Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
572719 | 2rtv RC | 11539 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HT1 LYS 1 -13.983 -3.127 -0.205
2 H2 LYS 1 HT2 LYS 1 -13.344 -2.903 -1.782
3 H3 LYS 1 HT3 LYS 1 -14.727 -2.019 -1.280
4 HA LYS 1 HA LYS 1 -12.572 -0.807 -1.313
5 HB2 LYS 1 HB2 LYS 1 -14.381 -1.042 1.086
6 HB3 LYS 1 HB1 LYS 1 -13.118 0.178 0.999
7 HG2 LYS 1 HG2 LYS 1 -14.184 1.368 -0.638
8 HG3 LYS 1 HG1 LYS 1 -15.044 -0.043 -1.257
9 HD2 LYS 1 HD2 LYS 1 -16.802 0.880 -0.188
10 HD3 LYS 1 HD1 LYS 1 -16.085 0.116 1.232
11 HE2 LYS 1 HE2 LYS 1 -15.745 2.972 0.328
12 HE3 LYS 1 HE1 LYS 1 -16.605 2.403 1.758
13 HZ1 LYS 1 HZ1 LYS 1 -13.693 2.433 1.258
14 HZ2 LYS 1 HZ2 LYS 1 -14.370 1.436 2.445
15 HZ3 LYS 1 HZ3 LYS 1 -14.550 3.115 2.548
16 H TRP 2 HN TRP 2 -10.662 -2.017 -1.339
17 HA TRP 2 HA TRP 2 -9.749 -3.050 1.260
18 HB2 TRP 2 HB2 TRP 2 -8.579 -3.631 -1.466
19 HB3 TRP 2 HB1 TRP 2 -8.187 -4.435 0.050
20 HD1 TRP 2 HD1 TRP 2 -10.303 -5.901 1.158
21 HE1 TRP 2 HE1 TRP 2 -12.063 -7.328 -0.064
22 HE3 TRP 2 HE3 TRP 2 -9.872 -3.891 -3.523
23 HZ2 TRP 2 HZ2 TRP 2 -13.127 -7.569 -2.667
24 HZ3 TRP 2 HZ3 TRP 2 -11.297 -4.777 -5.323
25 HH2 TRP 2 HH2 TRP 2 -12.890 -6.578 -4.902
26 H CYS 3 HN CYS 3 -8.485 -1.706 2.348
27 HA CYS 3 HA CYS 3 -6.717 0.104 0.839
28 HB2 CYS 3 HB2 CYS 3 -8.535 1.069 2.375
29 HB3 CYS 3 HB1 CYS 3 -7.546 0.489 3.710
30 H PHE 4 HN PHE 4 -4.655 -0.464 0.848
31 HA PHE 4 HA PHE 4 -3.468 -1.510 3.310
32 HB2 PHE 4 HB2 PHE 4 -3.484 -2.872 0.635
33 HB3 PHE 4 HB1 PHE 4 -2.137 -3.112 1.742
34 HD1 PHE 4 HD1 PHE 4 -5.783 -3.526 1.341
35 HD2 PHE 4 HD2 PHE 4 -2.326 -4.541 3.605
36 HE1 PHE 4 HE1 PHE 4 -7.070 -5.259 2.522
37 HE2 PHE 4 HE2 PHE 4 -3.606 -6.277 4.789
38 HZ PHE 4 HZ PHE 4 -5.981 -6.638 4.248
39 H ARG 5 HN ARG 5 -1.983 -0.028 3.783
40 HA ARG 5 HA ARG 5 -0.364 1.093 1.595
41 HB2 ARG 5 HB2 ARG 5 0.140 2.941 3.193
42 HB3 ARG 5 HB1 ARG 5 -1.561 2.818 2.765
43 HG2 ARG 5 HG2 ARG 5 -0.804 1.310 5.159
44 HG3 ARG 5 HG1 ARG 5 -0.602 3.058 5.293
45 HD2 ARG 5 HD2 ARG 5 -3.037 2.911 4.115
46 HD3 ARG 5 HD1 ARG 5 -3.051 1.442 5.090
47 HE ARG 5 HE ARG 5 -2.208 3.321 6.835
48 HH11 ARG 5 HH11 ARG 5 -4.941 3.145 4.672
49 HH12 ARG 5 HH12 ARG 5 -5.962 4.112 5.682
50 HH21 ARG 5 HH21 ARG 5 -3.549 4.593 8.166
51 HH22 ARG 5 HH22 ARG 5 -5.172 4.935 7.665
52 H VAL 6 HN VAL 6 1.748 0.666 1.515
53 HA VAL 6 HA VAL 6 3.173 -0.134 3.932
54 HB VAL 6 HB VAL 6 4.206 -2.078 2.773
55 HG11 VAL 6 HG11 VAL 6 2.244 -3.579 3.013
56 HG12 VAL 6 HG12 VAL 6 1.217 -2.152 3.160
57 HG13 VAL 6 HG13 VAL 6 2.455 -2.476 4.373
58 HG21 VAL 6 HG21 VAL 6 3.639 -1.281 0.469
59 HG22 VAL 6 HG22 VAL 6 1.974 -1.776 0.771
60 HG23 VAL 6 HG23 VAL 6 3.265 -2.977 0.771
61 H CYS 7 HN CYS 7 5.344 0.335 3.899
62 HA CYS 7 HA CYS 7 6.406 1.531 1.427
63 HB2 CYS 7 HB2 CYS 7 5.731 3.018 3.592
64 HB3 CYS 7 HB1 CYS 7 7.403 2.630 3.985
65 H TYR 8 HN TYR 8 8.161 0.514 0.743
66 HA TYR 8 HA TYR 8 9.984 -0.659 2.731
67 HB2 TYR 8 HB2 TYR 8 8.373 -2.193 1.161
68 HB3 TYR 8 HB1 TYR 8 9.807 -2.072 0.146
69 HD1 TYR 8 HD2 TYR 8 8.504 -3.259 3.378
70 HD2 TYR 8 HD1 TYR 8 11.852 -3.174 0.754
71 HE1 TYR 8 HE2 TYR 8 9.582 -5.026 4.705
72 HE2 TYR 8 HE1 TYR 8 12.939 -4.941 2.074
73 HH TYR 8 HH TYR 8 11.878 -6.913 3.736
74 H ARG 9 HN ARG 9 12.188 -0.907 2.003
75 HA ARG 9 HA ARG 9 13.211 1.357 0.735
76 HB2 ARG 9 HB2 ARG 9 14.288 -0.639 2.210
77 HB3 ARG 9 HB1 ARG 9 14.868 -1.090 0.613
78 HG2 ARG 9 HG2 ARG 9 16.143 0.821 0.390
79 HG3 ARG 9 HG1 ARG 9 15.196 1.715 1.580
80 HD2 ARG 9 HD2 ARG 9 16.158 -0.325 3.092
81 HD3 ARG 9 HD1 ARG 9 17.480 -0.096 1.949
82 HE ARG 9 HE ARG 9 16.572 2.366 3.082
83 HH11 ARG 9 HH11 ARG 9 18.603 -0.416 3.644
84 HH12 ARG 9 HH12 ARG 9 19.652 0.416 4.742
85 HH21 ARG 9 HH21 ARG 9 17.952 3.462 4.525
86 HH22 ARG 9 HH22 ARG 9 19.283 2.618 5.242
87 H GLY 10 HN GLY 10 12.199 -1.720 -0.564
88 HA2 GLY 10 HA2 GLY 10 13.341 -1.097 -3.183
89 HA3 GLY 10 HA1 GLY 10 12.576 -2.609 -2.718
90 H ILE 11 HN ILE 11 10.276 -1.100 -1.537
91 HA ILE 11 HA ILE 11 9.046 0.141 -3.862
92 HB ILE 11 HB ILE 11 7.008 -1.344 -3.606
93 HG12 ILE 11 HG12 ILE 11 9.024 -3.102 -2.187
94 HG13 ILE 11 HG11 ILE 11 7.609 -2.354 -1.452
95 HG21 ILE 11 HG21 ILE 11 7.875 -3.037 -5.104
96 HG22 ILE 11 HG22 ILE 11 9.527 -2.660 -4.614
97 HG23 ILE 11 HG23 ILE 11 8.575 -1.467 -5.500
98 HD11 ILE 11 HD11 ILE 11 6.586 -4.281 -1.875
99 HD12 ILE 11 HD12 ILE 11 7.838 -4.797 -3.005
100 HD13 ILE 11 HD13 ILE 11 6.534 -3.745 -3.554
101 H CYS 12 HN CYS 12 8.031 1.891 -3.162
102 HA CYS 12 HA CYS 12 6.690 1.803 -0.545
103 HB2 CYS 12 HB2 CYS 12 8.818 3.608 -1.464
104 HB3 CYS 12 HB1 CYS 12 7.427 4.436 -0.772
105 H TYR 13 HN TYR 13 4.590 1.881 -1.027
106 HA TYR 13 HA TYR 13 3.528 4.185 -2.377
107 HB2 TYR 13 HB2 TYR 13 2.198 2.728 -4.006
108 HB3 TYR 13 HB1 TYR 13 3.900 2.985 -4.375
109 HD1 TYR 13 HD1 TYR 13 1.784 0.566 -2.457
110 HD2 TYR 13 HD2 TYR 13 5.103 1.142 -5.055
111 HE1 TYR 13 HE1 TYR 13 2.122 -1.867 -2.555
112 HE2 TYR 13 HE2 TYR 13 5.450 -1.290 -5.161
113 HH TYR 13 HH TYR 13 4.179 -3.348 -4.827
114 H ARG 14 HN ARG 14 1.129 4.187 -2.359
115 HA ARG 14 HA ARG 14 0.072 2.506 -0.181
116 HB2 ARG 14 HB2 ARG 14 -1.443 4.507 0.296
117 HB3 ARG 14 HB1 ARG 14 0.245 4.654 0.766
118 HG2 ARG 14 HG2 ARG 14 -0.523 5.640 -1.922
119 HG3 ARG 14 HG1 ARG 14 -1.038 6.577 -0.518
120 HD2 ARG 14 HD2 ARG 14 1.268 6.717 0.252
121 HD3 ARG 14 HD1 ARG 14 1.797 5.734 -1.112
122 HE ARG 14 HE ARG 14 0.391 8.091 -1.924
123 HH11 ARG 14 HH11 ARG 14 3.496 6.857 -0.919
124 HH12 ARG 14 HH12 ARG 14 4.391 8.104 -1.721
125 HH21 ARG 14 HH21 ARG 14 1.566 9.731 -2.981
126 HH22 ARG 14 HH22 ARG 14 3.295 9.736 -2.891
127 H ARG 15 HN ARG 15 -1.933 1.625 -0.444
128 HA ARG 15 HA ARG 15 -3.308 2.194 -2.987
129 HB2 ARG 15 HB2 ARG 15 -2.177 0.003 -3.035
130 HB3 ARG 15 HB1 ARG 15 -3.070 -0.483 -1.600
131 HG2 ARG 15 HG2 ARG 15 -4.021 -1.410 -3.661
132 HG3 ARG 15 HG1 ARG 15 -5.157 -0.361 -2.809
133 HD2 ARG 15 HD2 ARG 15 -4.956 1.341 -4.378
134 HD3 ARG 15 HD1 ARG 15 -3.414 0.735 -4.981
135 HE ARG 15 HE ARG 15 -6.034 -0.044 -5.843
136 HH11 ARG 15 HH11 ARG 15 -2.715 -1.082 -5.554
137 HH12 ARG 15 HH12 ARG 15 -2.834 -2.240 -6.836
138 HH21 ARG 15 HH21 ARG 15 -6.194 -1.567 -7.529
139 HH22 ARG 15 HH22 ARG 15 -4.809 -2.515 -7.957
140 H CYS 16 HN CYS 16 -5.249 3.040 -2.683
141 HA CYS 16 HA CYS 16 -7.087 1.937 -0.770
142 HB2 CYS 16 HB2 CYS 16 -5.506 3.794 0.334
143 HB3 CYS 16 HB1 CYS 16 -6.708 4.861 -0.382
144 H ARG 17 HN ARG 17 -8.101 1.576 -2.851
145 HA ARG 17 HA ARG 17 -9.544 3.965 -3.792
146 HB2 ARG 17 HB2 ARG 17 -7.717 2.836 -5.330
147 HB3 ARG 17 HB1 ARG 17 -9.013 1.694 -5.658
148 HG2 ARG 17 HG2 ARG 17 -9.742 4.538 -5.864
149 HG3 ARG 17 HG1 ARG 17 -8.595 3.946 -7.067
150 HD2 ARG 17 HD2 ARG 17 -10.447 1.949 -7.043
151 HD3 ARG 17 HD1 ARG 17 -11.451 3.363 -6.725
152 HE ARG 17 HE ARG 17 -10.193 2.670 -9.191
153 HH11 ARG 17 HH11 ARG 17 -11.248 5.365 -7.241
154 HH12 ARG 17 HH12 ARG 17 -11.445 6.428 -8.594
155 HH21 ARG 17 HH21 ARG 17 -10.451 4.067 -10.972
156 HH22 ARG 17 HH22 ARG 17 -10.993 5.692 -10.712
157 HN1 NH2 18 HN1 NH2 18 -10.375 2.107 -1.776
158 HN2 NH2 18 HN2 NH2 18 -11.791 1.308 -2.361
Start of MODEL 2
1 H1 LYS 1 HT1 LYS 1 -11.004 -4.537 4.789
2 H2 LYS 1 HT2 LYS 1 -9.969 -4.619 6.155
3 H3 LYS 1 HT3 LYS 1 -9.383 -5.063 4.605
4 HA LYS 1 HA LYS 1 -10.037 -2.409 5.653
5 HB2 LYS 1 HB2 LYS 1 -7.642 -3.431 4.125
6 HB3 LYS 1 HB1 LYS 1 -7.774 -1.931 5.034
7 HG2 LYS 1 HG2 LYS 1 -7.829 -4.699 6.218
8 HG3 LYS 1 HG1 LYS 1 -6.439 -3.611 6.208
9 HD2 LYS 1 HD2 LYS 1 -7.391 -2.170 7.743
10 HD3 LYS 1 HD1 LYS 1 -9.035 -2.685 7.362
11 HE2 LYS 1 HE2 LYS 1 -8.116 -3.437 9.597
12 HE3 LYS 1 HE1 LYS 1 -8.790 -4.697 8.566
13 HZ1 LYS 1 HZ1 LYS 1 -6.494 -5.016 9.725
14 HZ2 LYS 1 HZ2 LYS 1 -5.916 -4.130 8.406
15 HZ3 LYS 1 HZ3 LYS 1 -6.741 -5.585 8.150
16 H TRP 2 HN TRP 2 -10.100 -0.660 4.177
17 HA TRP 2 HA TRP 2 -11.078 -1.435 1.521
18 HB2 TRP 2 HB2 TRP 2 -11.934 0.971 1.499
19 HB3 TRP 2 HB1 TRP 2 -12.705 -0.133 2.634
20 HD1 TRP 2 HD1 TRP 2 -9.339 1.603 3.327
21 HE1 TRP 2 HE1 TRP 2 -9.630 3.142 5.369
22 HE3 TRP 2 HE3 TRP 2 -14.384 1.119 3.998
23 HZ2 TRP 2 HZ2 TRP 2 -11.720 4.032 7.044
24 HZ3 TRP 2 HZ3 TRP 2 -15.451 2.348 5.843
25 HH2 TRP 2 HH2 TRP 2 -14.146 3.774 7.334
26 H CYS 3 HN CYS 3 -8.238 -1.301 2.218
27 HA CYS 3 HA CYS 3 -7.368 0.265 -0.028
28 HB2 CYS 3 HB2 CYS 3 -6.873 1.176 2.771
29 HB3 CYS 3 HB1 CYS 3 -5.583 1.379 1.590
30 H PHE 4 HN PHE 4 -4.755 0.280 0.116
31 HA PHE 4 HA PHE 4 -3.783 -2.247 1.191
32 HB2 PHE 4 HB2 PHE 4 -4.677 -2.251 -1.371
33 HB3 PHE 4 HB1 PHE 4 -2.997 -1.784 -1.621
34 HD1 PHE 4 HD1 PHE 4 -4.867 -4.242 0.482
35 HD2 PHE 4 HD2 PHE 4 -1.577 -3.505 -2.114
36 HE1 PHE 4 HE1 PHE 4 -4.190 -6.599 0.679
37 HE2 PHE 4 HE2 PHE 4 -0.893 -5.861 -1.923
38 HZ PHE 4 HZ PHE 4 -2.200 -7.412 -0.526
39 H ARG 5 HN ARG 5 -2.219 -1.413 2.445
40 HA ARG 5 HA ARG 5 -0.434 0.626 1.331
41 HB2 ARG 5 HB2 ARG 5 0.326 0.965 3.629
42 HB3 ARG 5 HB1 ARG 5 -1.424 1.100 3.523
43 HG2 ARG 5 HG2 ARG 5 -1.125 -1.534 4.118
44 HG3 ARG 5 HG1 ARG 5 0.238 -0.820 4.982
45 HD2 ARG 5 HD2 ARG 5 -2.225 0.702 5.297
46 HD3 ARG 5 HD1 ARG 5 -2.372 -0.958 5.872
47 HE ARG 5 HE ARG 5 -0.924 -0.469 7.586
48 HH11 ARG 5 HH11 ARG 5 -0.863 2.127 5.254
49 HH12 ARG 5 HH12 ARG 5 0.058 3.185 6.270
50 HH21 ARG 5 HH21 ARG 5 0.287 0.920 8.922
51 HH22 ARG 5 HH22 ARG 5 0.711 2.500 8.351
52 H VAL 6 HN VAL 6 1.264 -0.166 0.277
53 HA VAL 6 HA VAL 6 2.680 -2.474 1.449
54 HB VAL 6 HB VAL 6 3.476 -2.928 -0.917
55 HG11 VAL 6 HG11 VAL 6 2.022 -4.553 -0.322
56 HG12 VAL 6 HG12 VAL 6 0.996 -3.762 -1.519
57 HG13 VAL 6 HG13 VAL 6 0.784 -3.407 0.195
58 HG21 VAL 6 HG21 VAL 6 2.356 -0.537 -1.515
59 HG22 VAL 6 HG22 VAL 6 1.070 -1.636 -2.009
60 HG23 VAL 6 HG23 VAL 6 2.684 -1.802 -2.698
61 H CYS 7 HN CYS 7 4.218 -1.335 2.576
62 HA CYS 7 HA CYS 7 5.883 0.556 1.065
63 HB2 CYS 7 HB2 CYS 7 4.749 0.977 3.446
64 HB3 CYS 7 HB1 CYS 7 6.229 0.202 4.001
65 H TYR 8 HN TYR 8 7.703 -0.217 0.253
66 HA TYR 8 HA TYR 8 8.943 -2.566 1.500
67 HB2 TYR 8 HB2 TYR 8 9.275 -1.357 -1.251
68 HB3 TYR 8 HB1 TYR 8 10.217 -2.720 -0.656
69 HD1 TYR 8 HD1 TYR 8 6.800 -1.609 -1.540
70 HD2 TYR 8 HD2 TYR 8 9.328 -4.918 -0.670
71 HE1 TYR 8 HE1 TYR 8 5.039 -3.147 -2.300
72 HE2 TYR 8 HE2 TYR 8 7.575 -6.465 -1.429
73 HH TYR 8 HH TYR 8 5.186 -6.525 -1.754
74 H ARG 9 HN ARG 9 11.224 -2.636 1.823
75 HA ARG 9 HA ARG 9 12.306 -0.411 3.093
76 HB2 ARG 9 HB2 ARG 9 13.403 -2.997 2.099
77 HB3 ARG 9 HB1 ARG 9 14.545 -1.745 2.565
78 HG2 ARG 9 HG2 ARG 9 13.618 -1.664 4.788
79 HG3 ARG 9 HG1 ARG 9 12.356 -2.810 4.337
80 HD2 ARG 9 HD2 ARG 9 13.753 -4.591 4.429
81 HD3 ARG 9 HD1 ARG 9 15.141 -3.668 3.856
82 HE ARG 9 HE ARG 9 14.362 -2.901 6.489
83 HH11 ARG 9 HH11 ARG 9 16.106 -5.325 4.681
84 HH12 ARG 9 HH12 ARG 9 17.137 -5.749 6.005
85 HH21 ARG 9 HH21 ARG 9 15.719 -3.458 8.232
86 HH22 ARG 9 HH22 ARG 9 16.919 -4.690 8.021
87 H GLY 10 HN GLY 10 12.388 -1.344 -0.265
88 HA2 GLY 10 HA2 GLY 10 14.471 0.564 -0.927
89 HA3 GLY 10 HA1 GLY 10 13.605 -0.471 -2.053
90 H ILE 11 HN ILE 11 10.968 0.321 -1.205
91 HA ILE 11 HA ILE 11 10.777 3.178 -1.558
92 HB ILE 11 HB ILE 11 9.351 2.992 -3.608
93 HG12 ILE 11 HG12 ILE 11 10.193 0.800 -4.938
94 HG13 ILE 11 HG11 ILE 11 10.169 0.160 -3.298
95 HG21 ILE 11 HG21 ILE 11 11.727 3.732 -3.621
96 HG22 ILE 11 HG22 ILE 11 11.192 3.009 -5.138
97 HG23 ILE 11 HG23 ILE 11 12.191 2.077 -4.022
98 HD11 ILE 11 HD11 ILE 11 8.075 -0.332 -4.270
99 HD12 ILE 11 HD12 ILE 11 7.882 1.319 -4.858
100 HD13 ILE 11 HD13 ILE 11 7.805 0.984 -3.129
101 H CYS 12 HN CYS 12 8.386 3.812 -1.816
102 HA CYS 12 HA CYS 12 6.688 1.922 -0.327
103 HB2 CYS 12 HB2 CYS 12 7.665 4.033 0.913
104 HB3 CYS 12 HB1 CYS 12 6.372 4.872 0.063
105 H TYR 13 HN TYR 13 4.431 2.067 -0.720
106 HA TYR 13 HA TYR 13 3.463 3.820 -2.804
107 HB2 TYR 13 HB2 TYR 13 4.514 1.906 -4.033
108 HB3 TYR 13 HB1 TYR 13 3.369 0.828 -3.241
109 HD1 TYR 13 HD1 TYR 13 3.632 3.696 -5.574
110 HD2 TYR 13 HD2 TYR 13 1.177 0.561 -4.074
111 HE1 TYR 13 HE1 TYR 13 1.998 4.129 -7.361
112 HE2 TYR 13 HE2 TYR 13 -0.462 0.984 -5.858
113 HH TYR 13 HH TYR 13 -0.304 2.055 -8.289
114 H ARG 14 HN ARG 14 1.112 3.528 -3.176
115 HA ARG 14 HA ARG 14 -0.276 2.154 -0.994
116 HB2 ARG 14 HB2 ARG 14 -0.737 5.049 -1.738
117 HB3 ARG 14 HB1 ARG 14 -1.687 4.129 -0.580
118 HG2 ARG 14 HG2 ARG 14 0.137 3.972 0.927
119 HG3 ARG 14 HG1 ARG 14 1.266 4.595 -0.278
120 HD2 ARG 14 HD2 ARG 14 0.931 6.552 0.778
121 HD3 ARG 14 HD1 ARG 14 -0.536 6.607 -0.198
122 HE ARG 14 HE ARG 14 -1.307 5.271 2.030
123 HH11 ARG 14 HH11 ARG 14 0.285 8.329 1.492
124 HH12 ARG 14 HH12 ARG 14 -0.372 9.064 2.916
125 HH21 ARG 14 HH21 ARG 14 -2.172 6.236 3.903
126 HH22 ARG 14 HH22 ARG 14 -1.768 7.875 4.285
127 H ARG 15 HN ARG 15 -2.545 1.803 -1.395
128 HA ARG 15 HA ARG 15 -3.471 2.265 -4.124
129 HB2 ARG 15 HB2 ARG 15 -2.266 -0.018 -3.857
130 HB3 ARG 15 HB1 ARG 15 -3.707 -0.498 -2.971
131 HG2 ARG 15 HG2 ARG 15 -4.451 -1.141 -4.979
132 HG3 ARG 15 HG1 ARG 15 -4.808 0.573 -5.204
133 HD2 ARG 15 HD2 ARG 15 -2.052 -0.220 -5.842
134 HD3 ARG 15 HD1 ARG 15 -3.288 -0.921 -6.885
135 HE ARG 15 HE ARG 15 -2.462 1.830 -6.778
136 HH11 ARG 15 HH11 ARG 15 -5.053 -0.347 -7.628
137 HH12 ARG 15 HH12 ARG 15 -5.769 0.748 -8.763
138 HH21 ARG 15 HH21 ARG 15 -3.401 3.271 -8.270
139 HH22 ARG 15 HH22 ARG 15 -4.831 2.802 -9.128
140 H CYS 16 HN CYS 16 -5.470 3.027 -4.040
141 HA CYS 16 HA CYS 16 -7.405 1.901 -2.195
142 HB2 CYS 16 HB2 CYS 16 -6.637 4.825 -2.122
143 HB3 CYS 16 HB1 CYS 16 -8.070 4.157 -1.347
144 H ARG 17 HN ARG 17 -9.510 2.114 -2.884
145 HA ARG 17 HA ARG 17 -9.848 2.876 -5.649
146 HB2 ARG 17 HB2 ARG 17 -12.001 1.952 -3.749
147 HB3 ARG 17 HB1 ARG 17 -12.004 1.866 -5.504
148 HG2 ARG 17 HG2 ARG 17 -9.828 0.393 -5.009
149 HG3 ARG 17 HG1 ARG 17 -10.727 0.096 -3.519
150 HD2 ARG 17 HD2 ARG 17 -12.712 -0.462 -4.977
151 HD3 ARG 17 HD1 ARG 17 -11.606 -0.430 -6.349
152 HE ARG 17 HE ARG 17 -10.768 -2.455 -5.682
153 HH11 ARG 17 HH11 ARG 17 -12.649 -1.091 -3.078
154 HH12 ARG 17 HH12 ARG 17 -12.593 -2.530 -2.116
155 HH21 ARG 17 HH21 ARG 17 -10.694 -4.350 -4.419
156 HH22 ARG 17 HH22 ARG 17 -11.484 -4.380 -2.877
157 HN1 NH2 18 HN1 NH2 18 -10.618 4.752 -6.365
158 HN2 NH2 18 HN2 NH2 18 -11.417 5.952 -5.413
Start of MODEL 3
1 H1 LYS 1 HT1 LYS 1 -12.936 -4.753 -1.273
2 H2 LYS 1 HT2 LYS 1 -11.883 -5.594 -2.336
3 H3 LYS 1 HT3 LYS 1 -11.825 -3.881 -2.244
4 HA LYS 1 HA LYS 1 -11.281 -5.629 0.049
5 HB2 LYS 1 HB2 LYS 1 -9.792 -6.042 -1.965
6 HB3 LYS 1 HB1 LYS 1 -9.251 -4.377 -1.805
7 HG2 LYS 1 HG2 LYS 1 -8.189 -4.793 0.233
8 HG3 LYS 1 HG1 LYS 1 -9.064 -6.306 0.480
9 HD2 LYS 1 HD2 LYS 1 -7.874 -7.174 -1.580
10 HD3 LYS 1 HD1 LYS 1 -6.854 -5.737 -1.485
11 HE2 LYS 1 HE2 LYS 1 -5.726 -6.497 0.320
12 HE3 LYS 1 HE1 LYS 1 -7.150 -7.269 1.016
13 HZ1 LYS 1 HZ1 LYS 1 -5.156 -8.654 0.021
14 HZ2 LYS 1 HZ2 LYS 1 -6.030 -8.447 -1.412
15 HZ3 LYS 1 HZ3 LYS 1 -6.755 -9.198 -0.081
16 H TRP 2 HN TRP 2 -9.852 -4.440 1.588
17 HA TRP 2 HA TRP 2 -10.882 -1.753 1.952
18 HB2 TRP 2 HB2 TRP 2 -9.383 -3.700 3.666
19 HB3 TRP 2 HB1 TRP 2 -9.405 -1.996 4.108
20 HD1 TRP 2 HD1 TRP 2 -11.307 -5.091 4.618
21 HE1 TRP 2 HE1 TRP 2 -13.630 -4.592 5.604
22 HE3 TRP 2 HE3 TRP 2 -11.467 -0.046 3.804
23 HZ2 TRP 2 HZ2 TRP 2 -15.309 -2.355 5.988
24 HZ3 TRP 2 HZ3 TRP 2 -13.468 1.199 4.511
25 HH2 TRP 2 HH2 TRP 2 -15.350 0.067 5.579
26 H CYS 3 HN CYS 3 -9.277 -0.088 2.836
27 HA CYS 3 HA CYS 3 -7.197 0.230 0.853
28 HB2 CYS 3 HB2 CYS 3 -8.220 2.012 3.065
29 HB3 CYS 3 HB1 CYS 3 -6.869 2.455 2.026
30 H PHE 4 HN PHE 4 -5.043 0.071 1.159
31 HA PHE 4 HA PHE 4 -3.955 -0.101 3.852
32 HB2 PHE 4 HB2 PHE 4 -2.686 -2.212 3.179
33 HB3 PHE 4 HB1 PHE 4 -4.397 -2.405 3.546
34 HD1 PHE 4 HD1 PHE 4 -1.887 -2.329 0.866
35 HD2 PHE 4 HD2 PHE 4 -5.962 -3.054 1.863
36 HE1 PHE 4 HE1 PHE 4 -2.233 -3.382 -1.330
37 HE2 PHE 4 HE2 PHE 4 -6.314 -4.110 -0.331
38 HZ PHE 4 HZ PHE 4 -4.448 -4.275 -1.931
39 H ARG 5 HN ARG 5 -1.565 -0.119 3.847
40 HA ARG 5 HA ARG 5 -0.400 0.952 1.372
41 HB2 ARG 5 HB2 ARG 5 -0.556 2.258 4.040
42 HB3 ARG 5 HB1 ARG 5 0.939 2.445 3.136
43 HG2 ARG 5 HG2 ARG 5 -0.134 4.244 2.313
44 HG3 ARG 5 HG1 ARG 5 -0.812 3.049 1.206
45 HD2 ARG 5 HD2 ARG 5 -2.769 3.947 1.891
46 HD3 ARG 5 HD1 ARG 5 -2.555 2.825 3.235
47 HE ARG 5 HE ARG 5 -1.309 5.321 3.769
48 HH11 ARG 5 HH11 ARG 5 -4.421 3.745 3.669
49 HH12 ARG 5 HH12 ARG 5 -5.135 4.806 4.836
50 HH21 ARG 5 HH21 ARG 5 -2.247 6.718 5.304
51 HH22 ARG 5 HH22 ARG 5 -3.901 6.495 5.764
52 H VAL 6 HN VAL 6 1.639 0.283 0.937
53 HA VAL 6 HA VAL 6 3.039 -1.266 3.014
54 HB VAL 6 HB VAL 6 2.014 -2.815 1.409
55 HG11 VAL 6 HG11 VAL 6 2.212 -1.063 -0.489
56 HG12 VAL 6 HG12 VAL 6 2.368 -2.776 -0.879
57 HG13 VAL 6 HG13 VAL 6 3.808 -1.766 -0.743
58 HG21 VAL 6 HG21 VAL 6 5.018 -2.616 1.236
59 HG22 VAL 6 HG22 VAL 6 4.078 -4.031 0.763
60 HG23 VAL 6 HG23 VAL 6 4.080 -3.495 2.442
61 H CYS 7 HN CYS 7 4.837 -0.198 3.503
62 HA CYS 7 HA CYS 7 6.290 1.187 1.350
63 HB2 CYS 7 HB2 CYS 7 5.387 2.365 3.543
64 HB3 CYS 7 HB1 CYS 7 6.869 1.711 4.232
65 H TYR 8 HN TYR 8 8.189 0.399 0.734
66 HA TYR 8 HA TYR 8 9.702 -1.282 2.614
67 HB2 TYR 8 HB2 TYR 8 8.428 -2.171 0.254
68 HB3 TYR 8 HB1 TYR 8 10.153 -2.140 -0.094
69 HD1 TYR 8 HD1 TYR 8 11.673 -3.233 1.768
70 HD2 TYR 8 HD2 TYR 8 7.532 -4.057 1.244
71 HE1 TYR 8 HE1 TYR 8 11.953 -5.368 2.956
72 HE2 TYR 8 HE2 TYR 8 7.800 -6.194 2.431
73 HH TYR 8 HH TYR 8 9.286 -7.259 3.995
74 H ARG 9 HN ARG 9 11.981 -1.325 2.284
75 HA ARG 9 HA ARG 9 13.129 1.151 1.699
76 HB2 ARG 9 HB2 ARG 9 14.159 -0.585 3.140
77 HB3 ARG 9 HB1 ARG 9 14.499 -1.544 1.706
78 HG2 ARG 9 HG2 ARG 9 16.508 -0.459 2.220
79 HG3 ARG 9 HG1 ARG 9 15.827 0.448 0.867
80 HD2 ARG 9 HD2 ARG 9 14.742 1.757 2.984
81 HD3 ARG 9 HD1 ARG 9 16.297 1.263 3.651
82 HE ARG 9 HE ARG 9 15.856 3.334 1.789
83 HH11 ARG 9 HH11 ARG 9 18.086 0.742 2.484
84 HH12 ARG 9 HH12 ARG 9 19.434 1.533 1.740
85 HH21 ARG 9 HH21 ARG 9 17.628 4.378 0.808
86 HH22 ARG 9 HH22 ARG 9 19.174 3.597 0.788
87 H GLY 10 HN GLY 10 12.513 -1.625 -0.333
88 HA2 GLY 10 HA2 GLY 10 14.086 -0.513 -2.525
89 HA3 GLY 10 HA1 GLY 10 13.256 -2.062 -2.520
90 H ILE 11 HN ILE 11 10.761 -0.776 -1.520
91 HA ILE 11 HA ILE 11 9.959 1.046 -3.607
92 HB ILE 11 HB ILE 11 8.081 -0.435 -4.381
93 HG12 ILE 11 HG12 ILE 11 9.755 -2.586 -3.064
94 HG13 ILE 11 HG11 ILE 11 8.168 -2.051 -2.523
95 HG21 ILE 11 HG21 ILE 11 10.791 -1.571 -5.025
96 HG22 ILE 11 HG22 ILE 11 10.234 -0.008 -5.624
97 HG23 ILE 11 HG23 ILE 11 9.372 -1.482 -6.067
98 HD11 ILE 11 HD11 ILE 11 8.900 -3.635 -4.946
99 HD12 ILE 11 HD12 ILE 11 7.386 -2.731 -4.881
100 HD13 ILE 11 HD13 ILE 11 7.712 -3.992 -3.691
101 H CYS 12 HN CYS 12 8.228 2.254 -3.014
102 HA CYS 12 HA CYS 12 6.606 1.367 -0.739
103 HB2 CYS 12 HB2 CYS 12 8.400 2.823 0.145
104 HB3 CYS 12 HB1 CYS 12 7.881 4.104 -0.944
105 H TYR 13 HN TYR 13 4.605 1.302 -1.513
106 HA TYR 13 HA TYR 13 3.596 3.641 -2.969
107 HB2 TYR 13 HB2 TYR 13 3.550 0.786 -3.858
108 HB3 TYR 13 HB1 TYR 13 2.196 1.829 -4.280
109 HD1 TYR 13 HD1 TYR 13 3.417 4.373 -4.891
110 HD2 TYR 13 HD2 TYR 13 4.820 0.452 -5.762
111 HE1 TYR 13 HE1 TYR 13 4.691 5.259 -6.798
112 HE2 TYR 13 HE2 TYR 13 6.098 1.327 -7.671
113 HH TYR 13 HH TYR 13 7.048 3.417 -8.451
114 H ARG 14 HN ARG 14 1.067 3.265 -3.260
115 HA ARG 14 HA ARG 14 -0.046 2.112 -0.807
116 HB2 ARG 14 HB2 ARG 14 -1.538 4.189 -0.673
117 HB3 ARG 14 HB1 ARG 14 0.131 4.358 -0.142
118 HG2 ARG 14 HG2 ARG 14 -0.680 5.056 -2.939
119 HG3 ARG 14 HG1 ARG 14 -0.884 6.200 -1.611
120 HD2 ARG 14 HD2 ARG 14 1.706 5.243 -1.309
121 HD3 ARG 14 HD1 ARG 14 1.511 5.437 -3.052
122 HE ARG 14 HE ARG 14 1.465 7.710 -2.764
123 HH11 ARG 14 HH11 ARG 14 1.032 6.162 0.335
124 HH12 ARG 14 HH12 ARG 14 1.174 7.638 1.231
125 HH21 ARG 14 HH21 ARG 14 1.651 9.650 -1.587
126 HH22 ARG 14 HH22 ARG 14 1.525 9.618 0.140
127 H ARG 15 HN ARG 15 -2.430 1.913 -0.897
128 HA ARG 15 HA ARG 15 -3.609 1.983 -3.556
129 HB2 ARG 15 HB2 ARG 15 -2.460 -0.251 -3.278
130 HB3 ARG 15 HB1 ARG 15 -3.594 -0.590 -1.977
131 HG2 ARG 15 HG2 ARG 15 -4.783 -1.548 -3.620
132 HG3 ARG 15 HG1 ARG 15 -5.310 0.107 -3.932
133 HD2 ARG 15 HD2 ARG 15 -3.763 0.370 -5.697
134 HD3 ARG 15 HD1 ARG 15 -2.886 -1.091 -5.244
135 HE ARG 15 HE ARG 15 -4.415 -2.335 -6.411
136 HH11 ARG 15 HH11 ARG 15 -5.679 0.887 -5.959
137 HH12 ARG 15 HH12 ARG 15 -7.030 0.640 -7.015
138 HH21 ARG 15 HH21 ARG 15 -6.191 -2.661 -7.800
139 HH22 ARG 15 HH22 ARG 15 -7.321 -1.375 -8.060
140 H CYS 16 HN CYS 16 -5.420 3.082 -3.209
141 HA CYS 16 HA CYS 16 -7.377 2.096 -1.342
142 HB2 CYS 16 HB2 CYS 16 -5.959 3.537 0.098
143 HB3 CYS 16 HB1 CYS 16 -6.293 4.896 -0.970
144 H ARG 17 HN ARG 17 -9.463 2.864 -1.757
145 HA ARG 17 HA ARG 17 -9.726 4.250 -4.330
146 HB2 ARG 17 HB2 ARG 17 -11.357 2.222 -2.881
147 HB3 ARG 17 HB1 ARG 17 -12.204 3.362 -3.919
148 HG2 ARG 17 HG2 ARG 17 -11.062 2.620 -5.841
149 HG3 ARG 17 HG1 ARG 17 -9.875 1.733 -4.883
150 HD2 ARG 17 HD2 ARG 17 -11.243 -0.039 -4.582
151 HD3 ARG 17 HD1 ARG 17 -12.689 0.964 -4.471
152 HE ARG 17 HE ARG 17 -13.063 0.522 -6.669
153 HH11 ARG 17 HH11 ARG 17 -9.650 0.131 -6.057
154 HH12 ARG 17 HH12 ARG 17 -9.294 -0.398 -7.668
155 HH21 ARG 17 HH21 ARG 17 -12.598 -0.173 -8.787
156 HH22 ARG 17 HH22 ARG 17 -10.968 -0.570 -9.217
157 HN1 NH2 18 HN1 NH2 18 -12.074 5.364 -4.369
158 HN2 NH2 18 HN2 NH2 18 -12.296 6.527 -3.112
Start of MODEL 4
1 H1 LYS 1 HT1 LYS 1 -7.152 -5.419 3.594
2 H2 LYS 1 HT2 LYS 1 -8.664 -5.712 4.351
3 H3 LYS 1 HT3 LYS 1 -7.287 -5.335 5.301
4 HA LYS 1 HA LYS 1 -8.942 -3.530 4.944
5 HB2 LYS 1 HB2 LYS 1 -7.160 -1.878 4.788
6 HB3 LYS 1 HB1 LYS 1 -6.633 -3.239 5.770
7 HG2 LYS 1 HG2 LYS 1 -5.724 -4.041 3.379
8 HG3 LYS 1 HG1 LYS 1 -5.653 -2.292 3.156
9 HD2 LYS 1 HD2 LYS 1 -3.635 -2.499 4.136
10 HD3 LYS 1 HD1 LYS 1 -4.578 -2.525 5.629
11 HE2 LYS 1 HE2 LYS 1 -4.196 -4.722 5.987
12 HE3 LYS 1 HE1 LYS 1 -4.261 -5.121 4.270
13 HZ1 LYS 1 HZ1 LYS 1 -2.002 -3.724 4.365
14 HZ2 LYS 1 HZ2 LYS 1 -2.063 -5.402 4.567
15 HZ3 LYS 1 HZ3 LYS 1 -1.986 -4.391 5.920
16 H TRP 2 HN TRP 2 -9.434 -1.724 3.524
17 HA TRP 2 HA TRP 2 -9.530 -2.582 0.722
18 HB2 TRP 2 HB2 TRP 2 -11.257 -0.706 0.558
19 HB3 TRP 2 HB1 TRP 2 -11.705 -2.114 1.515
20 HD1 TRP 2 HD1 TRP 2 -9.468 0.696 2.887
21 HE1 TRP 2 HE1 TRP 2 -10.703 1.836 4.835
22 HE3 TRP 2 HE3 TRP 2 -13.976 -1.683 2.496
23 HZ2 TRP 2 HZ2 TRP 2 -13.251 1.741 6.047
24 HZ3 TRP 2 HZ3 TRP 2 -15.759 -1.102 4.088
25 HH2 TRP 2 HH2 TRP 2 -15.402 0.576 5.827
26 H CYS 3 HN CYS 3 -7.130 -1.444 1.897
27 HA CYS 3 HA CYS 3 -6.769 0.749 0.005
28 HB2 CYS 3 HB2 CYS 3 -7.273 1.432 2.554
29 HB3 CYS 3 HB1 CYS 3 -5.535 1.173 2.673
30 H PHE 4 HN PHE 4 -5.102 0.189 -1.216
31 HA PHE 4 HA PHE 4 -3.165 -1.744 -0.319
32 HB2 PHE 4 HB2 PHE 4 -3.278 -0.159 -2.894
33 HB3 PHE 4 HB1 PHE 4 -2.231 -1.539 -2.580
34 HD1 PHE 4 HD2 PHE 4 -3.139 -3.792 -2.477
35 HD2 PHE 4 HD1 PHE 4 -5.620 -0.446 -3.348
36 HE1 PHE 4 HE2 PHE 4 -4.892 -5.311 -3.296
37 HE2 PHE 4 HE1 PHE 4 -7.378 -1.958 -4.169
38 HZ PHE 4 HZ PHE 4 -7.016 -4.394 -4.143
39 H ARG 5 HN ARG 5 -2.320 -0.465 1.465
40 HA ARG 5 HA ARG 5 -0.355 1.537 0.560
41 HB2 ARG 5 HB2 ARG 5 -0.531 2.403 2.961
42 HB3 ARG 5 HB1 ARG 5 -1.880 2.740 1.885
43 HG2 ARG 5 HG2 ARG 5 -3.289 1.288 2.973
44 HG3 ARG 5 HG1 ARG 5 -1.964 0.308 3.605
45 HD2 ARG 5 HD2 ARG 5 -1.366 2.482 4.919
46 HD3 ARG 5 HD1 ARG 5 -3.046 2.909 4.600
47 HE ARG 5 HE ARG 5 -2.079 0.919 6.433
48 HH11 ARG 5 HH11 ARG 5 -4.790 1.929 4.482
49 HH12 ARG 5 HH12 ARG 5 -5.958 1.097 5.452
50 HH21 ARG 5 HH21 ARG 5 -3.615 -0.177 7.710
51 HH22 ARG 5 HH22 ARG 5 -5.291 -0.099 7.284
52 H VAL 6 HN VAL 6 1.327 0.079 0.291
53 HA VAL 6 HA VAL 6 2.326 -1.143 2.781
54 HB VAL 6 HB VAL 6 2.761 -2.259 0.009
55 HG11 VAL 6 HG11 VAL 6 4.528 -2.919 1.435
56 HG12 VAL 6 HG12 VAL 6 3.422 -4.290 1.362
57 HG13 VAL 6 HG13 VAL 6 3.428 -3.236 2.776
58 HG21 VAL 6 HG21 VAL 6 0.577 -2.826 0.202
59 HG22 VAL 6 HG22 VAL 6 0.576 -2.665 1.958
60 HG23 VAL 6 HG23 VAL 6 1.239 -4.116 1.204
61 H CYS 7 HN CYS 7 4.583 -1.166 3.082
62 HA CYS 7 HA CYS 7 6.144 0.495 1.227
63 HB2 CYS 7 HB2 CYS 7 5.663 0.920 4.131
64 HB3 CYS 7 HB1 CYS 7 7.288 1.231 3.531
65 H TYR 8 HN TYR 8 7.435 -1.052 0.391
66 HA TYR 8 HA TYR 8 8.569 -3.136 2.025
67 HB2 TYR 8 HB2 TYR 8 8.965 -2.369 -0.870
68 HB3 TYR 8 HB1 TYR 8 9.780 -3.731 -0.109
69 HD1 TYR 8 HD2 TYR 8 8.407 -5.641 0.766
70 HD2 TYR 8 HD1 TYR 8 6.727 -2.546 -1.622
71 HE1 TYR 8 HE2 TYR 8 6.474 -7.078 0.275
72 HE2 TYR 8 HE1 TYR 8 4.788 -3.975 -2.118
73 HH TYR 8 HH TYR 8 3.738 -6.252 -0.581
74 H ARG 9 HN ARG 9 11.088 -3.508 1.354
75 HA ARG 9 HA ARG 9 12.540 -1.712 2.907
76 HB2 ARG 9 HB2 ARG 9 13.281 -3.846 0.949
77 HB3 ARG 9 HB1 ARG 9 14.538 -2.777 1.558
78 HG2 ARG 9 HG2 ARG 9 14.504 -4.746 2.902
79 HG3 ARG 9 HG1 ARG 9 13.875 -3.409 3.867
80 HD2 ARG 9 HD2 ARG 9 11.622 -4.152 3.546
81 HD3 ARG 9 HD1 ARG 9 12.137 -5.368 2.378
82 HE ARG 9 HE ARG 9 12.714 -6.748 4.114
83 HH11 ARG 9 HH11 ARG 9 12.237 -3.515 5.341
84 HH12 ARG 9 HH12 ARG 9 12.338 -3.996 7.001
85 HH21 ARG 9 HH21 ARG 9 12.846 -7.381 6.298
86 HH22 ARG 9 HH22 ARG 9 12.684 -6.190 7.545
87 H GLY 10 HN GLY 10 11.782 -1.658 -0.498
88 HA2 GLY 10 HA2 GLY 10 13.109 0.962 -0.675
89 HA3 GLY 10 HA1 GLY 10 13.436 -0.253 -1.902
90 H ILE 11 HN ILE 11 10.268 0.005 -0.493
91 HA ILE 11 HA ILE 11 9.289 1.557 -2.772
92 HB ILE 11 HB ILE 11 7.996 -1.053 -1.991
93 HG12 ILE 11 HG12 ILE 11 10.238 -1.418 -2.999
94 HG13 ILE 11 HG11 ILE 11 8.931 -2.019 -4.012
95 HG21 ILE 11 HG21 ILE 11 7.063 -0.572 -4.419
96 HG22 ILE 11 HG22 ILE 11 7.418 1.093 -3.959
97 HG23 ILE 11 HG23 ILE 11 6.315 0.124 -2.981
98 HD11 ILE 11 HD11 ILE 11 10.971 -0.528 -4.915
99 HD12 ILE 11 HD12 ILE 11 9.795 0.738 -4.556
100 HD13 ILE 11 HD13 ILE 11 9.376 -0.566 -5.666
101 H CYS 12 HN CYS 12 7.175 2.447 -2.463
102 HA CYS 12 HA CYS 12 5.829 2.136 0.056
103 HB2 CYS 12 HB2 CYS 12 7.674 4.398 -0.411
104 HB3 CYS 12 HB1 CYS 12 6.094 4.829 0.236
105 H TYR 13 HN TYR 13 4.224 1.547 -1.541
106 HA TYR 13 HA TYR 13 3.096 3.806 -3.037
107 HB2 TYR 13 HB2 TYR 13 3.200 0.898 -3.458
108 HB3 TYR 13 HB1 TYR 13 1.632 1.620 -3.801
109 HD1 TYR 13 HD2 TYR 13 5.153 2.754 -4.356
110 HD2 TYR 13 HD1 TYR 13 1.358 1.891 -6.073
111 HE1 TYR 13 HE2 TYR 13 5.984 3.498 -6.548
112 HE2 TYR 13 HE1 TYR 13 2.177 2.631 -8.271
113 HH TYR 13 HH TYR 13 4.878 2.762 -9.280
114 H ARG 14 HN ARG 14 0.940 4.401 -2.830
115 HA ARG 14 HA ARG 14 -0.675 3.088 -0.785
116 HB2 ARG 14 HB2 ARG 14 0.479 5.816 -0.579
117 HB3 ARG 14 HB1 ARG 14 -1.195 5.626 -0.076
118 HG2 ARG 14 HG2 ARG 14 -0.649 4.468 1.773
119 HG3 ARG 14 HG1 ARG 14 0.673 3.613 0.976
120 HD2 ARG 14 HD2 ARG 14 2.204 5.226 1.478
121 HD3 ARG 14 HD1 ARG 14 1.008 6.522 1.449
122 HE ARG 14 HE ARG 14 0.307 5.098 3.634
123 HH11 ARG 14 HH11 ARG 14 3.334 6.463 2.561
124 HH12 ARG 14 HH12 ARG 14 3.930 6.722 4.166
125 HH21 ARG 14 HH21 ARG 14 1.088 5.437 5.746
126 HH22 ARG 14 HH22 ARG 14 2.655 6.138 5.974
127 H ARG 15 HN ARG 15 -2.207 2.477 -2.250
128 HA ARG 15 HA ARG 15 -3.704 4.662 -3.531
129 HB2 ARG 15 HB2 ARG 15 -4.183 3.054 -5.412
130 HB3 ARG 15 HB1 ARG 15 -2.523 3.626 -5.320
131 HG2 ARG 15 HG2 ARG 15 -2.082 1.466 -3.989
132 HG3 ARG 15 HG1 ARG 15 -3.622 0.925 -4.659
133 HD2 ARG 15 HD2 ARG 15 -2.787 0.702 -6.744
134 HD3 ARG 15 HD1 ARG 15 -1.741 2.113 -6.588
135 HE ARG 15 HE ARG 15 -0.562 0.299 -4.971
136 HH11 ARG 15 HH11 ARG 15 -1.632 0.183 -8.290
137 HH12 ARG 15 HH12 ARG 15 -0.422 -0.957 -8.771
138 HH21 ARG 15 HH21 ARG 15 1.031 -1.201 -5.601
139 HH22 ARG 15 HH22 ARG 15 1.090 -1.743 -7.246
140 H CYS 16 HN CYS 16 -5.658 4.761 -2.660
141 HA CYS 16 HA CYS 16 -6.827 2.399 -1.424
142 HB2 CYS 16 HB2 CYS 16 -6.892 5.158 -0.863
143 HB3 CYS 16 HB1 CYS 16 -8.532 4.725 -1.333
144 H ARG 17 HN ARG 17 -9.140 1.919 -1.789
145 HA ARG 17 HA ARG 17 -9.668 1.767 -4.620
146 HB2 ARG 17 HB2 ARG 17 -10.099 -0.158 -3.157
147 HB3 ARG 17 HB1 ARG 17 -11.287 0.781 -2.263
148 HG2 ARG 17 HG2 ARG 17 -12.554 1.020 -4.428
149 HG3 ARG 17 HG1 ARG 17 -11.452 -0.181 -5.104
150 HD2 ARG 17 HD2 ARG 17 -12.703 -0.881 -2.526
151 HD3 ARG 17 HD1 ARG 17 -13.794 -0.787 -3.908
152 HE ARG 17 HE ARG 17 -11.748 -2.299 -4.832
153 HH11 ARG 17 HH11 ARG 17 -13.783 -2.495 -2.003
154 HH12 ARG 17 HH12 ARG 17 -13.693 -4.222 -1.905
155 HH21 ARG 17 HH21 ARG 17 -11.629 -4.570 -4.704
156 HH22 ARG 17 HH22 ARG 17 -12.470 -5.400 -3.438
157 HN1 NH2 18 HN1 NH2 18 -11.457 2.620 -5.695
158 HN2 NH2 18 HN2 NH2 18 -12.377 3.941 -5.066
Start of MODEL 5
1 H1 LYS 1 HT1 LYS 1 -13.238 -3.742 1.455
2 H2 LYS 1 HT2 LYS 1 -12.076 -3.957 0.211
3 H3 LYS 1 HT3 LYS 1 -13.745 -4.177 -0.123
4 HA LYS 1 HA LYS 1 -12.752 -2.071 -0.909
5 HB2 LYS 1 HB2 LYS 1 -14.728 -0.761 -0.009
6 HB3 LYS 1 HB1 LYS 1 -15.114 -2.288 -0.791
7 HG2 LYS 1 HG2 LYS 1 -15.647 -3.325 1.215
8 HG3 LYS 1 HG1 LYS 1 -14.758 -2.141 2.175
9 HD2 LYS 1 HD2 LYS 1 -16.589 -0.548 0.972
10 HD3 LYS 1 HD1 LYS 1 -17.505 -2.050 1.118
11 HE2 LYS 1 HE2 LYS 1 -17.971 -0.950 3.110
12 HE3 LYS 1 HE1 LYS 1 -16.675 -2.059 3.557
13 HZ1 LYS 1 HZ1 LYS 1 -15.109 -0.177 3.210
14 HZ2 LYS 1 HZ2 LYS 1 -16.188 0.051 4.492
15 HZ3 LYS 1 HZ3 LYS 1 -16.442 0.849 3.023
16 H TRP 2 HN TRP 2 -10.674 -1.749 0.148
17 HA TRP 2 HA TRP 2 -10.765 0.474 1.966
18 HB2 TRP 2 HB2 TRP 2 -9.400 -0.553 3.729
19 HB3 TRP 2 HB1 TRP 2 -10.943 -1.382 3.559
20 HD1 TRP 2 HD1 TRP 2 -8.983 -2.604 0.775
21 HE1 TRP 2 HE1 TRP 2 -7.836 -4.842 1.325
22 HE3 TRP 2 HE3 TRP 2 -9.540 -2.575 5.858
23 HZ2 TRP 2 HZ2 TRP 2 -7.247 -6.389 3.611
24 HZ3 TRP 2 HZ3 TRP 2 -8.657 -4.471 7.152
25 HH2 TRP 2 HH2 TRP 2 -7.534 -6.339 6.050
26 H CYS 3 HN CYS 3 -8.324 0.918 2.690
27 HA CYS 3 HA CYS 3 -6.746 0.752 0.213
28 HB2 CYS 3 HB2 CYS 3 -6.373 2.727 2.468
29 HB3 CYS 3 HB1 CYS 3 -5.673 2.796 0.855
30 H PHE 4 HN PHE 4 -4.683 -0.013 0.230
31 HA PHE 4 HA PHE 4 -3.734 -1.143 2.779
32 HB2 PHE 4 HB2 PHE 4 -2.405 -2.703 1.255
33 HB3 PHE 4 HB1 PHE 4 -4.147 -2.949 1.311
34 HD1 PHE 4 HD1 PHE 4 -5.560 -2.157 -0.570
35 HD2 PHE 4 HD2 PHE 4 -1.309 -2.102 -0.749
36 HE1 PHE 4 HE1 PHE 4 -5.671 -1.945 -3.019
37 HE2 PHE 4 HE2 PHE 4 -1.411 -1.887 -3.199
38 HZ PHE 4 HZ PHE 4 -3.594 -1.808 -4.336
39 H ARG 5 HN ARG 5 -1.487 -1.072 3.236
40 HA ARG 5 HA ARG 5 -0.014 0.981 1.717
41 HB2 ARG 5 HB2 ARG 5 -0.733 1.838 3.902
42 HB3 ARG 5 HB1 ARG 5 0.055 0.484 4.700
43 HG2 ARG 5 HG2 ARG 5 2.213 1.262 4.064
44 HG3 ARG 5 HG1 ARG 5 1.519 2.490 3.002
45 HD2 ARG 5 HD2 ARG 5 2.312 3.447 5.117
46 HD3 ARG 5 HD1 ARG 5 0.573 3.646 4.913
47 HE ARG 5 HE ARG 5 0.799 1.348 6.344
48 HH11 ARG 5 HH11 ARG 5 2.007 4.593 6.772
49 HH12 ARG 5 HH12 ARG 5 2.001 4.502 8.502
50 HH21 ARG 5 HH21 ARG 5 0.789 1.225 8.618
51 HH22 ARG 5 HH22 ARG 5 1.309 2.589 9.549
52 H VAL 6 HN VAL 6 2.062 0.549 1.170
53 HA VAL 6 HA VAL 6 3.402 -1.772 2.335
54 HB VAL 6 HB VAL 6 3.166 -1.447 -0.657
55 HG11 VAL 6 HG11 VAL 6 4.027 -3.936 0.744
56 HG12 VAL 6 HG12 VAL 6 5.176 -2.612 0.544
57 HG13 VAL 6 HG13 VAL 6 4.432 -3.355 -0.872
58 HG21 VAL 6 HG21 VAL 6 1.741 -3.491 -0.541
59 HG22 VAL 6 HG22 VAL 6 0.995 -2.051 0.155
60 HG23 VAL 6 HG23 VAL 6 1.680 -3.288 1.210
61 H CYS 7 HN CYS 7 5.443 -1.286 2.791
62 HA CYS 7 HA CYS 7 6.901 0.588 1.082
63 HB2 CYS 7 HB2 CYS 7 6.103 1.050 3.879
64 HB3 CYS 7 HB1 CYS 7 7.807 1.344 3.548
65 H TYR 8 HN TYR 8 8.342 -0.879 0.332
66 HA TYR 8 HA TYR 8 9.675 -2.688 2.182
67 HB2 TYR 8 HB2 TYR 8 9.090 -2.683 -0.637
68 HB3 TYR 8 HB1 TYR 8 10.816 -2.924 -0.390
69 HD1 TYR 8 HD1 TYR 8 7.469 -4.311 0.203
70 HD2 TYR 8 HD2 TYR 8 11.654 -4.932 0.659
71 HE1 TYR 8 HE1 TYR 8 7.055 -6.677 0.728
72 HE2 TYR 8 HE2 TYR 8 11.251 -7.300 1.184
73 HH TYR 8 HH TYR 8 8.425 -8.869 0.557
74 H ARG 9 HN ARG 9 12.166 -2.963 1.185
75 HA ARG 9 HA ARG 9 13.610 -0.911 2.392
76 HB2 ARG 9 HB2 ARG 9 14.512 -3.163 1.997
77 HB3 ARG 9 HB1 ARG 9 14.543 -2.850 0.268
78 HG2 ARG 9 HG2 ARG 9 16.657 -2.232 0.590
79 HG3 ARG 9 HG1 ARG 9 15.984 -0.747 1.265
80 HD2 ARG 9 HD2 ARG 9 17.674 -1.791 2.732
81 HD3 ARG 9 HD1 ARG 9 16.089 -1.661 3.494
82 HE ARG 9 HE ARG 9 16.041 -3.934 3.653
83 HH11 ARG 9 HH11 ARG 9 18.369 -3.056 1.205
84 HH12 ARG 9 HH12 ARG 9 18.917 -4.681 0.966
85 HH21 ARG 9 HH21 ARG 9 16.761 -6.072 3.339
86 HH22 ARG 9 HH22 ARG 9 18.004 -6.393 2.176
87 H GLY 10 HN GLY 10 12.834 -1.431 -1.026
88 HA2 GLY 10 HA2 GLY 10 13.704 1.347 -1.532
89 HA3 GLY 10 HA1 GLY 10 14.020 0.049 -2.674
90 H ILE 11 HN ILE 11 11.021 0.240 -0.905
91 HA ILE 11 HA ILE 11 9.647 1.391 -3.217
92 HB ILE 11 HB ILE 11 8.693 -1.178 -1.957
93 HG12 ILE 11 HG12 ILE 11 10.035 -0.835 -4.646
94 HG13 ILE 11 HG11 ILE 11 10.845 -1.458 -3.211
95 HG21 ILE 11 HG21 ILE 11 7.167 -1.246 -3.857
96 HG22 ILE 11 HG22 ILE 11 7.834 0.272 -4.458
97 HG23 ILE 11 HG23 ILE 11 6.955 0.238 -2.929
98 HD11 ILE 11 HD11 ILE 11 8.344 -2.816 -3.935
99 HD12 ILE 11 HD12 ILE 11 9.887 -3.476 -3.393
100 HD13 ILE 11 HD13 ILE 11 9.676 -2.998 -5.077
101 H CYS 12 HN CYS 12 7.840 2.549 -2.713
102 HA CYS 12 HA CYS 12 6.517 2.288 -0.176
103 HB2 CYS 12 HB2 CYS 12 8.580 4.348 -0.594
104 HB3 CYS 12 HB1 CYS 12 7.051 4.961 0.027
105 H TYR 13 HN TYR 13 4.490 2.316 -0.902
106 HA TYR 13 HA TYR 13 3.455 4.687 -2.159
107 HB2 TYR 13 HB2 TYR 13 2.510 3.519 -4.123
108 HB3 TYR 13 HB1 TYR 13 4.271 3.524 -4.137
109 HD1 TYR 13 HD2 TYR 13 1.391 1.389 -3.098
110 HD2 TYR 13 HD1 TYR 13 5.402 1.534 -4.510
111 HE1 TYR 13 HE2 TYR 13 1.389 -1.058 -3.341
112 HE2 TYR 13 HE1 TYR 13 5.410 -0.913 -4.758
113 HH TYR 13 HH TYR 13 4.237 -2.855 -3.890
114 H ARG 14 HN ARG 14 1.083 4.593 -2.406
115 HA ARG 14 HA ARG 14 -0.174 2.548 -0.710
116 HB2 ARG 14 HB2 ARG 14 0.288 5.002 0.272
117 HB3 ARG 14 HB1 ARG 14 -1.240 5.315 -0.540
118 HG2 ARG 14 HG2 ARG 14 -2.431 4.076 0.924
119 HG3 ARG 14 HG1 ARG 14 -1.131 2.906 1.161
120 HD2 ARG 14 HD2 ARG 14 -0.180 4.099 2.845
121 HD3 ARG 14 HD1 ARG 14 -0.668 5.651 2.167
122 HE ARG 14 HE ARG 14 -2.125 4.044 4.053
123 HH11 ARG 14 HH11 ARG 14 -2.384 6.505 1.591
124 HH12 ARG 14 HH12 ARG 14 -3.867 7.147 2.211
125 HH21 ARG 14 HH21 ARG 14 -4.077 4.887 4.870
126 HH22 ARG 14 HH22 ARG 14 -4.828 6.229 4.074
127 H ARG 15 HN ARG 15 -2.268 1.979 -1.254
128 HA ARG 15 HA ARG 15 -3.451 3.294 -3.598
129 HB2 ARG 15 HB2 ARG 15 -2.656 0.436 -3.309
130 HB3 ARG 15 HB1 ARG 15 -4.149 0.789 -4.168
131 HG2 ARG 15 HG2 ARG 15 -1.826 2.398 -4.977
132 HG3 ARG 15 HG1 ARG 15 -1.719 0.671 -5.327
133 HD2 ARG 15 HD2 ARG 15 -4.194 2.202 -6.018
134 HD3 ARG 15 HD1 ARG 15 -2.783 2.276 -7.073
135 HE ARG 15 HE ARG 15 -3.281 -0.406 -6.571
136 HH11 ARG 15 HH11 ARG 15 -4.903 2.279 -8.100
137 HH12 ARG 15 HH12 ARG 15 -5.767 1.280 -9.220
138 HH21 ARG 15 HH21 ARG 15 -4.418 -1.721 -8.043
139 HH22 ARG 15 HH22 ARG 15 -5.492 -0.990 -9.188
140 H CYS 16 HN CYS 16 -5.752 2.728 -3.905
141 HA CYS 16 HA CYS 16 -7.074 1.906 -1.411
142 HB2 CYS 16 HB2 CYS 16 -7.506 4.415 -2.998
143 HB3 CYS 16 HB1 CYS 16 -8.834 3.713 -2.082
144 H ARG 17 HN ARG 17 -9.573 1.737 -1.913
145 HA ARG 17 HA ARG 17 -10.058 0.661 -4.581
146 HB2 ARG 17 HB2 ARG 17 -9.229 -1.186 -3.024
147 HB3 ARG 17 HB1 ARG 17 -10.740 -0.982 -2.149
148 HG2 ARG 17 HG2 ARG 17 -11.706 -1.263 -4.630
149 HG3 ARG 17 HG1 ARG 17 -10.221 -2.204 -4.781
150 HD2 ARG 17 HD2 ARG 17 -12.493 -2.611 -2.850
151 HD3 ARG 17 HD1 ARG 17 -11.922 -3.712 -4.103
152 HE ARG 17 HE ARG 17 -10.843 -3.383 -1.460
153 HH11 ARG 17 HH11 ARG 17 -10.153 -4.413 -4.722
154 HH12 ARG 17 HH12 ARG 17 -8.854 -5.456 -4.251
155 HH21 ARG 17 HH21 ARG 17 -9.135 -4.755 -0.838
156 HH22 ARG 17 HH22 ARG 17 -8.276 -5.651 -2.046
157 HN1 NH2 18 HN1 NH2 18 -11.578 0.848 -1.361
158 HN2 NH2 18 HN2 NH2 18 -13.063 1.534 -1.916
Start of MODEL 6
1 H1 LYS 1 HT1 LYS 1 -13.833 2.691 4.551
2 H2 LYS 1 HT2 LYS 1 -12.142 2.983 4.567
3 H3 LYS 1 HT3 LYS 1 -12.877 2.124 5.857
4 HA LYS 1 HA LYS 1 -13.267 0.277 4.584
5 HB2 LYS 1 HB2 LYS 1 -13.038 0.270 2.157
6 HB3 LYS 1 HB1 LYS 1 -14.161 1.528 2.655
7 HG2 LYS 1 HG2 LYS 1 -11.907 2.965 2.586
8 HG3 LYS 1 HG1 LYS 1 -11.513 1.745 1.375
9 HD2 LYS 1 HD2 LYS 1 -14.158 3.140 1.294
10 HD3 LYS 1 HD1 LYS 1 -12.718 3.937 0.654
11 HE2 LYS 1 HE2 LYS 1 -12.520 2.487 -1.090
12 HE3 LYS 1 HE1 LYS 1 -13.214 1.139 -0.189
13 HZ1 LYS 1 HZ1 LYS 1 -15.322 1.732 -0.741
14 HZ2 LYS 1 HZ2 LYS 1 -14.527 2.333 -2.108
15 HZ3 LYS 1 HZ3 LYS 1 -14.968 3.383 -0.857
16 H TRP 2 HN TRP 2 -11.594 -1.011 3.110
17 HA TRP 2 HA TRP 2 -8.959 -0.468 4.285
18 HB2 TRP 2 HB2 TRP 2 -10.433 -2.932 3.545
19 HB3 TRP 2 HB1 TRP 2 -8.692 -2.956 3.288
20 HD1 TRP 2 HD1 TRP 2 -7.193 -2.307 5.581
21 HE1 TRP 2 HE1 TRP 2 -7.641 -3.016 8.014
22 HE3 TRP 2 HE3 TRP 2 -12.145 -3.513 5.178
23 HZ2 TRP 2 HZ2 TRP 2 -9.807 -3.960 9.560
24 HZ3 TRP 2 HZ3 TRP 2 -13.331 -4.312 7.180
25 HH2 TRP 2 HH2 TRP 2 -12.185 -4.530 9.325
26 H CYS 3 HN CYS 3 -7.079 -0.530 3.030
27 HA CYS 3 HA CYS 3 -7.473 -0.489 0.116
28 HB2 CYS 3 HB2 CYS 3 -5.950 1.499 1.800
29 HB3 CYS 3 HB1 CYS 3 -5.710 1.342 0.063
30 H PHE 4 HN PHE 4 -5.294 -0.607 -1.044
31 HA PHE 4 HA PHE 4 -3.753 -2.755 0.209
32 HB2 PHE 4 HB2 PHE 4 -4.789 -2.727 -2.231
33 HB3 PHE 4 HB1 PHE 4 -3.289 -1.887 -2.611
34 HD1 PHE 4 HD2 PHE 4 -4.606 -4.984 -1.042
35 HD2 PHE 4 HD1 PHE 4 -1.338 -3.085 -2.997
36 HE1 PHE 4 HE2 PHE 4 -3.439 -7.145 -1.182
37 HE2 PHE 4 HE1 PHE 4 -0.166 -5.244 -3.143
38 HZ PHE 4 HZ PHE 4 -1.216 -7.277 -2.233
39 H ARG 5 HN ARG 5 -2.063 -2.094 1.361
40 HA ARG 5 HA ARG 5 -0.444 0.140 0.326
41 HB2 ARG 5 HB2 ARG 5 -1.500 0.544 2.530
42 HB3 ARG 5 HB1 ARG 5 -0.658 -0.859 3.172
43 HG2 ARG 5 HG2 ARG 5 1.475 0.390 2.355
44 HG3 ARG 5 HG1 ARG 5 0.426 1.807 2.394
45 HD2 ARG 5 HD2 ARG 5 -0.008 1.527 4.713
46 HD3 ARG 5 HD1 ARG 5 0.740 -0.070 4.725
47 HE ARG 5 HE ARG 5 2.616 1.877 3.908
48 HH11 ARG 5 HH11 ARG 5 0.933 0.738 6.744
49 HH12 ARG 5 HH12 ARG 5 2.176 1.244 7.838
50 HH21 ARG 5 HH21 ARG 5 4.253 2.543 5.345
51 HH22 ARG 5 HH22 ARG 5 4.062 2.269 7.044
52 H VAL 6 HN VAL 6 1.722 -0.116 0.038
53 HA VAL 6 HA VAL 6 2.936 -2.667 0.837
54 HB VAL 6 HB VAL 6 3.324 -1.462 -1.904
55 HG11 VAL 6 HG11 VAL 6 4.996 -3.094 -0.564
56 HG12 VAL 6 HG12 VAL 6 4.821 -3.100 -2.318
57 HG13 VAL 6 HG13 VAL 6 3.955 -4.286 -1.342
58 HG21 VAL 6 HG21 VAL 6 1.101 -2.227 -1.931
59 HG22 VAL 6 HG22 VAL 6 1.490 -3.651 -0.966
60 HG23 VAL 6 HG23 VAL 6 2.043 -3.540 -2.637
61 H CYS 7 HN CYS 7 4.942 -2.478 1.641
62 HA CYS 7 HA CYS 7 6.432 0.002 1.134
63 HB2 CYS 7 HB2 CYS 7 5.368 -0.951 3.676
64 HB3 CYS 7 HB1 CYS 7 7.105 -0.676 3.741
65 H TYR 8 HN TYR 8 8.645 -0.195 1.029
66 HA TYR 8 HA TYR 8 9.844 -2.803 1.579
67 HB2 TYR 8 HB2 TYR 8 9.074 -2.287 -0.956
68 HB3 TYR 8 HB1 TYR 8 10.677 -1.562 -0.980
69 HD1 TYR 8 HD2 TYR 8 9.218 -4.677 0.499
70 HD2 TYR 8 HD1 TYR 8 12.242 -2.945 -1.943
71 HE1 TYR 8 HE2 TYR 8 10.212 -6.901 0.163
72 HE2 TYR 8 HE1 TYR 8 13.243 -5.164 -2.287
73 HH TYR 8 HH TYR 8 12.338 -7.896 -0.444
74 H ARG 9 HN ARG 9 12.340 -2.561 0.915
75 HA ARG 9 HA ARG 9 13.508 -0.869 2.759
76 HB2 ARG 9 HB2 ARG 9 14.491 -2.389 0.403
77 HB3 ARG 9 HB1 ARG 9 15.557 -1.152 1.056
78 HG2 ARG 9 HG2 ARG 9 14.857 -2.418 3.326
79 HG3 ARG 9 HG1 ARG 9 14.762 -3.753 2.175
80 HD2 ARG 9 HD2 ARG 9 17.082 -2.833 1.385
81 HD3 ARG 9 HD1 ARG 9 17.114 -2.107 2.992
82 HE ARG 9 HE ARG 9 16.440 -4.822 3.229
83 HH11 ARG 9 HH11 ARG 9 19.162 -2.805 2.391
84 HH12 ARG 9 HH12 ARG 9 20.341 -3.959 2.917
85 HH21 ARG 9 HH21 ARG 9 17.988 -6.341 3.923
86 HH22 ARG 9 HH22 ARG 9 19.674 -5.968 3.787
87 H GLY 10 HN GLY 10 12.528 -0.204 -0.518
88 HA2 GLY 10 HA2 GLY 10 13.107 2.624 -0.076
89 HA3 GLY 10 HA1 GLY 10 13.886 1.865 -1.456
90 H ILE 11 HN ILE 11 10.718 0.840 -0.468
91 HA ILE 11 HA ILE 11 9.438 2.509 -2.498
92 HB ILE 11 HB ILE 11 9.064 -0.484 -2.473
93 HG12 ILE 11 HG12 ILE 11 11.343 0.165 -3.234
94 HG13 ILE 11 HG11 ILE 11 10.377 -0.572 -4.508
95 HG21 ILE 11 HG21 ILE 11 7.128 0.317 -3.384
96 HG22 ILE 11 HG22 ILE 11 8.132 0.232 -4.832
97 HG23 ILE 11 HG23 ILE 11 7.895 1.775 -4.012
98 HD11 ILE 11 HD11 ILE 11 11.810 1.660 -4.837
99 HD12 ILE 11 HD12 ILE 11 10.273 2.367 -4.338
100 HD13 ILE 11 HD13 ILE 11 10.341 1.307 -5.746
101 H CYS 12 HN CYS 12 8.172 3.556 -1.024
102 HA CYS 12 HA CYS 12 6.220 1.891 0.421
103 HB2 CYS 12 HB2 CYS 12 7.916 4.130 1.415
104 HB3 CYS 12 HB1 CYS 12 6.271 4.014 2.032
105 H TYR 13 HN TYR 13 4.412 2.153 -0.743
106 HA TYR 13 HA TYR 13 3.429 4.892 -1.110
107 HB2 TYR 13 HB2 TYR 13 2.638 4.382 -3.362
108 HB3 TYR 13 HB1 TYR 13 4.381 4.157 -3.263
109 HD1 TYR 13 HD1 TYR 13 5.085 1.655 -2.610
110 HD2 TYR 13 HD2 TYR 13 1.425 2.768 -4.469
111 HE1 TYR 13 HE1 TYR 13 4.844 -0.630 -3.488
112 HE2 TYR 13 HE2 TYR 13 1.171 0.486 -5.350
113 HH TYR 13 HH TYR 13 1.933 -1.754 -4.909
114 H ARG 14 HN ARG 14 1.024 4.645 -2.037
115 HA ARG 14 HA ARG 14 -0.351 2.444 -0.689
116 HB2 ARG 14 HB2 ARG 14 -0.104 4.749 0.660
117 HB3 ARG 14 HB1 ARG 14 -1.528 5.143 -0.295
118 HG2 ARG 14 HG2 ARG 14 -1.846 2.533 0.818
119 HG3 ARG 14 HG1 ARG 14 -1.384 3.660 2.094
120 HD2 ARG 14 HD2 ARG 14 -3.435 4.617 0.204
121 HD3 ARG 14 HD1 ARG 14 -3.921 3.291 1.259
122 HE ARG 14 HE ARG 14 -2.741 5.109 2.924
123 HH11 ARG 14 HH11 ARG 14 -5.386 5.197 0.650
124 HH12 ARG 14 HH12 ARG 14 -6.253 6.420 1.515
125 HH21 ARG 14 HH21 ARG 14 -3.880 6.718 4.064
126 HH22 ARG 14 HH22 ARG 14 -5.399 7.285 3.453
127 H ARG 15 HN ARG 15 -2.139 1.755 -1.738
128 HA ARG 15 HA ARG 15 -3.338 3.456 -3.791
129 HB2 ARG 15 HB2 ARG 15 -1.488 1.674 -4.580
130 HB3 ARG 15 HB1 ARG 15 -2.898 0.623 -4.562
131 HG2 ARG 15 HG2 ARG 15 -3.908 2.727 -5.896
132 HG3 ARG 15 HG1 ARG 15 -2.211 2.845 -6.367
133 HD2 ARG 15 HD2 ARG 15 -4.046 0.479 -6.707
134 HD3 ARG 15 HD1 ARG 15 -3.356 1.488 -7.978
135 HE ARG 15 HE ARG 15 -1.367 0.226 -6.348
136 HH11 ARG 15 HH11 ARG 15 -3.493 -0.221 -9.079
137 HH12 ARG 15 HH12 ARG 15 -2.511 -1.449 -9.801
138 HH21 ARG 15 HH21 ARG 15 -0.073 -1.389 -7.297
139 HH22 ARG 15 HH22 ARG 15 -0.569 -2.113 -8.791
140 H CYS 16 HN CYS 16 -5.499 3.272 -3.898
141 HA CYS 16 HA CYS 16 -6.751 1.167 -2.268
142 HB2 CYS 16 HB2 CYS 16 -7.749 3.912 -3.048
143 HB3 CYS 16 HB1 CYS 16 -8.724 2.714 -2.203
144 H ARG 17 HN ARG 17 -9.102 0.723 -3.043
145 HA ARG 17 HA ARG 17 -9.535 0.858 -5.881
146 HB2 ARG 17 HB2 ARG 17 -7.946 -1.208 -5.132
147 HB3 ARG 17 HB1 ARG 17 -9.529 -1.952 -4.970
148 HG2 ARG 17 HG2 ARG 17 -9.999 -1.167 -7.324
149 HG3 ARG 17 HG1 ARG 17 -8.285 -0.764 -7.432
150 HD2 ARG 17 HD2 ARG 17 -8.029 -2.872 -8.145
151 HD3 ARG 17 HD1 ARG 17 -8.210 -3.311 -6.446
152 HE ARG 17 HE ARG 17 -10.718 -3.109 -7.808
153 HH11 ARG 17 HH11 ARG 17 -7.994 -5.205 -7.204
154 HH12 ARG 17 HH12 ARG 17 -8.891 -6.659 -7.480
155 HH21 ARG 17 HH21 ARG 17 -11.900 -5.022 -8.170
156 HH22 ARG 17 HH22 ARG 17 -11.109 -6.555 -8.028
157 HN1 NH2 18 HN1 NH2 18 -11.595 -0.195 -6.497
158 HN2 NH2 18 HN2 NH2 18 -12.850 -0.298 -5.315
Start of MODEL 7
1 H1 LYS 1 HT1 LYS 1 -11.330 -5.386 0.315
2 H2 LYS 1 HT2 LYS 1 -12.050 -5.329 -1.242
3 H3 LYS 1 HT3 LYS 1 -12.750 -4.459 0.062
4 HA LYS 1 HA LYS 1 -10.034 -3.962 -0.934
5 HB2 LYS 1 HB2 LYS 1 -11.128 -2.007 -2.102
6 HB3 LYS 1 HB1 LYS 1 -11.471 -3.585 -2.799
7 HG2 LYS 1 HG2 LYS 1 -13.364 -2.490 -0.788
8 HG3 LYS 1 HG1 LYS 1 -13.368 -1.807 -2.416
9 HD2 LYS 1 HD2 LYS 1 -13.363 -4.412 -3.037
10 HD3 LYS 1 HD1 LYS 1 -14.181 -4.494 -1.476
11 HE2 LYS 1 HE2 LYS 1 -15.485 -2.416 -2.604
12 HE3 LYS 1 HE1 LYS 1 -15.089 -3.359 -4.041
13 HZ1 LYS 1 HZ1 LYS 1 -16.812 -4.069 -1.772
14 HZ2 LYS 1 HZ2 LYS 1 -16.020 -5.305 -2.612
15 HZ3 LYS 1 HZ3 LYS 1 -17.080 -4.272 -3.430
16 H TRP 2 HN TRP 2 -8.986 -2.496 0.269
17 HA TRP 2 HA TRP 2 -10.427 -0.582 1.895
18 HB2 TRP 2 HB2 TRP 2 -9.999 -2.911 3.131
19 HB3 TRP 2 HB1 TRP 2 -8.423 -2.178 3.412
20 HD1 TRP 2 HD1 TRP 2 -12.155 -1.228 3.938
21 HE1 TRP 2 HE1 TRP 2 -12.320 0.131 6.118
22 HE3 TRP 2 HE3 TRP 2 -7.191 -1.027 5.150
23 HZ2 TRP 2 HZ2 TRP 2 -10.577 1.154 8.089
24 HZ3 TRP 2 HZ3 TRP 2 -6.524 0.162 7.198
25 HH2 TRP 2 HH2 TRP 2 -8.184 1.229 8.637
26 H CYS 3 HN CYS 3 -9.018 1.035 2.846
27 HA CYS 3 HA CYS 3 -6.734 1.555 1.139
28 HB2 CYS 3 HB2 CYS 3 -7.711 3.300 3.393
29 HB3 CYS 3 HB1 CYS 3 -6.787 3.776 1.974
30 H PHE 4 HN PHE 4 -4.653 1.349 1.692
31 HA PHE 4 HA PHE 4 -3.801 1.371 4.445
32 HB2 PHE 4 HB2 PHE 4 -4.615 -1.052 3.643
33 HB3 PHE 4 HB1 PHE 4 -2.968 -1.103 3.021
34 HD1 PHE 4 HD1 PHE 4 -4.688 -0.002 6.150
35 HD2 PHE 4 HD2 PHE 4 -1.434 -2.102 4.387
36 HE1 PHE 4 HE1 PHE 4 -3.866 -0.600 8.390
37 HE2 PHE 4 HE2 PHE 4 -0.606 -2.704 6.624
38 HZ PHE 4 HZ PHE 4 -1.822 -1.953 8.630
39 H ARG 5 HN ARG 5 -1.351 0.816 4.524
40 HA ARG 5 HA ARG 5 -0.086 2.090 2.189
41 HB2 ARG 5 HB2 ARG 5 0.038 3.446 4.227
42 HB3 ARG 5 HB1 ARG 5 0.794 2.108 5.083
43 HG2 ARG 5 HG2 ARG 5 2.600 3.427 4.547
44 HG3 ARG 5 HG1 ARG 5 2.591 2.262 3.221
45 HD2 ARG 5 HD2 ARG 5 2.840 4.244 2.079
46 HD3 ARG 5 HD1 ARG 5 1.088 4.042 2.046
47 HE ARG 5 HE ARG 5 1.501 5.511 4.280
48 HH11 ARG 5 HH11 ARG 5 2.514 5.879 0.960
49 HH12 ARG 5 HH12 ARG 5 2.545 7.608 1.031
50 HH21 ARG 5 HH21 ARG 5 1.541 7.786 4.374
51 HH22 ARG 5 HH22 ARG 5 1.993 8.692 2.969
52 H VAL 6 HN VAL 6 1.132 0.789 1.004
53 HA VAL 6 HA VAL 6 2.331 -1.578 2.283
54 HB VAL 6 HB VAL 6 0.725 -2.112 0.502
55 HG11 VAL 6 HG11 VAL 6 1.072 -0.037 -0.814
56 HG12 VAL 6 HG12 VAL 6 1.110 -1.504 -1.792
57 HG13 VAL 6 HG13 VAL 6 2.615 -0.689 -1.367
58 HG21 VAL 6 HG21 VAL 6 2.008 -3.761 -0.524
59 HG22 VAL 6 HG22 VAL 6 2.905 -3.414 0.955
60 HG23 VAL 6 HG23 VAL 6 3.447 -2.742 -0.583
61 H CYS 7 HN CYS 7 4.488 -1.889 2.203
62 HA CYS 7 HA CYS 7 6.083 0.065 0.676
63 HB2 CYS 7 HB2 CYS 7 6.413 -0.996 3.460
64 HB3 CYS 7 HB1 CYS 7 7.830 -0.483 2.551
65 H TYR 8 HN TYR 8 8.323 -0.710 0.192
66 HA TYR 8 HA TYR 8 8.497 -3.619 -0.125
67 HB2 TYR 8 HB2 TYR 8 8.646 -1.562 -2.314
68 HB3 TYR 8 HB1 TYR 8 9.475 -3.107 -2.470
69 HD1 TYR 8 HD2 TYR 8 7.743 -5.114 -1.553
70 HD2 TYR 8 HD1 TYR 8 6.695 -1.495 -3.528
71 HE1 TYR 8 HE2 TYR 8 5.661 -6.156 -2.342
72 HE2 TYR 8 HE1 TYR 8 4.609 -2.526 -4.322
73 HH TYR 8 HH TYR 8 4.049 -5.711 -4.412
74 H ARG 9 HN ARG 9 10.806 -4.002 -1.303
75 HA ARG 9 HA ARG 9 12.744 -3.533 0.602
76 HB2 ARG 9 HB2 ARG 9 14.376 -4.243 -1.053
77 HB3 ARG 9 HB1 ARG 9 12.925 -5.230 -1.174
78 HG2 ARG 9 HG2 ARG 9 12.859 -2.903 -2.920
79 HG3 ARG 9 HG1 ARG 9 14.213 -3.984 -3.253
80 HD2 ARG 9 HD2 ARG 9 12.769 -5.826 -3.618
81 HD3 ARG 9 HD1 ARG 9 11.384 -4.961 -2.954
82 HE ARG 9 HE ARG 9 12.523 -3.694 -5.265
83 HH11 ARG 9 HH11 ARG 9 10.290 -6.139 -4.165
84 HH12 ARG 9 HH12 ARG 9 9.338 -6.097 -5.611
85 HH21 ARG 9 HH21 ARG 9 11.271 -3.636 -7.167
86 HH22 ARG 9 HH22 ARG 9 9.894 -4.677 -7.315
87 H GLY 10 HN GLY 10 11.669 -1.439 -1.956
88 HA2 GLY 10 HA2 GLY 10 13.313 0.699 -0.875
89 HA3 GLY 10 HA1 GLY 10 13.662 0.251 -2.538
90 H ILE 11 HN ILE 11 10.464 0.216 -1.072
91 HA ILE 11 HA ILE 11 9.740 2.716 -2.368
92 HB ILE 11 HB ILE 11 8.173 0.225 -3.021
93 HG12 ILE 11 HG12 ILE 11 10.220 1.664 -4.726
94 HG13 ILE 11 HG11 ILE 11 10.409 0.058 -4.029
95 HG21 ILE 11 HG21 ILE 11 7.280 1.746 -4.824
96 HG22 ILE 11 HG22 ILE 11 8.089 3.071 -3.988
97 HG23 ILE 11 HG23 ILE 11 6.819 2.159 -3.173
98 HD11 ILE 11 HD11 ILE 11 8.603 0.938 -6.247
99 HD12 ILE 11 HD12 ILE 11 8.324 -0.564 -5.365
100 HD13 ILE 11 HD13 ILE 11 9.831 -0.327 -6.249
101 H CYS 12 HN CYS 12 7.746 3.584 -1.643
102 HA CYS 12 HA CYS 12 6.190 2.182 0.335
103 HB2 CYS 12 HB2 CYS 12 8.118 4.345 1.095
104 HB3 CYS 12 HB1 CYS 12 6.597 4.198 1.969
105 H TYR 13 HN TYR 13 4.293 2.601 -0.642
106 HA TYR 13 HA TYR 13 3.492 5.414 -0.857
107 HB2 TYR 13 HB2 TYR 13 2.343 4.920 -3.006
108 HB3 TYR 13 HB1 TYR 13 4.094 4.774 -3.115
109 HD1 TYR 13 HD2 TYR 13 1.056 2.688 -2.511
110 HD2 TYR 13 HD1 TYR 13 5.002 2.879 -4.091
111 HE1 TYR 13 HE2 TYR 13 0.803 0.411 -3.402
112 HE2 TYR 13 HE1 TYR 13 4.759 0.602 -4.987
113 HH TYR 13 HH TYR 13 3.019 -0.951 -5.624
114 H ARG 14 HN ARG 14 1.022 5.485 -1.366
115 HA ARG 14 HA ARG 14 -0.319 3.428 0.264
116 HB2 ARG 14 HB2 ARG 14 -0.140 5.538 1.500
117 HB3 ARG 14 HB1 ARG 14 -0.917 6.392 0.173
118 HG2 ARG 14 HG2 ARG 14 -2.903 4.855 0.546
119 HG3 ARG 14 HG1 ARG 14 -2.120 4.389 2.057
120 HD2 ARG 14 HD2 ARG 14 -2.711 6.294 3.066
121 HD3 ARG 14 HD1 ARG 14 -2.220 7.273 1.685
122 HE ARG 14 HE ARG 14 -4.399 7.305 0.973
123 HH11 ARG 14 HH11 ARG 14 -4.035 4.833 3.410
124 HH12 ARG 14 HH12 ARG 14 -5.736 4.533 3.537
125 HH21 ARG 14 HH21 ARG 14 -6.635 6.911 1.138
126 HH22 ARG 14 HH22 ARG 14 -7.212 5.711 2.246
127 H ARG 15 HN ARG 15 -2.001 2.441 -0.657
128 HA ARG 15 HA ARG 15 -3.359 3.746 -2.908
129 HB2 ARG 15 HB2 ARG 15 -1.537 1.852 -3.415
130 HB3 ARG 15 HB1 ARG 15 -2.918 0.812 -3.097
131 HG2 ARG 15 HG2 ARG 15 -3.087 1.097 -5.360
132 HG3 ARG 15 HG1 ARG 15 -4.133 2.394 -4.780
133 HD2 ARG 15 HD2 ARG 15 -1.287 3.090 -5.087
134 HD3 ARG 15 HD1 ARG 15 -2.148 2.734 -6.584
135 HE ARG 15 HE ARG 15 -3.633 4.522 -4.959
136 HH11 ARG 15 HH11 ARG 15 -0.876 4.378 -7.093
137 HH12 ARG 15 HH12 ARG 15 -0.991 6.043 -7.557
138 HH21 ARG 15 HH21 ARG 15 -3.786 6.711 -5.569
139 HH22 ARG 15 HH22 ARG 15 -2.643 7.367 -6.692
140 H CYS 16 HN CYS 16 -5.492 2.912 -3.352
141 HA CYS 16 HA CYS 16 -6.705 1.061 -1.516
142 HB2 CYS 16 HB2 CYS 16 -6.699 3.091 -0.141
143 HB3 CYS 16 HB1 CYS 16 -7.514 3.976 -1.426
144 H ARG 17 HN ARG 17 -7.047 0.087 -3.613
145 HA ARG 17 HA ARG 17 -8.849 1.415 -5.453
146 HB2 ARG 17 HB2 ARG 17 -7.349 -1.180 -5.456
147 HB3 ARG 17 HB1 ARG 17 -8.677 -0.939 -6.584
148 HG2 ARG 17 HG2 ARG 17 -7.321 1.324 -7.025
149 HG3 ARG 17 HG1 ARG 17 -5.990 0.279 -6.524
150 HD2 ARG 17 HD2 ARG 17 -6.159 -1.046 -8.360
151 HD3 ARG 17 HD1 ARG 17 -7.907 -0.852 -8.470
152 HE ARG 17 HE ARG 17 -5.908 0.722 -9.786
153 HH11 ARG 17 HH11 ARG 17 -9.167 0.744 -8.536
154 HH12 ARG 17 HH12 ARG 17 -9.696 2.011 -9.592
155 HH21 ARG 17 HH21 ARG 17 -6.603 2.387 -11.176
156 HH22 ARG 17 HH22 ARG 17 -8.241 2.944 -11.090
157 HN1 NH2 18 HN1 NH2 18 -10.592 -0.270 -6.373
158 HN2 NH2 18 HN2 NH2 18 -11.655 -0.885 -5.158
Start of MODEL 8
1 H1 LYS 1 HT1 LYS 1 -13.988 -2.099 -0.804
2 H2 LYS 1 HT2 LYS 1 -12.741 -0.933 -0.983
3 H3 LYS 1 HT3 LYS 1 -14.320 -0.441 -0.522
4 HA LYS 1 HA LYS 1 -13.147 -0.385 1.415
5 HB2 LYS 1 HB2 LYS 1 -14.514 -3.070 1.153
6 HB3 LYS 1 HB1 LYS 1 -14.062 -2.336 2.685
7 HG2 LYS 1 HG2 LYS 1 -16.214 -1.649 2.603
8 HG3 LYS 1 HG1 LYS 1 -15.487 -0.324 1.690
9 HD2 LYS 1 HD2 LYS 1 -17.056 -0.847 0.159
10 HD3 LYS 1 HD1 LYS 1 -15.921 -2.122 -0.287
11 HE2 LYS 1 HE2 LYS 1 -17.697 -3.468 0.025
12 HE3 LYS 1 HE1 LYS 1 -17.256 -3.330 1.726
13 HZ1 LYS 1 HZ1 LYS 1 -18.803 -1.357 1.781
14 HZ2 LYS 1 HZ2 LYS 1 -19.538 -2.871 1.613
15 HZ3 LYS 1 HZ3 LYS 1 -19.370 -1.860 0.268
16 H TRP 2 HN TRP 2 -10.993 -0.746 -0.026
17 HA TRP 2 HA TRP 2 -9.483 -2.742 1.470
18 HB2 TRP 2 HB2 TRP 2 -8.309 -3.406 -0.700
19 HB3 TRP 2 HB1 TRP 2 -9.933 -4.037 -0.454
20 HD1 TRP 2 HD1 TRP 2 -7.972 -1.578 -2.626
21 HE1 TRP 2 HE1 TRP 2 -9.412 -0.949 -4.664
22 HE3 TRP 2 HE3 TRP 2 -12.356 -3.821 -1.248
23 HZ2 TRP 2 HZ2 TRP 2 -12.056 -1.349 -5.568
24 HZ3 TRP 2 HZ3 TRP 2 -14.292 -3.651 -2.756
25 HH2 TRP 2 HH2 TRP 2 -14.145 -2.440 -4.871
26 H CYS 3 HN CYS 3 -8.577 -0.935 2.526
27 HA CYS 3 HA CYS 3 -6.599 0.507 0.891
28 HB2 CYS 3 HB2 CYS 3 -8.564 1.579 2.870
29 HB3 CYS 3 HB1 CYS 3 -6.989 2.354 2.744
30 H PHE 4 HN PHE 4 -4.623 -0.046 1.500
31 HA PHE 4 HA PHE 4 -3.981 -0.193 4.340
32 HB2 PHE 4 HB2 PHE 4 -2.825 -2.336 4.113
33 HB3 PHE 4 HB1 PHE 4 -4.529 -2.507 3.706
34 HD1 PHE 4 HD2 PHE 4 -5.150 -2.432 1.218
35 HD2 PHE 4 HD1 PHE 4 -1.190 -3.064 2.642
36 HE1 PHE 4 HE2 PHE 4 -4.534 -3.425 -0.947
37 HE2 PHE 4 HE1 PHE 4 -0.567 -4.058 0.479
38 HZ PHE 4 HZ PHE 4 -2.241 -4.241 -1.318
39 H ARG 5 HN ARG 5 -1.758 0.085 4.806
40 HA ARG 5 HA ARG 5 -0.309 1.444 2.656
41 HB2 ARG 5 HB2 ARG 5 -0.773 2.329 5.118
42 HB3 ARG 5 HB1 ARG 5 0.686 1.410 5.466
43 HG2 ARG 5 HG2 ARG 5 2.020 2.779 4.180
44 HG3 ARG 5 HG1 ARG 5 0.669 3.345 3.196
45 HD2 ARG 5 HD2 ARG 5 -0.034 4.855 4.793
46 HD3 ARG 5 HD1 ARG 5 0.728 3.970 6.114
47 HE ARG 5 HE ARG 5 2.677 4.981 4.323
48 HH11 ARG 5 HH11 ARG 5 0.497 5.972 6.861
49 HH12 ARG 5 HH12 ARG 5 1.472 7.320 7.343
50 HH21 ARG 5 HH21 ARG 5 3.960 6.754 4.955
51 HH22 ARG 5 HH22 ARG 5 3.438 7.765 6.261
52 H VAL 6 HN VAL 6 1.750 0.880 2.024
53 HA VAL 6 HA VAL 6 3.209 -1.224 3.332
54 HB VAL 6 HB VAL 6 1.588 -2.559 2.064
55 HG11 VAL 6 HG11 VAL 6 1.584 -0.647 0.212
56 HG12 VAL 6 HG12 VAL 6 1.119 -2.311 -0.144
57 HG13 VAL 6 HG13 VAL 6 2.742 -1.743 -0.540
58 HG21 VAL 6 HG21 VAL 6 4.057 -3.195 2.371
59 HG22 VAL 6 HG22 VAL 6 4.226 -2.816 0.656
60 HG23 VAL 6 HG23 VAL 6 3.116 -4.086 1.174
61 H CYS 7 HN CYS 7 5.179 -0.366 3.299
62 HA CYS 7 HA CYS 7 6.116 0.905 0.812
63 HB2 CYS 7 HB2 CYS 7 6.660 1.523 3.699
64 HB3 CYS 7 HB1 CYS 7 7.816 1.991 2.458
65 H TYR 8 HN TYR 8 7.741 -0.046 -0.222
66 HA TYR 8 HA TYR 8 9.083 -2.306 1.032
67 HB2 TYR 8 HB2 TYR 8 8.684 -1.354 -1.761
68 HB3 TYR 8 HB1 TYR 8 10.120 -2.316 -1.426
69 HD1 TYR 8 HD1 TYR 8 6.534 -2.474 -0.360
70 HD2 TYR 8 HD2 TYR 8 9.862 -4.515 -2.051
71 HE1 TYR 8 HE1 TYR 8 5.189 -4.526 -0.518
72 HE2 TYR 8 HE2 TYR 8 8.526 -6.572 -2.214
73 HH TYR 8 HH TYR 8 5.782 -6.976 -2.380
74 H ARG 9 HN ARG 9 11.377 -2.547 1.019
75 HA ARG 9 HA ARG 9 12.805 -0.387 2.001
76 HB2 ARG 9 HB2 ARG 9 13.859 -2.868 0.632
77 HB3 ARG 9 HB1 ARG 9 14.833 -1.758 1.588
78 HG2 ARG 9 HG2 ARG 9 14.403 -3.162 3.269
79 HG3 ARG 9 HG1 ARG 9 12.837 -2.351 3.332
80 HD2 ARG 9 HD2 ARG 9 11.797 -4.237 2.793
81 HD3 ARG 9 HD1 ARG 9 12.762 -4.386 1.325
82 HE ARG 9 HE ARG 9 14.071 -5.943 2.380
83 HH11 ARG 9 HH11 ARG 9 12.142 -4.279 4.764
84 HH12 ARG 9 HH12 ARG 9 12.585 -5.348 6.052
85 HH21 ARG 9 HH21 ARG 9 14.655 -7.350 4.073
86 HH22 ARG 9 HH22 ARG 9 14.013 -7.091 5.660
87 H GLY 10 HN GLY 10 12.272 -1.376 -1.298
88 HA2 GLY 10 HA2 GLY 10 14.334 0.380 -2.343
89 HA3 GLY 10 HA1 GLY 10 13.233 -0.615 -3.285
90 H ILE 11 HN ILE 11 10.809 0.321 -2.127
91 HA ILE 11 HA ILE 11 10.703 3.183 -2.403
92 HB ILE 11 HB ILE 11 9.011 3.050 -4.299
93 HG12 ILE 11 HG12 ILE 11 9.517 1.089 -5.872
94 HG13 ILE 11 HG11 ILE 11 10.249 0.306 -4.476
95 HG21 ILE 11 HG21 ILE 11 11.760 2.269 -5.196
96 HG22 ILE 11 HG22 ILE 11 11.466 3.806 -4.385
97 HG23 ILE 11 HG23 ILE 11 10.650 3.441 -5.905
98 HD11 ILE 11 HD11 ILE 11 8.270 -0.227 -3.598
99 HD12 ILE 11 HD12 ILE 11 7.644 0.089 -5.216
100 HD13 ILE 11 HD13 ILE 11 7.567 1.345 -3.979
101 H CYS 12 HN CYS 12 8.490 4.019 -2.129
102 HA CYS 12 HA CYS 12 7.033 2.362 -0.240
103 HB2 CYS 12 HB2 CYS 12 7.241 5.239 -0.834
104 HB3 CYS 12 HB1 CYS 12 5.624 4.702 -0.388
105 H TYR 13 HN TYR 13 4.663 2.228 -0.343
106 HA TYR 13 HA TYR 13 3.397 2.624 -2.907
107 HB2 TYR 13 HB2 TYR 13 4.616 0.426 -3.111
108 HB3 TYR 13 HB1 TYR 13 3.587 -0.191 -1.823
109 HD1 TYR 13 HD2 TYR 13 2.996 1.809 -4.932
110 HD2 TYR 13 HD1 TYR 13 1.956 -1.605 -2.617
111 HE1 TYR 13 HE2 TYR 13 1.285 1.212 -6.594
112 HE2 TYR 13 HE1 TYR 13 0.243 -2.213 -4.273
113 HH TYR 13 HH TYR 13 -1.080 -1.204 -6.011
114 H ARG 14 HN ARG 14 1.094 2.185 -2.852
115 HA ARG 14 HA ARG 14 -0.156 1.549 -0.339
116 HB2 ARG 14 HB2 ARG 14 0.576 4.133 -0.520
117 HB3 ARG 14 HB1 ARG 14 -0.984 4.220 -1.324
118 HG2 ARG 14 HG2 ARG 14 -1.672 2.798 0.847
119 HG3 ARG 14 HG1 ARG 14 -0.333 3.738 1.508
120 HD2 ARG 14 HD2 ARG 14 -1.457 5.693 1.362
121 HD3 ARG 14 HD1 ARG 14 -2.269 5.236 -0.135
122 HE ARG 14 HE ARG 14 -4.052 4.566 1.112
123 HH11 ARG 14 HH11 ARG 14 -1.237 4.604 3.173
124 HH12 ARG 14 HH12 ARG 14 -2.128 4.224 4.608
125 HH21 ARG 14 HH21 ARG 14 -5.226 4.067 2.998
126 HH22 ARG 14 HH22 ARG 14 -4.393 3.919 4.510
127 H ARG 15 HN ARG 15 -2.008 0.532 -0.752
128 HA ARG 15 HA ARG 15 -3.227 0.898 -3.405
129 HB2 ARG 15 HB2 ARG 15 -2.335 -1.411 -2.321
130 HB3 ARG 15 HB1 ARG 15 -4.000 -1.436 -1.759
131 HG2 ARG 15 HG2 ARG 15 -3.992 -0.720 -4.512
132 HG3 ARG 15 HG1 ARG 15 -2.985 -2.154 -4.297
133 HD2 ARG 15 HD2 ARG 15 -5.125 -2.765 -2.737
134 HD3 ARG 15 HD1 ARG 15 -5.889 -1.818 -4.013
135 HE ARG 15 HE ARG 15 -4.336 -3.555 -5.384
136 HH11 ARG 15 HH11 ARG 15 -6.727 -3.962 -2.874
137 HH12 ARG 15 HH12 ARG 15 -7.218 -5.530 -3.422
138 HH21 ARG 15 HH21 ARG 15 -4.980 -5.617 -6.106
139 HH22 ARG 15 HH22 ARG 15 -6.226 -6.470 -5.256
140 H CYS 16 HN CYS 16 -5.435 1.197 -3.608
141 HA CYS 16 HA CYS 16 -7.171 1.192 -1.318
142 HB2 CYS 16 HB2 CYS 16 -5.938 3.691 -2.266
143 HB3 CYS 16 HB1 CYS 16 -7.689 3.761 -2.103
144 H ARG 17 HN ARG 17 -9.313 2.512 -2.116
145 HA ARG 17 HA ARG 17 -10.086 1.107 -4.551
146 HB2 ARG 17 HB2 ARG 17 -12.376 1.624 -3.901
147 HB3 ARG 17 HB1 ARG 17 -11.508 0.897 -2.555
148 HG2 ARG 17 HG2 ARG 17 -11.329 2.961 -1.428
149 HG3 ARG 17 HG1 ARG 17 -11.827 3.868 -2.858
150 HD2 ARG 17 HD2 ARG 17 -13.602 1.873 -1.470
151 HD3 ARG 17 HD1 ARG 17 -13.576 3.586 -1.057
152 HE ARG 17 HE ARG 17 -14.863 2.390 -3.293
153 HH11 ARG 17 HH11 ARG 17 -13.194 5.277 -2.265
154 HH12 ARG 17 HH12 ARG 17 -13.993 6.298 -3.414
155 HH21 ARG 17 HH21 ARG 17 -15.914 3.732 -4.805
156 HH22 ARG 17 HH22 ARG 17 -15.537 5.422 -4.855
157 HN1 NH2 18 HN1 NH2 18 -9.701 4.358 -3.322
158 HN2 NH2 18 HN2 NH2 18 -10.036 5.174 -4.808
Start of MODEL 9
1 H1 LYS 1 HT1 LYS 1 -10.874 -5.484 3.454
2 H2 LYS 1 HT2 LYS 1 -11.815 -4.237 2.746
3 H3 LYS 1 HT3 LYS 1 -10.268 -3.882 3.401
4 HA LYS 1 HA LYS 1 -9.166 -4.986 1.737
5 HB2 LYS 1 HB2 LYS 1 -11.146 -6.785 1.885
6 HB3 LYS 1 HB1 LYS 1 -11.652 -5.953 0.421
7 HG2 LYS 1 HG2 LYS 1 -9.120 -6.326 -0.236
8 HG3 LYS 1 HG1 LYS 1 -9.274 -7.655 0.915
9 HD2 LYS 1 HD2 LYS 1 -9.832 -8.605 -1.152
10 HD3 LYS 1 HD1 LYS 1 -11.388 -8.288 -0.381
11 HE2 LYS 1 HE2 LYS 1 -11.813 -7.419 -2.444
12 HE3 LYS 1 HE1 LYS 1 -11.145 -5.988 -1.662
13 HZ1 LYS 1 HZ1 LYS 1 -8.929 -7.096 -2.608
14 HZ2 LYS 1 HZ2 LYS 1 -9.850 -5.983 -3.488
15 HZ3 LYS 1 HZ3 LYS 1 -10.027 -7.641 -3.775
16 H TRP 2 HN TRP 2 -10.278 -2.386 2.074
17 HA TRP 2 HA TRP 2 -11.075 -1.673 -0.665
18 HB2 TRP 2 HB2 TRP 2 -11.326 -0.051 1.877
19 HB3 TRP 2 HB1 TRP 2 -11.908 0.429 0.286
20 HD1 TRP 2 HD1 TRP 2 -13.124 -2.587 -0.343
21 HE1 TRP 2 HE1 TRP 2 -15.378 -3.184 0.748
22 HE3 TRP 2 HE3 TRP 2 -13.145 0.867 3.427
23 HZ2 TRP 2 HZ2 TRP 2 -16.956 -2.308 2.918
24 HZ3 TRP 2 HZ3 TRP 2 -15.063 0.921 4.967
25 HH2 TRP 2 HH2 TRP 2 -16.929 -0.634 4.715
26 H CYS 3 HN CYS 3 -9.041 -0.489 2.011
27 HA CYS 3 HA CYS 3 -7.143 0.513 -0.003
28 HB2 CYS 3 HB2 CYS 3 -7.714 1.912 2.611
29 HB3 CYS 3 HB1 CYS 3 -6.746 2.503 1.264
30 H PHE 4 HN PHE 4 -4.947 0.433 0.563
31 HA PHE 4 HA PHE 4 -4.193 -0.733 3.112
32 HB2 PHE 4 HB2 PHE 4 -2.970 -2.599 2.107
33 HB3 PHE 4 HB1 PHE 4 -4.685 -2.700 1.725
34 HD1 PHE 4 HD2 PHE 4 -5.371 -1.571 -0.553
35 HD2 PHE 4 HD1 PHE 4 -1.446 -2.901 0.417
36 HE1 PHE 4 HE2 PHE 4 -4.830 -1.710 -2.950
37 HE2 PHE 4 HE1 PHE 4 -0.898 -3.041 -1.978
38 HZ PHE 4 HZ PHE 4 -2.592 -2.447 -3.664
39 H ARG 5 HN ARG 5 -1.871 -0.723 3.465
40 HA ARG 5 HA ARG 5 -0.369 1.018 1.641
41 HB2 ARG 5 HB2 ARG 5 0.576 2.200 3.635
42 HB3 ARG 5 HB1 ARG 5 -1.131 2.510 3.355
43 HG2 ARG 5 HG2 ARG 5 -1.380 0.475 5.042
44 HG3 ARG 5 HG1 ARG 5 0.199 1.063 5.567
45 HD2 ARG 5 HD2 ARG 5 -0.645 3.143 6.187
46 HD3 ARG 5 HD1 ARG 5 -2.097 2.951 5.205
47 HE ARG 5 HE ARG 5 -1.715 2.081 7.901
48 HH11 ARG 5 HH11 ARG 5 -3.422 1.396 4.935
49 HH12 ARG 5 HH12 ARG 5 -4.730 0.587 5.729
50 HH21 ARG 5 HH21 ARG 5 -3.435 1.017 8.946
51 HH22 ARG 5 HH22 ARG 5 -4.740 0.372 8.005
52 H VAL 6 HN VAL 6 1.578 0.226 1.171
53 HA VAL 6 HA VAL 6 3.075 -1.310 3.121
54 HB VAL 6 HB VAL 6 3.485 -3.145 1.392
55 HG11 VAL 6 HG11 VAL 6 1.840 -3.030 3.504
56 HG12 VAL 6 HG12 VAL 6 2.014 -4.464 2.494
57 HG13 VAL 6 HG13 VAL 6 0.661 -3.361 2.234
58 HG21 VAL 6 HG21 VAL 6 2.057 -1.590 -0.281
59 HG22 VAL 6 HG22 VAL 6 0.787 -2.666 0.302
60 HG23 VAL 6 HG23 VAL 6 2.224 -3.335 -0.472
61 H CYS 7 HN CYS 7 5.008 -0.386 3.057
62 HA CYS 7 HA CYS 7 6.261 0.078 0.445
63 HB2 CYS 7 HB2 CYS 7 6.254 2.064 2.728
64 HB3 CYS 7 HB1 CYS 7 7.158 2.236 1.226
65 H TYR 8 HN TYR 8 8.223 -0.782 0.329
66 HA TYR 8 HA TYR 8 9.550 -1.573 2.826
67 HB2 TYR 8 HB2 TYR 8 9.386 -2.738 0.112
68 HB3 TYR 8 HB1 TYR 8 10.954 -2.864 0.902
69 HD1 TYR 8 HD2 TYR 8 10.980 -3.862 3.284
70 HD2 TYR 8 HD1 TYR 8 7.707 -4.279 0.599
71 HE1 TYR 8 HE2 TYR 8 10.184 -5.804 4.565
72 HE2 TYR 8 HE1 TYR 8 6.901 -6.221 1.873
73 HH TYR 8 HH TYR 8 8.477 -8.011 3.692
74 H ARG 9 HN ARG 9 12.047 -1.697 2.519
75 HA ARG 9 HA ARG 9 13.003 0.932 2.281
76 HB2 ARG 9 HB2 ARG 9 14.562 -1.657 2.207
77 HB3 ARG 9 HB1 ARG 9 15.243 -0.062 2.495
78 HG2 ARG 9 HG2 ARG 9 15.043 -0.714 4.645
79 HG3 ARG 9 HG1 ARG 9 13.408 -0.085 4.432
80 HD2 ARG 9 HD2 ARG 9 12.540 -2.090 4.824
81 HD3 ARG 9 HD1 ARG 9 13.510 -2.802 3.535
82 HE ARG 9 HE ARG 9 14.037 -2.891 6.367
83 HH11 ARG 9 HH11 ARG 9 15.415 -3.179 3.173
84 HH12 ARG 9 HH12 ARG 9 16.751 -4.145 3.700
85 HH21 ARG 9 HH21 ARG 9 15.795 -4.162 7.062
86 HH22 ARG 9 HH22 ARG 9 16.966 -4.703 5.908
87 H GLY 10 HN GLY 10 12.509 -1.525 -0.085
88 HA2 GLY 10 HA2 GLY 10 14.347 -0.331 -1.997
89 HA3 GLY 10 HA1 GLY 10 13.348 -1.750 -2.258
90 H ILE 11 HN ILE 11 10.887 -0.429 -1.387
91 HA ILE 11 HA ILE 11 10.499 1.807 -3.170
92 HB ILE 11 HB ILE 11 8.625 0.639 -4.407
93 HG12 ILE 11 HG12 ILE 11 10.065 -1.812 -3.365
94 HG13 ILE 11 HG11 ILE 11 8.428 -1.319 -2.946
95 HG21 ILE 11 HG21 ILE 11 11.002 1.154 -5.239
96 HG22 ILE 11 HG22 ILE 11 10.029 0.002 -6.153
97 HG23 ILE 11 HG23 ILE 11 11.285 -0.577 -5.058
98 HD11 ILE 11 HD11 ILE 11 9.332 -2.903 -5.138
99 HD12 ILE 11 HD12 ILE 11 8.517 -1.462 -5.747
100 HD13 ILE 11 HD13 ILE 11 7.683 -2.541 -4.627
101 H CYS 12 HN CYS 12 8.073 2.380 -3.247
102 HA CYS 12 HA CYS 12 6.700 1.618 -0.774
103 HB2 CYS 12 HB2 CYS 12 7.893 3.653 -0.202
104 HB3 CYS 12 HB1 CYS 12 7.271 4.462 -1.635
105 H TYR 13 HN TYR 13 4.684 1.045 -1.222
106 HA TYR 13 HA TYR 13 3.306 2.360 -3.466
107 HB2 TYR 13 HB2 TYR 13 3.480 -0.575 -2.823
108 HB3 TYR 13 HB1 TYR 13 2.142 0.076 -3.764
109 HD1 TYR 13 HD2 TYR 13 3.111 1.832 -5.668
110 HD2 TYR 13 HD1 TYR 13 5.115 -1.574 -4.090
111 HE1 TYR 13 HE2 TYR 13 4.476 1.698 -7.708
112 HE2 TYR 13 HE1 TYR 13 6.486 -1.717 -6.126
113 HH TYR 13 HH TYR 13 6.152 -0.925 -8.631
114 H ARG 14 HN ARG 14 1.256 3.006 -3.092
115 HA ARG 14 HA ARG 14 -0.310 1.912 -0.933
116 HB2 ARG 14 HB2 ARG 14 1.353 3.882 -0.155
117 HB3 ARG 14 HB1 ARG 14 -0.006 4.853 -0.705
118 HG2 ARG 14 HG2 ARG 14 -1.291 3.010 0.794
119 HG3 ARG 14 HG1 ARG 14 0.250 3.117 1.649
120 HD2 ARG 14 HD2 ARG 14 -0.765 4.838 2.696
121 HD3 ARG 14 HD1 ARG 14 -0.248 5.730 1.266
122 HE ARG 14 HE ARG 14 -2.829 4.514 0.969
123 HH11 ARG 14 HH11 ARG 14 -1.123 7.308 2.180
124 HH12 ARG 14 HH12 ARG 14 -2.501 8.351 2.070
125 HH21 ARG 14 HH21 ARG 14 -4.642 5.885 0.825
126 HH22 ARG 14 HH22 ARG 14 -4.498 7.543 1.302
127 H ARG 15 HN ARG 15 -2.491 2.329 -1.147
128 HA ARG 15 HA ARG 15 -3.466 4.332 -2.964
129 HB2 ARG 15 HB2 ARG 15 -4.538 2.812 -4.534
130 HB3 ARG 15 HB1 ARG 15 -2.798 2.564 -4.539
131 HG2 ARG 15 HG2 ARG 15 -3.389 0.703 -2.779
132 HG3 ARG 15 HG1 ARG 15 -4.967 0.784 -3.565
133 HD2 ARG 15 HD2 ARG 15 -3.226 0.744 -5.691
134 HD3 ARG 15 HD1 ARG 15 -2.444 -0.325 -4.527
135 HE ARG 15 HE ARG 15 -4.107 -1.859 -4.869
136 HH11 ARG 15 HH11 ARG 15 -5.135 1.222 -6.146
137 HH12 ARG 15 HH12 ARG 15 -6.559 0.579 -6.893
138 HH21 ARG 15 HH21 ARG 15 -5.980 -2.707 -5.849
139 HH22 ARG 15 HH22 ARG 15 -7.040 -1.651 -6.724
140 H CYS 16 HN CYS 16 -5.772 4.534 -2.927
141 HA CYS 16 HA CYS 16 -7.290 2.852 -1.131
142 HB2 CYS 16 HB2 CYS 16 -6.217 4.438 0.417
143 HB3 CYS 16 HB1 CYS 16 -6.881 5.783 -0.503
144 H ARG 17 HN ARG 17 -8.708 2.414 -2.773
145 HA ARG 17 HA ARG 17 -10.627 4.486 -3.383
146 HB2 ARG 17 HB2 ARG 17 -8.590 4.343 -5.136
147 HB3 ARG 17 HB1 ARG 17 -9.638 3.106 -5.814
148 HG2 ARG 17 HG2 ARG 17 -11.434 5.063 -5.460
149 HG3 ARG 17 HG1 ARG 17 -9.978 6.030 -5.705
150 HD2 ARG 17 HD2 ARG 17 -9.571 5.018 -7.823
151 HD3 ARG 17 HD1 ARG 17 -10.823 3.806 -7.551
152 HE ARG 17 HE ARG 17 -11.973 6.368 -7.437
153 HH11 ARG 17 HH11 ARG 17 -10.562 4.158 -9.740
154 HH12 ARG 17 HH12 ARG 17 -11.487 4.761 -11.074
155 HH21 ARG 17 HH21 ARG 17 -13.191 7.162 -9.190
156 HH22 ARG 17 HH22 ARG 17 -12.980 6.467 -10.763
157 HN1 NH2 18 HN1 NH2 18 -12.298 3.332 -2.584
158 HN2 NH2 18 HN2 NH2 18 -12.786 1.775 -3.154
Start of MODEL 10
1 H1 LYS 1 HT1 LYS 1 -14.505 -1.618 1.253
2 H2 LYS 1 HT2 LYS 1 -15.089 -0.029 1.532
3 H3 LYS 1 HT3 LYS 1 -14.093 -0.798 2.700
4 HA LYS 1 HA LYS 1 -13.203 -0.256 -0.042
5 HB2 LYS 1 HB2 LYS 1 -12.170 1.782 0.826
6 HB3 LYS 1 HB1 LYS 1 -13.916 1.841 1.029
7 HG2 LYS 1 HG2 LYS 1 -13.528 1.040 3.400
8 HG3 LYS 1 HG1 LYS 1 -11.818 1.377 3.125
9 HD2 LYS 1 HD2 LYS 1 -12.917 3.688 2.264
10 HD3 LYS 1 HD1 LYS 1 -14.082 3.227 3.506
11 HE2 LYS 1 HE2 LYS 1 -12.649 4.277 4.887
12 HE3 LYS 1 HE1 LYS 1 -11.759 2.757 4.804
13 HZ1 LYS 1 HZ1 LYS 1 -10.213 3.637 3.368
14 HZ2 LYS 1 HZ2 LYS 1 -10.540 4.972 4.354
15 HZ3 LYS 1 HZ3 LYS 1 -11.239 4.865 2.818
16 H TRP 2 HN TRP 2 -11.445 -1.433 -0.388
17 HA TRP 2 HA TRP 2 -10.000 -2.603 1.840
18 HB2 TRP 2 HB2 TRP 2 -9.387 -2.923 -1.099
19 HB3 TRP 2 HB1 TRP 2 -8.920 -3.989 0.222
20 HD1 TRP 2 HD1 TRP 2 -11.024 -4.267 -2.537
21 HE1 TRP 2 HE1 TRP 2 -13.143 -5.660 -2.098
22 HE3 TRP 2 HE3 TRP 2 -11.026 -4.154 2.574
23 HZ2 TRP 2 HZ2 TRP 2 -14.620 -6.588 0.121
24 HZ3 TRP 2 HZ3 TRP 2 -12.827 -5.319 3.779
25 HH2 TRP 2 HH2 TRP 2 -14.587 -6.510 2.576
26 H CYS 3 HN CYS 3 -8.633 -1.234 2.818
27 HA CYS 3 HA CYS 3 -6.964 0.532 1.182
28 HB2 CYS 3 HB2 CYS 3 -8.346 1.156 3.381
29 HB3 CYS 3 HB1 CYS 3 -6.858 0.620 4.154
30 H PHE 4 HN PHE 4 -4.966 -0.064 0.697
31 HA PHE 4 HA PHE 4 -3.589 -1.962 2.483
32 HB2 PHE 4 HB2 PHE 4 -3.817 -1.831 -0.476
33 HB3 PHE 4 HB1 PHE 4 -2.253 -2.309 0.179
34 HD1 PHE 4 HD1 PHE 4 -5.838 -3.053 0.926
35 HD2 PHE 4 HD2 PHE 4 -1.919 -4.567 0.254
36 HE1 PHE 4 HE1 PHE 4 -6.676 -5.345 1.237
37 HE2 PHE 4 HE2 PHE 4 -2.749 -6.863 0.563
38 HZ PHE 4 HZ PHE 4 -5.130 -7.255 1.055
39 H ARG 5 HN ARG 5 -1.597 -1.452 3.210
40 HA ARG 5 HA ARG 5 -0.185 0.818 2.014
41 HB2 ARG 5 HB2 ARG 5 -1.260 0.648 4.782
42 HB3 ARG 5 HB1 ARG 5 0.332 1.367 4.578
43 HG2 ARG 5 HG2 ARG 5 -0.930 3.237 4.379
44 HG3 ARG 5 HG1 ARG 5 -0.937 2.727 2.690
45 HD2 ARG 5 HD2 ARG 5 -3.062 1.372 3.471
46 HD3 ARG 5 HD1 ARG 5 -3.106 2.610 4.725
47 HE ARG 5 HE ARG 5 -3.785 2.931 1.972
48 HH11 ARG 5 HH11 ARG 5 -2.495 4.592 4.756
49 HH12 ARG 5 HH12 ARG 5 -2.993 6.158 4.209
50 HH21 ARG 5 HH21 ARG 5 -4.440 4.989 1.250
51 HH22 ARG 5 HH22 ARG 5 -4.098 6.383 2.219
52 H VAL 6 HN VAL 6 1.663 -0.087 1.377
53 HA VAL 6 HA VAL 6 3.349 -1.372 3.363
54 HB VAL 6 HB VAL 6 2.783 -2.789 0.759
55 HG11 VAL 6 HG11 VAL 6 4.852 -3.548 1.330
56 HG12 VAL 6 HG12 VAL 6 3.877 -4.652 2.301
57 HG13 VAL 6 HG13 VAL 6 4.614 -3.236 3.050
58 HG21 VAL 6 HG21 VAL 6 1.590 -4.461 2.122
59 HG22 VAL 6 HG22 VAL 6 0.797 -2.886 2.144
60 HG23 VAL 6 HG23 VAL 6 1.757 -3.408 3.528
61 H CYS 7 HN CYS 7 5.390 -0.710 3.132
62 HA CYS 7 HA CYS 7 6.408 -0.026 0.486
63 HB2 CYS 7 HB2 CYS 7 6.560 1.906 2.808
64 HB3 CYS 7 HB1 CYS 7 7.232 2.152 1.198
65 H TYR 8 HN TYR 8 8.552 -0.408 0.232
66 HA TYR 8 HA TYR 8 9.952 -1.540 2.552
67 HB2 TYR 8 HB2 TYR 8 9.545 -2.691 0.147
68 HB3 TYR 8 HB1 TYR 8 11.079 -1.887 -0.166
69 HD1 TYR 8 HD1 TYR 8 9.513 -3.965 2.524
70 HD2 TYR 8 HD2 TYR 8 12.985 -3.121 0.214
71 HE1 TYR 8 HE1 TYR 8 10.698 -5.805 3.644
72 HE2 TYR 8 HE2 TYR 8 14.180 -4.959 1.327
73 HH TYR 8 HH TYR 8 14.078 -6.253 3.369
74 H ARG 9 HN ARG 9 12.524 -1.403 1.924
75 HA ARG 9 HA ARG 9 13.325 1.147 2.622
76 HB2 ARG 9 HB2 ARG 9 14.586 -1.223 2.393
77 HB3 ARG 9 HB1 ARG 9 15.226 -0.412 0.972
78 HG2 ARG 9 HG2 ARG 9 15.750 1.526 2.591
79 HG3 ARG 9 HG1 ARG 9 15.540 0.311 3.855
80 HD2 ARG 9 HD2 ARG 9 17.404 -0.007 1.509
81 HD3 ARG 9 HD1 ARG 9 17.900 0.628 3.079
82 HE ARG 9 HE ARG 9 16.628 -1.842 3.462
83 HH11 ARG 9 HH11 ARG 9 19.564 -0.538 2.099
84 HH12 ARG 9 HH12 ARG 9 20.490 -1.969 2.405
85 HH21 ARG 9 HH21 ARG 9 17.844 -3.725 3.865
86 HH22 ARG 9 HH22 ARG 9 19.513 -3.778 3.407
87 H GLY 10 HN GLY 10 12.714 -0.175 -0.560
88 HA2 GLY 10 HA2 GLY 10 13.021 2.522 -1.664
89 HA3 GLY 10 HA1 GLY 10 13.951 1.227 -2.400
90 H ILE 11 HN ILE 11 10.782 0.578 -1.133
91 HA ILE 11 HA ILE 11 9.542 0.854 -3.759
92 HB ILE 11 HB ILE 11 9.476 -1.783 -2.289
93 HG12 ILE 11 HG12 ILE 11 10.713 -2.482 -4.494
94 HG13 ILE 11 HG11 ILE 11 11.181 -0.786 -4.544
95 HG21 ILE 11 HG21 ILE 11 8.095 -0.677 -4.659
96 HG22 ILE 11 HG22 ILE 11 7.543 -1.856 -3.470
97 HG23 ILE 11 HG23 ILE 11 8.639 -2.352 -4.760
98 HD11 ILE 11 HD11 ILE 11 12.922 -1.450 -3.324
99 HD12 ILE 11 HD12 ILE 11 12.133 -2.951 -2.837
100 HD13 ILE 11 HD13 ILE 11 11.785 -1.451 -1.976
101 H CYS 12 HN CYS 12 8.232 2.439 -2.811
102 HA CYS 12 HA CYS 12 6.401 1.500 -0.712
103 HB2 CYS 12 HB2 CYS 12 7.725 3.524 -0.177
104 HB3 CYS 12 HB1 CYS 12 7.005 4.339 -1.560
105 H TYR 13 HN TYR 13 4.303 1.243 -1.132
106 HA TYR 13 HA TYR 13 3.076 2.616 -3.387
107 HB2 TYR 13 HB2 TYR 13 3.733 -0.243 -3.352
108 HB3 TYR 13 HB1 TYR 13 2.045 0.088 -3.726
109 HD1 TYR 13 HD1 TYR 13 1.505 1.595 -5.670
110 HD2 TYR 13 HD2 TYR 13 5.431 0.119 -4.952
111 HE1 TYR 13 HE1 TYR 13 2.118 2.115 -7.994
112 HE2 TYR 13 HE2 TYR 13 6.055 0.637 -7.274
113 HH TYR 13 HH TYR 13 3.966 1.141 -9.672
114 H ARG 14 HN ARG 14 0.889 2.938 -3.160
115 HA ARG 14 HA ARG 14 -0.385 1.797 -0.766
116 HB2 ARG 14 HB2 ARG 14 -0.662 4.659 -1.701
117 HB3 ARG 14 HB1 ARG 14 -1.445 3.942 -0.299
118 HG2 ARG 14 HG2 ARG 14 0.383 4.138 0.985
119 HG3 ARG 14 HG1 ARG 14 1.480 3.710 -0.330
120 HD2 ARG 14 HD2 ARG 14 1.680 6.066 0.553
121 HD3 ARG 14 HD1 ARG 14 1.459 5.912 -1.189
122 HE ARG 14 HE ARG 14 -0.568 6.965 -0.997
123 HH11 ARG 14 HH11 ARG 14 0.526 6.011 2.177
124 HH12 ARG 14 HH12 ARG 14 -0.715 6.891 3.005
125 HH21 ARG 14 HH21 ARG 14 -2.200 8.122 0.091
126 HH22 ARG 14 HH22 ARG 14 -2.263 8.089 1.822
127 H ARG 15 HN ARG 15 -2.415 1.056 -1.039
128 HA ARG 15 HA ARG 15 -3.828 1.756 -3.520
129 HB2 ARG 15 HB2 ARG 15 -3.817 -1.035 -2.383
130 HB3 ARG 15 HB1 ARG 15 -4.415 -0.507 -3.949
131 HG2 ARG 15 HG2 ARG 15 -1.880 0.222 -4.243
132 HG3 ARG 15 HG1 ARG 15 -1.646 -1.067 -3.060
133 HD2 ARG 15 HD2 ARG 15 -3.244 -1.421 -5.587
134 HD3 ARG 15 HD1 ARG 15 -1.513 -1.748 -5.492
135 HE ARG 15 HE ARG 15 -3.636 -3.383 -4.487
136 HH11 ARG 15 HH11 ARG 15 -0.291 -2.499 -4.031
137 HH12 ARG 15 HH12 ARG 15 0.127 -3.988 -3.253
138 HH21 ARG 15 HH21 ARG 15 -3.089 -5.342 -3.461
139 HH22 ARG 15 HH22 ARG 15 -1.462 -5.602 -2.930
140 H CYS 16 HN CYS 16 -5.302 3.077 -2.519
141 HA CYS 16 HA CYS 16 -7.216 1.718 -0.755
142 HB2 CYS 16 HB2 CYS 16 -5.533 3.344 0.413
143 HB3 CYS 16 HB1 CYS 16 -6.544 4.603 -0.288
144 H ARG 17 HN ARG 17 -7.263 2.295 -3.605
145 HA ARG 17 HA ARG 17 -9.241 4.428 -3.848
146 HB2 ARG 17 HB2 ARG 17 -7.449 2.978 -5.708
147 HB3 ARG 17 HB1 ARG 17 -9.007 3.465 -6.361
148 HG2 ARG 17 HG2 ARG 17 -7.840 5.331 -6.867
149 HG3 ARG 17 HG1 ARG 17 -8.312 5.771 -5.225
150 HD2 ARG 17 HD2 ARG 17 -5.849 4.196 -5.383
151 HD3 ARG 17 HD1 ARG 17 -5.753 5.762 -6.186
152 HE ARG 17 HE ARG 17 -5.738 5.302 -3.401
153 HH11 ARG 17 HH11 ARG 17 -7.029 7.499 -5.787
154 HH12 ARG 17 HH12 ARG 17 -7.108 8.838 -4.693
155 HH21 ARG 17 HH21 ARG 17 -5.842 7.063 -1.962
156 HH22 ARG 17 HH22 ARG 17 -6.434 8.592 -2.521
157 HN1 NH2 18 HN1 NH2 18 -8.936 1.007 -4.790
158 HN2 NH2 18 HN2 NH2 18 -10.629 0.663 -4.733
Start of MODEL 11
1 H1 LYS 1 HT1 LYS 1 -9.481 -5.270 4.770
2 H2 LYS 1 HT2 LYS 1 -10.071 -3.660 4.814
3 H3 LYS 1 HT3 LYS 1 -8.659 -4.035 3.912
4 HA LYS 1 HA LYS 1 -9.818 -5.171 2.315
5 HB2 LYS 1 HB2 LYS 1 -12.033 -5.148 4.362
6 HB3 LYS 1 HB1 LYS 1 -12.326 -5.552 2.675
7 HG2 LYS 1 HG2 LYS 1 -11.328 -7.572 2.840
8 HG3 LYS 1 HG1 LYS 1 -10.137 -7.012 4.016
9 HD2 LYS 1 HD2 LYS 1 -11.922 -6.972 5.735
10 HD3 LYS 1 HD1 LYS 1 -13.039 -7.647 4.548
11 HE2 LYS 1 HE2 LYS 1 -12.268 -9.473 5.833
12 HE3 LYS 1 HE1 LYS 1 -11.413 -9.563 4.294
13 HZ1 LYS 1 HZ1 LYS 1 -10.386 -8.875 6.953
14 HZ2 LYS 1 HZ2 LYS 1 -9.647 -8.179 5.601
15 HZ3 LYS 1 HZ3 LYS 1 -9.706 -9.862 5.757
16 H TRP 2 HN TRP 2 -9.245 -2.415 2.899
17 HA TRP 2 HA TRP 2 -11.272 -1.187 1.187
18 HB2 TRP 2 HB2 TRP 2 -10.443 -0.182 3.903
19 HB3 TRP 2 HB1 TRP 2 -11.100 0.900 2.679
20 HD1 TRP 2 HD1 TRP 2 -13.474 -0.748 1.545
21 HE1 TRP 2 HE1 TRP 2 -15.515 -1.312 3.009
22 HE3 TRP 2 HE3 TRP 2 -11.336 -0.223 6.159
23 HZ2 TRP 2 HZ2 TRP 2 -16.137 -1.507 5.755
24 HZ3 TRP 2 HZ3 TRP 2 -12.722 -0.615 8.153
25 HH2 TRP 2 HH2 TRP 2 -15.072 -1.244 7.954
26 H CYS 3 HN CYS 3 -8.165 -0.737 2.854
27 HA CYS 3 HA CYS 3 -7.174 0.623 0.436
28 HB2 CYS 3 HB2 CYS 3 -7.011 1.402 3.282
29 HB3 CYS 3 HB1 CYS 3 -5.519 1.576 2.365
30 H PHE 4 HN PHE 4 -5.382 -0.191 -0.462
31 HA PHE 4 HA PHE 4 -3.896 -2.236 1.055
32 HB2 PHE 4 HB2 PHE 4 -5.165 -2.365 -1.526
33 HB3 PHE 4 HB1 PHE 4 -3.433 -2.625 -1.704
34 HD1 PHE 4 HD2 PHE 4 -6.488 -3.849 -0.042
35 HD2 PHE 4 HD1 PHE 4 -2.409 -4.627 -0.976
36 HE1 PHE 4 HE2 PHE 4 -6.766 -6.179 0.700
37 HE2 PHE 4 HE1 PHE 4 -2.680 -6.958 -0.236
38 HZ PHE 4 HZ PHE 4 -4.861 -7.736 0.603
39 H ARG 5 HN ARG 5 -2.411 -0.697 1.846
40 HA ARG 5 HA ARG 5 -0.479 0.213 -0.178
41 HB2 ARG 5 HB2 ARG 5 -0.107 2.263 1.085
42 HB3 ARG 5 HB1 ARG 5 -1.797 2.132 0.619
43 HG2 ARG 5 HG2 ARG 5 -1.589 0.925 3.144
44 HG3 ARG 5 HG1 ARG 5 -0.648 2.415 3.225
45 HD2 ARG 5 HD2 ARG 5 -3.543 2.098 2.458
46 HD3 ARG 5 HD1 ARG 5 -2.886 2.939 3.861
47 HE ARG 5 HE ARG 5 -1.947 4.035 1.395
48 HH11 ARG 5 HH11 ARG 5 -4.628 4.023 3.629
49 HH12 ARG 5 HH12 ARG 5 -5.180 5.597 3.168
50 HH21 ARG 5 HH21 ARG 5 -2.672 6.107 0.789
51 HH22 ARG 5 HH22 ARG 5 -4.070 6.782 1.555
52 H VAL 6 HN VAL 6 1.642 -0.102 0.293
53 HA VAL 6 HA VAL 6 2.440 -0.846 2.992
54 HB VAL 6 HB VAL 6 1.798 -2.987 1.975
55 HG11 VAL 6 HG11 VAL 6 4.050 -2.843 0.039
56 HG12 VAL 6 HG12 VAL 6 2.534 -2.044 -0.378
57 HG13 VAL 6 HG13 VAL 6 2.553 -3.773 -0.032
58 HG21 VAL 6 HG21 VAL 6 3.614 -4.161 2.760
59 HG22 VAL 6 HG22 VAL 6 3.891 -2.583 3.495
60 HG23 VAL 6 HG23 VAL 6 4.780 -3.048 2.045
61 H CYS 7 HN CYS 7 4.444 -0.157 3.473
62 HA CYS 7 HA CYS 7 5.971 1.132 1.339
63 HB2 CYS 7 HB2 CYS 7 5.574 1.614 4.191
64 HB3 CYS 7 HB1 CYS 7 7.269 1.688 3.723
65 H TYR 8 HN TYR 8 7.371 -0.182 0.359
66 HA TYR 8 HA TYR 8 8.646 -2.350 1.793
67 HB2 TYR 8 HB2 TYR 8 7.815 -2.545 -0.580
68 HB3 TYR 8 HB1 TYR 8 9.128 -1.474 -1.059
69 HD1 TYR 8 HD1 TYR 8 9.061 -4.324 1.349
70 HD2 TYR 8 HD2 TYR 8 10.630 -2.752 -2.279
71 HE1 TYR 8 HE1 TYR 8 10.565 -6.261 1.167
72 HE2 TYR 8 HE2 TYR 8 12.138 -4.686 -2.472
73 HH TYR 8 HH TYR 8 12.326 -6.961 -1.683
74 H ARG 9 HN ARG 9 10.895 -2.609 2.039
75 HA ARG 9 HA ARG 9 12.300 -0.368 2.906
76 HB2 ARG 9 HB2 ARG 9 14.315 -1.879 2.816
77 HB3 ARG 9 HB1 ARG 9 12.946 -2.511 3.720
78 HG2 ARG 9 HG2 ARG 9 12.602 -4.210 2.279
79 HG3 ARG 9 HG1 ARG 9 13.065 -3.254 0.871
80 HD2 ARG 9 HD2 ARG 9 15.407 -3.492 1.440
81 HD3 ARG 9 HD1 ARG 9 14.986 -4.353 2.919
82 HE ARG 9 HE ARG 9 13.841 -5.860 0.991
83 HH11 ARG 9 HH11 ARG 9 17.069 -4.604 1.425
84 HH12 ARG 9 HH12 ARG 9 17.827 -5.920 0.593
85 HH21 ARG 9 HH21 ARG 9 14.837 -7.591 -0.102
86 HH22 ARG 9 HH22 ARG 9 16.559 -7.616 -0.275
87 H GLY 10 HN GLY 10 12.076 -1.814 -0.260
88 HA2 GLY 10 HA2 GLY 10 14.310 -0.290 -1.312
89 HA3 GLY 10 HA1 GLY 10 13.262 -1.370 -2.218
90 H ILE 11 HN ILE 11 10.796 -0.131 -1.352
91 HA ILE 11 HA ILE 11 10.891 2.637 -2.124
92 HB ILE 11 HB ILE 11 11.051 1.578 -4.329
93 HG12 ILE 11 HG12 ILE 11 8.251 2.652 -4.053
94 HG13 ILE 11 HG11 ILE 11 9.658 3.689 -3.839
95 HG21 ILE 11 HG21 ILE 11 8.901 -0.084 -3.242
96 HG22 ILE 11 HG22 ILE 11 10.090 -0.438 -4.495
97 HG23 ILE 11 HG23 ILE 11 8.630 0.467 -4.895
98 HD11 ILE 11 HD11 ILE 11 8.376 2.906 -6.238
99 HD12 ILE 11 HD12 ILE 11 10.013 2.249 -6.245
100 HD13 ILE 11 HD13 ILE 11 9.758 3.980 -6.023
101 H CYS 12 HN CYS 12 8.780 3.666 -2.035
102 HA CYS 12 HA CYS 12 6.917 2.170 -0.313
103 HB2 CYS 12 HB2 CYS 12 7.824 5.006 -0.349
104 HB3 CYS 12 HB1 CYS 12 6.161 4.689 0.136
105 H TYR 13 HN TYR 13 4.863 1.884 -0.942
106 HA TYR 13 HA TYR 13 3.798 3.512 -3.133
107 HB2 TYR 13 HB2 TYR 13 4.273 0.578 -3.162
108 HB3 TYR 13 HB1 TYR 13 2.764 1.150 -3.867
109 HD1 TYR 13 HD2 TYR 13 3.549 3.656 -5.139
110 HD2 TYR 13 HD1 TYR 13 5.635 -0.046 -4.933
111 HE1 TYR 13 HE2 TYR 13 4.732 4.215 -7.220
112 HE2 TYR 13 HE1 TYR 13 6.825 0.503 -7.015
113 HH TYR 13 HH TYR 13 7.079 3.466 -8.261
114 H ARG 14 HN ARG 14 1.453 3.366 -3.342
115 HA ARG 14 HA ARG 14 0.024 2.226 -1.075
116 HB2 ARG 14 HB2 ARG 14 -0.236 5.153 -1.775
117 HB3 ARG 14 HB1 ARG 14 -1.075 4.302 -0.487
118 HG2 ARG 14 HG2 ARG 14 1.358 3.791 0.339
119 HG3 ARG 14 HG1 ARG 14 1.754 5.208 -0.636
120 HD2 ARG 14 HD2 ARG 14 -0.575 5.470 1.157
121 HD3 ARG 14 HD1 ARG 14 0.995 5.329 1.946
122 HE ARG 14 HE ARG 14 1.066 7.248 -0.146
123 HH11 ARG 14 HH11 ARG 14 -0.024 6.771 3.135
124 HH12 ARG 14 HH12 ARG 14 0.061 8.453 3.540
125 HH21 ARG 14 HH21 ARG 14 1.177 9.461 0.385
126 HH22 ARG 14 HH22 ARG 14 0.742 9.980 1.979
127 H ARG 15 HN ARG 15 -2.132 1.793 -1.484
128 HA ARG 15 HA ARG 15 -3.275 2.651 -4.027
129 HB2 ARG 15 HB2 ARG 15 -2.049 0.442 -4.334
130 HB3 ARG 15 HB1 ARG 15 -3.255 -0.270 -3.270
131 HG2 ARG 15 HG2 ARG 15 -3.999 -0.720 -5.442
132 HG3 ARG 15 HG1 ARG 15 -4.995 0.626 -4.885
133 HD2 ARG 15 HD2 ARG 15 -3.296 2.140 -6.030
134 HD3 ARG 15 HD1 ARG 15 -2.684 0.680 -6.806
135 HE ARG 15 HE ARG 15 -5.372 0.649 -7.294
136 HH11 ARG 15 HH11 ARG 15 -2.783 2.911 -7.893
137 HH12 ARG 15 HH12 ARG 15 -3.516 3.563 -9.320
138 HH21 ARG 15 HH21 ARG 15 -6.337 1.504 -9.171
139 HH22 ARG 15 HH22 ARG 15 -5.533 2.765 -10.046
140 H CYS 16 HN CYS 16 -5.303 3.279 -3.722
141 HA CYS 16 HA CYS 16 -6.978 1.897 -1.769
142 HB2 CYS 16 HB2 CYS 16 -6.349 4.847 -1.716
143 HB3 CYS 16 HB1 CYS 16 -7.782 4.174 -0.946
144 H ARG 17 HN ARG 17 -9.269 3.084 -1.846
145 HA ARG 17 HA ARG 17 -9.911 3.725 -4.639
146 HB2 ARG 17 HB2 ARG 17 -10.963 1.489 -2.983
147 HB3 ARG 17 HB1 ARG 17 -12.107 2.332 -4.018
148 HG2 ARG 17 HG2 ARG 17 -9.566 0.982 -4.906
149 HG3 ARG 17 HG1 ARG 17 -11.211 0.385 -5.141
150 HD2 ARG 17 HD2 ARG 17 -11.032 1.396 -7.142
151 HD3 ARG 17 HD1 ARG 17 -11.411 2.855 -6.226
152 HE ARG 17 HE ARG 17 -8.617 2.354 -6.245
153 HH11 ARG 17 HH11 ARG 17 -11.222 3.562 -8.227
154 HH12 ARG 17 HH12 ARG 17 -10.194 4.576 -9.182
155 HH21 ARG 17 HH21 ARG 17 -7.261 3.688 -7.499
156 HH22 ARG 17 HH22 ARG 17 -7.944 4.648 -8.768
157 HN1 NH2 18 HN1 NH2 18 -12.290 4.480 -4.760
158 HN2 NH2 18 HN2 NH2 18 -12.790 5.575 -3.521
Start of MODEL 12
1 H1 LYS 1 HT1 LYS 1 -14.678 -0.366 3.298
2 H2 LYS 1 HT2 LYS 1 -14.641 -2.022 3.746
3 H3 LYS 1 HT3 LYS 1 -15.499 -1.530 2.345
4 HA LYS 1 HA LYS 1 -13.351 -2.593 1.914
5 HB2 LYS 1 HB2 LYS 1 -14.486 -1.121 0.313
6 HB3 LYS 1 HB1 LYS 1 -13.743 0.285 1.065
7 HG2 LYS 1 HG2 LYS 1 -12.376 -0.024 -0.742
8 HG3 LYS 1 HG1 LYS 1 -11.513 -0.949 0.488
9 HD2 LYS 1 HD2 LYS 1 -11.541 -2.579 -1.065
10 HD3 LYS 1 HD1 LYS 1 -13.189 -2.840 -0.491
11 HE2 LYS 1 HE2 LYS 1 -13.601 -0.881 -2.304
12 HE3 LYS 1 HE1 LYS 1 -12.218 -1.698 -3.028
13 HZ1 LYS 1 HZ1 LYS 1 -14.944 -2.650 -2.637
14 HZ2 LYS 1 HZ2 LYS 1 -13.711 -3.791 -2.438
15 HZ3 LYS 1 HZ3 LYS 1 -13.861 -2.956 -3.901
16 H TRP 2 HN TRP 2 -11.197 -2.687 2.285
17 HA TRP 2 HA TRP 2 -10.095 -0.728 4.178
18 HB2 TRP 2 HB2 TRP 2 -9.694 -3.637 3.753
19 HB3 TRP 2 HB1 TRP 2 -8.276 -2.709 4.234
20 HD1 TRP 2 HD1 TRP 2 -8.669 -1.185 6.581
21 HE1 TRP 2 HE1 TRP 2 -9.904 -1.895 8.724
22 HE3 TRP 2 HE3 TRP 2 -11.474 -5.012 4.675
23 HZ2 TRP 2 HZ2 TRP 2 -11.814 -3.822 9.504
24 HZ3 TRP 2 HZ3 TRP 2 -12.980 -6.237 6.187
25 HH2 TRP 2 HH2 TRP 2 -13.145 -5.654 8.552
26 H CYS 3 HN CYS 3 -8.127 0.262 3.808
27 HA CYS 3 HA CYS 3 -7.347 0.427 1.016
28 HB2 CYS 3 HB2 CYS 3 -6.849 2.052 3.469
29 HB3 CYS 3 HB1 CYS 3 -5.689 2.166 2.148
30 H PHE 4 HN PHE 4 -5.501 -0.339 0.151
31 HA PHE 4 HA PHE 4 -3.818 -2.003 1.866
32 HB2 PHE 4 HB2 PHE 4 -4.899 -2.663 -0.458
33 HB3 PHE 4 HB1 PHE 4 -3.461 -1.875 -1.098
34 HD1 PHE 4 HD1 PHE 4 -3.932 -4.012 1.916
35 HD2 PHE 4 HD2 PHE 4 -2.075 -3.539 -1.884
36 HE1 PHE 4 HE1 PHE 4 -2.640 -6.070 2.296
37 HE2 PHE 4 HE2 PHE 4 -0.779 -5.597 -1.511
38 HZ PHE 4 HZ PHE 4 -1.061 -6.866 0.581
39 H ARG 5 HN ARG 5 -1.613 -1.747 2.056
40 HA ARG 5 HA ARG 5 -0.322 0.459 0.653
41 HB2 ARG 5 HB2 ARG 5 -1.211 1.470 2.706
42 HB3 ARG 5 HB1 ARG 5 -0.388 0.252 3.669
43 HG2 ARG 5 HG2 ARG 5 1.633 1.244 3.450
44 HG3 ARG 5 HG1 ARG 5 1.289 1.837 1.824
45 HD2 ARG 5 HD2 ARG 5 -0.262 3.507 2.842
46 HD3 ARG 5 HD1 ARG 5 0.290 2.976 4.431
47 HE ARG 5 HE ARG 5 1.699 4.661 2.577
48 HH11 ARG 5 HH11 ARG 5 2.031 2.458 5.263
49 HH12 ARG 5 HH12 ARG 5 3.554 3.107 5.769
50 HH21 ARG 5 HH21 ARG 5 3.703 5.516 3.240
51 HH22 ARG 5 HH22 ARG 5 4.503 4.844 4.622
52 H VAL 6 HN VAL 6 1.438 -0.409 -0.205
53 HA VAL 6 HA VAL 6 2.832 -2.542 1.264
54 HB VAL 6 HB VAL 6 2.047 -3.161 -0.983
55 HG11 VAL 6 HG11 VAL 6 2.723 -0.613 -1.709
56 HG12 VAL 6 HG12 VAL 6 2.349 -1.925 -2.826
57 HG13 VAL 6 HG13 VAL 6 4.027 -1.562 -2.423
58 HG21 VAL 6 HG21 VAL 6 5.049 -2.954 -0.755
59 HG22 VAL 6 HG22 VAL 6 4.175 -4.040 -1.834
60 HG23 VAL 6 HG23 VAL 6 4.038 -4.236 -0.087
61 H CYS 7 HN CYS 7 4.536 -1.860 2.374
62 HA CYS 7 HA CYS 7 6.107 0.394 1.323
63 HB2 CYS 7 HB2 CYS 7 5.004 0.166 3.780
64 HB3 CYS 7 HB1 CYS 7 6.581 -0.551 4.088
65 H TYR 8 HN TYR 8 7.992 -0.064 0.422
66 HA TYR 8 HA TYR 8 9.377 -2.536 1.233
67 HB2 TYR 8 HB2 TYR 8 8.707 -1.458 -1.390
68 HB3 TYR 8 HB1 TYR 8 10.425 -1.815 -1.238
69 HD1 TYR 8 HD1 TYR 8 10.958 -4.182 -0.178
70 HD2 TYR 8 HD2 TYR 8 7.289 -3.149 -2.068
71 HE1 TYR 8 HE1 TYR 8 10.501 -6.565 -0.578
72 HE2 TYR 8 HE2 TYR 8 6.821 -5.529 -2.473
73 HH TYR 8 HH TYR 8 7.526 -7.755 -1.392
74 H ARG 9 HN ARG 9 11.658 -2.490 1.378
75 HA ARG 9 HA ARG 9 12.751 -0.250 2.614
76 HB2 ARG 9 HB2 ARG 9 14.912 -1.368 2.394
77 HB3 ARG 9 HB1 ARG 9 13.664 -2.512 2.868
78 HG2 ARG 9 HG2 ARG 9 13.490 -3.208 0.484
79 HG3 ARG 9 HG1 ARG 9 14.876 -2.173 0.135
80 HD2 ARG 9 HD2 ARG 9 14.833 -4.501 2.053
81 HD3 ARG 9 HD1 ARG 9 15.563 -4.495 0.448
82 HE ARG 9 HE ARG 9 16.593 -2.433 2.145
83 HH11 ARG 9 HH11 ARG 9 16.860 -5.813 1.320
84 HH12 ARG 9 HH12 ARG 9 18.504 -5.941 1.849
85 HH21 ARG 9 HH21 ARG 9 18.755 -2.600 2.841
86 HH22 ARG 9 HH22 ARG 9 19.580 -4.117 2.714
87 H GLY 10 HN GLY 10 12.587 -1.107 -0.764
88 HA2 GLY 10 HA2 GLY 10 14.487 0.949 -1.545
89 HA3 GLY 10 HA1 GLY 10 13.613 -0.129 -2.622
90 H ILE 11 HN ILE 11 11.003 0.465 -1.519
91 HA ILE 11 HA ILE 11 10.570 3.295 -1.783
92 HB ILE 11 HB ILE 11 10.825 2.665 -4.146
93 HG12 ILE 11 HG12 ILE 11 7.896 3.138 -3.884
94 HG13 ILE 11 HG11 ILE 11 8.977 4.298 -3.117
95 HG21 ILE 11 HG21 ILE 11 10.058 0.315 -3.863
96 HG22 ILE 11 HG22 ILE 11 9.331 1.147 -5.239
97 HG23 ILE 11 HG23 ILE 11 8.404 0.916 -3.755
98 HD11 ILE 11 HD11 ILE 11 8.545 5.176 -5.232
99 HD12 ILE 11 HD12 ILE 11 8.731 3.610 -6.020
100 HD13 ILE 11 HD13 ILE 11 10.143 4.445 -5.374
101 H CYS 12 HN CYS 12 8.453 3.927 -1.234
102 HA CYS 12 HA CYS 12 6.760 1.762 -0.170
103 HB2 CYS 12 HB2 CYS 12 7.964 3.234 1.540
104 HB3 CYS 12 HB1 CYS 12 6.905 4.535 1.005
105 H TYR 13 HN TYR 13 4.769 1.671 -0.975
106 HA TYR 13 HA TYR 13 3.564 4.118 -2.066
107 HB2 TYR 13 HB2 TYR 13 4.063 1.531 -3.455
108 HB3 TYR 13 HB1 TYR 13 2.545 2.357 -3.795
109 HD1 TYR 13 HD2 TYR 13 3.223 5.150 -3.859
110 HD2 TYR 13 HD1 TYR 13 5.490 1.828 -5.246
111 HE1 TYR 13 HE2 TYR 13 4.377 6.614 -5.462
112 HE2 TYR 13 HE1 TYR 13 6.651 3.284 -6.852
113 HH TYR 13 HH TYR 13 6.353 5.387 -7.981
114 H ARG 14 HN ARG 14 1.152 3.605 -2.635
115 HA ARG 14 HA ARG 14 -0.128 1.646 -0.966
116 HB2 ARG 14 HB2 ARG 14 -1.496 3.515 0.201
117 HB3 ARG 14 HB1 ARG 14 0.097 3.111 0.826
118 HG2 ARG 14 HG2 ARG 14 0.083 5.427 0.828
119 HG3 ARG 14 HG1 ARG 14 0.942 5.028 -0.660
120 HD2 ARG 14 HD2 ARG 14 -0.653 6.799 -1.078
121 HD3 ARG 14 HD1 ARG 14 -1.150 5.332 -1.921
122 HE ARG 14 HE ARG 14 -3.060 5.335 -0.681
123 HH11 ARG 14 HH11 ARG 14 -0.678 7.277 0.974
124 HH12 ARG 14 HH12 ARG 14 -1.778 7.803 2.204
125 HH21 ARG 14 HH21 ARG 14 -4.508 6.027 0.936
126 HH22 ARG 14 HH22 ARG 14 -3.952 7.092 2.183
127 H ARG 15 HN ARG 15 -2.518 1.751 -1.161
128 HA ARG 15 HA ARG 15 -3.506 3.299 -3.426
129 HB2 ARG 15 HB2 ARG 15 -4.419 1.346 -4.558
130 HB3 ARG 15 HB1 ARG 15 -2.673 1.203 -4.409
131 HG2 ARG 15 HG2 ARG 15 -3.473 -0.073 -2.163
132 HG3 ARG 15 HG1 ARG 15 -4.812 -0.441 -3.252
133 HD2 ARG 15 HD2 ARG 15 -2.063 -0.740 -4.320
134 HD3 ARG 15 HD1 ARG 15 -2.601 -1.927 -3.132
135 HE ARG 15 HE ARG 15 -3.475 -1.682 -5.850
136 HH11 ARG 15 HH11 ARG 15 -4.393 -2.766 -2.663
137 HH12 ARG 15 HH12 ARG 15 -5.546 -3.917 -3.250
138 HH21 ARG 15 HH21 ARG 15 -4.992 -3.194 -6.624
139 HH22 ARG 15 HH22 ARG 15 -5.886 -4.160 -5.499
140 H CYS 16 HN CYS 16 -5.778 3.491 -3.501
141 HA CYS 16 HA CYS 16 -7.313 2.297 -1.327
142 HB2 CYS 16 HB2 CYS 16 -6.789 5.231 -1.660
143 HB3 CYS 16 HB1 CYS 16 -8.319 4.688 -0.979
144 H ARG 17 HN ARG 17 -7.260 1.971 -4.214
145 HA ARG 17 HA ARG 17 -10.089 2.314 -4.697
146 HB2 ARG 17 HB2 ARG 17 -9.780 3.470 -6.855
147 HB3 ARG 17 HB1 ARG 17 -9.261 4.452 -5.491
148 HG2 ARG 17 HG2 ARG 17 -7.003 3.007 -6.351
149 HG3 ARG 17 HG1 ARG 17 -7.787 3.645 -7.797
150 HD2 ARG 17 HD2 ARG 17 -7.905 5.797 -6.157
151 HD3 ARG 17 HD1 ARG 17 -6.406 5.049 -5.611
152 HE ARG 17 HE ARG 17 -5.424 5.640 -7.595
153 HH11 ARG 17 HH11 ARG 17 -8.883 5.992 -7.890
154 HH12 ARG 17 HH12 ARG 17 -8.797 6.784 -9.427
155 HH21 ARG 17 HH21 ARG 17 -5.308 6.683 -9.617
156 HH22 ARG 17 HH22 ARG 17 -6.768 7.177 -10.409
157 HN1 NH2 18 HN1 NH2 18 -10.077 0.046 -4.732
158 HN2 NH2 18 HN2 NH2 18 -9.428 -0.848 -6.059
Start of MODEL 13
1 H1 LYS 1 HT1 LYS 1 -13.843 3.453 -1.597
2 H2 LYS 1 HT2 LYS 1 -14.110 2.499 -2.998
3 H3 LYS 1 HT3 LYS 1 -12.702 3.471 -2.875
4 HA LYS 1 HA LYS 1 -13.390 1.141 -1.214
5 HB2 LYS 1 HB2 LYS 1 -11.431 0.147 -2.362
6 HB3 LYS 1 HB1 LYS 1 -12.738 0.539 -3.472
7 HG2 LYS 1 HG2 LYS 1 -10.691 2.626 -3.098
8 HG3 LYS 1 HG1 LYS 1 -10.169 1.155 -3.920
9 HD2 LYS 1 HD2 LYS 1 -11.796 1.417 -5.620
10 HD3 LYS 1 HD1 LYS 1 -12.648 2.667 -4.710
11 HE2 LYS 1 HE2 LYS 1 -10.553 4.061 -4.905
12 HE3 LYS 1 HE1 LYS 1 -9.956 2.858 -6.046
13 HZ1 LYS 1 HZ1 LYS 1 -12.614 3.917 -6.566
14 HZ2 LYS 1 HZ2 LYS 1 -11.366 3.546 -7.646
15 HZ3 LYS 1 HZ3 LYS 1 -11.331 4.999 -6.781
16 H TRP 2 HN TRP 2 -11.667 0.500 0.227
17 HA TRP 2 HA TRP 2 -10.248 2.827 1.304
18 HB2 TRP 2 HB2 TRP 2 -11.234 0.256 2.466
19 HB3 TRP 2 HB1 TRP 2 -9.863 1.056 3.229
20 HD1 TRP 2 HD1 TRP 2 -12.636 3.195 1.730
21 HE1 TRP 2 HE1 TRP 2 -13.907 4.366 3.638
22 HE3 TRP 2 HE3 TRP 2 -10.521 0.787 5.714
23 HZ2 TRP 2 HZ2 TRP 2 -14.000 4.280 6.458
24 HZ3 TRP 2 HZ3 TRP 2 -11.258 1.390 7.982
25 HH2 TRP 2 HH2 TRP 2 -12.961 3.101 8.346
26 H CYS 3 HN CYS 3 -8.043 2.671 1.942
27 HA CYS 3 HA CYS 3 -6.540 0.559 0.540
28 HB2 CYS 3 HB2 CYS 3 -5.534 3.371 0.965
29 HB3 CYS 3 HB1 CYS 3 -4.863 2.127 -0.085
30 H PHE 4 HN PHE 4 -4.514 -0.053 1.478
31 HA PHE 4 HA PHE 4 -4.467 0.355 4.389
32 HB2 PHE 4 HB2 PHE 4 -4.436 -1.988 2.906
33 HB3 PHE 4 HB1 PHE 4 -2.750 -1.773 3.368
34 HD1 PHE 4 HD2 PHE 4 -5.985 -1.119 5.114
35 HD2 PHE 4 HD1 PHE 4 -2.237 -3.134 5.138
36 HE1 PHE 4 HE2 PHE 4 -6.489 -2.023 7.346
37 HE2 PHE 4 HE1 PHE 4 -2.734 -4.042 7.370
38 HZ PHE 4 HZ PHE 4 -4.863 -3.486 8.477
39 H ARG 5 HN ARG 5 -1.932 -0.425 4.999
40 HA ARG 5 HA ARG 5 -0.248 1.559 3.613
41 HB2 ARG 5 HB2 ARG 5 -0.303 0.855 6.551
42 HB3 ARG 5 HB1 ARG 5 0.910 1.884 5.801
43 HG2 ARG 5 HG2 ARG 5 -1.045 3.334 5.035
44 HG3 ARG 5 HG1 ARG 5 -2.013 2.420 6.193
45 HD2 ARG 5 HD2 ARG 5 0.084 3.054 7.748
46 HD3 ARG 5 HD1 ARG 5 0.100 4.433 6.649
47 HE ARG 5 HE ARG 5 -1.779 5.215 7.679
48 HH11 ARG 5 HH11 ARG 5 -1.441 1.824 8.427
49 HH12 ARG 5 HH12 ARG 5 -2.756 1.814 9.554
50 HH21 ARG 5 HH21 ARG 5 -3.508 5.204 9.161
51 HH22 ARG 5 HH22 ARG 5 -3.930 3.733 9.971
52 H VAL 6 HN VAL 6 1.409 0.676 2.587
53 HA VAL 6 HA VAL 6 2.811 -1.590 3.795
54 HB VAL 6 HB VAL 6 2.008 -1.591 0.884
55 HG11 VAL 6 HG11 VAL 6 3.603 -3.410 2.631
56 HG12 VAL 6 HG12 VAL 6 3.920 -2.868 0.983
57 HG13 VAL 6 HG13 VAL 6 2.681 -4.084 1.287
58 HG21 VAL 6 HG21 VAL 6 0.818 -3.077 3.222
59 HG22 VAL 6 HG22 VAL 6 0.510 -3.474 1.531
60 HG23 VAL 6 HG23 VAL 6 0.013 -1.909 2.174
61 H CYS 7 HN CYS 7 4.950 -1.946 2.886
62 HA CYS 7 HA CYS 7 6.057 0.494 1.657
63 HB2 CYS 7 HB2 CYS 7 6.997 -1.179 3.929
64 HB3 CYS 7 HB1 CYS 7 8.227 -0.528 2.850
65 H TYR 8 HN TYR 8 6.992 0.248 -0.258
66 HA TYR 8 HA TYR 8 7.541 -2.469 -1.210
67 HB2 TYR 8 HB2 TYR 8 6.050 -1.045 -2.578
68 HB3 TYR 8 HB1 TYR 8 7.357 0.121 -2.767
69 HD1 TYR 8 HD2 TYR 8 7.186 -3.605 -3.057
70 HD2 TYR 8 HD1 TYR 8 8.141 0.091 -4.934
71 HE1 TYR 8 HE2 TYR 8 7.976 -4.824 -5.042
72 HE2 TYR 8 HE1 TYR 8 8.932 -1.117 -6.925
73 HH TYR 8 HH TYR 8 8.202 -3.909 -7.795
74 H ARG 9 HN ARG 9 9.511 -3.014 -2.193
75 HA ARG 9 HA ARG 9 11.829 -2.225 -0.967
76 HB2 ARG 9 HB2 ARG 9 11.558 -3.242 -3.801
77 HB3 ARG 9 HB1 ARG 9 13.036 -3.254 -2.848
78 HG2 ARG 9 HG2 ARG 9 12.038 -4.796 -1.267
79 HG3 ARG 9 HG1 ARG 9 10.511 -4.742 -2.152
80 HD2 ARG 9 HD2 ARG 9 11.916 -5.516 -4.172
81 HD3 ARG 9 HD1 ARG 9 13.127 -5.959 -2.969
82 HE ARG 9 HE ARG 9 11.821 -7.737 -2.356
83 HH11 ARG 9 HH11 ARG 9 9.909 -5.540 -4.278
84 HH12 ARG 9 HH12 ARG 9 8.562 -6.621 -4.400
85 HH21 ARG 9 HH21 ARG 9 10.050 -9.160 -2.515
86 HH22 ARG 9 HH22 ARG 9 8.641 -8.676 -3.398
87 H GLY 10 HN GLY 10 10.186 -0.672 -3.617
88 HA2 GLY 10 HA2 GLY 10 12.457 1.053 -4.206
89 HA3 GLY 10 HA1 GLY 10 10.900 1.062 -5.023
90 H ILE 11 HN ILE 11 9.194 1.366 -2.845
91 HA ILE 11 HA ILE 11 10.025 3.614 -1.253
92 HB ILE 11 HB ILE 11 8.142 5.080 -2.137
93 HG12 ILE 11 HG12 ILE 11 7.740 4.676 -4.639
94 HG13 ILE 11 HG11 ILE 11 8.342 3.045 -4.353
95 HG21 ILE 11 HG21 ILE 11 10.740 5.139 -2.617
96 HG22 ILE 11 HG22 ILE 11 9.626 6.247 -3.416
97 HG23 ILE 11 HG23 ILE 11 10.198 4.811 -4.262
98 HD11 ILE 11 HD11 ILE 11 5.743 3.828 -4.163
99 HD12 ILE 11 HD12 ILE 11 6.266 3.879 -2.479
100 HD13 ILE 11 HD13 ILE 11 6.431 2.389 -3.411
101 H CYS 12 HN CYS 12 8.055 4.526 -0.031
102 HA CYS 12 HA CYS 12 6.331 2.258 0.709
103 HB2 CYS 12 HB2 CYS 12 7.346 4.596 2.328
104 HB3 CYS 12 HB1 CYS 12 6.076 3.517 2.895
105 H TYR 13 HN TYR 13 4.219 2.418 0.334
106 HA TYR 13 HA TYR 13 2.905 5.009 0.371
107 HB2 TYR 13 HB2 TYR 13 1.926 4.785 -1.833
108 HB3 TYR 13 HB1 TYR 13 3.679 4.713 -1.973
109 HD1 TYR 13 HD2 TYR 13 4.571 2.138 -1.685
110 HD2 TYR 13 HD1 TYR 13 0.778 3.336 -3.195
111 HE1 TYR 13 HE2 TYR 13 4.388 0.007 -2.899
112 HE2 TYR 13 HE1 TYR 13 0.584 1.208 -4.412
113 HH TYR 13 HH TYR 13 3.189 -0.891 -4.875
114 H ARG 14 HN ARG 14 0.453 4.400 -0.547
115 HA ARG 14 HA ARG 14 -0.502 2.538 1.467
116 HB2 ARG 14 HB2 ARG 14 -1.983 4.373 -0.425
117 HB3 ARG 14 HB1 ARG 14 -2.750 3.373 0.801
118 HG2 ARG 14 HG2 ARG 14 -2.616 5.247 2.028
119 HG3 ARG 14 HG1 ARG 14 -0.966 4.692 2.323
120 HD2 ARG 14 HD2 ARG 14 -1.347 6.267 -0.132
121 HD3 ARG 14 HD1 ARG 14 -1.612 7.146 1.372
122 HE ARG 14 HE ARG 14 0.786 5.707 1.578
123 HH11 ARG 14 HH11 ARG 14 -0.551 8.426 -0.154
124 HH12 ARG 14 HH12 ARG 14 0.975 9.224 -0.331
125 HH21 ARG 14 HH21 ARG 14 2.795 6.755 1.346
126 HH22 ARG 14 HH22 ARG 14 2.875 8.275 0.520
127 H ARG 15 HN ARG 15 -1.712 0.699 1.065
128 HA ARG 15 HA ARG 15 -1.387 -0.412 -1.627
129 HB2 ARG 15 HB2 ARG 15 -0.475 -1.719 0.244
130 HB3 ARG 15 HB1 ARG 15 -2.072 -1.786 0.978
131 HG2 ARG 15 HG2 ARG 15 -2.905 -3.060 -0.922
132 HG3 ARG 15 HG1 ARG 15 -1.315 -2.977 -1.682
133 HD2 ARG 15 HD2 ARG 15 -0.440 -4.558 -0.330
134 HD3 ARG 15 HD1 ARG 15 -1.356 -4.011 1.074
135 HE ARG 15 HE ARG 15 -3.054 -5.249 -0.833
136 HH11 ARG 15 HH11 ARG 15 -0.691 -5.960 1.634
137 HH12 ARG 15 HH12 ARG 15 -1.336 -7.531 1.975
138 HH21 ARG 15 HH21 ARG 15 -3.902 -7.315 -0.388
139 HH22 ARG 15 HH22 ARG 15 -3.157 -8.301 0.827
140 H CYS 16 HN CYS 16 -3.066 -0.226 -2.944
141 HA CYS 16 HA CYS 16 -5.755 -0.718 -1.872
142 HB2 CYS 16 HB2 CYS 16 -4.871 1.803 -2.619
143 HB3 CYS 16 HB1 CYS 16 -5.744 1.238 -4.040
144 H ARG 17 HN ARG 17 -5.711 -2.791 -2.766
145 HA ARG 17 HA ARG 17 -5.542 -2.937 -5.697
146 HB2 ARG 17 HB2 ARG 17 -5.306 -5.403 -5.325
147 HB3 ARG 17 HB1 ARG 17 -3.996 -4.440 -4.653
148 HG2 ARG 17 HG2 ARG 17 -4.535 -4.943 -2.510
149 HG3 ARG 17 HG1 ARG 17 -6.261 -5.071 -2.856
150 HD2 ARG 17 HD2 ARG 17 -5.889 -7.280 -2.633
151 HD3 ARG 17 HD1 ARG 17 -5.311 -7.153 -4.293
152 HE ARG 17 HE ARG 17 -3.107 -6.628 -2.790
153 HH11 ARG 17 HH11 ARG 17 -5.408 -9.248 -2.888
154 HH12 ARG 17 HH12 ARG 17 -4.263 -10.439 -2.370
155 HH21 ARG 17 HH21 ARG 17 -1.599 -8.192 -2.108
156 HH22 ARG 17 HH22 ARG 17 -2.100 -9.839 -1.927
157 HN1 NH2 18 HN1 NH2 18 -7.597 -3.586 -2.949
158 HN2 NH2 18 HN2 NH2 18 -9.007 -4.015 -3.850
Start of MODEL 14
1 H1 LYS 1 HT1 LYS 1 -14.260 -2.106 -1.495
2 H2 LYS 1 HT2 LYS 1 -13.348 -3.258 -0.609
3 H3 LYS 1 HT3 LYS 1 -12.556 -2.171 -1.675
4 HA LYS 1 HA LYS 1 -12.962 -0.362 -0.334
5 HB2 LYS 1 HB2 LYS 1 -15.298 -0.922 0.155
6 HB3 LYS 1 HB1 LYS 1 -14.778 -2.212 1.230
7 HG2 LYS 1 HG2 LYS 1 -13.804 -0.614 2.748
8 HG3 LYS 1 HG1 LYS 1 -14.175 0.709 1.642
9 HD2 LYS 1 HD2 LYS 1 -16.351 0.773 2.244
10 HD3 LYS 1 HD1 LYS 1 -16.463 -0.981 2.406
11 HE2 LYS 1 HE2 LYS 1 -16.768 0.091 4.564
12 HE3 LYS 1 HE1 LYS 1 -15.274 -0.846 4.548
13 HZ1 LYS 1 HZ1 LYS 1 -14.349 1.515 3.794
14 HZ2 LYS 1 HZ2 LYS 1 -14.461 1.053 5.417
15 HZ3 LYS 1 HZ3 LYS 1 -15.659 2.032 4.734
16 H TRP 2 HN TRP 2 -10.704 -1.019 -0.216
17 HA TRP 2 HA TRP 2 -9.941 -1.627 2.492
18 HB2 TRP 2 HB2 TRP 2 -9.676 -3.631 0.321
19 HB3 TRP 2 HB1 TRP 2 -8.277 -3.426 1.371
20 HD1 TRP 2 HD1 TRP 2 -11.180 -5.525 1.118
21 HE1 TRP 2 HE1 TRP 2 -11.850 -6.532 3.389
22 HE3 TRP 2 HE3 TRP 2 -8.471 -2.469 4.194
23 HZ2 TRP 2 HZ2 TRP 2 -11.304 -6.090 6.123
24 HZ3 TRP 2 HZ3 TRP 2 -8.601 -2.827 6.624
25 HH2 TRP 2 HH2 TRP 2 -9.988 -4.601 7.567
26 H CYS 3 HN CYS 3 -8.125 -0.565 3.013
27 HA CYS 3 HA CYS 3 -6.703 0.819 0.867
28 HB2 CYS 3 HB2 CYS 3 -7.628 1.717 3.279
29 HB3 CYS 3 HB1 CYS 3 -5.937 1.402 3.648
30 H PHE 4 HN PHE 4 -5.059 -0.310 0.045
31 HA PHE 4 HA PHE 4 -3.470 -2.045 1.769
32 HB2 PHE 4 HB2 PHE 4 -3.949 -1.815 -1.144
33 HB3 PHE 4 HB1 PHE 4 -2.337 -2.335 -0.667
34 HD1 PHE 4 HD2 PHE 4 -5.851 -3.052 0.382
35 HD2 PHE 4 HD1 PHE 4 -2.024 -4.598 -0.654
36 HE1 PHE 4 HE2 PHE 4 -6.692 -5.341 0.708
37 HE2 PHE 4 HE1 PHE 4 -2.857 -6.890 -0.331
38 HZ PHE 4 HZ PHE 4 -5.194 -7.263 0.352
39 H ARG 5 HN ARG 5 -2.070 -0.846 2.941
40 HA ARG 5 HA ARG 5 -0.364 1.070 1.497
41 HB2 ARG 5 HB2 ARG 5 0.058 2.133 3.650
42 HB3 ARG 5 HB1 ARG 5 -1.670 2.047 3.338
43 HG2 ARG 5 HG2 ARG 5 -1.732 -0.008 4.773
44 HG3 ARG 5 HG1 ARG 5 -0.057 0.337 5.211
45 HD2 ARG 5 HD2 ARG 5 -1.091 2.727 5.728
46 HD3 ARG 5 HD1 ARG 5 -2.553 1.767 5.946
47 HE ARG 5 HE ARG 5 -0.351 1.929 7.726
48 HH11 ARG 5 HH11 ARG 5 -2.729 -0.301 6.482
49 HH12 ARG 5 HH12 ARG 5 -2.706 -1.307 7.891
50 HH21 ARG 5 HH21 ARG 5 -0.321 0.609 9.581
51 HH22 ARG 5 HH22 ARG 5 -1.340 -0.790 9.651
52 H VAL 6 HN VAL 6 1.619 0.391 1.059
53 HA VAL 6 HA VAL 6 3.095 -1.154 3.040
54 HB VAL 6 HB VAL 6 2.048 -2.868 1.629
55 HG11 VAL 6 HG11 VAL 6 2.389 -3.041 -0.696
56 HG12 VAL 6 HG12 VAL 6 3.631 -1.787 -0.687
57 HG13 VAL 6 HG13 VAL 6 1.944 -1.359 -0.407
58 HG21 VAL 6 HG21 VAL 6 4.941 -2.813 0.862
59 HG22 VAL 6 HG22 VAL 6 3.944 -4.179 1.362
60 HG23 VAL 6 HG23 VAL 6 4.462 -2.982 2.550
61 H CYS 7 HN CYS 7 5.159 -0.520 3.157
62 HA CYS 7 HA CYS 7 6.482 0.626 0.831
63 HB2 CYS 7 HB2 CYS 7 5.896 2.141 3.363
64 HB3 CYS 7 HB1 CYS 7 7.284 2.550 2.362
65 H TYR 8 HN TYR 8 8.413 -0.282 0.688
66 HA TYR 8 HA TYR 8 9.847 -0.951 3.171
67 HB2 TYR 8 HB2 TYR 8 9.385 -2.639 0.730
68 HB3 TYR 8 HB1 TYR 8 10.815 -2.891 1.725
69 HD1 TYR 8 HD1 TYR 8 7.133 -2.429 2.226
70 HD2 TYR 8 HD2 TYR 8 10.661 -4.543 3.318
71 HE1 TYR 8 HE1 TYR 8 5.813 -3.829 3.757
72 HE2 TYR 8 HE2 TYR 8 9.351 -5.950 4.851
73 HH TYR 8 HH TYR 8 7.251 -5.880 6.074
74 H ARG 9 HN ARG 9 12.243 -1.500 2.573
75 HA ARG 9 HA ARG 9 13.471 0.834 1.700
76 HB2 ARG 9 HB2 ARG 9 14.289 -1.669 2.720
77 HB3 ARG 9 HB1 ARG 9 15.209 -1.411 1.244
78 HG2 ARG 9 HG2 ARG 9 16.441 0.224 2.149
79 HG3 ARG 9 HG1 ARG 9 15.068 0.923 3.009
80 HD2 ARG 9 HD2 ARG 9 16.120 0.141 4.836
81 HD3 ARG 9 HD1 ARG 9 15.388 -1.393 4.369
82 HE ARG 9 HE ARG 9 17.744 -1.354 3.014
83 HH11 ARG 9 HH11 ARG 9 16.869 -0.976 6.371
84 HH12 ARG 9 HH12 ARG 9 18.357 -1.636 6.962
85 HH21 ARG 9 HH21 ARG 9 19.702 -2.223 3.790
86 HH22 ARG 9 HH22 ARG 9 19.966 -2.344 5.498
87 H GLY 10 HN GLY 10 12.330 -1.902 -0.116
88 HA2 GLY 10 HA2 GLY 10 13.842 -1.329 -2.488
89 HA3 GLY 10 HA1 GLY 10 12.495 -2.449 -2.355
90 H ILE 11 HN ILE 11 10.497 -0.731 -1.463
91 HA ILE 11 HA ILE 11 10.342 1.532 -3.253
92 HB ILE 11 HB ILE 11 8.319 0.787 -4.414
93 HG12 ILE 11 HG12 ILE 11 7.620 -0.866 -2.661
94 HG13 ILE 11 HG11 ILE 11 7.528 -1.481 -4.306
95 HG21 ILE 11 HG21 ILE 11 10.563 0.485 -5.417
96 HG22 ILE 11 HG22 ILE 11 9.374 -0.681 -5.998
97 HG23 ILE 11 HG23 ILE 11 10.577 -1.169 -4.804
98 HD11 ILE 11 HD11 ILE 11 9.020 -2.468 -2.055
99 HD12 ILE 11 HD12 ILE 11 10.075 -2.168 -3.436
100 HD13 ILE 11 HD13 ILE 11 8.681 -3.234 -3.607
101 H CYS 12 HN CYS 12 8.028 2.494 -3.126
102 HA CYS 12 HA CYS 12 6.631 1.943 -0.652
103 HB2 CYS 12 HB2 CYS 12 8.413 3.410 0.138
104 HB3 CYS 12 HB1 CYS 12 8.017 4.595 -1.101
105 H TYR 13 HN TYR 13 4.539 2.096 -1.080
106 HA TYR 13 HA TYR 13 3.447 4.304 -2.557
107 HB2 TYR 13 HB2 TYR 13 2.370 2.936 -4.305
108 HB3 TYR 13 HB1 TYR 13 4.127 2.887 -4.422
109 HD1 TYR 13 HD2 TYR 13 5.338 0.856 -3.510
110 HD2 TYR 13 HD1 TYR 13 1.121 0.958 -4.067
111 HE1 TYR 13 HE2 TYR 13 5.277 -1.602 -3.454
112 HE2 TYR 13 HE1 TYR 13 1.048 -1.499 -4.012
113 HH TYR 13 HH TYR 13 3.189 -3.417 -4.593
114 H ARG 14 HN ARG 14 1.121 4.366 -2.491
115 HA ARG 14 HA ARG 14 -0.156 2.415 -0.723
116 HB2 ARG 14 HB2 ARG 14 -1.261 4.329 0.502
117 HB3 ARG 14 HB1 ARG 14 0.451 4.104 0.833
118 HG2 ARG 14 HG2 ARG 14 1.055 5.978 -0.450
119 HG3 ARG 14 HG1 ARG 14 -0.536 6.069 -1.207
120 HD2 ARG 14 HD2 ARG 14 -0.210 6.375 1.756
121 HD3 ARG 14 HD1 ARG 14 0.040 7.741 0.671
122 HE ARG 14 HE ARG 14 -2.416 6.572 0.042
123 HH11 ARG 14 HH11 ARG 14 -0.925 8.312 2.673
124 HH12 ARG 14 HH12 ARG 14 -2.415 9.004 3.224
125 HH21 ARG 14 HH21 ARG 14 -4.376 7.479 0.766
126 HH22 ARG 14 HH22 ARG 14 -4.373 8.530 2.142
127 H ARG 15 HN ARG 15 -2.033 1.772 -1.540
128 HA ARG 15 HA ARG 15 -3.517 3.615 -3.291
129 HB2 ARG 15 HB2 ARG 15 -4.132 1.728 -4.722
130 HB3 ARG 15 HB1 ARG 15 -2.387 1.932 -4.665
131 HG2 ARG 15 HG2 ARG 15 -2.239 0.104 -3.034
132 HG3 ARG 15 HG1 ARG 15 -3.987 -0.114 -3.140
133 HD2 ARG 15 HD2 ARG 15 -3.313 -0.217 -5.755
134 HD3 ARG 15 HD1 ARG 15 -1.857 -0.890 -5.022
135 HE ARG 15 HE ARG 15 -4.430 -2.132 -5.205
136 HH11 ARG 15 HH11 ARG 15 -1.493 -1.976 -3.328
137 HH12 ARG 15 HH12 ARG 15 -1.675 -3.571 -2.678
138 HH21 ARG 15 HH21 ARG 15 -4.672 -4.229 -4.352
139 HH22 ARG 15 HH22 ARG 15 -3.480 -4.851 -3.261
140 H CYS 16 HN CYS 16 -5.540 3.954 -2.663
141 HA CYS 16 HA CYS 16 -6.738 2.072 -0.746
142 HB2 CYS 16 HB2 CYS 16 -6.367 4.764 -0.473
143 HB3 CYS 16 HB1 CYS 16 -8.015 4.704 -1.088
144 H ARG 17 HN ARG 17 -8.371 0.855 -1.415
145 HA ARG 17 HA ARG 17 -9.777 1.625 -3.878
146 HB2 ARG 17 HB2 ARG 17 -8.511 -0.685 -3.415
147 HB3 ARG 17 HB1 ARG 17 -10.077 -1.103 -2.733
148 HG2 ARG 17 HG2 ARG 17 -10.536 -1.740 -4.832
149 HG3 ARG 17 HG1 ARG 17 -10.847 -0.022 -5.081
150 HD2 ARG 17 HD2 ARG 17 -9.368 -0.235 -6.759
151 HD3 ARG 17 HD1 ARG 17 -8.168 -0.122 -5.474
152 HE ARG 17 HE ARG 17 -8.749 -2.779 -5.616
153 HH11 ARG 17 HH11 ARG 17 -7.670 -0.387 -7.915
154 HH12 ARG 17 HH12 ARG 17 -6.798 -1.528 -8.882
155 HH21 ARG 17 HH21 ARG 17 -7.603 -4.282 -6.887
156 HH22 ARG 17 HH22 ARG 17 -6.760 -3.740 -8.299
157 HN1 NH2 18 HN1 NH2 18 -12.088 1.108 -3.993
158 HN2 NH2 18 HN2 NH2 18 -13.057 1.274 -2.573
Start of MODEL 15
1 H1 LYS 1 HT1 LYS 1 -11.047 -4.036 5.822
2 H2 LYS 1 HT2 LYS 1 -10.360 -5.543 5.374
3 H3 LYS 1 HT3 LYS 1 -11.651 -4.880 4.458
4 HA LYS 1 HA LYS 1 -8.968 -3.707 4.758
5 HB2 LYS 1 HB2 LYS 1 -9.545 -5.933 3.374
6 HB3 LYS 1 HB1 LYS 1 -10.031 -4.739 2.180
7 HG2 LYS 1 HG2 LYS 1 -7.820 -3.754 2.217
8 HG3 LYS 1 HG1 LYS 1 -7.322 -4.874 3.487
9 HD2 LYS 1 HD2 LYS 1 -7.715 -6.758 1.960
10 HD3 LYS 1 HD1 LYS 1 -8.179 -5.622 0.690
11 HE2 LYS 1 HE2 LYS 1 -5.827 -4.574 1.228
12 HE3 LYS 1 HE1 LYS 1 -5.493 -6.189 1.851
13 HZ1 LYS 1 HZ1 LYS 1 -6.577 -6.792 -0.494
14 HZ2 LYS 1 HZ2 LYS 1 -4.917 -6.549 -0.282
15 HZ3 LYS 1 HZ3 LYS 1 -5.883 -5.300 -0.888
16 H TRP 2 HN TRP 2 -8.611 -1.884 3.393
17 HA TRP 2 HA TRP 2 -10.978 -0.633 2.218
18 HB2 TRP 2 HB2 TRP 2 -10.828 0.218 4.533
19 HB3 TRP 2 HB1 TRP 2 -9.188 0.770 4.214
20 HD1 TRP 2 HD1 TRP 2 -12.166 1.268 1.812
21 HE1 TRP 2 HE1 TRP 2 -12.537 3.796 1.506
22 HE3 TRP 2 HE3 TRP 2 -8.756 3.006 5.202
23 HZ2 TRP 2 HZ2 TRP 2 -11.519 6.208 2.561
24 HZ3 TRP 2 HZ3 TRP 2 -8.517 5.437 5.493
25 HH2 TRP 2 HH2 TRP 2 -9.870 7.004 4.198
26 H CYS 3 HN CYS 3 -7.638 0.349 2.995
27 HA CYS 3 HA CYS 3 -7.275 1.007 0.149
28 HB2 CYS 3 HB2 CYS 3 -7.093 2.940 1.644
29 HB3 CYS 3 HB1 CYS 3 -5.845 2.116 2.574
30 H PHE 4 HN PHE 4 -5.188 0.606 -0.801
31 HA PHE 4 HA PHE 4 -4.034 -1.882 0.174
32 HB2 PHE 4 HB2 PHE 4 -4.696 -1.490 -2.250
33 HB3 PHE 4 HB1 PHE 4 -3.310 -0.411 -2.360
34 HD1 PHE 4 HD1 PHE 4 -3.848 -3.771 -0.824
35 HD2 PHE 4 HD2 PHE 4 -1.611 -1.384 -3.547
36 HE1 PHE 4 HE1 PHE 4 -2.394 -5.695 -1.311
37 HE2 PHE 4 HE2 PHE 4 -0.153 -3.304 -4.039
38 HZ PHE 4 HZ PHE 4 -0.545 -5.463 -2.920
39 H ARG 5 HN ARG 5 -2.916 -1.039 1.998
40 HA ARG 5 HA ARG 5 -0.755 0.850 1.501
41 HB2 ARG 5 HB2 ARG 5 -1.464 -0.489 4.110
42 HB3 ARG 5 HB1 ARG 5 -0.495 0.959 3.879
43 HG2 ARG 5 HG2 ARG 5 -2.288 2.289 3.791
44 HG3 ARG 5 HG1 ARG 5 -3.192 1.163 2.776
45 HD2 ARG 5 HD2 ARG 5 -2.857 1.070 5.769
46 HD3 ARG 5 HD1 ARG 5 -4.339 1.385 4.868
47 HE ARG 5 HE ARG 5 -3.610 -1.069 4.006
48 HH11 ARG 5 HH11 ARG 5 -4.041 0.303 7.185
49 HH12 ARG 5 HH12 ARG 5 -4.516 -1.198 7.905
50 HH21 ARG 5 HH21 ARG 5 -4.235 -3.044 4.951
51 HH22 ARG 5 HH22 ARG 5 -4.625 -3.100 6.637
52 H VAL 6 HN VAL 6 1.029 0.006 0.636
53 HA VAL 6 HA VAL 6 2.313 -2.227 1.997
54 HB VAL 6 HB VAL 6 2.874 -3.263 -0.258
55 HG11 VAL 6 HG11 VAL 6 0.612 -4.413 -0.391
56 HG12 VAL 6 HG12 VAL 6 0.106 -3.338 0.911
57 HG13 VAL 6 HG13 VAL 6 1.438 -4.465 1.167
58 HG21 VAL 6 HG21 VAL 6 0.412 -1.796 -1.180
59 HG22 VAL 6 HG22 VAL 6 1.491 -2.816 -2.131
60 HG23 VAL 6 HG23 VAL 6 2.049 -1.252 -1.541
61 H CYS 7 HN CYS 7 4.406 -1.816 2.270
62 HA CYS 7 HA CYS 7 5.763 -0.044 0.355
63 HB2 CYS 7 HB2 CYS 7 5.249 1.299 2.309
64 HB3 CYS 7 HB1 CYS 7 5.942 0.080 3.371
65 H TYR 8 HN TYR 8 7.901 -0.500 -0.070
66 HA TYR 8 HA TYR 8 8.899 -3.035 1.048
67 HB2 TYR 8 HB2 TYR 8 8.451 -2.350 -1.612
68 HB3 TYR 8 HB1 TYR 8 10.192 -2.182 -1.417
69 HD1 TYR 8 HD1 TYR 8 7.366 -4.525 -1.316
70 HD2 TYR 8 HD2 TYR 8 11.589 -4.110 -1.013
71 HE1 TYR 8 HE1 TYR 8 7.615 -6.962 -1.530
72 HE2 TYR 8 HE2 TYR 8 11.850 -6.546 -1.227
73 HH TYR 8 HH TYR 8 10.252 -8.474 -2.375
74 H ARG 9 HN ARG 9 11.259 -3.230 1.210
75 HA ARG 9 HA ARG 9 12.434 -1.319 2.781
76 HB2 ARG 9 HB2 ARG 9 14.642 -2.359 2.034
77 HB3 ARG 9 HB1 ARG 9 13.448 -3.440 2.740
78 HG2 ARG 9 HG2 ARG 9 13.163 -3.246 -0.135
79 HG3 ARG 9 HG1 ARG 9 14.776 -3.782 0.341
80 HD2 ARG 9 HD2 ARG 9 12.132 -5.023 1.078
81 HD3 ARG 9 HD1 ARG 9 13.403 -5.720 0.074
82 HE ARG 9 HE ARG 9 13.260 -5.736 2.929
83 HH11 ARG 9 HH11 ARG 9 15.460 -5.738 0.219
84 HH12 ARG 9 HH12 ARG 9 16.740 -6.503 1.100
85 HH21 ARG 9 HH21 ARG 9 14.942 -6.741 4.088
86 HH22 ARG 9 HH22 ARG 9 16.447 -7.073 3.295
87 H GLY 10 HN GLY 10 12.230 -1.386 -0.696
88 HA2 GLY 10 HA2 GLY 10 14.247 0.628 -1.106
89 HA3 GLY 10 HA1 GLY 10 13.142 -0.006 -2.317
90 H ILE 11 HN ILE 11 10.692 0.586 -1.352
91 HA ILE 11 HA ILE 11 10.539 3.308 -0.433
92 HB ILE 11 HB ILE 11 9.213 4.039 -2.482
93 HG12 ILE 11 HG12 ILE 11 10.831 2.188 -4.131
94 HG13 ILE 11 HG11 ILE 11 9.467 1.465 -3.283
95 HG21 ILE 11 HG21 ILE 11 11.584 4.707 -1.817
96 HG22 ILE 11 HG22 ILE 11 11.109 4.968 -3.496
97 HG23 ILE 11 HG23 ILE 11 12.121 3.588 -3.070
98 HD11 ILE 11 HD11 ILE 11 8.743 2.094 -5.458
99 HD12 ILE 11 HD12 ILE 11 9.397 3.721 -5.266
100 HD13 ILE 11 HD13 ILE 11 8.011 3.208 -4.304
101 H CYS 12 HN CYS 12 8.103 4.071 -0.824
102 HA CYS 12 HA CYS 12 6.405 1.794 -0.038
103 HB2 CYS 12 HB2 CYS 12 6.120 4.697 0.761
104 HB3 CYS 12 HB1 CYS 12 5.078 3.378 1.279
105 H TYR 13 HN TYR 13 4.147 1.910 -0.641
106 HA TYR 13 HA TYR 13 3.315 3.810 -2.634
107 HB2 TYR 13 HB2 TYR 13 2.829 1.998 -4.337
108 HB3 TYR 13 HB1 TYR 13 4.527 2.417 -4.135
109 HD1 TYR 13 HD2 TYR 13 5.857 0.926 -2.437
110 HD2 TYR 13 HD1 TYR 13 2.208 -0.233 -4.291
111 HE1 TYR 13 HE2 TYR 13 6.393 -1.435 -2.003
112 HE2 TYR 13 HE1 TYR 13 2.733 -2.597 -3.862
113 HH TYR 13 HH TYR 13 4.110 -3.930 -2.337
114 H ARG 14 HN ARG 14 1.210 4.153 -2.374
115 HA ARG 14 HA ARG 14 -0.424 2.001 -1.197
116 HB2 ARG 14 HB2 ARG 14 -1.812 3.915 -0.240
117 HB3 ARG 14 HB1 ARG 14 -0.243 3.627 0.499
118 HG2 ARG 14 HG2 ARG 14 0.707 5.516 -0.525
119 HG3 ARG 14 HG1 ARG 14 -0.637 5.676 -1.657
120 HD2 ARG 14 HD2 ARG 14 -0.989 7.356 -0.057
121 HD3 ARG 14 HD1 ARG 14 -2.103 6.064 0.385
122 HE ARG 14 HE ARG 14 0.127 5.549 1.858
123 HH11 ARG 14 HH11 ARG 14 -1.956 8.322 1.476
124 HH12 ARG 14 HH12 ARG 14 -1.690 8.900 3.087
125 HH21 ARG 14 HH21 ARG 14 0.478 6.307 3.977
126 HH22 ARG 14 HH22 ARG 14 -0.308 7.756 4.506
127 H ARG 15 HN ARG 15 -2.790 2.262 -1.651
128 HA ARG 15 HA ARG 15 -3.546 3.780 -3.974
129 HB2 ARG 15 HB2 ARG 15 -2.423 1.866 -5.027
130 HB3 ARG 15 HB1 ARG 15 -3.466 0.761 -4.142
131 HG2 ARG 15 HG2 ARG 15 -5.320 2.287 -5.362
132 HG3 ARG 15 HG1 ARG 15 -4.011 2.368 -6.543
133 HD2 ARG 15 HD2 ARG 15 -5.096 0.481 -7.257
134 HD3 ARG 15 HD1 ARG 15 -3.925 -0.226 -6.145
135 HE ARG 15 HE ARG 15 -6.438 0.428 -4.912
136 HH11 ARG 15 HH11 ARG 15 -4.673 -1.996 -6.700
137 HH12 ARG 15 HH12 ARG 15 -5.651 -3.307 -6.130
138 HH21 ARG 15 HH21 ARG 15 -7.723 -1.295 -4.161
139 HH22 ARG 15 HH22 ARG 15 -7.383 -2.909 -4.690
140 H CYS 16 HN CYS 16 -5.121 4.622 -2.598
141 HA CYS 16 HA CYS 16 -7.073 2.783 -1.445
142 HB2 CYS 16 HB2 CYS 16 -7.119 5.791 -1.246
143 HB3 CYS 16 HB1 CYS 16 -7.876 4.618 -0.174
144 H ARG 17 HN ARG 17 -7.922 2.083 -3.499
145 HA ARG 17 HA ARG 17 -10.121 3.751 -4.364
146 HB2 ARG 17 HB2 ARG 17 -7.858 4.103 -5.773
147 HB3 ARG 17 HB1 ARG 17 -8.509 2.709 -6.625
148 HG2 ARG 17 HG2 ARG 17 -10.475 3.878 -7.227
149 HG3 ARG 17 HG1 ARG 17 -10.103 5.207 -6.125
150 HD2 ARG 17 HD2 ARG 17 -8.587 6.135 -7.540
151 HD3 ARG 17 HD1 ARG 17 -8.090 4.579 -8.203
152 HE ARG 17 HE ARG 17 -10.751 5.301 -8.963
153 HH11 ARG 17 HH11 ARG 17 -7.376 5.776 -9.712
154 HH12 ARG 17 HH12 ARG 17 -7.671 6.175 -11.371
155 HH21 ARG 17 HH21 ARG 17 -11.142 5.826 -11.144
156 HH22 ARG 17 HH22 ARG 17 -9.809 6.205 -12.184
157 HN1 NH2 18 HN1 NH2 18 -8.357 0.944 -5.668
158 HN2 NH2 18 HN2 NH2 18 -9.703 -0.140 -5.620
Start of MODEL 16
1 H1 LYS 1 HT1 LYS 1 -13.648 -4.341 2.834
2 H2 LYS 1 HT2 LYS 1 -14.480 -2.844 2.945
3 H3 LYS 1 HT3 LYS 1 -13.090 -3.128 3.909
4 HA LYS 1 HA LYS 1 -13.054 -3.128 0.973
5 HB2 LYS 1 HB2 LYS 1 -13.740 -0.964 2.429
6 HB3 LYS 1 HB1 LYS 1 -11.989 -0.834 2.523
7 HG2 LYS 1 HG2 LYS 1 -11.771 -0.310 0.336
8 HG3 LYS 1 HG1 LYS 1 -13.131 -1.321 -0.156
9 HD2 LYS 1 HD2 LYS 1 -14.705 0.324 0.606
10 HD3 LYS 1 HD1 LYS 1 -13.415 1.294 1.318
11 HE2 LYS 1 HE2 LYS 1 -14.045 2.307 -0.754
12 HE3 LYS 1 HE1 LYS 1 -12.458 1.571 -0.967
13 HZ1 LYS 1 HZ1 LYS 1 -13.816 -0.427 -1.829
14 HZ2 LYS 1 HZ2 LYS 1 -13.585 0.905 -2.846
15 HZ3 LYS 1 HZ3 LYS 1 -15.058 0.703 -2.041
16 H TRP 2 HN TRP 2 -10.808 -2.590 0.245
17 HA TRP 2 HA TRP 2 -8.730 -3.386 2.143
18 HB2 TRP 2 HB2 TRP 2 -7.752 -4.916 0.408
19 HB3 TRP 2 HB1 TRP 2 -9.276 -5.473 1.091
20 HD1 TRP 2 HD1 TRP 2 -11.464 -4.307 -0.599
21 HE1 TRP 2 HE1 TRP 2 -11.661 -4.713 -3.132
22 HE3 TRP 2 HE3 TRP 2 -6.616 -5.588 -1.597
23 HZ2 TRP 2 HZ2 TRP 2 -9.984 -5.476 -5.271
24 HZ3 TRP 2 HZ3 TRP 2 -5.996 -6.142 -3.912
25 HH2 TRP 2 HH2 TRP 2 -7.646 -6.088 -5.710
26 H CYS 3 HN CYS 3 -7.320 -1.773 2.117
27 HA CYS 3 HA CYS 3 -6.701 -0.486 -0.462
28 HB2 CYS 3 HB2 CYS 3 -6.462 0.730 2.297
29 HB3 CYS 3 HB1 CYS 3 -6.181 1.546 0.763
30 H PHE 4 HN PHE 4 -4.608 -0.318 -1.094
31 HA PHE 4 HA PHE 4 -2.676 -1.941 0.303
32 HB2 PHE 4 HB2 PHE 4 -2.175 -0.243 -2.142
33 HB3 PHE 4 HB1 PHE 4 -1.286 -1.667 -1.614
34 HD1 PHE 4 HD1 PHE 4 -3.028 -3.764 -1.234
35 HD2 PHE 4 HD2 PHE 4 -3.437 -0.570 -4.015
36 HE1 PHE 4 HE1 PHE 4 -4.457 -5.184 -2.647
37 HE2 PHE 4 HE2 PHE 4 -4.868 -1.982 -5.434
38 HZ PHE 4 HZ PHE 4 -5.380 -4.292 -4.750
39 H ARG 5 HN ARG 5 -1.936 -1.010 2.136
40 HA ARG 5 HA ARG 5 -0.618 1.607 1.853
41 HB2 ARG 5 HB2 ARG 5 -2.848 1.374 3.280
42 HB3 ARG 5 HB1 ARG 5 -1.721 0.800 4.502
43 HG2 ARG 5 HG2 ARG 5 -1.390 2.924 5.042
44 HG3 ARG 5 HG1 ARG 5 -0.528 3.096 3.512
45 HD2 ARG 5 HD2 ARG 5 -3.041 3.375 2.632
46 HD3 ARG 5 HD1 ARG 5 -3.247 3.976 4.277
47 HE ARG 5 HE ARG 5 -1.986 5.324 2.129
48 HH11 ARG 5 HH11 ARG 5 -1.746 4.825 5.575
49 HH12 ARG 5 HH12 ARG 5 -0.962 6.340 5.866
50 HH21 ARG 5 HH21 ARG 5 -0.953 7.317 2.511
51 HH22 ARG 5 HH22 ARG 5 -0.512 7.756 4.127
52 H VAL 6 HN VAL 6 1.341 0.465 1.451
53 HA VAL 6 HA VAL 6 2.779 -0.159 3.861
54 HB VAL 6 HB VAL 6 1.727 -2.332 3.418
55 HG11 VAL 6 HG11 VAL 6 1.781 -1.806 0.841
56 HG12 VAL 6 HG12 VAL 6 1.822 -3.467 1.433
57 HG13 VAL 6 HG13 VAL 6 3.313 -2.675 0.923
58 HG21 VAL 6 HG21 VAL 6 3.866 -3.674 3.215
59 HG22 VAL 6 HG22 VAL 6 3.829 -2.457 4.491
60 HG23 VAL 6 HG23 VAL 6 4.699 -2.134 2.991
61 H CYS 7 HN CYS 7 4.946 0.171 3.636
62 HA CYS 7 HA CYS 7 6.063 0.415 0.943
63 HB2 CYS 7 HB2 CYS 7 6.095 2.585 3.041
64 HB3 CYS 7 HB1 CYS 7 7.192 2.564 1.665
65 H TYR 8 HN TYR 8 8.333 0.207 0.839
66 HA TYR 8 HA TYR 8 9.784 -0.379 3.289
67 HB2 TYR 8 HB2 TYR 8 8.842 -2.436 1.430
68 HB3 TYR 8 HB1 TYR 8 10.578 -2.503 1.715
69 HD1 TYR 8 HD1 TYR 8 7.307 -2.419 3.484
70 HD2 TYR 8 HD2 TYR 8 11.417 -3.502 3.654
71 HE1 TYR 8 HE1 TYR 8 6.905 -3.586 5.612
72 HE2 TYR 8 HE2 TYR 8 11.027 -4.673 5.781
73 HH TYR 8 HH TYR 8 9.468 -4.715 7.602
74 H ARG 9 HN ARG 9 12.136 -0.952 2.723
75 HA ARG 9 HA ARG 9 13.290 1.168 1.351
76 HB2 ARG 9 HB2 ARG 9 15.392 0.018 1.589
77 HB3 ARG 9 HB1 ARG 9 14.437 -0.254 3.039
78 HG2 ARG 9 HG2 ARG 9 14.404 -2.252 0.817
79 HG3 ARG 9 HG1 ARG 9 15.730 -2.222 1.979
80 HD2 ARG 9 HD2 ARG 9 13.803 -2.202 3.739
81 HD3 ARG 9 HD1 ARG 9 12.840 -2.843 2.409
82 HE ARG 9 HE ARG 9 14.773 -4.251 3.944
83 HH11 ARG 9 HH11 ARG 9 13.436 -3.995 0.730
84 HH12 ARG 9 HH12 ARG 9 13.812 -5.632 0.308
85 HH21 ARG 9 HH21 ARG 9 15.267 -6.405 3.390
86 HH22 ARG 9 HH22 ARG 9 14.851 -7.000 1.818
87 H GLY 10 HN GLY 10 12.091 -1.855 0.149
88 HA2 GLY 10 HA2 GLY 10 13.527 -1.725 -2.349
89 HA3 GLY 10 HA1 GLY 10 12.256 -2.863 -1.933
90 H ILE 11 HN ILE 11 10.204 -1.074 -1.289
91 HA ILE 11 HA ILE 11 9.840 0.791 -3.448
92 HB ILE 11 HB ILE 11 9.358 -1.321 -4.605
93 HG12 ILE 11 HG12 ILE 11 6.789 0.194 -4.115
94 HG13 ILE 11 HG11 ILE 11 8.110 0.825 -5.096
95 HG21 ILE 11 HG21 ILE 11 7.167 -1.659 -2.561
96 HG22 ILE 11 HG22 ILE 11 8.637 -2.627 -2.669
97 HG23 ILE 11 HG23 ILE 11 7.445 -2.689 -3.966
98 HD11 ILE 11 HD11 ILE 11 6.348 -0.180 -6.452
99 HD12 ILE 11 HD12 ILE 11 6.601 -1.722 -5.635
100 HD13 ILE 11 HD13 ILE 11 7.881 -1.032 -6.634
101 H CYS 12 HN CYS 12 7.804 1.952 -3.301
102 HA CYS 12 HA CYS 12 6.380 1.620 -0.757
103 HB2 CYS 12 HB2 CYS 12 8.050 3.350 -0.363
104 HB3 CYS 12 HB1 CYS 12 7.524 4.221 -1.799
105 H TYR 13 HN TYR 13 4.256 1.565 -1.070
106 HA TYR 13 HA TYR 13 3.051 3.203 -3.165
107 HB2 TYR 13 HB2 TYR 13 1.625 1.161 -3.803
108 HB3 TYR 13 HB1 TYR 13 3.276 1.224 -4.410
109 HD1 TYR 13 HD2 TYR 13 1.016 -0.402 -2.007
110 HD2 TYR 13 HD1 TYR 13 4.926 -0.366 -3.682
111 HE1 TYR 13 HE2 TYR 13 1.455 -2.608 -1.014
112 HE2 TYR 13 HE1 TYR 13 5.376 -2.573 -2.694
113 HH TYR 13 HH TYR 13 4.563 -3.960 -0.839
114 H ARG 14 HN ARG 14 1.206 4.116 -2.513
115 HA ARG 14 HA ARG 14 -0.282 2.888 -0.299
116 HB2 ARG 14 HB2 ARG 14 -0.606 5.145 0.694
117 HB3 ARG 14 HB1 ARG 14 1.064 4.596 0.737
118 HG2 ARG 14 HG2 ARG 14 0.885 5.979 -1.650
119 HG3 ARG 14 HG1 ARG 14 -0.094 6.928 -0.531
120 HD2 ARG 14 HD2 ARG 14 2.488 5.980 0.522
121 HD3 ARG 14 HD1 ARG 14 2.588 7.163 -0.782
122 HE ARG 14 HE ARG 14 0.730 8.064 1.115
123 HH11 ARG 14 HH11 ARG 14 4.164 7.532 0.789
124 HH12 ARG 14 HH12 ARG 14 4.591 8.771 1.921
125 HH21 ARG 14 HH21 ARG 14 1.290 9.695 2.604
126 HH22 ARG 14 HH22 ARG 14 2.959 9.999 2.953
127 H ARG 15 HN ARG 15 -2.209 2.422 -1.128
128 HA ARG 15 HA ARG 15 -3.682 4.533 -2.516
129 HB2 ARG 15 HB2 ARG 15 -2.974 1.853 -3.625
130 HB3 ARG 15 HB1 ARG 15 -4.544 2.536 -4.021
131 HG2 ARG 15 HG2 ARG 15 -2.935 4.649 -4.533
132 HG3 ARG 15 HG1 ARG 15 -1.863 3.304 -4.933
133 HD2 ARG 15 HD2 ARG 15 -2.881 3.430 -6.939
134 HD3 ARG 15 HD1 ARG 15 -4.134 2.486 -6.135
135 HE ARG 15 HE ARG 15 -4.741 5.139 -5.666
136 HH11 ARG 15 HH11 ARG 15 -4.391 3.057 -8.445
137 HH12 ARG 15 HH12 ARG 15 -5.535 3.935 -9.402
138 HH21 ARG 15 HH21 ARG 15 -6.246 6.295 -6.924
139 HH22 ARG 15 HH22 ARG 15 -6.588 5.774 -8.540
140 H CYS 16 HN CYS 16 -5.906 4.452 -2.251
141 HA CYS 16 HA CYS 16 -7.129 2.211 -0.891
142 HB2 CYS 16 HB2 CYS 16 -6.147 3.569 0.951
143 HB3 CYS 16 HB1 CYS 16 -7.118 4.937 0.420
144 H ARG 17 HN ARG 17 -7.611 3.117 -3.420
145 HA ARG 17 HA ARG 17 -10.186 4.527 -3.181
146 HB2 ARG 17 HB2 ARG 17 -8.407 4.337 -5.617
147 HB3 ARG 17 HB1 ARG 17 -9.890 5.272 -5.476
148 HG2 ARG 17 HG2 ARG 17 -7.414 5.751 -3.834
149 HG3 ARG 17 HG1 ARG 17 -7.831 6.631 -5.305
150 HD2 ARG 17 HD2 ARG 17 -9.748 6.472 -3.007
151 HD3 ARG 17 HD1 ARG 17 -8.447 7.661 -3.017
152 HE ARG 17 HE ARG 17 -10.842 7.703 -4.596
153 HH11 ARG 17 HH11 ARG 17 -7.527 8.779 -4.419
154 HH12 ARG 17 HH12 ARG 17 -7.781 10.138 -5.460
155 HH21 ARG 17 HH21 ARG 17 -11.179 9.490 -5.967
156 HH22 ARG 17 HH22 ARG 17 -9.855 10.543 -6.339
157 HN1 NH2 18 HN1 NH2 18 -8.497 1.966 -4.960
158 HN2 NH2 18 HN2 NH2 18 -9.914 1.052 -5.340
Start of MODEL 17
1 H1 LYS 1 HT1 LYS 1 -13.594 -0.965 4.666
2 H2 LYS 1 HT2 LYS 1 -14.080 0.609 4.184
3 H3 LYS 1 HT3 LYS 1 -12.553 0.371 4.932
4 HA LYS 1 HA LYS 1 -13.359 -0.796 2.355
5 HB2 LYS 1 HB2 LYS 1 -11.924 0.953 1.373
6 HB3 LYS 1 HB1 LYS 1 -13.301 1.638 2.224
7 HG2 LYS 1 HG2 LYS 1 -10.817 1.332 3.787
8 HG3 LYS 1 HG1 LYS 1 -10.802 2.540 2.501
9 HD2 LYS 1 HD2 LYS 1 -13.023 2.402 4.518
10 HD3 LYS 1 HD1 LYS 1 -11.535 3.297 4.834
11 HE2 LYS 1 HE2 LYS 1 -13.188 3.743 2.363
12 HE3 LYS 1 HE1 LYS 1 -13.498 4.604 3.869
13 HZ1 LYS 1 HZ1 LYS 1 -10.811 4.590 2.643
14 HZ2 LYS 1 HZ2 LYS 1 -11.458 5.685 3.758
15 HZ3 LYS 1 HZ3 LYS 1 -11.989 5.701 2.152
16 H TRP 2 HN TRP 2 -11.113 -0.993 1.109
17 HA TRP 2 HA TRP 2 -9.189 -2.265 2.944
18 HB2 TRP 2 HB2 TRP 2 -9.882 -3.272 0.179
19 HB3 TRP 2 HB1 TRP 2 -8.837 -4.050 1.363
20 HD1 TRP 2 HD1 TRP 2 -10.862 -3.678 3.875
21 HE1 TRP 2 HE1 TRP 2 -12.931 -5.204 3.999
22 HE3 TRP 2 HE3 TRP 2 -11.157 -5.053 -1.041
23 HZ2 TRP 2 HZ2 TRP 2 -14.484 -6.780 2.246
24 HZ3 TRP 2 HZ3 TRP 2 -12.964 -6.572 -1.735
25 HH2 TRP 2 HH2 TRP 2 -14.592 -7.417 -0.124
26 H CYS 3 HN CYS 3 -7.366 -1.139 2.911
27 HA CYS 3 HA CYS 3 -6.552 0.182 0.415
28 HB2 CYS 3 HB2 CYS 3 -5.666 0.681 3.265
29 HB3 CYS 3 HB1 CYS 3 -5.071 1.551 1.856
30 H PHE 4 HN PHE 4 -5.034 -0.785 -0.742
31 HA PHE 4 HA PHE 4 -3.367 -2.838 0.459
32 HB2 PHE 4 HB2 PHE 4 -3.454 -1.913 -2.418
33 HB3 PHE 4 HB1 PHE 4 -2.714 -3.389 -1.809
34 HD1 PHE 4 HD1 PHE 4 -4.253 -5.101 -0.692
35 HD2 PHE 4 HD2 PHE 4 -5.666 -1.906 -3.123
36 HE1 PHE 4 HE1 PHE 4 -6.369 -6.307 -1.042
37 HE2 PHE 4 HE2 PHE 4 -7.783 -3.106 -3.477
38 HZ PHE 4 HZ PHE 4 -8.138 -5.310 -2.436
39 H ARG 5 HN ARG 5 -2.492 -0.818 1.731
40 HA ARG 5 HA ARG 5 -0.495 0.711 0.316
41 HB2 ARG 5 HB2 ARG 5 -1.930 1.395 2.396
42 HB3 ARG 5 HB1 ARG 5 -0.668 0.572 3.304
43 HG2 ARG 5 HG2 ARG 5 0.755 2.188 1.595
44 HG3 ARG 5 HG1 ARG 5 -0.647 3.175 2.009
45 HD2 ARG 5 HD2 ARG 5 -0.071 2.326 4.446
46 HD3 ARG 5 HD1 ARG 5 1.535 2.138 3.744
47 HE ARG 5 HE ARG 5 0.334 4.707 3.254
48 HH11 ARG 5 HH11 ARG 5 2.264 2.816 5.463
49 HH12 ARG 5 HH12 ARG 5 3.016 4.198 6.185
50 HH21 ARG 5 HH21 ARG 5 1.322 6.526 4.204
51 HH22 ARG 5 HH22 ARG 5 2.480 6.305 5.472
52 H VAL 6 HN VAL 6 1.385 -0.162 -0.236
53 HA VAL 6 HA VAL 6 2.662 -2.041 1.641
54 HB VAL 6 HB VAL 6 1.936 -3.188 -0.405
55 HG11 VAL 6 HG11 VAL 6 2.616 -2.608 -2.557
56 HG12 VAL 6 HG12 VAL 6 3.908 -1.562 -1.969
57 HG13 VAL 6 HG13 VAL 6 2.225 -1.057 -1.813
58 HG21 VAL 6 HG21 VAL 6 4.525 -3.660 -1.142
59 HG22 VAL 6 HG22 VAL 6 3.703 -4.413 0.225
60 HG23 VAL 6 HG23 VAL 6 4.718 -2.993 0.479
61 H CYS 7 HN CYS 7 4.283 -1.018 2.616
62 HA CYS 7 HA CYS 7 6.038 0.691 0.976
63 HB2 CYS 7 HB2 CYS 7 4.616 1.888 2.713
64 HB3 CYS 7 HB1 CYS 7 5.568 1.053 3.936
65 H TYR 8 HN TYR 8 8.044 -0.033 0.796
66 HA TYR 8 HA TYR 8 9.190 -1.609 2.996
67 HB2 TYR 8 HB2 TYR 8 10.320 -3.035 1.245
68 HB3 TYR 8 HB1 TYR 8 8.581 -3.263 1.388
69 HD1 TYR 8 HD2 TYR 8 7.165 -1.686 -0.241
70 HD2 TYR 8 HD1 TYR 8 11.203 -2.862 -0.875
71 HE1 TYR 8 HE2 TYR 8 6.907 -1.251 -2.647
72 HE2 TYR 8 HE1 TYR 8 10.957 -2.430 -3.284
73 HH TYR 8 HH TYR 8 7.914 -1.875 -4.750
74 H ARG 9 HN ARG 9 11.573 -1.721 2.915
75 HA ARG 9 HA ARG 9 12.783 0.733 2.884
76 HB2 ARG 9 HB2 ARG 9 14.923 -0.437 2.873
77 HB3 ARG 9 HB1 ARG 9 13.771 -1.263 3.913
78 HG2 ARG 9 HG2 ARG 9 14.616 -3.060 2.825
79 HG3 ARG 9 HG1 ARG 9 13.329 -2.642 1.691
80 HD2 ARG 9 HD2 ARG 9 15.353 -1.078 0.787
81 HD3 ARG 9 HD1 ARG 9 16.249 -2.470 1.394
82 HE ARG 9 HE ARG 9 14.637 -2.365 -0.952
83 HH11 ARG 9 HH11 ARG 9 15.687 -4.480 1.618
84 HH12 ARG 9 HH12 ARG 9 15.491 -5.922 0.678
85 HH21 ARG 9 HH21 ARG 9 14.380 -4.260 -2.188
86 HH22 ARG 9 HH22 ARG 9 14.749 -5.798 -1.482
87 H GLY 10 HN GLY 10 12.191 -1.380 0.179
88 HA2 GLY 10 HA2 GLY 10 14.021 -0.095 -1.612
89 HA3 GLY 10 HA1 GLY 10 12.745 -1.218 -2.056
90 H ILE 11 HN ILE 11 10.467 -0.028 -1.338
91 HA ILE 11 HA ILE 11 10.444 2.740 -2.197
92 HB ILE 11 HB ILE 11 8.873 0.717 -3.791
93 HG12 ILE 11 HG12 ILE 11 11.440 2.154 -4.502
94 HG13 ILE 11 HG11 ILE 11 11.240 0.420 -4.279
95 HG21 ILE 11 HG21 ILE 11 8.609 2.696 -5.325
96 HG22 ILE 11 HG22 ILE 11 9.288 3.686 -4.034
97 HG23 ILE 11 HG23 ILE 11 7.775 2.818 -3.775
98 HD11 ILE 11 HD11 ILE 11 10.950 1.947 -6.641
99 HD12 ILE 11 HD12 ILE 11 9.377 1.260 -6.236
100 HD13 ILE 11 HD13 ILE 11 10.778 0.205 -6.425
101 H CYS 12 HN CYS 12 8.319 3.729 -1.991
102 HA CYS 12 HA CYS 12 6.611 2.279 -0.077
103 HB2 CYS 12 HB2 CYS 12 7.939 4.472 0.565
104 HB3 CYS 12 HB1 CYS 12 6.590 5.263 -0.243
105 H TYR 13 HN TYR 13 4.894 1.534 -1.155
106 HA TYR 13 HA TYR 13 3.610 3.297 -3.132
107 HB2 TYR 13 HB2 TYR 13 3.974 0.358 -2.952
108 HB3 TYR 13 HB1 TYR 13 2.438 0.921 -3.604
109 HD1 TYR 13 HD2 TYR 13 2.572 2.660 -5.527
110 HD2 TYR 13 HD1 TYR 13 5.824 0.184 -4.348
111 HE1 TYR 13 HE2 TYR 13 3.625 3.010 -7.721
112 HE2 TYR 13 HE1 TYR 13 6.887 0.527 -6.540
113 HH TYR 13 HH TYR 13 5.620 1.299 -9.097
114 H ARG 14 HN ARG 14 1.260 3.265 -3.231
115 HA ARG 14 HA ARG 14 -0.174 2.309 -0.902
116 HB2 ARG 14 HB2 ARG 14 -0.306 5.251 -1.541
117 HB3 ARG 14 HB1 ARG 14 -0.962 4.415 -0.140
118 HG2 ARG 14 HG2 ARG 14 1.299 3.965 0.658
119 HG3 ARG 14 HG1 ARG 14 1.962 4.797 -0.752
120 HD2 ARG 14 HD2 ARG 14 0.299 6.698 0.174
121 HD3 ARG 14 HD1 ARG 14 0.706 5.890 1.688
122 HE ARG 14 HE ARG 14 3.118 6.266 0.530
123 HH11 ARG 14 HH11 ARG 14 0.442 8.405 1.202
124 HH12 ARG 14 HH12 ARG 14 1.447 9.801 1.401
125 HH21 ARG 14 HH21 ARG 14 4.440 8.102 0.792
126 HH22 ARG 14 HH22 ARG 14 3.716 9.631 1.168
127 H ARG 15 HN ARG 15 -1.789 1.266 -1.872
128 HA ARG 15 HA ARG 15 -3.305 2.695 -3.954
129 HB2 ARG 15 HB2 ARG 15 -1.779 0.469 -4.437
130 HB3 ARG 15 HB1 ARG 15 -3.361 -0.236 -4.137
131 HG2 ARG 15 HG2 ARG 15 -3.633 0.113 -6.337
132 HG3 ARG 15 HG1 ARG 15 -4.051 1.746 -5.816
133 HD2 ARG 15 HD2 ARG 15 -2.496 2.160 -7.471
134 HD3 ARG 15 HD1 ARG 15 -1.495 2.178 -6.019
135 HE ARG 15 HE ARG 15 -0.431 0.290 -6.765
136 HH11 ARG 15 HH11 ARG 15 -3.337 0.773 -8.636
137 HH12 ARG 15 HH12 ARG 15 -2.953 -0.466 -9.784
138 HH21 ARG 15 HH21 ARG 15 0.075 -1.340 -8.273
139 HH22 ARG 15 HH22 ARG 15 -1.017 -1.666 -9.578
140 H CYS 16 HN CYS 16 -5.201 3.202 -3.081
141 HA CYS 16 HA CYS 16 -6.801 1.094 -1.865
142 HB2 CYS 16 HB2 CYS 16 -5.673 2.139 0.045
143 HB3 CYS 16 HB1 CYS 16 -6.248 3.721 -0.469
144 H ARG 17 HN ARG 17 -8.417 1.118 -3.316
145 HA ARG 17 HA ARG 17 -9.929 3.614 -3.597
146 HB2 ARG 17 HB2 ARG 17 -8.322 2.811 -5.612
147 HB3 ARG 17 HB1 ARG 17 -9.779 1.916 -6.019
148 HG2 ARG 17 HG2 ARG 17 -10.935 4.240 -5.665
149 HG3 ARG 17 HG1 ARG 17 -9.308 4.853 -5.970
150 HD2 ARG 17 HD2 ARG 17 -9.250 3.969 -8.127
151 HD3 ARG 17 HD1 ARG 17 -10.567 2.844 -7.801
152 HE ARG 17 HE ARG 17 -10.809 5.489 -8.778
153 HH11 ARG 17 HH11 ARG 17 -12.354 3.210 -6.632
154 HH12 ARG 17 HH12 ARG 17 -13.927 3.909 -6.821
155 HH21 ARG 17 HH21 ARG 17 -12.877 6.410 -9.025
156 HH22 ARG 17 HH22 ARG 17 -14.225 5.725 -8.178
157 HN1 NH2 18 HN1 NH2 18 -11.774 3.093 -2.603
158 HN2 NH2 18 HN2 NH2 18 -12.711 1.671 -2.897
Start of MODEL 18
1 H1 LYS 1 HT1 LYS 1 -13.935 -1.263 0.777
2 H2 LYS 1 HT2 LYS 1 -13.266 0.291 0.490
3 H3 LYS 1 HT3 LYS 1 -14.765 0.139 1.312
4 HA LYS 1 HA LYS 1 -12.753 0.625 2.681
5 HB2 LYS 1 HB2 LYS 1 -13.601 -0.791 4.473
6 HB3 LYS 1 HB1 LYS 1 -14.938 -0.142 3.532
7 HG2 LYS 1 HG2 LYS 1 -14.578 -2.462 2.242
8 HG3 LYS 1 HG1 LYS 1 -14.014 -2.924 3.849
9 HD2 LYS 1 HD2 LYS 1 -16.076 -2.727 4.777
10 HD3 LYS 1 HD1 LYS 1 -16.538 -1.388 3.723
11 HE2 LYS 1 HE2 LYS 1 -16.252 -4.205 2.715
12 HE3 LYS 1 HE1 LYS 1 -17.760 -3.601 3.400
13 HZ1 LYS 1 HZ1 LYS 1 -16.376 -2.723 0.942
14 HZ2 LYS 1 HZ2 LYS 1 -17.519 -1.736 1.703
15 HZ3 LYS 1 HZ3 LYS 1 -17.971 -3.259 1.123
16 H TRP 2 HN TRP 2 -11.653 -0.875 0.430
17 HA TRP 2 HA TRP 2 -10.052 -2.885 1.871
18 HB2 TRP 2 HB2 TRP 2 -10.957 -2.688 -0.980
19 HB3 TRP 2 HB1 TRP 2 -9.489 -3.577 -0.592
20 HD1 TRP 2 HD1 TRP 2 -12.442 -3.708 1.817
21 HE1 TRP 2 HE1 TRP 2 -13.423 -6.087 1.799
22 HE3 TRP 2 HE3 TRP 2 -9.775 -5.656 -2.084
23 HZ2 TRP 2 HZ2 TRP 2 -13.109 -8.474 0.325
24 HZ3 TRP 2 HZ3 TRP 2 -10.173 -7.996 -2.735
25 HH2 TRP 2 HH2 TRP 2 -11.806 -9.374 -1.554
26 H CYS 3 HN CYS 3 -8.622 -1.291 2.705
27 HA CYS 3 HA CYS 3 -6.975 0.115 0.727
28 HB2 CYS 3 HB2 CYS 3 -7.911 1.496 2.518
29 HB3 CYS 3 HB1 CYS 3 -7.158 0.462 3.728
30 H PHE 4 HN PHE 4 -5.043 -0.652 0.205
31 HA PHE 4 HA PHE 4 -3.681 -2.449 2.102
32 HB2 PHE 4 HB2 PHE 4 -3.463 -2.631 -0.904
33 HB3 PHE 4 HB1 PHE 4 -2.883 -3.788 0.290
34 HD1 PHE 4 HD1 PHE 4 -4.493 -5.187 1.537
35 HD2 PHE 4 HD2 PHE 4 -5.710 -2.654 -1.659
36 HE1 PHE 4 HE1 PHE 4 -6.609 -6.430 1.364
37 HE2 PHE 4 HE2 PHE 4 -7.830 -3.892 -1.837
38 HZ PHE 4 HZ PHE 4 -8.281 -5.783 -0.325
39 H ARG 5 HN ARG 5 -1.824 -1.660 2.815
40 HA ARG 5 HA ARG 5 -0.422 0.346 1.181
41 HB2 ARG 5 HB2 ARG 5 0.668 1.000 3.346
42 HB3 ARG 5 HB1 ARG 5 -1.067 1.280 3.282
43 HG2 ARG 5 HG2 ARG 5 -1.521 -0.534 4.700
44 HG3 ARG 5 HG1 ARG 5 0.100 -1.200 4.501
45 HD2 ARG 5 HD2 ARG 5 -0.404 1.486 5.752
46 HD3 ARG 5 HD1 ARG 5 -0.389 -0.006 6.691
47 HE ARG 5 HE ARG 5 1.960 -0.092 5.354
48 HH11 ARG 5 HH11 ARG 5 0.447 2.321 7.369
49 HH12 ARG 5 HH12 ARG 5 1.948 2.966 7.940
50 HH21 ARG 5 HH21 ARG 5 3.937 0.755 6.103
51 HH22 ARG 5 HH22 ARG 5 3.930 2.078 7.222
52 H VAL 6 HN VAL 6 1.705 0.097 0.666
53 HA VAL 6 HA VAL 6 3.260 -2.056 1.834
54 HB VAL 6 HB VAL 6 2.821 -2.012 -1.152
55 HG11 VAL 6 HG11 VAL 6 3.916 -4.265 -0.977
56 HG12 VAL 6 HG12 VAL 6 4.302 -3.869 0.698
57 HG13 VAL 6 HG13 VAL 6 4.964 -2.894 -0.613
58 HG21 VAL 6 HG21 VAL 6 1.591 -4.157 -0.762
59 HG22 VAL 6 HG22 VAL 6 0.759 -2.717 -0.177
60 HG23 VAL 6 HG23 VAL 6 1.593 -3.776 0.960
61 H CYS 7 HN CYS 7 4.738 -0.542 2.529
62 HA CYS 7 HA CYS 7 6.419 0.608 0.426
63 HB2 CYS 7 HB2 CYS 7 4.920 2.415 1.121
64 HB3 CYS 7 HB1 CYS 7 5.371 2.160 2.803
65 H TYR 8 HN TYR 8 8.466 0.074 0.753
66 HA TYR 8 HA TYR 8 9.459 -0.192 3.498
67 HB2 TYR 8 HB2 TYR 8 10.858 -2.185 2.397
68 HB3 TYR 8 HB1 TYR 8 9.298 -2.446 3.168
69 HD1 TYR 8 HD1 TYR 8 11.025 -2.129 -0.075
70 HD2 TYR 8 HD2 TYR 8 7.390 -3.124 1.899
71 HE1 TYR 8 HE1 TYR 8 10.164 -3.098 -2.164
72 HE2 TYR 8 HE2 TYR 8 6.519 -4.095 -0.184
73 HH TYR 8 HH TYR 8 7.320 -5.004 -2.271
74 H ARG 9 HN ARG 9 11.979 -0.611 3.333
75 HA ARG 9 HA ARG 9 13.178 1.699 2.446
76 HB2 ARG 9 HB2 ARG 9 15.333 0.448 2.596
77 HB3 ARG 9 HB1 ARG 9 14.305 0.269 4.011
78 HG2 ARG 9 HG2 ARG 9 13.765 -1.934 3.494
79 HG3 ARG 9 HG1 ARG 9 14.259 -1.758 1.809
80 HD2 ARG 9 HD2 ARG 9 15.917 -3.057 2.952
81 HD3 ARG 9 HD1 ARG 9 16.602 -1.475 2.589
82 HE ARG 9 HE ARG 9 15.572 -1.256 5.124
83 HH11 ARG 9 HH11 ARG 9 17.934 -3.286 3.550
84 HH12 ARG 9 HH12 ARG 9 18.877 -3.514 4.983
85 HH21 ARG 9 HH21 ARG 9 16.813 -1.555 7.011
86 HH22 ARG 9 HH22 ARG 9 18.241 -2.533 6.948
87 H GLY 10 HN GLY 10 12.665 -1.303 0.685
88 HA2 GLY 10 HA2 GLY 10 14.313 -0.764 -1.528
89 HA3 GLY 10 HA1 GLY 10 12.922 -1.835 -1.533
90 H ILE 11 HN ILE 11 10.808 -0.242 -1.144
91 HA ILE 11 HA ILE 11 10.931 2.118 -2.795
92 HB ILE 11 HB ILE 11 9.181 1.287 -4.391
93 HG12 ILE 11 HG12 ILE 11 9.486 -1.357 -4.632
94 HG13 ILE 11 HG11 ILE 11 9.754 -1.225 -2.897
95 HG21 ILE 11 HG21 ILE 11 11.656 -0.356 -4.723
96 HG22 ILE 11 HG22 ILE 11 11.746 1.405 -4.755
97 HG23 ILE 11 HG23 ILE 11 10.744 0.552 -5.929
98 HD11 ILE 11 HD11 ILE 11 7.468 0.307 -3.499
99 HD12 ILE 11 HD12 ILE 11 7.568 -1.203 -2.594
100 HD13 ILE 11 HD13 ILE 11 7.304 -1.235 -4.338
101 H CYS 12 HN CYS 12 8.476 2.778 -3.279
102 HA CYS 12 HA CYS 12 6.895 2.245 -0.856
103 HB2 CYS 12 HB2 CYS 12 8.224 4.562 -1.131
104 HB3 CYS 12 HB1 CYS 12 6.762 4.976 -2.018
105 H TYR 13 HN TYR 13 4.794 1.830 -1.205
106 HA TYR 13 HA TYR 13 3.492 2.748 -3.634
107 HB2 TYR 13 HB2 TYR 13 4.653 0.282 -3.718
108 HB3 TYR 13 HB1 TYR 13 3.037 -0.124 -3.148
109 HD1 TYR 13 HD2 TYR 13 1.081 0.286 -4.561
110 HD2 TYR 13 HD1 TYR 13 5.013 1.127 -5.950
111 HE1 TYR 13 HE2 TYR 13 0.232 0.420 -6.865
112 HE2 TYR 13 HE1 TYR 13 4.176 1.265 -8.258
113 HH TYR 13 HH TYR 13 1.282 1.790 -9.136
114 H ARG 14 HN ARG 14 1.319 3.019 -3.406
115 HA ARG 14 HA ARG 14 -0.083 1.819 -1.165
116 HB2 ARG 14 HB2 ARG 14 0.357 4.793 -1.419
117 HB3 ARG 14 HB1 ARG 14 -0.940 4.102 -0.453
118 HG2 ARG 14 HG2 ARG 14 0.637 3.002 0.983
119 HG3 ARG 14 HG1 ARG 14 1.981 3.501 -0.046
120 HD2 ARG 14 HD2 ARG 14 0.385 5.768 0.770
121 HD3 ARG 14 HD1 ARG 14 0.957 4.854 2.165
122 HE ARG 14 HE ARG 14 3.027 5.343 0.256
123 HH11 ARG 14 HH11 ARG 14 1.247 6.756 2.906
124 HH12 ARG 14 HH12 ARG 14 2.515 7.853 3.336
125 HH21 ARG 14 HH21 ARG 14 4.695 6.785 0.821
126 HH22 ARG 14 HH22 ARG 14 4.473 7.869 2.154
127 H ARG 15 HN ARG 15 -2.179 1.453 -1.626
128 HA ARG 15 HA ARG 15 -3.556 3.026 -3.635
129 HB2 ARG 15 HB2 ARG 15 -2.228 0.797 -4.508
130 HB3 ARG 15 HB1 ARG 15 -3.824 0.145 -4.166
131 HG2 ARG 15 HG2 ARG 15 -3.926 0.760 -6.405
132 HG3 ARG 15 HG1 ARG 15 -4.718 2.092 -5.561
133 HD2 ARG 15 HD2 ARG 15 -3.139 3.568 -6.164
134 HD3 ARG 15 HD1 ARG 15 -1.828 2.428 -5.870
135 HE ARG 15 HE ARG 15 -1.853 1.873 -8.092
136 HH11 ARG 15 HH11 ARG 15 -4.772 3.625 -7.330
137 HH12 ARG 15 HH12 ARG 15 -5.264 3.773 -8.983
138 HH21 ARG 15 HH21 ARG 15 -2.498 2.066 -10.267
139 HH22 ARG 15 HH22 ARG 15 -3.974 2.888 -10.652
140 H CYS 16 HN CYS 16 -5.421 3.494 -2.694
141 HA CYS 16 HA CYS 16 -7.031 1.359 -1.548
142 HB2 CYS 16 HB2 CYS 16 -6.445 3.866 0.035
143 HB3 CYS 16 HB1 CYS 16 -7.429 2.499 0.546
144 H ARG 17 HN ARG 17 -8.591 1.613 -3.086
145 HA ARG 17 HA ARG 17 -9.739 4.277 -3.487
146 HB2 ARG 17 HB2 ARG 17 -9.091 2.872 -5.461
147 HB3 ARG 17 HB1 ARG 17 -10.345 1.730 -4.995
148 HG2 ARG 17 HG2 ARG 17 -11.802 3.977 -5.070
149 HG3 ARG 17 HG1 ARG 17 -10.568 4.381 -6.267
150 HD2 ARG 17 HD2 ARG 17 -11.721 1.678 -6.478
151 HD3 ARG 17 HD1 ARG 17 -12.827 3.008 -6.822
152 HE ARG 17 HE ARG 17 -10.666 2.106 -8.455
153 HH11 ARG 17 HH11 ARG 17 -12.521 4.923 -7.562
154 HH12 ARG 17 HH12 ARG 17 -12.212 5.752 -9.051
155 HH21 ARG 17 HH21 ARG 17 -10.258 3.194 -10.413
156 HH22 ARG 17 HH22 ARG 17 -10.927 4.770 -10.669
157 HN1 NH2 18 HN1 NH2 18 -10.653 0.997 -2.547
158 HN2 NH2 18 HN2 NH2 18 -12.174 1.425 -1.850
Start of MODEL 19
1 H1 LYS 1 HT1 LYS 1 -9.274 -4.959 5.201
2 H2 LYS 1 HT2 LYS 1 -9.551 -3.358 5.759
3 H3 LYS 1 HT3 LYS 1 -8.193 -4.244 6.324
4 HA LYS 1 HA LYS 1 -7.376 -2.761 4.779
5 HB2 LYS 1 HB2 LYS 1 -6.964 -5.386 4.626
6 HB3 LYS 1 HB1 LYS 1 -7.707 -5.169 3.048
7 HG2 LYS 1 HG2 LYS 1 -6.009 -3.597 2.403
8 HG3 LYS 1 HG1 LYS 1 -5.316 -3.623 4.025
9 HD2 LYS 1 HD2 LYS 1 -3.922 -5.150 3.125
10 HD3 LYS 1 HD1 LYS 1 -5.263 -6.256 3.429
11 HE2 LYS 1 HE2 LYS 1 -5.772 -6.454 1.235
12 HE3 LYS 1 HE1 LYS 1 -5.363 -4.776 0.881
13 HZ1 LYS 1 HZ1 LYS 1 -2.983 -5.459 1.118
14 HZ2 LYS 1 HZ2 LYS 1 -3.784 -6.126 -0.214
15 HZ3 LYS 1 HZ3 LYS 1 -3.504 -7.068 1.163
16 H TRP 2 HN TRP 2 -8.935 -1.185 4.219
17 HA TRP 2 HA TRP 2 -10.773 -1.749 2.042
18 HB2 TRP 2 HB2 TRP 2 -10.276 0.924 3.356
19 HB3 TRP 2 HB1 TRP 2 -11.700 0.410 2.457
20 HD1 TRP 2 HD1 TRP 2 -11.068 1.260 5.769
21 HE1 TRP 2 HE1 TRP 2 -12.395 -0.131 7.479
22 HE3 TRP 2 HE3 TRP 2 -12.386 -2.667 2.773
23 HZ2 TRP 2 HZ2 TRP 2 -13.813 -2.571 7.549
24 HZ3 TRP 2 HZ3 TRP 2 -13.728 -4.489 3.739
25 HH2 TRP 2 HH2 TRP 2 -14.425 -4.440 6.079
26 H CYS 3 HN CYS 3 -7.762 -0.051 2.603
27 HA CYS 3 HA CYS 3 -7.628 0.548 -0.280
28 HB2 CYS 3 HB2 CYS 3 -6.711 2.176 2.079
29 HB3 CYS 3 HB1 CYS 3 -6.021 2.417 0.478
30 H PHE 4 HN PHE 4 -5.416 0.631 -1.158
31 HA PHE 4 HA PHE 4 -3.902 -1.641 -0.240
32 HB2 PHE 4 HB2 PHE 4 -3.532 0.274 -2.545
33 HB3 PHE 4 HB1 PHE 4 -2.420 -1.047 -2.206
34 HD1 PHE 4 HD1 PHE 4 -3.371 -3.412 -2.163
35 HD2 PHE 4 HD2 PHE 4 -5.449 -0.084 -3.811
36 HE1 PHE 4 HE1 PHE 4 -4.796 -4.946 -3.453
37 HE2 PHE 4 HE2 PHE 4 -6.879 -1.612 -5.103
38 HZ PHE 4 HZ PHE 4 -6.554 -4.046 -4.926
39 H ARG 5 HN ARG 5 -2.544 -1.454 1.411
40 HA ARG 5 HA ARG 5 -0.774 0.895 1.502
41 HB2 ARG 5 HB2 ARG 5 -2.778 0.482 3.310
42 HB3 ARG 5 HB1 ARG 5 -1.429 -0.319 4.104
43 HG2 ARG 5 HG2 ARG 5 -1.321 2.505 3.074
44 HG3 ARG 5 HG1 ARG 5 -1.753 2.074 4.730
45 HD2 ARG 5 HD2 ARG 5 0.372 1.536 5.288
46 HD3 ARG 5 HD1 ARG 5 0.742 0.892 3.689
47 HE ARG 5 HE ARG 5 0.506 3.612 3.355
48 HH11 ARG 5 HH11 ARG 5 2.500 1.478 5.265
49 HH12 ARG 5 HH12 ARG 5 3.855 2.555 5.282
50 HH21 ARG 5 HH21 ARG 5 2.288 5.030 3.375
51 HH22 ARG 5 HH22 ARG 5 3.735 4.571 4.209
52 H VAL 6 HN VAL 6 1.080 -0.018 0.797
53 HA VAL 6 HA VAL 6 2.388 -1.910 2.541
54 HB VAL 6 HB VAL 6 2.989 -3.427 0.595
55 HG11 VAL 6 HG11 VAL 6 1.160 -4.858 0.986
56 HG12 VAL 6 HG12 VAL 6 0.067 -3.509 1.295
57 HG13 VAL 6 HG13 VAL 6 1.331 -3.904 2.459
58 HG21 VAL 6 HG21 VAL 6 0.456 -2.452 -0.672
59 HG22 VAL 6 HG22 VAL 6 1.752 -3.422 -1.372
60 HG23 VAL 6 HG23 VAL 6 2.005 -1.704 -1.062
61 H CYS 7 HN CYS 7 4.614 -1.859 2.369
62 HA CYS 7 HA CYS 7 5.742 -0.106 0.296
63 HB2 CYS 7 HB2 CYS 7 5.598 1.229 2.310
64 HB3 CYS 7 HB1 CYS 7 6.360 -0.045 3.256
65 H TYR 8 HN TYR 8 7.996 -0.451 -0.156
66 HA TYR 8 HA TYR 8 8.785 -3.237 0.312
67 HB2 TYR 8 HB2 TYR 8 8.576 -2.018 -2.040
68 HB3 TYR 8 HB1 TYR 8 10.211 -1.497 -1.647
69 HD1 TYR 8 HD1 TYR 8 8.259 -4.684 -1.402
70 HD2 TYR 8 HD2 TYR 8 11.859 -2.771 -2.618
71 HE1 TYR 8 HE1 TYR 8 9.128 -6.842 -2.199
72 HE2 TYR 8 HE2 TYR 8 12.739 -4.924 -3.418
73 HH TYR 8 HH TYR 8 11.928 -7.091 -4.142
74 H ARG 9 HN ARG 9 11.343 -3.419 0.136
75 HA ARG 9 HA ARG 9 12.432 -2.599 2.514
76 HB2 ARG 9 HB2 ARG 9 13.295 -4.141 0.454
77 HB3 ARG 9 HB1 ARG 9 14.362 -2.754 0.285
78 HG2 ARG 9 HG2 ARG 9 14.579 -3.174 2.927
79 HG3 ARG 9 HG1 ARG 9 14.252 -4.820 2.381
80 HD2 ARG 9 HD2 ARG 9 16.462 -3.000 1.438
81 HD3 ARG 9 HD1 ARG 9 16.633 -4.450 2.426
82 HE ARG 9 HE ARG 9 15.358 -5.106 0.003
83 HH11 ARG 9 HH11 ARG 9 18.483 -4.166 1.241
84 HH12 ARG 9 HH12 ARG 9 19.362 -4.976 -0.012
85 HH21 ARG 9 HH21 ARG 9 16.513 -6.173 -1.645
86 HH22 ARG 9 HH22 ARG 9 18.245 -6.116 -1.650
87 H GLY 10 HN GLY 10 12.162 -0.785 -0.448
88 HA2 GLY 10 HA2 GLY 10 13.007 1.612 0.951
89 HA3 GLY 10 HA1 GLY 10 14.045 1.131 -0.382
90 H ILE 11 HN ILE 11 10.611 0.549 -0.475
91 HA ILE 11 HA ILE 11 10.085 2.947 -2.024
92 HB ILE 11 HB ILE 11 9.589 0.258 -3.297
93 HG12 ILE 11 HG12 ILE 11 11.811 2.245 -3.830
94 HG13 ILE 11 HG11 ILE 11 11.999 0.626 -3.164
95 HG21 ILE 11 HG21 ILE 11 8.065 2.029 -3.979
96 HG22 ILE 11 HG22 ILE 11 9.149 1.593 -5.301
97 HG23 ILE 11 HG23 ILE 11 9.433 3.068 -4.378
98 HD11 ILE 11 HD11 ILE 11 12.019 -0.299 -5.181
99 HD12 ILE 11 HD12 ILE 11 12.217 1.337 -5.808
100 HD13 ILE 11 HD13 ILE 11 10.609 0.620 -5.709
101 H CYS 12 HN CYS 12 8.372 3.630 -0.880
102 HA CYS 12 HA CYS 12 6.321 1.704 -0.080
103 HB2 CYS 12 HB2 CYS 12 6.594 4.626 0.648
104 HB3 CYS 12 HB1 CYS 12 5.446 3.487 1.340
105 H TYR 13 HN TYR 13 4.126 1.985 -0.577
106 HA TYR 13 HA TYR 13 3.269 4.065 -2.366
107 HB2 TYR 13 HB2 TYR 13 2.640 2.596 -4.222
108 HB3 TYR 13 HB1 TYR 13 4.379 2.549 -3.950
109 HD1 TYR 13 HD1 TYR 13 5.362 0.572 -2.730
110 HD2 TYR 13 HD2 TYR 13 1.339 0.632 -4.113
111 HE1 TYR 13 HE1 TYR 13 5.272 -1.878 -2.554
112 HE2 TYR 13 HE2 TYR 13 1.237 -1.819 -3.940
113 HH TYR 13 HH TYR 13 3.533 -3.643 -2.284
114 H ARG 14 HN ARG 14 1.116 4.401 -2.206
115 HA ARG 14 HA ARG 14 -0.591 2.279 -1.147
116 HB2 ARG 14 HB2 ARG 14 -1.566 3.777 0.537
117 HB3 ARG 14 HB1 ARG 14 0.148 3.511 0.827
118 HG2 ARG 14 HG2 ARG 14 0.643 5.680 -0.217
119 HG3 ARG 14 HG1 ARG 14 -1.088 5.949 -0.436
120 HD2 ARG 14 HD2 ARG 14 0.452 5.738 2.139
121 HD3 ARG 14 HD1 ARG 14 -0.469 7.113 1.531
122 HE ARG 14 HE ARG 14 -1.489 4.831 2.948
123 HH11 ARG 14 HH11 ARG 14 -2.279 7.392 0.713
124 HH12 ARG 14 HH12 ARG 14 -3.967 7.375 1.096
125 HH21 ARG 14 HH21 ARG 14 -3.710 4.807 3.452
126 HH22 ARG 14 HH22 ARG 14 -4.780 5.908 2.652
127 H ARG 15 HN ARG 15 -2.591 2.275 -2.006
128 HA ARG 15 HA ARG 15 -3.512 4.671 -3.430
129 HB2 ARG 15 HB2 ARG 15 -3.600 1.858 -4.538
130 HB3 ARG 15 HB1 ARG 15 -4.278 3.286 -5.308
131 HG2 ARG 15 HG2 ARG 15 -1.418 3.433 -4.614
132 HG3 ARG 15 HG1 ARG 15 -1.856 2.287 -5.882
133 HD2 ARG 15 HD2 ARG 15 -2.607 5.208 -5.836
134 HD3 ARG 15 HD1 ARG 15 -1.281 4.515 -6.769
135 HE ARG 15 HE ARG 15 -4.043 4.498 -7.455
136 HH11 ARG 15 HH11 ARG 15 -1.102 2.638 -7.711
137 HH12 ARG 15 HH12 ARG 15 -1.597 1.818 -9.154
138 HH21 ARG 15 HH21 ARG 15 -4.697 3.422 -9.353
139 HH22 ARG 15 HH22 ARG 15 -3.638 2.264 -10.086
140 H CYS 16 HN CYS 16 -5.779 4.859 -3.653
141 HA CYS 16 HA CYS 16 -7.325 3.053 -1.912
142 HB2 CYS 16 HB2 CYS 16 -7.187 6.016 -2.008
143 HB3 CYS 16 HB1 CYS 16 -8.781 5.308 -1.766
144 H ARG 17 HN ARG 17 -8.025 1.784 -3.645
145 HA ARG 17 HA ARG 17 -10.030 3.092 -5.351
146 HB2 ARG 17 HB2 ARG 17 -7.678 2.283 -6.377
147 HB3 ARG 17 HB1 ARG 17 -8.575 0.775 -6.495
148 HG2 ARG 17 HG2 ARG 17 -10.390 2.435 -7.541
149 HG3 ARG 17 HG1 ARG 17 -8.919 3.312 -7.965
150 HD2 ARG 17 HD2 ARG 17 -8.077 1.027 -8.818
151 HD3 ARG 17 HD1 ARG 17 -9.775 0.554 -8.772
152 HE ARG 17 HE ARG 17 -9.297 3.009 -10.187
153 HH11 ARG 17 HH11 ARG 17 -9.393 -0.469 -10.447
154 HH12 ARG 17 HH12 ARG 17 -9.689 -0.460 -12.153
155 HH21 ARG 17 HH21 ARG 17 -9.684 3.024 -12.432
156 HH22 ARG 17 HH22 ARG 17 -9.853 1.524 -13.281
157 HN1 NH2 18 HN1 NH2 18 -10.404 1.680 -2.888
158 HN2 NH2 18 HN2 NH2 18 -11.339 0.270 -3.235
Start of MODEL 20
1 H1 LYS 1 HT1 LYS 1 -15.022 -0.255 4.440
2 H2 LYS 1 HT2 LYS 1 -13.903 1.044 4.350
3 H3 LYS 1 HT3 LYS 1 -13.713 -0.174 5.545
4 HA LYS 1 HA LYS 1 -13.478 -1.790 3.713
5 HB2 LYS 1 HB2 LYS 1 -13.697 0.797 2.253
6 HB3 LYS 1 HB1 LYS 1 -12.560 -0.391 1.629
7 HG2 LYS 1 HG2 LYS 1 -14.264 -1.972 1.246
8 HG3 LYS 1 HG1 LYS 1 -15.431 -1.055 2.201
9 HD2 LYS 1 HD2 LYS 1 -15.825 0.448 0.529
10 HD3 LYS 1 HD1 LYS 1 -14.200 0.293 -0.141
11 HE2 LYS 1 HE2 LYS 1 -15.933 -2.098 -0.292
12 HE3 LYS 1 HE1 LYS 1 -16.381 -0.734 -1.314
13 HZ1 LYS 1 HZ1 LYS 1 -13.789 -0.853 -1.819
14 HZ2 LYS 1 HZ2 LYS 1 -14.931 -1.731 -2.704
15 HZ3 LYS 1 HZ3 LYS 1 -14.061 -2.485 -1.465
16 H TRP 2 HN TRP 2 -11.261 -2.120 2.741
17 HA TRP 2 HA TRP 2 -9.260 -0.735 4.401
18 HB2 TRP 2 HB2 TRP 2 -9.792 -3.382 4.439
19 HB3 TRP 2 HB1 TRP 2 -8.569 -3.342 3.173
20 HD1 TRP 2 HD1 TRP 2 -8.897 -1.847 6.754
21 HE1 TRP 2 HE1 TRP 2 -6.622 -2.121 7.927
22 HE3 TRP 2 HE3 TRP 2 -6.282 -4.045 2.951
23 HZ2 TRP 2 HZ2 TRP 2 -4.058 -3.134 7.320
24 HZ3 TRP 2 HZ3 TRP 2 -3.923 -4.634 3.328
25 HH2 TRP 2 HH2 TRP 2 -2.835 -4.187 5.468
26 H CYS 3 HN CYS 3 -7.273 -0.153 3.482
27 HA CYS 3 HA CYS 3 -7.406 0.314 0.605
28 HB2 CYS 3 HB2 CYS 3 -6.802 2.081 2.413
29 HB3 CYS 3 HB1 CYS 3 -5.216 1.316 2.401
30 H PHE 4 HN PHE 4 -5.537 -0.066 -0.753
31 HA PHE 4 HA PHE 4 -4.066 -2.472 0.083
32 HB2 PHE 4 HB2 PHE 4 -5.078 -1.500 -2.560
33 HB3 PHE 4 HB1 PHE 4 -3.662 -2.546 -2.521
34 HD1 PHE 4 HD1 PHE 4 -6.974 -2.438 -0.795
35 HD2 PHE 4 HD2 PHE 4 -4.121 -4.741 -2.956
36 HE1 PHE 4 HE1 PHE 4 -8.439 -4.408 -0.623
37 HE2 PHE 4 HE2 PHE 4 -5.582 -6.714 -2.789
38 HZ PHE 4 HZ PHE 4 -7.744 -6.549 -1.622
39 H ARG 5 HN ARG 5 -2.527 -1.126 1.226
40 HA ARG 5 HA ARG 5 -0.730 0.410 -0.517
41 HB2 ARG 5 HB2 ARG 5 0.141 1.421 1.522
42 HB3 ARG 5 HB1 ARG 5 -1.608 1.591 1.453
43 HG2 ARG 5 HG2 ARG 5 -1.495 0.893 3.582
44 HG3 ARG 5 HG1 ARG 5 -1.414 -0.707 2.841
45 HD2 ARG 5 HD2 ARG 5 1.193 -0.013 2.787
46 HD3 ARG 5 HD1 ARG 5 0.667 0.852 4.230
47 HE ARG 5 HE ARG 5 -0.252 -1.835 4.254
48 HH11 ARG 5 HH11 ARG 5 2.591 0.123 4.772
49 HH12 ARG 5 HH12 ARG 5 3.320 -1.005 5.866
50 HH21 ARG 5 HH21 ARG 5 0.706 -3.319 5.693
51 HH22 ARG 5 HH22 ARG 5 2.251 -2.958 6.388
52 H VAL 6 HN VAL 6 1.533 0.099 -0.408
53 HA VAL 6 HA VAL 6 2.574 -2.190 1.032
54 HB VAL 6 HB VAL 6 1.705 -3.220 -1.026
55 HG11 VAL 6 HG11 VAL 6 2.070 -2.455 -3.113
56 HG12 VAL 6 HG12 VAL 6 3.722 -1.954 -2.756
57 HG13 VAL 6 HG13 VAL 6 2.369 -0.927 -2.284
58 HG21 VAL 6 HG21 VAL 6 4.695 -3.094 -0.707
59 HG22 VAL 6 HG22 VAL 6 3.894 -4.213 -1.811
60 HG23 VAL 6 HG23 VAL 6 3.580 -4.308 -0.078
61 H CYS 7 HN CYS 7 4.449 -1.555 1.852
62 HA CYS 7 HA CYS 7 6.122 0.290 0.277
63 HB2 CYS 7 HB2 CYS 7 5.676 0.276 3.267
64 HB3 CYS 7 HB1 CYS 7 6.885 1.258 2.447
65 H TYR 8 HN TYR 8 7.993 -0.576 -0.274
66 HA TYR 8 HA TYR 8 9.024 -2.852 1.256
67 HB2 TYR 8 HB2 TYR 8 10.087 -1.857 -1.385
68 HB3 TYR 8 HB1 TYR 8 10.276 -3.453 -0.667
69 HD1 TYR 8 HD2 TYR 8 7.847 -4.578 -0.120
70 HD2 TYR 8 HD1 TYR 8 8.671 -1.749 -3.189
71 HE1 TYR 8 HE2 TYR 8 5.888 -5.377 -1.375
72 HE2 TYR 8 HE1 TYR 8 6.714 -2.540 -4.452
73 HH TYR 8 HH TYR 8 4.620 -3.699 -4.066
74 H ARG 9 HN ARG 9 11.470 -2.971 1.397
75 HA ARG 9 HA ARG 9 12.437 -0.866 2.948
76 HB2 ARG 9 HB2 ARG 9 13.358 -3.417 2.088
77 HB3 ARG 9 HB1 ARG 9 14.648 -2.258 1.795
78 HG2 ARG 9 HG2 ARG 9 13.336 -2.053 4.419
79 HG3 ARG 9 HG1 ARG 9 14.256 -3.532 4.135
80 HD2 ARG 9 HD2 ARG 9 15.630 -1.099 3.272
81 HD3 ARG 9 HD1 ARG 9 15.293 -1.148 5.002
82 HE ARG 9 HE ARG 9 16.457 -3.570 3.982
83 HH11 ARG 9 HH11 ARG 9 17.125 -0.385 5.243
84 HH12 ARG 9 HH12 ARG 9 18.717 -0.797 5.784
85 HH21 ARG 9 HH21 ARG 9 18.552 -4.113 4.693
86 HH22 ARG 9 HH22 ARG 9 19.528 -2.913 5.472
87 H GLY 10 HN GLY 10 12.364 -1.245 -0.479
88 HA2 GLY 10 HA2 GLY 10 14.463 0.705 -0.955
89 HA3 GLY 10 HA1 GLY 10 13.502 -0.115 -2.175
90 H ILE 11 HN ILE 11 10.934 0.559 -1.147
91 HA ILE 11 HA ILE 11 10.820 3.451 -1.005
92 HB ILE 11 HB ILE 11 10.981 3.062 -3.423
93 HG12 ILE 11 HG12 ILE 11 8.137 3.835 -2.791
94 HG13 ILE 11 HG11 ILE 11 9.497 4.865 -2.354
95 HG21 ILE 11 HG21 ILE 11 8.322 1.811 -3.609
96 HG22 ILE 11 HG22 ILE 11 9.616 0.777 -3.005
97 HG23 ILE 11 HG23 ILE 11 9.771 1.554 -4.581
98 HD11 ILE 11 HD11 ILE 11 8.492 4.124 -5.069
99 HD12 ILE 11 HD12 ILE 11 10.141 4.702 -4.834
100 HD13 ILE 11 HD13 ILE 11 8.776 5.723 -4.381
101 H CYS 12 HN CYS 12 8.649 4.255 -0.606
102 HA CYS 12 HA CYS 12 6.808 2.187 0.396
103 HB2 CYS 12 HB2 CYS 12 7.907 3.191 2.308
104 HB3 CYS 12 HB1 CYS 12 7.542 4.807 1.716
105 H TYR 13 HN TYR 13 4.891 2.274 -0.559
106 HA TYR 13 HA TYR 13 3.688 4.847 -1.192
107 HB2 TYR 13 HB2 TYR 13 3.193 4.245 -3.503
108 HB3 TYR 13 HB1 TYR 13 4.933 4.238 -3.234
109 HD1 TYR 13 HD1 TYR 13 6.033 1.954 -2.764
110 HD2 TYR 13 HD2 TYR 13 2.143 2.384 -4.433
111 HE1 TYR 13 HE1 TYR 13 6.161 -0.341 -3.639
112 HE2 TYR 13 HE2 TYR 13 2.260 0.090 -5.312
113 HH TYR 13 HH TYR 13 3.437 -1.979 -4.910
114 H ARG 14 HN ARG 14 1.394 4.646 -1.780
115 HA ARG 14 HA ARG 14 0.192 2.156 -0.765
116 HB2 ARG 14 HB2 ARG 14 -1.020 4.882 -0.344
117 HB3 ARG 14 HB1 ARG 14 -1.458 3.367 0.433
118 HG2 ARG 14 HG2 ARG 14 0.556 3.360 1.716
119 HG3 ARG 14 HG1 ARG 14 1.192 4.738 0.817
120 HD2 ARG 14 HD2 ARG 14 -0.022 6.230 1.991
121 HD3 ARG 14 HD1 ARG 14 -1.428 5.169 2.081
122 HE ARG 14 HE ARG 14 0.717 4.255 3.725
123 HH11 ARG 14 HH11 ARG 14 -1.918 6.538 3.568
124 HH12 ARG 14 HH12 ARG 14 -2.094 6.643 5.287
125 HH21 ARG 14 HH21 ARG 14 0.486 4.391 5.987
126 HH22 ARG 14 HH22 ARG 14 -0.729 5.425 6.660
127 H ARG 15 HN ARG 15 -2.120 1.901 -1.442
128 HA ARG 15 HA ARG 15 -2.962 3.316 -3.809
129 HB2 ARG 15 HB2 ARG 15 -1.352 1.066 -4.168
130 HB3 ARG 15 HB1 ARG 15 -2.987 0.480 -4.436
131 HG2 ARG 15 HG2 ARG 15 -2.186 3.007 -5.768
132 HG3 ARG 15 HG1 ARG 15 -1.523 1.492 -6.384
133 HD2 ARG 15 HD2 ARG 15 -3.786 0.602 -6.635
134 HD3 ARG 15 HD1 ARG 15 -4.452 2.109 -6.008
135 HE ARG 15 HE ARG 15 -2.950 2.903 -8.124
136 HH11 ARG 15 HH11 ARG 15 -5.499 0.554 -7.722
137 HH12 ARG 15 HH12 ARG 15 -6.083 0.725 -9.343
138 HH21 ARG 15 HH21 ARG 15 -3.717 3.130 -10.257
139 HH22 ARG 15 HH22 ARG 15 -5.072 2.187 -10.783
140 H CYS 16 HN CYS 16 -5.053 3.631 -3.482
141 HA CYS 16 HA CYS 16 -6.575 1.635 -1.960
142 HB2 CYS 16 HB2 CYS 16 -6.613 4.545 -2.120
143 HB3 CYS 16 HB1 CYS 16 -8.218 3.849 -2.309
144 H ARG 17 HN ARG 17 -8.673 0.995 -2.664
145 HA ARG 17 HA ARG 17 -9.587 1.683 -5.303
146 HB2 ARG 17 HB2 ARG 17 -8.039 -0.781 -4.821
147 HB3 ARG 17 HB1 ARG 17 -9.550 -1.013 -5.692
148 HG2 ARG 17 HG2 ARG 17 -8.782 0.818 -7.254
149 HG3 ARG 17 HG1 ARG 17 -7.204 0.688 -6.477
150 HD2 ARG 17 HD2 ARG 17 -6.707 -1.207 -7.558
151 HD3 ARG 17 HD1 ARG 17 -8.308 -1.890 -7.276
152 HE ARG 17 HE ARG 17 -8.750 -0.038 -9.199
153 HH11 ARG 17 HH11 ARG 17 -6.504 -2.692 -8.902
154 HH12 ARG 17 HH12 ARG 17 -6.433 -2.987 -10.606
155 HH21 ARG 17 HH21 ARG 17 -8.659 -0.424 -11.442
156 HH22 ARG 17 HH22 ARG 17 -7.657 -1.700 -12.049
157 HN1 NH2 18 HN1 NH2 18 -11.743 1.432 -5.439
158 HN2 NH2 18 HN2 NH2 18 -12.718 0.571 -4.304