-02      -4.27157E-02
+4 0 *********** SCCS-arg-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-arg-thr
+     1                    4.16188E-01      -3.96263E-02
+     2                   -3.05151E-02      -8.98761E-02
+     3                   -2.15470E-02      -1.76025E-02
+     4                    1.75198E-03      -2.62010E-02
+4 0 *********** SCCS-arg-ser
+     1                    5.40146E-01       1.60164E-01
+     2                    8.56227E-02      -9.98365E-02
+     3                    7.71265E-02      -9.15047E-02
+     4                    8.31182E-02      -6.66454E-03
+4 0 *********** SCCS-arg-gln
+     1                    4.17829E-01      -5.23332E-02
+     2                   -2.02148E-02      -7.96567E-02
+     3                   -1.86421E-02      -2.05454E-02
+     4                   -1.04838E-02      -2.17097E-02
+4 0 *********** SCCS-arg-asn
+     1                    4.80883E-01       2.07288E-01
+     2                    7.02761E-02      -8.66131E-02
+     3                    9.76470E-02       1.62622E-02
+     4                    1.65610E-02       4.60411E-02
+4 0 *********** SCCS-arg-glu
+     1                    4.40522E-01      -8.51300E-02
+     2                   -2.89210E-02      -8.43066E-02
+     3                   -3.20608E-02      -2.20732E-02
+     4                   -1.69003E-02      -2.84614E-02
+4 0 *********** SCCS-arg-asp
+     1                    5.04984E-01       2.16997E-01
+     2                    7.50359E-02      -7.60829E-02
+     3                    8.80974E-02       1.85290E-02
+     4                    2.88681E-02       5.98583E-02
+4 0 *********** SCCS-arg-his
+     1                    4.58552E-01       2.17691E-01
+     2                    7.71597E-02      -6.47595E-02
+     3                    7.36474E-02       3.91082E-02
+     4                    2.24069E-02       6.55631E-02
+4 0 *********** SCCS-arg-arg
+     1                    3.17884E-01      -1.55971E-01
+     2                   -6.93383E-02      -8.30403E-03
+     3                   -2.72502E-02       7.38191E-03
+     4                   -1.98515E-02      -8.58105E-03
+4 0 *********** SCCS-arg-lys
+     1                    2.94370E-01      -1.55508E-01
+     2                   -8.09118E-02       4.41482E-03
+     3                   -2.38380E-02      -4.36194E-04
+     4                   -2.67591E-02      -3.07623E-03
+4 0 *********** SCCS-arg-pro
+     1                    4.93755E-01       1.94671E-01
+     2                    1.71186E-01      -8.91925E-02
+     3                    6.69637E-02      -5.68402E-02
+     4                    9.32563E-02       2.49224E-02
+4 0 *********** SCCS-lys-cys
+     1                    5.93637E-01       1.04087E-01
+     2                    8.60939E-03      -2.48690E-01
+     3                    1.00929E-01      -3.66544E-02
+     4                    8.48823E-03       1.28443E-02
+4 0 *********** SCCS-lys-met
+     1                    4.19430E-01      -9.45382E-02
+     2                   -1.73812E-01      -5.18851E-02
+     3                   -1.23521E-02      -1.82211E-02
+     4                    1.71650E-02       7.00269E-03
+4 0 *********** SCCS-lys-phe
+     1                    4.05854E-01      -1.52236E-01
+     2                   -1.83981E-01       5.43363E-02
+     3                   -4.01237E-02      -2.99043E-02
+     4                    1.69326E-02      -1.75676E-02
+4 0 *********** SCCS-lys-ile
+     1                    5.11302E-01      -6.84253E-02
+     2                   -1.73310E-01      -1.33269E-01
+     3                   -7.38912E-03      -3.75648E-02
+     4                    1.06053E-02       1.21083E-02
+4 0 *********** SCCS-lys-leu
+     1                    3.68681E-01      -2.04273E-01
+     2                   -2.82440E-01       6.06387E-02
+     3                   -3.11424E-02      -2.11212E-02
+     4                    2.68833E-02      -6.60880E-03
+4 0 *********** SCCS-lys-val
+     1                    4.66384E-01      -1.32438E-01
+     2                   -2.51764E-01      -1.04951E-01
+     3                   -2.44270E-02      -4.50107E-02
+     4                    1.81820E-02       1.12568E-02
+4 0 *********** SCCS-lys-trp
+     1                    4.62284E-01      -1.11394E-01
+     2                   -1.27965E-01      -4.37476E-02
+     3                   -7.59629E-03      -2.61331E-02
+     4                    1.23499E-02      -8.34634E-03
+4 0 *********** SCCS-lys-tyr
+     1                    3.95190E-01      -1.53017E-01
+     2                   -1.61562E-01       6.64359E-02
+     3                   -4.03208E-02      -1.81493E-02
+     4                    1.39083E-02      -2.17163E-02
+4 0 *********** SCCS-lys-ala
+     1                    3.43197E-01      -5.33229E-03
+     2                   -2.45017E-01      -1.66817E-01
+     3                    1.80786E-02       1.62145E-02
+     4                    4.71477E-03       2.23686E-02
+4 0 *********** SCCS-lys-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-lys-thr
+     1                    5.08714E-01      -7.02501E-02
+     2                   -1.65888E-01      -1.67768E-01
+     3                   -8.46236E-03      -4.49925E-02
+     4                    5.11848E-03       1.53504E-02
+4 0 *********** SCCS-lys-ser
+     1                    6.66779E-01       1.85446E-01
+     2                    1.05165E-01      -3.11994E-01
+     3                    1.85471E-01      -3.31472E-02
+     4                    2.66693E-02       8.10383E-03
+4 0 *********** SCCS-lys-gln
+     1                    5.14197E-01      -7.03192E-02
+     2                   -1.20402E-01      -1.49961E-01
+     3                    1.55007E-02      -6.07030E-02
+     4                    1.40581E-02       8.34558E-04
+4 0 *********** SCCS-lys-asn
+     1                    5.96174E-01       2.14942E-01
+     2                    1.61615E-01      -2.48920E-01
+     3                    9.87628E-02       5.68328E-02
+     4                    4.13750E-02      -1.46832E-02
+4 0 *********** SCCS-lys-glu
+     1                    5.42539E-01      -1.13554E-01
+     2                   -1.62501E-01      -1.45900E-01
+     3                   -2.64756E-03      -7.16020E-02
+     4                    1.43699E-02      -1.54648E-03
+4 0 *********** SCCS-lys-asp
+     1                    6.29323E-01       2.29069E-01
+     2                    1.65640E-01      -2.47336E-01
+     3                    1.15160E-01       4.80810E-02
+     4                    3.50094E-02      -6.00468E-03
+4 0 *********** SCCS-lys-his
+     1                    5.64122E-01       2.42482E-01
+     2                    1.81004E-01      -1.78154E-01
+     3                    5.88946E-02       7.53375E-02
+     4                    2.06019E-02       3.69907E-04
+4 0 *********** SCCS-lys-arg
+     1                    3.75256E-01      -1.84567E-01
+     2                   -1.80690E-01       3.21784E-02
+     3                   -2.70698E-02      -2.71976E-03
+     4                    1.32207E-02      -1.26064E-02
+4 0 *********** SCCS-lys-lys
+     1                    3.42418E-01      -1.84838E-01
+     2                   -2.23634E-01       3.89768E-02
+     3                   -3.39660E-02       4.62144E-03
+     4                    1.60552E-02      -8.28990E-04
+4 0 *********** SCCS-lys-pro
+     1                    7.37156E-01       2.16273E-01
+     2                    2.48115E-01      -3.27222E-01
+     3                    2.35046E-01       1.41540E-02
+     4                    6.93851E-02       7.56463E-03
+4 0 *********** SCCS-pro-cys
+     1                    1.13780E-02      -1.23190E+00
+     2                    4.30319E-01      -1.21847E-02
+     3                   -1.90232E-01      -7.70950E-02
+     4                    4.58235E-02       1.06327E-01
+4 0 *********** SCCS-pro-met
+     1                   -1.84507E-01      -7.35658E-01
+     2                    2.87352E-01      -2.79193E-01
+     3                   -1.81757E-01       8.84524E-03
+     4                    3.74601E-02       3.79035E-03
+4 0 *********** SCCS-pro-phe
+     1                   -1.14972E-01      -8.53847E-01
+     2                    5.74763E-02      -4.44151E-01
+     3                   -9.15213E-02       1.21792E-01
+     4                    2.42959E-02       2.01774E-03
+4 0 *********** SCCS-pro-ile
+     1                   -1.03687E-01      -9.86016E-01
+     2                    3.98442E-01      -3.27663E-01
+     3                   -2.79029E-01      -7.41475E-02
+     4                    4.12773E-02       2.16419E-02
+4 0 *********** SCCS-pro-leu
+     1                   -2.05953E-01      -6.91923E-01
+     2                    2.85752E-01      -6.85504E-01
+     3                   -1.60724E-01       1.19944E-01
+     4                   -6.45520E-02      -6.42387E-02
+4 0 *********** SCCS-pro-val
+     1                   -1.85155E-01      -8.48909E-01
+     2                    5.64419E-01      -3.99767E-01
+     3                   -3.07340E-01      -7.26555E-02
+     4                    6.37718E-02      -5.04584E-02
+4 0 *********** SCCS-pro-trp
+     1                   -1.72140E-01      -9.14169E-01
+     2                    1.95891E-02      -2.67473E-01
+     3                   -1.08564E-01       1.07980E-01
+     4                    7.27866E-02       1.27050E-02
+4 0 *********** SCCS-pro-tyr
+     1                   -1.28581E-01      -8.31327E-01
+     2                    4.68794E-02      -4.34261E-01
+     3                   -7.98146E-02       1.17122E-01
+     4                    2.02865E-02       1.46850E-02
+4 0 *********** SCCS-pro-ala
+     1                    2.45019E-01      -6.34920E-01
+     2                    6.31995E-01      -2.51828E-01
+     3                   -2.36710E-01      -9.32386E-02
+     4                    6.83390E-02      -2.85267E-02
+4 0 *********** SCCS-pro-gly
+     1                    0.00000E+00       0.00000E+00
+     2                    0.00000E+00       0.00000E+00
+     3                    0.00000E+00       0.00000E+00
+     4                    0.00000E+00       0.00000E+00
+4 0 *********** SCCS-pro-thr
+     1                   -1.19482E-01      -9.21813E-01
+     2                    3.95093E-01      -2.48604E-01
+     3                   -2.12446E-01      -1.08968E-01
+     4                    3.51352E-02       4.08504E-02
+4 0 *********** SCCS-pro-ser
+     1                    9.66746E-02      -1.87464E+00
+     2                    3.34680E-01       3.71959E-01
+     3                   -1.74631E-02      -1.24877E-01
+     4                   -7.73451E-02       9.44713E-02
+4 0 *********** SCCS-pro-gln
+     1                   -1.92023E-01      -9.29464E-01
+     2                    2.35227E-01      -6.67535E-02
+     3                   -5.85362E-02       4.72724E-03
+     4                    9.18944E-02       4.08748E-02
+4 0 *********** SCCS-pro-asn
+     1                    3.87595E-01      -1.23464E+00
+     2                    2.12310E-02       4.88199E-01
+     3                    7.85162E-02      -6.75623E-02
+     4                   -3.44742E-03       4.76528E-02
+4 0 *********** SCCS-pro-glu
+     1                   -2.83068E-01      -1.01776E+00
+     2                    2.88416E-01      -2.00060E-01
+     3                   -1.28540E-01       4.60875E-03
+     4                    1.04337E-01       1.33568E-02
+4 0 *********** SCCS-pro-asp
+     1                    5.38418E-01      -1.43528E+00
+     2                    1.54838E-02       4.69489E-01
+     3                    1.64083E-01      -7.46719E-02
+     4                   -4.17517E-03       1.51138E-02
+4 0 *********** SCCS-pro-his
+     1                    4.45082E-01      -1.23950E+00
+     2                   -1.94661E-01       2.57807E-01
+     3                   -1.00110E-01      -6.75693E-02
+     4                   -7.17474E-02       5.71482E-02
+4 0 *********** SCCS-pro-arg
+     1                   -2.70182E-01      -6.77603E-01
+     2                    1.11620E-01      -3.38473E-01
+     3                   -1.12996E-01       9.27559E-02
+     4                    1.13361E-02      -5.10264E-03
+4 0 *********** SCCS-pro-lys
+     1                   -3.12404E-01      -5.56698E-01
+     2                    2.96887E-01      -4.31599E-01
+     3                   -1.84841E-01       2.85067E-02
+     4                    1.47292E-02      -1.92123E-02
+4 0 *********** SCCS-pro-pro
+     1                    4.75981E-01      -3.04401E+00
+     2                    1.03330E-01       2.29809E-01
+     3                   -2.61299E-01      -3.79309E-01
+     4                   -2.52541E-01       6.54833E-01
diff --git a/PARAM/scinter_GBV_extGB.parm b/PARAM/scinter_GBV_extGB.parm
new file mode 100644 (file)
index 0000000..fe17f1c
--- /dev/null
+++ b/PARAM/scinter_GBV_extGB.parm
@@ -0,0 +1,252 @@
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diff --git a/PARAM/scinter_GBV_ext_lipid.parm b/PARAM/scinter_GBV_ext_lipid.parm
new file mode 100644 (file)
index 0000000..af25062
--- /dev/null
+++ b/PARAM/scinter_GBV_ext_lipid.parm
@@ -0,0 +1,252 @@
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diff --git a/PARAM/scinter_GBV_ext_soft.parm b/PARAM/scinter_GBV_ext_soft.parm
new file mode 100644 (file)
index 0000000..fc390d6
--- /dev/null
+++ b/PARAM/scinter_GBV_ext_soft.parm
@@ -0,0 +1,252 @@
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diff --git a/PARAM/scinter_GB_ext_lip.parm b/PARAM/scinter_GB_ext_lip.parm
new file mode 100644 (file)
index 0000000..e600c30
--- /dev/null
+++ b/PARAM/scinter_GB_ext_lip.parm
@@ -0,0 +1,245 @@
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diff --git a/PARAM/theta_abinitio_old_ext.parm b/PARAM/theta_abinitio_old_ext.parm
new file mode 100644 (file)
index 0000000..877c21f
--- /dev/null
+++ b/PARAM/theta_abinitio_old_ext.parm
@@ -0,0 +1,30602 @@
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+  3.7403714E-03
+   154.0847    
+   78.66828    
+  -122.9109    
+  -14.26537    
+   27.99301    
+   15.48400    
+  -26.11908    
+  -3.871378    
+   101.4292    
+  -53.30573    
+  -60.18475    
+   30.35409    
+ -2.9541567E-02
+  3.7588563E-02
+  2.4946695E-02
+ -1.1188255E-02
+  1.6433999E-02
+  4.9129976E-03
+  1.1623231E-02
+ -7.6237740E-03
+  1.7831307E-02
+ -7.5918161E-03
+  3.4355741E-02
+ -2.7162447E-03
+  -54.80663    
+  -42.84286    
+   40.22229    
+   1.240421    
+  -9.032122    
+  -2.943168    
+   24.95329    
+   13.86498    
+  -39.30464    
+   11.76576    
+   20.48846    
+  -11.12387    
+ -7.1608022E-02
+  3.5584066E-02
+ -2.0582635E-02
+  8.7066449E-02
+  2.6612367E-02
+ -4.5444228E-02
+  0.1303590    
+ -0.1111614    
+  0.1000274    
+  1.6263640E-02
+  8.7144710E-02
+ -0.1378552    
+ -4.0331300E-02
+ -9.5658693E-03
+ -5.6459874E-02
+  1.5467360E-02
+ -2.6439713E-02
+ -5.2557173E-03
+ -6.2349420E-02
+  9.9208161E-02
+  0.1361632    
+  1.2831694E-02
+ -0.2574936    
+  0.2638141    
+  0.1090910    
+ -6.5480500E-02
+  3.8706210E-02
+ -0.1252768    
+ -3.7999891E-02
+  6.4177416E-02
+ -0.1677951    
+  0.1481414    
+ -0.1347214    
+ -1.5331365E-02
+ -0.1309696    
+  0.1939584    
+  4.7717128E-02
+  1.8072767E-02
+  6.4959258E-02
+ -1.5106858E-02
+  2.7461417E-02
+ -5.0757551E-03
+  9.8153248E-02
+ -0.1361066    
+ -0.1414885    
+  1.0891913E-02
+  0.3703385    
+ -0.3747290    
+ -7.7770539E-02
+  5.1273897E-02
+ -3.2598436E-02
+  8.8780545E-02
+  3.1091060E-02
+ -4.3314029E-02
+  0.1070941    
+ -9.7703770E-02
+  8.6617872E-02
+  8.7651433E-03
+  9.3133159E-02
+ -0.1323690    
+ -2.6638107E-02
+ -1.1997647E-02
+ -3.6536358E-02
+  6.9236760E-03
+ -1.6913574E-02
+  9.7359857E-03
+ -7.6541364E-02
+  9.2509352E-02
+  6.5237902E-02
+ -3.0115316E-02
+ -0.2502348    
+  0.2534153    
+  3.7055217E-02
+ -2.8782053E-02
+  1.5815204E-02
+ -3.5441872E-02
+ -1.1400733E-02
+  1.8921519E-02
+ -3.5925221E-02
+  3.7552673E-02
+ -3.4603976E-02
+  1.0591260E-03
+ -4.1209765E-02
+  5.2901961E-02
+  5.6348932E-03
+  6.7563592E-03
+  9.3315598E-03
+  1.0719898E-03
+  2.5631790E-03
+ -1.0233232E-02
+  3.4986563E-02
+ -3.8358167E-02
+ -5.0319121E-03
+  2.1804750E-02
+  0.1086298    
+ -0.1057254    
diff --git a/PARAM/tor_opt_iter0_7prot-eps.parm b/PARAM/tor_opt_iter0_7prot-eps.parm
new file mode 100644 (file)
index 0000000..cd0a229
--- /dev/null
+++ b/PARAM/tor_opt_iter0_7prot-eps.parm
@@ -0,0 +1,252 @@
+3  ***  Optimized torsional parameters 7p_wham_last  ***  
+1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1
+6 0 ** Gly-D-Pro-reg
+     1                   -1.02141E+00      -1.21787E+00
+     2                    2.66194E-03       1.01052E-02
+     3                    1.41880E-02      -1.29145E-02
+     4                   -5.54912E-02      -1.54449E-02
+     5                    2.72669E-02       4.68748E-02
+     6                    7.92569E-03      -3.12502E-02
+6 0 ** Gly-D-Ala-reg
+     1                    9.97046E-02       2.66476E-01
+     2                   -1.69687E-02      -4.91316E-02
+     3                    2.50219E-01      -6.24989E-02
+     4                   -1.52445E-01      -1.24202E-01
+     5                   -9.21242E-03      -9.52846E-04
+     6                    6.34622E-03      -4.58307E-03
+ 6 0  ************  G-G
+     1                    2.91221E-01       0.00000E+00
+     2                    1.97221E-01       0.00000E+00
+     3                    3.47215E-02       0.00000E+00
+     4                   -1.25868E-01       0.00000E+00
+     5                   -8.07275E-02       0.00000E+00
+     6                   -3.07820E-03       0.00000E+00
+ 6 0  ************  G-A
+     1                    1.37258E-01      -1.87823E-01
+     2                   -3.24314E-03      -1.14115E-01
+     3                    1.00886E-01       6.20938E-02
+     4                   -1.24448E-01       1.61747E-01
+     5                   -1.22389E-02       1.29629E-01
+     6                    1.18244E-02      -7.32819E-02
+10 0  ************  G-P
+     1                   -2.35280E-01       4.47825E-01
+     2                    2.25332E-01       4.39143E-01
+     3                    8.54137E-02      -3.13391E-02
+     4                    9.34821E-04      -5.34886E-03
+     5                    1.29469E-01       2.38018E-01
+     6                   -1.67401E-01       1.36767E-01
+     7                   -9.09952E-03      -1.50380E-01
+     8                    1.59178E-01       1.58505E-02
+     9                   -5.07021E-02       9.02235E-02
+    10                   -2.74002E-02       3.70860E-02
+6 0 ** L-Ala-D-Pro-reg
+     1                   -3.67336E+00       1.98471E+00
+     2                   -6.26727E-01      -8.14864E-02
+     3                    2.43704E-02      -1.02431E+00
+     4                    3.16312E-01       1.87132E-01
+     5                    2.66420E-01       1.43927E-01
+     6                   -2.65977E-01       5.94169E-02
+6 0 ** L-Ala-D-Ala-reg
+     1                   -7.75462E-01       4.16758E-01
+     2                    2.23510E-02       6.78839E-02
+     3                    2.54868E-01      -8.31567E-02
+     4                   -7.10523E-02      -1.74577E-01
+     5                    3.33282E-02       3.98392E-02
+     6                    1.56054E-04      -1.41661E-02
+ 6 0  ************  A-G
+     1                   -2.29844E-01       8.10157E-02
+     2                   -7.16965E-02       8.72173E-02
+     3                    3.14208E-01      -5.35383E-02
+     4                   -2.02452E-01      -6.71549E-02
+     5                    6.37359E-02      -3.21902E-02
+     6                    1.20409E-02      -4.77091E-02
+ 6 0  ************  A-A
+     1                    4.84934E-01       1.01827E-01
+     2                    2.02908E-01      -1.57752E-01
+     3                    1.83892E-01      -9.11332E-03
+     4                   -5.50573E-02       3.62865E-02
+     5                    2.01397E-02       1.58844E-02
+     6                    6.37922E-03       2.45381E-03
+10 0  ************  A-P
+     1                    1.05440E+00       1.99420E+00
+     2                    4.15367E-01       2.58231E-01
+     3                    4.38811E-01       1.78360E-01
+     4                   -6.03233E-02       1.44596E-01
+     5                   -1.32748E-01      -8.30658E-02
+     6                    7.92515E-02      -1.23210E-01
+     7                    1.46959E-01       9.69035E-02
+     8                   -8.27696E-02       2.19985E-01
+     9                   -2.20971E-01       9.42558E-04
+    10                   -2.11828E-02      -3.91532E-02
+6 0 ** L-Pro-D-Pro-reg
+     1                   -3.40143E+00      -3.68917E+00
+     2                   -1.79356E+00       1.27378E+00
+     3                    1.52538E+00       1.51128E-01
+     4                   -1.16399E-01      -9.80625E-01
+     5                   -5.43709E-01       4.32254E-01
+     6                    3.39955E-01       1.28204E-01
+6 0 ** L-Pro-D-Ala-reg
+     1                   -7.91570E-01       1.00745E+00
+     2                    2.89816E-03      -1.42421E-01
+     3                    2.00092E-01      -1.46860E-01
+     4                    4.75906E-02       1.23842E-01
+     5                   -2.88990E-02      -2.23460E-02
+     6                    8.92327E-03      -2.80002E-02
+10 0  ************  P-G
+     1                    2.12359E-02       4.05506E-02
+     2                   -1.19424E-01       2.91087E-01
+     3                    3.81770E-01      -1.11839E-01
+     4                   -9.75339E-02      -7.60089E-02
+     5                   -5.00214E-02       3.42037E-02
+     6                    8.12296E-02       3.98713E-02
+     7                   -1.21613E-02      -4.57682E-02
+     8                    6.95870E-03       2.28245E-02
+     9                    2.02598E-02      -2.00100E-02
+    10                   -1.48685E-02      -1.09627E-02
+10 0  ************  P-A
+     1                   -5.30371E-01      -3.79838E-03
+     2                    6.32663E-02      -1.09521E-01
+     3                    1.21519E-01       8.43223E-03
+     4                   -7.80575E-03       3.76829E-02
+     5                   -4.82717E-02      -4.37033E-02
+     6                   -1.47599E-02       9.06497E-02
+     7                    4.59200E-02       2.27528E-02
+     8                   -7.44594E-02       4.24939E-02
+     9                   -4.90352E-02      -2.08349E-02
+    10                   -8.46346E-02      -1.07298E-02
+10 0  ************  P-P
+     1                    4.23486E+00       7.87119E-01
+     2                    2.59217E+00      -3.33044E-01
+     3                    1.24864E+00      -4.98088E-01
+     4                    1.16294E-01      -1.79001E-01
+     5                   -9.55402E-01       1.83034E-01
+     6                   -1.87536E+00       2.47282E-01
+     7                   -2.44663E+00       5.47506E-01
+     8                   -2.27142E+00       8.14203E-01
+     9                   -1.33942E+00       7.88906E-01
+    10                   -4.40969E-01       2.69137E-01
+6 0 ** Gly-D-Pro-reg
+     1                   -1.02141E+00      -1.21787E+00
+     2                    2.66194E-03       1.01052E-02
+     3                    1.41880E-02      -1.29145E-02
+     4                   -5.54912E-02      -1.54449E-02
+     5                    2.72669E-02       4.68748E-02
+     6                    7.92569E-03      -3.12502E-02
+6 0 ** Gly-D-Ala-reg
+     1                    9.97046E-02       2.66476E-01
+     2                   -1.69687E-02      -4.91316E-02
+     3                    2.50219E-01      -6.24989E-02
+     4                   -1.52445E-01      -1.24202E-01
+     5                   -9.21242E-03      -9.52846E-04
+     6                    6.34622E-03      -4.58307E-03
+ 6 0  ************  G-G
+     1                    2.91221E-01       0.00000E+00
+     2                    1.97221E-01       0.00000E+00
+     3                    3.47215E-02       0.00000E+00
+     4                   -1.25868E-01       0.00000E+00
+     5                   -8.07275E-02       0.00000E+00
+     6                   -3.07820E-03       0.00000E+00
+ 6 0  ************  G-A
+     1                    1.37258E-01      -1.87823E-01
+     2                   -3.24314E-03      -1.14115E-01
+     3                    1.00886E-01       6.20938E-02
+     4                   -1.24448E-01       1.61747E-01
+     5                   -1.22389E-02       1.29629E-01
+     6                    1.18244E-02      -7.32819E-02
+10 0  ************  G-P
+     1                   -2.35280E-01       4.47825E-01
+     2                    2.25332E-01       4.39143E-01
+     3                    8.54137E-02      -3.13391E-02
+     4                    9.34821E-04      -5.34886E-03
+     5                    1.29469E-01       2.38018E-01
+     6                   -1.67401E-01       1.36767E-01
+     7                   -9.09952E-03      -1.50380E-01
+     8                    1.59178E-01       1.58505E-02
+     9                   -5.07021E-02       9.02235E-02
+    10                   -2.74002E-02       3.70860E-02
+6 0 ** L-Ala-D-Pro-reg
+     1                   -3.67336E+00       1.98471E+00
+     2                   -6.26727E-01      -8.14864E-02
+     3                    2.43704E-02      -1.02431E+00
+     4                    3.16312E-01       1.87132E-01
+     5                    2.66420E-01       1.43927E-01
+     6                   -2.65977E-01       5.94169E-02
+6 0 ** L-Ala-D-Ala-reg
+     1                   -7.75462E-01       4.16758E-01
+     2                    2.23510E-02       6.78839E-02
+     3                    2.54868E-01      -8.31567E-02
+     4                   -7.10523E-02      -1.74577E-01
+     5                    3.33282E-02       3.98392E-02
+     6                    1.56054E-04      -1.41661E-02
+ 6 0  ************  A-G
+     1                   -2.29844E-01       8.10157E-02
+     2                   -7.16965E-02       8.72173E-02
+     3                    3.14208E-01      -5.35383E-02
+     4                   -2.02452E-01      -6.71549E-02
+     5                    6.37359E-02      -3.21902E-02
+     6                    1.20409E-02      -4.77091E-02
+ 6 0  ************  A-A
+     1                    4.84934E-01       1.01827E-01
+     2                    2.02908E-01      -1.57752E-01
+     3                    1.83892E-01      -9.11332E-03
+     4                   -5.50573E-02       3.62865E-02
+     5                    2.01397E-02       1.58844E-02
+     6                    6.37922E-03       2.45381E-03
+10 0  ************  A-P
+     1                    1.05440E+00       1.99420E+00
+     2                    4.15367E-01       2.58231E-01
+     3                    4.38811E-01       1.78360E-01
+     4                   -6.03233E-02       1.44596E-01
+     5                   -1.32748E-01      -8.30658E-02
+     6                    7.92515E-02      -1.23210E-01
+     7                    1.46959E-01       9.69035E-02
+     8                   -8.27696E-02       2.19985E-01
+     9                   -2.20971E-01       9.42558E-04
+    10                   -2.11828E-02      -3.91532E-02
+6 0 ** L-Pro-D-Pro-reg
+     1                   -3.40143E+00      -3.68917E+00
+     2                   -1.79356E+00       1.27378E+00
+     3                    1.52538E+00       1.51128E-01
+     4                   -1.16399E-01      -9.80625E-01
+     5                   -5.43709E-01       4.32254E-01
+     6                    3.39955E-01       1.28204E-01
+6 0 ** L-Pro-D-Ala-reg
+     1                   -7.91570E-01       1.00745E+00
+     2                    2.89816E-03      -1.42421E-01
+     3                    2.00092E-01      -1.46860E-01
+     4                    4.75906E-02       1.23842E-01
+     5                   -2.88990E-02      -2.23460E-02
+     6                    8.92327E-03      -2.80002E-02
+10 0  ************  P-G
+     1                    2.12359E-02       4.05506E-02
+     2                   -1.19424E-01       2.91087E-01
+     3                    3.81770E-01      -1.11839E-01
+     4                   -9.75339E-02      -7.60089E-02
+     5                   -5.00214E-02       3.42037E-02
+     6                    8.12296E-02       3.98713E-02
+     7                   -1.21613E-02      -4.57682E-02
+     8                    6.95870E-03       2.28245E-02
+     9                    2.02598E-02      -2.00100E-02
+    10                   -1.48685E-02      -1.09627E-02
+10 0  ************  P-A
+     1                   -5.30371E-01      -3.79838E-03
+     2                    6.32663E-02      -1.09521E-01
+     3                    1.21519E-01       8.43223E-03
+     4                   -7.80575E-03       3.76829E-02
+     5                   -4.82717E-02      -4.37033E-02
+     6                   -1.47599E-02       9.06497E-02
+     7                    4.59200E-02       2.27528E-02
+     8                   -7.44594E-02       4.24939E-02
+     9                   -4.90352E-02      -2.08349E-02
+    10                   -8.46346E-02      -1.07298E-02
+10 0  ************  P-P
+     1                    4.23486E+00       7.87119E-01
+     2                    2.59217E+00      -3.33044E-01
+     3                    1.24864E+00      -4.98088E-01
+     4                    1.16294E-01      -1.79001E-01
+     5                   -9.55402E-01       1.83034E-01
+     6                   -1.87536E+00       2.47282E-01
+     7                   -2.44663E+00       5.47506E-01
+     8                   -2.27142E+00       8.14203E-01
+     9                   -1.33942E+00       7.88906E-01
+    10                   -4.40969E-01       2.69137E-01
diff --git a/PARAM/tor_opt_iter0_7prot-eps_ext.parm b/PARAM/tor_opt_iter0_7prot-eps_ext.parm
new file mode 100644 (file)
index 0000000..cd0a229
--- /dev/null
+++ b/PARAM/tor_opt_iter0_7prot-eps_ext.parm
@@ -0,0 +1,252 @@
+3  ***  Optimized torsional parameters 7p_wham_last  ***  
+1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1
+6 0 ** Gly-D-Pro-reg
+     1                   -1.02141E+00      -1.21787E+00
+     2                    2.66194E-03       1.01052E-02
+     3                    1.41880E-02      -1.29145E-02
+     4                   -5.54912E-02      -1.54449E-02
+     5                    2.72669E-02       4.68748E-02
+     6                    7.92569E-03      -3.12502E-02
+6 0 ** Gly-D-Ala-reg
+     1                    9.97046E-02       2.66476E-01
+     2                   -1.69687E-02      -4.91316E-02
+     3                    2.50219E-01      -6.24989E-02
+     4                   -1.52445E-01      -1.24202E-01
+     5                   -9.21242E-03      -9.52846E-04
+     6                    6.34622E-03      -4.58307E-03
+ 6 0  ************  G-G
+     1                    2.91221E-01       0.00000E+00
+     2                    1.97221E-01       0.00000E+00
+     3                    3.47215E-02       0.00000E+00
+     4                   -1.25868E-01       0.00000E+00
+     5                   -8.07275E-02       0.00000E+00
+     6                   -3.07820E-03       0.00000E+00
+ 6 0  ************  G-A
+     1                    1.37258E-01      -1.87823E-01
+     2                   -3.24314E-03      -1.14115E-01
+     3                    1.00886E-01       6.20938E-02
+     4                   -1.24448E-01       1.61747E-01
+     5                   -1.22389E-02       1.29629E-01
+     6                    1.18244E-02      -7.32819E-02
+10 0  ************  G-P
+     1                   -2.35280E-01       4.47825E-01
+     2                    2.25332E-01       4.39143E-01
+     3                    8.54137E-02      -3.13391E-02
+     4                    9.34821E-04      -5.34886E-03
+     5                    1.29469E-01       2.38018E-01
+     6                   -1.67401E-01       1.36767E-01
+     7                   -9.09952E-03      -1.50380E-01
+     8                    1.59178E-01       1.58505E-02
+     9                   -5.07021E-02       9.02235E-02
+    10                   -2.74002E-02       3.70860E-02
+6 0 ** L-Ala-D-Pro-reg
+     1                   -3.67336E+00       1.98471E+00
+     2                   -6.26727E-01      -8.14864E-02
+     3                    2.43704E-02      -1.02431E+00
+     4                    3.16312E-01       1.87132E-01
+     5                    2.66420E-01       1.43927E-01
+     6                   -2.65977E-01       5.94169E-02
+6 0 ** L-Ala-D-Ala-reg
+     1                   -7.75462E-01       4.16758E-01
+     2                    2.23510E-02       6.78839E-02
+     3                    2.54868E-01      -8.31567E-02
+     4                   -7.10523E-02      -1.74577E-01
+     5                    3.33282E-02       3.98392E-02
+     6                    1.56054E-04      -1.41661E-02
+ 6 0  ************  A-G
+     1                   -2.29844E-01       8.10157E-02
+     2                   -7.16965E-02       8.72173E-02
+     3                    3.14208E-01      -5.35383E-02
+     4                   -2.02452E-01      -6.71549E-02
+     5                    6.37359E-02      -3.21902E-02
+     6                    1.20409E-02      -4.77091E-02
+ 6 0  ************  A-A
+     1                    4.84934E-01       1.01827E-01
+     2                    2.02908E-01      -1.57752E-01
+     3                    1.83892E-01      -9.11332E-03
+     4                   -5.50573E-02       3.62865E-02
+     5                    2.01397E-02       1.58844E-02
+     6                    6.37922E-03       2.45381E-03
+10 0  ************  A-P
+     1                    1.05440E+00       1.99420E+00
+     2                    4.15367E-01       2.58231E-01
+     3                    4.38811E-01       1.78360E-01
+     4                   -6.03233E-02       1.44596E-01
+     5                   -1.32748E-01      -8.30658E-02
+     6                    7.92515E-02      -1.23210E-01
+     7                    1.46959E-01       9.69035E-02
+     8                   -8.27696E-02       2.19985E-01
+     9                   -2.20971E-01       9.42558E-04
+    10                   -2.11828E-02      -3.91532E-02
+6 0 ** L-Pro-D-Pro-reg
+     1                   -3.40143E+00      -3.68917E+00
+     2                   -1.79356E+00       1.27378E+00
+     3                    1.52538E+00       1.51128E-01
+     4                   -1.16399E-01      -9.80625E-01
+     5                   -5.43709E-01       4.32254E-01
+     6                    3.39955E-01       1.28204E-01
+6 0 ** L-Pro-D-Ala-reg
+     1                   -7.91570E-01       1.00745E+00
+     2                    2.89816E-03      -1.42421E-01
+     3                    2.00092E-01      -1.46860E-01
+     4                    4.75906E-02       1.23842E-01
+     5                   -2.88990E-02      -2.23460E-02
+     6                    8.92327E-03      -2.80002E-02
+10 0  ************  P-G
+     1                    2.12359E-02       4.05506E-02
+     2                   -1.19424E-01       2.91087E-01
+     3                    3.81770E-01      -1.11839E-01
+     4                   -9.75339E-02      -7.60089E-02
+     5                   -5.00214E-02       3.42037E-02
+     6                    8.12296E-02       3.98713E-02
+     7                   -1.21613E-02      -4.57682E-02
+     8                    6.95870E-03       2.28245E-02
+     9                    2.02598E-02      -2.00100E-02
+    10                   -1.48685E-02      -1.09627E-02
+10 0  ************  P-A
+     1                   -5.30371E-01      -3.79838E-03
+     2                    6.32663E-02      -1.09521E-01
+     3                    1.21519E-01       8.43223E-03
+     4                   -7.80575E-03       3.76829E-02
+     5                   -4.82717E-02      -4.37033E-02
+     6                   -1.47599E-02       9.06497E-02
+     7                    4.59200E-02       2.27528E-02
+     8                   -7.44594E-02       4.24939E-02
+     9                   -4.90352E-02      -2.08349E-02
+    10                   -8.46346E-02      -1.07298E-02
+10 0  ************  P-P
+     1                    4.23486E+00       7.87119E-01
+     2                    2.59217E+00      -3.33044E-01
+     3                    1.24864E+00      -4.98088E-01
+     4                    1.16294E-01      -1.79001E-01
+     5                   -9.55402E-01       1.83034E-01
+     6                   -1.87536E+00       2.47282E-01
+     7                   -2.44663E+00       5.47506E-01
+     8                   -2.27142E+00       8.14203E-01
+     9                   -1.33942E+00       7.88906E-01
+    10                   -4.40969E-01       2.69137E-01
+6 0 ** Gly-D-Pro-reg
+     1                   -1.02141E+00      -1.21787E+00
+     2                    2.66194E-03       1.01052E-02
+     3                    1.41880E-02      -1.29145E-02
+     4                   -5.54912E-02      -1.54449E-02
+     5                    2.72669E-02       4.68748E-02
+     6                    7.92569E-03      -3.12502E-02
+6 0 ** Gly-D-Ala-reg
+     1                    9.97046E-02       2.66476E-01
+     2                   -1.69687E-02      -4.91316E-02
+     3                    2.50219E-01      -6.24989E-02
+     4                   -1.52445E-01      -1.24202E-01
+     5                   -9.21242E-03      -9.52846E-04
+     6                    6.34622E-03      -4.58307E-03
+ 6 0  ************  G-G
+     1                    2.91221E-01       0.00000E+00
+     2                    1.97221E-01       0.00000E+00
+     3                    3.47215E-02       0.00000E+00
+     4                   -1.25868E-01       0.00000E+00
+     5                   -8.07275E-02       0.00000E+00
+     6                   -3.07820E-03       0.00000E+00
+ 6 0  ************  G-A
+     1                    1.37258E-01      -1.87823E-01
+     2                   -3.24314E-03      -1.14115E-01
+     3                    1.00886E-01       6.20938E-02
+     4                   -1.24448E-01       1.61747E-01
+     5                   -1.22389E-02       1.29629E-01
+     6                    1.18244E-02      -7.32819E-02
+10 0  ************  G-P
+     1                   -2.35280E-01       4.47825E-01
+     2                    2.25332E-01       4.39143E-01
+     3                    8.54137E-02      -3.13391E-02
+     4                    9.34821E-04      -5.34886E-03
+     5                    1.29469E-01       2.38018E-01
+     6                   -1.67401E-01       1.36767E-01
+     7                   -9.09952E-03      -1.50380E-01
+     8                    1.59178E-01       1.58505E-02
+     9                   -5.07021E-02       9.02235E-02
+    10                   -2.74002E-02       3.70860E-02
+6 0 ** L-Ala-D-Pro-reg
+     1                   -3.67336E+00       1.98471E+00
+     2                   -6.26727E-01      -8.14864E-02
+     3                    2.43704E-02      -1.02431E+00
+     4                    3.16312E-01       1.87132E-01
+     5                    2.66420E-01       1.43927E-01
+     6                   -2.65977E-01       5.94169E-02
+6 0 ** L-Ala-D-Ala-reg
+     1                   -7.75462E-01       4.16758E-01
+     2                    2.23510E-02       6.78839E-02
+     3                    2.54868E-01      -8.31567E-02
+     4                   -7.10523E-02      -1.74577E-01
+     5                    3.33282E-02       3.98392E-02
+     6                    1.56054E-04      -1.41661E-02
+ 6 0  ************  A-G
+     1                   -2.29844E-01       8.10157E-02
+     2                   -7.16965E-02       8.72173E-02
+     3                    3.14208E-01      -5.35383E-02
+     4                   -2.02452E-01      -6.71549E-02
+     5                    6.37359E-02      -3.21902E-02
+     6                    1.20409E-02      -4.77091E-02
+ 6 0  ************  A-A
+     1                    4.84934E-01       1.01827E-01
+     2                    2.02908E-01      -1.57752E-01
+     3                    1.83892E-01      -9.11332E-03
+     4                   -5.50573E-02       3.62865E-02
+     5                    2.01397E-02       1.58844E-02
+     6                    6.37922E-03       2.45381E-03
+10 0  ************  A-P
+     1                    1.05440E+00       1.99420E+00
+     2                    4.15367E-01       2.58231E-01
+     3                    4.38811E-01       1.78360E-01
+     4                   -6.03233E-02       1.44596E-01
+     5                   -1.32748E-01      -8.30658E-02
+     6                    7.92515E-02      -1.23210E-01
+     7                    1.46959E-01       9.69035E-02
+     8                   -8.27696E-02       2.19985E-01
+     9                   -2.20971E-01       9.42558E-04
+    10                   -2.11828E-02      -3.91532E-02
+6 0 ** L-Pro-D-Pro-reg
+     1                   -3.40143E+00      -3.68917E+00
+     2                   -1.79356E+00       1.27378E+00
+     3                    1.52538E+00       1.51128E-01
+     4                   -1.16399E-01      -9.80625E-01
+     5                   -5.43709E-01       4.32254E-01
+     6                    3.39955E-01       1.28204E-01
+6 0 ** L-Pro-D-Ala-reg
+     1                   -7.91570E-01       1.00745E+00
+     2                    2.89816E-03      -1.42421E-01
+     3                    2.00092E-01      -1.46860E-01
+     4                    4.75906E-02       1.23842E-01
+     5                   -2.88990E-02      -2.23460E-02
+     6                    8.92327E-03      -2.80002E-02
+10 0  ************  P-G
+     1                    2.12359E-02       4.05506E-02
+     2                   -1.19424E-01       2.91087E-01
+     3                    3.81770E-01      -1.11839E-01
+     4                   -9.75339E-02      -7.60089E-02
+     5                   -5.00214E-02       3.42037E-02
+     6                    8.12296E-02       3.98713E-02
+     7                   -1.21613E-02      -4.57682E-02
+     8                    6.95870E-03       2.28245E-02
+     9                    2.02598E-02      -2.00100E-02
+    10                   -1.48685E-02      -1.09627E-02
+10 0  ************  P-A
+     1                   -5.30371E-01      -3.79838E-03
+     2                    6.32663E-02      -1.09521E-01
+     3                    1.21519E-01       8.43223E-03
+     4                   -7.80575E-03       3.76829E-02
+     5                   -4.82717E-02      -4.37033E-02
+     6                   -1.47599E-02       9.06497E-02
+     7                    4.59200E-02       2.27528E-02
+     8                   -7.44594E-02       4.24939E-02
+     9                   -4.90352E-02      -2.08349E-02
+    10                   -8.46346E-02      -1.07298E-02
+10 0  ************  P-P
+     1                    4.23486E+00       7.87119E-01
+     2                    2.59217E+00      -3.33044E-01
+     3                    1.24864E+00      -4.98088E-01
+     4                    1.16294E-01      -1.79001E-01
+     5                   -9.55402E-01       1.83034E-01
+     6                   -1.87536E+00       2.47282E-01
+     7                   -2.44663E+00       5.47506E-01
+     8                   -2.27142E+00       8.14203E-01
+     9                   -1.33942E+00       7.88906E-01
+    10                   -4.40969E-01       2.69137E-01
diff --git a/PARAM/tor_opt_iter1_7p_old-ext.parm b/PARAM/tor_opt_iter1_7p_old-ext.parm
new file mode 100644 (file)
index 0000000..a108e2e
--- /dev/null
+++ b/PARAM/tor_opt_iter1_7p_old-ext.parm
@@ -0,0 +1,180 @@
+3  ***  Optimized torsional parameters 7p_wham_last  ***  
+1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 0
+ 0 0 ** Gly-D-Pro-reg
+ 0 0 ** Gly-D-Ala-reg
+ 6 0  ************  G-G
+     1                    3.89266E-01       0.00000E+00
+     2                    4.18662E-01       0.00000E+00
+     3                   -4.85875E-03       0.00000E+00
+     4                   -2.28912E-01       0.00000E+00
+     5                   -1.32435E-01       0.00000E+00
+     6                   -3.25567E-02       0.00000E+00
+ 6 0  ************  G-A
+     1                    4.48732E-01      -6.17446E-01
+     2                   -7.19420E-02      -2.81509E-01
+     3                    8.55553E-02       9.54595E-02
+     4                   -1.78171E-01       2.81875E-01
+     5                   -3.35660E-02       2.20930E-01
+     6                    7.48948E-02      -1.48385E-01
+10 0  ************  G-P
+     1                   -1.02764E+00       7.71574E-01
+     2                    6.60187E-01       4.73949E-01
+     3                    3.06766E-01       6.26077E-02
+     4                    1.12028E-01      -2.20307E-03
+     5                    1.41205E-01       4.63242E-01
+     6                   -2.32839E-01       2.16374E-01
+     7                    4.45175E-02      -2.13921E-01
+     8                    2.13415E-01       1.05584E-01
+     9                   -1.06794E-01       1.83807E-01
+    10                   -1.58917E-01      -4.77027E-02
+ 0 0 ****** Ala-D-Pro
+ 0 0 ****** Ala-D-Ala
+ 6 0  ************  A-G
+     1                   -5.35331E-01       3.07619E-01
+     2                   -4.40634E-03       2.42563E-01
+     3                    4.08626E-01      -1.26381E-01
+     4                   -3.75632E-01      -1.24731E-01
+     5                    1.54159E-01      -4.34413E-02
+     6                   -5.10726E-03      -8.98940E-02
+ 6 0  ************  A-A
+     1                    7.57412E-01       2.41619E-01
+     2                    3.16517E-01      -4.83719E-01
+     3                    2.94869E-01      -3.00853E-02
+     4                   -1.18430E-01       6.30789E-02
+     5                    1.39669E-02       6.86930E-02
+     6                    5.15960E-03       2.89140E-02
+10 0  ************  A-P
+     1                    1.24599E+00       3.28913E+00
+     2                    3.71946E-01       6.21240E-01
+     3                    1.72894E-01       5.10551E-01
+     4                   -4.30010E-01       1.34074E-01
+     5                   -1.04165E-01      -1.24492E-01
+     6                    1.84767E-01       1.76351E-01
+     7                    9.14037E-02       1.45966E-01
+     8                    2.88613E-01       2.65632E-01
+     9                   -5.37851E-02       5.01514E-01
+    10                   -2.33602E-01       1.43541E-01
+ 0 0 ** Pro-D-Por
+ 0 0 ** Pro-D-Ala
+10 0  ************  P-G
+     1                    2.12359E-02       4.05506E-02
+     2                   -1.19424E-01       2.91087E-01
+     3                    3.81770E-01      -1.11839E-01
+     4                   -9.75339E-02      -7.60089E-02
+     5                   -5.00214E-02       3.42037E-02
+     6                    8.12296E-02       3.98713E-02
+     7                   -1.21613E-02      -4.57682E-02
+     8                    6.95870E-03       2.28245E-02
+     9                    2.02598E-02      -2.00100E-02
+    10                   -1.48685E-02      -1.09627E-02
+10 0  ************  P-A
+     1                   -1.44568E+00       4.48810E-01
+     2                    2.44809E-01      -9.84525E-02
+     3                    7.10743E-02      -7.82747E-02
+     4                    6.10521E-02       1.26535E-01
+     5                   -1.06073E-01      -5.66209E-02
+     6                   -2.54567E-02       1.39995E-01
+     7                    8.12043E-02       4.96622E-02
+     8                   -1.02693E-01       2.65604E-02
+     9                   -4.64168E-02      -6.09468E-02
+    10                   -1.28754E-01      -4.35563E-02
+10 0  ************  P-P
+     1                    4.99994E+00       1.02894E+00
+     2                    3.01919E+00      -1.08282E+00
+     3                    1.44640E+00      -1.36232E+00
+     4                    1.53375E-01      -8.06450E-01
+     5                   -1.13926E+00      -2.92452E-01
+     6                   -2.18888E+00      -1.79960E-01
+     7                   -2.71687E+00       2.89616E-01
+     8                   -2.52591E+00       9.09040E-01
+     9                   -1.45928E+00       1.12958E+00
+    10                   -4.89916E-01       3.69826E-01
+ 0 0 ** Gly-D-Pro-reg
+ 0 0 ** Gly-D-Ala-reg
+ 6 0  ************  G-G
+     1                    3.89266E-01       0.00000E+00
+     2                    4.18662E-01       0.00000E+00
+     3                   -4.85875E-03       0.00000E+00
+     4                   -2.28912E-01       0.00000E+00
+     5                   -1.32435E-01       0.00000E+00
+     6                   -3.25567E-02       0.00000E+00
+ 6 0  ************  G-A
+     1                    4.48732E-01      -6.17446E-01
+     2                   -7.19420E-02      -2.81509E-01
+     3                    8.55553E-02       9.54595E-02
+     4                   -1.78171E-01       2.81875E-01
+     5                   -3.35660E-02       2.20930E-01
+     6                    7.48948E-02      -1.48385E-01
+10 0  ************  G-P
+     1                   -1.02764E+00       7.71574E-01
+     2                    6.60187E-01       4.73949E-01
+     3                    3.06766E-01       6.26077E-02
+     4                    1.12028E-01      -2.20307E-03
+     5                    1.41205E-01       4.63242E-01
+     6                   -2.32839E-01       2.16374E-01
+     7                    4.45175E-02      -2.13921E-01
+     8                    2.13415E-01       1.05584E-01
+     9                   -1.06794E-01       1.83807E-01
+    10                   -1.58917E-01      -4.77027E-02
+ 0 0 ****** Ala-D-Pro
+ 0 0 ****** Ala-D-Ala
+ 6 0  ************  A-G
+     1                   -5.35331E-01       3.07619E-01
+     2                   -4.40634E-03       2.42563E-01
+     3                    4.08626E-01      -1.26381E-01
+     4                   -3.75632E-01      -1.24731E-01
+     5                    1.54159E-01      -4.34413E-02
+     6                   -5.10726E-03      -8.98940E-02
+ 6 0  ************  A-A
+     1                    7.57412E-01       2.41619E-01
+     2                    3.16517E-01      -4.83719E-01
+     3                    2.94869E-01      -3.00853E-02
+     4                   -1.18430E-01       6.30789E-02
+     5                    1.39669E-02       6.86930E-02
+     6                    5.15960E-03       2.89140E-02
+10 0  ************  A-P
+     1                    1.24599E+00       3.28913E+00
+     2                    3.71946E-01       6.21240E-01
+     3                    1.72894E-01       5.10551E-01
+     4                   -4.30010E-01       1.34074E-01
+     5                   -1.04165E-01      -1.24492E-01
+     6                    1.84767E-01       1.76351E-01
+     7                    9.14037E-02       1.45966E-01
+     8                    2.88613E-01       2.65632E-01
+     9                   -5.37851E-02       5.01514E-01
+    10                   -2.33602E-01       1.43541E-01
+ 0 0 ** Pro-D-Por
+ 0 0 ** Pro-D-Ala
+10 0  ************  P-G
+     1                    2.12359E-02       4.05506E-02
+     2                   -1.19424E-01       2.91087E-01
+     3                    3.81770E-01      -1.11839E-01
+     4                   -9.75339E-02      -7.60089E-02
+     5                   -5.00214E-02       3.42037E-02
+     6                    8.12296E-02       3.98713E-02
+     7                   -1.21613E-02      -4.57682E-02
+     8                    6.95870E-03       2.28245E-02
+     9                    2.02598E-02      -2.00100E-02
+    10                   -1.48685E-02      -1.09627E-02
+10 0  ************  P-A
+     1                   -1.44568E+00       4.48810E-01
+     2                    2.44809E-01      -9.84525E-02
+     3                    7.10743E-02      -7.82747E-02
+     4                    6.10521E-02       1.26535E-01
+     5                   -1.06073E-01      -5.66209E-02
+     6                   -2.54567E-02       1.39995E-01
+     7                    8.12043E-02       4.96622E-02
+     8                   -1.02693E-01       2.65604E-02
+     9                   -4.64168E-02      -6.09468E-02
+    10                   -1.28754E-01      -4.35563E-02
+10 0  ************  P-P
+     1                    4.99994E+00       1.02894E+00
+     2                    3.01919E+00      -1.08282E+00
+     3                    1.44640E+00      -1.36232E+00
+     4                    1.53375E-01      -8.06450E-01
+     5                   -1.13926E+00      -2.92452E-01
+     6                   -2.18888E+00      -1.79960E-01
+     7                   -2.71687E+00       2.89616E-01
+     8                   -2.52591E+00       9.09040E-01
+     9                   -1.45928E+00       1.12958E+00
+    10                   -4.89916E-01       3.69826E-01
diff --git a/PARAM/tor_opt_iter1_7p_old.parm b/PARAM/tor_opt_iter1_7p_old.parm
new file mode 100644 (file)
index 0000000..a6d781e
--- /dev/null
+++ b/PARAM/tor_opt_iter1_7p_old.parm
@@ -0,0 +1,85 @@
+3  ***  Optimized torsional parameters 7p_wham_last  ***  
+ 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3
+ 6 0  ************  G-G
+     1                    3.89266E-01       0.00000E+00
+     2                    4.18662E-01       0.00000E+00
+     3                   -4.85875E-03       0.00000E+00
+     4                   -2.28912E-01       0.00000E+00
+     5                   -1.32435E-01       0.00000E+00
+     6                   -3.25567E-02       0.00000E+00
+ 6 0  ************  G-A
+     1                    4.48732E-01      -6.17446E-01
+     2                   -7.19420E-02      -2.81509E-01
+     3                    8.55553E-02       9.54595E-02
+     4                   -1.78171E-01       2.81875E-01
+     5                   -3.35660E-02       2.20930E-01
+     6                    7.48948E-02      -1.48385E-01
+10 0  ************  G-P
+     1                   -1.02764E+00       7.71574E-01
+     2                    6.60187E-01       4.73949E-01
+     3                    3.06766E-01       6.26077E-02
+     4                    1.12028E-01      -2.20307E-03
+     5                    1.41205E-01       4.63242E-01
+     6                   -2.32839E-01       2.16374E-01
+     7                    4.45175E-02      -2.13921E-01
+     8                    2.13415E-01       1.05584E-01
+     9                   -1.06794E-01       1.83807E-01
+    10                   -1.58917E-01      -4.77027E-02
+ 6 0  ************  A-G
+     1                   -5.35331E-01       3.07619E-01
+     2                   -4.40634E-03       2.42563E-01
+     3                    4.08626E-01      -1.26381E-01
+     4                   -3.75632E-01      -1.24731E-01
+     5                    1.54159E-01      -4.34413E-02
+     6                   -5.10726E-03      -8.98940E-02
+ 6 0  ************  A-A
+     1                    7.57412E-01       2.41619E-01
+     2                    3.16517E-01      -4.83719E-01
+     3                    2.94869E-01      -3.00853E-02
+     4                   -1.18430E-01       6.30789E-02
+     5                    1.39669E-02       6.86930E-02
+     6                    5.15960E-03       2.89140E-02
+10 0  ************  A-P
+     1                    1.24599E+00       3.28913E+00
+     2                    3.71946E-01       6.21240E-01
+     3                    1.72894E-01       5.10551E-01
+     4                   -4.30010E-01       1.34074E-01
+     5                   -1.04165E-01      -1.24492E-01
+     6                    1.84767E-01       1.76351E-01
+     7                    9.14037E-02       1.45966E-01
+     8                    2.88613E-01       2.65632E-01
+     9                   -5.37851E-02       5.01514E-01
+    10                   -2.33602E-01       1.43541E-01
+10 0  ************  P-G
+     1                    2.12359E-02       4.05506E-02
+     2                   -1.19424E-01       2.91087E-01
+     3                    3.81770E-01      -1.11839E-01
+     4                   -9.75339E-02      -7.60089E-02
+     5                   -5.00214E-02       3.42037E-02
+     6                    8.12296E-02       3.98713E-02
+     7                   -1.21613E-02      -4.57682E-02
+     8                    6.95870E-03       2.28245E-02
+     9                    2.02598E-02      -2.00100E-02
+    10                   -1.48685E-02      -1.09627E-02
+10 0  ************  P-A
+     1                   -1.44568E+00       4.48810E-01
+     2                    2.44809E-01      -9.84525E-02
+     3                    7.10743E-02      -7.82747E-02
+     4                    6.10521E-02       1.26535E-01
+     5                   -1.06073E-01      -5.66209E-02
+     6                   -2.54567E-02       1.39995E-01
+     7                    8.12043E-02       4.96622E-02
+     8                   -1.02693E-01       2.65604E-02
+     9                   -4.64168E-02      -6.09468E-02
+    10                   -1.28754E-01      -4.35563E-02
+10 0  ************  P-P
+     1                    4.99994E+00       1.02894E+00
+     2                    3.01919E+00      -1.08282E+00
+     3                    1.44640E+00      -1.36232E+00
+     4                    1.53375E-01      -8.06450E-01
+     5                   -1.13926E+00      -2.92452E-01
+     6                   -2.18888E+00      -1.79960E-01
+     7                   -2.71687E+00       2.89616E-01
+     8                   -2.52591E+00       9.09040E-01
+     9                   -1.45928E+00       1.12958E+00
+    10                   -4.89916E-01       3.69826E-01
diff --git a/PARAM/torsion_631Gdp_old.parm b/PARAM/torsion_631Gdp_old.parm
new file mode 100644 (file)
index 0000000..faa8083
--- /dev/null
+++ b/PARAM/torsion_631Gdp_old.parm
@@ -0,0 +1,180 @@
+3  *** Parameters derived by integrating MP2/6-31G** local energy surfaces ***
+1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2
+ 0 0 ** Gly-D-Pro-reg
+ 0 0 ** Gly-D-Ala-reg
+ 6 0 ************ G-G
+     1                    4.03053E-03       0.0
+     2                   -4.90330E-03       0.0
+     3                    2.70952E-01       0.0
+     4                   -7.20927E-02       0.0
+     5                   -3.66258E-03       0.0
+     6                   -6.34294E-03       0.0
+ 6 0 ************ G-A
+     1                    1.27465E-02      -1.01763E-01
+     2                   -8.41985E-03       1.18716E-02
+     3                    2.50582E-01       3.30235E-02
+     4                   -1.02631E-01       1.46337E-01
+     5                    6.63161E-03       8.86275E-03
+     6                   -6.81049E-03       8.71641E-03
+10 0 ************ G-P
+     1                   -1.14953E+00       1.29720E+00
+     2                   -1.08859E-03      -1.20321E-02
+     3                    4.04229E-01       2.92750E-01
+     4                   -2.41994E-01       5.38295E-02
+     5                    4.31804E-02      -6.56306E-02
+     6                    4.29080E-02       1.38685E-01
+     7                   -6.31286E-02      -2.65338E-02
+     8                    1.46743E-02      -3.26658E-03
+     9                   -1.33460E-02       3.01470E-02
+     0                   -1.11258E-02      -3.15723E-02
+ 0 0 ****** Ala-D-Pro
+ 0 0 ****** Ala-D-Ala
+ 6 0 ************ A-G
+     1                    5.14830E-03       9.48478E-02
+     2                   -8.85552E-02       1.20661E-01
+     3                    2.65903E-01      -8.99192E-02
+     4                   -6.16552E-02      -6.07952E-02
+     5                    2.19209E-02      -3.09487E-02
+     6                   -1.58136E-02      -1.74252E-02
+ 6 0 ************ A-A
+     1                    1.05084E+00      -1.83406E-03
+     2                    2.56198E-01       3.75825E-02
+     3                    2.97224E-01      -6.65886E-03
+     4                   -9.30144E-02       2.78499E-02
+     5                    2.69127E-02      -2.79813E-03
+     6                   -5.69348E-03      -5.76679E-03
+10 0 ************ A-P
+     1                    1.97348E+00       3.61809E+00
+     2                    3.25172E-01       6.93324E-01
+     3                    7.44811E-01       2.28853E-01
+     4                   -1.11515E-02       4.21766E-01
+     5                   -1.09160E-01       4.09945E-02
+     6                    1.08618E-01       6.71048E-03
+     7                    1.21785E-02       9.37813E-02
+     8                   -2.77282E-02       2.84981E-02
+     9                    2.15879E-02       1.85528E-02
+     0                   -8.56980E-03       3.92482E-02
+ 0 0 ** Pro-D-Por
+ 0 0 ** Pro-D-Ala
+10 0 ************ P-G
+     1                    2.12359E-02       4.05506E-02
+     2                   -1.19424E-01       2.91087E-01
+     3                    3.81770E-01      -1.11839E-01
+     4                   -9.75339E-02      -7.60089E-02
+     5                   -5.00214E-02       3.42037E-02
+     6                    8.12296E-02       3.98713E-02
+     7                   -1.21613E-02      -4.57682E-02
+     8                    6.95870E-03       2.28245E-02
+     9                    2.02598E-02      -2.00100E-02
+     0                   -1.48685E-02      -1.09627E-02
+10 0 ************ P-A
+     1                    1.40539E+00      -7.42879E-01
+     2                    9.21075E-02      -1.17205E-01
+     3                    4.49479E-01       3.82888E-02
+     4                    8.11975E-02      -3.35594E-02
+     5                   -9.88964E-03      -4.63759E-02
+     6                    8.58396E-02       4.22362E-02
+     7                    2.73049E-02      -5.43392E-02
+     8                   -4.18620E-03      -1.04889E-02
+     9                    1.06804E-02      -7.89066E-03
+     0                   -5.01879E-03      -1.20569E-02
+10 0 ************ P-P
+     1                    4.23219E+00       1.42318E+00
+     2                    1.24967E+00      -2.32575E-01
+     3                    5.38690E-01      -4.25507E-01
+     4                    4.01096E-01      -6.42186E-01
+     5                    2.52852E-01      -2.32257E-01
+     6                   -3.06406E-02      -2.48617E-01
+     7                   -1.68086E-02      -1.55069E-01
+     8                   -9.68421E-02      -1.80718E-01
+     9                   -2.73541E-02      -1.36915E-01
+     0                   -6.08829E-02      -6.71426E-02
+ 0 0 ** Gly-D-Pro-reg
+ 0 0 ** Gly-D-Ala-reg
+ 6 0 ************ G-G
+     1                    4.03053E-03       0.0
+     2                   -4.90330E-03       0.0
+     3                    2.70952E-01       0.0
+     4                   -7.20927E-02       0.0
+     5                   -3.66258E-03       0.0
+     6                   -6.34294E-03       0.0
+ 6 0 ************ G-A
+     1                    1.27465E-02      -1.01763E-01
+     2                   -8.41985E-03       1.18716E-02
+     3                    2.50582E-01       3.30235E-02
+     4                   -1.02631E-01       1.46337E-01
+     5                    6.63161E-03       8.86275E-03
+     6                   -6.81049E-03       8.71641E-03
+10 0 ************ G-P
+     1                   -1.14953E+00       1.29720E+00
+     2                   -1.08859E-03      -1.20321E-02
+     3                    4.04229E-01       2.92750E-01
+     4                   -2.41994E-01       5.38295E-02
+     5                    4.31804E-02      -6.56306E-02
+     6                    4.29080E-02       1.38685E-01
+     7                   -6.31286E-02      -2.65338E-02
+     8                    1.46743E-02      -3.26658E-03
+     9                   -1.33460E-02       3.01470E-02
+     0                   -1.11258E-02      -3.15723E-02
+ 0 0 ****** Ala-D-Pro
+ 0 0 ****** Ala-D-Ala
+ 6 0 ************ A-G
+     1                    5.14830E-03       9.48478E-02
+     2                   -8.85552E-02       1.20661E-01
+     3                    2.65903E-01      -8.99192E-02
+     4                   -6.16552E-02      -6.07952E-02
+     5                    2.19209E-02      -3.09487E-02
+     6                   -1.58136E-02      -1.74252E-02
+ 6 0 ************ A-A
+     1                    1.05084E+00      -1.83406E-03
+     2                    2.56198E-01       3.75825E-02
+     3                    2.97224E-01      -6.65886E-03
+     4                   -9.30144E-02       2.78499E-02
+     5                    2.69127E-02      -2.79813E-03
+     6                   -5.69348E-03      -5.76679E-03
+10 0 ************ A-P
+     1                    1.97348E+00       3.61809E+00
+     2                    3.25172E-01       6.93324E-01
+     3                    7.44811E-01       2.28853E-01
+     4                   -1.11515E-02       4.21766E-01
+     5                   -1.09160E-01       4.09945E-02
+     6                    1.08618E-01       6.71048E-03
+     7                    1.21785E-02       9.37813E-02
+     8                   -2.77282E-02       2.84981E-02
+     9                    2.15879E-02       1.85528E-02
+     0                   -8.56980E-03       3.92482E-02
+ 0 0 ** Pro-D-Por
+ 0 0 ** Pro-D-Ala
+10 0 ************ P-G
+     1                    2.12359E-02       4.05506E-02
+     2                   -1.19424E-01       2.91087E-01
+     3                    3.81770E-01      -1.11839E-01
+     4                   -9.75339E-02      -7.60089E-02
+     5                   -5.00214E-02       3.42037E-02
+     6                    8.12296E-02       3.98713E-02
+     7                   -1.21613E-02      -4.57682E-02
+     8                    6.95870E-03       2.28245E-02
+     9                    2.02598E-02      -2.00100E-02
+     0                   -1.48685E-02      -1.09627E-02
+10 0 ************ P-A
+     1                    1.40539E+00      -7.42879E-01
+     2                    9.21075E-02      -1.17205E-01
+     3                    4.49479E-01       3.82888E-02
+     4                    8.11975E-02      -3.35594E-02
+     5                   -9.88964E-03      -4.63759E-02
+     6                    8.58396E-02       4.22362E-02
+     7                    2.73049E-02      -5.43392E-02
+     8                   -4.18620E-03      -1.04889E-02
+     9                    1.06804E-02      -7.89066E-03
+     0                   -5.01879E-03      -1.20569E-02
+10 0 ************ P-P
+     1                    4.23219E+00       1.42318E+00
+     2                    1.24967E+00      -2.32575E-01
+     3                    5.38690E-01      -4.25507E-01
+     4                    4.01096E-01      -6.42186E-01
+     5                    2.52852E-01      -2.32257E-01
+     6                   -3.06406E-02      -2.48617E-01
+     7                   -1.68086E-02      -1.55069E-01
+     8                   -9.68421E-02      -1.80718E-01
+     9                   -2.73541E-02      -1.36915E-01
+     0                   -6.08829E-02      -6.71426E-02
diff --git a/PARAM/torsion_631Gdp_old_ext.parm b/PARAM/torsion_631Gdp_old_ext.parm
new file mode 100644 (file)
index 0000000..09d5df7
--- /dev/null
+++ b/PARAM/torsion_631Gdp_old_ext.parm
@@ -0,0 +1,180 @@
+3  *** Parameters derived by integrating MP2/6-31G** local energy surfaces ***
+1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 0
+ 0 0 ** Gly-D-Pro-reg
+ 0 0 ** Gly-D-Ala-reg
+ 6 0 ************ G-G
+     1                    4.03053E-03       0.0
+     2                   -4.90330E-03       0.0
+     3                    2.70952E-01       0.0
+     4                   -7.20927E-02       0.0
+     5                   -3.66258E-03       0.0
+     6                   -6.34294E-03       0.0
+ 6 0 ************ G-A
+     1                    1.27465E-02      -1.01763E-01
+     2                   -8.41985E-03       1.18716E-02
+     3                    2.50582E-01       3.30235E-02
+     4                   -1.02631E-01       1.46337E-01
+     5                    6.63161E-03       8.86275E-03
+     6                   -6.81049E-03       8.71641E-03
+10 0 ************ G-P
+     1                   -1.14953E+00       1.29720E+00
+     2                   -1.08859E-03      -1.20321E-02
+     3                    4.04229E-01       2.92750E-01
+     4                   -2.41994E-01       5.38295E-02
+     5                    4.31804E-02      -6.56306E-02
+     6                    4.29080E-02       1.38685E-01
+     7                   -6.31286E-02      -2.65338E-02
+     8                    1.46743E-02      -3.26658E-03
+     9                   -1.33460E-02       3.01470E-02
+     0                   -1.11258E-02      -3.15723E-02
+ 0 0 ****** Ala-D-Pro
+ 0 0 ****** Ala-D-Ala
+ 6 0 ************ A-G
+     1                    5.14830E-03       9.48478E-02
+     2                   -8.85552E-02       1.20661E-01
+     3                    2.65903E-01      -8.99192E-02
+     4                   -6.16552E-02      -6.07952E-02
+     5                    2.19209E-02      -3.09487E-02
+     6                   -1.58136E-02      -1.74252E-02
+ 6 0 ************ A-A
+     1                    1.05084E+00      -1.83406E-03
+     2                    2.56198E-01       3.75825E-02
+     3                    2.97224E-01      -6.65886E-03
+     4                   -9.30144E-02       2.78499E-02
+     5                    2.69127E-02      -2.79813E-03
+     6                   -5.69348E-03      -5.76679E-03
+10 0 ************ A-P
+     1                    1.97348E+00       3.61809E+00
+     2                    3.25172E-01       6.93324E-01
+     3                    7.44811E-01       2.28853E-01
+     4                   -1.11515E-02       4.21766E-01
+     5                   -1.09160E-01       4.09945E-02
+     6                    1.08618E-01       6.71048E-03
+     7                    1.21785E-02       9.37813E-02
+     8                   -2.77282E-02       2.84981E-02
+     9                    2.15879E-02       1.85528E-02
+     0                   -8.56980E-03       3.92482E-02
+ 0 0 ** Pro-D-Por
+ 0 0 ** Pro-D-Ala
+10 0 ************ P-G
+     1                    2.12359E-02       4.05506E-02
+     2                   -1.19424E-01       2.91087E-01
+     3                    3.81770E-01      -1.11839E-01
+     4                   -9.75339E-02      -7.60089E-02
+     5                   -5.00214E-02       3.42037E-02
+     6                    8.12296E-02       3.98713E-02
+     7                   -1.21613E-02      -4.57682E-02
+     8                    6.95870E-03       2.28245E-02
+     9                    2.02598E-02      -2.00100E-02
+     0                   -1.48685E-02      -1.09627E-02
+10 0 ************ P-A
+     1                    1.40539E+00      -7.42879E-01
+     2                    9.21075E-02      -1.17205E-01
+     3                    4.49479E-01       3.82888E-02
+     4                    8.11975E-02      -3.35594E-02
+     5                   -9.88964E-03      -4.63759E-02
+     6                    8.58396E-02       4.22362E-02
+     7                    2.73049E-02      -5.43392E-02
+     8                   -4.18620E-03      -1.04889E-02
+     9                    1.06804E-02      -7.89066E-03
+     0                   -5.01879E-03      -1.20569E-02
+10 0 ************ P-P
+     1                    4.23219E+00       1.42318E+00
+     2                    1.24967E+00      -2.32575E-01
+     3                    5.38690E-01      -4.25507E-01
+     4                    4.01096E-01      -6.42186E-01
+     5                    2.52852E-01      -2.32257E-01
+     6                   -3.06406E-02      -2.48617E-01
+     7                   -1.68086E-02      -1.55069E-01
+     8                   -9.68421E-02      -1.80718E-01
+     9                   -2.73541E-02      -1.36915E-01
+     0                   -6.08829E-02      -6.71426E-02
+ 0 0 ** Gly-D-Pro-reg
+ 0 0 ** Gly-D-Ala-reg
+ 6 0 ************ G-G
+     1                    4.03053E-03       0.0
+     2                   -4.90330E-03       0.0
+     3                    2.70952E-01       0.0
+     4                   -7.20927E-02       0.0
+     5                   -3.66258E-03       0.0
+     6                   -6.34294E-03       0.0
+ 6 0 ************ G-A
+     1                    1.27465E-02      -1.01763E-01
+     2                   -8.41985E-03       1.18716E-02
+     3                    2.50582E-01       3.30235E-02
+     4                   -1.02631E-01       1.46337E-01
+     5                    6.63161E-03       8.86275E-03
+     6                   -6.81049E-03       8.71641E-03
+10 0 ************ G-P
+     1                   -1.14953E+00       1.29720E+00
+     2                   -1.08859E-03      -1.20321E-02
+     3                    4.04229E-01       2.92750E-01
+     4                   -2.41994E-01       5.38295E-02
+     5                    4.31804E-02      -6.56306E-02
+     6                    4.29080E-02       1.38685E-01
+     7                   -6.31286E-02      -2.65338E-02
+     8                    1.46743E-02      -3.26658E-03
+     9                   -1.33460E-02       3.01470E-02
+     0                   -1.11258E-02      -3.15723E-02
+ 0 0 ****** Ala-D-Pro
+ 0 0 ****** Ala-D-Ala
+ 6 0 ************ A-G
+     1                    5.14830E-03       9.48478E-02
+     2                   -8.85552E-02       1.20661E-01
+     3                    2.65903E-01      -8.99192E-02
+     4                   -6.16552E-02      -6.07952E-02
+     5                    2.19209E-02      -3.09487E-02
+     6                   -1.58136E-02      -1.74252E-02
+ 6 0 ************ A-A
+     1                    1.05084E+00      -1.83406E-03
+     2                    2.56198E-01       3.75825E-02
+     3                    2.97224E-01      -6.65886E-03
+     4                   -9.30144E-02       2.78499E-02
+     5                    2.69127E-02      -2.79813E-03
+     6                   -5.69348E-03      -5.76679E-03
+10 0 ************ A-P
+     1                    1.97348E+00       3.61809E+00
+     2                    3.25172E-01       6.93324E-01
+     3                    7.44811E-01       2.28853E-01
+     4                   -1.11515E-02       4.21766E-01
+     5                   -1.09160E-01       4.09945E-02
+     6                    1.08618E-01       6.71048E-03
+     7                    1.21785E-02       9.37813E-02
+     8                   -2.77282E-02       2.84981E-02
+     9                    2.15879E-02       1.85528E-02
+     0                   -8.56980E-03       3.92482E-02
+ 0 0 ** Pro-D-Por
+ 0 0 ** Pro-D-Ala
+10 0 ************ P-G
+     1                    2.12359E-02       4.05506E-02
+     2                   -1.19424E-01       2.91087E-01
+     3                    3.81770E-01      -1.11839E-01
+     4                   -9.75339E-02      -7.60089E-02
+     5                   -5.00214E-02       3.42037E-02
+     6                    8.12296E-02       3.98713E-02
+     7                   -1.21613E-02      -4.57682E-02
+     8                    6.95870E-03       2.28245E-02
+     9                    2.02598E-02      -2.00100E-02
+     0                   -1.48685E-02      -1.09627E-02
+10 0 ************ P-A
+     1                    1.40539E+00      -7.42879E-01
+     2                    9.21075E-02      -1.17205E-01
+     3                    4.49479E-01       3.82888E-02
+     4                    8.11975E-02      -3.35594E-02
+     5                   -9.88964E-03      -4.63759E-02
+     6                    8.58396E-02       4.22362E-02
+     7                    2.73049E-02      -5.43392E-02
+     8                   -4.18620E-03      -1.04889E-02
+     9                    1.06804E-02      -7.89066E-03
+     0                   -5.01879E-03      -1.20569E-02
+10 0 ************ P-P
+     1                    4.23219E+00       1.42318E+00
+     2                    1.24967E+00      -2.32575E-01
+     3                    5.38690E-01      -4.25507E-01
+     4                    4.01096E-01      -6.42186E-01
+     5                    2.52852E-01      -2.32257E-01
+     6                   -3.06406E-02      -2.48617E-01
+     7                   -1.68086E-02      -1.55069E-01
+     8                   -9.68421E-02      -1.80718E-01
+     9                   -2.73541E-02      -1.36915E-01
+     0                   -6.08829E-02      -6.71426E-02
diff --git a/PARAM/torsion_double_631Gdp_old.parm b/PARAM/torsion_double_631Gdp_old.parm
new file mode 100644 (file)
index 0000000..9eb0747
--- /dev/null
+++ b/PARAM/torsion_double_631Gdp_old.parm
@@ -0,0 +1,5317 @@
+Gpp
+0 0
+ 0 0
+ 0 0
+ 0 0
+ 0 0 
+ 0 0
+Gpa
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+ 0 0
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+ 0 0
+GpG
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+ 0 0 
+ 0 0
+GGa
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+ 0 0
+ 0 0
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+ 0 0 
+ 0 0
+GGG_abinitio.fitout
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+-4.46036E-03
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diff --git a/PARAM/torsion_double_631Gdp_old_ext.parm b/PARAM/torsion_double_631Gdp_old_ext.parm
new file mode 100644 (file)
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diff --git a/PARAM/ttt b/PARAM/ttt
new file mode 100644 (file)
index 0000000..4383966
--- /dev/null
+++ b/PARAM/ttt
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+   3.226230       4.013942       2.310756       2.310756    
+  
+   2.378400       3.421196       3.210309       1.725618    
+   1.279938       2.484436       2.197739       2.983282    
+   2.749629       2.996964       2.764467       3.015792    
+   3.453165       2.985354       2.314748       2.900988    
+   3.609290       2.077805       2.077805    
+  
+   4.921200       4.617850       2.482205       1.841120    
+   3.573723       3.161325       4.291286       3.955188    
+   4.310965       3.976531       4.338049       4.967185    
+   4.294266       3.329637       4.172909       5.191762    
+   2.988806       2.988806    
+  
+   4.333200       2.329199       1.727631       3.353434    
+   2.966456       4.026765       3.711385       4.045231    
+   3.731412       4.070646       4.661001       4.029562    
+   3.124393       3.915686       4.871735       2.804572
+   2.804572    
+  
+   1.252000      0.9286429       1.802551       1.594541    
+   2.164482       1.994958       2.174409       2.005723    
+   2.188069       2.505400       2.165986       1.679436    
+   2.104775       2.618674       1.507524       1.507524    
+  
+  0.6888000       1.337002       1.182715       1.605456    
+   1.479715       1.612819       1.487700       1.622951    
+   1.858324       1.606571       1.245684       1.561169    
+   1.942343       1.118173       1.118173    
+  
+   2.595200       2.295720       3.116286       2.872216    
+   3.130577       2.887715       3.150245       3.607117    
+   3.118450       2.417947       3.030323       3.770203    
+   2.170439       2.170439    
+  
+   2.030800       2.756675       2.540769       2.769316    
+   2.554480       2.786715       3.190865       2.758589    
+   2.138922       2.680631       3.335131       1.919976    
+   1.919976    
+  
+   3.742000       3.448923       3.759161       3.467535    
+   3.782778       4.331384       3.744599       2.903442    
+   3.638776       4.527216       2.606238       2.606238    
+  
+   3.178800       3.464740       3.195954       3.486507    
+   3.992146       3.451319       2.676042       3.353784    
+   4.172640       2.402115       2.402115    
+
+   -7.2938        -4.0239         3.800125       5.9101
+   3.8743         2.916757       3.655463       4.547977
+   2.618191       2.618191
+
+  -3.0057         3.505321       6.0636         3.5303
+   2.690483       3.371882       4.195157       2.415078
+   2.415078
+
+   3.824000       4.378585       3.785405       2.935082
+   3.678429       4.576550       2.634640       2.634640
+
+  -0.1779        -3.4493         3.360749       4.211903
+   5.240276       3.016734       3.016734
+
+  -6.5557         2.905459       3.641304       4.530360
+   2.608049       2.608049
+
+   2.252800       2.823350       3.512697       2.022197
+   2.022197
+
+   3.538400       4.402332       2.534345       2.534345
+
+   5.477200       3.153127       3.153127
+
+   1.815200       1.815200
+
+   1.815200
+ 
diff --git a/PARAM/tube.parm b/PARAM/tube.parm
new file mode 100644 (file)
index 0000000..182c68f
--- /dev/null
+++ b/PARAM/tube.parm
@@ -0,0 +1,26 @@
+   200.00 2.20 3.0
+   1.00 0.50 3.0
+   1.00 0.20 3.0
+   1.00 0.30 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   200.00 2.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+   1.00 1.00 3.0
+
diff --git a/PARAM/weights_opt_FF2.parm b/PARAM/weights_opt_FF2.parm
new file mode 100644 (file)
index 0000000..8a5b27e
--- /dev/null
+++ b/PARAM/weights_opt_FF2.parm
@@ -0,0 +1,4 @@
+WSC=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954              &
+WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
+WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
+WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.250 CUTOFF=7.00000 WCORR4=0.00000
diff --git a/PARAM/weights_opt_iter0_7p_old-ext.parm b/PARAM/weights_opt_iter0_7p_old-ext.parm
new file mode 100644 (file)
index 0000000..f2f2e07
--- /dev/null
+++ b/PARAM/weights_opt_iter0_7p_old-ext.parm
@@ -0,0 +1,5 @@
+WSC=0.83811 WSCP=1.03892 WELEC=0.82649 WBOND=1.00000 WANG=0.49356              &
+WSCLOC=0.08617 WTOR=1.45070 WTORD=0.73040 WCORRH=0.00000 WCORR5=0.00000        &
+WCORR6=0.00000 WEL_LOC=0.41110 WTURN3=1.71795 WTURN4=0.51961 WTURN6=0.00000    &
+WSCCOR=0.17069 WVDWPP=0.18517 WSTRAIN=0.00100 WSCP14=0.00000                   &
+CUTOFF=7.00000 WCORR4=0.00000
diff --git a/PARAM/weights_opt_iter1_7p_old-ext.parm b/PARAM/weights_opt_iter1_7p_old-ext.parm
new file mode 100644 (file)
index 0000000..cbbcd17
--- /dev/null
+++ b/PARAM/weights_opt_iter1_7p_old-ext.parm
@@ -0,0 +1,5 @@
+WSC=0.82686 WSCP=0.96947 WELEC=0.79373 WBOND=1.00000 WANG=0.46542              &
+WSCLOC=0.07969 WTOR=0.81684 WTORD=0.67806 WCORRH=0.00000 WCORR5=0.00000        &
+WCORR6=0.00000 WEL_LOC=0.71100 WTURN3=2.30298 WTURN4=0.86517 WTURN6=0.00000    &
+WSCCOR=0.14577 WVDWPP=0.17781 WHPB=1.00000 WSCP14=0.00000                      &
+CUTOFF=7.00000 WCORR4=0.00000
UNRESPACK 3.x