--- /dev/null
+1.20 3.37 -0.167 -0.087 -0.972 -0.046 !block LJ
+1.62 3.33 0.01 1.91 1.84 2.45 0.561 0.241 !block cavity
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !CysAGCT
+1.2 3.43 -0.151 -0.023 -0.840 -0.073
+1.60 3.12 0.004 1.90 1.90 2.53 0.538 0.173
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 ! CysG
+0.90 3.77 -0.127 -0.166 -0.892 0.024
+1.39 2.71 0.001 1.95 1.77 2.35 0.703 0.215
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 ! CysC
+1.00 3.73 -0.148 0.173 -0.761 0.475
+2.26 3.30 1.26 1.98 1.37 1.82 0.914 0.036
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 ! CysT
+1.00 3.55 -0.042 0.044 -0.979 0.054
+1.73 2.97 0.0004 1.94 1.67 2.22 0.745 0.404
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !MetA
+1.60 3.47 0.032 0.195 -0.761 -0.020
+2.07 3.30 0.03 1.87 1.86 2.47 0.630 0.433
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !MetG
+1.20 3.71 0.138 0.090 -0.359 0.578
+1.49 2.97 0.06 2.01 1.36 1.81 0.966 0.107
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !MetC
+1.52 3.67 0.068 0.049 -0.557 0.316
+1.80 3.18 0.002 1.99 1.43 1.90 0.930 0.149
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !MetT
+0.80 3.69 -0.053 0.131 -0.936 0.052
+1.27 2.81 0.38 1.98 1.65 2.19 0.771 0.449
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !PheA
+2.00 3.59 -0.010 0.088 -0.869 -0.007
+2.03 3.27 0.04 1.86 1.97 2.61 0.650 0.187
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !PheG
+0.80 3.68 0.196 0.171 -0.278 0.238
+0.75 2.60 0.07 2.00 1.70 2.25 0.710 0.640
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !PheC
+1.60 3.65 0.220 -0.275 0.053 -0.845
+1.51 3.00 0.01 1.95 1.94 2.57 0.380 0.464
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !PheT
+1.60 3.75 -0.132 0.071 -0.845 0.040
+1.85 3.00 0.04 1.87 2.01 2.67 0.572 0.216
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !IleA
+1.60 3.78 -0.183 0.109 -0.911 0.079
+1.93 3.21 0.01 1.88 1.93 2.57 0.619 0.201
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !IleG
+1.60 4.08 -0.121 -0.003 -0.678 0.108
+1.74 2.94 0.92 1.96 1.68 2.23 0.839 0.126
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !IleC
+1.60 3.99 -0.265 0.135 -0.760 0.179
+2.11 3.21 0.08 1.95 1.49 1.98 0.904 0.054
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !IleT
+1.20 3.83 -0.052 0.222 -0.707 0.472
+0.57 14.48 3.35 2.23 1.40 1.86 0.945 0.072
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !LeuA
+4.00 3.51 0.143 0.051 -0.161 -0.196
+0.67 14.76 0.01 1.86 2.35 3.12 0.318 0.241
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !LeuG
+1.20 4.05 0.161 0.127 -0.114 0.208
+1.14 2.46 1.59 1.98 1.95 2.59 0.623 0.604
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !LeuC
+1.87 3.95 -0.052 0.180 -0.468 0.278
+0.68 14.73 1.94 2.05 1.55 2.06 0.864 0.141
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !LeuT
+1.60 3.67 -0.086 0.032 -0.724 0.009
+1.83 3.03 0.12 1.85 2.09 2.78 0.478 0.232
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !ValA
+1.60 3.72 -0.097 0.067 -0.688 0.026
+1.73 3.00 0.03 1.86 2.06 2.74 0.495 0.296
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !ValG
+1.60 3.91 -0.001 -0.048 -0.428 0.006
+1.34 2.79 0.01 1.85 2.23 2.97 0.435 0.303
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !ValC
+1.20 3.99 -0.098 0.225 -0.597 0.759
+1.45 2.81 0.07 2.03 1.37 1.83 0.974 -0.025
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !ValT
+1.00 3.68 0.200 0.219 0.050 0.348
+0.30 1.00 0.00005 2.08 1.66 2.21 0.788 0.759
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !TrpA
+1.60 3.70 -0.040 0.065 -0.874 -0.013
+1.97 2.90 0.006 1.92 1.85 2.47 0.721 0.260
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !TrpG
+1.00 3.73 0.101 0.040 -0.478 0.027
+1.06 2.66 0.03 1.94 1.86 2.47 0.699 0.459
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !TrpC
+1.60 3.64 0.132 0.276 0.071 0.420
+0.89 2.72 0.003 1.97 1.80 2.20 0.462 0.537
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !TrpT
+1.00 3.58 0.114 0.129 -0.216 0.206
+0.93 2.54 1.13 2.09 1.50 2.00 0.811 0.609
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !TyrA
+2.00 3.57 0.195 -0.064 0.043 -0.997
+2.39 3.43 0.004 1.90 1.75 2.33 0.205 0.778
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !TyrG
+0.60 3.64 0.302 0.354 -0.017 0.974
+0.10 1.42 3.29 2.18 1.32 1.75 0.451 0.533
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !TyrC
+2.40 3.51 -0.081 0.119 -0.878 0.094
+2.97 3.49 0.03 1.84 1.73 2.30 0.705 0.161
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !TyrT
+1.60 3.25 -0.052 0.025 -0.449 -0.080
+1.65 2.99 0.03 1.93 2.00 2.66 0.383 0.166
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !AlaA
+1.60 3.28 -0.016 0.077 -0.540 -0.025
+1.63 2.93 0.10 1.91 2.01 2.68 0.401 0.301
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !AlaG
+1.60 3.50 -0.016 -0.290 -0.427 -0.094
+1.71 2.99 0.03 1.88 2.05 2.72 0.402 0.148
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !AlaC
+1.60 3.41 0.018 -0.238 -0.393 -0.110
+1.63 2.88 0.02 1.93 2.03 2.70 0.390 0.227
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !AlaT
+0.55 3.13 -0.217 -0.037 -0.997 0.019
+1.00 2.63 0.05 1.98 1.84 2.44 0.337 0.292
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !GlyA
+1.20 2.91 -0.031 0.032 -0.594 0.008
+1.45 2.68 0.17 2.10 1.96 2.61 0.248 0.225
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !GlyG
+0.24 3.63 -0.088 -0.323 -1.000 0.071
+1.95 2.66 1.92 2.07 1.37 1.82 0.142 0.780
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !GlyC
+0.50 3.51 -0.336 0.082 -0.938 0.369
+1.35 2.94 1.21 2.08 1.12 1.48 0.967 0.012
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !GlyT
+0.80 3.68 -0.159 -0.025 -0.998 -0.50
+0.38 14.58 0.43 2.28 1.85 2.20 0.685 0.307
+0.0 0.0 0.0 0.0
+5.782 35.876 35.053 0.0 0.0
+0.0 0.0 !ThrA
+1.80 3.48 -0.048 -0.029 -0.528 -0.082
+0.49 14.55 0.03 2.19 2.28 2.71 0.401 0.223
+0.0 0.0 0.0 0.0
+3.794 35.889 35.474 0.0 0.0
+0.0 0.0 !ThrG
+0.80 3.92 -0.110 -0.137 -0.956 0.046
+0.35 14.54 0.01 2.24 2.06 2.45 0.630 0.265
+0.0 0.0 0.0 0.0
+6.386 35.972 34.505 0.0 0.0
+0.0 0.0 !ThrC
+0.40 3.97 -0.031 0.152 -0.999 0.270
+0.13 14.55 0.05 2.25 2.05 2.45 0.557 0.636
+0.0 0.0 0.0 0.0
+5.010 35.265 32.821 0.0 0.0
+0.0 0.0 !ThrT
+0.60 3.53 -0.115 -0.128 -1.000 0.007
+0.28 14.57 0.03 2.29 1.77 2.11 0.685 0.328
+0.0 0.0 0.0 0.0
+3.240 35.343 33.758 0.0 0.0
+0.0 0.0 !SerA
+0.80 3.51 -0.209 -0.033 -0.997 -0.0003
+0.32 14.60 0.04 2.24 1.87 2.23 0.642 0.209
+0.0 0.0 0.0 0.0
+0.018 35.284 32.678 0.0 0.0
+0.0 0.0 !SerG
+0.80 3.68 -0.070 -0.158 -0.745 -0.060
+0.28 14.26 0.17 2.31 1.95 2.33 0.662 0.190
+0.0 0.0 0.0 0.0
+0.148 29.330 0.755 0.0 0.0
+0.0 0.0 !SerC
+0.60 3.68 -0.121 -0.090 -0.997 0.041
+0.25 14.68 0.08 2.16 1.81 2.15 0.714 0.302
+0.0 0.0 0.0 0.0
+1.384 33.437 21.906 0.0 0.0
+0.0 0.0 !SerT
+1.20 3.51 0.041 0.100 -0.992 0.015
+0.50 14.43 0.01 2.29 1.92 2.29 0.705 0.356
+0.0 0.0 0.0 0.0
+0.030 35.098 31.323 0.0 0.0
+0.0 0.0 !GlnA
+1.20 3.57 -0.090 0.066 -1.000 -0.001
+0.53 14.58 0.21 2.27 1.82 2.17 0.764 0.190
+0.0 0.0 0.0 0.0
+0.001 35.631 35.077 0.0 0.0
+0.0 0.0 !GlnG
+1.20 3.81 -0.059 -0.043 -0.831 0.0004
+0.45 14.56 0.02 2.31 1.79 2.14 0.836 0.135
+0.0 0.0 0.0 0.0
+1.113 35.347 34.502 0.0 0.0
+0.0 0.0 !GlnC
+1.20 3.71 -0.057 -0.050 -0.941 -0.032
+0.49 14.58 0.55 2.29 1.77 2.11 0.841 0.141
+0.0 0.0 0.0 0.0
+0.016 35.641 34.421 0.0 0.0
+0.0 0.0 !GlnT
+1.20 3.48 -0.214 0.065 -1.000 -0.024
+0.48 14.58 0.73 2.28 1.86 2.22 0.684 0.212
+0.0 0.0 0.0 0.0
+0.003 35.890 35.725 0.0 0.0
+0.0 0.0 !AsnA
+1.20 3.52 -0.253 0.010 -1.000 -0.017
+0.48 14.57 0.88 2.29 1.86 2.22 0.682 0.164
+0.0 0.0 0.0 0.0
+0.038 35.945 35.791 0.0 0.0
+0.0 0.0 !AsnG
+1.20 3.74 -0.019 -0.231 -0.738 -0.078
+0.35 14.56 0.07 2.22 2.12 2.53 0.623 0.278
+0.0 0.0 0.0 0.0
+0.011 36.033 34.968 0.0 0.0
+0.0 0.0 !AsnC
+1.20 3.57 -0.083 -0.072 -0.759 -0.110
+0.43 14.56 1.11 2.25 2.07 2.47 0.587 0.165
+0.0 0.0 0.0 0.0
+0.003 35.936 35.802 0.0 0.0
+0.0 0.0 !AsnT
+0.80 3.80 -0.106 0.063 -0.992 0.030
+0.47 14.52 3.10 2.12 1.90 2.53 0.618 0.377
+0.047 0.065 2.00 1.00
+0.0 0.0 0.0 1.448 2.794
+0.0018 0.60 !GluA
+0.80 3.83 0.141 -0.048 -0.045 -0.918
+0.40 14.47 3.20 2.13 2.02 2.69 0.354 0.653
+0.000 0.106 2.00 1.00
+0.0 0.0 0.0 9.597 2.531
+0.0054 0.60 !GluG
+1.00 3.95 0.090 -0.021 -0.524 -0.062
+0.35 14.54 2.93 2.06 2.12 2.82 0.544 0.383
+0.010 0.048 2.00 1.00
+0.0 0.0 0.0 3.487 2.527
+0.0011 0.60 !GluC
+0.80 4.02 -0.062 -0.059 -0.923 0.002
+0.52 14.49 3.22 2.16 1.91 2.41 0.688 0.388
+0.792 0.212 2.00 1.00
+0.0 0.0 0.0 6.126 2.686
+0.0022 0.60 !GluT
+0.80 3.74 -0.184 -0.558 -0.991 -0.151
+0.56 14.47 3.36 2.12 2.06 2.74 0.428 0.139
+0.124 0.625 2.00 1.00
+0.0 0.0 0.0 0.005 2.140
+0.0133 0.60 !AspA
+0.40 3.99 0.057 -0.022 -0.106 -0.998
+0.26 14.75 0.01 1.96 1.91 2.53 0.149 0.834
+1.022 0.779 2.00 1.00
+0.0 0.0 0.0 15.412 0.012
+0.0000 0.61 !AspG
+0.80 3.98 0.057 -0.043 -0.042 -0.753
+0.37 14.46 3.42 2.12 2.09 2.78 0.510 0.300
+0.025 0.617 2.00 1.00
+0.0 0.0 0.0 0.0 2.083
+0.0152 0.60 !AspC
+0.20 4.18 0.015 -0.012 -0.997 0.063
+1.41 14.56 3.29 2.22 1.21 1.60 0.497 0.739
+0.008 0.426 2.00 1.00
+0.0 0.0 0.0 0.002 2.566
+0.0047 0.60 !AspT
+1.20 3.54 -0.014 0.168 -0.919 0.059
+1.52 2.87 0.04 1.95 1.71 2.28 0.730 0.384
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !HisA
+1.80 3.54 -0.022 0.091 -0.920 -0.036
+2.08 3.34 0.01 1.88 1.88 2.50 0.670 0.153
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !HisG
+1.20 3.69 0.114 0.013 -0.497 0.014
+1.21 2.75 0.07 1.98 1.75 2.33 0.737 0.399
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !HisC
+1.40 3.65 0.240 0.183 -0.138 0.091
+0.46 2.56 0.11 1.99 1.84 2.45 0.666 0.660
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !HisT
+1.20 3.41 0.261 0.005 0.030 -0.993
+0.64 14.59 2.63 2.09 1.84 2.44 0.528 0.563
+0.001 0.942 2.00 1.00
+0.0 0.0 0.0 0.014 3.091
+0.0018 0.60 !ArgA
+1.10 3.41 0.284 -0.146 0.048 -0.992
+0.56 14.57 2.73 2.13 1.69 2.25 0.426 0.643
+0.454 0.792 2.00 1.00
+0.0 0.0 0.0 0.025 4.334
+0.00003 0.60 !ArgG
+1.20 3.26 0.332 -0.064 0.010 -0.999
+0.52 14.46 2.30 2.07 1.79 2.38 0.555 0.511
+0.238 1.830 2.00 1.00
+0.0 0.0 0.0 0.003 3.596
+0.0007 0.60 !ArgC
+0.80 3.56 0.154 -0.134 -0.102 -0.799
+0.47 14.48 3.33 2.20 1.68 2.23 0.613 0.518
+0.066 0.671 2.00 1.00
+0.0 0.0 0.0 0.194 2.302
+0.0102 0.60 !ArgT
+0.80 3.17 0.248 0.167 -0.113 -0.326
+1.63 1.70 14.58 3.29 1.21 1.61 0.315 0.443
+0.010 0.546 3.00 1.00
+0.0 0.0 0.0 1.939 0.015
+0.0193 0.60 !LysA
+0.70 3.55 0.146 -0.141 -0.082 -0.926
+0.39 14.33 3.44 2.28 1.70 2.26 0.629 0.572
+0.000 0.704 2.00 1.00
+0.0 0.0 0.0 0.032 2.721
+0.0030 0.60 !LysG
+0.45 3.90 0.084 -0.189 -0.203 -0.715
+0.41 14.49 3.25 2.22 1.49 1.98 0.819 0.555
+0.000 0.893 2.00 1.00
+0.0 0.0 0.0 0.062 3.318
+0.0013 0.60 !LysC
+0.70 4.03 0.088 -0.517 -0.918 -0.143
+0.49 14.47 3.37 2.15 1.94 2.58 0.696 0.410
+0.000 0.789 2.00 1.00
+0.0 0.0 0.0 0.022 2.311
+0.0105 0.60 !LysT
+1.60 3.51 -0.131 0.011 -0.742 -0.034
+1.88 3.04 0.13 1.88 1.96 2.61 0.520 0.271
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !ProA
+1.60 3.53 -0.001 -0.008 -0.463 -0.115
+1.61 2.94 0.04 1.88 2.05 2.72 0.465 0.235
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !ProG
+1.20 3.83 -0.027 -0.045 -0.473 0.012
+1.32 2.84 0.07 1.91 1.97 2.62 0.547 0.377
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !ProC
+1.00 3.80 -0.056 0.114 -0.599 0.409
+1.49 2.84 0.05 2.02 1.39 1.85 0.908 0.109
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !ProT
+1.00 3.55 -0.042 0.044 -0.979 0.054
+1.73 2.97 0.0004 1.94 1.67 2.22 0.745 0.404
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !MetA
+1.60 3.47 0.032 0.195 -0.761 -0.020
+2.07 3.30 0.03 1.87 1.86 2.47 0.630 0.433
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !MetG
+1.20 3.71 0.138 0.090 -0.359 0.578
+1.49 2.97 0.06 2.01 1.36 1.81 0.966 0.107
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !MetC
+1.52 3.67 0.068 0.049 -0.557 0.316
+1.80 3.18 0.002 1.99 1.43 1.90 0.930 0.149
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !MetT
+0.80 3.69 -0.053 0.131 -0.936 0.052
+1.27 2.81 0.38 1.98 1.65 2.19 0.771 0.449
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !PheA
+2.00 3.59 -0.010 0.088 -0.869 -0.007
+2.03 3.27 0.04 1.86 1.97 2.61 0.650 0.187
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !PheG
+0.80 3.68 0.196 0.171 -0.278 0.238
+0.75 2.60 0.07 2.00 1.70 2.25 0.710 0.640
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !PheC
+1.60 3.65 0.220 -0.275 0.053 -0.845
+1.51 3.00 0.01 1.95 1.94 2.57 0.380 0.464
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !PheT
+1.60 3.25 -0.052 0.025 -0.449 -0.080
+1.65 2.99 0.03 1.93 2.00 2.66 0.383 0.166
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !AlaA
+1.60 3.28 -0.016 0.077 -0.540 -0.025
+1.63 2.93 0.10 1.91 2.01 2.68 0.401 0.301
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !AlaG
+1.60 3.50 -0.016 -0.290 -0.427 -0.094
+1.71 2.99 0.03 1.88 2.05 2.72 0.402 0.148
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !AlaC
+1.60 3.41 0.018 -0.238 -0.393 -0.110
+1.63 2.88 0.02 1.93 2.03 2.70 0.390 0.227
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !AlaT
+1.60 3.25 -0.052 0.025 -0.449 -0.080
+1.65 2.99 0.03 1.93 2.00 2.66 0.383 0.166
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !AlaA
+1.60 3.28 -0.016 0.077 -0.540 -0.025
+1.63 2.93 0.10 1.91 2.01 2.68 0.401 0.301
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !AlaG
+1.60 3.50 -0.016 -0.290 -0.427 -0.094
+1.71 2.99 0.03 1.88 2.05 2.72 0.402 0.148
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !AlaC
+1.60 3.41 0.018 -0.238 -0.393 -0.110
+1.63 2.88 0.02 1.93 2.03 2.70 0.390 0.227
+0.0 0.0 0.0 0.0
+0.0 0.0 0.0 0.0 0.0
+0.0 0.0 !AlaT
+
+
projects / unres4.git / blobdiff