0
- jlee = 1 nbank = 200 nstep = 34969 341.50604
- # 1 total E -1.82018E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 47.733 148.035 -27.912
- 91.900 78.475 130.607 -1.799
- 92.384 48.696 98.635 -88.084
- 91.784 42.768 150.618 -98.905
- 90.984 44.497 123.022-116.477
- 91.817 44.730 125.343 88.295
- 91.293 52.993 132.187-127.699
- 92.064 51.450 141.785-125.617
- 93.493 100.330 153.450 -6.155
- 130.641 -13.823 0.000 0.000
- 125.465 -70.396 0.000 0.000
- 110.542 -51.643 96.244 -85.188
- 89.809 76.779 114.372 -75.850
- 90.750 2.172 113.808 -76.932
- 101.602 -73.239 0.000 0.000
- 128.944 -44.667 122.048-143.383
- 120.811-145.803 110.806-112.920
- 119.313-108.264 112.630-113.385
- 117.518-116.226 125.434-133.727
- 121.728 0.000 121.559 -80.521
- # 2 total E -1.68517E+02 rmsd from N 0.000 %NC 0.00 0
- 93.660 90.956 149.909 -16.353
- 92.552 130.081 144.192 -38.687
- 132.036 -91.216 95.017 -99.418
- 92.659 52.552 141.698 -90.421
- 91.009 43.457 117.174 -68.227
- 91.654 48.786 125.603 -35.917
- 91.398 45.495 151.024-125.037
- 92.389 70.082 139.091-132.800
- 92.863 -34.336 137.176-125.206
- 120.338-132.175 0.000 0.000
- 94.599 70.581 0.000 0.000
- 93.138 80.407 97.467-101.706
- 93.629 16.806 111.588 -75.696
- 126.378-170.297 120.513 -80.334
- 94.649 99.345 0.000 0.000
- 127.947 -76.913 114.915-118.698
- 117.947-106.794 118.154-125.479
- 118.499-138.368 112.551-113.692
- 92.895 63.151 103.672-110.884
- 93.329 0.000 112.230 -77.492
- # 3 total E -1.80918E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 47.909 110.539 -81.675
- 91.996 81.575 136.625 -12.337
- 92.443 47.137 102.177 -85.670
- 91.870 41.733 150.107-101.122
- 91.116 43.536 122.470-112.005
- 91.796 46.605 137.213 95.459
- 91.388 50.990 135.872-125.121
- 92.300 83.961 133.911-113.173
- 94.912 -39.819 148.648 -19.927
- 96.343 97.545 0.000 0.000
- 127.393 -23.348 0.000 0.000
- 93.010 61.977 100.278-101.807
- 92.686 47.419 114.020 -72.193
- 93.243 52.775 112.887 -76.824
- 94.638 66.173 0.000 0.000
- 119.751 -78.086 126.735-117.030
- 117.995-107.864 117.261-123.952
- 117.972-137.550 116.076-118.797
- 93.086 59.368 101.726-103.866
- 93.332 0.000 114.433 -77.251
- # 4 total E -1.69933E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 37.350 104.810 -79.538
- 92.658 158.700 142.612 -6.769
- 93.345 84.495 107.532 -69.954
- 92.924 8.535 169.627-151.772
- 90.827 -96.206 96.576 -54.409
- 106.153 165.935 141.422-126.893
- 92.008 76.362 144.552 -15.440
- 93.749 81.275 127.906-128.601
- 92.723 -94.605 134.296-144.681
- 94.289 24.880 0.000 0.000
- 127.612 -51.334 0.000 0.000
- 115.276-170.187 118.614-124.444
- 129.955-145.700 144.961 176.363
- 123.728 -72.354 119.384 -78.546
- 95.432 69.085 0.000 0.000
- 127.782 -84.171 118.993-129.760
- 118.017-111.893 114.334-119.538
- 117.655-114.048 136.821-149.037
- 117.905-116.207 117.832-120.492
- 121.738 0.000 121.476 -80.610
- # 5 total E -1.71789E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 46.884 110.192 -81.529
- 92.004 78.641 140.408 -21.201
- 92.497 47.255 101.513 -83.429
- 91.716 43.664 149.066 -99.634
- 90.801 44.043 115.990 -33.233
- 91.489 48.279 153.106 121.368
- 91.389 54.148 133.091 -43.246
- 91.935 91.543 135.945-120.374
- 93.642 -45.976 106.173 -84.518
- 96.113 95.399 0.000 0.000
- 133.482 -55.760 0.000 0.000
- 118.397-133.060 130.083-138.556
- 125.823-132.114 120.046 -78.942
- 94.101 53.047 116.118 -78.907
- 95.056 74.016 0.000 0.000
- 122.691 -75.653 99.493 -62.223
- 116.789-105.443 119.888-127.280
- 118.091-139.828 113.306-114.725
- 93.009 59.427 106.229-114.876
- 93.331 0.000 114.308 -77.191
- # 6 total E -1.74540E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 48.781 147.831 -27.127
- 91.990 79.866 135.851 -12.902
- 92.433 46.838 101.826 -86.799
- 91.735 43.064 150.754 -99.343
- 90.955 43.855 119.615-114.627
- 91.720 46.859 116.550 46.149
- 91.154 45.965 134.839-128.813
- 91.609 63.127 138.554-135.004
- 93.243 37.025 140.857-123.659
- 95.480 71.613 0.000 0.000
- 129.767 -63.095 0.000 0.000
- 92.618 65.862 100.426 -98.953
- 93.257 16.931 114.666 -76.248
- 98.502 -95.855 111.800 -76.519
- 128.269-172.390 0.000 0.000
- 129.749 -81.424 139.565 83.972
- 117.937-108.729 117.615-124.867
- 118.037-136.935 115.820-118.306
- 93.107 59.462 101.654-103.671
- 93.329 0.000 114.414 -77.246
- # 7 total E -1.72654E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.694 147.990 -27.306
- 91.903 78.115 130.347 -3.667
- 92.418 48.260 99.953 -89.782
- 91.588 43.703 151.006 -98.681
- 90.891 44.044 121.582-117.388
- 91.664 47.004 122.000 55.787
- 91.184 44.098 133.341-132.921
- 91.645 58.501 137.831-134.203
- 93.069 42.845 139.730-124.399
- 95.729 68.405 0.000 0.000
- 133.242 -66.099 0.000 0.000
- 92.933 67.335 101.061-100.589
- 93.274 8.145 114.464 -76.463
- 117.142-114.688 116.892 -76.940
- 130.089 -98.953 0.000 0.000
- 126.865 -92.653 141.549 62.516
- 117.896-107.978 123.917-133.404
- 118.090-136.919 114.524-116.075
- 93.099 59.593 101.585-104.164
- 93.332 0.000 114.355 -77.237
- # 8 total E -1.75693E+02 rmsd from N 0.000 %NC 0.00 0
- 93.690 124.320 147.824 -22.303
- 119.364-111.221 146.280 -29.662
- 92.459 49.842 102.092 -80.877
- 91.410 43.512 144.865-101.569
- 90.838 43.582 116.548 -71.595
- 91.663 44.045 153.259 22.269
- 91.410 54.796 135.309-137.610
- 92.081 52.228 135.993-111.617
- 93.565-121.441 109.484 -81.871
- 94.680 149.236 0.000 0.000
- 136.953 -63.707 0.000 0.000
- 92.692 65.301 132.149-156.256
- 92.600 62.173 114.821 -76.157
- 93.215 44.759 125.843-122.278
- 94.407 57.285 0.000 0.000
- 114.243 -66.916 118.669-113.682
- 117.336-105.554 117.928-125.352
- 118.014-140.066 114.304-116.336
- 93.145 52.993 98.404-107.375
- 93.351 0.000 115.345 -79.529
- # 9 total E -1.80018E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 49.394 147.679 -26.651
- 92.001 79.514 138.607 -17.318
- 92.472 46.355 102.815 -85.573
- 91.738 44.176 151.514 -99.313
- 91.015 41.956 120.335-113.326
- 91.798 50.501 109.673 42.157
- 91.455 38.200 138.473-127.711
- 92.463 80.965 134.849-133.957
- 95.173 -42.387 145.918-142.622
- 97.167 84.340 0.000 0.000
- 94.980 44.813 0.000 0.000
- 92.335 54.387 131.536-156.247
- 91.854 52.091 111.821 -77.206
- 92.800 51.745 111.703 -78.915
- 94.711 66.420 0.000 0.000
- 119.481 -78.759 126.350-122.661
- 117.993-107.892 117.308-123.969
- 117.994-137.473 116.090-118.804
- 93.087 59.383 101.662-103.737
- 93.332 0.000 114.442 -77.252
- # 10 total E -1.72185E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 49.341 147.968 -26.856
- 91.893 78.314 129.701 -3.578
- 92.482 47.297 98.040 -90.021
- 91.767 43.689 147.235 -95.525
- 90.904 43.090 119.745-119.002
- 91.513 50.616 134.611 48.748
- 91.408 45.673 135.572-157.590
- 92.693 74.650 136.151-133.365
- 92.950 -84.520 145.573-122.485
- 94.517 151.009 0.000 0.000
- 134.481 -54.820 0.000 0.000
- 92.404 54.441 91.819 -93.416
- 93.153 28.181 113.028 -77.745
- 114.492 -66.069 120.927 -80.841
- 130.065 -17.575 0.000 0.000
- 133.767 -76.036 144.647 -56.479
- 118.111-110.285 110.051-113.281
- 117.620-136.504 127.656-136.960
- 93.125 59.121 101.128 -97.962
- 93.333 0.000 114.602 -77.283
- # 11 total E -1.73735E+02 rmsd from N 0.000 %NC 0.00 0
- 93.687 88.791 146.068 10.154
- 91.950 75.342 137.726 -19.312
- 92.304 53.064 93.127 -72.619
- 92.328 41.038 146.938-108.118
- 91.311 55.998 117.891-108.847
- 92.891 77.788 170.504 16.029
- 91.958 140.902 146.186-131.932
- 92.633 84.450 124.802-154.505
- 94.926 -34.908 144.078-121.772
- 95.327 90.331 0.000 0.000
- 124.657 -16.319 0.000 0.000
- 92.768 58.806 93.739 -97.534
- 92.910 42.871 114.836 -72.448
- 95.994-102.186 112.152 -71.872
- 95.994 160.718 0.000 0.000
- 128.006 -81.159 87.631 -63.240
- 117.330-108.423 120.718-128.047
- 118.726-141.036 112.299-113.259
- 92.999 55.465 97.820-103.895
- 93.346 0.000 111.828 -81.229
- # 12 total E -1.72940E+02 rmsd from N 0.000 %NC 0.00 0
- 93.708 127.150 149.910 -6.237
- 118.360-114.103 145.255 -31.350
- 92.590 48.397 104.514 -86.294
- 91.594 42.844 147.333-101.738
- 91.120 43.217 103.270 -53.048
- 91.876 46.158 146.731 94.838
- 91.588 50.477 137.920-119.081
- 92.584 70.309 140.741-132.454
- 93.172 -55.198 143.985-124.964
- 118.720-156.159 0.000 0.000
- 95.108 58.756 0.000 0.000
- 95.054 113.344 97.582 -99.486
- 92.091 -31.588 132.704 -37.989
- 88.455 -56.754 113.524 -76.729
- 93.149 23.111 0.000 0.000
- 124.181 -90.155 142.317 -2.819
- 117.649-106.966 127.910-139.532
- 118.399-138.099 115.597-117.437
- 93.066 61.818 134.080-159.029
- 93.327 0.000 113.807 -76.621
- # 13 total E -1.73169E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 46.704 110.000 -81.338
- 91.997 76.557 137.287 -27.173
- 92.534 47.204 97.393 -80.232
- 92.147 40.513 149.496-102.377
- 90.982 45.023 119.067 -54.221
- 91.687 42.058 167.490 29.821
- 91.309 54.319 133.249-117.198
- 92.009 45.418 134.602-106.954
- 92.890-116.382 106.024 -80.276
- 94.254 134.251 0.000 0.000
- 95.494 63.453 0.000 0.000
- 93.257 64.789 127.652-150.841
- 93.483 32.062 113.116 -77.704
- 118.996-103.853 117.657 -79.571
- 95.109 158.746 0.000 0.000
- 129.460 -87.489 124.197 -57.203
- 117.817-106.519 120.689-128.424
- 118.082-137.871 112.671-114.335
- 93.008 55.098 100.866-110.148
- 93.344 0.000 114.349 -79.483
- # 14 total E -1.76017E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 49.280 148.109 -27.026
- 91.912 78.673 130.919 -2.882
- 92.461 48.099 103.353 -87.822
- 91.850 43.013 149.113 -98.549
- 90.977 44.219 119.965-118.385
- 91.823 49.663 137.635 35.888
- 91.673 52.094 135.646-140.116
- 92.631 80.870 137.113-130.202
- 113.008-112.089 145.612-128.789
- 95.280 153.689 0.000 0.000
- 132.273 -66.216 0.000 0.000
- 128.071 102.087 113.781-110.932
- 92.516 -33.759 116.675 -80.511
- 90.631 -46.299 114.594 -76.140
- 93.796 71.285 0.000 0.000
- 128.313-112.598 110.770 -48.918
- 117.967-107.186 125.867-135.025
- 117.663-114.214 113.178-114.793
- 117.763-119.031 122.801-129.200
- 122.374 0.000 122.439 -83.944
- # 15 total E -1.72227E+02 rmsd from N 0.000 %NC 0.00 0
- 93.660 123.017 109.587 -81.100
- 118.713-113.556 148.187 -30.304
- 92.615 49.435 134.895 107.801
- 91.534 45.349 138.528 -88.971
- 90.889 42.880 130.335-127.429
- 91.489 49.720 137.866 -2.189
- 91.437 44.828 148.301-175.523
- 92.624 71.567 136.052-130.625
- 93.130 -88.607 133.248-118.795
- 94.427 153.771 0.000 0.000
- 137.757 -47.679 0.000 0.000
- 92.484 61.718 95.664-104.171
- 92.692 50.536 113.794 -73.808
- 93.324 51.092 112.988 -79.268
- 94.774 66.697 0.000 0.000
- 120.127 -78.087 125.609-116.209
- 117.962-109.427 118.016-125.222
- 117.992-118.532 112.533-113.870
- 117.672-116.257 123.829-130.618
- 121.735 0.000 121.554 -80.554
- # 16 total E -1.74047E+02 rmsd from N 0.000 %NC 0.00 0
- 93.685 85.705 146.796 4.451
- 91.914 74.753 139.181 -29.725
- 92.766 45.865 176.031-177.044
- 92.175 43.605 136.309 -85.933
- 91.059 43.386 112.142-119.734
- 91.649 49.115 119.289 -57.449
- 91.504 47.635 152.657-157.641
- 92.672 71.391 137.010-132.392
- 93.294 -84.542 145.252-127.194
- 94.793 162.482 0.000 0.000
- 140.106 -47.411 0.000 0.000
- 120.294-169.874 114.532-118.170
- 93.984 97.459 115.238 -76.993
- 125.143 -92.873 119.972 -80.677
- 95.212 160.464 0.000 0.000
- 129.151 -83.114 97.030 -82.507
- 117.902-108.588 116.917-123.440
- 118.348-136.816 114.809-117.372
- 93.016 58.546 102.054-102.281
- 93.334 0.000 114.476 -77.673
- # 17 total E -1.78521E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 49.310 147.695 -26.687
- 92.003 80.209 138.547 -17.596
- 92.482 46.564 102.847 -85.714
- 91.749 44.319 150.882 -98.633
- 90.998 42.228 120.275-114.098
- 91.754 51.445 109.487 42.767
- 91.495 38.580 139.966-129.327
- 92.573 82.624 134.296-134.449
- 94.301 -47.039 146.258-147.181
- 96.482 91.841 0.000 0.000
- 94.633 53.487 0.000 0.000
- 94.107 115.138 131.636-156.287
- 92.150 -27.271 121.714 -71.069
- 89.331 -62.430 113.349 -77.067
- 93.394 24.631 0.000 0.000
- 126.369 -80.141 117.180 129.030
- 117.483-107.915 135.350-151.151
- 117.901-137.303 119.008-122.614
- 93.113 59.261 101.413-102.024
- 93.332 0.000 114.490 -77.271
- # 18 total E -1.68036E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 29.796 103.184 -80.462
- 92.498 154.909 135.045 -1.706
- 93.457 87.221 119.099-104.002
- 93.115 4.237 166.462-147.588
- 91.263 -90.805 97.535 -48.191
- 113.960 167.651 145.555-133.394
- 92.117 70.199 150.446 -21.108
- 92.866 101.914 140.309-131.406
- 129.590 -1.416 164.113-166.702
- 131.116 -29.132 0.000 0.000
- 127.444 -61.000 0.000 0.000
- 100.785 -28.993 131.278-152.447
- 91.294 96.963 115.263 -76.124
- 91.233 -16.968 113.456 -76.840
- 99.802 -66.404 0.000 0.000
- 125.620 -48.009 112.309-114.793
- 118.531-110.565 111.895-112.427
- 118.064-139.298 120.167-126.117
- 93.013 59.931 130.101-152.984
- 93.333 0.000 114.450 -76.830
- # 19 total E -1.83113E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.102 147.963 -27.715
- 91.898 78.214 130.392 -2.064
- 92.415 48.312 97.506 -89.280
- 91.669 43.889 151.045 -97.781
- 90.876 45.018 123.067-117.897
- 91.786 45.253 114.122 74.135
- 91.359 47.985 130.574-133.419
- 92.254 51.936 140.879-134.612
- 93.395 135.791 147.814-152.250
- 130.202 -45.106 0.000 0.000
- 126.028 -57.792 0.000 0.000
- 105.605 -32.277 96.096 -89.492
- 91.194 95.952 114.523 -76.129
- 91.366 -17.326 110.358 -78.605
- 103.598 -53.861 0.000 0.000
- 129.815 -51.591 126.039 -67.278
- 120.095-114.751 112.849-114.856
- 118.463-139.488 119.018-124.421
- 92.954 59.838 108.337-114.855
- 93.331 0.000 113.826 -77.483
- # 20 total E -1.78463E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.927 110.406 -81.558
- 92.001 81.093 137.779 -16.239
- 92.569 45.904 102.033 -84.477
- 91.951 42.006 151.721 -98.781
- 91.132 43.291 121.822-110.624
- 91.829 48.029 144.945 95.939
- 91.562 45.347 138.403-114.624
- 92.673 72.257 138.357-133.776
- 93.322 -36.111 144.556-136.290
- 126.725-138.616 0.000 0.000
- 94.190 88.296 0.000 0.000
- 131.355 81.399 111.800-107.377
- 94.356 -29.067 115.957 -75.795
- 91.667 -48.473 114.828 -76.241
- 94.227 58.705 0.000 0.000
- 129.754-108.511 147.867 -0.428
- 117.820-106.407 117.337-125.313
- 117.997-138.995 117.747-120.942
- 93.124 60.190 134.327-159.902
- 93.329 0.000 114.465 -76.734
- # 21 total E -1.78761E+02 rmsd from N 0.000 %NC 0.00 0
- 93.680 53.135 143.865 -22.840
- 92.700 129.493 146.628 -21.755
- 129.248 -94.605 96.824 -93.424
- 92.869 51.139 146.996-106.682
- 91.023 43.787 121.949 -71.648
- 91.603 50.894 120.620 -31.602
- 91.302 50.008 135.979 -63.013
- 92.333 64.775 136.210-133.110
- 93.264-106.939 107.386 -82.488
- 94.799 151.044 0.000 0.000
- 138.049 -66.855 0.000 0.000
- 92.879 74.950 103.684-106.245
- 93.163 90.135 115.371 -76.998
- 93.221 41.355 114.512 -78.498
- 94.926 65.533 0.000 0.000
- 118.872 -75.865 123.799 -92.039
- 117.918-108.671 114.941-120.926
- 118.425-141.120 115.989-118.694
- 93.155 50.807 91.050 -93.317
- 93.359 0.000 114.997 -80.851
- # 22 total E -1.71981E+02 rmsd from N 0.000 %NC 0.00 0
- 93.772 127.822 137.960 5.246
- 115.390-114.541 143.813 -34.516
- 92.943 48.041 146.291-100.463
- 91.854 43.265 141.782 -96.712
- 91.006 43.487 101.544 -52.907
- 91.581 50.687 116.446 -71.717
- 91.319 42.883 143.030-146.304
- 92.670 63.162 133.738-134.899
- 93.584 -32.409 153.295-131.818
- 129.065-116.532 0.000 0.000
- 94.680 82.506 0.000 0.000
- 92.673 73.914 97.978-104.618
- 92.332 63.478 107.237 -83.067
- 92.581 56.937 114.750 -78.802
- 93.971 65.887 0.000 0.000
- 114.079 -66.915 100.525 -79.576
- 118.032-109.078 116.896-123.376
- 118.948-138.432 113.114-115.370
- 92.997 57.205 98.938 -90.172
- 93.337 0.000 115.209 -77.543
- # 23 total E -1.74395E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 48.246 110.637 -81.722
- 91.989 81.952 135.376 -10.191
- 92.454 47.526 101.428 -85.718
- 91.878 41.855 150.361 -99.373
- 91.045 44.878 122.699-113.251
- 91.835 46.081 130.285 94.066
- 91.421 53.978 134.255-125.295
- 91.974 67.177 141.645-137.018
- 92.942 133.128 149.050 -13.097
- 94.837 114.291 0.000 0.000
- 131.266 -62.860 0.000 0.000
- 117.417 -81.581 119.433-124.200
- 92.936 74.147 115.480 -76.358
- 94.045 46.915 113.582 -77.257
- 95.420 75.901 0.000 0.000
- 123.202 -82.837 131.932-148.014
- 117.961-107.736 119.301-126.905
- 118.029-137.520 115.481-117.775
- 93.087 59.406 101.685-104.058
- 93.333 0.000 114.408 -77.246
- # 24 total E -1.67875E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 123.023 109.514 -81.194
- 118.508-115.349 143.849 -32.165
- 92.376 49.180 106.262 -86.275
- 91.237 44.792 148.155-101.816
- 90.840 43.855 109.923 -60.916
- 91.699 45.999 114.481 50.017
- 91.208 47.066 134.257-128.263
- 91.643 64.007 139.278-135.094
- 93.244 36.912 142.854-128.911
- 95.487 71.598 0.000 0.000
- 129.784 -62.961 0.000 0.000
- 92.629 65.904 100.456 -98.983
- 93.261 17.069 114.685 -76.212
- 98.414 -96.409 111.865 -76.496
- 127.996-172.690 0.000 0.000
- 129.738 -81.665 137.197 88.445
- 117.936-108.682 117.799-125.212
- 118.036-136.935 115.741-118.193
- 93.104 59.560 101.643-103.719
- 93.333 0.000 114.407 -77.246
- # 25 total E -1.68536E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 35.861 105.050 -80.028
- 92.530 157.098 133.826 -6.599
- 93.527 87.442 99.684 -71.653
- 93.244 2.888 170.054-166.418
- 91.399 -89.169 133.933-124.412
- 113.743 166.733 128.691 -59.147
- 92.013 87.366 143.694 -5.340
- 92.595 51.386 131.227-140.024
- 93.535-176.748 145.589 -18.427
- 94.665 126.877 0.000 0.000
- 132.078 -63.108 0.000 0.000
- 112.178 -48.726 94.859 -84.421
- 91.003 84.122 114.647 -75.935
- 91.492 -7.296 113.027 -77.638
- 108.735 -43.622 0.000 0.000
- 134.539 -67.579 156.317-166.845
- 118.833-111.103 111.820-115.602
- 117.465-136.750 126.510-134.229
- 93.121 60.154 132.044-155.668
- 93.330 0.000 114.539 -76.829
- # 26 total E -1.78393E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 122.822 109.373 -81.257
- 118.411-116.559 144.141 -31.221
- 92.428 49.475 105.447 -85.975
- 91.347 44.355 148.618-101.612
- 90.859 44.916 104.181 -56.395
- 91.748 45.173 112.877 60.114
- 91.220 54.406 132.343-127.981
- 91.976 51.983 140.623-124.585
- 93.447 99.839 140.894-139.272
- 130.596 -14.992 0.000 0.000
- 125.730 -68.990 0.000 0.000
- 111.100 -52.524 96.506 -84.865
- 89.779 76.624 114.373 -75.850
- 90.700 2.024 114.051 -76.777
- 102.024 -71.943 0.000 0.000
- 129.702 -44.871 123.668-145.303
- 119.926-118.151 108.708-110.484
- 118.629-132.925 122.870-128.830
- 93.047 60.740 131.271-154.289
- 93.330 0.000 114.339 -76.918
- # 27 total E -1.71722E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.975 110.435 -81.658
- 92.018 80.262 138.816 -11.908
- 92.367 47.101 97.992 -71.371
- 92.092 41.072 147.178-105.134
- 91.152 42.925 121.932-111.020
- 92.085 44.164 133.621 97.600
- 91.384 54.113 136.522-121.089
- 91.622 60.819 143.704-138.623
- 92.924 62.310 147.371 -27.513
- 95.269 67.248 0.000 0.000
- 129.877 -72.610 0.000 0.000
- 118.308 -81.446 116.670-120.008
- 93.537 84.322 115.422 -76.595
- 124.571 -95.649 118.191 -81.010
- 126.453-166.177 0.000 0.000
- 128.536 -74.208 135.026 155.687
- 118.062-108.571 117.557-124.253
- 118.607-139.266 114.502-116.862
- 93.133 52.004 94.002 -96.270
- 93.356 0.000 114.684 -80.728
- # 28 total E -1.71461E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 48.568 110.237 -81.262
- 92.034 87.369 147.554 -12.253
- 92.523 51.439 99.465 -85.231
- 91.683 43.897 140.864 -99.998
- 90.809 62.008 134.763 -99.908
- 91.831 53.087 145.344 114.036
- 92.493 120.957 135.084 -84.729
- 90.066 -28.914 154.028-157.858
- 90.384 -55.436 141.767-121.977
- 93.444 17.619 0.000 0.000
- 117.891 -79.254 0.000 0.000
- 93.596 42.965 133.494-157.816
- 116.969 -70.966 120.872 -80.174
- 93.521 -19.741 114.262 -76.141
- 95.959 111.774 0.000 0.000
- 133.495-117.822 139.315 170.214
- 120.227-104.951 113.960-117.489
- 118.033-136.976 115.757-119.775
- 93.138 60.284 101.544-103.243
- 93.332 0.000 114.084 -77.157
- # 29 total E -1.75389E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 48.775 147.988 -27.152
- 91.900 77.607 130.484 -4.180
- 92.414 47.805 99.885 -89.651
- 91.590 43.509 149.716 -97.163
- 90.849 43.481 120.966-117.310
- 91.561 46.855 122.329 57.441
- 91.103 44.537 135.776-137.650
- 91.647 57.220 138.802-134.369
- 93.332 33.744 141.695-124.395
- 95.301 72.177 0.000 0.000
- 127.528 -43.698 0.000 0.000
- 92.419 69.256 100.340-100.195
- 92.419 21.876 113.162 -76.378
- 95.234-116.598 113.907 -77.713
- 95.129 143.211 0.000 0.000
- 130.214 -86.717 163.654-131.075
- 117.930-106.700 116.715-123.447
- 118.329-137.629 115.781-118.323
- 93.082 59.296 101.970-104.915
- 93.333 0.000 114.390 -77.326
- # 30 total E -1.73703E+02 rmsd from N 0.000 %NC 0.00 0
- 93.653 48.099 147.976 -27.720
- 91.893 78.139 130.244 -0.824
- 92.394 47.915 98.622 -88.972
- 91.627 43.793 151.248 -97.392
- 90.922 43.060 123.280-118.501
- 91.706 44.819 123.631 80.074
- 91.166 42.649 132.415-131.799
- 91.586 51.249 141.517-128.835
- 93.131 34.138 143.208-139.146
- 95.353 48.027 0.000 0.000
- 94.650 43.243 0.000 0.000
- 91.986 50.292 97.066 -96.048
- 91.609 50.462 112.428 -77.908
- 92.662 51.272 111.939 -78.547
- 94.665 66.285 0.000 0.000
- 119.243 -78.634 127.050-118.942
- 117.989-109.465 118.024-125.192
- 118.010-118.229 112.583-113.934
- 117.681-116.256 123.706-130.420
- 121.734 0.000 121.553 -80.556
- # 31 total E -1.72115E+02 rmsd from N 0.000 %NC 0.00 0
- 93.552 3.830 132.900-152.811
- 114.141-117.720 143.492 -32.163
- 92.638 47.247 104.709 -86.798
- 91.689 43.133 147.299-101.173
- 91.149 42.979 104.945 -52.201
- 91.937 45.842 145.481 97.127
- 91.628 50.213 138.123-118.607
- 92.636 70.071 141.276-132.136
- 93.213 -56.207 144.444-126.019
- 118.920-155.871 0.000 0.000
- 95.093 58.505 0.000 0.000
- 95.044 113.418 97.597 -99.490
- 92.094 -31.571 132.669 -38.184
- 88.448 -56.757 113.519 -76.713
- 93.151 23.170 0.000 0.000
- 124.239 -90.541 143.042 -0.829
- 117.705-107.000 127.683-139.267
- 118.395-138.300 115.571-117.435
- 93.072 61.760 133.992-159.121
- 93.326 0.000 113.832 -76.623
- # 32 total E -1.69271E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 46.749 109.862 -81.346
- 92.113 82.939 140.402 -33.448
- 93.169 52.538 105.276 -71.292
- 92.657 68.109 147.380 -90.695
- 91.394 61.202 113.778 -46.228
- 92.837 115.239 129.695-129.140
- 90.908 -42.138 151.524-124.339
- 93.318 -51.029 153.281 176.304
- 95.141 -69.023 149.056 -23.813
- 94.690 66.696 0.000 0.000
- 95.470 56.503 0.000 0.000
- 94.258 120.417 131.438-155.383
- 91.645 -30.397 110.721 -68.777
- 88.746 -61.151 113.549 -76.491
- 93.369 37.612 0.000 0.000
- 130.062 -78.221 116.602 -55.102
- 117.848-108.052 129.389-140.945
- 117.884-136.125 117.841-120.116
- 93.145 65.219 130.965-154.787
- 93.320 0.000 112.949 -76.131
- # 33 total E -1.71723E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.379 147.984 -27.661
- 91.905 78.751 130.192 -4.737
- 92.444 47.961 96.980 -88.301
- 91.769 43.507 149.558 -98.161
- 91.000 43.792 120.682-117.766
- 91.784 47.188 145.522 38.197
- 91.457 48.064 133.725-135.506
- 91.984 87.123 137.791-123.311
- 93.802 -49.960 143.364-136.054
- 96.558 91.969 0.000 0.000
- 95.396 66.423 0.000 0.000
- 115.129 -29.922 140.991-158.983
- 93.202 76.827 115.323 -76.046
- 93.606 43.411 135.037-106.252
- 95.308 74.350 0.000 0.000
- 120.204 -80.131 129.747-134.617
- 118.002-107.819 117.084-123.468
- 118.009-137.457 116.077-118.828
- 93.092 59.288 101.703-103.883
- 93.332 0.000 114.444 -77.250
- # 34 total E -1.70983E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 50.319 147.789 -26.055
- 91.986 78.262 133.316 -19.550
- 92.725 44.403 97.676 -83.895
- 92.085 43.445 144.013 -93.393
- 90.963 42.404 118.227-114.095
- 91.518 51.353 159.649 44.463
- 91.481 47.231 142.743 -35.552
- 92.391 80.298 136.163-136.132
- 93.356 -5.635 142.054-117.973
- 127.553 -33.472 0.000 0.000
- 129.208 -58.795 0.000 0.000
- 115.722 -78.309 117.412-122.520
- 92.618 77.799 115.517 -76.552
- 94.972 19.632 113.558 -77.589
- 96.659 163.194 0.000 0.000
- 127.029-114.010 138.303 -9.467
- 117.792-107.243 119.943-126.909
- 117.976-139.833 116.529-118.488
- 93.045 59.588 107.637-110.526
- 93.330 0.000 114.248 -77.178
- # 35 total E -1.71651E+02 rmsd from N 0.000 %NC 0.00 0
- 93.684 85.152 147.121 4.106
- 91.903 75.872 141.038 -19.895
- 92.219 47.919 100.115 -83.509
- 91.560 43.374 136.714 -93.517
- 90.834 44.104 119.005-116.289
- 91.519 47.153 156.403 125.796
- 91.421 50.304 141.776 -36.434
- 91.923 86.065 137.572-126.326
- 93.624 -49.005 104.060 -77.972
- 96.202 92.317 0.000 0.000
- 95.034 67.633 0.000 0.000
- 93.163 103.846 94.324 -93.648
- 128.399 -95.682 120.512 -81.528
- 94.243 63.458 115.853 -76.290
- 95.285 78.145 0.000 0.000
- 123.820 -82.902 106.780 -60.123
- 117.632-107.095 117.697-123.994
- 117.890-137.902 114.799-116.905
- 93.150 60.330 130.057-153.607
- 93.329 0.000 114.360 -76.797
- # 36 total E -1.69051E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.278 147.978 -27.690
- 91.904 78.712 130.308 -4.934
- 92.451 47.664 97.409 -88.198
- 91.773 43.555 150.141 -97.913
- 91.008 43.219 120.598-117.663
- 91.759 47.483 145.227 38.965
- 91.413 45.606 134.778-133.691
- 91.996 84.148 138.886-133.876
- 94.326 -44.973 143.296-133.071
- 96.768 86.705 0.000 0.000
- 95.124 47.195 0.000 0.000
- 92.837 59.807 131.287-155.709
- 93.260 125.312 112.300 -77.845
- 90.591 -42.730 113.643 -77.919
- 91.441 -44.293 0.000 0.000
- 120.217 -93.506 121.743 -45.930
- 117.593-107.453 121.724-129.760
- 117.977-136.938 114.158-115.776
- 93.176 60.808 129.793-153.303
- 93.330 0.000 114.287 -76.787
- # 37 total E -1.67701E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.770 147.977 -27.155
- 91.900 78.527 131.038 1.180
- 92.324 50.156 98.694 -86.536
- 91.547 42.914 149.605 -97.033
- 90.811 45.744 122.423-119.921
- 91.532 46.956 124.040 61.380
- 91.316 50.215 141.668-103.348
- 91.999 58.540 139.108-135.523
- 93.423 179.664 142.809-127.953
- 94.662 132.735 0.000 0.000
- 133.913 -30.755 0.000 0.000
- 93.710 89.060 98.308-100.189
- 128.579 -95.039 121.748 -78.175
- 126.602 -82.714 121.859 -80.126
- 124.575-165.949 0.000 0.000
- 129.133 -77.764 135.755-101.465
- 118.252-108.661 115.250-121.379
- 117.907-136.144 114.172-116.267
- 93.205 60.593 128.253-150.527
- 93.329 0.000 114.229 -76.908
- # 38 total E -1.76732E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.413 110.539 -81.836
- 91.998 82.157 135.641 -9.492
- 92.468 46.626 105.377 -81.089
- 91.861 43.018 150.651-102.607
- 90.949 43.308 122.523-116.356
- 91.593 47.235 140.222 19.905
- 91.456 47.386 136.219-132.339
- 92.515 72.610 139.016-131.594
- 92.900 -98.590 134.631-116.668
- 94.653 129.213 0.000 0.000
- 135.254 -62.296 0.000 0.000
- 114.811 167.488 121.483-129.456
- 93.959 79.204 116.309 -77.424
- 94.583 34.495 115.032 -76.947
- 95.811 72.798 0.000 0.000
- 125.658 -77.596 155.639 -55.031
- 118.243-109.233 106.917-109.942
- 117.773-138.560 118.206-122.555
- 93.126 60.013 134.687-159.990
- 93.329 0.000 114.557 -76.752
- # 39 total E -1.72755E+02 rmsd from N 0.000 %NC 0.00 0
- 93.641 38.501 105.377 -79.442
- 92.597 156.606 139.465 -4.025
- 93.219 86.703 105.960 -71.402
- 93.261 6.996 169.939-154.321
- 91.295 -93.013 94.140 -51.977
- 107.037 169.859 142.683-126.295
- 92.035 47.746 139.606 -14.576
- 94.077 106.043 134.582-107.485
- 90.636 -37.773 104.501 -68.366
- 89.556 -55.198 0.000 0.000
- 93.655 36.338 0.000 0.000
- 131.826 168.738 112.239-106.361
- 93.598 97.284 102.539 19.545
- 94.047 34.598 113.930 -75.200
- 96.046 76.740 0.000 0.000
- 125.483 -84.123 124.216 -56.267
- 118.368-108.335 116.879-122.675
- 118.186-135.914 113.968-116.149
- 93.120 59.500 98.434-100.378
- 93.332 0.000 114.344 -77.374
- # 40 total E -1.74310E+02 rmsd from N 0.000 %NC 0.00 0
- 93.695 90.164 142.116 -14.963
- 92.762 126.873 143.601 -33.808
- 129.447 -98.485 98.865-103.088
- 93.036 47.547 149.412 -98.503
- 91.235 45.853 103.951 -47.839
- 92.217 47.453 146.050 103.465
- 91.623 47.133 136.925 -99.425
- 92.885 68.992 138.539-135.830
- 93.548 -64.521 145.345-126.272
- 120.203-155.787 0.000 0.000
- 94.996 60.536 0.000 0.000
- 94.912 113.948 97.447 -99.732
- 92.119 -31.524 131.422 -38.487
- 88.484 -56.718 113.322 -76.638
- 93.202 22.535 0.000 0.000
- 124.545 -93.785 144.080 27.118
- 117.777-107.961 128.641-140.260
- 118.618-139.595 117.452-119.732
- 93.034 61.187 139.229-166.127
- 93.327 0.000 114.094 -76.601
- # 41 total E -1.68241E+02 rmsd from N 0.000 %NC 0.00 0
- 93.664 58.376 147.089 -24.603
- 92.630 121.201 140.181 -42.619
- 130.832 -93.849 97.522 -99.328
- 92.983 47.051 153.902-102.254
- 91.346 43.916 111.106 -75.318
- 92.516 45.403 147.853 29.670
- 91.741 45.080 131.720-105.286
- 92.910 70.610 141.646-135.471
- 93.603-102.640 135.112-113.626
- 94.583 159.781 0.000 0.000
- 137.128 -56.246 0.000 0.000
- 93.570 74.667 98.992-106.489
- 132.727-109.263 122.117 -82.624
- 121.114 -69.013 120.490 -79.272
- 94.654 161.618 0.000 0.000
- 131.459 -86.852 110.365 -49.635
- 116.568-103.684 124.907-133.665
- 118.242-136.793 111.659-112.287
- 93.239 49.242 98.483-110.339
- 93.363 0.000 120.004 -78.368
- # 42 total E -1.71717E+02 rmsd from N 0.000 %NC 0.00 0
- 93.638 40.664 106.953 -80.134
- 92.511 155.561 135.858 -8.517
- 93.331 84.252 103.064 -74.308
- 92.854 9.726 168.234-151.139
- 90.914 -98.172 106.966 -41.625
- 103.489 173.123 160.729-123.695
- 92.136 45.879 141.911 -13.134
- 94.049 102.082 133.107-107.166
- 91.254 -39.162 93.256 -71.674
- 91.612 -55.098 0.000 0.000
- 94.106 31.949 0.000 0.000
- 131.668 169.469 113.637-108.422
- 130.539-174.321 126.230 22.140
- 94.289 52.647 116.474 -75.904
- 130.474-149.690 0.000 0.000
- 128.789 -82.992 163.445-150.241
- 117.965-108.409 120.606-130.001
- 118.092-136.994 114.976-116.836
- 93.098 59.587 101.613-103.977
- 93.331 0.000 114.374 -77.239
- # 43 total E -1.73168E+02 rmsd from N 0.000 %NC 0.00 0
- 93.679 52.530 143.915 -23.394
- 92.687 126.131 147.872 -25.835
- 129.884 -94.390 95.712 -95.234
- 92.824 52.155 146.058-112.181
- 90.978 43.514 120.516 -69.091
- 91.514 51.661 120.105 -32.846
- 91.267 51.144 136.898 -54.356
- 92.217 64.215 135.451-133.235
- 93.186-105.846 106.721 -83.223
- 94.827 151.896 0.000 0.000
- 138.419 -68.659 0.000 0.000
- 93.036 76.364 104.054-106.902
- 93.277 94.326 117.829 -77.426
- 93.279 40.877 114.512 -78.386
- 94.991 68.791 0.000 0.000
- 119.912 -72.093 128.572 -97.556
- 117.958-108.002 113.877-119.741
- 118.447-134.066 113.620-115.666
- 118.315-115.457 112.075-113.955
- 121.595 0.000 121.103 -79.922
- # 44 total E -1.71096E+02 rmsd from N 0.000 %NC 0.00 0
- 93.718 102.135 139.797 -3.527
- 92.578 122.531 146.071 -37.274
- 131.114 -88.534 104.983 -94.751
- 92.714 50.081 150.727-101.025
- 91.198 41.825 118.039 -83.318
- 92.009 54.645 112.197 38.239
- 91.398 38.233 142.397-115.490
- 92.491 81.919 133.061-135.082
- 94.256 -47.160 146.042-143.292
- 96.482 93.026 0.000 0.000
- 94.658 56.998 0.000 0.000
- 93.972 115.147 132.855-158.196
- 92.161 -27.014 121.388 -71.174
- 89.409 -62.490 113.305 -77.094
- 93.413 24.615 0.000 0.000
- 126.227 -80.131 123.861 122.084
- 117.505-107.905 133.892-149.080
- 117.902-137.356 118.850-122.286
- 93.112 59.249 101.421-102.122
- 93.332 0.000 114.484 -77.270
- # 45 total E -1.73310E+02 rmsd from N 0.000 %NC 0.00 0
- 93.690 89.040 145.485 9.891
- 91.808 72.918 127.889 -20.820
- 92.480 45.317 85.312 -83.277
- 92.195 42.785 144.462 -93.633
- 91.033 41.571 116.913-112.566
- 91.646 48.122 139.614 -23.931
- 91.387 42.470 136.844-156.954
- 92.618 67.862 137.337-131.296
- 92.938 -99.420 133.599-120.475
- 94.541 119.967 0.000 0.000
- 94.981 86.750 0.000 0.000
- 93.183 103.720 97.945-105.779
- 122.103-106.095 117.835 -79.700
- 94.439 60.450 115.944 -76.292
- 95.829 75.925 0.000 0.000
- 124.910-103.050 99.787 -60.604
- 118.040-109.019 117.124-123.058
- 117.976-139.105 116.590-119.795
- 93.084 58.542 107.016 -93.900
- 93.333 0.000 114.561 -77.423
- # 46 total E -1.77612E+02 rmsd from N 0.000 %NC 0.00 0
- 93.673 96.116 147.629 -13.191
- 92.624 125.066 142.356 -39.973
- 130.915 -92.465 95.294 -97.162
- 92.813 48.426 147.692-103.355
- 91.126 45.847 113.810 -37.164
- 91.963 46.270 136.104 100.673
- 91.121 52.180 135.280-110.181
- 91.982 54.781 139.406-126.379
- 93.353 100.620 141.951-133.583
- 130.251 -15.127 0.000 0.000
- 125.719 -68.934 0.000 0.000
- 111.242 -52.874 96.595 -84.852
- 89.760 76.420 114.371 -75.850
- 90.682 2.179 114.149 -76.708
- 102.150 -71.677 0.000 0.000
- 129.768 -45.018 124.226-145.478
- 119.874-116.282 108.945-110.808
- 118.573-131.185 123.651-129.907
- 93.046 61.031 130.694-152.918
- 93.330 0.000 114.333 -76.867
- # 47 total E -1.79285E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 47.914 110.455 -81.610
- 92.005 81.094 137.884 -14.462
- 92.453 47.382 101.933 -85.210
- 91.893 41.200 149.747-100.385
- 91.095 44.635 121.830-110.670
- 91.861 45.009 141.212 98.784
- 91.460 54.610 136.105-114.585
- 92.035 63.093 142.253-132.505
- 92.843 144.283 144.857-120.520
- 94.527 124.993 0.000 0.000
- 132.678 -61.142 0.000 0.000
- 112.449 -45.033 94.366 -84.596
- 91.311 86.700 114.690 -75.956
- 91.689 -11.607 112.532 -78.424
- 110.781 -36.432 0.000 0.000
- 133.785 -73.716 133.509-123.950
- 118.860-112.018 112.860-116.777
- 117.708-136.647 129.817-138.569
- 93.099 58.972 101.337 -99.042
- 93.336 0.000 114.626 -77.330
- # 48 total E -1.73615E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 47.856 110.474 -81.633
- 92.013 80.987 138.093 -14.000
- 92.413 47.185 103.006 -83.582
- 92.050 41.661 168.197-143.061
- 90.977 44.509 127.554 -97.797
- 91.809 45.083 147.642 91.742
- 91.397 69.268 132.355-115.953
- 91.915 54.409 133.561-114.295
- 93.273 96.648 107.742 -77.527
- 134.932 -69.798 0.000 0.000
- 133.903 -32.181 0.000 0.000
- 132.504 113.590 113.352-107.395
- 92.644 -30.984 114.677 -77.706
- 90.618 -48.638 114.600 -76.143
- 93.657 65.825 0.000 0.000
- 130.441-107.965 127.262 -41.072
- 117.762-106.332 111.991-115.401
- 117.786-138.904 119.606-124.457
- 93.131 59.969 133.056-157.361
- 93.329 0.000 114.542 -76.774
- # 49 total E -1.75703E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.559 148.007 -27.409
- 91.932 80.384 128.431 5.160
- 92.507 53.557 94.929 -90.774
- 92.106 42.511 148.429 -96.897
- 91.250 60.225 120.638-125.897
- 92.665 72.409 137.939 36.534
- 91.708 133.637 140.964-123.788
- 92.742 87.296 122.016-149.646
- 94.518 -38.434 142.546-125.801
- 95.192 94.833 0.000 0.000
- 127.322 -21.461 0.000 0.000
- 93.104 60.798 90.254 -86.430
- 92.642 47.213 115.589 -70.585
- 93.287 50.574 112.705 -76.125
- 94.703 65.254 0.000 0.000
- 119.892 -76.813 138.711-154.792
- 117.986-107.890 116.625-122.634
- 117.968-137.573 116.315-119.233
- 93.080 59.580 101.744-103.824
- 93.332 0.000 114.422 -77.254
- # 50 total E -1.68061E+02 rmsd from N 0.000 %NC 0.00 0
- 93.674 95.454 147.629 -14.247
- 92.613 124.844 142.272 -41.754
- 131.110 -92.329 94.597 -97.295
- 92.729 49.216 148.235-104.870
- 91.150 45.903 112.819 -32.435
- 92.012 46.389 137.594 92.422
- 91.218 47.103 133.653-113.530
- 91.964 57.873 138.681-138.193
- 93.519 108.600 152.688 -25.455
- 125.457 -67.938 0.000 0.000
- 122.290 -69.067 0.000 0.000
- 91.662 49.896 101.086-100.116
- 93.324 33.240 114.480 -76.785
- 95.934 -91.527 138.125 -23.001
- 126.307 0.014 0.000 0.000
- 130.962 -74.257 124.425 -63.510
- 118.960-108.447 113.424-116.775
- 117.793-139.005 130.342-139.974
- 93.003 58.305 99.800-102.426
- 93.339 0.000 111.919 -80.001
- # 51 total E -1.74971E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.997 110.457 -81.609
- 92.006 81.108 137.869 -14.448
- 92.453 47.393 101.931 -85.214
- 91.894 41.204 149.763-100.426
- 91.097 44.664 121.843-110.665
- 91.864 44.996 141.203 98.686
- 91.464 54.640 136.039-114.527
- 92.034 63.303 142.250-132.448
- 92.852 144.725 144.914-120.780
- 94.503 125.043 0.000 0.000
- 132.835 -60.983 0.000 0.000
- 112.469 -45.637 94.444 -84.422
- 91.284 86.414 114.690 -75.953
- 91.673 -11.154 112.627 -78.365
- 110.644 -37.001 0.000 0.000
- 133.763 -72.316 133.953-124.066
- 118.878-115.267 113.097-117.107
- 117.937-113.611 125.310-131.071
- 117.746-116.231 120.106-123.909
- 121.738 0.000 121.504 -80.603
- # 52 total E -1.73538E+02 rmsd from N 0.000 %NC 0.00 0
- 93.683 84.319 147.486 1.178
- 91.945 72.304 135.519 -30.646
- 92.549 49.494 149.438-105.031
- 91.984 42.290 137.780 -92.970
- 90.989 44.281 112.620-115.684
- 91.565 51.446 112.086 -62.354
- 91.331 43.957 149.613-140.861
- 92.556 64.422 133.127-134.165
- 93.504 -28.361 152.209-129.761
- 128.733-119.850 0.000 0.000
- 94.675 81.573 0.000 0.000
- 92.641 73.775 97.904-104.520
- 92.361 60.503 107.478 -83.090
- 92.675 55.514 114.071 -78.262
- 94.097 67.518 0.000 0.000
- 116.322 -67.154 98.082 -77.387
- 118.157-109.664 117.692-124.447
- 118.379-116.177 111.130-113.065
- 117.916-116.135 113.506-115.300
- 121.727 0.000 121.436 -80.576
- # 53 total E -1.72515E+02 rmsd from N 0.000 %NC 0.00 0
- 93.676 99.227 148.052 -7.756
- 92.634 126.906 140.470 -26.854
- 128.978 -91.799 92.859 -91.721
- 92.582 51.475 143.780-105.032
- 90.952 45.025 125.184 -83.059
- 91.519 49.854 117.089 -24.804
- 91.241 45.743 145.202 -95.129
- 92.411 65.749 135.216-135.518
- 92.950-104.551 133.031-119.887
- 94.785 145.441 0.000 0.000
- 135.778 -73.843 0.000 0.000
- 112.204 108.321 127.346-138.925
- 93.737 108.364 115.446 -75.212
- 94.038 38.983 115.090 -77.593
- 95.588 68.467 0.000 0.000
- 122.707 -85.610 129.265 -99.478
- 117.995-108.947 114.937-120.870
- 117.739-140.793 116.546-119.875
- 93.225 53.291 93.624 -91.336
- 93.348 0.000 115.485 -79.055
- # 54 total E -1.76950E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 45.187 109.808 -81.614
- 92.020 79.711 141.037 -16.725
- 92.410 46.458 121.440 110.797
- 91.719 42.244 147.193 -92.133
- 90.851 44.754 120.807-116.357
- 91.433 52.766 129.064 23.715
- 91.278 43.934 149.170-137.504
- 92.539 77.637 133.032-133.681
- 93.183 -72.116 139.120-125.775
- 95.011 164.310 0.000 0.000
- 136.372 -40.815 0.000 0.000
- 91.764 61.220 98.162-105.208
- 92.267 35.011 113.444 -77.212
- 95.025-109.589 113.132 -75.865
- 95.869 156.838 0.000 0.000
- 129.221 -91.409 135.176 -42.897
- 118.290-111.083 119.617-126.141
- 117.983-115.103 114.123-116.453
- 117.969-116.102 112.618-113.577
- 121.723 0.000 121.405 -80.572
- # 55 total E -1.69867E+02 rmsd from N 0.000 %NC 0.00 0
- 93.675 125.594 110.474 -77.623
- 117.829-116.307 146.044 -29.627
- 92.520 61.349 143.296-106.297
- 91.609 49.380 143.544-112.471
- 90.960 42.713 107.894 -81.573
- 91.796 49.044 109.921-118.574
- 91.133 57.515 137.466-119.333
- 91.739 69.818 138.453-126.163
- 93.245 21.039 137.295-119.148
- 124.275 -15.209 0.000 0.000
- 129.183 -56.216 0.000 0.000
- 121.435 164.958 122.110-125.807
- 93.588 88.095 116.792 -77.621
- 94.298 46.647 115.004 -76.990
- 95.107 67.521 0.000 0.000
- 119.167 -78.625 85.259 -66.621
- 116.994-107.304 120.045-127.566
- 118.122-142.505 112.039-113.078
- 92.880 62.971 103.624-113.616
- 93.328 0.000 110.170 -79.411
- # 56 total E -1.72373E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 47.273 110.329 -81.633
- 92.021 81.383 139.019 -15.264
- 92.493 46.994 104.372 -76.942
- 91.835 42.483 150.615-101.047
- 91.068 42.534 122.529-111.994
- 91.678 47.505 146.691 102.488
- 91.502 49.260 141.861-116.049
- 92.354 78.878 140.142-132.371
- 93.008 5.634 145.633-145.657
- 122.802 -71.816 0.000 0.000
- 122.315 -35.938 0.000 0.000
- 117.311-148.400 121.883-128.021
- 125.116-167.106 121.311 -81.035
- 94.169 53.212 116.068 -76.316
- 95.601 82.376 0.000 0.000
- 125.323 -81.902 157.833 11.518
- 118.008-108.906 109.307-112.916
- 117.720-140.370 118.302-122.489
- 93.107 59.686 135.276-161.690
- 93.329 0.000 114.617 -76.734
- # 57 total E -1.70557E+02 rmsd from N 0.000 %NC 0.00 0
- 93.653 90.119 150.705 -19.382
- 92.608 128.585 134.185 -36.921
- 130.810 -96.951 99.323-100.303
- 93.240 46.590 159.562-132.677
- 91.281 48.910 107.017 -43.778
- 92.270 46.313 149.219 89.193
- 91.655 56.480 128.659-110.451
- 92.189 98.000 133.797-115.392
- 93.926 -47.855 148.717-162.419
- 96.208 85.867 0.000 0.000
- 133.510 -84.505 0.000 0.000
- 129.483 140.194 116.472-113.414
- 93.884 73.245 119.144 -76.648
- 94.878 39.124 115.155 -77.035
- 95.756 62.307 0.000 0.000
- 122.633 -82.602 87.284 -62.853
- 116.391-107.117 120.490-128.098
- 118.197-145.323 112.942-114.519
- 92.834 57.700 107.661-111.894
- 93.339 0.000 111.392 -80.311
- # 58 total E -1.76441E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.709 147.999 -27.469
- 91.908 78.628 130.589 -6.127
- 92.440 47.827 97.418 -87.769
- 91.808 42.947 149.373 -98.586
- 91.024 43.914 120.073-116.566
- 91.753 47.067 145.704 39.661
- 91.389 49.595 133.859-135.281
- 92.297 84.168 132.196-111.548
- 94.800 -41.029 141.936-132.525
- 96.276 97.362 0.000 0.000
- 127.375 -22.483 0.000 0.000
- 93.021 61.758 99.834-103.023
- 92.692 47.352 114.240 -72.359
- 93.246 53.045 112.870 -76.900
- 94.650 66.364 0.000 0.000
- 119.908 -78.272 126.690-117.718
- 117.989-109.406 118.007-125.182
- 117.995-118.731 112.547-113.894
- 117.665-116.259 123.831-130.596
- 121.734 0.000 121.554 -80.554
- # 59 total E -1.70846E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 48.830 110.908 -81.849
- 91.912 82.835 130.193 12.147
- 92.539 52.646 93.401 -89.891
- 91.911 42.954 147.651-102.009
- 90.920 58.343 126.364-129.522
- 92.232 51.560 135.889 11.131
- 92.725 114.348 130.185-126.933
- 90.246 -31.289 149.046-145.414
- 90.601 -58.683 150.897 -3.880
- 93.329 22.478 0.000 0.000
- 126.540-105.567 0.000 0.000
- 92.495 76.125 125.067-148.371
- 93.453 61.771 114.301 -76.594
- 93.316 50.496 110.144 -82.753
- 94.910 67.304 0.000 0.000
- 120.352 -78.806 125.995-126.920
- 117.994-107.924 117.227-123.800
- 117.989-137.416 116.063-118.785
- 93.093 59.332 101.691-103.840
- 93.331 0.000 114.433 -77.250
- # 60 total E -1.74601E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 47.903 110.253 -81.392
- 92.000 78.727 138.662 -22.103
- 92.608 46.049 97.199 -80.972
- 92.058 42.015 149.075 -99.841
- 90.999 43.903 120.192-108.523
- 91.727 47.432 166.693 29.123
- 91.354 50.234 137.584-124.363
- 92.313 71.986 138.293-129.599
- 92.837 -54.904 133.328-102.701
- 118.211-158.661 0.000 0.000
- 95.141 56.258 0.000 0.000
- 94.926 113.209 97.824 -99.533
- 92.161 -30.326 129.687 -39.014
- 88.642 -57.796 112.859 -79.890
- 93.361 20.906 0.000 0.000
- 123.022 -82.393 145.358 -5.535
- 116.480-157.426 128.592-141.093
- 93.069 112.866 109.497-110.916
- 93.178 25.601 96.575-102.524
- 93.366 0.000 115.808 -79.032
- # 61 total E -1.71301E+02 rmsd from N 0.000 %NC 0.00 0
- 93.658 122.664 109.188 -81.334
- 118.518-116.793 145.994 -30.086
- 92.440 50.425 104.298 -87.114
- 91.416 43.127 147.176-103.179
- 90.974 44.251 100.845 -54.381
- 91.874 44.795 134.812 93.309
- 91.501 52.520 134.610-119.228
- 92.066 63.777 141.510-131.077
- 93.035 146.288 142.565-139.850
- 94.665 123.476 0.000 0.000
- 130.789 -58.467 0.000 0.000
- 128.376 106.267 114.532-111.558
- 92.487 -32.298 116.249 -80.478
- 90.607 -48.109 114.667 -76.064
- 93.713 70.108 0.000 0.000
- 128.374-113.270 150.864 69.235
- 117.901-107.629 121.273-132.598
- 117.845-133.375 115.441-116.973
- 117.316-116.140 134.196-146.583
- 121.696 0.000 121.557 -80.327
- # 62 total E -1.73026E+02 rmsd from N 0.000 %NC 0.00 0
- 93.658 80.274 147.785 -25.119
- 92.566 126.937 141.660 -43.372
- 131.565 -91.471 93.930 -99.764
- 92.823 48.681 147.987-100.235
- 91.174 46.771 113.126 -49.275
- 91.995 47.518 150.557 51.164
- 91.372 54.656 134.320-115.644
- 91.946 63.848 138.833-131.004
- 92.889 166.413 132.088-127.824
- 95.024 119.203 0.000 0.000
- 128.989 -57.437 0.000 0.000
- 128.186 105.632 114.412-111.520
- 92.423 -32.668 115.847 -80.564
- 90.466 -47.171 114.506 -76.066
- 93.639 70.009 0.000 0.000
- 128.056-114.321 176.432 169.027
- 117.497-107.661 123.685-135.362
- 117.938-133.791 115.322-116.680
- 117.347-116.120 134.158-146.486
- 121.696 0.000 121.532 -80.342
- # 63 total E -1.71303E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 48.533 147.832 -27.371
- 91.991 80.277 135.948 -13.388
- 92.496 46.310 102.108 -86.075
- 91.779 42.173 151.113 -98.551
- 90.920 45.971 120.163-113.092
- 91.744 45.964 118.581 56.545
- 91.334 49.300 131.997-130.930
- 92.199 55.354 139.450-133.716
- 93.899-159.166 141.684-120.281
- 132.280 -55.797 0.000 0.000
- 94.518 75.537 0.000 0.000
- 93.977 126.292 94.846-100.699
- 92.366 -28.031 116.112 -73.402
- 89.990 -62.785 112.469 -76.718
- 93.298 49.477 0.000 0.000
- 129.841 -80.932 90.416 -64.142
- 117.687-108.024 126.998-138.779
- 116.320-135.071 97.392 -87.917
- 92.973 68.267 103.593-112.464
- 93.314 0.000 111.322 -75.908
- # 64 total E -1.85283E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 47.363 148.037 -28.006
- 91.901 78.571 130.716 -2.002
- 92.389 48.664 98.711 -87.884
- 91.804 42.746 150.673 -98.796
- 90.982 44.440 123.014-116.373
- 91.809 44.871 125.070 89.783
- 91.273 53.238 132.436-127.447
- 92.020 51.961 141.772-125.847
- 93.453 99.946 157.832 -7.739
- 130.595 -12.607 0.000 0.000
- 125.480 -70.480 0.000 0.000
- 110.675 -52.091 96.386 -85.172
- 89.768 76.400 114.362 -75.848
- 90.715 2.548 113.923 -76.843
- 101.585 -73.510 0.000 0.000
- 128.891 -44.177 121.366-142.832
- 120.790-145.881 110.850-113.006
- 119.619-110.420 112.469-112.785
- 93.120 64.137 125.411-146.098
- 93.321 0.000 112.747 -76.967
- # 65 total E -1.71600E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.403 148.032 -27.782
- 91.903 78.425 130.676 -1.484
- 92.396 48.545 98.979 -88.153
- 91.793 43.131 150.538 -98.433
- 90.991 44.142 123.200-117.036
- 91.847 46.474 125.166 92.166
- 91.391 51.673 133.594-129.408
- 92.021 67.010 140.836-131.129
- 93.207 136.775 147.352-168.182
- 129.648 -69.435 0.000 0.000
- 132.948 -32.311 0.000 0.000
- 110.614 -29.437 124.308-134.924
- 92.178 91.815 115.089 -76.376
- 91.572 -24.349 110.050 -76.992
- 105.315 -91.215 0.000 0.000
- 126.355-112.130 123.065 81.984
- 118.352-108.980 124.441-132.990
- 117.807-116.949 121.637-124.442
- 117.767-116.236 120.555-124.773
- 121.741 0.000 121.519 -80.598
- # 66 total E -1.67652E+02 rmsd from N 0.000 %NC 0.00 0
- 93.660 122.970 109.537 -81.157
- 118.309-115.939 144.921 -31.792
- 92.350 49.961 104.646 -87.556
- 91.296 45.067 147.153-101.668
- 90.859 44.011 117.195 -69.357
- 91.770 44.889 127.970 41.135
- 91.437 46.726 133.334-130.463
- 92.457 63.197 140.423-133.028
- 93.160 -82.851 136.421-110.876
- 122.513 -76.274 0.000 0.000
- 131.008 -51.576 0.000 0.000
- 92.633 64.594 100.760-102.427
- 93.170 53.167 113.461 -76.707
- 93.319 50.677 117.569 -77.274
- 94.769 66.162 0.000 0.000
- 120.066 -77.761 126.279-116.370
- 117.953-107.980 117.239-123.947
- 117.976-137.527 116.088-118.805
- 93.086 59.368 101.693-103.810
- 93.333 0.000 114.432 -77.251
- # 67 total E -1.73973E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 48.630 110.524 -81.502
- 92.023 82.510 135.004 -15.607
- 92.630 49.228 94.170 -83.972
- 92.193 41.236 148.229-103.706
- 91.035 53.912 127.156 -89.091
- 92.333 45.891 151.153 7.142
- 92.669 116.028 126.219-131.804
- 90.147 -27.008 147.780-151.545
- 89.850 -57.485 141.642-118.520
- 94.028 12.463 0.000 0.000
- 109.062 -60.390 0.000 0.000
- 86.167 -29.395 131.491-160.476
- 92.927 118.336 115.083 -76.152
- 95.513 38.598 138.950 -59.880
- 95.522 76.720 0.000 0.000
- 120.293 -81.732 102.330 -57.441
- 117.461-107.119 120.366-127.339
- 118.015-138.816 113.491-114.974
- 93.041 59.595 105.335-113.094
- 93.330 0.000 114.299 -77.178
- # 68 total E -1.77487E+02 rmsd from N 0.000 %NC 0.00 0
- 93.687 86.285 146.096 5.934
- 91.910 74.435 139.584 -20.253
- 92.391 46.011 137.027 109.121
- 91.841 43.997 137.768 -85.977
- 90.939 43.032 117.246-119.805
- 91.495 50.781 134.711 -7.345
- 91.381 44.381 151.849-175.970
- 92.586 72.559 134.934-130.643
- 93.105 -87.144 133.622-120.359
- 94.567 154.510 0.000 0.000
- 137.125 -49.158 0.000 0.000
- 92.497 61.832 95.437-102.549
- 92.708 50.343 113.727 -74.518
- 93.325 51.370 112.963 -79.022
- 94.772 66.805 0.000 0.000
- 120.137 -78.230 125.717-116.221
- 117.974-109.449 118.015-125.212
- 117.992-118.483 112.539-113.880
- 117.673-116.249 123.830-130.608
- 121.734 0.000 121.554 -80.554
- # 69 total E -1.70710E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 122.890 109.421 -81.225
- 118.715-115.303 144.199 -31.726
- 92.372 49.674 105.682 -86.981
- 91.183 44.817 148.295-101.422
- 90.806 43.741 107.130 -59.211
- 91.620 46.067 119.358 56.029
- 91.151 45.584 133.205-132.661
- 91.408 61.191 138.847-134.347
- 92.745 45.028 141.690-131.735
- 95.476 66.243 0.000 0.000
- 131.876 -62.692 0.000 0.000
- 93.034 72.258 101.207-101.099
- 93.392 5.670 114.173 -76.274
- 121.660-141.152 118.348 -77.914
- 94.954 142.667 0.000 0.000
- 129.778 -87.594 131.169 -68.391
- 118.214-106.892 117.648-124.402
- 118.189-138.246 113.042-115.111
- 93.055 59.475 102.912-109.122
- 93.332 0.000 114.276 -77.302
- # 70 total E -1.68762E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 37.066 106.413 -80.784
- 92.485 155.290 133.656 -13.702
- 93.368 85.505 100.823 -64.683
- 94.153 4.395 170.002-165.689
- 91.625 -88.811 115.705 -37.533
- 116.893 161.737 101.488 -72.670
- 92.104 87.642 140.968 -11.040
- 92.759 74.060 133.638-138.899
- 93.321 170.528 139.839-140.138
- 94.838 117.135 0.000 0.000
- 129.079 -53.488 0.000 0.000
- 128.309 107.985 114.424-111.487
- 92.526 -30.826 117.012 -79.025
- 90.571 -49.462 114.643 -76.092
- 93.700 67.124 0.000 0.000
- 128.025-118.777 144.699 -5.383
- 117.452-106.411 121.442-130.826
- 117.518-140.742 119.635-123.306
- 93.094 59.054 108.923-111.144
- 93.332 0.000 114.444 -77.184
- # 71 total E -1.68809E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.866 147.980 -27.115
- 91.899 78.885 130.344 -5.019
- 92.436 47.421 95.483 -87.906
- 91.811 43.415 149.201 -99.328
- 90.938 43.430 121.227-117.785
- 91.766 47.190 140.937 21.907
- 91.551 46.385 137.560-129.434
- 92.663 72.880 138.826-131.583
- 93.076 -94.511 135.084-116.858
- 94.615 157.186 0.000 0.000
- 139.216 -60.401 0.000 0.000
- 93.291 70.618 126.979-148.860
- 93.692 121.819 111.644 -77.220
- 93.829 11.696 115.712 -77.848
- 123.748-139.080 0.000 0.000
- 128.180 -82.745 143.497 142.501
- 117.991-108.634 117.191-123.961
- 118.039-136.773 116.137-118.827
- 93.108 59.483 101.568-103.311
- 93.332 0.000 114.451 -77.296
- # 72 total E -1.70141E+02 rmsd from N 0.000 %NC 0.00 0
- 93.653 48.295 147.984 -27.722
- 91.959 82.540 126.866 6.170
- 92.689 53.884 95.539 -93.199
- 92.247 44.987 145.397-100.044
- 91.217 66.811 124.159-127.198
- 92.669 61.746 128.371 37.846
- 92.433-173.445 130.567-125.527
- 127.598 -54.660 144.421 155.184
- 96.712 -67.634 148.615 -24.333
- 94.943 61.559 0.000 0.000
- 93.966 51.975 0.000 0.000
- 93.496 125.278 130.651-154.023
- 90.915 -27.410 121.973 -72.630
- 89.003 -61.124 113.003 -76.044
- 93.651 31.155 0.000 0.000
- 128.069 -81.011 118.824 -52.756
- 117.528-107.516 129.217-140.823
- 117.863-137.415 116.537-118.772
- 93.185 60.500 130.523-154.197
- 93.328 0.000 114.351 -76.791
- # 73 total E -1.73235E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 122.946 109.485 -81.164
- 118.993-113.535 146.086 -30.950
- 92.400 49.845 103.733 -87.425
- 91.344 44.729 145.318-100.376
- 90.903 44.051 115.120 -68.338
- 91.840 47.492 138.859 41.609
- 91.737 51.043 134.838-139.901
- 92.701 80.358 138.426-129.302
- 113.187-112.796 145.970-128.739
- 95.288 155.119 0.000 0.000
- 132.081 -67.165 0.000 0.000
- 128.226 100.606 114.162-111.715
- 92.515 -34.216 115.748 -80.568
- 90.653 -45.722 114.649 -76.120
- 93.862 71.408 0.000 0.000
- 128.312-111.307 113.736 -44.591
- 117.674-106.195 125.659-135.069
- 117.977-137.960 115.696-117.774
- 93.158 60.468 130.401-154.396
- 93.328 0.000 114.320 -76.799
- # 74 total E -1.72368E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 43.176 110.089 -82.299
- 92.530 152.736 136.853 -8.374
- 92.151 78.298 93.987 -84.644
- 92.957 22.763 166.093-149.188
- 91.866-104.599 117.960 -19.732
- 93.787 144.326 106.216 -40.949
- 92.081 62.779 169.852-154.096
- 93.795 85.016 132.917 -99.118
- 92.961 -92.809 142.499 175.350
- 94.772 30.087 0.000 0.000
- 131.928 -64.788 0.000 0.000
- 116.936 176.554 121.579-127.708
- 130.018-160.322 132.942 21.488
- 121.262 178.426 121.295 -78.556
- 95.200 81.171 0.000 0.000
- 127.350 -82.349 144.845-178.137
- 118.105-108.414 116.825-123.057
- 118.030-136.877 116.569-119.486
- 93.106 59.439 101.561-103.214
- 93.329 0.000 114.436 -77.254
- # 75 total E -1.71757E+02 rmsd from N 0.000 %NC 0.00 0
- 93.638 47.725 110.374 -81.617
- 92.010 82.899 140.958 -12.155
- 92.317 46.905 103.366 -75.526
- 91.714 44.239 146.470 -96.886
- 90.854 42.158 122.834-118.061
- 91.335 48.502 113.293 17.863
- 91.369 42.423 152.056-129.101
- 92.512 65.338 137.117-134.005
- 93.240 -49.264 132.741-112.454
- 122.674-141.269 0.000 0.000
- 94.714 63.477 0.000 0.000
- 93.582 76.516 97.803-100.194
- 93.611 6.720 140.722-139.849
- 121.765-119.653 121.647 -79.014
- 95.242 154.937 0.000 0.000
- 129.684 -92.633 149.247 -92.126
- 118.636-108.979 114.054-119.443
- 117.988-136.684 115.693-118.404
- 93.139 60.504 132.319-155.331
- 93.329 0.000 114.329 -76.834
- # 76 total E -1.68304E+02 rmsd from N 0.000 %NC 0.00 0
- 93.692 89.929 144.365 -9.020
- 92.542 135.473 141.577 -31.589
- 128.052 -29.981 105.390-102.258
- 123.986-176.881 140.266 -65.905
- 90.700 -28.016 154.211 118.664
- 103.365 -83.003 124.888 -44.395
- 92.162 58.222 136.878-100.868
- 94.068 65.628 132.468-121.300
- 120.209-144.439 108.697 -97.142
- 94.797 100.661 0.000 0.000
- 125.088 -54.553 0.000 0.000
- 123.289 112.845 132.420-139.875
- 93.468 81.971 137.040-102.290
- 93.802 42.162 141.004-126.705
- 94.377 52.369 0.000 0.000
- 109.281 -60.653 113.814-116.250
- 116.716-103.782 118.403-126.415
- 118.284-145.576 112.795-114.224
- 92.925 56.014 100.791-109.787
- 93.341 0.000 111.738 -80.675
- # 77 total E -1.78780E+02 rmsd from N 0.000 %NC 0.00 0
- 93.658 49.183 147.797 -26.736
- 91.915 77.429 130.555 -9.721
- 92.698 45.486 98.950 -88.656
- 91.879 43.549 149.743 -95.407
- 90.941 43.491 118.153-114.552
- 91.804 49.050 116.599 37.484
- 91.222 44.193 137.152-140.520
- 92.444 71.820 137.053-133.504
- 93.795 -93.506 142.486-115.225
- 137.716 -78.367 0.000 0.000
- 135.999 -24.986 0.000 0.000
- 110.844 -29.627 94.981 -84.713
- 91.809 93.434 114.713 -76.088
- 91.769 -18.097 109.326 -78.084
- 111.205 -33.691 0.000 0.000
- 130.944 -72.530 127.463 -65.259
- 118.418-112.689 111.511-114.762
- 117.133-143.129 124.525-132.095
- 93.001 53.996 108.843-111.542
- 93.345 0.000 114.586 -79.219
- # 78 total E -1.71124E+02 rmsd from N 0.000 %NC 0.00 0
- 93.660 122.907 109.423 -81.229
- 118.318-116.044 144.014 -31.740
- 92.387 49.358 105.768 -87.144
- 91.226 44.794 148.644-100.901
- 90.834 43.422 106.547 -58.166
- 91.602 45.064 121.438 57.857
- 91.023 45.596 132.889-131.155
- 91.169 54.851 141.243-130.722
- 92.724 35.023 141.090-125.132
- 95.168 49.334 0.000 0.000
- 94.564 44.006 0.000 0.000
- 91.976 50.711 96.434 -98.062
- 91.616 50.504 111.969 -77.733
- 92.671 51.328 111.906 -78.537
- 94.663 66.155 0.000 0.000
- 119.096 -78.593 126.918-119.481
- 118.002-107.904 117.293-123.973
- 117.987-137.443 116.081-118.796
- 93.091 59.252 101.659-103.766
- 93.332 0.000 114.437 -77.252
- # 79 total E -1.69144E+02 rmsd from N 0.000 %NC 0.00 0
- 93.669 89.385 147.096 -18.903
- 92.661 126.911 143.189 -34.955
- 130.414 -94.540 95.235-100.983
- 92.828 49.413 148.715-100.410
- 91.188 45.545 108.997 -43.116
- 92.119 47.021 150.217 98.332
- 91.594 47.783 136.548-103.977
- 92.807 70.821 139.374-135.456
- 93.325 -61.834 144.354-120.704
- 119.983-157.064 0.000 0.000
- 94.968 59.910 0.000 0.000
- 94.933 113.785 97.493 -99.666
- 92.086 -31.380 132.286 -39.206
- 88.422 -56.755 113.354 -76.628
- 93.165 22.517 0.000 0.000
- 124.487 -90.382 143.747 20.660
- 117.564-107.508 129.573-140.631
- 118.034-127.709 113.177-114.575
- 117.481-116.342 129.167-138.227
- 121.757 0.000 121.575 -80.699
- # 80 total E -1.71638E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 48.059 110.569 -81.697
- 91.998 81.363 136.266 -11.616
- 92.440 47.270 102.000 -85.768
- 91.844 41.827 150.087 -99.951
- 91.072 44.141 122.456-112.507
- 91.824 45.542 135.293 95.743
- 91.327 51.911 135.333-122.228
- 91.636 67.963 141.906-137.178
- 92.804 59.225 148.624 -22.061
- 95.029 65.047 0.000 0.000
- 129.124 -64.335 0.000 0.000
- 117.670-132.572 130.814-140.026
- 125.805-130.413 119.299 -78.937
- 94.096 52.962 115.985 -76.258
- 95.107 74.846 0.000 0.000
- 123.082 -76.645 100.999 -61.188
- 116.833-105.611 120.007-127.386
- 118.063-139.848 113.264-114.673
- 93.011 59.556 106.562-115.310
- 93.332 0.000 114.304 -77.177
- # 81 total E -1.75501E+02 rmsd from N 0.000 %NC 0.00 0
- 93.687 89.692 145.788 11.732
- 91.917 75.818 140.323 -17.862
- 92.260 47.274 98.215 -80.157
- 91.559 43.716 147.019-107.535
- 90.829 45.080 121.887-112.265
- 91.406 50.003 155.028 118.021
- 91.264 55.482 129.863 -50.858
- 91.938 92.955 133.380-122.038
- 93.622 -46.440 106.977 -86.355
- 96.004 93.211 0.000 0.000
- 132.444 -49.575 0.000 0.000
- 118.025-133.960 121.206-126.815
- 127.713-158.643 122.538 -80.979
- 125.233-170.505 123.914 -81.780
- 95.132 83.914 0.000 0.000
- 128.040 -88.582 72.565 -69.445
- 117.816-107.577 118.402-124.562
- 118.093-136.303 116.276-118.141
- 93.066 61.052 99.917-103.550
- 93.329 0.000 112.972 -77.818
- # 82 total E -1.74147E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 89.820 150.124 -20.619
- 92.582 127.094 142.341 -43.295
- 131.487 -91.722 93.960-100.363
- 92.776 48.675 149.677-104.161
- 91.179 44.066 110.897 -42.021
- 92.004 48.353 151.411 100.434
- 91.362 49.902 136.830-110.910
- 92.370 83.248 133.225-115.650
- 95.034 -38.599 147.052-144.910
- 96.500 98.200 0.000 0.000
- 127.457 -25.446 0.000 0.000
- 92.986 62.498 101.740-101.161
- 92.695 47.566 114.234 -71.976
- 93.252 52.520 112.895 -76.664
- 94.640 65.981 0.000 0.000
- 119.748 -77.857 126.730-116.341
- 117.984-107.849 117.249-123.948
- 117.965-137.581 116.072-118.794
- 93.086 59.356 101.733-103.891
- 93.332 0.000 114.434 -77.250
- # 83 total E -1.72623E+02 rmsd from N 0.000 %NC 0.00 0
- 93.653 48.297 147.953 -27.912
- 91.894 79.149 130.008 -2.759
- 92.476 47.762 98.571 -89.512
- 91.719 44.069 152.214 -96.775
- 90.997 43.619 123.104-118.199
- 92.104 49.237 120.545 74.976
- 92.093 42.173 133.652-133.934
- 93.402 90.019 138.371-133.565
- 130.985 3.942 157.920 162.469
- 130.450 -33.162 0.000 0.000
- 127.584 -60.835 0.000 0.000
- 100.978 -29.784 131.360-152.324
- 91.302 96.806 115.263 -76.119
- 91.271 -17.086 112.822 -76.850
- 99.435 -66.121 0.000 0.000
- 127.337 -47.472 143.472-151.707
- 118.366-112.087 110.646-116.668
- 117.884-135.066 118.708-123.629
- 116.968-110.468 132.854-144.134
- 94.592 0.000 116.493 -77.152
- # 84 total E -1.70427E+02 rmsd from N 0.000 %NC 0.00 0
- 93.683 88.526 146.467 9.603
- 91.931 74.485 141.712 -23.062
- 92.294 48.294 99.304 -71.650
- 91.746 42.756 145.424-109.649
- 90.861 45.217 113.649 -37.237
- 91.562 49.469 161.104 128.634
- 91.393 57.193 129.970 -49.644
- 92.045 93.106 136.134-129.753
- 93.587 -47.898 145.498-125.676
- 95.962 94.613 0.000 0.000
- 132.679 -50.332 0.000 0.000
- 118.036-134.347 122.317-128.397
- 128.121-156.163 122.609 -80.993
- 124.346-169.987 123.719 -81.166
- 95.225 85.021 0.000 0.000
- 128.007 -91.614 73.089 -68.551
- 117.860-109.671 118.459-124.664
- 117.948-116.617 114.736-116.109
- 117.718-116.250 123.735-130.160
- 121.733 0.000 121.547 -80.557
- # 85 total E -1.71142E+02 rmsd from N 0.000 %NC 0.00 0
- 93.690 86.971 145.497 8.840
- 91.807 79.168 128.631 17.790
- 92.412 53.390 89.020 -89.364
- 91.955 43.314 142.159 -98.667
- 90.940 60.784 126.794-130.774
- 92.168 55.064 135.672 -8.372
- 92.588 116.287 134.957-124.764
- 90.313 -26.607 147.164-146.839
- 89.976 -59.709 139.829-114.394
- 92.776 20.896 0.000 0.000
- 114.941 -77.451 0.000 0.000
- 115.455 14.149 135.521-152.995
- 92.946 -53.720 116.223 -79.802
- 91.167 -4.787 115.042 -76.104
- 119.796 -22.684 0.000 0.000
- 120.335 -74.314 127.111 114.299
- 117.707-109.392 117.814-125.007
- 117.835-136.667 121.690-126.797
- 93.116 59.239 101.327-100.619
- 93.332 0.000 114.565 -77.282
- # 86 total E -1.71976E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 49.108 148.063 -27.262
- 91.956 81.565 128.964 3.187
- 92.853 48.735 95.902 -89.221
- 92.194 56.311 142.708 -98.141
- 91.243 57.600 130.051-135.234
- 92.727 110.312 149.059 97.775
- 91.535 -24.468 152.216-112.247
- 94.620 -66.228 135.022-137.935
- 113.296 -65.877 107.790 -81.065
- 94.337 58.895 0.000 0.000
- 95.269 46.483 0.000 0.000
- 92.530 50.273 127.654-150.056
- 91.771 51.594 116.712 -78.427
- 92.832 47.472 111.908 -78.498
- 94.697 63.797 0.000 0.000
- 119.749 -81.472 83.439 -66.927
- 117.356-106.667 119.969-127.334
- 117.972-139.706 111.803-112.894
- 93.014 57.840 107.087-118.925
- 93.336 0.000 114.357 -77.910
- # 87 total E -1.70433E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 48.489 110.461 -81.470
- 92.032 78.938 138.588 -14.786
- 92.487 46.829 94.763 -85.977
- 91.610 43.046 146.637-114.844
- 90.843 46.088 124.233-108.878
- 91.575 46.267 145.660 103.358
- 91.278 54.688 135.558 -92.765
- 92.072 68.743 138.387-132.698
- 93.182 74.744 143.621-128.837
- 130.279 -55.989 0.000 0.000
- 125.539 -30.260 0.000 0.000
- 117.546-139.991 123.751-130.592
- 128.909-148.077 122.901 -80.961
- 124.061 -78.469 121.267 -79.676
- 95.121 162.407 0.000 0.000
- 130.121-100.102 101.062 -57.914
- 117.121-106.463 120.052-127.592
- 117.810-140.402 112.070-113.380
- 93.016 55.954 101.535-110.859
- 93.347 0.000 112.027 -80.865
- # 88 total E -1.72363E+02 rmsd from N 0.000 %NC 0.00 0
- 93.658 122.583 109.120 -81.303
- 118.600-116.182 146.040 -30.218
- 92.424 50.134 104.246 -86.929
- 91.410 43.142 147.242-101.116
- 90.916 44.295 101.875 -54.482
- 91.777 45.709 131.790 99.905
- 91.354 55.228 136.423-119.629
- 91.912 65.551 142.259-137.220
- 92.787 142.977 151.863 -23.377
- 94.607 128.741 0.000 0.000
- 132.784 -60.241 0.000 0.000
- 112.592 -44.507 94.239 -84.499
- 91.370 86.982 114.693 -75.956
- 91.707 -12.166 112.382 -78.256
- 111.086 -35.601 0.000 0.000
- 133.791 -74.196 127.177-128.515
- 118.826-111.906 112.969-116.894
- 117.714-136.661 130.014-138.917
- 93.097 58.935 101.300 -98.911
- 93.334 0.000 114.630 -77.332
- # 89 total E -1.69627E+02 rmsd from N 0.000 %NC 0.00 0
- 93.682 81.870 147.782 0.585
- 91.942 77.797 136.617 -23.098
- 92.536 46.190 138.411-109.662
- 91.806 49.818 128.453 -86.072
- 90.966 43.735 119.184-124.037
- 91.514 49.221 100.891 -63.920
- 91.519 42.541 162.277-159.047
- 92.784 76.162 135.126-134.951
- 92.987 -44.887 145.826 -49.092
- 122.820 -50.739 0.000 0.000
- 120.057 -28.398 0.000 0.000
- 116.959-144.054 121.962-128.342
- 126.460-157.928 117.841 -85.742
- 94.297 54.072 116.065 -76.322
- 95.442 76.763 0.000 0.000
- 124.548 -75.842 157.914-164.592
- 117.284-106.969 109.749-114.816
- 117.958-135.626 112.797-114.568
- 117.281-116.335 133.545-146.944
- 121.743 0.000 121.641 -80.553
- # 90 total E -1.67925E+02 rmsd from N 0.000 %NC 0.00 0
- 93.690 124.796 148.799 -20.288
- 118.631-116.452 145.660 -30.763
- 92.484 49.580 103.830 -86.766
- 91.486 43.416 147.427-101.900
- 91.094 43.378 101.774 -53.674
- 91.869 45.570 147.194 92.975
- 91.618 50.924 137.310-116.251
- 92.586 70.600 141.424-132.164
- 93.132 -56.816 143.672-122.964
- 118.575-156.865 0.000 0.000
- 95.094 58.237 0.000 0.000
- 95.047 113.435 97.622 -99.497
- 92.086 -31.461 133.059 -38.660
- 88.420 -56.909 113.460 -76.701
- 93.127 23.446 0.000 0.000
- 124.196 -88.676 144.435 4.284
- 117.693-108.422 128.506-140.157
- 118.130-118.318 112.813-113.953
- 117.579-116.488 124.088-130.877
- 121.792 0.000 121.624 -80.867
- # 91 total E -1.73005E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 47.880 110.369 -81.522
- 92.011 81.088 139.516 -12.723
- 92.407 46.192 103.144 -83.486
- 91.863 41.114 150.762 -99.782
- 90.991 44.634 128.016 -97.578
- 91.691 45.363 131.426 98.082
- 91.230 48.045 135.269-121.878
- 91.430 67.829 139.899-130.464
- 92.707 45.589 139.713-159.611
- 94.795 66.603 0.000 0.000
- 124.174 -27.911 0.000 0.000
- 93.442 81.261 100.699-101.224
- 124.050 -86.646 119.280 -80.223
- 129.689 -85.351 122.418 -80.524
- 95.580 165.624 0.000 0.000
- 129.166 -95.762 103.173 -54.458
- 117.876-106.926 124.520-132.941
- 118.071-136.843 112.064-113.061
- 93.055 56.323 99.621-104.348
- 93.343 0.000 114.353 -78.950
- # 92 total E -1.70827E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 48.188 110.481 -81.560
- 92.024 79.356 138.156 -14.735
- 92.470 47.012 98.491 -89.418
- 91.529 43.416 150.953-111.381
- 90.782 44.752 124.390-109.865
- 91.321 50.508 149.125 102.287
- 91.282 47.477 140.774-104.460
- 92.181 83.104 134.917-137.010
- 94.731 -34.173 146.771-153.919
- 96.758 93.251 0.000 0.000
- 122.880 -22.586 0.000 0.000
- 120.924-174.086 111.837-112.455
- 94.147 104.687 134.989-113.000
- 125.285 -92.445 120.289 -80.829
- 95.236 161.295 0.000 0.000
- 128.807 -83.298 92.770 -65.430
- 117.322-107.175 119.625-127.019
- 118.023-138.761 111.734-112.909
- 93.031 57.759 102.323-113.889
- 93.342 0.000 113.718 -78.604
- # 93 total E -1.71526E+02 rmsd from N 0.000 %NC 0.00 0
- 93.665 123.955 109.920 -80.321
- 120.605-113.304 141.156 -37.231
- 92.436 49.287 116.450 -40.182
- 91.570 51.708 151.405-100.237
- 90.766 45.331 112.289 -63.972
- 91.535 48.244 123.510-124.757
- 91.387 54.352 140.996 -95.115
- 92.092 92.528 138.495-125.762
- 93.549 -44.439 140.044-123.873
- 95.873 93.509 0.000 0.000
- 131.707 -39.211 0.000 0.000
- 118.915-133.689 113.021-115.226
- 124.527-152.278 121.561 -80.453
- 132.197-167.652 126.197 -80.540
- 94.621 96.705 0.000 0.000
- 128.366 -69.880 98.851 -78.487
- 117.740-105.030 118.347-125.607
- 118.374-131.773 113.471-114.943
- 93.138 66.032 97.924-107.403
- 93.314 0.000 114.320 -74.029
- # 94 total E -1.68730E+02 rmsd from N 0.000 %NC 0.00 0
- 93.663 123.227 109.303 -80.471
- 122.099-109.006 154.824 -22.837
- 92.594 49.031 123.217 -43.282
- 91.551 50.972 171.029-144.673
- 90.688 44.762 113.617 -67.810
- 91.325 48.707 122.562-125.009
- 91.319 49.180 143.296-116.579
- 91.834 87.744 137.698-123.368
- 93.718 -48.852 141.972-124.311
- 96.504 92.489 0.000 0.000
- 95.119 66.445 0.000 0.000
- 113.819 -32.677 141.239-160.721
- 92.314 80.264 114.941 -76.196
- 92.205 -5.516 133.968-118.021
- 113.923 -42.407 0.000 0.000
- 134.187 -81.245 118.081 -57.226
- 117.742-108.954 116.041-120.760
- 117.867-136.566 119.423-123.794
- 93.097 64.443 130.972-154.756
- 93.322 0.000 112.264 -76.853
- # 95 total E -1.74116E+02 rmsd from N 0.000 %NC 0.00 0
- 93.688 87.383 145.623 7.487
- 91.913 73.737 138.885 -20.830
- 92.408 46.427 133.561 115.502
- 91.863 43.304 141.756 -90.073
- 90.957 43.869 117.180-115.969
- 91.642 46.766 146.706 -12.026
- 91.563 44.859 147.206-140.658
- 92.798 76.469 137.187-125.294
- 93.174 -97.543 107.789 -75.321
- 94.764 108.775 0.000 0.000
- 95.028 76.680 0.000 0.000
- 113.219 -38.259 91.340 -92.812
- 92.212 79.174 114.557 -76.232
- 92.321 -4.012 123.225 -81.735
- 114.472 -37.041 0.000 0.000
- 135.035 -77.556 143.245 -56.440
- 118.088-109.953 113.352-117.619
- 117.541-120.941 137.186-150.796
- 93.290 60.122 96.365-101.794
- 93.332 0.000 117.335 -75.447
- # 96 total E -1.70254E+02 rmsd from N 0.000 %NC 0.00 0
- 93.673 69.039 144.621 -24.152
- 92.612 127.090 147.411 -33.490
- 130.604 -92.673 94.232-104.137
- 92.777 48.027 148.189-100.840
- 91.165 44.265 107.079 -66.833
- 92.180 46.764 152.414 38.200
- 91.472 46.896 135.985-101.783
- 92.580 65.903 139.597-133.922
- 93.252-104.105 134.654-110.632
- 94.595 154.144 0.000 0.000
- 137.624 -59.016 0.000 0.000
- 118.425-139.023 115.457-119.421
- 125.144-149.336 121.789 -80.515
- 127.384 -99.710 119.662 -81.966
- 95.194 77.079 0.000 0.000
- 130.020 -79.730 111.990 -80.111
- 118.115-107.631 117.440-124.237
- 117.874-134.197 113.949-115.753
- 92.985 60.438 96.370-105.675
- 93.335 0.000 110.910 -80.168
- # 97 total E -1.71341E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 49.737 147.832 -26.540
- 91.919 77.728 129.629 -12.560
- 92.648 44.857 96.529 -86.555
- 91.962 43.308 148.373 -97.723
- 90.978 44.070 119.072-114.173
- 91.871 45.984 141.735 27.046
- 91.444 46.480 132.671-143.733
- 92.479 74.597 139.412-130.680
- 93.181-100.690 136.872-115.067
- 95.179 157.966 0.000 0.000
- 135.310 -72.187 0.000 0.000
- 118.217 -93.994 117.903-123.182
- 93.763 72.962 115.496 -76.703
- 124.517 -99.378 118.772 -80.402
- 95.041 155.058 0.000 0.000
- 129.261 -98.472 129.872 -41.178
- 118.023-107.323 116.234-120.520
- 117.687-136.875 120.928-125.625
- 93.197 60.448 130.056-153.451
- 93.333 0.000 114.320 -76.862
- # 98 total E -1.76815E+02 rmsd from N 0.000 %NC 0.00 0
- 93.691 90.684 144.995 13.114
- 91.888 74.785 140.758 -18.346
- 92.213 47.068 98.845 -77.757
- 91.602 43.529 148.560-100.446
- 90.824 44.026 120.675-113.197
- 91.670 45.944 156.385 121.435
- 91.416 63.949 142.039 -52.426
- 91.678 95.775 131.469-106.649
- 93.572 -42.241 141.651-125.645
- 96.158 84.208 0.000 0.000
- 133.207 -79.527 0.000 0.000
- 130.270 146.146 117.859-114.647
- 93.778 73.775 116.334 -74.684
- 94.319 46.238 115.026 -76.965
- 95.466 71.163 0.000 0.000
- 123.277 -89.156 118.932 -70.778
- 118.189-109.179 116.757-123.150
- 117.525-138.870 114.856-117.553
- 93.086 59.349 106.110-105.069
- 93.332 0.000 113.958 -77.591
- # 99 total E -1.81926E+02 rmsd from N 0.000 %NC 0.00 0
- 93.689 86.845 145.684 6.371
- 91.904 72.993 142.970 -22.603
- 92.123 48.194 122.558 109.328
- 91.499 42.274 143.293 -90.716
- 90.805 45.045 118.076-117.602
- 91.448 52.426 126.762 24.620
- 91.281 44.558 150.170-140.709
- 92.501 78.473 133.080-133.078
- 93.169 -70.865 139.911-126.007
- 95.096 165.030 0.000 0.000
- 135.867 -41.272 0.000 0.000
- 91.807 61.736 98.678-105.337
- 92.302 34.586 113.476 -77.158
- 95.049-109.905 113.173 -75.953
- 95.794 156.124 0.000 0.000
- 129.313 -90.954 135.008 -42.454
- 118.129-108.636 119.549-125.962
- 118.032-137.276 115.786-118.825
- 93.096 58.182 98.467 -93.424
- 93.338 0.000 114.402 -77.879
- # 100 total E -1.70108E+02 rmsd from N 0.000 %NC 0.00 0
- 93.693 90.652 144.439 13.691
- 91.862 77.458 141.072 -21.753
- 92.399 45.881 85.399 -83.226
- 91.668 45.741 146.433-104.311
- 90.777 44.484 122.283-114.920
- 91.442 48.099 160.573 123.852
- 91.434 55.165 131.155 -47.426
- 92.103 92.808 138.171-129.280
- 93.585 -46.001 146.921-132.662
- 96.050 94.600 0.000 0.000
- 133.979 -56.072 0.000 0.000
- 118.720-135.668 121.063-126.223
- 126.135-156.727 122.015 -80.704
- 126.702 -79.888 117.680 -82.545
- 127.574 -23.794 0.000 0.000
- 125.880 -77.511 89.119 -63.882
- 117.360-108.639 117.048-122.260
- 117.854-137.894 122.245-127.455
- 93.077 60.042 102.873-104.791
- 93.330 0.000 114.055 -77.255
- # 101 total E -1.67662E+02 rmsd from N 0.000 %NC 0.00 0
- 93.682 89.655 147.172 11.300
- 91.871 77.529 140.019 -17.909
- 92.174 49.110 98.007 -88.195
- 91.421 43.135 142.490 -96.539
- 90.796 45.537 120.082-115.639
- 91.435 47.091 153.635 119.290
- 91.341 49.354 140.288 -52.707
- 92.142 78.424 137.718-134.967
- 93.146 24.476 144.783-134.283
- 122.370-149.102 0.000 0.000
- 94.997 80.558 0.000 0.000
- 93.344 94.598 97.108-102.655
- 124.898-100.782 121.101 -80.340
- 122.735 -97.336 120.602 -79.499
- 122.696-177.267 0.000 0.000
- 129.322 -91.351 101.665 -56.996
- 117.246-108.190 120.779-128.177
- 118.117-139.967 112.333-113.507
- 92.971 59.971 102.985-107.690
- 93.333 0.000 111.319 -79.722
- # 102 total E -1.76486E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 49.197 147.955 -26.919
- 91.895 78.283 129.724 -4.066
- 92.474 47.142 96.546 -89.239
- 91.798 43.895 147.382 -96.235
- 90.922 42.661 119.634-119.331
- 91.600 49.590 140.848 37.055
- 91.514 44.062 138.178-150.445
- 92.716 75.699 136.570-132.003
- 93.248 -77.192 139.661-122.963
- 94.733 168.036 0.000 0.000
- 139.047 -39.958 0.000 0.000
- 109.129 -31.249 94.023 -96.680
- 92.027 94.874 114.553 -76.270
- 91.927 -18.793 111.624 -79.368
- 110.250 -39.052 0.000 0.000
- 130.957 -66.721 144.595 -57.973
- 118.080-113.582 112.201-115.856
- 118.626-138.604 125.392-131.994
- 92.688 68.518 100.969 -99.719
- 93.321 0.000 106.250 -80.638
- # 103 total E -1.70852E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 50.562 111.777 -82.403
- 92.362 154.038 133.855 -1.469
- 93.677 87.241 100.150 -69.825
- 93.244 3.876 169.255-166.047
- 91.331 -91.204 105.844 -49.277
- 112.959 164.617 103.827 -59.690
- 91.962 83.589 157.496 135.978
- 93.004 54.688 131.224-133.561
- 93.877 101.681 143.094-156.112
- 130.581 -17.104 0.000 0.000
- 125.767 -68.266 0.000 0.000
- 111.310 -52.572 96.518 -84.852
- 89.789 76.542 114.377 -75.853
- 90.694 2.017 114.063 -76.768
- 102.350 -71.225 0.000 0.000
- 129.652 -45.605 122.926-143.842
- 119.877-118.682 108.662-110.401
- 118.609-133.648 122.811-128.594
- 93.062 60.725 131.824-155.531
- 93.330 0.000 114.388 -76.842
- # 104 total E -1.75847E+02 rmsd from N 0.000 %NC 0.00 0
- 93.695 88.502 144.862 9.286
- 91.758 73.749 129.709 3.253
- 92.062 48.577 89.097 -87.278
- 91.530 43.676 146.803 -96.707
- 90.857 42.815 121.343-121.690
- 91.611 48.283 123.673 23.487
- 91.204 42.264 136.135-143.371
- 92.417 67.339 136.597-131.848
- 92.973 -59.782 133.016-119.417
- 120.038-166.913 0.000 0.000
- 134.956 -53.624 0.000 0.000
- 92.068 62.309 101.431-103.905
- 92.669 38.056 113.947 -76.812
- 95.027-110.330 112.969 -76.247
- 95.633 154.836 0.000 0.000
- 128.270 -89.424 152.375 -10.012
- 117.746-110.228 116.394-121.333
- 118.339-138.838 116.881-119.701
- 93.044 58.811 105.335 -98.536
- 93.333 0.000 114.502 -77.371
- # 105 total E -1.70584E+02 rmsd from N 0.000 %NC 0.00 0
- 93.633 48.179 110.567 -81.679
- 92.001 81.768 137.188 -11.512
- 92.409 46.244 103.561 -84.744
- 92.016 41.992 169.962-141.364
- 90.972 42.358 127.790-102.028
- 91.565 44.611 138.224 93.489
- 91.026 47.805 133.702-110.968
- 91.245 55.420 146.920-139.628
- 93.012 30.558 143.102-127.642
- 95.249 56.413 0.000 0.000
- 94.449 50.134 0.000 0.000
- 92.280 59.031 96.045-101.286
- 92.584 33.897 111.698 -78.559
- 110.856-104.754 115.485 -78.978
- 95.348 157.888 0.000 0.000
- 129.496 -94.864 111.736 -50.481
- 117.641-106.644 120.791-127.632
- 118.145-138.091 114.477-116.366
- 93.116 57.078 101.660-105.166
- 93.339 0.000 114.938 -77.849
- # 106 total E -1.76100E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 47.271 110.353 -81.562
- 92.003 79.644 135.865 -18.762
- 92.665 45.496 102.277 -84.822
- 92.167 41.621 150.815 -97.882
- 91.217 43.154 120.410-108.573
- 91.906 47.405 148.316 96.078
- 91.559 49.977 138.512-121.565
- 92.594 70.756 140.318-132.508
- 93.166 -52.757 143.607-125.916
- 118.526-155.709 0.000 0.000
- 95.170 59.034 0.000 0.000
- 95.115 112.922 97.577 -99.417
- 92.113 -31.818 132.608 -36.947
- 88.478 -56.454 113.604 -76.720
- 93.153 22.617 0.000 0.000
- 123.996 -91.942 139.002 -11.466
- 117.536-107.284 126.186-136.993
- 118.056-132.786 113.459-115.100
- 117.275-116.326 134.960-147.595
- 121.750 0.000 121.602 -80.586
- # 107 total E -1.70876E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.329 110.322 -81.624
- 92.020 80.221 140.090 -15.076
- 92.443 46.413 106.156 -76.779
- 91.909 42.583 152.532-101.977
- 91.078 41.279 122.800-111.028
- 91.624 47.287 150.842 100.464
- 91.355 55.937 140.770-126.698
- 91.634 83.385 140.283-122.666
- 94.168 -43.705 146.390-142.358
- 96.636 86.554 0.000 0.000
- 95.095 52.102 0.000 0.000
- 92.676 62.843 133.261-158.702
- 92.832 59.740 112.178 -78.220
- 114.615 -90.411 116.588 -80.498
- 95.555 163.836 0.000 0.000
- 129.126 -95.183 102.759 -57.086
- 117.894-109.578 119.526-126.286
- 118.089-120.164 111.907-112.988
- 117.923-114.932 122.156-127.376
- 121.605 0.000 120.467 -80.368
- # 108 total E -1.74139E+02 rmsd from N 0.000 %NC 0.00 0
- 93.640 37.423 104.817 -79.561
- 92.657 158.652 142.607 -6.809
- 93.352 84.532 107.436 -69.947
- 92.930 8.470 169.676-152.203
- 90.828 -96.139 96.653 -54.399
- 106.306 165.964 141.851-126.274
- 91.998 76.251 144.600 -15.441
- 93.757 81.383 127.911-128.555
- 92.711 -94.555 135.183-143.501
- 94.289 24.771 0.000 0.000
- 127.599 -51.271 0.000 0.000
- 115.236-170.087 119.069-125.114
- 130.124-146.289 146.284 173.825
- 123.001 -71.565 119.231 -78.425
- 95.406 67.817 0.000 0.000
- 127.729 -85.821 118.154-128.972
- 118.044-109.545 113.965-118.961
- 117.513-136.092 134.119-145.436
- 93.144 59.086 100.814 -97.246
- 93.333 0.000 114.610 -77.324
- # 109 total E -1.78631E+02 rmsd from N 0.000 %NC 0.00 0
- 93.658 48.212 147.806 -27.587
- 91.965 80.388 134.542 -10.787
- 92.461 46.118 98.299 -87.694
- 91.845 43.663 150.414 -99.887
- 91.068 42.094 121.253-115.539
- 91.878 49.988 115.997 24.504
- 91.549 38.909 138.554-126.452
- 92.951 83.476 133.089-120.918
- 94.892 -47.561 142.171-129.728
- 95.893 104.133 0.000 0.000
- 124.095 -27.901 0.000 0.000
- 92.768 67.007 100.532 -99.460
- 92.590 23.741 112.989 -71.607
- 95.956-114.294 115.082 -75.495
- 95.016 152.154 0.000 0.000
- 130.833 -97.184 116.530 -51.065
- 117.700-106.144 120.092-127.174
- 118.071-138.102 111.672-113.101
- 93.058 59.579 102.800-110.739
- 93.331 0.000 114.189 -77.343
- # 110 total E -1.69458E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 43.357 110.034 -83.408
- 92.554 167.494 143.244 171.840
- 94.195 90.725 108.123 -68.296
- 92.221 0.869 170.474-165.328
- 90.725 -90.087 137.210-119.245
- 103.014-174.859 132.787 -16.958
- 128.450-156.993 147.633 166.439
- 113.210 -40.933 158.550-165.831
- 95.004 -72.737 150.299 -22.364
- 94.822 63.119 0.000 0.000
- 94.755 61.276 0.000 0.000
- 114.214 173.928 131.709-145.930
- 122.813-173.939 119.723 -80.032
- 131.574 -89.947 155.799 -27.281
- 124.744 -36.838 0.000 0.000
- 123.043 -88.983 121.859 80.894
- 117.769-108.036 135.366-148.721
- 118.038-136.662 114.575-116.166
- 93.096 59.039 101.360-104.009
- 93.328 0.000 114.250 -77.359
- # 111 total E -1.75627E+02 rmsd from N 0.000 %NC 0.00 0
- 93.663 123.407 109.313 -80.225
- 122.078-108.568 155.716 -22.574
- 92.597 48.106 122.075 -40.892
- 91.566 50.962 164.255 110.128
- 90.728 42.785 114.171 -67.173
- 91.451 47.186 121.982-122.500
- 91.295 61.052 146.841-127.258
- 91.914 85.580 130.578-109.945
- 94.327 -39.645 136.095-126.558
- 96.049 96.127 0.000 0.000
- 128.487 -22.019 0.000 0.000
- 93.073 61.461 95.763 -88.497
- 92.638 47.809 114.695 -72.215
- 93.197 50.399 112.966 -77.639
- 94.642 66.095 0.000 0.000
- 119.563 -77.405 128.768-110.808
- 117.981-107.845 117.132-123.815
- 117.960-137.618 116.057-118.782
- 93.085 59.345 101.794-104.044
- 93.332 0.000 114.434 -77.250
- # 112 total E -1.76686E+02 rmsd from N 0.000 %NC 0.00 0
- 93.661 50.222 147.629 -25.962
- 91.993 76.300 134.321 -23.678
- 92.650 44.491 98.803 -82.701
- 92.087 42.777 148.156 -96.644
- 91.046 42.374 118.685-109.756
- 91.675 47.785 160.371 36.976
- 91.355 44.096 136.117-144.763
- 92.442 68.226 138.073-131.842
- 92.913 -36.784 135.210-108.738
- 121.536-119.684 0.000 0.000
- 94.558 74.460 0.000 0.000
- 93.010 129.401 93.766 -96.302
- 93.660 66.300 112.459 -79.475
- 94.083 39.038 114.858 -77.114
- 95.603 66.571 0.000 0.000
- 124.953 -86.978 122.424 -85.980
- 117.847-108.088 120.359-128.274
- 117.818-139.536 113.701-115.801
- 93.021 53.406 101.916-102.746
- 93.350 0.000 114.623 -79.927
- # 113 total E -1.76708E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.079 110.175 -81.490
- 92.002 79.306 140.579 -22.578
- 92.539 46.899 101.826 -82.687
- 91.809 43.377 151.069 -98.813
- 90.873 43.158 115.703 -33.193
- 91.676 46.286 155.137 120.993
- 91.544 59.232 136.166 -60.787
- 92.298 92.218 137.730-115.611
- 93.815 23.453 142.648-109.108
- 142.492-104.483 0.000 0.000
- 133.802 -32.499 0.000 0.000
- 108.676 -30.842 95.326 -87.571
- 91.771 94.786 114.648 -76.156
- 91.870 -17.696 109.939 -78.265
- 108.943 -39.142 0.000 0.000
- 130.865 -68.008 114.810-125.193
- 118.538-112.921 112.622-116.616
- 117.775-137.745 124.802-132.469
- 93.041 60.063 134.113-157.062
- 93.330 0.000 114.539 -76.794
- # 114 total E -1.77315E+02 rmsd from N 0.000 %NC 0.00 0
- 93.641 37.088 104.864 -79.668
- 92.632 158.466 141.361 -7.061
- 93.361 85.838 114.146 -86.299
- 93.088 6.738 172.146 171.133
- 91.157 -93.547 98.987 -56.438
- 108.543 166.598 152.065-118.319
- 91.974 75.912 144.640 -12.825
- 93.796 82.845 134.534-126.339
- 92.340 -93.013 139.154-124.033
- 94.074 22.600 0.000 0.000
- 127.219 -51.528 0.000 0.000
- 115.505-167.922 122.403-129.981
- 127.694-179.506 136.919 27.040
- 94.096 88.573 115.976 -76.215
- 96.012 85.075 0.000 0.000
- 124.601-104.925 107.178 -47.782
- 118.304-106.590 121.464-128.306
- 117.828-142.096 113.614-115.636
- 93.046 54.918 103.033-104.262
- 93.341 0.000 114.385 -79.120
- # 115 total E -1.78895E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 49.806 148.042 -26.700
- 91.897 78.551 130.404 -4.504
- 92.439 47.466 97.946 -88.505
- 91.660 43.831 145.039 -94.985
- 90.869 43.679 120.036-119.638
- 91.586 46.274 144.253 44.952
- 91.306 50.428 134.216 -41.916
- 92.291 68.016 142.977-136.380
- 94.534 85.169 136.955-119.455
- 135.026 -82.396 0.000 0.000
- 127.917 -57.762 0.000 0.000
- 112.720 -48.528 95.012 -83.974
- 90.917 85.314 114.635 -75.923
- 91.433 -7.523 113.159 -78.022
- 106.627 -50.476 0.000 0.000
- 133.756 -59.855 111.822-122.865
- 119.642-113.422 110.947-115.738
- 117.990-140.589 124.322-130.813
- 92.962 59.690 131.858-155.409
- 93.331 0.000 114.531 -76.823
- # 116 total E -1.83487E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 48.006 110.416 -81.569
- 92.000 82.421 140.807 -12.266
- 92.475 46.887 102.740 -84.171
- 91.797 40.886 150.641-101.593
- 91.096 45.552 123.033-111.409
- 91.874 44.344 142.519 89.955
- 91.561 48.772 133.521-115.191
- 92.257 63.437 140.345-131.786
- 93.212 150.205 137.674-130.763
- 94.636 118.017 0.000 0.000
- 130.663 -57.935 0.000 0.000
- 128.529 106.706 114.543-111.499
- 92.507 -31.912 115.684 -80.112
- 90.567 -48.218 114.631 -76.072
- 93.687 68.842 0.000 0.000
- 128.465-115.500 159.079 83.602
- 117.717-107.031 122.340-133.600
- 117.840-139.089 120.839-123.876
- 93.094 60.060 136.618-162.169
- 93.329 0.000 114.536 -76.723
- # 117 total E -1.70228E+02 rmsd from N 0.000 %NC 0.00 0
- 93.663 48.613 147.090 -26.689
- 92.560 80.468 139.547 -34.158
- 94.243 117.782 95.442 -93.809
- 122.549 101.568 134.151-117.302
- 91.719 31.969 142.554-161.320
- 115.785-165.724 143.959 15.554
- 123.720-159.074 146.681-170.294
- 113.716 -44.925 147.158 160.676
- 94.739 -70.851 148.271 -25.601
- 94.825 62.006 0.000 0.000
- 94.756 62.831 0.000 0.000
- 115.870 175.067 131.302-143.848
- 126.545-158.908 158.762 -49.870
- 128.228 -21.170 151.977 -45.919
- 136.803 -24.901 0.000 0.000
- 126.583 -64.788 141.051 129.574
- 117.904-112.682 115.285-121.071
- 117.396-135.641 132.763-142.828
- 93.095 59.251 101.043 -98.008
- 93.329 0.000 114.588 -77.332
- # 118 total E -1.81728E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.705 110.310 -81.500
- 92.002 78.536 137.072 -20.019
- 92.594 46.003 97.975 -79.705
- 92.097 42.006 148.209-102.268
- 90.925 43.920 120.890-105.973
- 91.637 45.120 153.179 -11.249
- 91.265 54.030 137.088-127.807
- 91.943 49.961 116.279 -98.517
- 93.554-118.142 104.528 -83.397
- 94.667 151.931 0.000 0.000
- 137.152 -62.199 0.000 0.000
- 92.751 66.525 132.927-157.608
- 92.565 60.410 117.440 -76.173
- 93.035 44.861 125.787-127.959
- 94.387 60.366 0.000 0.000
- 114.537 -66.464 120.556-114.883
- 117.661-106.482 117.404-124.361
- 118.142-137.465 115.718-118.304
- 93.122 58.051 97.589-101.621
- 93.336 0.000 114.471 -77.872
- # 119 total E -1.75086E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.211 147.932 -27.489
- 91.915 77.623 129.418 -8.879
- 92.502 47.840 97.696 -88.567
- 91.814 42.213 152.004 -97.405
- 90.932 44.882 119.672-113.152
- 91.764 48.769 118.411 59.090
- 91.310 48.508 136.419-122.293
- 92.311 53.956 137.846-134.740
- 93.592 174.265 142.815-129.227
- 121.957 164.790 0.000 0.000
- 133.027 -67.749 0.000 0.000
- 112.360 -48.119 94.794 -85.630
- 91.257 83.765 114.653 -75.992
- 91.802 -6.092 112.150 -77.717
- 111.089 -39.766 0.000 0.000
- 133.136 -73.977 136.568-153.972
- 118.846-111.765 112.881-116.778
- 117.665-137.237 132.393-142.336
- 93.079 58.841 101.420 -99.124
- 93.334 0.000 114.646 -77.341
- # 120 total E -1.68190E+02 rmsd from N 0.000 %NC 0.00 0
- 93.638 35.358 104.845 -80.059
- 92.405 155.558 132.290 -4.024
- 93.637 87.166 98.686 -73.518
- 93.250 3.742 169.493-162.451
- 91.449 -90.675 107.730 -51.384
- 113.660 168.300 135.272 -54.285
- 92.144 80.879 147.915 -15.981
- 92.771 92.862 101.212-109.523
- 93.285 -71.998 98.809 -78.546
- 94.680 162.953 0.000 0.000
- 135.689 -57.674 0.000 0.000
- 92.518 61.374 100.503-104.839
- 92.752 51.288 114.311 -75.034
- 93.313 51.859 112.807 -78.288
- 94.763 66.614 0.000 0.000
- 119.957 -78.507 126.002-118.420
- 117.990-107.926 117.296-123.996
- 117.980-137.370 116.036-118.734
- 93.093 59.399 101.684-103.920
- 93.333 0.000 114.424 -77.252
- # 121 total E -1.72475E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 35.002 104.584 -79.984
- 92.499 156.587 132.261 -11.696
- 93.558 84.146 99.788 -73.383
- 92.970 6.969 168.369-158.674
- 90.856 -95.370 122.822 -46.232
- 110.710 168.028 144.992 -34.682
- 92.046 79.095 144.554 -12.815
- 93.772 79.892 111.732-110.451
- 92.783 -95.189 99.410 -81.288
- 93.983 25.285 0.000 0.000
- 126.858 -50.447 0.000 0.000
- 116.909-165.639 123.569-130.511
- 127.328-163.526 136.010 1.457
- 94.254 22.122 115.978 -76.154
- 129.158-137.304 0.000 0.000
- 129.351 -82.484 136.559-153.334
- 117.966-108.481 118.827-126.605
- 118.077-137.023 115.512-117.782
- 93.097 59.498 101.614-103.700
- 93.331 0.000 114.403 -77.243
- # 122 total E -1.77495E+02 rmsd from N 0.000 %NC 0.00 0
- 93.672 51.113 145.338 -24.167
- 92.688 125.127 147.767 -29.761
- 130.613 -92.928 98.426 -94.018
- 92.862 48.674 145.160 -97.774
- 91.120 43.677 119.309 -79.311
- 91.880 48.858 119.439 -26.961
- 91.410 46.983 143.167-100.887
- 92.578 64.744 137.727-131.561
- 93.572-107.318 109.414 -80.509
- 94.793 155.142 0.000 0.000
- 136.242 -62.462 0.000 0.000
- 92.578 62.192 105.590-111.205
- 92.548 57.907 120.703 -79.325
- 92.998 44.888 113.482 -80.179
- 94.253 58.985 0.000 0.000
- 113.543 -64.800 121.322-109.906
- 117.638-106.150 117.372-124.400
- 118.309-137.721 115.113-117.365
- 93.074 59.096 100.427-106.211
- 93.332 0.000 114.378 -77.417
- # 123 total E -1.71990E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 48.774 147.959 -27.266
- 91.934 79.320 131.583 -8.562
- 92.449 48.174 100.230 -88.823
- 91.689 43.260 151.075 -98.795
- 90.924 44.872 120.327-115.446
- 91.771 47.179 118.085 49.357
- 91.292 47.897 133.550-130.481
- 91.963 59.634 138.777-133.969
- 92.758 111.884 141.176-119.556
- 94.740 91.205 0.000 0.000
- 94.817 92.161 0.000 0.000
- 130.683 65.250 104.854 -99.206
- 92.798 -44.255 123.242-114.716
- 92.227 -36.087 115.316 -76.179
- 95.107 81.692 0.000 0.000
- 131.190 -93.409 120.146 -51.643
- 119.598-107.244 120.891-126.374
- 117.902-136.123 113.575-117.380
- 93.186 60.804 129.538-152.929
- 93.328 0.000 114.238 -76.798
- # 124 total E -1.77439E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 48.311 110.282 -81.334
- 92.005 79.847 133.142 -22.797
- 92.824 48.147 90.084 -81.600
- 92.451 41.139 147.328-100.938
- 91.035 52.253 122.554 -61.232
- 92.366 53.325 152.402 -14.189
- 92.553 115.009 127.348-154.665
- 90.512 -25.933 142.146-144.072
- 89.753 -58.867 143.447-117.621
- 93.439 13.670 0.000 0.000
- 111.873 -56.454 0.000 0.000
- 93.459 -29.060 133.159-159.848
- 94.019 99.231 115.442 -76.438
- 129.912-119.913 120.175 -80.673
- 95.241 151.098 0.000 0.000
- 128.745 -80.176 134.462 -68.136
- 118.049-106.438 119.929-127.490
- 118.359-136.795 113.337-115.261
- 93.124 58.347 99.836-102.320
- 93.338 0.000 114.281 -77.961
- # 125 total E -1.74133E+02 rmsd from N 0.000 %NC 0.00 0
- 93.667 121.928 147.098 -34.493
- 119.898-115.487 146.110 -29.246
- 92.561 54.533 143.094 -98.759
- 91.622 50.450 144.318-100.146
- 91.096 41.148 108.477 -71.125
- 91.840 48.649 110.164-111.178
- 91.404 44.532 136.959-136.815
- 92.133 83.040 138.956-135.002
- 94.686 -43.467 150.126-137.375
- 96.950 84.885 0.000 0.000
- 95.110 45.061 0.000 0.000
- 92.360 54.691 131.286-156.096
- 91.875 52.227 111.891 -77.274
- 92.808 51.789 111.722 -78.626
- 94.716 66.464 0.000 0.000
- 119.546 -78.787 126.312-122.702
- 117.996-107.893 117.308-123.970
- 117.993-137.468 116.084-118.797
- 93.090 59.457 101.665-103.740
- 93.332 0.000 114.429 -77.252
- # 126 total E -1.70708E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 44.116 110.273 -82.068
- 92.024 72.690 145.532-136.596
- 92.197 56.238 122.129 -33.589
- 91.573 45.612 151.179-101.266
- 90.701 45.109 110.923 -69.968
- 91.486 50.432 124.245-126.644
- 91.269 56.668 136.064 -67.675
- 91.850 71.856 136.545-128.923
- 93.357 42.493 105.512 -82.385
- 129.083 -32.889 0.000 0.000
- 126.311 -58.974 0.000 0.000
- 117.003 -83.221 120.307-125.664
- 92.928 74.002 116.033 -76.347
- 94.336 43.719 113.709 -77.235
- 95.624 72.302 0.000 0.000
- 125.899 -84.592 133.030-139.875
- 117.702-107.854 112.752-118.242
- 118.194-133.746 113.115-115.015
- 117.313-116.135 133.658-145.630
- 121.704 0.000 121.519 -80.388
- # 127 total E -1.73890E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.881 147.969 -27.206
- 91.917 77.716 131.635 -7.449
- 92.518 46.052 100.141 -86.561
- 91.792 42.302 150.439 -98.659
- 90.985 43.714 121.026-113.740
- 91.788 46.017 128.412 85.739
- 91.280 43.520 133.966-130.135
- 91.679 61.257 138.395-133.582
- 93.005 43.424 142.025-147.888
- 95.464 67.435 0.000 0.000
- 131.257 -63.042 0.000 0.000
- 93.020 71.658 101.279-101.325
- 93.628 -1.554 114.260 -76.200
- 126.016-148.378 121.096 -77.943
- 94.801 138.600 0.000 0.000
- 129.745 -88.162 130.166 -77.650
- 118.303-108.561 119.869-127.281
- 118.090-117.262 112.959-114.761
- 117.867-116.213 116.690-119.988
- 121.733 0.000 121.486 -80.610
- # 128 total E -1.75218E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.790 147.938 -27.190
- 91.901 77.959 129.615 -3.115
- 92.440 48.012 97.080 -89.534
- 91.753 43.339 150.119 -99.005
- 90.920 44.080 119.860-118.159
- 91.741 46.271 129.264 34.544
- 91.333 45.808 134.147-132.305
- 92.385 63.333 139.295-133.175
- 93.097 -77.998 134.887-110.587
- 123.403 -79.140 0.000 0.000
- 132.074 -50.706 0.000 0.000
- 92.626 64.351 100.775-103.066
- 93.175 54.352 113.512 -76.733
- 93.337 50.542 118.216 -78.058
- 94.788 66.608 0.000 0.000
- 120.113 -77.847 126.341-117.296
- 117.959-107.979 117.250-123.955
- 117.974-137.506 116.103-118.824
- 93.087 59.364 101.698-103.816
- 93.332 0.000 114.433 -77.251
- # 129 total E -1.73225E+02 rmsd from N 0.000 %NC 0.00 0
- 93.663 122.905 109.122 -80.600
- 122.417-107.858 155.973 -21.879
- 92.486 51.319 121.008 -38.469
- 91.627 47.920 167.778-127.883
- 90.809 45.285 111.948 -70.325
- 91.706 48.495 124.092-124.091
- 91.730 54.387 139.683 -82.013
- 92.546 99.537 141.585-134.336
- 127.868 -5.075 155.738-146.604
- 131.189 -28.654 0.000 0.000
- 127.344 -61.456 0.000 0.000
- 100.968 -29.662 131.197-152.103
- 91.243 96.563 115.230 -76.117
- 91.222 -16.759 112.956 -76.938
- 99.682 -66.715 0.000 0.000
- 126.175 -47.247 115.890-121.405
- 118.264-110.719 112.472-118.188
- 118.270-139.425 120.166-125.292
- 92.989 60.106 129.659-152.180
- 93.330 0.000 114.408 -76.838
- # 130 total E -1.70093E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 48.007 110.416 -81.569
- 92.003 81.408 136.687 -12.345
- 92.436 47.520 102.023 -85.783
- 91.840 41.687 149.700-100.760
- 91.094 44.541 122.366-112.076
- 91.854 45.310 138.280 95.154
- 91.372 54.346 135.152-121.084
- 91.732 65.590 141.622-130.849
- 92.729 77.797 144.645-135.888
- 95.102 74.934 0.000 0.000
- 127.450 -94.965 0.000 0.000
- 124.925 17.733 108.559-106.059
- 92.212 -52.601 115.082 -80.739
- 91.430 -5.631 115.155 -76.106
- 122.322 -21.887 0.000 0.000
- 120.475 -71.959 135.897 144.233
- 117.763-109.639 114.483-119.847
- 117.800-136.694 122.787-128.850
- 93.117 59.083 101.290 -99.980
- 93.332 0.000 114.605 -77.287
- # 131 total E -1.73499E+02 rmsd from N 0.000 %NC 0.00 0
- 93.653 47.291 148.078 -28.396
- 91.993 80.930 135.605 -10.065
- 92.418 46.522 97.710 -76.630
- 92.317 41.836 164.804-123.118
- 91.157 43.071 124.674-106.663
- 91.892 45.618 142.071 23.260
- 91.629 47.608 133.371-115.192
- 92.628 71.337 142.914-130.179
- 93.178 -98.626 134.264-115.410
- 94.605 157.390 0.000 0.000
- 137.212 -59.901 0.000 0.000
- 93.534 78.151 100.400-106.854
- 131.387-106.567 122.028 -82.174
- 127.118 -77.195 121.853 -80.116
- 95.133 168.020 0.000 0.000
- 130.788 -88.553 91.033 -63.070
- 117.579-106.218 120.344-127.674
- 118.005-137.075 111.653-113.166
- 93.151 57.661 101.632-109.947
- 93.336 0.000 115.396 -77.255
- # 132 total E -1.75053E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.876 110.467 -81.672
- 91.997 79.950 136.498 -14.186
- 92.533 46.162 101.203 -77.981
- 92.102 42.281 151.034 -96.897
- 91.098 41.748 122.310-108.874
- 91.722 49.693 125.930 -24.308
- 91.423 41.659 142.056-115.512
- 92.139 81.938 136.440-137.812
- 94.640 -43.686 143.370-129.438
- 96.870 86.607 0.000 0.000
- 95.077 45.778 0.000 0.000
- 92.926 59.674 132.987-157.537
- 93.047 38.486 111.977 -77.709
- 114.645-104.436 116.274 -79.677
- 95.408 160.158 0.000 0.000
- 129.031 -99.493 108.351 -50.987
- 117.925-107.506 120.856-127.633
- 118.212-137.864 114.001-115.892
- 93.059 52.084 98.970 -99.595
- 93.356 0.000 115.539 -80.126
- # 133 total E -1.69254E+02 rmsd from N 0.000 %NC 0.00 0
- 93.695 124.299 146.979 -21.480
- 118.478-116.884 145.380 -31.181
- 92.612 51.741 141.605 -91.854
- 91.647 48.221 145.082 -96.247
- 91.184 39.762 96.426 -55.839
- 91.803 50.492 103.289 -65.189
- 91.424 39.948 146.413-103.186
- 92.141 81.075 136.397-140.946
- 94.731 -43.046 148.673 -37.965
- 96.927 86.816 0.000 0.000
- 95.025 47.302 0.000 0.000
- 92.755 57.879 134.889-160.069
- 92.954 44.835 111.815 -77.725
- 115.289-101.968 115.916 -80.144
- 95.571 161.895 0.000 0.000
- 128.589 -98.057 122.661 -49.296
- 118.359-108.346 118.454-124.771
- 118.061-137.168 113.118-114.766
- 93.141 59.798 127.091-149.122
- 93.332 0.000 113.829 -77.623
- # 134 total E -1.74914E+02 rmsd from N 0.000 %NC 0.00 0
- 93.671 95.514 148.032 -13.510
- 92.617 125.720 142.318 -39.742
- 130.907 -92.319 94.855 -97.348
- 92.798 48.512 147.348-103.105
- 91.120 45.954 113.784 -36.859
- 91.981 46.392 138.114 102.245
- 91.190 52.559 136.060-109.828
- 91.973 58.963 140.329-135.139
- 93.213 133.102 147.398-126.942
- 130.293 -49.227 0.000 0.000
- 126.585 -56.036 0.000 0.000
- 106.300 -32.648 95.920 -88.904
- 91.219 95.716 114.537 -76.109
- 91.421 -17.143 110.287 -78.646
- 104.197 -52.520 0.000 0.000
- 130.209 -52.929 121.466 -66.054
- 119.927-113.963 113.446-115.115
- 118.463-138.585 120.619-126.699
- 93.001 59.105 106.402-111.227
- 93.333 0.000 114.429 -77.298
- # 135 total E -1.69992E+02 rmsd from N 0.000 %NC 0.00 0
- 93.689 94.118 143.474 -14.778
- 92.670 122.783 142.664 -41.863
- 130.213 -97.435 97.313-100.589
- 92.949 48.642 149.563-102.451
- 91.250 45.265 107.419 -43.881
- 92.146 47.660 134.241 96.234
- 91.282 42.384 134.692-113.124
- 91.872 61.811 136.047-135.413
- 93.313 40.985 144.475-144.530
- 95.621 68.111 0.000 0.000
- 130.739 -63.711 0.000 0.000
- 92.981 71.732 101.314-101.503
- 93.770 -4.665 114.506 -76.153
- 129.292-149.576 122.184 -78.760
- 94.759 143.088 0.000 0.000
- 130.573 -87.265 128.117 -69.731
- 118.641-106.556 113.674-118.414
- 117.578-136.674 116.660-120.683
- 93.090 58.483 102.220-105.271
- 93.337 0.000 114.451 -77.739
- # 136 total E -1.68756E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 48.884 110.713 -81.632
- 91.933 79.997 131.495 -10.516
- 92.509 46.469 89.549 -86.390
- 91.970 44.103 147.312 -96.748
- 90.989 42.753 121.697-115.751
- 91.738 48.590 133.895 -16.318
- 91.617 44.227 139.447-138.732
- 92.815 86.262 136.110-126.134
- 93.371 -90.065 106.462 -78.415
- 94.910 97.167 0.000 0.000
- 95.008 72.166 0.000 0.000
- 112.034 -35.141 92.060 -93.107
- 92.081 81.099 114.379 -76.264
- 92.077 -6.352 125.443-116.808
- 113.281 -42.583 0.000 0.000
- 133.731 -73.808 143.406-172.424
- 117.768-113.097 113.142-117.801
- 117.809-113.182 135.085-147.433
- 117.916-116.186 114.877-117.131
- 121.746 0.000 121.461 -80.596
- # 137 total E -1.69335E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 93.034 150.091 -16.534
- 92.619 127.932 134.607 -35.212
- 130.625 -92.966 94.489 -98.310
- 92.735 49.986 146.602-105.559
- 91.064 45.297 113.024 -37.959
- 91.758 50.043 148.303 108.751
- 91.324 57.538 145.980-105.189
- 91.939 75.675 138.367-134.259
- 93.340 32.659 145.839-133.370
- 127.579 -28.203 0.000 0.000
- 126.457 -60.485 0.000 0.000
- 116.923 -83.566 120.074-125.356
- 92.901 72.932 115.916 -76.388
- 94.321 44.906 113.693 -77.202
- 95.654 70.873 0.000 0.000
- 125.071 -89.304 131.718-138.595
- 117.633-107.652 117.931-125.815
- 118.512-138.224 115.597-117.450
- 93.111 60.379 134.473-157.823
- 93.329 0.000 114.355 -76.774
- # 138 total E -1.69128E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 46.417 109.804 -81.515
- 92.015 88.114 145.181 -16.844
- 92.539 46.584 109.099 -67.973
- 92.022 45.007 148.844 -91.367
- 91.092 44.274 122.784-121.410
- 91.770 46.554 118.508 -56.105
- 91.668 47.934 138.973-123.078
- 92.706 80.122 140.912-134.461
- 93.313 12.570 148.315-120.094
- 130.224 -75.442 0.000 0.000
- 120.963 -22.659 0.000 0.000
- 116.325-137.436 124.651-132.511
- 129.740-145.714 156.058 -76.558
- 122.156 -52.067 120.818 -79.543
- 95.238 169.345 0.000 0.000
- 128.735 -82.308 130.302 -80.486
- 117.920-109.905 113.471-118.983
- 118.565-138.178 114.557-116.707
- 93.035 58.828 98.724-106.485
- 93.334 0.000 114.431 -77.494
- # 139 total E -1.73174E+02 rmsd from N 0.000 %NC 0.00 0
- 93.682 91.309 146.343 14.557
- 91.767 77.918 129.908 1.472
- 92.148 49.936 94.758 -83.924
- 91.727 43.204 146.301 -98.871
- 90.889 43.643 121.659-121.628
- 91.528 46.995 138.830 22.461
- 91.443 49.473 135.721-150.551
- 92.353 72.414 139.081-129.579
- 92.887 -99.858 134.929-117.362
- 94.724 124.752 0.000 0.000
- 135.277 -57.969 0.000 0.000
- 117.622-140.186 120.491-126.641
- 126.980-163.461 122.451 -81.042
- 127.755 -93.283 119.279 -81.452
- 95.157 161.878 0.000 0.000
- 130.820 -95.204 110.854 -85.947
- 118.097-107.986 112.600-117.642
- 117.700-136.726 115.640-118.666
- 93.212 59.831 130.336-153.823
- 93.332 0.000 114.439 -77.062
- # 140 total E -1.70994E+02 rmsd from N 0.000 %NC 0.00 0
- 93.665 89.669 148.726 -16.518
- 92.627 130.768 149.478 -27.184
- 130.217 -90.326 94.316-101.386
- 92.920 47.452 150.637-100.821
- 91.163 40.795 109.487 -42.435
- 91.963 50.749 153.150 113.716
- 91.496 54.510 144.592 -85.054
- 92.085 75.955 138.009-121.866
- 93.563 21.480 143.871-129.876
- 140.878-122.118 0.000 0.000
- 134.036 -28.028 0.000 0.000
- 109.603 -29.854 94.988 -86.902
- 91.901 93.996 114.694 -76.164
- 91.945 -16.671 109.808 -78.096
- 109.965 -38.439 0.000 0.000
- 131.466 -68.796 137.540 -99.505
- 118.504-112.721 105.834-108.854
- 117.448-142.026 127.338-136.992
- 93.025 58.445 109.104-103.923
- 93.333 0.000 114.518 -77.304
- # 141 total E -1.69716E+02 rmsd from N 0.000 %NC 0.00 0
- 93.647 88.490 151.776 -21.639
- 92.577 128.984 142.854 -36.307
- 131.178 -91.322 92.543-101.122
- 92.814 50.984 146.837-101.650
- 91.122 46.027 110.066 -38.716
- 92.184 46.987 156.501 103.796
- 91.681 60.586 137.658-109.147
- 92.979 93.211 139.437-125.381
- 92.661 -99.977 144.066-143.164
- 95.267 31.175 0.000 0.000
- 136.480 -68.677 0.000 0.000
- 116.116 -82.045 118.433-123.742
- 92.739 73.728 120.602 -77.575
- 94.208 43.596 113.493 -77.287
- 95.434 70.583 0.000 0.000
- 122.982 -77.530 128.547-124.394
- 117.393-105.293 115.832-122.871
- 117.591-137.597 113.183-114.787
- 93.202 60.500 126.661-149.638
- 93.328 0.000 114.247 -76.856
- # 142 total E -1.67942E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 48.409 148.118 -27.523
- 91.913 78.239 131.380 -3.594
- 92.379 47.631 94.406 -80.971
- 91.968 42.975 151.319-100.535
- 91.049 42.821 121.445-117.096
- 91.948 45.654 139.816 22.289
- 91.631 47.601 134.431-125.529
- 92.628 72.792 141.656-132.208
- 93.141 -97.649 134.699-116.361
- 94.673 157.663 0.000 0.000
- 136.774 -61.535 0.000 0.000
- 93.500 76.443 100.437-107.337
- 131.623-102.775 122.117 -81.827
- 126.301 -76.038 121.633 -80.000
- 95.171 167.734 0.000 0.000
- 130.580 -90.459 92.514 -62.630
- 117.583-107.986 120.445-127.936
- 117.968-118.824 110.627-111.494
- 117.744-110.521 121.758-128.686
- 94.582 0.000 116.124 -77.173
- # 143 total E -1.72509E+02 rmsd from N 0.000 %NC 0.00 0
- 93.640 39.920 105.908 -79.431
- 92.552 156.389 136.880 -6.915
- 93.445 85.103 106.192 -72.760
- 92.998 8.745 168.374-149.960
- 90.940 -97.307 99.294 -44.666
- 104.059 177.332 137.306-137.175
- 92.371 46.178 139.150 -16.934
- 94.214 98.218 135.877-115.885
- 91.727 -38.663 141.722 178.025
- 94.414 -56.543 0.000 0.000
- 93.932 27.450 0.000 0.000
- 125.978 172.615 114.405-112.940
- 132.968-166.230 141.807 170.886
- 122.410 179.598 121.491 -78.854
- 95.225 83.487 0.000 0.000
- 127.292 -84.115 117.894 -54.702
- 117.904-107.696 118.383-124.509
- 117.928-136.969 114.983-117.100
- 93.185 60.558 129.824-153.378
- 93.329 0.000 114.338 -76.794
- # 144 total E -1.72903E+02 rmsd from N 0.000 %NC 0.00 0
- 93.668 124.315 109.979 -79.512
- 120.469-109.588 144.799 -25.837
- 92.338 61.030 140.434 -94.458
- 91.548 45.549 144.518-102.203
- 90.933 46.628 106.038 -81.053
- 91.955 46.993 117.902-122.697
- 91.509 62.033 136.583-119.024
- 91.755 99.777 136.425-116.835
- 93.465 -47.580 140.362-124.087
- 95.945 83.175 0.000 0.000
- 133.658 -83.559 0.000 0.000
- 129.820 141.220 116.227-112.888
- 93.753 78.371 119.126 -76.731
- 94.458 41.803 115.065 -77.035
- 95.479 66.423 0.000 0.000
- 122.387 -85.292 96.358 -63.243
- 117.031-107.695 119.069-126.245
- 117.641-143.726 113.379-115.324
- 92.996 58.366 101.094-104.254
- 93.337 0.000 111.535 -79.990
- # 145 total E -1.73105E+02 rmsd from N 0.000 %NC 0.00 0
- 93.629 47.553 110.466 -81.551
- 92.002 84.671 142.486 -7.093
- 92.268 47.641 103.318 -84.581
- 91.637 41.831 149.582 -99.901
- 90.880 44.866 130.934-106.945
- 91.494 48.042 122.630 113.803
- 90.973 57.764 140.844-113.681
- 91.678 87.635 123.460-109.054
- 94.635 -38.292 153.170 -13.911
- 96.099 100.258 0.000 0.000
- 127.050 -30.873 0.000 0.000
- 93.619 65.896 97.128-100.878
- 131.268 -74.378 128.283 -76.741
- 126.196 -72.428 121.543 -80.063
- 95.457 164.396 0.000 0.000
- 128.658 -87.750 92.863 -60.406
- 117.559-107.359 120.946-128.103
- 118.432-141.024 113.171-114.551
- 92.891 61.187 102.077 -99.781
- 93.332 0.000 110.199 -80.137
- # 146 total E -1.67923E+02 rmsd from N 0.000 %NC 0.00 0
- 93.652 48.082 148.004 -27.733
- 91.897 78.311 130.309 -1.460
- 92.391 48.578 98.690 -88.940
- 91.705 42.952 150.199 -98.311
- 90.966 44.475 122.908-117.108
- 91.846 44.308 126.392 81.467
- 91.383 49.817 131.500-131.180
- 92.233 53.784 143.091-135.609
- 93.161 89.958 150.653 -8.811
- 128.923 11.754 0.000 0.000
- 134.156 -60.244 0.000 0.000
- 121.728 -75.462 109.974-108.972
- 91.938 99.028 115.317 -76.671
- 93.874 -34.809 113.671 -79.072
- 96.800 52.502 0.000 0.000
- 141.850-118.419 176.440-165.071
- 119.854-107.351 113.256-117.473
- 119.123-140.250 122.057-126.505
- 92.872 59.302 112.323-120.903
- 93.331 0.000 114.372 -77.160
- # 147 total E -1.75442E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 44.412 110.270 -82.075
- 92.023 72.843 145.611-136.868
- 92.185 56.703 121.998 -33.368
- 91.597 45.378 150.153-100.619
- 90.719 45.018 110.774 -70.591
- 91.503 50.413 124.100-126.653
- 91.281 56.401 135.914 -65.434
- 91.870 70.716 136.567-129.299
- 93.370 44.735 105.681 -82.031
- 129.676 -35.658 0.000 0.000
- 126.460 -58.235 0.000 0.000
- 116.983 -82.793 120.280-125.628
- 92.927 74.024 115.940 -76.355
- 94.338 42.877 113.712 -77.238
- 95.621 73.124 0.000 0.000
- 126.236 -83.009 134.437-139.830
- 117.688-106.859 114.090-120.054
- 118.282-138.642 115.339-117.747
- 93.142 60.228 132.059-156.555
- 93.329 0.000 114.378 -76.773
- # 148 total E -1.78561E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 49.090 147.981 -27.247
- 91.909 76.918 130.875 -5.894
- 92.492 46.452 99.998 -87.207
- 91.771 42.409 150.314 -98.812
- 90.987 43.682 121.211-113.985
- 91.806 45.733 128.930 84.464
- 91.304 44.095 133.701-130.427
- 91.683 61.484 138.886-133.936
- 92.995 43.211 142.418-145.770
- 95.497 67.521 0.000 0.000
- 131.529 -63.373 0.000 0.000
- 93.025 71.745 101.268-101.296
- 93.599 -0.555 114.299 -76.187
- 125.542-147.482 120.776 -77.954
- 94.769 138.148 0.000 0.000
- 129.837 -87.016 129.785 -74.912
- 118.240-106.662 118.824-125.789
- 118.107-137.521 115.051-117.700
- 93.096 59.051 100.655-101.754
- 93.333 0.000 114.393 -77.457
- # 149 total E -1.76065E+02 rmsd from N 0.000 %NC 0.00 0
- 93.653 77.908 148.601 -26.382
- 92.667 121.450 145.338 -43.054
- 131.050 -95.118 93.924-103.442
- 92.848 48.849 147.587 -98.206
- 91.116 44.641 107.009 -67.024
- 91.825 54.355 142.622 46.157
- 91.345 43.756 143.693-126.284
- 92.825 70.035 132.717-135.741
- 93.207 -85.397 141.771-118.986
- 94.447 158.589 0.000 0.000
- 137.202 -38.449 0.000 0.000
- 91.759 60.999 95.062 -99.932
- 92.279 33.631 112.913 -78.796
- 95.436-109.907 112.801 -76.464
- 95.739 156.946 0.000 0.000
- 130.373 -86.645 132.379 -45.359
- 118.160-107.520 118.576-124.340
- 118.094-136.923 114.060-116.795
- 93.084 59.089 100.022-100.149
- 93.334 0.000 114.337 -77.475
- # 150 total E -1.76079E+02 rmsd from N 0.000 %NC 0.00 0
- 93.660 122.604 109.173 -81.369
- 118.598-116.397 145.960 -30.183
- 92.438 50.352 104.321 -86.972
- 91.402 43.070 147.194-103.280
- 90.966 44.382 101.030 -54.278
- 91.865 44.688 134.660 92.762
- 91.503 52.228 134.409-119.039
- 92.087 63.234 141.464-131.446
- 93.046 146.132 142.521-138.923
- 94.671 123.179 0.000 0.000
- 130.750 -58.736 0.000 0.000
- 128.405 106.119 114.510-111.518
- 92.480 -32.396 115.734 -80.332
- 90.615 -48.032 114.670 -76.065
- 93.731 70.154 0.000 0.000
- 128.435-113.127 151.444 73.011
- 117.934-107.492 122.029-133.403
- 118.090-138.723 119.362-121.845
- 93.123 60.217 134.199-159.116
- 93.329 0.000 114.455 -76.747
- # 151 total E -1.78648E+02 rmsd from N 0.000 %NC 0.00 0
- 93.632 48.095 110.400 -81.540
- 92.006 80.604 138.159 -16.581
- 92.520 46.859 101.187 -84.910
- 91.988 40.731 149.727 -99.156
- 91.050 44.661 121.109-109.074
- 91.788 46.546 140.428 102.614
- 91.330 55.469 138.209-114.771
- 91.843 63.126 140.562-131.126
- 92.944 167.108 141.641-133.934
- 94.785 125.614 0.000 0.000
- 129.889 -56.976 0.000 0.000
- 128.161 106.294 114.473-111.611
- 92.469 -32.109 116.809 -80.214
- 90.570 -48.588 114.672 -76.067
- 93.713 69.751 0.000 0.000
- 128.089-112.643 155.343 13.826
- 117.861-107.425 123.458-135.571
- 118.261-130.968 113.852-114.660
- 117.433-116.182 131.664-141.602
- 121.717 0.000 121.516 -80.484
- # 152 total E -1.76592E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 48.595 110.439 -81.479
- 92.007 82.409 138.113 -15.851
- 92.502 47.234 96.939 -83.485
- 91.874 43.142 147.303 -98.890
- 90.952 45.048 121.844-113.779
- 91.677 48.947 162.675 29.726
- 91.529 58.263 133.754-147.518
- 92.726 99.456 132.502-119.382
- 92.431 -90.485 142.298-135.134
- 95.233 30.769 0.000 0.000
- 137.790 -72.911 0.000 0.000
- 116.767 -81.252 114.101-117.409
- 92.594 74.187 119.168 -77.094
- 94.094 42.364 112.872 -77.492
- 95.288 68.107 0.000 0.000
- 120.821 -75.493 129.596-132.595
- 117.255-105.075 114.906-121.556
- 117.428-138.803 114.455-116.563
- 93.214 60.201 127.384-151.761
- 93.330 0.000 114.350 -76.840
- # 153 total E -1.75606E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 48.166 110.589 -81.700
- 91.993 81.690 135.950 -11.371
- 92.430 47.388 101.841 -85.847
- 91.839 41.841 150.301 -99.785
- 91.065 43.903 122.559-112.786
- 91.766 45.463 134.431 95.529
- 91.235 50.197 135.339-122.572
- 91.467 63.606 141.652-137.971
- 92.490 49.514 148.838 -15.845
- 94.824 73.015 0.000 0.000
- 94.167 71.120 0.000 0.000
- 93.898 118.484 96.471-103.224
- 92.030 -27.722 121.178 -72.628
- 89.413 -62.392 113.529 -76.666
- 93.437 29.934 0.000 0.000
- 127.526 -80.506 118.118 -53.774
- 117.494-107.420 126.854-137.347
- 117.851-137.478 116.958-119.508
- 93.178 60.401 130.654-154.397
- 93.330 0.000 114.390 -76.789
- # 154 total E -1.69781E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 49.410 147.923 -26.970
- 91.929 77.650 129.490 -12.397
- 92.553 46.479 96.436 -86.644
- 91.971 43.194 148.318 -98.020
- 91.012 43.994 118.874-114.223
- 91.811 44.268 150.191 32.418
- 91.335 50.270 132.707-136.029
- 92.087 63.658 142.235-129.872
- 92.864-112.600 133.066-109.881
- 94.922 148.927 0.000 0.000
- 135.686 -85.209 0.000 0.000
- 118.145 -88.068 107.695-107.349
- 93.049 65.930 115.228 -76.505
- 120.712 -98.762 114.021 -79.177
- 95.504 70.816 0.000 0.000
- 137.448 -96.951 99.540 -58.213
- 117.855-106.311 116.308-120.992
- 118.049-137.349 116.667-120.032
- 93.114 59.627 102.255-107.364
- 93.332 0.000 114.338 -77.255
- # 155 total E -1.80994E+02 rmsd from N 0.000 %NC 0.00 0
- 93.635 47.821 110.414 -81.576
- 92.003 80.316 135.640 -17.438
- 92.613 46.017 101.609 -85.006
- 92.124 41.792 151.052 -97.834
- 91.223 43.131 120.721-109.584
- 91.892 47.360 148.687 93.388
- 91.556 50.235 137.985-122.463
- 92.568 70.734 140.520-132.358
- 93.129 -53.323 143.344-124.783
- 118.434-156.196 0.000 0.000
- 95.150 59.012 0.000 0.000
- 95.077 113.121 97.569 -99.449
- 92.098 -31.685 132.562 -37.297
- 88.479 -56.626 113.544 -76.763
- 93.155 22.699 0.000 0.000
- 124.049 -90.128 139.451 -8.986
- 117.525-106.637 127.824-139.325
- 118.233-138.584 115.791-117.777
- 93.098 61.664 134.320-159.952
- 93.326 0.000 113.884 -76.618
- # 156 total E -1.68144E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 12.084 146.429 -29.539
- 121.255-102.013 154.453 -17.743
- 92.406 54.673 126.535 -42.235
- 91.281 48.789 142.297 -97.419
- 90.625 44.123 121.072 -99.292
- 91.326 48.344 140.716 19.706
- 91.454 49.463 149.913-151.963
- 92.410 70.706 138.174-132.414
- 92.905 -94.471 134.291-115.340
- 94.468 133.379 0.000 0.000
- 135.955 -46.984 0.000 0.000
- 117.526-132.004 120.094-126.775
- 126.799-147.387 122.358 -80.912
- 129.956-160.330 123.594 -79.631
- 94.610 85.892 0.000 0.000
- 124.998 -69.880 84.015 -67.914
- 117.271-106.817 120.054-126.941
- 118.540-133.003 115.288-117.497
- 93.120 58.442 92.430 -87.498
- 93.338 0.000 114.436 -78.090
- # 157 total E -1.77722E+02 rmsd from N 0.000 %NC 0.00 0
- 93.649 85.100 149.756 -24.116
- 92.555 127.083 141.804 -43.538
- 131.715 -90.391 93.078 -99.765
- 92.785 48.999 147.749-100.258
- 91.162 46.605 113.768 -48.346
- 91.973 47.579 149.748 51.382
- 91.358 54.911 134.499-116.217
- 91.917 63.967 138.956-131.007
- 92.834 165.888 132.244-127.214
- 95.026 120.332 0.000 0.000
- 128.921 -57.807 0.000 0.000
- 128.138 105.427 114.401-111.528
- 92.431 -32.794 115.583 -80.613
- 90.486 -47.107 114.529 -76.062
- 93.664 70.163 0.000 0.000
- 128.127-113.464 176.442 157.780
- 117.526-107.243 124.143-135.812
- 117.940-139.014 118.887-121.177
- 93.151 60.151 132.502-157.152
- 93.329 0.000 114.438 -76.779
- # 158 total E -1.79615E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.998 148.051 -27.566
- 91.909 78.334 131.183 -3.516
- 92.390 48.390 99.925 -88.512
- 91.741 42.754 150.178 -99.087
- 91.032 43.772 122.702-115.782
- 91.884 45.795 131.784 91.476
- 91.427 50.648 134.293-126.902
- 91.740 73.669 141.279-127.702
- 92.792 57.761 142.584-163.438
- 95.391 94.550 0.000 0.000
- 130.328 -76.475 0.000 0.000
- 129.622 98.081 112.256-107.661
- 92.347 -37.593 115.232 -83.116
- 90.877 -42.302 114.848 -76.011
- 93.847 77.443 0.000 0.000
- 129.309-108.089 134.511 134.798
- 118.455-106.972 113.146-119.587
- 117.764-137.582 122.424-128.428
- 93.118 58.999 101.335-100.233
- 93.333 0.000 114.607 -77.287
- # 159 total E -1.73253E+02 rmsd from N 0.000 %NC 0.00 0
- 93.673 122.536 146.697 -32.203
- 119.455-116.107 146.194 -29.445
- 92.605 53.858 143.557 -99.753
- 91.713 49.594 143.501-100.369
- 91.123 42.052 107.434 -69.042
- 91.907 47.069 111.192-109.581
- 91.263 49.647 135.656-136.511
- 91.657 69.865 141.172-135.911
- 93.149 36.350 144.105-125.510
- 95.507 78.582 0.000 0.000
- 132.392 -53.759 0.000 0.000
- 92.800 66.414 101.435-104.110
- 92.830 47.060 113.997 -76.568
- 93.368 53.221 113.205 -78.871
- 94.631 65.866 0.000 0.000
- 119.822 -77.852 126.541-116.784
- 117.985-107.882 117.249-123.941
- 117.970-137.522 116.110-118.844
- 93.089 59.359 101.649-103.702
- 93.333 0.000 114.435 -77.253
- # 160 total E -1.73733E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 49.041 110.576 -81.539
- 92.022 80.065 138.086 -13.721
- 92.437 46.815 97.731 -88.335
- 91.785 42.745 167.376-167.616
- 90.745 45.589 130.472 -91.652
- 91.453 46.248 147.631 95.822
- 91.200 63.019 134.534-106.069
- 91.777 72.707 133.735-115.045
- 93.214 25.116 102.388 -76.127
- 123.560 -16.012 0.000 0.000
- 128.345 -58.566 0.000 0.000
- 121.821 163.957 121.718-125.047
- 93.624 81.669 117.106 -77.079
- 94.372 44.039 115.042 -76.987
- 95.167 69.768 0.000 0.000
- 120.583 -76.701 85.564 -67.105
- 117.264-106.112 120.069-127.424
- 117.874-138.926 112.249-113.823
- 93.094 56.192 101.102-111.095
- 93.341 0.000 114.747 -78.425
- # 161 total E -1.70236E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.621 147.965 -27.371
- 91.911 78.238 130.609 -7.546
- 92.428 47.350 94.679 -87.114
- 91.795 43.367 148.187 -99.082
- 90.933 43.435 120.438-116.578
- 91.763 45.977 146.903 17.060
- 91.476 45.944 135.401-136.793
- 92.390 70.502 139.224-129.217
- 93.059 -45.968 133.018-112.239
- 122.915-144.293 0.000 0.000
- 94.744 71.352 0.000 0.000
- 93.416 108.205 96.791-101.248
- 130.542 -96.528 123.477 -83.003
- 94.433 58.698 113.138 -76.437
- 95.424 75.029 0.000 0.000
- 124.109 -78.790 141.963-160.435
- 117.736-107.267 116.972-123.889
- 117.922-137.521 114.813-116.987
- 93.156 60.450 129.160-152.131
- 93.328 0.000 114.338 -76.808
- # 162 total E -1.77507E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.093 148.000 -27.868
- 91.917 79.609 130.316 -6.280
- 92.495 48.413 96.531 -88.127
- 91.887 43.201 149.291 -99.333
- 91.050 45.935 120.550-116.758
- 92.042 49.162 146.825 35.987
- 91.906 63.622 133.076-134.808
- 92.998 117.005 138.723-134.233
- 113.650 -81.143 155.508-161.003
- 128.435 -7.711 0.000 0.000
- 128.331 -67.804 0.000 0.000
- 111.777 -52.098 96.223 -85.772
- 89.918 76.125 114.443 -75.883
- 90.715 3.268 113.891 -76.887
- 103.526 -69.488 0.000 0.000
- 127.358 -52.022 162.325 -73.409
- 121.674-161.000 111.445-113.847
- 119.202-142.720 105.969-105.226
- 93.010 60.596 132.024-157.762
- 93.327 0.000 114.106 -76.712
- # 163 total E -1.73098E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 48.240 147.964 -27.654
- 91.902 78.722 130.309 -5.659
- 92.449 47.482 96.000 -87.801
- 91.841 43.133 149.612 -99.237
- 90.972 43.655 120.415-117.132
- 91.769 47.070 142.120 26.680
- 91.515 46.980 135.774-130.919
- 92.610 72.332 139.029-132.005
- 93.219 -97.986 135.546-116.109
- 94.709 152.027 0.000 0.000
- 138.405 -74.163 0.000 0.000
- 124.686 108.553 119.565-121.017
- 125.654-101.783 124.495 -78.004
- 94.556 44.790 115.884 -76.325
- 95.649 74.377 0.000 0.000
- 123.987 -77.852 136.660 -80.404
- 117.571-106.582 113.507-119.641
- 118.285-138.648 114.690-116.914
- 93.146 60.302 127.099-148.589
- 93.329 0.000 114.321 -76.858
- # 164 total E -1.73957E+02 rmsd from N 0.000 %NC 0.00 0
- 93.656 49.193 147.793 -26.728
- 91.902 76.704 128.964 -9.076
- 92.689 45.606 96.955 -88.689
- 91.935 43.209 150.551 -96.393
- 90.964 43.496 118.144-113.839
- 91.860 48.709 118.191 34.113
- 91.245 43.863 136.272-136.122
- 92.427 70.521 137.178-133.464
- 93.812 -91.513 139.888-113.585
- 137.174 -77.698 0.000 0.000
- 136.194 -23.665 0.000 0.000
- 111.380 -29.518 94.989 -83.611
- 91.808 92.560 114.757 -76.063
- 91.773 -17.241 109.426 -78.019
- 111.775 -32.197 0.000 0.000
- 131.675 -72.871 131.550 -66.672
- 118.406-114.404 111.355-114.906
- 117.575-120.010 121.432-127.028
- 117.385-116.185 129.541-136.977
- 121.717 0.000 121.528 -80.473
- # 165 total E -1.75904E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.388 148.057 -27.638
- 91.908 78.221 131.376 -3.597
- 92.375 48.385 99.942 -88.450
- 91.698 42.467 149.587-100.126
- 91.021 44.033 122.684-115.108
- 91.866 44.211 133.367 86.981
- 91.352 49.060 133.111-126.222
- 91.898 56.349 142.289-137.949
- 93.439 108.429 151.630 -23.017
- 125.403 -67.836 0.000 0.000
- 122.152 -69.839 0.000 0.000
- 91.687 49.536 101.100-100.203
- 93.349 34.067 114.492 -76.791
- 95.773 -90.877 137.715 -22.404
- 126.229 0.437 0.000 0.000
- 130.703 -72.125 125.083 -64.222
- 118.907-108.564 113.134-116.393
- 117.940-139.801 129.422-138.669
- 92.918 59.286 99.527-102.229
- 93.338 0.000 110.063 -81.176
- # 166 total E -1.77148E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 47.571 110.308 -81.529
- 92.012 79.983 139.346 -17.391
- 92.473 46.304 102.416 -83.181
- 91.857 41.758 151.645 -98.441
- 91.131 44.277 121.792-109.556
- 91.897 44.829 152.414 90.418
- 91.493 48.219 135.221-118.936
- 92.071 64.464 141.486-133.321
- 93.166 153.121 140.552-112.779
- 94.355 90.365 0.000 0.000
- 129.248 -40.762 0.000 0.000
- 92.452 67.113 101.789-104.322
- 92.350 51.412 113.341 -71.421
- 92.916 47.329 114.633 -79.329
- 94.036 59.751 0.000 0.000
- 111.386 -61.413 122.505-109.329
- 117.860-106.415 117.392-124.428
- 118.177-134.167 113.592-115.591
- 93.088 56.117 93.954-101.885
- 93.345 0.000 115.424 -78.386
- # 167 total E -1.81819E+02 rmsd from N 0.000 %NC 0.00 0
- 93.687 86.275 146.086 6.004
- 91.911 74.438 139.589 -20.251
- 92.393 45.980 136.987 109.153
- 91.843 44.006 137.788 -85.989
- 90.938 42.999 117.266-119.810
- 91.497 50.794 134.721 -7.366
- 91.384 44.356 151.871-176.000
- 92.589 72.576 134.943-130.651
- 93.110 -87.134 133.642-120.357
- 94.566 154.445 0.000 0.000
- 137.133 -49.100 0.000 0.000
- 92.492 61.791 95.468-102.608
- 92.706 50.356 113.685 -74.527
- 93.322 51.272 112.914 -79.059
- 94.760 66.691 0.000 0.000
- 119.975 -78.114 125.676-116.139
- 117.983-107.892 117.267-123.979
- 117.967-137.514 116.050-118.756
- 93.089 59.360 101.711-103.906
- 93.329 0.000 114.432 -77.252
- # 168 total E -1.71254E+02 rmsd from N 0.000 %NC 0.00 0
- 93.647 89.947 106.862 -76.153
- 92.575 121.743 150.213 -47.270
- 131.791 -89.478 92.949 -97.411
- 92.541 52.053 141.987 -93.830
- 90.995 42.998 120.478 -71.983
- 91.621 49.425 123.975 -32.697
- 91.328 43.597 150.565-134.416
- 92.257 71.079 137.368-133.249
- 93.078 -7.141 138.795-125.516
- 123.484-137.893 0.000 0.000
- 94.627 77.989 0.000 0.000
- 92.889 69.660 97.396-103.523
- 92.328 48.909 115.345 -74.385
- 93.061 52.072 115.052 -79.129
- 94.411 63.945 0.000 0.000
- 117.030 -72.383 71.209 -73.429
- 117.224-106.194 119.546-126.769
- 118.107-138.985 113.563-115.191
- 92.985 57.478 98.113-106.241
- 93.340 0.000 112.388 -79.946
- # 169 total E -1.74442E+02 rmsd from N 0.000 %NC 0.00 0
- 93.657 49.815 147.800 -26.356
- 91.898 76.757 127.247 -11.343
- 92.569 45.287 94.082 -87.336
- 91.948 43.487 148.926 -96.966
- 90.945 43.367 117.562-118.583
- 91.882 45.531 138.542 24.312
- 91.473 46.343 133.223-141.324
- 92.420 65.794 140.633-131.339
- 93.090 -78.038 134.966-120.718
- 126.033 -73.949 0.000 0.000
- 131.702 -51.523 0.000 0.000
- 93.262 60.214 98.898 -94.808
- 93.819 104.561 114.580 -76.935
- 126.980 -98.229 119.068 -84.009
- 95.123 74.837 0.000 0.000
- 128.160 -77.889 149.733 -47.382
- 118.229-109.457 109.493-112.842
- 117.975-138.336 120.297-124.640
- 93.088 59.963 132.031-155.248
- 93.329 0.000 114.220 -77.113
- # 170 total E -1.77570E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 48.084 110.269 -81.444
- 91.974 83.139 139.600 -16.738
- 92.542 46.615 94.374 -76.388
- 92.068 42.856 148.183 -96.154
- 91.020 44.151 121.669-113.343
- 91.726 46.836 137.567 -35.813
- 91.407 50.730 134.359-143.128
- 92.303 82.815 138.528-124.874
- 93.362 -88.468 136.006-125.697
- 133.774 -57.427 0.000 0.000
- 94.737 73.155 0.000 0.000
- 92.356 61.979 97.042-102.124
- 91.882 52.338 110.963 -76.986
- 92.551 52.321 113.113 -78.305
- 94.206 66.611 0.000 0.000
- 115.912 -67.170 111.004 -81.970
- 118.170-107.310 117.409-124.075
- 118.166-135.065 113.527-115.797
- 93.101 58.225 95.957-102.268
- 93.335 0.000 114.578 -77.887
- # 171 total E -1.71182E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 48.403 110.408 -81.456
- 92.006 82.234 138.381 -16.570
- 92.511 47.155 96.916 -83.260
- 91.879 43.076 147.194 -98.887
- 90.947 45.065 121.736-113.386
- 91.672 49.005 163.462 29.288
- 91.515 57.985 133.764-148.132
- 92.725 98.792 132.350-119.410
- 92.458 -90.919 142.039-134.669
- 95.230 31.546 0.000 0.000
- 137.780 -73.159 0.000 0.000
- 116.804 -81.568 114.084-117.349
- 92.613 74.198 119.238 -77.108
- 94.111 42.735 112.869 -77.493
- 95.325 67.590 0.000 0.000
- 120.861 -77.411 128.995-132.294
- 117.210-105.771 115.850-122.892
- 117.606-134.265 112.041-113.342
- 117.464-110.468 131.164-144.104
- 94.590 0.000 116.208 -77.309
- # 172 total E -1.69271E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 122.956 109.545 -81.169
- 118.978-113.757 144.931 -30.103
- 92.384 50.743 110.248 -85.948
- 91.342 44.782 145.726-100.566
- 90.880 44.044 115.322 -70.252
- 91.811 48.144 137.907 40.201
- 91.729 51.866 135.343-139.476
- 92.681 80.518 138.086-129.588
- 113.252-112.712 146.036-128.808
- 95.219 153.745 0.000 0.000
- 132.413 -66.220 0.000 0.000
- 127.991 101.873 114.253-111.952
- 92.526 -33.740 116.625 -80.386
- 90.632 -46.352 114.575 -76.146
- 93.798 71.086 0.000 0.000
- 128.299-112.533 110.721 -49.033
- 117.895-107.316 125.535-134.655
- 117.680-114.851 113.232-114.842
- 117.723-118.095 122.867-129.302
- 122.231 0.000 121.839 -83.429
- # 173 total E -1.79247E+02 rmsd from N 0.000 %NC 0.00 0
- 93.634 48.078 110.560 -81.691
- 91.994 81.276 136.436 -11.766
- 92.428 47.185 102.087 -85.676
- 91.838 41.800 150.153 -99.956
- 91.080 43.727 122.381-112.544
- 91.803 45.389 135.872 96.151
- 91.290 50.364 135.682-121.779
- 91.619 68.990 141.846-138.241
- 93.176 37.319 148.809 -19.897
- 95.470 78.768 0.000 0.000
- 132.425 -54.643 0.000 0.000
- 92.818 66.339 101.457-104.152
- 92.860 46.804 114.024 -76.587
- 93.379 53.440 113.453 -78.958
- 94.634 66.044 0.000 0.000
- 119.871 -78.011 126.627-117.073
- 117.999-107.899 117.254-123.938
- 117.967-137.497 116.114-118.848
- 93.089 59.361 101.657-103.711
- 93.334 0.000 114.433 -77.253
- # 174 total E -1.68857E+02 rmsd from N 0.000 %NC 0.00 0
- 93.710 125.650 146.428 -13.670
- 119.974-112.254 146.652 -29.859
- 93.132 46.761 132.593-112.320
- 91.809 51.432 132.623 -92.832
- 91.031 42.135 100.353 -50.017
- 91.584 50.079 102.155 -67.617
- 91.450 42.261 157.541-157.422
- 92.744 73.289 135.397-136.327
- 93.066 -50.458 146.394 -46.248
- 123.468 -47.035 0.000 0.000
- 121.107 -28.946 0.000 0.000
- 117.092-145.227 122.347-128.820
- 127.268-156.340 118.675 -84.691
- 94.233 52.408 116.051 -76.309
- 95.405 78.931 0.000 0.000
- 125.584 -72.096 161.603-174.317
- 117.264-106.098 110.900-116.307
- 118.235-138.985 115.236-117.429
- 93.151 60.364 129.987-153.984
- 93.325 0.000 114.317 -76.831
- # 175 total E -1.73172E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 53.830 148.127 -24.519
- 91.941 74.078 130.711 0.023
- 92.355 47.645 100.591 -86.471
- 91.803 43.109 147.165 -98.668
- 90.869 43.789 120.011-118.098
- 91.538 47.037 142.981 23.055
- 91.471 48.333 138.548-140.783
- 92.477 70.171 138.871-131.436
- 92.952 -96.614 134.158-114.724
- 94.477 131.616 0.000 0.000
- 135.323 -46.383 0.000 0.000
- 117.503-133.422 120.568-127.100
- 126.996-145.885 122.400 -80.928
- 128.185-168.354 122.925 -81.732
- 94.939 93.879 0.000 0.000
- 127.287 -78.543 74.132 -69.664
- 117.445-107.278 119.815-126.998
- 118.260-136.864 112.754-114.284
- 93.044 58.171 98.486-104.771
- 93.338 0.000 113.638 -78.624
- # 176 total E -1.72487E+02 rmsd from N 0.000 %NC 0.00 0
- 93.637 47.985 110.332 -81.446
- 92.014 79.647 137.448 -20.235
- 92.590 47.285 96.628 -81.724
- 92.038 43.189 147.810-103.512
- 91.070 46.024 122.231-106.248
- 92.288 51.285 164.341 6.636
- 92.121 75.329 134.281-136.801
- 92.831 145.233 124.739-124.663
- 92.729 115.265 109.844 -71.406
- 129.684 -1.683 0.000 0.000
- 129.627 -67.311 0.000 0.000
- 102.046 -27.351 97.232 -93.161
- 91.468 99.491 114.566 -76.257
- 91.273 -19.520 114.019 -77.710
- 101.658 -54.131 0.000 0.000
- 129.098 -53.364 114.515 -98.086
- 119.661-113.088 112.321-115.771
- 118.068-137.700 121.247-127.882
- 93.024 59.373 104.215-107.774
- 93.332 0.000 114.447 -77.259
- # 177 total E -1.70954E+02 rmsd from N 0.000 %NC 0.00 0
- 93.653 48.569 148.010 -27.541
- 91.923 78.397 130.427 -9.519
- 92.500 47.487 99.257 -88.343
- 91.923 41.712 149.440 -99.500
- 91.138 44.186 120.620-112.029
- 91.941 45.474 138.109 86.516
- 91.577 50.134 134.538-124.849
- 92.460 72.968 140.996-132.027
- 93.608 -76.173 148.099-138.491
- 136.590 -69.462 0.000 0.000
- 134.597 -9.984 0.000 0.000
- 129.876 123.609 114.803-111.091
- 93.129 -24.838 114.785 -72.343
- 90.931 -53.116 114.412 -76.188
- 93.903 52.760 0.000 0.000
- 130.462-107.050 143.826 168.805
- 117.638-107.011 103.759-106.283
- 117.585-139.999 119.201-124.242
- 93.141 59.943 133.317-159.074
- 93.333 0.000 114.518 -76.793
- # 178 total E -1.71079E+02 rmsd from N 0.000 %NC 0.00 0
- 93.691 124.317 147.516 -22.304
- 119.930-110.833 144.910 -33.197
- 92.416 48.111 104.705 -85.995
- 91.064 45.022 144.855 -95.927
- 90.669 44.128 117.507 -67.785
- 91.479 47.832 112.208 39.539
- 91.239 46.090 143.781-133.489
- 92.362 73.045 137.649-132.670
- 93.642 -91.333 142.638-126.855
- 137.543 -78.467 0.000 0.000
- 135.949 -26.484 0.000 0.000
- 110.184 -30.028 94.965 -85.502
- 91.774 94.020 114.681 -76.091
- 91.772 -18.448 109.205 -78.178
- 110.694 -34.771 0.000 0.000
- 130.688 -71.947 128.890 -72.380
- 118.485-113.817 111.292-114.755
- 117.269-144.270 124.650-132.616
- 93.018 51.774 106.022-106.402
- 93.353 0.000 114.623 -80.194
- # 179 total E -1.74360E+02 rmsd from N 0.000 %NC 0.00 0
- 93.680 81.829 147.805 0.427
- 91.942 77.903 136.704 -22.836
- 92.525 46.256 138.420-109.698
- 91.791 49.682 128.266 -85.890
- 90.954 43.926 119.198-123.973
- 91.486 49.239 100.759 -63.439
- 91.508 42.588 162.975-158.761
- 92.769 75.855 135.002-135.008
- 92.988 -44.993 145.617 -49.864
- 122.971 -51.026 0.000 0.000
- 120.269 -28.589 0.000 0.000
- 116.985-144.007 122.075-128.463
- 126.466-157.563 117.687 -85.969
- 94.317 53.279 116.068 -76.322
- 95.420 76.640 0.000 0.000
- 124.545 -74.523 159.041-163.099
- 117.250-106.064 110.498-115.767
- 117.938-139.476 115.083-117.480
- 93.158 60.168 129.814-154.543
- 93.329 0.000 114.367 -76.826
- # 180 total E -1.73469E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 35.291 104.637 -79.969
- 92.504 157.480 132.497 -10.301
- 93.542 84.058 100.183 -73.485
- 92.843 7.510 168.242-160.979
- 90.884 -95.865 124.630 -52.430
- 108.419 169.769 141.101 -33.164
- 92.092 80.316 144.385 -11.273
- 93.694 78.863 112.933-114.039
- 92.872 -95.388 98.713 -79.860
- 94.086 25.934 0.000 0.000
- 126.956 -50.836 0.000 0.000
- 116.389-169.197 124.037-131.526
- 128.299-154.095 145.364 2.082
- 122.180 175.412 121.514 -78.595
- 95.106 84.310 0.000 0.000
- 127.453 -82.637 115.165-133.113
- 118.095-108.389 117.001-123.141
- 118.035-136.906 116.411-119.261
- 93.106 59.297 101.575-103.310
- 93.331 0.000 114.438 -77.251
- # 181 total E -1.69026E+02 rmsd from N 0.000 %NC 0.00 0
- 93.659 48.926 148.036 -27.208
- 91.902 77.882 130.022 -3.238
- 92.429 48.368 98.920 -89.361
- 91.721 42.622 148.429 -97.656
- 91.018 45.049 120.670-116.887
- 91.745 46.185 137.199 57.837
- 91.308 50.542 132.807-135.222
- 91.939 60.574 140.086-136.217
- 93.245 166.497 140.146 -34.520
- 135.091 -68.069 0.000 0.000
- 127.538 -32.518 0.000 0.000
- 92.431 69.758 100.538-100.122
- 92.617 21.492 113.362 -76.712
- 96.472-115.635 112.106 -77.302
- 95.253 153.527 0.000 0.000
- 132.498 -98.985 102.250 -57.859
- 117.519-108.366 114.309-119.676
- 118.183-125.284 112.448-113.832
- 117.594-116.336 125.246-132.342
- 121.726 0.000 121.536 -80.552
- # 182 total E -1.72574E+02 rmsd from N 0.000 %NC 0.00 0
- 93.680 92.735 145.650 16.501
- 91.860 76.353 140.118 -18.191
- 92.199 47.473 97.705 -79.731
- 91.593 43.747 149.093 -99.087
- 90.825 43.829 121.272-113.381
- 91.697 45.941 155.613 120.519
- 91.444 64.684 142.284 -51.603
- 91.667 96.051 131.753-107.155
- 93.528 -42.428 141.418-125.569
- 96.142 84.318 0.000 0.000
- 133.521 -79.142 0.000 0.000
- 129.949 149.083 118.822-116.096
- 93.794 75.859 115.489 -74.904
- 94.296 47.505 115.010 -76.964
- 95.510 72.441 0.000 0.000
- 123.478 -89.938 123.494 -72.886
- 118.366-111.310 117.314-124.031
- 117.707-118.003 111.652-113.003
- 117.608-116.222 127.667-134.664
- 121.728 0.000 121.549 -80.514
- # 183 total E -1.74218E+02 rmsd from N 0.000 %NC 0.00 0
- 93.682 91.095 145.286 -15.029
- 92.591 128.052 150.059 -30.569
- 131.622 -87.574 90.968 -97.441
- 92.487 49.793 145.523-102.065
- 90.956 45.045 117.657 -82.780
- 91.861 52.471 143.200 30.808
- 91.525 49.643 144.171-114.988
- 92.587 78.739 134.447-134.027
- 112.262-108.004 144.355-126.251
- 95.273 155.539 0.000 0.000
- 132.287 -66.644 0.000 0.000
- 128.515 101.035 113.902-111.087
- 92.559 -33.459 116.229 -79.922
- 90.632 -46.475 114.595 -76.143
- 93.830 69.477 0.000 0.000
- 128.516-112.180 110.810 -47.432
- 117.557-105.338 128.642-138.742
- 118.122-137.076 111.093-112.278
- 93.101 60.176 101.568-105.793
- 93.331 0.000 114.092 -77.207
- # 184 total E -1.73960E+02 rmsd from N 0.000 %NC 0.00 0
- 93.655 48.606 147.868 -27.069
- 91.890 76.839 129.307 -6.712
- 92.582 45.883 92.631 -86.410
- 91.883 42.124 149.908 -96.915
- 90.772 45.390 120.172-112.755
- 91.686 46.435 130.218 29.695
- 91.273 47.092 131.986-143.355
- 92.272 49.137 138.673-136.415
- 94.035-158.868 156.356 -10.309
- 135.405 -65.010 0.000 0.000
- 127.514 -28.966 0.000 0.000
- 92.339 68.606 100.869-101.012
- 92.504 22.688 113.239 -76.686
- 95.771-115.798 110.910 -78.776
- 95.519 150.486 0.000 0.000
- 130.247-103.133 146.546 39.003
- 117.996-108.617 107.868-106.802
- 117.910-139.439 122.617-128.591
- 93.007 59.791 140.287-166.250
- 93.329 0.000 114.631 -76.732
- # 185 total E -1.73627E+02 rmsd from N 0.000 %NC 0.00 0
- 93.636 39.639 107.788 -81.190
- 92.614 155.442 140.957 -9.329
- 92.043 79.677 102.034 -76.459
- 93.258 20.989 167.170-148.079
- 91.926-101.282 107.885 -41.879
- 94.152 147.437 136.649-133.419
- 91.886 65.876 146.907 -15.860
- 93.208 86.670 133.976-107.641
- 92.392 -90.655 133.748-127.546
- 94.465 26.026 0.000 0.000
- 130.942 -60.097 0.000 0.000
- 115.941-178.534 119.260-124.997
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- 125.461 -64.108 120.346 -79.208
- 95.591 75.961 0.000 0.000
- 126.028 -80.757 121.798-133.005
- 117.978-111.093 114.567-119.455
- 117.408-135.494 138.283-153.786
- 93.150 59.149 100.501 -97.314
- 93.333 0.000 114.554 -77.410
- # 186 total E -1.79216E+02 rmsd from N 0.000 %NC 0.00 0
- 93.682 84.237 147.378 1.952
- 91.929 73.552 137.509 -28.280
- 92.512 49.630 147.517-105.811
- 91.949 42.341 137.533 -93.609
- 90.993 44.320 113.088-116.091
- 91.545 51.651 111.652 -62.761
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- 94.684 81.992 0.000 0.000
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- 94.077 66.155 0.000 0.000
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- 93.042 58.815 98.012 -95.879
- 93.335 0.000 113.800 -78.142
- # 187 total E -1.69948E+02 rmsd from N 0.000 %NC 0.00 0
- 93.666 86.864 148.626 -15.346
- 92.602 134.950 142.331 -41.627
- 131.082 -94.173 97.717-103.150
- 92.887 48.151 149.443-100.184
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- 92.238 44.607 159.101 97.561
- 91.628 50.612 134.915-101.579
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- 128.998 -71.010 0.000 0.000
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- 92.534 48.290 114.363 -78.259
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- # 188 total E -1.75229E+02 rmsd from N 0.000 %NC 0.00 0
- 93.749 129.715 143.635 17.113
- 117.341-109.776 141.898 -31.284
- 92.522 49.554 113.678 116.417
- 91.242 44.193 145.344 -94.270
- 90.815 43.830 117.357 -71.563
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- 135.902 -41.458 0.000 0.000
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- 95.793 157.088 0.000 0.000
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- 92.462 48.569 100.883 -85.669
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- 93.465 86.592 100.278 -67.763
- 93.667 5.073 170.002-163.025
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- # 191 total E -1.72474E+02 rmsd from N 0.000 %NC 0.00 0
- 93.673 91.304 146.865 -17.969
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- 92.983 59.957 129.782-152.405
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- 93.697 88.689 144.383 10.146
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- 92.245 46.969 97.635 -77.186
- 91.811 43.976 144.874-101.123
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- 117.616-116.224 129.417-139.256
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- # 193 total E -1.76164E+02 rmsd from N 0.000 %NC 0.00 0
- 93.658 122.722 109.261 -81.282
- 118.282-117.519 144.876 -30.585
- 92.476 49.476 104.138 -86.016
- 91.389 45.011 148.526-101.202
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- 92.011 52.315 140.984-134.293
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- 118.439-139.417 119.379-124.901
- 92.958 59.640 108.502-115.327
- 93.330 0.000 113.976 -77.399
- # 194 total E -1.80184E+02 rmsd from N 0.000 %NC 0.00 0
- 93.654 49.035 147.974 -27.069
- 91.896 78.118 129.645 -3.409
- 92.476 47.771 96.964 -89.212
- 91.802 43.376 148.373 -97.885
- 90.968 44.178 119.678-118.556
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- 91.688 50.929 135.707-140.763
- 92.671 81.221 137.772-129.892
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- 95.367 155.148 0.000 0.000
- 131.786 -67.324 0.000 0.000
- 128.280 100.606 113.681-110.706
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- 117.995-138.246 115.685-117.750
- 93.158 60.486 130.620-154.797
- 93.329 0.000 114.324 -76.797
- # 195 total E -1.74260E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 45.256 108.490 -80.485
- 92.531 157.047 146.251 -10.422
- 93.588 84.854 147.714-102.543
- 92.494 9.433 133.876 -85.891
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- 100.914 176.389 142.316 130.357
- 92.255 46.606 146.725 -7.927
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- 95.201 -55.574 0.000 0.000
- 94.115 29.388 0.000 0.000
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- 95.273 161.075 0.000 0.000
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- 93.057 59.511 103.269-109.895
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- # 196 total E -1.68072E+02 rmsd from N 0.000 %NC 0.00 0
- 93.685 85.406 146.349 5.125
- 91.827 77.134 128.499 8.767
- 92.394 50.012 98.236 -92.812
- 91.668 49.184 137.956 -96.044
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- 92.990 57.402 100.360-101.042
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- 92.430 50.211 104.389 -87.399
- 91.343 43.753 146.909-102.921
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- 92.921 59.265 99.481-102.302
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- 92.476 47.720 98.648 -89.525
- 91.709 44.108 152.238 -96.815
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- 92.987 59.837 129.726-152.479
- 93.330 0.000 114.437 -76.837
- # 199 total E -1.79715E+02 rmsd from N 0.000 %NC 0.00 0
- 93.639 36.686 105.057 -79.656
- 92.547 156.632 140.358 -13.088
- 93.341 84.660 133.061-102.898
- 93.378 9.832 162.530 142.932
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- 93.635 48.068 110.559 -81.690
- 91.996 81.297 136.435 -11.794
- 92.428 47.197 102.078 -85.670
- 91.840 41.783 150.163 -99.926
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- 121.734 0.000 121.554 -80.556
+ jlee = 1 nbank = 200 nstep = 34569 339.60528
+ # 1 total E -2.01101E+02 rmsd from N 0.000 %NC 0.00 0
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