Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
558238 | 2m2s RC | 18931 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -11.896 -2.721 1.112
2 HA2 GLY 1 2HA GLY 1 -12.297 -4.379 -0.499
3 HA3 GLY 1 1HA GLY 1 -13.321 -3.250 -1.375
4 H VAL 2 H VAL 2 -10.796 -1.372 -0.789
5 HA VAL 2 HA VAL 2 -9.579 -2.046 -3.354
6 HB VAL 2 HB VAL 2 -9.321 0.503 -1.722
7 HG11 VAL 2 1HG1 VAL 2 -8.469 -0.109 -4.552
8 HG12 VAL 2 2HG1 VAL 2 -7.404 0.144 -3.171
9 HG13 VAL 2 3HG1 VAL 2 -8.389 1.474 -3.781
10 HG21 VAL 2 3HG2 VAL 2 -11.033 -0.062 -4.148
11 HG22 VAL 2 1HG2 VAL 2 -10.801 1.523 -3.407
12 HG23 VAL 2 2HG2 VAL 2 -11.607 0.240 -2.508
13 H CYS 3 H CYS 3 -7.827 -3.244 -3.182
14 HA CYS 3 HA CYS 3 -6.103 -2.906 -0.858
15 HB2 CYS 3 2HB CYS 3 -6.146 -5.083 -2.955
16 HB3 CYS 3 1HB CYS 3 -5.005 -4.996 -1.618
17 H ARG 4 H ARG 4 -4.751 -1.408 -1.062
18 HA ARG 4 HA ARG 4 -3.450 -1.020 -3.644
19 HB2 ARG 4 2HB ARG 4 -4.592 0.956 -2.742
20 HB3 ARG 4 1HB ARG 4 -3.637 0.851 -1.275
21 HG2 ARG 4 2HG ARG 4 -2.797 2.603 -2.767
22 HG3 ARG 4 1HG ARG 4 -1.601 1.327 -2.540
23 HD2 ARG 4 2HD ARG 4 -1.697 2.015 -4.875
24 HD3 ARG 4 1HD ARG 4 -2.226 0.346 -4.692
25 HE ARG 4 HE ARG 4 -4.328 2.310 -4.662
26 HH11 ARG 4 1HH1 ARG 4 -2.441 0.094 -6.738
27 HH12 ARG 4 2HH1 ARG 4 -3.571 0.154 -8.010
28 HH21 ARG 4 1HH2 ARG 4 -5.852 2.338 -6.465
29 HH22 ARG 4 2HH2 ARG 4 -5.499 1.413 -7.856
30 H ABA 5 H ABA 5 -1.644 -2.128 -3.746
31 HA ABA 5 HA ABA 5 -0.019 -2.465 -1.358
32 HB3 ABA 5 1HB ABA 5 0.236 -3.763 -4.083
33 HB2 ABA 5 2HB ABA 5 -0.575 -4.486 -2.698
34 HG1 ABA 5 3HG ABA 5 1.532 -4.497 -1.468
35 HG3 ABA 5 1HG ABA 5 2.347 -3.791 -2.863
36 HG2 ABA 5 2HG ABA 5 1.647 -5.406 -2.975
37 H VAL 6 H VAL 6 1.128 -0.748 -1.059
38 HA VAL 6 HA VAL 6 2.455 0.613 -3.282
39 HB VAL 6 HB VAL 6 2.623 1.271 -0.353
40 HG11 VAL 6 1HG1 VAL 6 4.275 2.376 -1.672
41 HG12 VAL 6 2HG1 VAL 6 3.099 3.556 -1.092
42 HG13 VAL 6 3HG1 VAL 6 3.040 3.003 -2.766
43 HG21 VAL 6 3HG2 VAL 6 0.540 2.308 -2.274
44 HG22 VAL 6 1HG2 VAL 6 0.797 2.918 -0.639
45 HG23 VAL 6 2HG2 VAL 6 0.250 1.257 -0.888
46 H ABA 7 H ABA 7 4.679 0.585 -3.388
47 HA ABA 7 HA ABA 7 6.106 -0.974 -1.379
48 HB3 ABA 7 1HB ABA 7 6.502 -1.383 -4.355
49 HB2 ABA 7 2HB ABA 7 5.626 -2.491 -3.302
50 HG1 ABA 7 3HG ABA 7 7.883 -3.286 -3.732
51 HG3 ABA 7 1HG ABA 7 7.669 -2.893 -2.025
52 HG2 ABA 7 2HG ABA 7 8.544 -1.786 -3.083
53 H ARG 8 H ARG 8 7.683 0.194 -0.632
54 HA ARG 8 HA ARG 8 8.876 2.197 -2.425
55 HB2 ARG 8 2HB ARG 8 7.660 3.068 -0.397
56 HB3 ARG 8 1HB ARG 8 8.862 2.265 0.599
57 HG2 ARG 8 2HG ARG 8 10.623 3.625 -0.426
58 HG3 ARG 8 1HG ARG 8 9.400 4.440 -1.404
59 HD2 ARG 8 2HD ARG 8 9.588 4.462 1.602
60 HD3 ARG 8 1HD ARG 8 9.952 5.797 0.507
61 HE ARG 8 HE ARG 8 7.287 4.734 0.280
62 HH11 ARG 8 1HH1 ARG 8 9.320 7.260 1.711
63 HH12 ARG 8 2HH1 ARG 8 7.993 8.225 2.168
64 HH21 ARG 8 1HH2 ARG 8 5.508 6.024 0.980
65 HH22 ARG 8 2HH2 ARG 8 5.800 7.521 1.762
66 H ARG 9 H ARG 9 10.120 0.439 -3.210
67 HA ARG 9 HA ARG 9 11.892 -0.911 -3.422
68 HB2 ARG 9 2HB ARG 9 12.990 1.307 -3.346
69 HB3 ARG 9 1HB ARG 9 13.223 1.123 -1.616
70 HG2 ARG 9 2HG ARG 9 14.707 -0.750 -1.976
71 HG3 ARG 9 1HG ARG 9 14.407 -0.690 -3.713
72 HD2 ARG 9 2HD ARG 9 16.526 0.372 -3.172
73 HD3 ARG 9 1HD ARG 9 15.380 1.562 -3.787
74 HE ARG 9 HE ARG 9 15.640 1.218 -0.910
75 HH11 ARG 9 1HH1 ARG 9 16.278 3.251 -3.748
76 HH12 ARG 9 2HH1 ARG 9 16.583 4.644 -2.812
77 HH21 ARG 9 1HH2 ARG 9 16.114 3.074 0.308
78 HH22 ARG 9 2HH2 ARG 9 16.502 4.554 -0.452
79 H GLY 10 H GLY 10 10.622 -2.462 -2.203
80 HA2 GLY 10 2HA GLY 10 11.108 -4.396 -0.899
81 HA3 GLY 10 1HA GLY 10 12.207 -3.424 0.068
82 H VAL 11 H VAL 11 10.411 -1.258 0.510
83 HA VAL 11 HA VAL 11 8.970 -2.320 2.746
84 HB VAL 11 HB VAL 11 8.893 0.496 1.616
85 HG11 VAL 11 1HG1 VAL 11 7.023 0.038 3.120
86 HG12 VAL 11 2HG1 VAL 11 8.155 1.178 3.848
87 HG13 VAL 11 3HG1 VAL 11 8.151 -0.503 4.369
88 HG21 VAL 11 3HG2 VAL 11 11.169 -0.132 2.193
89 HG22 VAL 11 1HG2 VAL 11 10.635 -0.650 3.790
90 HG23 VAL 11 2HG2 VAL 11 10.552 1.055 3.342
91 H ABA 12 H ABA 12 7.447 -3.648 1.950
92 HA ABA 12 HA ABA 12 5.502 -2.736 0.016
93 HB3 ABA 12 1HB ABA 12 5.762 -5.360 1.511
94 HB2 ABA 12 2HB ABA 12 6.367 -5.039 -0.107
95 HG1 ABA 12 3HG ABA 12 4.093 -4.751 -0.923
96 HG3 ABA 12 1HG ABA 12 3.471 -5.044 0.702
97 HG2 ABA 12 2HG ABA 12 4.310 -6.330 -0.166
98 H ARG 13 H ARG 13 3.576 -1.989 0.515
99 HA ARG 13 HA ARG 13 2.529 -2.299 3.233
100 HB2 ARG 13 2HB ARG 13 3.614 -0.055 2.811
101 HB3 ARG 13 1HB ARG 13 2.425 0.214 1.553
102 HG2 ARG 13 2HG ARG 13 1.800 1.373 3.574
103 HG3 ARG 13 1HG ARG 13 0.639 0.092 3.235
104 HD2 ARG 13 2HD ARG 13 1.317 0.239 5.630
105 HD3 ARG 13 1HD ARG 13 1.628 -1.338 4.901
106 HE ARG 13 HE ARG 13 3.837 0.499 4.803
107 HH11 ARG 13 1HH1 ARG 13 2.245 -1.945 6.802
108 HH12 ARG 13 2HH1 ARG 13 3.669 -2.415 7.610
109 HH21 ARG 13 1HH2 ARG 13 5.810 -0.166 5.922
110 HH22 ARG 13 2HH2 ARG 13 5.732 -1.414 7.080
111 H ABA 14 H ABA 14 0.995 -3.796 2.613
112 HA ABA 14 HA ABA 14 -0.693 -3.160 0.312
113 HB3 ABA 14 1HB ABA 14 -0.472 -5.724 1.906
114 HB2 ABA 14 2HB ABA 14 0.350 -5.419 0.383
115 HG1 ABA 14 3HG ABA 14 -2.628 -5.572 0.792
116 HG3 ABA 14 1HG ABA 14 -1.609 -6.794 0.037
117 HG2 ABA 14 2HG ABA 14 -1.826 -5.223 -0.736
118 H VAL 15 H VAL 15 -2.127 -1.728 1.030
119 HA VAL 15 HA VAL 15 -3.563 -2.428 3.465
120 HB VAL 15 HB VAL 15 -4.441 -0.069 3.470
121 HG11 VAL 15 1HG1 VAL 15 -2.576 -0.681 4.881
122 HG12 VAL 15 2HG1 VAL 15 -2.343 0.953 4.258
123 HG13 VAL 15 3HG1 VAL 15 -1.447 -0.396 3.560
124 HG21 VAL 15 3HG2 VAL 15 -3.285 1.633 2.123
125 HG22 VAL 15 1HG2 VAL 15 -4.133 0.477 1.097
126 HG23 VAL 15 2HG2 VAL 15 -2.385 0.364 1.291
127 H CYS 16 H CYS 16 -5.415 -3.369 3.299
128 HA CYS 16 HA CYS 16 -7.005 -2.956 0.893
129 HB2 CYS 16 2HB CYS 16 -7.121 -5.103 3.022
130 HB3 CYS 16 1HB CYS 16 -8.309 -4.931 1.738
131 H ARG 17 H ARG 17 -8.239 -1.323 1.059
132 HA ARG 17 HA ARG 17 -9.756 -1.032 3.507
133 HB2 ARG 17 2HB ARG 17 -9.470 1.425 3.400
134 HB3 ARG 17 1HB ARG 17 -7.987 0.550 3.733
135 HG2 ARG 17 2HG ARG 17 -7.308 0.842 1.393
136 HG3 ARG 17 1HG ARG 17 -8.784 1.767 1.101
137 HD2 ARG 17 2HD ARG 17 -8.093 3.366 2.839
138 HD3 ARG 17 1HD ARG 17 -6.607 2.443 3.067
139 HE ARG 17 HE ARG 17 -7.091 3.371 0.381
140 HH11 ARG 17 1HH1 ARG 17 -5.444 3.980 3.466
141 HH12 ARG 17 2HH1 ARG 17 -4.458 5.224 2.840
142 HH21 ARG 17 1HH2 ARG 17 -5.664 5.072 -0.478
143 HH22 ARG 17 2HH2 ARG 17 -4.547 5.804 0.579
144 H ARG 18 H ARG 18 -11.727 -1.164 3.108
145 HA ARG 18 HA ARG 18 -13.779 -0.921 2.286
146 HB2 ARG 18 2HB ARG 18 -12.893 1.514 2.161
147 HB3 ARG 18 1HB ARG 18 -12.780 1.227 0.438
148 HG2 ARG 18 2HG ARG 18 -15.177 0.776 0.342
149 HG3 ARG 18 1HG ARG 18 -15.293 1.045 2.084
150 HD2 ARG 18 2HD ARG 18 -14.507 3.032 -0.035
151 HD3 ARG 18 1HD ARG 18 -15.961 3.043 0.964
152 HE ARG 18 HE ARG 18 -13.652 3.089 2.590
153 HH11 ARG 18 1HH1 ARG 18 -15.721 5.181 0.638
154 HH12 ARG 18 2HH1 ARG 18 -15.154 6.628 1.313
155 HH21 ARG 18 1HH2 ARG 18 -12.816 5.095 3.520
156 HH22 ARG 18 2HH2 ARG 18 -13.466 6.576 2.968
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -11.968 -2.492 1.673
2 HA2 GLY 1 2HA GLY 1 -12.022 -4.499 0.523
3 HA3 GLY 1 1HA GLY 1 -13.220 -3.817 -0.568
4 H VAL 2 H VAL 2 -10.887 -1.594 -0.533
5 HA VAL 2 HA VAL 2 -9.740 -2.612 -2.994
6 HB VAL 2 HB VAL 2 -9.575 0.135 -1.751
7 HG11 VAL 2 1HG1 VAL 2 -7.714 -0.321 -3.238
8 HG12 VAL 2 2HG1 VAL 2 -8.799 0.871 -3.952
9 HG13 VAL 2 3HG1 VAL 2 -8.829 -0.801 -4.518
10 HG21 VAL 2 3HG2 VAL 2 -11.867 -0.427 -2.374
11 HG22 VAL 2 1HG2 VAL 2 -11.328 -0.827 -4.003
12 HG23 VAL 2 2HG2 VAL 2 -11.203 0.832 -3.414
13 H CYS 3 H CYS 3 -7.889 -3.605 -2.784
14 HA CYS 3 HA CYS 3 -6.099 -2.789 -0.637
15 HB2 CYS 3 2HB CYS 3 -6.149 -5.306 -2.311
16 HB3 CYS 3 1HB CYS 3 -4.894 -4.930 -1.130
17 H ARG 4 H ARG 4 -4.443 -1.650 -1.086
18 HA ARG 4 HA ARG 4 -3.590 -1.408 -3.886
19 HB2 ARG 4 2HB ARG 4 -3.303 0.542 -1.590
20 HB3 ARG 4 1HB ARG 4 -2.731 0.807 -3.225
21 HG2 ARG 4 2HG ARG 4 -5.639 0.414 -2.532
22 HG3 ARG 4 1HG ARG 4 -4.863 1.988 -2.594
23 HD2 ARG 4 2HD ARG 4 -6.019 1.599 -4.668
24 HD3 ARG 4 1HD ARG 4 -4.290 1.570 -4.969
25 HE ARG 4 HE ARG 4 -5.449 -1.042 -4.562
26 HH11 ARG 4 1HH1 ARG 4 -4.758 1.488 -6.928
27 HH12 ARG 4 2HH1 ARG 4 -4.807 0.462 -8.279
28 HH21 ARG 4 1HH2 ARG 4 -5.568 -2.492 -6.456
29 HH22 ARG 4 2HH2 ARG 4 -5.286 -1.853 -8.003
30 H ABA 5 H ABA 5 -1.888 -2.674 -4.108
31 HA ABA 5 HA ABA 5 -0.023 -3.051 -1.904
32 HB3 ABA 5 1HB ABA 5 -0.130 -4.340 -4.645
33 HB2 ABA 5 2HB ABA 5 -0.810 -5.026 -3.175
34 HG1 ABA 5 3HG ABA 5 1.418 -5.172 -2.200
35 HG3 ABA 5 1HG ABA 5 2.106 -4.509 -3.679
36 HG2 ABA 5 2HG ABA 5 1.299 -6.077 -3.709
37 H VAL 6 H VAL 6 1.252 -1.329 -1.742
38 HA VAL 6 HA VAL 6 2.568 -0.303 -4.171
39 HB VAL 6 HB VAL 6 2.337 1.050 -1.466
40 HG11 VAL 6 1HG1 VAL 6 2.935 3.104 -2.645
41 HG12 VAL 6 2HG1 VAL 6 3.105 2.184 -4.143
42 HG13 VAL 6 3HG1 VAL 6 4.187 1.868 -2.786
43 HG21 VAL 6 3HG2 VAL 6 0.088 0.796 -2.373
44 HG22 VAL 6 1HG2 VAL 6 0.606 1.517 -3.895
45 HG23 VAL 6 2HG2 VAL 6 0.583 2.490 -2.430
46 H ABA 7 H ABA 7 4.873 0.100 -3.944
47 HA ABA 7 HA ABA 7 6.119 -1.426 -1.761
48 HB3 ABA 7 1HB ABA 7 7.042 -1.247 -4.643
49 HB2 ABA 7 2HB ABA 7 6.299 -2.657 -3.897
50 HG1 ABA 7 3HG ABA 7 8.711 -2.916 -4.084
51 HG3 ABA 7 1HG ABA 7 8.206 -2.880 -2.393
52 HG2 ABA 7 2HG ABA 7 8.946 -1.456 -3.126
53 H ARG 8 H ARG 8 7.247 -0.125 -0.503
54 HA ARG 8 HA ARG 8 8.595 2.178 -1.733
55 HB2 ARG 8 2HB ARG 8 6.592 2.900 -0.424
56 HB3 ARG 8 1HB ARG 8 7.283 2.150 1.005
57 HG2 ARG 8 2HG ARG 8 7.708 4.502 1.121
58 HG3 ARG 8 1HG ARG 8 9.238 3.678 0.798
59 HD2 ARG 8 2HD ARG 8 8.887 4.167 -1.636
60 HD3 ARG 8 1HD ARG 8 7.499 5.148 -1.179
61 HE ARG 8 HE ARG 8 9.937 5.847 0.155
62 HH11 ARG 8 1HH1 ARG 8 7.868 6.512 -2.649
63 HH12 ARG 8 2HH1 ARG 8 8.683 7.946 -3.059
64 HH21 ARG 8 1HH2 ARG 8 11.028 7.801 -0.437
65 HH22 ARG 8 2HH2 ARG 8 10.509 8.701 -1.788
66 H ARG 9 H ARG 9 10.712 1.885 -1.571
67 HA ARG 9 HA ARG 9 12.776 1.445 -0.815
68 HB2 ARG 9 2HB ARG 9 12.021 2.773 1.212
69 HB3 ARG 9 1HB ARG 9 11.522 1.269 1.953
70 HG2 ARG 9 2HG ARG 9 13.640 2.024 2.869
71 HG3 ARG 9 1HG ARG 9 13.842 0.508 2.002
72 HD2 ARG 9 2HD ARG 9 14.706 1.736 0.057
73 HD3 ARG 9 1HD ARG 9 14.498 3.253 0.940
74 HE ARG 9 HE ARG 9 16.063 1.589 2.498
75 HH11 ARG 9 1HH1 ARG 9 16.340 3.232 -0.633
76 HH12 ARG 9 2HH1 ARG 9 18.035 3.335 -0.576
77 HH21 ARG 9 1HH2 ARG 9 18.374 1.770 2.579
78 HH22 ARG 9 2HH2 ARG 9 19.222 2.481 1.274
79 H GLY 10 H GLY 10 10.952 -0.612 -1.642
80 HA2 GLY 10 2HA GLY 10 11.200 -2.882 -2.017
81 HA3 GLY 10 1HA GLY 10 12.474 -2.908 -0.801
82 H VAL 11 H VAL 11 9.898 -1.373 0.554
83 HA VAL 11 HA VAL 11 9.052 -3.809 1.916
84 HB VAL 11 HB VAL 11 8.460 -0.914 2.597
85 HG11 VAL 11 1HG1 VAL 11 6.837 -2.469 3.524
86 HG12 VAL 11 2HG1 VAL 11 7.833 -1.771 4.801
87 HG13 VAL 11 3HG1 VAL 11 8.140 -3.417 4.245
88 HG21 VAL 11 3HG2 VAL 11 10.855 -1.311 2.744
89 HG22 VAL 11 1HG2 VAL 11 10.576 -2.733 3.747
90 HG23 VAL 11 2HG2 VAL 11 10.168 -1.131 4.359
91 H ABA 12 H ABA 12 7.176 -4.679 1.376
92 HA ABA 12 HA ABA 12 5.478 -3.320 -0.507
93 HB3 ABA 12 1HB ABA 12 5.303 -6.091 0.701
94 HB2 ABA 12 2HB ABA 12 6.029 -5.691 -0.850
95 HG1 ABA 12 3HG ABA 12 3.130 -5.373 -0.129
96 HG3 ABA 12 1HG ABA 12 3.815 -6.638 -1.146
97 HG2 ABA 12 2HG ABA 12 3.856 -4.960 -1.681
98 H ARG 13 H ARG 13 3.905 -2.113 0.133
99 HA ARG 13 HA ARG 13 2.692 -2.556 2.757
100 HB2 ARG 13 2HB ARG 13 3.914 -0.429 2.610
101 HB3 ARG 13 1HB ARG 13 3.009 0.006 1.170
102 HG2 ARG 13 2HG ARG 13 0.957 0.118 2.455
103 HG3 ARG 13 1HG ARG 13 1.813 -0.400 3.907
104 HD2 ARG 13 2HD ARG 13 2.352 2.129 2.346
105 HD3 ARG 13 1HD ARG 13 1.464 2.033 3.864
106 HE ARG 13 HE ARG 13 3.872 0.863 4.381
107 HH11 ARG 13 1HH1 ARG 13 2.830 4.055 3.262
108 HH12 ARG 13 2HH1 ARG 13 4.143 4.891 3.916
109 HH21 ARG 13 1HH2 ARG 13 5.734 2.048 5.324
110 HH22 ARG 13 2HH2 ARG 13 5.807 3.727 5.118
111 H ABA 14 H ABA 14 0.959 -3.751 2.287
112 HA ABA 14 HA ABA 14 -0.712 -2.988 0.023
113 HB3 ABA 14 1HB ABA 14 -0.859 -5.441 1.802
114 HB2 ABA 14 2HB ABA 14 -0.055 -5.382 0.237
115 HG1 ABA 14 3HG ABA 14 -2.233 -6.432 0.062
116 HG3 ABA 14 1HG ABA 14 -2.185 -4.929 -0.852
117 HG2 ABA 14 2HG ABA 14 -3.004 -4.979 0.704
118 H VAL 15 H VAL 15 -2.015 -1.426 0.575
119 HA VAL 15 HA VAL 15 -3.197 -1.362 3.256
120 HB VAL 15 HB VAL 15 -3.343 0.739 1.072
121 HG11 VAL 15 1HG1 VAL 15 -5.195 0.914 2.622
122 HG12 VAL 15 2HG1 VAL 15 -4.077 2.254 2.873
123 HG13 VAL 15 3HG1 VAL 15 -4.088 0.891 3.993
124 HG21 VAL 15 3HG2 VAL 15 -1.051 0.461 1.814
125 HG22 VAL 15 1HG2 VAL 15 -1.550 0.619 3.496
126 HG23 VAL 15 2HG2 VAL 15 -1.697 1.995 2.409
127 H CYS 16 H CYS 16 -5.107 -2.322 3.468
128 HA CYS 16 HA CYS 16 -6.886 -2.414 1.148
129 HB2 CYS 16 2HB CYS 16 -6.821 -4.166 3.608
130 HB3 CYS 16 1HB CYS 16 -8.029 -4.279 2.330
131 H ARG 17 H ARG 17 -8.297 -0.918 1.118
132 HA ARG 17 HA ARG 17 -9.723 -0.174 3.572
133 HB2 ARG 17 2HB ARG 17 -7.977 1.506 3.154
134 HB3 ARG 17 1HB ARG 17 -8.552 1.697 1.506
135 HG2 ARG 17 2HG ARG 17 -10.714 2.504 2.412
136 HG3 ARG 17 1HG ARG 17 -10.017 2.430 4.030
137 HD2 ARG 17 2HD ARG 17 -9.004 4.082 1.727
138 HD3 ARG 17 1HD ARG 17 -9.893 4.683 3.125
139 HE ARG 17 HE ARG 17 -7.680 3.382 4.122
140 HH11 ARG 17 1HH1 ARG 17 -8.298 6.185 2.051
141 HH12 ARG 17 2HH1 ARG 17 -6.872 6.997 2.507
142 HH21 ARG 17 1HH2 ARG 17 -5.715 4.522 4.726
143 HH22 ARG 17 2HH2 ARG 17 -5.388 6.046 4.028
144 H ARG 18 H ARG 18 -11.830 -0.468 3.175
145 HA ARG 18 HA ARG 18 -13.868 -0.514 2.187
146 HB2 ARG 18 2HB ARG 18 -13.364 1.865 1.649
147 HB3 ARG 18 1HB ARG 18 -12.572 1.364 0.170
148 HG2 ARG 18 2HG ARG 18 -14.687 0.650 -0.763
149 HG3 ARG 18 1HG ARG 18 -15.506 1.001 0.760
150 HD2 ARG 18 2HD ARG 18 -15.834 2.779 -0.906
151 HD3 ARG 18 1HD ARG 18 -14.995 3.351 0.530
152 HE ARG 18 HE ARG 18 -13.412 2.569 -1.791
153 HH11 ARG 18 1HH1 ARG 18 -14.756 5.176 0.195
154 HH12 ARG 18 2HH1 ARG 18 -13.697 6.363 -0.387
155 HH21 ARG 18 1HH2 ARG 18 -11.948 4.266 -2.621
156 HH22 ARG 18 2HH2 ARG 18 -12.079 5.848 -2.003
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -11.786 -2.293 1.253
2 HA2 GLY 1 2HA GLY 1 -12.070 -4.332 0.141
3 HA3 GLY 1 1HA GLY 1 -13.105 -3.520 -1.022
4 H VAL 2 H VAL 2 -10.488 -1.613 -0.801
5 HA VAL 2 HA VAL 2 -9.296 -2.874 -3.158
6 HB VAL 2 HB VAL 2 -9.077 0.013 -2.275
7 HG11 VAL 2 1HG1 VAL 2 -7.218 -0.708 -3.670
8 HG12 VAL 2 2HG1 VAL 2 -8.250 0.425 -4.545
9 HG13 VAL 2 3HG1 VAL 2 -8.345 -1.300 -4.891
10 HG21 VAL 2 3HG2 VAL 2 -11.388 -0.491 -2.848
11 HG22 VAL 2 1HG2 VAL 2 -10.874 -1.185 -4.385
12 HG23 VAL 2 2HG2 VAL 2 -10.660 0.539 -4.081
13 H CYS 3 H CYS 3 -7.618 -4.051 -2.528
14 HA CYS 3 HA CYS 3 -5.816 -3.023 -0.490
15 HB2 CYS 3 2HB CYS 3 -5.933 -5.708 -1.876
16 HB3 CYS 3 1HB CYS 3 -4.679 -5.251 -0.730
17 H ARG 4 H ARG 4 -4.430 -1.636 -1.165
18 HA ARG 4 HA ARG 4 -3.259 -2.006 -3.804
19 HB2 ARG 4 2HB ARG 4 -4.340 0.154 -3.445
20 HB3 ARG 4 1HB ARG 4 -3.366 0.422 -2.011
21 HG2 ARG 4 2HG ARG 4 -2.422 1.766 -3.690
22 HG3 ARG 4 1HG ARG 4 -1.348 0.388 -3.521
23 HD2 ARG 4 2HD ARG 4 -3.459 0.665 -5.670
24 HD3 ARG 4 1HD ARG 4 -1.770 1.103 -5.866
25 HE ARG 4 HE ARG 4 -2.389 -1.666 -5.152
26 HH11 ARG 4 1HH1 ARG 4 -1.307 0.635 -7.622
27 HH12 ARG 4 2HH1 ARG 4 -0.848 -0.570 -8.731
28 HH21 ARG 4 1HH2 ARG 4 -1.702 -3.321 -6.652
29 HH22 ARG 4 2HH2 ARG 4 -1.040 -2.875 -8.144
30 H ABA 5 H ABA 5 -1.423 -3.160 -3.641
31 HA ABA 5 HA ABA 5 0.275 -2.991 -1.338
32 HB3 ABA 5 1HB ABA 5 0.648 -4.405 -3.989
33 HB2 ABA 5 2HB ABA 5 -0.046 -5.131 -2.543
34 HG1 ABA 5 3HG ABA 5 2.269 -5.813 -2.845
35 HG3 ABA 5 1HG ABA 5 2.074 -4.856 -1.374
36 HG2 ABA 5 2HG ABA 5 2.775 -4.123 -2.816
37 H VAL 6 H VAL 6 1.190 -1.078 -1.141
38 HA VAL 6 HA VAL 6 2.392 0.213 -3.458
39 HB VAL 6 HB VAL 6 2.463 1.130 -0.597
40 HG11 VAL 6 1HG1 VAL 6 3.999 2.289 -2.034
41 HG12 VAL 6 2HG1 VAL 6 2.710 3.384 -1.538
42 HG13 VAL 6 3HG1 VAL 6 2.700 2.689 -3.159
43 HG21 VAL 6 3HG2 VAL 6 0.112 0.806 -1.145
44 HG22 VAL 6 1HG2 VAL 6 0.299 1.779 -2.604
45 HG23 VAL 6 2HG2 VAL 6 0.468 2.526 -1.012
46 H ABA 7 H ABA 7 4.604 0.433 -3.584
47 HA ABA 7 HA ABA 7 6.145 -1.376 -1.970
48 HB3 ABA 7 1HB ABA 7 7.882 -0.848 -3.636
49 HB2 ABA 7 2HB ABA 7 6.762 0.235 -4.447
50 HG1 ABA 7 3HG ABA 7 6.886 -1.905 -5.596
51 HG3 ABA 7 1HG ABA 7 5.277 -1.640 -4.927
52 HG2 ABA 7 2HG ABA 7 6.400 -2.736 -4.120
53 H ARG 8 H ARG 8 6.827 -0.511 -0.126
54 HA ARG 8 HA ARG 8 7.456 2.346 0.034
55 HB2 ARG 8 2HB ARG 8 6.142 0.745 1.801
56 HB3 ARG 8 1HB ARG 8 7.784 0.501 2.369
57 HG2 ARG 8 2HG ARG 8 6.389 3.172 2.152
58 HG3 ARG 8 1HG ARG 8 6.590 2.245 3.628
59 HD2 ARG 8 2HD ARG 8 8.867 3.291 1.957
60 HD3 ARG 8 1HD ARG 8 8.188 4.149 3.342
61 HE ARG 8 HE ARG 8 9.181 1.447 3.766
62 HH11 ARG 8 1HH1 ARG 8 9.775 4.927 4.124
63 HH12 ARG 8 2HH1 ARG 8 11.019 4.730 5.267
64 HH21 ARG 8 1HH2 ARG 8 10.952 1.212 5.288
65 HH22 ARG 8 2HH2 ARG 8 11.707 2.589 5.940
66 H ARG 9 H ARG 9 9.188 1.985 -1.422
67 HA ARG 9 HA ARG 9 11.257 1.604 -2.123
68 HB2 ARG 9 2HB ARG 9 11.739 3.016 -0.066
69 HB3 ARG 9 1HB ARG 9 12.072 1.517 0.796
70 HG2 ARG 9 2HG ARG 9 13.837 1.000 -0.838
71 HG3 ARG 9 1HG ARG 9 13.530 2.545 -1.626
72 HD2 ARG 9 2HD ARG 9 14.115 3.696 0.462
73 HD3 ARG 9 1HD ARG 9 14.445 2.128 1.203
74 HE ARG 9 HE ARG 9 15.875 2.704 -1.231
75 HH11 ARG 9 1HH1 ARG 9 15.980 2.666 2.298
76 HH12 ARG 9 2HH1 ARG 9 17.676 2.728 2.404
77 HH21 ARG 9 1HH2 ARG 9 18.154 2.826 -1.115
78 HH22 ARG 9 2HH2 ARG 9 18.976 2.832 0.391
79 H GLY 10 H GLY 10 9.905 -0.506 -2.397
80 HA2 GLY 10 2HA GLY 10 10.556 -2.688 -3.061
81 HA3 GLY 10 1HA GLY 10 11.795 -2.663 -1.817
82 H VAL 11 H VAL 11 10.072 -1.857 0.309
83 HA VAL 11 HA VAL 11 9.115 -4.463 1.033
84 HB VAL 11 HB VAL 11 9.044 -1.819 2.537
85 HG11 VAL 11 1HG1 VAL 11 8.468 -3.094 4.540
86 HG12 VAL 11 2HG1 VAL 11 8.431 -4.582 3.606
87 HG13 VAL 11 3HG1 VAL 11 7.225 -3.327 3.307
88 HG21 VAL 11 3HG2 VAL 11 10.790 -4.257 2.832
89 HG22 VAL 11 1HG2 VAL 11 10.835 -2.832 3.868
90 HG23 VAL 11 2HG2 VAL 11 11.275 -2.697 2.165
91 H ABA 12 H ABA 12 7.116 -5.180 1.082
92 HA ABA 12 HA ABA 12 5.131 -3.806 -0.426
93 HB3 ABA 12 1HB ABA 12 3.710 -5.776 0.069
94 HB2 ABA 12 2HB ABA 12 4.946 -6.366 1.173
95 HG1 ABA 12 3HG ABA 12 5.052 -7.513 -0.965
96 HG3 ABA 12 1HG ABA 12 6.518 -6.578 -0.667
97 HG2 ABA 12 2HG ABA 12 5.299 -5.970 -1.785
98 H ARG 13 H ARG 13 3.849 -2.313 0.318
99 HA ARG 13 HA ARG 13 2.926 -2.415 3.103
100 HB2 ARG 13 2HB ARG 13 4.403 -0.453 2.457
101 HB3 ARG 13 1HB ARG 13 3.188 0.005 1.278
102 HG2 ARG 13 2HG ARG 13 2.950 1.391 3.217
103 HG3 ARG 13 1HG ARG 13 1.568 0.294 3.154
104 HD2 ARG 13 2HD ARG 13 2.579 -1.134 4.816
105 HD3 ARG 13 1HD ARG 13 4.043 -0.151 4.823
106 HE ARG 13 HE ARG 13 1.622 1.266 5.476
107 HH11 ARG 13 1HH1 ARG 13 4.353 -0.574 6.797
108 HH12 ARG 13 2HH1 ARG 13 4.189 0.060 8.364
109 HH21 ARG 13 1HH2 ARG 13 1.435 2.153 7.672
110 HH22 ARG 13 2HH2 ARG 13 2.534 1.626 8.875
111 H ABA 14 H ABA 14 1.157 -3.718 2.532
112 HA ABA 14 HA ABA 14 -0.546 -2.882 0.334
113 HB3 ABA 14 1HB ABA 14 -0.775 -5.268 2.162
114 HB2 ABA 14 2HB ABA 14 0.015 -5.283 0.590
115 HG1 ABA 14 3HG ABA 14 -2.108 -4.764 -0.489
116 HG3 ABA 14 1HG ABA 14 -2.901 -4.735 1.087
117 HG2 ABA 14 2HG ABA 14 -2.209 -6.238 0.477
118 H VAL 15 H VAL 15 -1.801 -1.310 0.739
119 HA VAL 15 HA VAL 15 -3.104 -1.160 3.319
120 HB VAL 15 HB VAL 15 -3.862 1.121 2.593
121 HG11 VAL 15 1HG1 VAL 15 -0.891 0.655 2.398
122 HG12 VAL 15 2HG1 VAL 15 -1.810 0.820 3.886
123 HG13 VAL 15 3HG1 VAL 15 -1.670 2.191 2.783
124 HG21 VAL 15 3HG2 VAL 15 -2.100 0.593 0.190
125 HG22 VAL 15 1HG2 VAL 15 -2.814 2.153 0.608
126 HG23 VAL 15 2HG2 VAL 15 -3.852 0.797 0.168
127 H CYS 16 H CYS 16 -4.965 -2.092 3.558
128 HA CYS 16 HA CYS 16 -6.674 -2.464 1.222
129 HB2 CYS 16 2HB CYS 16 -6.599 -3.915 3.876
130 HB3 CYS 16 1HB CYS 16 -7.822 -4.189 2.641
131 H ARG 17 H ARG 17 -8.076 -0.949 1.014
132 HA ARG 17 HA ARG 17 -9.660 -0.181 3.316
133 HB2 ARG 17 2HB ARG 17 -7.899 1.496 3.238
134 HB3 ARG 17 1HB ARG 17 -8.188 1.777 1.531
135 HG2 ARG 17 2HG ARG 17 -10.383 2.697 2.045
136 HG3 ARG 17 1HG ARG 17 -10.132 2.361 3.760
137 HD2 ARG 17 2HD ARG 17 -9.681 4.703 3.292
138 HD3 ARG 17 1HD ARG 17 -8.202 3.873 3.759
139 HE ARG 17 HE ARG 17 -8.692 4.075 0.920
140 HH11 ARG 17 1HH1 ARG 17 -7.031 5.451 3.747
141 HH12 ARG 17 2HH1 ARG 17 -5.947 6.396 2.841
142 HH21 ARG 17 1HH2 ARG 17 -7.177 5.415 -0.329
143 HH22 ARG 17 2HH2 ARG 17 -6.043 6.382 0.482
144 H ARG 18 H ARG 18 -11.723 -0.158 2.795
145 HA ARG 18 HA ARG 18 -13.685 -0.151 1.664
146 HB2 ARG 18 2HB ARG 18 -12.772 2.142 0.984
147 HB3 ARG 18 1HB ARG 18 -12.244 1.395 -0.509
148 HG2 ARG 18 2HG ARG 18 -14.597 0.828 -1.018
149 HG3 ARG 18 1HG ARG 18 -15.089 1.692 0.441
150 HD2 ARG 18 2HD ARG 18 -14.007 3.728 -0.456
151 HD3 ARG 18 1HD ARG 18 -13.637 2.835 -1.931
152 HE ARG 18 HE ARG 18 -16.411 3.039 -1.070
153 HH11 ARG 18 1HH1 ARG 18 -13.924 3.916 -3.443
154 HH12 ARG 18 2HH1 ARG 18 -15.036 4.609 -4.539
155 HH21 ARG 18 1HH2 ARG 18 -17.900 3.999 -2.571
156 HH22 ARG 18 2HH2 ARG 18 -17.325 4.650 -4.040
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -11.577 -2.624 1.982
2 HA2 GLY 1 2HA GLY 1 -11.705 -4.684 0.871
3 HA3 GLY 1 1HA GLY 1 -12.986 -4.037 -0.144
4 H VAL 2 H VAL 2 -11.162 -1.595 -0.593
5 HA VAL 2 HA VAL 2 -9.907 -2.760 -2.926
6 HB VAL 2 HB VAL 2 -10.154 0.142 -2.049
7 HG11 VAL 2 1HG1 VAL 2 -9.375 0.730 -4.291
8 HG12 VAL 2 2HG1 VAL 2 -9.145 -0.976 -4.664
9 HG13 VAL 2 3HG1 VAL 2 -8.151 -0.202 -3.430
10 HG21 VAL 2 3HG2 VAL 2 -12.266 -0.894 -2.680
11 HG22 VAL 2 1HG2 VAL 2 -11.566 -1.409 -4.213
12 HG23 VAL 2 2HG2 VAL 2 -11.772 0.310 -3.872
13 H CYS 3 H CYS 3 -7.962 -3.526 -2.810
14 HA CYS 3 HA CYS 3 -6.112 -2.459 -0.796
15 HB2 CYS 3 2HB CYS 3 -6.265 -5.216 -2.001
16 HB3 CYS 3 1HB CYS 3 -5.047 -4.683 -0.855
17 H ARG 4 H ARG 4 -4.494 -1.348 -1.556
18 HA ARG 4 HA ARG 4 -3.465 -1.902 -4.256
19 HB2 ARG 4 2HB ARG 4 -4.146 0.430 -4.070
20 HB3 ARG 4 1HB ARG 4 -3.285 0.606 -2.547
21 HG2 ARG 4 2HG ARG 4 -1.151 0.204 -3.763
22 HG3 ARG 4 1HG ARG 4 -2.065 0.165 -5.263
23 HD2 ARG 4 2HD ARG 4 -2.128 2.532 -3.420
24 HD3 ARG 4 1HD ARG 4 -0.875 2.329 -4.641
25 HE ARG 4 HE ARG 4 -3.700 2.320 -5.423
26 HH11 ARG 4 1HH1 ARG 4 -0.468 3.858 -5.546
27 HH12 ARG 4 2HH1 ARG 4 -0.910 4.919 -6.791
28 HH21 ARG 4 1HH2 ARG 4 -4.238 3.849 -7.133
29 HH22 ARG 4 2HH2 ARG 4 -3.044 4.924 -7.719
30 H ABA 5 H ABA 5 -1.394 -2.613 -4.446
31 HA ABA 5 HA ABA 5 0.073 -3.080 -1.975
32 HB3 ABA 5 1HB ABA 5 0.566 -4.101 -4.783
33 HB2 ABA 5 2HB ABA 5 -0.254 -4.994 -3.506
34 HG1 ABA 5 3HG ABA 5 2.617 -4.106 -3.467
35 HG3 ABA 5 1HG ABA 5 2.039 -5.747 -3.747
36 HG2 ABA 5 2HG ABA 5 1.795 -4.984 -2.178
37 H VAL 6 H VAL 6 1.328 -1.469 -1.424
38 HA VAL 6 HA VAL 6 2.603 0.090 -3.529
39 HB VAL 6 HB VAL 6 3.060 1.814 -1.774
40 HG11 VAL 6 1HG1 VAL 6 0.779 2.654 -1.598
41 HG12 VAL 6 2HG1 VAL 6 0.158 1.070 -2.062
42 HG13 VAL 6 3HG1 VAL 6 1.105 2.016 -3.212
43 HG21 VAL 6 3HG2 VAL 6 3.023 0.382 0.204
44 HG22 VAL 6 1HG2 VAL 6 1.301 0.082 -0.031
45 HG23 VAL 6 2HG2 VAL 6 1.866 1.703 0.372
46 H ABA 7 H ABA 7 4.697 0.052 -3.797
47 HA ABA 7 HA ABA 7 6.292 -1.515 -1.918
48 HB3 ABA 7 1HB ABA 7 6.942 -0.595 -4.739
49 HB2 ABA 7 2HB ABA 7 6.377 -2.202 -4.305
50 HG1 ABA 7 3HG ABA 7 8.977 -0.967 -3.430
51 HG3 ABA 7 1HG ABA 7 8.773 -2.187 -4.687
52 HG2 ABA 7 2HG ABA 7 8.408 -2.580 -3.005
53 H ARG 8 H ARG 8 6.900 -0.181 -0.373
54 HA ARG 8 HA ARG 8 7.771 2.505 -1.082
55 HB2 ARG 8 2HB ARG 8 7.042 1.306 1.597
56 HB3 ARG 8 1HB ARG 8 7.613 2.957 1.367
57 HG2 ARG 8 2HG ARG 8 5.687 3.469 -0.006
58 HG3 ARG 8 1HG ARG 8 5.141 1.798 0.099
59 HD2 ARG 8 2HD ARG 8 4.823 2.042 2.498
60 HD3 ARG 8 1HD ARG 8 5.416 3.706 2.423
61 HE ARG 8 HE ARG 8 3.426 3.788 0.672
62 HH11 ARG 8 1HH1 ARG 8 3.404 2.325 3.921
63 HH12 ARG 8 2HH1 ARG 8 1.780 2.728 4.192
64 HH21 ARG 8 1HH2 ARG 8 1.192 4.247 1.080
65 HH22 ARG 8 2HH2 ARG 8 0.482 3.804 2.568
66 H ARG 9 H ARG 9 9.586 1.521 -2.037
67 HA ARG 9 HA ARG 9 11.752 0.947 -2.226
68 HB2 ARG 9 2HB ARG 9 11.885 3.194 -1.190
69 HB3 ARG 9 1HB ARG 9 11.996 2.430 0.388
70 HG2 ARG 9 2HG ARG 9 14.119 1.414 -0.239
71 HG3 ARG 9 1HG ARG 9 13.992 2.143 -1.843
72 HD2 ARG 9 2HD ARG 9 13.960 4.363 -0.828
73 HD3 ARG 9 1HD ARG 9 14.086 3.616 0.761
74 HE ARG 9 HE ARG 9 16.227 2.781 -0.849
75 HH11 ARG 9 1HH1 ARG 9 15.034 5.637 0.851
76 HH12 ARG 9 2HH1 ARG 9 16.564 6.299 1.133
77 HH21 ARG 9 1HH2 ARG 9 18.337 3.686 -0.492
78 HH22 ARG 9 2HH2 ARG 9 18.510 5.168 0.328
79 H GLY 10 H GLY 10 10.896 -1.264 -1.795
80 HA2 GLY 10 2HA GLY 10 11.821 -3.319 -1.119
81 HA3 GLY 10 1HA GLY 10 12.591 -2.492 0.232
82 H VAL 11 H VAL 11 10.048 -1.142 0.902
83 HA VAL 11 HA VAL 11 8.941 -3.310 2.471
84 HB VAL 11 HB VAL 11 8.237 -0.355 2.516
85 HG11 VAL 11 1HG1 VAL 11 7.227 -0.825 4.705
86 HG12 VAL 11 2HG1 VAL 11 7.602 -2.537 4.509
87 HG13 VAL 11 3HG1 VAL 11 6.450 -1.762 3.424
88 HG21 VAL 11 3HG2 VAL 11 9.617 -0.236 4.548
89 HG22 VAL 11 1HG2 VAL 11 10.568 -0.694 3.135
90 HG23 VAL 11 2HG2 VAL 11 10.090 -1.917 4.317
91 H ABA 12 H ABA 12 7.664 -4.514 1.191
92 HA ABA 12 HA ABA 12 5.771 -3.283 -0.624
93 HB3 ABA 12 1HB ABA 12 6.260 -6.195 0.084
94 HB2 ABA 12 2HB ABA 12 7.006 -5.354 -1.267
95 HG1 ABA 12 3HG ABA 12 4.825 -5.047 -2.294
96 HG3 ABA 12 1HG ABA 12 4.067 -5.884 -0.939
97 HG2 ABA 12 2HG ABA 12 5.169 -6.753 -2.004
98 H ARG 13 H ARG 13 3.854 -2.634 0.149
99 HA ARG 13 HA ARG 13 2.724 -4.129 2.400
100 HB2 ARG 13 2HB ARG 13 3.831 -2.068 3.208
101 HB3 ARG 13 1HB ARG 13 2.788 -1.121 2.159
102 HG2 ARG 13 2HG ARG 13 1.955 -1.037 4.412
103 HG3 ARG 13 1HG ARG 13 0.832 -1.951 3.406
104 HD2 ARG 13 2HD ARG 13 1.189 -3.034 5.591
105 HD3 ARG 13 1HD ARG 13 1.731 -4.045 4.262
106 HE ARG 13 HE ARG 13 3.966 -3.612 4.844
107 HH11 ARG 13 1HH1 ARG 13 1.684 -2.212 7.181
108 HH12 ARG 13 2HH1 ARG 13 2.862 -2.051 8.404
109 HH21 ARG 13 1HH2 ARG 13 5.532 -3.387 6.563
110 HH22 ARG 13 2HH2 ARG 13 5.022 -2.709 8.064
111 H ABA 14 H ABA 14 0.647 -4.651 2.080
112 HA ABA 14 HA ABA 14 -0.733 -3.403 -0.154
113 HB3 ABA 14 1HB ABA 14 -1.465 -5.840 1.488
114 HB2 ABA 14 2HB ABA 14 -0.644 -5.881 -0.069
115 HG1 ABA 14 3HG ABA 14 -2.994 -6.398 -0.326
116 HG3 ABA 14 1HG ABA 14 -2.606 -4.875 -1.128
117 HG2 ABA 14 2HG ABA 14 -3.417 -4.867 0.440
118 H VAL 15 H VAL 15 -1.846 -1.678 0.348
119 HA VAL 15 HA VAL 15 -3.005 -1.478 3.021
120 HB VAL 15 HB VAL 15 -3.299 0.965 2.554
121 HG11 VAL 15 1HG1 VAL 15 -1.316 0.199 3.728
122 HG12 VAL 15 2HG1 VAL 15 -0.926 1.583 2.699
123 HG13 VAL 15 3HG1 VAL 15 -0.479 -0.044 2.195
124 HG21 VAL 15 3HG2 VAL 15 -2.159 1.991 0.623
125 HG22 VAL 15 1HG2 VAL 15 -3.440 0.895 0.107
126 HG23 VAL 15 2HG2 VAL 15 -1.754 0.389 0.009
127 H CYS 16 H CYS 16 -5.139 -1.459 3.335
128 HA CYS 16 HA CYS 16 -6.786 -1.686 0.920
129 HB2 CYS 16 2HB CYS 16 -7.154 -3.103 3.559
130 HB3 CYS 16 1HB CYS 16 -8.193 -3.243 2.146
131 H ARG 17 H ARG 17 -8.594 -0.574 0.799
132 HA ARG 17 HA ARG 17 -9.688 0.659 3.180
133 HB2 ARG 17 2HB ARG 17 -10.059 2.798 1.959
134 HB3 ARG 17 1HB ARG 17 -8.365 2.443 2.216
135 HG2 ARG 17 2HG ARG 17 -8.183 1.685 -0.116
136 HG3 ARG 17 1HG ARG 17 -9.886 2.075 -0.357
137 HD2 ARG 17 2HD ARG 17 -9.411 4.408 0.245
138 HD3 ARG 17 1HD ARG 17 -7.702 4.003 0.400
139 HE ARG 17 HE ARG 17 -8.694 3.252 -2.124
140 HH11 ARG 17 1HH1 ARG 17 -7.793 6.133 -0.289
141 HH12 ARG 17 2HH1 ARG 17 -7.390 7.059 -1.661
142 HH21 ARG 17 1HH2 ARG 17 -8.166 4.502 -3.995
143 HH22 ARG 17 2HH2 ARG 17 -7.622 6.107 -3.836
144 H ARG 18 H ARG 18 -11.543 -0.229 3.351
145 HA ARG 18 HA ARG 18 -13.565 -1.125 2.994
146 HB2 ARG 18 2HB ARG 18 -13.964 1.299 2.353
147 HB3 ARG 18 1HB ARG 18 -13.769 0.816 0.675
148 HG2 ARG 18 2HG ARG 18 -15.707 -0.645 0.856
149 HG3 ARG 18 1HG ARG 18 -15.885 -0.214 2.556
150 HD2 ARG 18 2HD ARG 18 -17.450 1.070 1.287
151 HD3 ARG 18 1HD ARG 18 -16.177 2.143 1.858
152 HE ARG 18 HE ARG 18 -15.610 1.173 -0.733
153 HH11 ARG 18 1HH1 ARG 18 -17.549 3.606 0.982
154 HH12 ARG 18 2HH1 ARG 18 -17.840 4.554 -0.399
155 HH21 ARG 18 1HH2 ARG 18 -16.004 2.482 -2.610
156 HH22 ARG 18 2HH2 ARG 18 -16.903 3.925 -2.495
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -12.071 -3.215 1.276
2 HA2 GLY 1 2HA GLY 1 -12.341 -4.745 -0.423
3 HA3 GLY 1 1HA GLY 1 -13.538 -3.693 -1.144
4 H VAL 2 H VAL 2 -10.653 -1.993 -0.545
5 HA VAL 2 HA VAL 2 -9.688 -2.636 -3.240
6 HB VAL 2 HB VAL 2 -9.607 0.111 -1.944
7 HG11 VAL 2 1HG1 VAL 2 -8.820 0.898 -4.126
8 HG12 VAL 2 2HG1 VAL 2 -8.823 -0.758 -4.724
9 HG13 VAL 2 3HG1 VAL 2 -7.720 -0.294 -3.430
10 HG21 VAL 2 3HG2 VAL 2 -11.327 -0.879 -4.221
11 HG22 VAL 2 1HG2 VAL 2 -11.224 0.793 -3.667
12 HG23 VAL 2 2HG2 VAL 2 -11.887 -0.453 -2.609
13 H CYS 3 H CYS 3 -7.814 -3.644 -3.042
14 HA CYS 3 HA CYS 3 -6.006 -2.964 -0.854
15 HB2 CYS 3 2HB CYS 3 -5.895 -5.197 -2.888
16 HB3 CYS 3 1HB CYS 3 -4.680 -4.916 -1.646
17 H ARG 4 H ARG 4 -4.730 -1.385 -1.105
18 HA ARG 4 HA ARG 4 -3.561 -0.941 -3.749
19 HB2 ARG 4 2HB ARG 4 -3.931 0.955 -1.422
20 HB3 ARG 4 1HB ARG 4 -3.026 1.352 -2.877
21 HG2 ARG 4 2HG ARG 4 -5.038 0.993 -4.227
22 HG3 ARG 4 1HG ARG 4 -5.930 0.606 -2.760
23 HD2 ARG 4 2HD ARG 4 -5.650 2.837 -1.931
24 HD3 ARG 4 1HD ARG 4 -4.570 3.243 -3.272
25 HE ARG 4 HE ARG 4 -6.746 2.455 -4.556
26 HH11 ARG 4 1HH1 ARG 4 -6.394 4.816 -1.910
27 HH12 ARG 4 2HH1 ARG 4 -7.715 5.745 -2.426
28 HH21 ARG 4 1HH2 ARG 4 -8.561 3.770 -5.219
29 HH22 ARG 4 2HH2 ARG 4 -8.965 5.149 -4.300
30 H ABA 5 H ABA 5 -1.719 -1.853 -3.959
31 HA ABA 5 HA ABA 5 0.030 -2.297 -1.684
32 HB3 ABA 5 1HB ABA 5 0.199 -3.237 -4.552
33 HB2 ABA 5 2HB ABA 5 -0.439 -4.170 -3.207
34 HG1 ABA 5 3HG ABA 5 2.413 -3.248 -3.488
35 HG3 ABA 5 1HG ABA 5 1.814 -4.879 -3.784
36 HG2 ABA 5 2HG ABA 5 1.755 -4.203 -2.160
37 H VAL 6 H VAL 6 1.146 -0.491 -1.215
38 HA VAL 6 HA VAL 6 2.570 0.822 -3.424
39 HB VAL 6 HB VAL 6 2.570 1.671 -0.570
40 HG11 VAL 6 1HG1 VAL 6 3.069 3.215 -3.088
41 HG12 VAL 6 2HG1 VAL 6 4.263 2.689 -1.903
42 HG13 VAL 6 3HG1 VAL 6 3.066 3.912 -1.472
43 HG21 VAL 6 3HG2 VAL 6 0.537 2.573 -2.616
44 HG22 VAL 6 1HG2 VAL 6 0.742 3.296 -1.019
45 HG23 VAL 6 2HG2 VAL 6 0.203 1.623 -1.165
46 H ABA 7 H ABA 7 4.681 0.500 -3.482
47 HA ABA 7 HA ABA 7 5.977 -0.830 -1.223
48 HB3 ABA 7 1HB ABA 7 6.250 -1.799 -4.074
49 HB2 ABA 7 2HB ABA 7 5.260 -2.580 -2.846
50 HG1 ABA 7 3HG ABA 7 7.234 -3.076 -1.530
51 HG3 ABA 7 1HG ABA 7 8.241 -2.228 -2.703
52 HG2 ABA 7 2HG ABA 7 7.406 -3.709 -3.168
53 H ARG 8 H ARG 8 7.705 0.268 -0.669
54 HA ARG 8 HA ARG 8 9.151 1.688 -2.788
55 HB2 ARG 8 2HB ARG 8 8.826 2.609 0.074
56 HB3 ARG 8 1HB ARG 8 9.760 3.414 -1.165
57 HG2 ARG 8 2HG ARG 8 6.765 3.153 -0.976
58 HG3 ARG 8 1HG ARG 8 7.731 4.621 -0.896
59 HD2 ARG 8 2HD ARG 8 7.257 2.864 -3.306
60 HD3 ARG 8 1HD ARG 8 6.654 4.494 -3.049
61 HE ARG 8 HE ARG 8 9.438 4.611 -2.955
62 HH11 ARG 8 1HH1 ARG 8 6.897 3.896 -5.341
63 HH12 ARG 8 2HH1 ARG 8 7.891 4.319 -6.673
64 HH21 ARG 8 1HH2 ARG 8 10.732 5.175 -4.812
65 HH22 ARG 8 2HH2 ARG 8 10.070 5.057 -6.377
66 H ARG 9 H ARG 9 10.669 0.154 -3.121
67 HA ARG 9 HA ARG 9 12.566 -0.970 -2.889
68 HB2 ARG 9 2HB ARG 9 13.424 1.270 -2.273
69 HB3 ARG 9 1HB ARG 9 13.068 0.934 -0.589
70 HG2 ARG 9 2HG ARG 9 14.690 -0.921 -0.653
71 HG3 ARG 9 1HG ARG 9 15.088 -0.486 -2.312
72 HD2 ARG 9 2HD ARG 9 16.710 0.440 -0.770
73 HD3 ARG 9 1HD ARG 9 15.795 1.733 -1.548
74 HE ARG 9 HE ARG 9 14.403 1.548 0.618
75 HH11 ARG 9 1HH1 ARG 9 17.922 1.228 0.406
76 HH12 ARG 9 2HH1 ARG 9 18.199 1.848 1.978
77 HH21 ARG 9 1HH2 ARG 9 14.811 2.406 2.780
78 HH22 ARG 9 2HH2 ARG 9 16.404 2.549 3.322
79 H GLY 10 H GLY 10 10.907 -2.611 -2.174
80 HA2 GLY 10 2HA GLY 10 10.919 -4.652 -1.056
81 HA3 GLY 10 1HA GLY 10 12.088 -3.992 0.078
82 H VAL 11 H VAL 11 10.371 -1.655 0.621
83 HA VAL 11 HA VAL 11 8.838 -2.841 2.745
84 HB VAL 11 HB VAL 11 8.969 0.067 1.890
85 HG11 VAL 11 1HG1 VAL 11 8.103 -1.170 4.506
86 HG12 VAL 11 2HG1 VAL 11 7.050 -0.401 3.316
87 HG13 VAL 11 3HG1 VAL 11 8.251 0.557 4.183
88 HG21 VAL 11 3HG2 VAL 11 10.632 0.349 3.657
89 HG22 VAL 11 1HG2 VAL 11 11.190 -0.775 2.417
90 HG23 VAL 11 2HG2 VAL 11 10.605 -1.387 3.963
91 H ABA 12 H ABA 12 7.005 -3.785 2.182
92 HA ABA 12 HA ABA 12 5.378 -2.566 0.093
93 HB3 ABA 12 1HB ABA 12 5.245 -5.350 1.274
94 HB2 ABA 12 2HB ABA 12 6.016 -4.925 -0.248
95 HG1 ABA 12 3HG ABA 12 3.083 -4.687 0.376
96 HG3 ABA 12 1HG ABA 12 3.845 -5.904 -0.645
97 HG2 ABA 12 2HG ABA 12 3.846 -4.216 -1.145
98 H ARG 13 H ARG 13 3.810 -1.400 0.743
99 HA ARG 13 HA ARG 13 2.445 -2.004 3.254
100 HB2 ARG 13 2HB ARG 13 3.656 0.147 3.321
101 HB3 ARG 13 1HB ARG 13 2.840 0.655 1.854
102 HG2 ARG 13 2HG ARG 13 0.696 0.618 3.035
103 HG3 ARG 13 1HG ARG 13 1.522 0.114 4.509
104 HD2 ARG 13 2HD ARG 13 2.066 2.671 3.005
105 HD3 ARG 13 1HD ARG 13 1.057 2.553 4.442
106 HE ARG 13 HE ARG 13 3.181 1.602 5.484
107 HH11 ARG 13 1HH1 ARG 13 3.203 4.162 2.983
108 HH12 ARG 13 2HH1 ARG 13 4.622 4.874 3.559
109 HH21 ARG 13 1HH2 ARG 13 5.142 2.641 6.237
110 HH22 ARG 13 2HH2 ARG 13 5.726 4.032 5.450
111 H ABA 14 H ABA 14 1.084 -3.440 2.148
112 HA ABA 14 HA ABA 14 -0.627 -2.270 0.108
113 HB3 ABA 14 1HB ABA 14 -0.553 -5.112 1.161
114 HB2 ABA 14 2HB ABA 14 0.270 -4.560 -0.297
115 HG1 ABA 14 3HG ABA 14 -2.705 -4.596 0.165
116 HG3 ABA 14 1HG ABA 14 -1.793 -5.695 -0.871
117 HG2 ABA 14 2HG ABA 14 -1.908 -3.984 -1.283
118 H VAL 15 H VAL 15 -2.189 -1.162 0.809
119 HA VAL 15 HA VAL 15 -3.417 -1.865 3.374
120 HB VAL 15 HB VAL 15 -3.698 0.705 1.799
121 HG11 VAL 15 1HG1 VAL 15 -4.685 1.601 3.869
122 HG12 VAL 15 2HG1 VAL 15 -4.563 0.003 4.604
123 HG13 VAL 15 3HG1 VAL 15 -5.623 0.254 3.218
124 HG21 VAL 15 3HG2 VAL 15 -1.425 0.464 2.605
125 HG22 VAL 15 1HG2 VAL 15 -2.012 0.103 4.229
126 HG23 VAL 15 2HG2 VAL 15 -2.265 1.705 3.540
127 H CYS 16 H CYS 16 -5.079 -3.150 3.122
128 HA CYS 16 HA CYS 16 -6.884 -2.815 0.866
129 HB2 CYS 16 2HB CYS 16 -6.827 -4.875 3.079
130 HB3 CYS 16 1HB CYS 16 -7.930 -4.863 1.711
131 H ARG 17 H ARG 17 -8.191 -1.256 1.065
132 HA ARG 17 HA ARG 17 -9.589 -0.998 3.613
133 HB2 ARG 17 2HB ARG 17 -7.897 0.811 3.335
134 HB3 ARG 17 1HB ARG 17 -8.693 1.286 1.843
135 HG2 ARG 17 2HG ARG 17 -9.308 2.755 3.693
136 HG3 ARG 17 1HG ARG 17 -10.713 1.866 3.099
137 HD2 ARG 17 2HD ARG 17 -10.638 1.942 5.556
138 HD3 ARG 17 1HD ARG 17 -10.530 0.297 4.944
139 HE ARG 17 HE ARG 17 -8.083 1.745 5.622
140 HH11 ARG 17 1HH1 ARG 17 -10.333 -0.893 6.368
141 HH12 ARG 17 2HH1 ARG 17 -9.287 -1.700 7.422
142 HH21 ARG 17 1HH2 ARG 17 -6.599 0.619 7.098
143 HH22 ARG 17 2HH2 ARG 17 -7.103 -0.800 7.873
144 H ARG 18 H ARG 18 -11.604 -1.360 3.334
145 HA ARG 18 HA ARG 18 -13.675 -1.574 2.541
146 HB2 ARG 18 2HB ARG 18 -13.431 0.914 2.747
147 HB3 ARG 18 1HB ARG 18 -13.070 0.972 1.033
148 HG2 ARG 18 2HG ARG 18 -15.292 0.137 0.508
149 HG3 ARG 18 1HG ARG 18 -15.650 -0.026 2.230
150 HD2 ARG 18 2HD ARG 18 -15.309 2.388 2.509
151 HD3 ARG 18 1HD ARG 18 -15.023 2.535 0.775
152 HE ARG 18 HE ARG 18 -17.399 1.456 0.727
153 HH11 ARG 18 1HH1 ARG 18 -16.212 3.990 2.914
154 HH12 ARG 18 2HH1 ARG 18 -17.705 4.757 3.082
155 HH21 ARG 18 1HH2 ARG 18 -19.524 2.541 0.975
156 HH22 ARG 18 2HH2 ARG 18 -19.629 3.922 1.951
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -11.822 -2.774 1.020
2 HA2 GLY 1 2HA GLY 1 -11.886 -4.531 -0.500
3 HA3 GLY 1 1HA GLY 1 -13.009 -3.605 -1.490
4 H VAL 2 H VAL 2 -10.694 -1.463 -0.834
5 HA VAL 2 HA VAL 2 -9.408 -1.985 -3.394
6 HB VAL 2 HB VAL 2 -9.350 0.527 -1.686
7 HG11 VAL 2 1HG1 VAL 2 -7.403 0.336 -3.133
8 HG12 VAL 2 2HG1 VAL 2 -8.469 1.628 -3.693
9 HG13 VAL 2 3HG1 VAL 2 -8.450 0.077 -4.527
10 HG21 VAL 2 3HG2 VAL 2 -10.906 1.487 -3.334
11 HG22 VAL 2 1HG2 VAL 2 -11.611 0.094 -2.512
12 HG23 VAL 2 2HG2 VAL 2 -10.988 -0.074 -4.156
13 H CYS 3 H CYS 3 -7.655 -3.159 -3.200
14 HA CYS 3 HA CYS 3 -5.965 -2.860 -0.857
15 HB2 CYS 3 2HB CYS 3 -6.017 -4.921 -3.057
16 HB3 CYS 3 1HB CYS 3 -4.786 -4.869 -1.795
17 H ARG 4 H ARG 4 -4.566 -1.382 -0.956
18 HA ARG 4 HA ARG 4 -3.290 -0.707 -3.511
19 HB2 ARG 4 2HB ARG 4 -4.509 1.072 -2.284
20 HB3 ARG 4 1HB ARG 4 -3.439 0.827 -0.920
21 HG2 ARG 4 2HG ARG 4 -1.533 1.521 -2.300
22 HG3 ARG 4 1HG ARG 4 -2.635 1.794 -3.651
23 HD2 ARG 4 2HD ARG 4 -2.661 3.199 -0.989
24 HD3 ARG 4 1HD ARG 4 -2.228 3.908 -2.550
25 HE ARG 4 HE ARG 4 -4.600 3.273 -3.176
26 HH11 ARG 4 1HH1 ARG 4 -3.660 4.396 0.060
27 HH12 ARG 4 2HH1 ARG 4 -5.241 4.888 0.479
28 HH21 ARG 4 1HH2 ARG 4 -6.767 3.917 -2.544
29 HH22 ARG 4 2HH2 ARG 4 -7.053 4.547 -1.005
30 H ABA 5 H ABA 5 -1.463 -1.850 -3.675
31 HA ABA 5 HA ABA 5 0.085 -2.466 -1.319
32 HB3 ABA 5 1HB ABA 5 0.549 -3.162 -4.230
33 HB2 ABA 5 2HB ABA 5 -0.271 -4.188 -3.060
34 HG1 ABA 5 3HG ABA 5 1.780 -4.360 -1.757
35 HG3 ABA 5 1HG ABA 5 2.608 -3.334 -2.928
36 HG2 ABA 5 2HG ABA 5 2.017 -4.917 -3.416
37 H VAL 6 H VAL 6 0.946 -0.585 -0.641
38 HA VAL 6 HA VAL 6 2.381 1.027 -2.535
39 HB VAL 6 HB VAL 6 2.986 2.497 -0.578
40 HG11 VAL 6 1HG1 VAL 6 0.722 3.413 -0.274
41 HG12 VAL 6 2HG1 VAL 6 0.052 1.937 -0.955
42 HG13 VAL 6 3HG1 VAL 6 1.049 2.991 -1.954
43 HG21 VAL 6 3HG2 VAL 6 1.781 2.195 1.555
44 HG22 VAL 6 1HG2 VAL 6 2.864 0.841 1.228
45 HG23 VAL 6 2HG2 VAL 6 1.128 0.668 0.962
46 H ABA 7 H ABA 7 4.134 0.290 -3.244
47 HA ABA 7 HA ABA 7 5.937 -1.121 -1.432
48 HB3 ABA 7 1HB ABA 7 5.589 -1.537 -4.406
49 HB2 ABA 7 2HB ABA 7 4.889 -2.571 -3.166
50 HG1 ABA 7 3HG ABA 7 7.114 -3.175 -2.396
51 HG3 ABA 7 1HG ABA 7 7.819 -2.106 -3.604
52 HG2 ABA 7 2HG ABA 7 6.915 -3.535 -4.109
53 H ARG 8 H ARG 8 7.487 0.140 -0.952
54 HA ARG 8 HA ARG 8 8.650 1.865 -3.014
55 HB2 ARG 8 2HB ARG 8 8.475 2.419 -0.035
56 HB3 ARG 8 1HB ARG 8 9.230 3.453 -1.238
57 HG2 ARG 8 2HG ARG 8 6.294 2.776 -1.105
58 HG3 ARG 8 1HG ARG 8 7.028 4.301 -0.600
59 HD2 ARG 8 2HD ARG 8 7.698 4.785 -2.854
60 HD3 ARG 8 1HD ARG 8 7.227 3.171 -3.375
61 HE ARG 8 HE ARG 8 5.161 4.917 -2.305
62 HH11 ARG 8 1HH1 ARG 8 6.656 3.357 -5.113
63 HH12 ARG 8 2HH1 ARG 8 5.314 3.558 -6.125
64 HH21 ARG 8 1HH2 ARG 8 3.314 5.206 -3.709
65 HH22 ARG 8 2HH2 ARG 8 3.379 4.651 -5.324
66 H ARG 9 H ARG 9 9.933 0.228 -3.575
67 HA ARG 9 HA ARG 9 11.655 -1.187 -3.629
68 HB2 ARG 9 2HB ARG 9 12.679 1.060 -3.886
69 HB3 ARG 9 1HB ARG 9 13.060 1.042 -2.167
70 HG2 ARG 9 2HG ARG 9 14.508 -0.853 -2.456
71 HG3 ARG 9 1HG ARG 9 14.037 -1.002 -4.148
72 HD2 ARG 9 2HD ARG 9 14.976 1.261 -4.538
73 HD3 ARG 9 1HD ARG 9 15.568 1.253 -2.872
74 HE ARG 9 HE ARG 9 16.662 -0.929 -3.645
75 HH11 ARG 9 1HH1 ARG 9 16.337 2.014 -5.581
76 HH12 ARG 9 2HH1 ARG 9 17.690 1.721 -6.550
77 HH21 ARG 9 1HH2 ARG 9 18.524 -1.363 -4.980
78 HH22 ARG 9 2HH2 ARG 9 18.995 -0.273 -6.202
79 H GLY 10 H GLY 10 10.654 -2.702 -2.242
80 HA2 GLY 10 2HA GLY 10 11.316 -4.404 -0.752
81 HA3 GLY 10 1HA GLY 10 12.383 -3.254 0.043
82 H VAL 11 H VAL 11 10.459 -1.182 0.418
83 HA VAL 11 HA VAL 11 9.075 -2.316 2.689
84 HB VAL 11 HB VAL 11 9.126 0.560 1.701
85 HG11 VAL 11 1HG1 VAL 11 8.198 -0.577 4.339
86 HG12 VAL 11 2HG1 VAL 11 7.154 0.033 3.069
87 HG13 VAL 11 3HG1 VAL 11 8.247 1.135 3.909
88 HG21 VAL 11 3HG2 VAL 11 10.721 0.953 3.513
89 HG22 VAL 11 1HG2 VAL 11 11.338 -0.243 2.374
90 HG23 VAL 11 2HG2 VAL 11 10.683 -0.760 3.931
91 H ABA 12 H ABA 12 7.385 -3.475 2.090
92 HA ABA 12 HA ABA 12 5.483 -2.294 0.198
93 HB3 ABA 12 1HB ABA 12 6.101 -5.199 0.759
94 HB2 ABA 12 2HB ABA 12 6.597 -4.304 -0.665
95 HG1 ABA 12 3HG ABA 12 4.294 -4.057 -1.352
96 HG3 ABA 12 1HG ABA 12 3.756 -4.882 0.113
97 HG2 ABA 12 2HG ABA 12 4.699 -5.754 -1.093
98 H ARG 13 H ARG 13 3.528 -1.890 0.972
99 HA ARG 13 HA ARG 13 2.503 -3.442 3.229
100 HB2 ARG 13 2HB ARG 13 3.314 -1.205 4.027
101 HB3 ARG 13 1HB ARG 13 2.210 -0.445 2.895
102 HG2 ARG 13 2HG ARG 13 0.319 -1.537 4.081
103 HG3 ARG 13 1HG ARG 13 1.476 -2.149 5.264
104 HD2 ARG 13 2HD ARG 13 2.152 0.179 5.756
105 HD3 ARG 13 1HD ARG 13 0.923 0.741 4.626
106 HE ARG 13 HE ARG 13 0.023 -0.967 6.779
107 HH11 ARG 13 1HH1 ARG 13 0.360 2.345 5.595
108 HH12 ARG 13 2HH1 ARG 13 -0.772 3.000 6.688
109 HH21 ARG 13 1HH2 ARG 13 -1.530 -0.060 8.295
110 HH22 ARG 13 2HH2 ARG 13 -1.871 1.605 8.235
111 H ABA 14 H ABA 14 0.636 -4.356 2.606
112 HA ABA 14 HA ABA 14 -0.731 -3.235 0.295
113 HB3 ABA 14 1HB ABA 14 -1.073 -5.940 1.613
114 HB2 ABA 14 2HB ABA 14 -0.031 -5.636 0.229
115 HG1 ABA 14 3HG ABA 14 -3.022 -5.315 0.293
116 HG3 ABA 14 1HG ABA 14 -2.118 -6.624 -0.472
117 HG2 ABA 14 2HG ABA 14 -1.979 -4.978 -1.092
118 H VAL 15 H VAL 15 -1.968 -1.678 1.044
119 HA VAL 15 HA VAL 15 -3.467 -2.010 3.516
120 HB VAL 15 HB VAL 15 -3.332 0.362 1.634
121 HG11 VAL 15 1HG1 VAL 15 -5.288 0.395 3.052
122 HG12 VAL 15 2HG1 VAL 15 -4.156 1.662 3.535
123 HG13 VAL 15 3HG1 VAL 15 -4.284 0.182 4.485
124 HG21 VAL 15 3HG2 VAL 15 -1.751 -0.169 4.147
125 HG22 VAL 15 1HG2 VAL 15 -1.750 1.338 3.232
126 HG23 VAL 15 2HG2 VAL 15 -1.120 -0.137 2.498
127 H CYS 16 H CYS 16 -5.324 -3.074 3.301
128 HA CYS 16 HA CYS 16 -6.928 -2.674 0.874
129 HB2 CYS 16 2HB CYS 16 -7.036 -4.906 2.914
130 HB3 CYS 16 1HB CYS 16 -8.128 -4.741 1.548
131 H ARG 17 H ARG 17 -8.266 -1.070 1.152
132 HA ARG 17 HA ARG 17 -9.956 -1.127 3.524
133 HB2 ARG 17 2HB ARG 17 -8.728 1.346 2.293
134 HB3 ARG 17 1HB ARG 17 -9.974 1.366 3.524
135 HG2 ARG 17 2HG ARG 17 -8.416 0.237 5.069
136 HG3 ARG 17 1HG ARG 17 -7.170 0.304 3.825
137 HD2 ARG 17 2HD ARG 17 -6.862 2.150 5.353
138 HD3 ARG 17 1HD ARG 17 -7.405 2.778 3.796
139 HE ARG 17 HE ARG 17 -9.461 2.253 5.743
140 HH11 ARG 17 1HH1 ARG 17 -7.368 4.671 4.284
141 HH12 ARG 17 2HH1 ARG 17 -8.225 6.016 4.873
142 HH21 ARG 17 1HH2 ARG 17 -10.680 4.098 6.573
143 HH22 ARG 17 2HH2 ARG 17 -10.166 5.679 6.240
144 H ARG 18 H ARG 18 -11.986 -1.147 3.010
145 HA ARG 18 HA ARG 18 -13.950 -1.050 1.916
146 HB2 ARG 18 2HB ARG 18 -13.361 1.399 1.874
147 HB3 ARG 18 1HB ARG 18 -12.650 1.163 0.294
148 HG2 ARG 18 2HG ARG 18 -14.834 0.579 -0.616
149 HG3 ARG 18 1HG ARG 18 -15.560 0.790 0.985
150 HD2 ARG 18 2HD ARG 18 -14.881 3.113 1.002
151 HD3 ARG 18 1HD ARG 18 -14.104 2.915 -0.568
152 HE ARG 18 HE ARG 18 -16.710 2.148 -0.929
153 HH11 ARG 18 1HH1 ARG 18 -15.054 5.093 0.079
154 HH12 ARG 18 2HH1 ARG 18 -16.262 6.136 -0.479
155 HH21 ARG 18 1HH2 ARG 18 -18.352 3.569 -1.707
156 HH22 ARG 18 2HH2 ARG 18 -18.198 5.256 -1.510
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -10.752 -1.206 2.156
2 HA2 GLY 1 2HA GLY 1 -11.377 -3.504 2.133
3 HA3 GLY 1 1HA GLY 1 -12.697 -3.098 1.047
4 H VAL 2 H VAL 2 -10.625 -1.378 -0.472
5 HA VAL 2 HA VAL 2 -9.895 -3.573 -2.226
6 HB VAL 2 HB VAL 2 -9.558 -0.587 -2.675
7 HG11 VAL 2 1HG1 VAL 2 -9.335 -1.209 -5.048
8 HG12 VAL 2 2HG1 VAL 2 -9.411 -2.914 -4.593
9 HG13 VAL 2 3HG1 VAL 2 -8.064 -1.918 -4.047
10 HG21 VAL 2 3HG2 VAL 2 -11.557 -0.738 -4.102
11 HG22 VAL 2 1HG2 VAL 2 -11.921 -1.153 -2.427
12 HG23 VAL 2 2HG2 VAL 2 -11.754 -2.427 -3.633
13 H CYS 3 H CYS 3 -8.060 -4.487 -1.920
14 HA CYS 3 HA CYS 3 -5.973 -3.108 -0.444
15 HB2 CYS 3 2HB CYS 3 -6.374 -6.017 -1.082
16 HB3 CYS 3 1HB CYS 3 -5.098 -5.353 -0.063
17 H ARG 4 H ARG 4 -4.643 -2.029 -1.531
18 HA ARG 4 HA ARG 4 -3.735 -3.060 -4.116
19 HB2 ARG 4 2HB ARG 4 -4.735 -0.810 -4.159
20 HB3 ARG 4 1HB ARG 4 -3.564 -0.271 -2.966
21 HG2 ARG 4 2HG ARG 4 -1.745 -0.681 -4.559
22 HG3 ARG 4 1HG ARG 4 -2.927 -1.216 -5.762
23 HD2 ARG 4 2HD ARG 4 -2.788 1.526 -4.503
24 HD3 ARG 4 1HD ARG 4 -2.236 1.106 -6.127
25 HE ARG 4 HE ARG 4 -4.799 0.311 -6.133
26 HH11 ARG 4 1HH1 ARG 4 -3.289 3.403 -5.269
27 HH12 ARG 4 2HH1 ARG 4 -4.620 4.345 -5.788
28 HH21 ARG 4 1HH2 ARG 4 -6.604 1.659 -6.873
29 HH22 ARG 4 2HH2 ARG 4 -6.483 3.351 -6.692
30 H ABA 5 H ABA 5 -1.754 -3.867 -4.179
31 HA ABA 5 HA ABA 5 0.002 -3.655 -1.896
32 HB3 ABA 5 1HB ABA 5 0.367 -5.023 -4.569
33 HB2 ABA 5 2HB ABA 5 -0.250 -5.792 -3.116
34 HG1 ABA 5 3HG ABA 5 2.514 -4.673 -3.491
35 HG3 ABA 5 1HG ABA 5 2.068 -6.379 -3.473
36 HG2 ABA 5 2HG ABA 5 1.897 -5.405 -2.010
37 H VAL 6 H VAL 6 1.237 -1.926 -1.638
38 HA VAL 6 HA VAL 6 2.374 -0.784 -4.060
39 HB VAL 6 HB VAL 6 0.741 0.720 -3.263
40 HG11 VAL 6 1HG1 VAL 6 0.900 1.862 -1.038
41 HG12 VAL 6 2HG1 VAL 6 2.210 0.756 -0.624
42 HG13 VAL 6 3HG1 VAL 6 0.585 0.128 -0.922
43 HG21 VAL 6 3HG2 VAL 6 2.644 1.796 -4.242
44 HG22 VAL 6 1HG2 VAL 6 3.500 1.796 -2.703
45 HG23 VAL 6 2HG2 VAL 6 2.076 2.805 -2.910
46 H ABA 7 H ABA 7 4.348 -0.132 -4.007
47 HA ABA 7 HA ABA 7 6.010 -1.333 -1.903
48 HB3 ABA 7 1HB ABA 7 6.865 -0.359 -4.639
49 HB2 ABA 7 2HB ABA 7 6.473 -2.030 -4.249
50 HG1 ABA 7 3HG ABA 7 8.884 -1.673 -4.298
51 HG3 ABA 7 1HG ABA 7 8.345 -2.099 -2.675
52 HG2 ABA 7 2HG ABA 7 8.737 -0.424 -3.067
53 H ARG 8 H ARG 8 6.458 0.014 -0.332
54 HA ARG 8 HA ARG 8 7.538 2.658 -0.958
55 HB2 ARG 8 2HB ARG 8 5.702 1.990 1.366
56 HB3 ARG 8 1HB ARG 8 6.419 3.541 1.015
57 HG2 ARG 8 2HG ARG 8 5.039 3.862 -0.900
58 HG3 ARG 8 1HG ARG 8 4.452 2.199 -0.819
59 HD2 ARG 8 2HD ARG 8 3.955 4.372 1.215
60 HD3 ARG 8 1HD ARG 8 2.779 3.711 0.078
61 HE ARG 8 HE ARG 8 3.962 1.687 1.661
62 HH11 ARG 8 1HH1 ARG 8 1.342 4.086 1.711
63 HH12 ARG 8 2HH1 ARG 8 0.515 3.349 2.990
64 HH21 ARG 8 1HH2 ARG 8 2.864 0.704 3.391
65 HH22 ARG 8 2HH2 ARG 8 1.393 1.331 3.976
66 H ARG 9 H ARG 9 9.311 3.064 0.306
67 HA ARG 9 HA ARG 9 11.107 2.691 1.585
68 HB2 ARG 9 2HB ARG 9 9.388 2.925 3.392
69 HB3 ARG 9 1HB ARG 9 9.146 1.198 3.367
70 HG2 ARG 9 2HG ARG 9 10.486 1.982 5.301
71 HG3 ARG 9 1HG ARG 9 11.355 0.830 4.295
72 HD2 ARG 9 2HD ARG 9 11.680 3.785 3.915
73 HD3 ARG 9 1HD ARG 9 12.605 2.930 5.142
74 HE ARG 9 HE ARG 9 13.238 1.450 3.134
75 HH11 ARG 9 1HH1 ARG 9 12.916 4.962 3.062
76 HH12 ARG 9 2HH1 ARG 9 13.975 5.184 1.757
77 HH21 ARG 9 1HH2 ARG 9 14.710 1.732 1.353
78 HH22 ARG 9 2HH2 ARG 9 15.005 3.296 0.739
79 H GLY 10 H GLY 10 10.349 0.822 -0.493
80 HA2 GLY 10 2HA GLY 10 11.417 -0.948 -1.511
81 HA3 GLY 10 1HA GLY 10 12.482 -1.027 -0.118
82 H VAL 11 H VAL 11 9.015 -1.245 0.262
83 HA VAL 11 HA VAL 11 9.148 -4.120 0.200
84 HB VAL 11 HB VAL 11 9.671 -3.538 2.552
85 HG11 VAL 11 1HG1 VAL 11 8.526 -1.427 2.773
86 HG12 VAL 11 2HG1 VAL 11 7.984 -2.545 4.023
87 HG13 VAL 11 3HG1 VAL 11 6.966 -2.231 2.619
88 HG21 VAL 11 3HG2 VAL 11 8.545 -5.631 2.133
89 HG22 VAL 11 1HG2 VAL 11 6.975 -4.825 2.176
90 HG23 VAL 11 2HG2 VAL 11 7.952 -4.936 3.643
91 H ABA 12 H ABA 12 7.383 -5.034 -0.535
92 HA ABA 12 HA ABA 12 5.245 -3.340 -1.479
93 HB3 ABA 12 1HB ABA 12 4.413 -5.437 -2.542
94 HB2 ABA 12 2HB ABA 12 5.743 -6.312 -1.796
95 HG1 ABA 12 3HG ABA 12 6.242 -5.828 -4.105
96 HG3 ABA 12 1HG ABA 12 7.340 -4.940 -3.046
97 HG2 ABA 12 2HG ABA 12 5.996 -4.105 -3.820
98 H ARG 13 H ARG 13 3.920 -2.770 0.055
99 HA ARG 13 HA ARG 13 2.979 -4.795 1.965
100 HB2 ARG 13 2HB ARG 13 4.347 -2.645 2.689
101 HB3 ARG 13 1HB ARG 13 2.825 -1.822 2.421
102 HG2 ARG 13 2HG ARG 13 3.217 -4.105 4.354
103 HG3 ARG 13 1HG ARG 13 3.316 -2.409 4.797
104 HD2 ARG 13 2HD ARG 13 0.975 -2.120 4.126
105 HD3 ARG 13 1HD ARG 13 0.883 -3.828 3.704
106 HE ARG 13 HE ARG 13 1.807 -3.603 6.327
107 HH11 ARG 13 1HH1 ARG 13 -1.230 -3.147 4.511
108 HH12 ARG 13 2HH1 ARG 13 -2.205 -3.369 5.881
109 HH21 ARG 13 1HH2 ARG 13 0.383 -3.990 8.168
110 HH22 ARG 13 2HH2 ARG 13 -1.307 -3.862 7.939
111 H ABA 14 H ABA 14 0.856 -5.171 1.915
112 HA ABA 14 HA ABA 14 -0.722 -4.007 -0.184
113 HB3 ABA 14 1HB ABA 14 -1.412 -6.024 1.943
114 HB2 ABA 14 2HB ABA 14 -0.778 -6.422 0.354
115 HG1 ABA 14 3HG ABA 14 -3.391 -5.100 0.950
116 HG3 ABA 14 1HG ABA 14 -3.164 -6.775 0.448
117 HG2 ABA 14 2HG ABA 14 -2.780 -5.464 -0.668
118 H VAL 15 H VAL 15 -1.817 -2.195 0.065
119 HA VAL 15 HA VAL 15 -2.623 -1.434 2.766
120 HB VAL 15 HB VAL 15 -2.230 0.324 0.317
121 HG11 VAL 15 1HG1 VAL 15 -3.995 1.177 1.819
122 HG12 VAL 15 2HG1 VAL 15 -2.575 2.216 1.813
123 HG13 VAL 15 3HG1 VAL 15 -2.861 1.124 3.167
124 HG21 VAL 15 3HG2 VAL 15 -0.604 0.081 2.842
125 HG22 VAL 15 1HG2 VAL 15 -0.308 1.227 1.536
126 HG23 VAL 15 2HG2 VAL 15 -0.129 -0.509 1.251
127 H CYS 16 H CYS 16 -4.681 -1.615 3.179
128 HA CYS 16 HA CYS 16 -6.543 -1.932 0.951
129 HB2 CYS 16 2HB CYS 16 -6.920 -2.570 3.870
130 HB3 CYS 16 1HB CYS 16 -8.053 -2.944 2.572
131 H ARG 17 H ARG 17 -7.673 -0.441 0.255
132 HA ARG 17 HA ARG 17 -8.352 1.795 2.032
133 HB2 ARG 17 2HB ARG 17 -8.027 1.766 -0.986
134 HB3 ARG 17 1HB ARG 17 -8.420 3.165 -0.002
135 HG2 ARG 17 2HG ARG 17 -5.823 1.630 0.109
136 HG3 ARG 17 1HG ARG 17 -6.067 3.160 -0.731
137 HD2 ARG 17 2HD ARG 17 -6.386 2.699 2.233
138 HD3 ARG 17 1HD ARG 17 -5.008 3.485 1.457
139 HE ARG 17 HE ARG 17 -6.987 4.975 0.577
140 HH11 ARG 17 1HH1 ARG 17 -6.310 3.866 3.885
141 HH12 ARG 17 2HH1 ARG 17 -7.114 5.159 4.625
142 HH21 ARG 17 1HH2 ARG 17 -8.064 6.765 1.606
143 HH22 ARG 17 2HH2 ARG 17 -8.139 6.851 3.307
144 H ARG 18 H ARG 18 -10.352 1.400 2.647
145 HA ARG 18 HA ARG 18 -12.523 0.922 2.729
146 HB2 ARG 18 2HB ARG 18 -12.521 2.869 1.116
147 HB3 ARG 18 1HB ARG 18 -12.574 1.711 -0.197
148 HG2 ARG 18 2HG ARG 18 -14.736 0.923 0.533
149 HG3 ARG 18 1HG ARG 18 -14.665 1.985 1.941
150 HD2 ARG 18 2HD ARG 18 -14.655 2.898 -0.932
151 HD3 ARG 18 1HD ARG 18 -16.063 2.902 0.126
152 HE ARG 18 HE ARG 18 -14.166 4.310 1.479
153 HH11 ARG 18 1HH1 ARG 18 -15.692 4.629 -1.711
154 HH12 ARG 18 2HH1 ARG 18 -15.576 6.313 -1.754
155 HH21 ARG 18 1HH2 ARG 18 -14.012 6.626 1.420
156 HH22 ARG 18 2HH2 ARG 18 -14.574 7.491 0.068
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -11.666 -2.550 1.037
2 HA2 GLY 1 2HA GLY 1 -11.691 -4.754 0.218
3 HA3 GLY 1 1HA GLY 1 -12.907 -4.279 -0.967
4 H VAL 2 H VAL 2 -10.781 -1.840 -0.964
5 HA VAL 2 HA VAL 2 -9.433 -2.862 -3.327
6 HB VAL 2 HB VAL 2 -9.573 -0.033 -2.232
7 HG11 VAL 2 1HG1 VAL 2 -8.588 -1.046 -4.901
8 HG12 VAL 2 2HG1 VAL 2 -7.597 -0.377 -3.604
9 HG13 VAL 2 3HG1 VAL 2 -8.754 0.651 -4.446
10 HG21 VAL 2 3HG2 VAL 2 -11.778 -0.812 -2.936
11 HG22 VAL 2 1HG2 VAL 2 -11.122 -1.288 -4.499
12 HG23 VAL 2 2HG2 VAL 2 -11.169 0.414 -4.047
13 H CYS 3 H CYS 3 -7.617 -3.864 -2.858
14 HA CYS 3 HA CYS 3 -5.930 -2.983 -0.674
15 HB2 CYS 3 2HB CYS 3 -5.798 -5.386 -2.498
16 HB3 CYS 3 1HB CYS 3 -4.617 -5.022 -1.246
17 H ARG 4 H ARG 4 -4.570 -1.460 -1.049
18 HA ARG 4 HA ARG 4 -3.295 -1.362 -3.678
19 HB2 ARG 4 2HB ARG 4 -4.646 0.647 -3.036
20 HB3 ARG 4 1HB ARG 4 -3.577 0.873 -1.657
21 HG2 ARG 4 2HG ARG 4 -1.687 1.182 -3.191
22 HG3 ARG 4 1HG ARG 4 -2.776 0.976 -4.562
23 HD2 ARG 4 2HD ARG 4 -4.070 2.914 -3.814
24 HD3 ARG 4 1HD ARG 4 -2.960 3.131 -2.464
25 HE ARG 4 HE ARG 4 -1.882 3.174 -5.172
26 HH11 ARG 4 1HH1 ARG 4 -2.647 4.951 -2.214
27 HH12 ARG 4 2HH1 ARG 4 -1.962 6.416 -2.713
28 HH21 ARG 4 1HH2 ARG 4 -0.865 5.176 -5.872
29 HH22 ARG 4 2HH2 ARG 4 -0.906 6.537 -4.856
30 H ABA 5 H ABA 5 -1.257 -1.885 -3.689
31 HA ABA 5 HA ABA 5 0.137 -2.106 -1.135
32 HB3 ABA 5 1HB ABA 5 0.712 -3.484 -3.769
33 HB2 ABA 5 2HB ABA 5 -0.144 -4.215 -2.418
34 HG1 ABA 5 3HG ABA 5 1.860 -4.024 -1.038
35 HG3 ABA 5 1HG ABA 5 2.725 -3.305 -2.396
36 HG2 ABA 5 2HG ABA 5 2.157 -4.973 -2.495
37 H VAL 6 H VAL 6 1.036 -0.186 -0.873
38 HA VAL 6 HA VAL 6 2.505 0.937 -3.100
39 HB VAL 6 HB VAL 6 2.824 2.977 -1.594
40 HG11 VAL 6 1HG1 VAL 6 0.544 3.808 -1.947
41 HG12 VAL 6 2HG1 VAL 6 -0.004 2.160 -2.235
42 HG13 VAL 6 3HG1 VAL 6 1.133 2.915 -3.352
43 HG21 VAL 6 3HG2 VAL 6 0.790 1.521 0.109
44 HG22 VAL 6 1HG2 VAL 6 1.226 3.223 0.283
45 HG23 VAL 6 2HG2 VAL 6 2.433 1.979 0.574
46 H ABA 7 H ABA 7 4.447 0.313 -3.359
47 HA ABA 7 HA ABA 7 5.875 -0.956 -1.246
48 HB3 ABA 7 1HB ABA 7 7.420 -1.490 -3.045
49 HB2 ABA 7 2HB ABA 7 6.486 -0.500 -4.157
50 HG1 ABA 7 3HG ABA 7 6.001 -2.884 -4.434
51 HG3 ABA 7 1HG ABA 7 4.580 -1.967 -3.919
52 HG2 ABA 7 2HG ABA 7 5.460 -2.946 -2.753
53 H ARG 8 H ARG 8 7.681 -0.186 -0.357
54 HA ARG 8 HA ARG 8 8.703 2.346 -1.386
55 HB2 ARG 8 2HB ARG 8 7.576 2.437 0.925
56 HB3 ARG 8 1HB ARG 8 8.932 1.486 1.505
57 HG2 ARG 8 2HG ARG 8 9.453 3.726 2.014
58 HG3 ARG 8 1HG ARG 8 10.437 3.314 0.616
59 HD2 ARG 8 2HD ARG 8 7.884 4.948 0.632
60 HD3 ARG 8 1HD ARG 8 9.507 5.539 0.305
61 HE ARG 8 HE ARG 8 7.747 4.057 -1.470
62 HH11 ARG 8 1HH1 ARG 8 10.966 5.518 -1.025
63 HH12 ARG 8 2HH1 ARG 8 11.390 5.369 -2.671
64 HH21 ARG 8 1HH2 ARG 8 8.368 3.877 -3.731
65 HH22 ARG 8 2HH2 ARG 8 9.898 4.428 -4.226
66 H ARG 9 H ARG 9 9.750 0.759 -2.733
67 HA ARG 9 HA ARG 9 11.475 -0.399 -3.504
68 HB2 ARG 9 2HB ARG 9 12.640 1.701 -2.724
69 HB3 ARG 9 1HB ARG 9 13.105 0.824 -1.271
70 HG2 ARG 9 2HG ARG 9 14.252 -0.845 -2.698
71 HG3 ARG 9 1HG ARG 9 13.867 0.146 -4.106
72 HD2 ARG 9 2HD ARG 9 15.086 2.028 -2.963
73 HD3 ARG 9 1HD ARG 9 15.612 0.843 -1.766
74 HE ARG 9 HE ARG 9 16.120 0.216 -4.535
75 HH11 ARG 9 1HH1 ARG 9 17.448 1.285 -1.453
76 HH12 ARG 9 2HH1 ARG 9 19.068 1.261 -1.940
77 HH21 ARG 9 1HH2 ARG 9 18.311 0.146 -5.261
78 HH22 ARG 9 2HH2 ARG 9 19.582 0.612 -4.222
79 H GLY 10 H GLY 10 10.293 -2.274 -2.725
80 HA2 GLY 10 2HA GLY 10 10.859 -4.494 -2.174
81 HA3 GLY 10 1HA GLY 10 12.032 -3.886 -1.010
82 H VAL 11 H VAL 11 10.427 -2.065 0.292
83 HA VAL 11 HA VAL 11 8.978 -3.845 2.022
84 HB VAL 11 HB VAL 11 9.272 -0.830 2.162
85 HG11 VAL 11 1HG1 VAL 11 8.582 -1.053 4.502
86 HG12 VAL 11 2HG1 VAL 11 8.335 -2.782 4.267
87 HG13 VAL 11 3HG1 VAL 11 7.322 -1.625 3.409
88 HG21 VAL 11 3HG2 VAL 11 10.801 -3.019 3.564
89 HG22 VAL 11 1HG2 VAL 11 10.959 -1.295 3.894
90 HG23 VAL 11 2HG2 VAL 11 11.421 -1.936 2.319
91 H ABA 12 H ABA 12 7.109 -4.517 1.264
92 HA ABA 12 HA ABA 12 5.381 -2.833 -0.315
93 HB3 ABA 12 1HB ABA 12 3.936 -4.827 -0.420
94 HB2 ABA 12 2HB ABA 12 4.975 -5.640 0.740
95 HG1 ABA 12 3HG ABA 12 5.423 -6.423 -1.499
96 HG3 ABA 12 1HG ABA 12 6.823 -5.568 -0.862
97 HG2 ABA 12 2HG ABA 12 5.769 -4.784 -2.037
98 H ARG 13 H ARG 13 3.972 -1.435 0.637
99 HA ARG 13 HA ARG 13 2.899 -2.181 3.251
100 HB2 ARG 13 2HB ARG 13 3.954 0.059 3.115
101 HB3 ARG 13 1HB ARG 13 2.833 0.502 1.831
102 HG2 ARG 13 2HG ARG 13 0.962 0.136 3.426
103 HG3 ARG 13 1HG ARG 13 2.162 -0.140 4.688
104 HD2 ARG 13 2HD ARG 13 3.037 2.129 4.314
105 HD3 ARG 13 1HD ARG 13 1.780 2.396 3.102
106 HE ARG 13 HE ARG 13 0.943 1.579 5.755
107 HH11 ARG 13 1HH1 ARG 13 1.203 4.245 3.419
108 HH12 ARG 13 2HH1 ARG 13 0.132 5.246 4.277
109 HH21 ARG 13 1HH2 ARG 13 -0.557 3.004 6.880
110 HH22 ARG 13 2HH2 ARG 13 -0.890 4.545 6.237
111 H ABA 14 H ABA 14 1.279 -3.543 2.740
112 HA ABA 14 HA ABA 14 -0.558 -2.855 0.605
113 HB3 ABA 14 1HB ABA 14 -0.400 -5.289 2.394
114 HB2 ABA 14 2HB ABA 14 0.247 -5.174 0.762
115 HG1 ABA 14 3HG ABA 14 -2.659 -4.992 1.509
116 HG3 ABA 14 1HG ABA 14 -1.852 -6.391 0.797
117 HG2 ABA 14 2HG ABA 14 -2.004 -4.889 -0.121
118 H VAL 15 H VAL 15 -2.139 -1.542 1.077
119 HA VAL 15 HA VAL 15 -3.452 -1.879 3.661
120 HB VAL 15 HB VAL 15 -2.314 0.294 3.595
121 HG11 VAL 15 1HG1 VAL 15 -2.183 0.692 1.222
122 HG12 VAL 15 2HG1 VAL 15 -2.940 2.070 2.024
123 HG13 VAL 15 3HG1 VAL 15 -3.931 0.915 1.135
124 HG21 VAL 15 3HG2 VAL 15 -5.309 0.581 3.373
125 HG22 VAL 15 1HG2 VAL 15 -4.225 1.794 4.058
126 HG23 VAL 15 2HG2 VAL 15 -4.389 0.217 4.829
127 H CYS 16 H CYS 16 -5.497 -2.532 3.559
128 HA CYS 16 HA CYS 16 -6.843 -2.322 0.963
129 HB2 CYS 16 2HB CYS 16 -7.318 -4.322 3.183
130 HB3 CYS 16 1HB CYS 16 -8.126 -4.291 1.623
131 H ARG 17 H ARG 17 -8.428 -0.937 0.897
132 HA ARG 17 HA ARG 17 -10.173 -0.660 3.209
133 HB2 ARG 17 2HB ARG 17 -8.910 1.649 1.701
134 HB3 ARG 17 1HB ARG 17 -10.314 1.829 2.746
135 HG2 ARG 17 2HG ARG 17 -9.000 1.067 4.652
136 HG3 ARG 17 1HG ARG 17 -7.604 0.844 3.606
137 HD2 ARG 17 2HD ARG 17 -7.522 3.217 3.149
138 HD3 ARG 17 1HD ARG 17 -8.993 3.475 4.095
139 HE ARG 17 HE ARG 17 -7.394 2.265 5.856
140 HH11 ARG 17 1HH1 ARG 17 -6.737 5.067 3.762
141 HH12 ARG 17 2HH1 ARG 17 -5.725 5.820 4.908
142 HH21 ARG 17 1HH2 ARG 17 -6.028 3.307 7.371
143 HH22 ARG 17 2HH2 ARG 17 -5.325 4.821 7.016
144 H ARG 18 H ARG 18 -12.281 -0.628 2.654
145 HA ARG 18 HA ARG 18 -14.180 -0.730 1.442
146 HB2 ARG 18 2HB ARG 18 -13.544 1.478 0.549
147 HB3 ARG 18 1HB ARG 18 -12.533 0.722 -0.658
148 HG2 ARG 18 2HG ARG 18 -14.560 1.603 -1.660
149 HG3 ARG 18 1HG ARG 18 -14.540 -0.150 -1.779
150 HD2 ARG 18 2HD ARG 18 -16.009 1.308 0.414
151 HD3 ARG 18 1HD ARG 18 -16.751 0.952 -1.141
152 HE ARG 18 HE ARG 18 -15.765 -1.423 -0.288
153 HH11 ARG 18 1HH1 ARG 18 -18.017 0.938 1.089
154 HH12 ARG 18 2HH1 ARG 18 -18.943 -0.216 1.939
155 HH21 ARG 18 1HH2 ARG 18 -17.065 -3.015 0.862
156 HH22 ARG 18 2HH2 ARG 18 -18.397 -2.516 1.792
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -11.616 -1.449 1.099
2 HA2 GLY 1 2HA GLY 1 -12.059 -3.677 0.651
3 HA3 GLY 1 1HA GLY 1 -13.193 -3.177 -0.605
4 H VAL 2 H VAL 2 -10.412 -1.442 -0.989
5 HA VAL 2 HA VAL 2 -9.462 -3.241 -3.090
6 HB VAL 2 HB VAL 2 -8.859 -0.296 -2.668
7 HG11 VAL 2 1HG1 VAL 2 -8.383 -2.076 -5.059
8 HG12 VAL 2 2HG1 VAL 2 -7.153 -1.459 -3.957
9 HG13 VAL 2 3HG1 VAL 2 -8.053 -0.345 -4.989
10 HG21 VAL 2 3HG2 VAL 2 -10.420 0.146 -4.522
11 HG22 VAL 2 1HG2 VAL 2 -11.231 -0.573 -3.129
12 HG23 VAL 2 2HG2 VAL 2 -10.860 -1.564 -4.537
13 H CYS 3 H CYS 3 -7.625 -4.287 -2.671
14 HA CYS 3 HA CYS 3 -6.043 -3.385 -0.407
15 HB2 CYS 3 2HB CYS 3 -5.960 -5.988 -1.936
16 HB3 CYS 3 1HB CYS 3 -4.973 -5.600 -0.526
17 H ARG 4 H ARG 4 -4.690 -1.977 -0.799
18 HA ARG 4 HA ARG 4 -3.402 -1.737 -3.402
19 HB2 ARG 4 2HB ARG 4 -3.406 0.117 -1.020
20 HB3 ARG 4 1HB ARG 4 -2.833 0.492 -2.637
21 HG2 ARG 4 2HG ARG 4 -5.064 0.396 -3.516
22 HG3 ARG 4 1HG ARG 4 -5.692 -0.177 -1.970
23 HD2 ARG 4 2HD ARG 4 -6.163 2.183 -2.210
24 HD3 ARG 4 1HD ARG 4 -4.980 1.934 -0.928
25 HE ARG 4 HE ARG 4 -3.871 2.491 -3.515
26 HH11 ARG 4 1HH1 ARG 4 -4.866 3.860 -0.428
27 HH12 ARG 4 2HH1 ARG 4 -4.165 5.390 -0.714
28 HH21 ARG 4 1HH2 ARG 4 -2.832 4.550 -3.878
29 HH22 ARG 4 2HH2 ARG 4 -2.960 5.788 -2.727
30 H ABA 5 H ABA 5 -1.383 -2.419 -3.601
31 HA ABA 5 HA ABA 5 0.161 -2.970 -1.181
32 HB3 ABA 5 1HB ABA 5 0.674 -3.843 -4.035
33 HB2 ABA 5 2HB ABA 5 -0.163 -4.819 -2.833
34 HG1 ABA 5 3HG ABA 5 2.124 -5.531 -3.073
35 HG3 ABA 5 1HG ABA 5 1.865 -4.861 -1.464
36 HG2 ABA 5 2HG ABA 5 2.699 -3.908 -2.698
37 H VAL 6 H VAL 6 0.987 -1.042 -0.651
38 HA VAL 6 HA VAL 6 2.129 0.576 -2.735
39 HB VAL 6 HB VAL 6 2.476 2.344 -1.006
40 HG11 VAL 6 1HG1 VAL 6 -0.320 1.260 -1.210
41 HG12 VAL 6 2HG1 VAL 6 0.465 2.362 -2.343
42 HG13 VAL 6 3HG1 VAL 6 0.101 2.893 -0.700
43 HG21 VAL 6 3HG2 VAL 6 2.692 0.944 0.990
44 HG22 VAL 6 1HG2 VAL 6 1.010 0.441 0.832
45 HG23 VAL 6 2HG2 VAL 6 1.398 2.126 1.192
46 H ABA 7 H ABA 7 4.056 0.251 -3.384
47 HA ABA 7 HA ABA 7 5.955 -1.068 -1.726
48 HB3 ABA 7 1HB ABA 7 5.832 -1.924 -3.931
49 HB2 ABA 7 2HB ABA 7 7.304 -0.961 -3.845
50 HG1 ABA 7 3HG ABA 7 6.224 0.875 -5.005
51 HG3 ABA 7 1HG ABA 7 4.737 -0.064 -5.113
52 HG2 ABA 7 2HG ABA 7 6.187 -0.607 -5.958
53 H ARG 8 H ARG 8 7.107 0.037 -0.412
54 HA ARG 8 HA ARG 8 8.050 2.729 -1.165
55 HB2 ARG 8 2HB ARG 8 7.657 1.646 1.642
56 HB3 ARG 8 1HB ARG 8 8.124 3.276 1.204
57 HG2 ARG 8 2HG ARG 8 5.447 1.988 0.701
58 HG3 ARG 8 1HG ARG 8 5.812 3.214 1.914
59 HD2 ARG 8 2HD ARG 8 6.003 3.567 -1.077
60 HD3 ARG 8 1HD ARG 8 4.699 4.162 -0.056
61 HE ARG 8 HE ARG 8 6.920 5.255 1.037
62 HH11 ARG 8 1HH1 ARG 8 5.641 5.219 -2.270
63 HH12 ARG 8 2HH1 ARG 8 6.213 6.764 -2.675
64 HH21 ARG 8 1HH2 ARG 8 7.718 7.422 0.470
65 HH22 ARG 8 2HH2 ARG 8 7.363 8.054 -1.072
66 H ARG 9 H ARG 9 9.895 1.920 -2.161
67 HA ARG 9 HA ARG 9 12.028 1.252 -2.383
68 HB2 ARG 9 2HB ARG 9 12.375 3.071 -0.730
69 HB3 ARG 9 1HB ARG 9 12.156 1.920 0.573
70 HG2 ARG 9 2HG ARG 9 14.515 2.516 0.239
71 HG3 ARG 9 1HG ARG 9 14.217 0.800 -0.011
72 HD2 ARG 9 2HD ARG 9 15.724 1.771 -1.705
73 HD3 ARG 9 1HD ARG 9 14.251 1.103 -2.406
74 HE ARG 9 HE ARG 9 13.798 3.789 -1.906
75 HH11 ARG 9 1HH1 ARG 9 15.967 1.886 -3.917
76 HH12 ARG 9 2HH1 ARG 9 15.998 2.987 -5.207
77 HH21 ARG 9 1HH2 ARG 9 13.799 5.319 -3.688
78 HH22 ARG 9 2HH2 ARG 9 14.714 4.976 -5.088
79 H GLY 10 H GLY 10 10.624 -0.851 -2.528
80 HA2 GLY 10 2HA GLY 10 11.169 -3.118 -2.523
81 HA3 GLY 10 1HA GLY 10 12.197 -2.849 -1.123
82 H VAL 11 H VAL 11 10.169 -1.427 0.363
83 HA VAL 11 HA VAL 11 8.885 -3.687 1.567
84 HB VAL 11 HB VAL 11 8.469 -0.744 2.168
85 HG11 VAL 11 1HG1 VAL 11 7.925 -3.185 3.852
86 HG12 VAL 11 2HG1 VAL 11 6.717 -2.149 3.098
87 HG13 VAL 11 3HG1 VAL 11 7.737 -1.516 4.387
88 HG21 VAL 11 3HG2 VAL 11 10.418 -2.681 3.408
89 HG22 VAL 11 1HG2 VAL 11 10.119 -1.036 3.970
90 HG23 VAL 11 2HG2 VAL 11 10.825 -1.307 2.380
91 H ABA 12 H ABA 12 7.202 -4.554 0.560
92 HA ABA 12 HA ABA 12 5.308 -2.838 -0.839
93 HB3 ABA 12 1HB ABA 12 4.410 -4.979 -1.738
94 HB2 ABA 12 2HB ABA 12 5.625 -5.849 -0.810
95 HG1 ABA 12 3HG ABA 12 6.298 -5.625 -3.126
96 HG3 ABA 12 1HG ABA 12 7.390 -4.733 -2.066
97 HG2 ABA 12 2HG ABA 12 6.173 -3.871 -3.008
98 H ARG 13 H ARG 13 4.101 -1.963 0.717
99 HA ARG 13 HA ARG 13 3.054 -3.655 2.832
100 HB2 ARG 13 2HB ARG 13 4.038 -1.571 3.529
101 HB3 ARG 13 1HB ARG 13 3.023 -0.668 2.422
102 HG2 ARG 13 2HG ARG 13 1.067 -1.173 3.711
103 HG3 ARG 13 1HG ARG 13 1.982 -2.264 4.755
104 HD2 ARG 13 2HD ARG 13 2.439 0.704 4.472
105 HD3 ARG 13 1HD ARG 13 1.611 -0.078 5.814
106 HE ARG 13 HE ARG 13 4.024 -1.317 5.693
107 HH11 ARG 13 1HH1 ARG 13 3.041 2.058 6.040
108 HH12 ARG 13 2HH1 ARG 13 4.386 2.489 6.993
109 HH21 ARG 13 1HH2 ARG 13 5.915 -0.668 6.981
110 HH22 ARG 13 2HH2 ARG 13 6.017 0.933 7.537
111 H ABA 14 H ABA 14 1.206 -4.600 2.558
112 HA ABA 14 HA ABA 14 -0.676 -3.595 0.583
113 HB3 ABA 14 1HB ABA 14 -0.711 -6.154 2.205
114 HB2 ABA 14 2HB ABA 14 -0.108 -5.995 0.559
115 HG1 ABA 14 3HG ABA 14 -2.343 -5.417 -0.226
116 HG3 ABA 14 1HG ABA 14 -2.958 -5.565 1.423
117 HG2 ABA 14 2HG ABA 14 -2.328 -6.983 0.589
118 H VAL 15 H VAL 15 -2.373 -2.483 1.113
119 HA VAL 15 HA VAL 15 -3.518 -2.737 3.780
120 HB VAL 15 HB VAL 15 -2.155 -0.725 3.900
121 HG11 VAL 15 1HG1 VAL 15 -3.602 0.247 1.441
122 HG12 VAL 15 2HG1 VAL 15 -1.922 -0.276 1.517
123 HG13 VAL 15 3HG1 VAL 15 -2.426 1.173 2.378
124 HG21 VAL 15 3HG2 VAL 15 -5.063 0.019 3.546
125 HG22 VAL 15 1HG2 VAL 15 -3.864 0.967 4.422
126 HG23 VAL 15 2HG2 VAL 15 -4.335 -0.627 5.012
127 H CYS 16 H CYS 16 -5.716 -2.836 3.754
128 HA CYS 16 HA CYS 16 -6.955 -2.573 1.114
129 HB2 CYS 16 2HB CYS 16 -7.929 -4.160 3.501
130 HB3 CYS 16 1HB CYS 16 -8.640 -4.151 1.887
131 H ARG 17 H ARG 17 -7.912 -0.779 0.794
132 HA ARG 17 HA ARG 17 -9.577 0.363 2.934
133 HB2 ARG 17 2HB ARG 17 -7.330 1.582 2.443
134 HB3 ARG 17 1HB ARG 17 -8.057 2.017 0.906
135 HG2 ARG 17 2HG ARG 17 -8.351 3.867 2.355
136 HG3 ARG 17 1HG ARG 17 -9.928 3.083 2.229
137 HD2 ARG 17 2HD ARG 17 -9.513 1.917 4.349
138 HD3 ARG 17 1HD ARG 17 -7.945 2.697 4.472
139 HE ARG 17 HE ARG 17 -10.491 4.167 4.486
140 HH11 ARG 17 1HH1 ARG 17 -7.196 3.781 5.685
141 HH12 ARG 17 2HH1 ARG 17 -7.372 4.889 6.965
142 HH21 ARG 17 1HH2 ARG 17 -10.732 5.729 6.252
143 HH22 ARG 17 2HH2 ARG 17 -9.419 6.036 7.284
144 H ARG 18 H ARG 18 -11.639 0.866 2.172
145 HA ARG 18 HA ARG 18 -13.440 1.024 0.810
146 HB2 ARG 18 2HB ARG 18 -12.169 2.766 -0.448
147 HB3 ARG 18 1HB ARG 18 -11.392 1.521 -1.402
148 HG2 ARG 18 2HG ARG 18 -13.087 2.618 -2.724
149 HG3 ARG 18 1HG ARG 18 -13.595 0.963 -2.396
150 HD2 ARG 18 2HD ARG 18 -15.489 2.431 -2.124
151 HD3 ARG 18 1HD ARG 18 -15.003 1.817 -0.543
152 HE ARG 18 HE ARG 18 -13.738 4.265 -1.130
153 HH11 ARG 18 1HH1 ARG 18 -16.867 2.991 -0.010
154 HH12 ARG 18 2HH1 ARG 18 -17.309 4.452 0.761
155 HH21 ARG 18 1HH2 ARG 18 -14.344 6.195 -0.087
156 HH22 ARG 18 2HH2 ARG 18 -15.828 6.348 0.731
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -11.914 -2.139 1.678
2 HA2 GLY 1 2HA GLY 1 -12.326 -4.100 0.509
3 HA3 GLY 1 1HA GLY 1 -13.456 -3.229 -0.517
4 H VAL 2 H VAL 2 -10.712 -1.381 -0.575
5 HA VAL 2 HA VAL 2 -9.784 -2.874 -2.890
6 HB VAL 2 HB VAL 2 -10.656 -0.672 -3.557
7 HG11 VAL 2 1HG1 VAL 2 -9.588 1.421 -2.904
8 HG12 VAL 2 2HG1 VAL 2 -8.576 0.541 -1.756
9 HG13 VAL 2 3HG1 VAL 2 -10.320 0.596 -1.528
10 HG21 VAL 2 3HG2 VAL 2 -8.816 -1.574 -4.859
11 HG22 VAL 2 1HG2 VAL 2 -7.658 -0.794 -3.783
12 HG23 VAL 2 2HG2 VAL 2 -8.721 0.186 -4.795
13 H CYS 3 H CYS 3 -7.834 -3.647 -2.964
14 HA CYS 3 HA CYS 3 -6.010 -2.946 -0.794
15 HB2 CYS 3 2HB CYS 3 -6.278 -5.490 -2.376
16 HB3 CYS 3 1HB CYS 3 -4.980 -5.167 -1.231
17 H ARG 4 H ARG 4 -4.468 -1.713 -1.377
18 HA ARG 4 HA ARG 4 -3.321 -2.020 -4.063
19 HB2 ARG 4 2HB ARG 4 -3.465 0.471 -2.359
20 HB3 ARG 4 1HB ARG 4 -2.654 0.351 -3.911
21 HG2 ARG 4 2HG ARG 4 -4.814 -0.145 -4.977
22 HG3 ARG 4 1HG ARG 4 -5.607 0.051 -3.411
23 HD2 ARG 4 2HD ARG 4 -5.790 2.098 -4.709
24 HD3 ARG 4 1HD ARG 4 -4.766 2.348 -3.292
25 HE ARG 4 HE ARG 4 -3.475 1.677 -5.803
26 HH11 ARG 4 1HH1 ARG 4 -4.307 4.196 -3.468
27 HH12 ARG 4 2HH1 ARG 4 -3.115 5.291 -4.003
28 HH21 ARG 4 1HH2 ARG 4 -1.855 3.197 -6.558
29 HH22 ARG 4 2HH2 ARG 4 -1.703 4.723 -5.830
30 H ABA 5 H ABA 5 -1.509 -3.095 -3.848
31 HA ABA 5 HA ABA 5 0.109 -2.712 -1.457
32 HB3 ABA 5 1HB ABA 5 0.356 -4.743 -3.685
33 HB2 ABA 5 2HB ABA 5 -0.447 -5.038 -2.147
34 HG1 ABA 5 3HG ABA 5 1.783 -5.998 -2.193
35 HG3 ABA 5 1HG ABA 5 1.661 -4.729 -0.974
36 HG2 ABA 5 2HG ABA 5 2.469 -4.404 -2.506
37 H VAL 6 H VAL 6 1.593 -1.262 -1.546
38 HA VAL 6 HA VAL 6 2.924 -0.836 -4.104
39 HB VAL 6 HB VAL 6 1.568 1.034 -3.759
40 HG11 VAL 6 1HG1 VAL 6 1.791 2.577 -1.790
41 HG12 VAL 6 2HG1 VAL 6 2.886 1.414 -1.053
42 HG13 VAL 6 3HG1 VAL 6 1.203 0.975 -1.345
43 HG21 VAL 6 3HG2 VAL 6 3.207 2.911 -3.739
44 HG22 VAL 6 1HG2 VAL 6 3.696 1.548 -4.748
45 HG23 VAL 6 2HG2 VAL 6 4.428 1.774 -3.164
46 H ABA 7 H ABA 7 4.933 -0.655 -4.133
47 HA ABA 7 HA ABA 7 6.399 -1.580 -1.763
48 HB3 ABA 7 1HB ABA 7 7.328 -1.505 -4.637
49 HB2 ABA 7 2HB ABA 7 6.554 -2.898 -3.890
50 HG1 ABA 7 3HG ABA 7 8.954 -3.177 -3.974
51 HG3 ABA 7 1HG ABA 7 8.391 -3.080 -2.305
52 HG2 ABA 7 2HG ABA 7 9.176 -1.693 -3.053
53 H ARG 8 H ARG 8 7.059 -0.009 -0.585
54 HA ARG 8 HA ARG 8 8.438 2.254 -1.859
55 HB2 ARG 8 2HB ARG 8 6.881 2.132 0.722
56 HB3 ARG 8 1HB ARG 8 7.907 3.481 0.258
57 HG2 ARG 8 2HG ARG 8 6.506 3.929 -1.661
58 HG3 ARG 8 1HG ARG 8 5.510 2.524 -1.281
59 HD2 ARG 8 2HD ARG 8 4.523 4.676 -0.527
60 HD3 ARG 8 1HD ARG 8 4.782 3.517 0.776
61 HE ARG 8 HE ARG 8 7.016 4.938 0.917
62 HH11 ARG 8 1HH1 ARG 8 3.701 6.103 0.523
63 HH12 ARG 8 2HH1 ARG 8 3.894 7.482 1.475
64 HH21 ARG 8 1HH2 ARG 8 7.326 6.853 2.244
65 HH22 ARG 8 2HH2 ARG 8 6.062 7.953 2.442
66 H ARG 9 H ARG 9 10.549 1.929 -1.680
67 HA ARG 9 HA ARG 9 12.581 1.469 -0.910
68 HB2 ARG 9 2HB ARG 9 11.939 3.142 0.847
69 HB3 ARG 9 1HB ARG 9 11.316 1.837 1.832
70 HG2 ARG 9 2HG ARG 9 13.488 2.630 2.614
71 HG3 ARG 9 1HG ARG 9 13.558 0.941 2.105
72 HD2 ARG 9 2HD ARG 9 15.522 2.121 1.315
73 HD3 ARG 9 1HD ARG 9 14.502 1.666 -0.047
74 HE ARG 9 HE ARG 9 13.756 4.214 0.634
75 HH11 ARG 9 1HH1 ARG 9 16.729 2.634 -0.472
76 HH12 ARG 9 2HH1 ARG 9 17.360 4.014 -1.230
77 HH21 ARG 9 1HH2 ARG 9 14.603 6.119 -0.391
78 HH22 ARG 9 2HH2 ARG 9 16.124 6.074 -1.156
79 H GLY 10 H GLY 10 10.875 -0.582 -1.567
80 HA2 GLY 10 2HA GLY 10 11.221 -2.891 -1.680
81 HA3 GLY 10 1HA GLY 10 12.202 -2.778 -0.219
82 H VAL 11 H VAL 11 9.777 -1.128 0.823
83 HA VAL 11 HA VAL 11 8.539 -3.422 2.064
84 HB VAL 11 HB VAL 11 8.016 -0.476 2.554
85 HG11 VAL 11 1HG1 VAL 11 6.201 -1.905 3.322
86 HG12 VAL 11 2HG1 VAL 11 7.069 -1.218 4.696
87 HG13 VAL 11 3HG1 VAL 11 7.342 -2.896 4.231
88 HG21 VAL 11 3HG2 VAL 11 9.475 -0.699 4.519
89 HG22 VAL 11 1HG2 VAL 11 10.347 -0.997 3.016
90 HG23 VAL 11 2HG2 VAL 11 9.860 -2.352 4.036
91 H ABA 12 H ABA 12 7.253 -4.322 0.624
92 HA ABA 12 HA ABA 12 5.292 -2.780 -0.799
93 HB3 ABA 12 1HB ABA 12 6.114 -4.641 -2.051
94 HB2 ABA 12 2HB ABA 12 4.482 -5.072 -1.572
95 HG1 ABA 12 3HG ABA 12 5.957 -6.967 -1.355
96 HG3 ABA 12 1HG ABA 12 5.368 -6.468 0.227
97 HG2 ABA 12 2HG ABA 12 7.010 -6.060 -0.272
98 H ARG 13 H ARG 13 4.047 -1.814 0.499
99 HA ARG 13 HA ARG 13 2.817 -3.191 2.757
100 HB2 ARG 13 2HB ARG 13 3.879 -0.759 2.639
101 HB3 ARG 13 1HB ARG 13 2.305 -0.333 2.004
102 HG2 ARG 13 2HG ARG 13 2.820 -1.602 4.701
103 HG3 ARG 13 1HG ARG 13 2.555 0.107 4.415
104 HD2 ARG 13 2HD ARG 13 0.287 -0.392 3.622
105 HD3 ARG 13 1HD ARG 13 0.559 -2.111 3.915
106 HE ARG 13 HE ARG 13 1.045 -0.417 6.182
107 HH11 ARG 13 1HH1 ARG 13 -1.477 -2.358 4.527
108 HH12 ARG 13 2HH1 ARG 13 -2.421 -2.510 5.910
109 HH21 ARG 13 1HH2 ARG 13 -0.311 -0.662 8.058
110 HH22 ARG 13 2HH2 ARG 13 -1.781 -1.516 7.958
111 H ABA 14 H ABA 14 0.887 -4.058 2.490
112 HA ABA 14 HA ABA 14 -0.689 -3.460 0.116
113 HB3 ABA 14 1HB ABA 14 -1.030 -5.577 2.258
114 HB2 ABA 14 2HB ABA 14 -0.237 -5.822 0.708
115 HG1 ABA 14 3HG ABA 14 -2.343 -5.367 -0.445
116 HG3 ABA 14 1HG ABA 14 -3.138 -5.139 1.111
117 HG2 ABA 14 2HG ABA 14 -2.488 -6.720 0.676
118 H VAL 15 H VAL 15 -1.944 -1.742 0.360
119 HA VAL 15 HA VAL 15 -3.142 -1.206 2.966
120 HB VAL 15 HB VAL 15 -3.213 0.421 0.404
121 HG11 VAL 15 1HG1 VAL 15 -5.128 0.898 1.799
122 HG12 VAL 15 2HG1 VAL 15 -4.005 2.259 1.831
123 HG13 VAL 15 3HG1 VAL 15 -4.085 1.151 3.197
124 HG21 VAL 15 3HG2 VAL 15 -1.594 1.901 1.518
125 HG22 VAL 15 1HG2 VAL 15 -0.951 0.273 1.306
126 HG23 VAL 15 2HG2 VAL 15 -1.536 0.798 2.889
127 H CYS 16 H CYS 16 -4.971 -2.326 3.303
128 HA CYS 16 HA CYS 16 -6.892 -2.529 1.097
129 HB2 CYS 16 2HB CYS 16 -6.581 -4.271 3.547
130 HB3 CYS 16 1HB CYS 16 -7.903 -4.397 2.398
131 H ARG 17 H ARG 17 -8.247 -0.938 1.260
132 HA ARG 17 HA ARG 17 -9.724 -0.671 3.716
133 HB2 ARG 17 2HB ARG 17 -9.554 1.794 3.754
134 HB3 ARG 17 1HB ARG 17 -8.011 1.018 4.038
135 HG2 ARG 17 2HG ARG 17 -7.312 1.516 1.772
136 HG3 ARG 17 1HG ARG 17 -8.886 2.241 1.435
137 HD2 ARG 17 2HD ARG 17 -8.498 3.890 3.204
138 HD3 ARG 17 1HD ARG 17 -6.931 3.164 3.527
139 HE ARG 17 HE ARG 17 -6.235 3.855 1.325
140 HH11 ARG 17 1HH1 ARG 17 -9.181 5.408 2.558
141 HH12 ARG 17 2HH1 ARG 17 -9.010 6.811 1.635
142 HH21 ARG 17 1HH2 ARG 17 -5.957 5.815 0.092
143 HH22 ARG 17 2HH2 ARG 17 -7.110 7.063 0.189
144 H ARG 18 H ARG 18 -11.781 -0.131 3.410
145 HA ARG 18 HA ARG 18 -13.766 -0.040 2.379
146 HB2 ARG 18 2HB ARG 18 -12.936 2.296 1.909
147 HB3 ARG 18 1HB ARG 18 -12.324 1.734 0.368
148 HG2 ARG 18 2HG ARG 18 -14.419 2.950 0.099
149 HG3 ARG 18 1HG ARG 18 -14.605 1.264 -0.371
150 HD2 ARG 18 2HD ARG 18 -15.670 0.778 1.787
151 HD3 ARG 18 1HD ARG 18 -15.459 2.461 2.275
152 HE ARG 18 HE ARG 18 -16.799 2.702 -0.014
153 HH11 ARG 18 1HH1 ARG 18 -17.502 0.716 2.841
154 HH12 ARG 18 2HH1 ARG 18 -19.186 0.701 2.568
155 HH21 ARG 18 1HH2 ARG 18 -19.094 2.672 -0.352
156 HH22 ARG 18 2HH2 ARG 18 -20.107 1.858 0.749
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -11.758 -2.299 1.669
2 HA2 GLY 1 2HA GLY 1 -12.372 -4.288 0.564
3 HA3 GLY 1 1HA GLY 1 -13.509 -3.361 -0.401
4 H VAL 2 H VAL 2 -11.054 -1.354 -0.692
5 HA VAL 2 HA VAL 2 -10.063 -2.902 -2.956
6 HB VAL 2 HB VAL 2 -11.121 -0.783 -3.640
7 HG11 VAL 2 1HG1 VAL 2 -9.003 0.602 -2.020
8 HG12 VAL 2 2HG1 VAL 2 -10.737 0.584 -1.699
9 HG13 VAL 2 3HG1 VAL 2 -10.115 1.388 -3.139
10 HG21 VAL 2 3HG2 VAL 2 -8.136 -0.780 -4.082
11 HG22 VAL 2 1HG2 VAL 2 -9.307 0.133 -5.036
12 HG23 VAL 2 2HG2 VAL 2 -9.341 -1.629 -5.047
13 H CYS 3 H CYS 3 -8.017 -3.394 -3.187
14 HA CYS 3 HA CYS 3 -6.245 -2.665 -0.972
15 HB2 CYS 3 2HB CYS 3 -6.262 -5.144 -2.693
16 HB3 CYS 3 1HB CYS 3 -5.085 -4.786 -1.434
17 H ARG 4 H ARG 4 -4.325 -1.856 -1.390
18 HA ARG 4 HA ARG 4 -3.323 -1.863 -4.141
19 HB2 ARG 4 2HB ARG 4 -4.307 0.358 -3.695
20 HB3 ARG 4 1HB ARG 4 -3.314 0.511 -2.254
21 HG2 ARG 4 2HG ARG 4 -1.295 0.499 -3.623
22 HG3 ARG 4 1HG ARG 4 -2.279 0.302 -5.068
23 HD2 ARG 4 2HD ARG 4 -3.362 2.456 -4.614
24 HD3 ARG 4 1HD ARG 4 -2.355 2.655 -3.183
25 HE ARG 4 HE ARG 4 -0.508 2.329 -5.081
26 HH11 ARG 4 1HH1 ARG 4 -3.367 4.428 -5.014
27 HH12 ARG 4 2HH1 ARG 4 -2.691 5.609 -6.015
28 HH21 ARG 4 1HH2 ARG 4 0.432 3.991 -6.439
29 HH22 ARG 4 2HH2 ARG 4 -0.476 5.356 -6.846
30 H ABA 5 H ABA 5 -1.406 -2.825 -4.128
31 HA ABA 5 HA ABA 5 0.101 -2.912 -1.631
32 HB3 ABA 5 1HB ABA 5 0.510 -4.469 -4.196
33 HB2 ABA 5 2HB ABA 5 -0.357 -5.067 -2.784
34 HG1 ABA 5 3HG ABA 5 1.691 -4.935 -1.459
35 HG3 ABA 5 1HG ABA 5 2.569 -4.349 -2.872
36 HG2 ABA 5 2HG ABA 5 1.890 -5.979 -2.864
37 H VAL 6 H VAL 6 1.400 -1.302 -1.382
38 HA VAL 6 HA VAL 6 2.768 -0.231 -3.742
39 HB VAL 6 HB VAL 6 3.308 1.749 -2.379
40 HG11 VAL 6 1HG1 VAL 6 1.271 1.751 -3.711
41 HG12 VAL 6 2HG1 VAL 6 1.052 2.691 -2.240
42 HG13 VAL 6 3HG1 VAL 6 0.374 1.064 -2.357
43 HG21 VAL 6 3HG2 VAL 6 2.261 2.090 -0.172
44 HG22 VAL 6 1HG2 VAL 6 3.371 0.721 -0.160
45 HG23 VAL 6 2HG2 VAL 6 1.627 0.450 -0.227
46 H ABA 7 H ABA 7 5.054 0.209 -3.570
47 HA ABA 7 HA ABA 7 6.343 -1.356 -1.483
48 HB3 ABA 7 1HB ABA 7 7.152 -1.402 -4.397
49 HB2 ABA 7 2HB ABA 7 6.215 -2.670 -3.615
50 HG1 ABA 7 3HG ABA 7 9.001 -1.841 -2.846
51 HG3 ABA 7 1HG ABA 7 8.569 -3.271 -3.787
52 HG2 ABA 7 2HG ABA 7 8.056 -3.127 -2.106
53 H ARG 8 H ARG 8 7.096 0.264 -0.375
54 HA ARG 8 HA ARG 8 8.412 2.484 -1.742
55 HB2 ARG 8 2HB ARG 8 7.601 2.179 1.151
56 HB3 ARG 8 1HB ARG 8 8.363 3.603 0.469
57 HG2 ARG 8 2HG ARG 8 6.410 3.843 -1.051
58 HG3 ARG 8 1HG ARG 8 5.643 2.500 -0.201
59 HD2 ARG 8 2HD ARG 8 4.832 4.601 0.690
60 HD3 ARG 8 1HD ARG 8 5.804 3.770 1.903
61 HE ARG 8 HE ARG 8 7.390 5.548 0.390
62 HH11 ARG 8 1HH1 ARG 8 5.048 5.481 3.040
63 HH12 ARG 8 2HH1 ARG 8 5.503 6.971 3.702
64 HH21 ARG 8 1HH2 ARG 8 8.068 7.619 1.338
65 HH22 ARG 8 2HH2 ARG 8 7.279 8.204 2.729
66 H ARG 9 H ARG 9 10.304 1.602 -2.303
67 HA ARG 9 HA ARG 9 12.455 0.939 -2.187
68 HB2 ARG 9 2HB ARG 9 12.593 3.068 -0.839
69 HB3 ARG 9 1HB ARG 9 12.364 2.112 0.616
70 HG2 ARG 9 2HG ARG 9 14.470 0.942 0.191
71 HG3 ARG 9 1HG ARG 9 14.694 1.883 -1.280
72 HD2 ARG 9 2HD ARG 9 16.028 2.778 0.547
73 HD3 ARG 9 1HD ARG 9 14.804 3.939 0.036
74 HE ARG 9 HE ARG 9 13.518 2.948 2.028
75 HH11 ARG 9 1HH1 ARG 9 17.040 3.462 1.961
76 HH12 ARG 9 2HH1 ARG 9 17.188 3.677 3.639
77 HH21 ARG 9 1HH2 ARG 9 13.722 3.300 4.338
78 HH22 ARG 9 2HH2 ARG 9 15.233 3.590 5.040
79 H GLY 10 H GLY 10 10.958 -1.124 -1.987
80 HA2 GLY 10 2HA GLY 10 11.425 -3.367 -1.516
81 HA3 GLY 10 1HA GLY 10 12.417 -2.856 -0.160
82 H VAL 11 H VAL 11 10.135 -1.084 0.729
83 HA VAL 11 HA VAL 11 8.926 -3.072 2.413
84 HB VAL 11 HB VAL 11 8.467 -0.071 2.302
85 HG11 VAL 11 1HG1 VAL 11 7.476 -0.323 4.537
86 HG12 VAL 11 2HG1 VAL 11 7.664 -2.071 4.409
87 HG13 VAL 11 3HG1 VAL 11 6.564 -1.222 3.323
88 HG21 VAL 11 3HG2 VAL 11 10.179 -1.729 4.152
89 HG22 VAL 11 1HG2 VAL 11 9.896 0.007 4.295
90 HG23 VAL 11 2HG2 VAL 11 10.756 -0.635 2.894
91 H ABA 12 H ABA 12 7.441 -4.275 1.490
92 HA ABA 12 HA ABA 12 5.529 -3.178 -0.392
93 HB3 ABA 12 1HB ABA 12 4.763 -5.522 -0.619
94 HB2 ABA 12 2HB ABA 12 5.889 -5.999 0.646
95 HG1 ABA 12 3HG ABA 12 7.761 -5.291 -0.760
96 HG3 ABA 12 1HG ABA 12 6.624 -4.865 -2.039
97 HG2 ABA 12 2HG ABA 12 6.781 -6.543 -1.522
98 H ARG 13 H ARG 13 3.880 -2.181 0.428
99 HA ARG 13 HA ARG 13 2.633 -3.203 2.889
100 HB2 ARG 13 2HB ARG 13 3.693 -0.982 3.143
101 HB3 ARG 13 1HB ARG 13 2.672 -0.367 1.853
102 HG2 ARG 13 2HG ARG 13 0.690 -0.947 3.250
103 HG3 ARG 13 1HG ARG 13 1.802 -1.349 4.558
104 HD2 ARG 13 2HD ARG 13 0.996 0.901 4.865
105 HD3 ARG 13 1HD ARG 13 2.707 0.945 4.449
106 HE ARG 13 HE ARG 13 1.218 1.176 2.100
107 HH11 ARG 13 1HH1 ARG 13 1.844 3.085 5.012
108 HH12 ARG 13 2HH1 ARG 13 1.673 4.583 4.236
109 HH21 ARG 13 1HH2 ARG 13 0.935 3.292 1.028
110 HH22 ARG 13 2HH2 ARG 13 1.156 4.697 1.953
111 H ABA 14 H ABA 14 0.867 -4.302 2.267
112 HA ABA 14 HA ABA 14 -0.714 -3.335 0.028
113 HB3 ABA 14 1HB ABA 14 -1.070 -5.821 1.733
114 HB2 ABA 14 2HB ABA 14 -0.211 -5.772 0.198
115 HG1 ABA 14 3HG ABA 14 -3.140 -5.199 0.584
116 HG3 ABA 14 1HG ABA 14 -2.445 -6.675 -0.086
117 HG2 ABA 14 2HG ABA 14 -2.275 -5.143 -0.947
118 H VAL 15 H VAL 15 -2.058 -1.818 0.466
119 HA VAL 15 HA VAL 15 -3.337 -1.775 3.082
120 HB VAL 15 HB VAL 15 -3.987 0.599 2.513
121 HG11 VAL 15 1HG1 VAL 15 -1.048 -0.031 2.508
122 HG12 VAL 15 2HG1 VAL 15 -2.082 0.110 3.930
123 HG13 VAL 15 3HG1 VAL 15 -1.761 1.523 2.928
124 HG21 VAL 15 3HG2 VAL 15 -2.748 1.737 0.716
125 HG22 VAL 15 1HG2 VAL 15 -3.796 0.466 0.079
126 HG23 VAL 15 2HG2 VAL 15 -2.060 0.194 0.221
127 H CYS 16 H CYS 16 -5.259 -2.567 3.200
128 HA CYS 16 HA CYS 16 -7.000 -2.374 0.871
129 HB2 CYS 16 2HB CYS 16 -7.129 -4.279 3.214
130 HB3 CYS 16 1HB CYS 16 -8.263 -4.235 1.872
131 H ARG 17 H ARG 17 -8.421 -0.889 0.978
132 HA ARG 17 HA ARG 17 -9.503 -0.098 3.569
133 HB2 ARG 17 2HB ARG 17 -7.720 1.468 2.921
134 HB3 ARG 17 1HB ARG 17 -8.508 1.731 1.378
135 HG2 ARG 17 2HG ARG 17 -10.387 2.783 2.490
136 HG3 ARG 17 1HG ARG 17 -9.656 2.460 4.067
137 HD2 ARG 17 2HD ARG 17 -9.232 4.765 3.360
138 HD3 ARG 17 1HD ARG 17 -7.736 3.841 3.465
139 HE ARG 17 HE ARG 17 -8.875 3.821 0.841
140 HH11 ARG 17 1HH1 ARG 17 -6.776 5.686 2.986
141 HH12 ARG 17 2HH1 ARG 17 -5.983 6.529 1.742
142 HH21 ARG 17 1HH2 ARG 17 -7.808 4.925 -0.868
143 HH22 ARG 17 2HH2 ARG 17 -6.596 6.071 -0.552
144 H ARG 18 H ARG 18 -11.610 -0.295 3.481
145 HA ARG 18 HA ARG 18 -13.731 -0.533 2.800
146 HB2 ARG 18 2HB ARG 18 -13.447 1.917 2.382
147 HB3 ARG 18 1HB ARG 18 -12.969 1.566 0.734
148 HG2 ARG 18 2HG ARG 18 -15.235 2.344 0.710
149 HG3 ARG 18 1HG ARG 18 -15.229 0.627 0.334
150 HD2 ARG 18 2HD ARG 18 -15.987 1.897 2.984
151 HD3 ARG 18 1HD ARG 18 -17.086 1.185 1.814
152 HE ARG 18 HE ARG 18 -15.374 -0.150 3.715
153 HH11 ARG 18 1HH1 ARG 18 -17.396 -0.657 0.822
154 HH12 ARG 18 2HH1 ARG 18 -17.805 -2.258 1.201
155 HH21 ARG 18 1HH2 ARG 18 -15.932 -2.382 4.213
156 HH22 ARG 18 2HH2 ARG 18 -16.952 -3.266 3.182
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -11.819 -1.472 0.811
2 HA2 GLY 1 2HA GLY 1 -13.003 -3.192 -0.300
3 HA3 GLY 1 1HA GLY 1 -13.498 -2.023 -1.509
4 H VAL 2 H VAL 2 -10.228 -1.569 -0.926
5 HA VAL 2 HA VAL 2 -9.482 -3.588 -2.864
6 HB VAL 2 HB VAL 2 -9.993 -1.608 -4.202
7 HG11 VAL 2 1HG1 VAL 2 -9.687 0.148 -2.598
8 HG12 VAL 2 2HG1 VAL 2 -8.694 0.471 -4.021
9 HG13 VAL 2 3HG1 VAL 2 -7.951 -0.156 -2.549
10 HG21 VAL 2 3HG2 VAL 2 -7.856 -1.349 -5.404
11 HG22 VAL 2 1HG2 VAL 2 -8.183 -3.035 -4.996
12 HG23 VAL 2 2HG2 VAL 2 -7.018 -2.104 -4.052
13 H CYS 3 H CYS 3 -7.533 -4.466 -2.552
14 HA CYS 3 HA CYS 3 -5.943 -3.481 -0.326
15 HB2 CYS 3 2HB CYS 3 -5.726 -6.054 -1.910
16 HB3 CYS 3 1HB CYS 3 -4.785 -5.641 -0.481
17 H ARG 4 H ARG 4 -4.657 -2.002 -0.729
18 HA ARG 4 HA ARG 4 -3.487 -1.719 -3.381
19 HB2 ARG 4 2HB ARG 4 -3.617 0.153 -1.010
20 HB3 ARG 4 1HB ARG 4 -2.849 0.535 -2.541
21 HG2 ARG 4 2HG ARG 4 -5.767 -0.142 -2.246
22 HG3 ARG 4 1HG ARG 4 -5.125 1.501 -2.257
23 HD2 ARG 4 2HD ARG 4 -4.810 -0.510 -4.494
24 HD3 ARG 4 1HD ARG 4 -5.976 0.810 -4.467
25 HE ARG 4 HE ARG 4 -3.741 2.154 -4.104
26 HH11 ARG 4 1HH1 ARG 4 -4.320 -0.464 -6.431
27 HH12 ARG 4 2HH1 ARG 4 -3.288 0.179 -7.609
28 HH21 ARG 4 1HH2 ARG 4 -2.345 3.035 -5.740
29 HH22 ARG 4 2HH2 ARG 4 -2.126 2.207 -7.213
30 H ABA 5 H ABA 5 -1.604 -2.622 -3.634
31 HA ABA 5 HA ABA 5 0.205 -2.991 -1.374
32 HB3 ABA 5 1HB ABA 5 0.443 -3.942 -4.240
33 HB2 ABA 5 2HB ABA 5 -0.220 -4.898 -2.921
34 HG1 ABA 5 3HG ABA 5 2.089 -5.520 -3.434
35 HG3 ABA 5 1HG ABA 5 1.942 -4.873 -1.797
36 HG2 ABA 5 2HG ABA 5 2.605 -3.870 -3.081
37 H VAL 6 H VAL 6 1.089 -1.079 -0.964
38 HA VAL 6 HA VAL 6 2.202 0.498 -3.162
39 HB VAL 6 HB VAL 6 2.386 1.098 -0.241
40 HG11 VAL 6 1HG1 VAL 6 2.525 3.447 -0.948
41 HG12 VAL 6 2HG1 VAL 6 2.434 2.918 -2.625
42 HG13 VAL 6 3HG1 VAL 6 3.806 2.440 -1.627
43 HG21 VAL 6 3HG2 VAL 6 0.013 0.776 -0.639
44 HG22 VAL 6 1HG2 VAL 6 0.068 1.863 -2.027
45 HG23 VAL 6 2HG2 VAL 6 0.335 2.493 -0.397
46 H ABA 7 H ABA 7 4.355 0.616 -3.392
47 HA ABA 7 HA ABA 7 5.938 -1.078 -1.597
48 HB3 ABA 7 1HB ABA 7 6.474 -0.596 -4.535
49 HB2 ABA 7 2HB ABA 7 5.721 -2.044 -3.873
50 HG1 ABA 7 3HG ABA 7 8.504 -1.084 -3.270
51 HG3 ABA 7 1HG ABA 7 8.083 -2.416 -4.348
52 HG2 ABA 7 2HG ABA 7 7.750 -2.539 -2.620
53 H ARG 8 H ARG 8 6.881 0.249 -0.297
54 HA ARG 8 HA ARG 8 8.044 2.690 -1.390
55 HB2 ARG 8 2HB ARG 8 7.521 1.956 1.492
56 HB3 ARG 8 1HB ARG 8 8.298 3.441 0.970
57 HG2 ARG 8 2HG ARG 8 5.451 2.593 0.436
58 HG3 ARG 8 1HG ARG 8 5.992 3.898 1.488
59 HD2 ARG 8 2HD ARG 8 6.198 3.760 -1.522
60 HD3 ARG 8 1HD ARG 8 5.179 4.836 -0.582
61 HE ARG 8 HE ARG 8 8.096 4.994 -0.329
62 HH11 ARG 8 1HH1 ARG 8 5.060 6.577 -1.275
63 HH12 ARG 8 2HH1 ARG 8 5.809 8.067 -1.604
64 HH21 ARG 8 1HH2 ARG 8 9.086 7.068 -0.788
65 HH22 ARG 8 2HH2 ARG 8 8.109 8.365 -1.315
66 H ARG 9 H ARG 9 9.676 1.689 -2.392
67 HA ARG 9 HA ARG 9 11.758 0.976 -2.752
68 HB2 ARG 9 2HB ARG 9 12.134 3.058 -1.306
69 HB3 ARG 9 1HB ARG 9 12.423 1.956 0.030
70 HG2 ARG 9 2HG ARG 9 14.518 2.696 -0.924
71 HG3 ARG 9 1HG ARG 9 14.299 0.968 -1.228
72 HD2 ARG 9 2HD ARG 9 13.573 1.415 -3.489
73 HD3 ARG 9 1HD ARG 9 13.644 3.155 -3.201
74 HE ARG 9 HE ARG 9 16.141 2.296 -2.667
75 HH11 ARG 9 1HH1 ARG 9 13.978 1.896 -5.465
76 HH12 ARG 9 2HH1 ARG 9 15.225 1.889 -6.616
77 HH21 ARG 9 1HH2 ARG 9 17.869 2.281 -4.283
78 HH22 ARG 9 2HH2 ARG 9 17.475 2.093 -5.927
79 H GLY 10 H GLY 10 10.450 -1.100 -2.400
80 HA2 GLY 10 2HA GLY 10 11.102 -3.346 -2.030
81 HA3 GLY 10 1HA GLY 10 12.072 -2.807 -0.664
82 H VAL 11 H VAL 11 9.990 -1.192 0.486
83 HA VAL 11 HA VAL 11 8.709 -3.202 2.045
84 HB VAL 11 HB VAL 11 8.249 -0.208 2.027
85 HG11 VAL 11 1HG1 VAL 11 7.315 -0.541 4.269
86 HG12 VAL 11 2HG1 VAL 11 7.519 -2.285 4.082
87 HG13 VAL 11 3HG1 VAL 11 6.394 -1.412 3.041
88 HG21 VAL 11 3HG2 VAL 11 10.010 -1.894 3.804
89 HG22 VAL 11 1HG2 VAL 11 9.725 -0.162 3.969
90 HG23 VAL 11 2HG2 VAL 11 10.564 -0.786 2.547
91 H ABA 12 H ABA 12 7.278 -4.346 0.910
92 HA ABA 12 HA ABA 12 5.250 -3.052 -0.695
93 HB3 ABA 12 1HB ABA 12 4.454 -5.388 -1.110
94 HB2 ABA 12 2HB ABA 12 5.719 -5.961 -0.032
95 HG1 ABA 12 3HG ABA 12 6.165 -4.486 -2.609
96 HG3 ABA 12 1HG ABA 12 6.367 -6.218 -2.349
97 HG2 ABA 12 2HG ABA 12 7.421 -5.066 -1.517
98 H ARG 13 H ARG 13 4.087 -1.924 0.677
99 HA ARG 13 HA ARG 13 2.872 -3.167 3.007
100 HB2 ARG 13 2HB ARG 13 3.942 -0.999 3.327
101 HB3 ARG 13 1HB ARG 13 2.994 -0.300 2.030
102 HG2 ARG 13 2HG ARG 13 2.181 0.386 4.233
103 HG3 ARG 13 1HG ARG 13 0.970 -0.538 3.353
104 HD2 ARG 13 2HD ARG 13 1.039 -1.226 5.678
105 HD3 ARG 13 1HD ARG 13 1.575 -2.533 4.624
106 HE ARG 13 HE ARG 13 3.628 -0.848 5.776
107 HH11 ARG 13 1HH1 ARG 13 1.877 -3.919 5.842
108 HH12 ARG 13 2HH1 ARG 13 2.901 -4.700 6.941
109 HH21 ARG 13 1HH2 ARG 13 5.098 -1.896 7.324
110 HH22 ARG 13 2HH2 ARG 13 4.805 -3.503 7.806
111 H ABA 14 H ABA 14 1.215 -4.373 2.300
112 HA ABA 14 HA ABA 14 -0.636 -3.244 0.335
113 HB3 ABA 14 1HB ABA 14 -0.443 -6.076 1.402
114 HB2 ABA 14 2HB ABA 14 0.267 -5.528 -0.111
115 HG1 ABA 14 3HG ABA 14 -1.797 -6.723 -0.509
116 HG3 ABA 14 1HG ABA 14 -1.966 -5.029 -0.974
117 HG2 ABA 14 2HG ABA 14 -2.673 -5.598 0.535
118 H VAL 15 H VAL 15 -2.090 -2.053 1.225
119 HA VAL 15 HA VAL 15 -3.272 -2.903 3.787
120 HB VAL 15 HB VAL 15 -3.418 -0.124 2.589
121 HG11 VAL 15 1HG1 VAL 15 -3.793 -1.067 5.417
122 HG12 VAL 15 2HG1 VAL 15 -5.086 -0.690 4.290
123 HG13 VAL 15 3HG1 VAL 15 -3.989 0.587 4.833
124 HG21 VAL 15 3HG2 VAL 15 -1.396 -1.130 4.587
125 HG22 VAL 15 1HG2 VAL 15 -1.622 0.556 4.116
126 HG23 VAL 15 2HG2 VAL 15 -1.073 -0.624 2.930
127 H CYS 16 H CYS 16 -5.433 -3.319 3.803
128 HA CYS 16 HA CYS 16 -6.891 -3.007 1.274
129 HB2 CYS 16 2HB CYS 16 -7.583 -4.680 3.690
130 HB3 CYS 16 1HB CYS 16 -8.438 -4.670 2.152
131 H ARG 17 H ARG 17 -7.805 -1.186 1.067
132 HA ARG 17 HA ARG 17 -9.440 -0.175 3.284
133 HB2 ARG 17 2HB ARG 17 -7.647 1.492 1.506
134 HB3 ARG 17 1HB ARG 17 -8.789 2.115 2.682
135 HG2 ARG 17 2HG ARG 17 -6.256 0.583 3.217
136 HG3 ARG 17 1HG ARG 17 -6.562 2.288 3.543
137 HD2 ARG 17 2HD ARG 17 -7.893 -0.074 4.857
138 HD3 ARG 17 1HD ARG 17 -6.730 1.019 5.601
139 HE ARG 17 HE ARG 17 -8.563 2.743 4.991
140 HH11 ARG 17 1HH1 ARG 17 -8.961 -0.484 6.350
141 HH12 ARG 17 2HH1 ARG 17 -10.466 -0.174 7.097
142 HH21 ARG 17 1HH2 ARG 17 -10.630 3.217 6.007
143 HH22 ARG 17 2HH2 ARG 17 -11.452 1.999 6.867
144 H ARG 18 H ARG 18 -11.378 0.474 2.616
145 HA ARG 18 HA ARG 18 -13.105 1.225 1.345
146 HB2 ARG 18 2HB ARG 18 -11.353 2.975 0.898
147 HB3 ARG 18 1HB ARG 18 -10.973 2.123 -0.580
148 HG2 ARG 18 2HG ARG 18 -13.096 2.679 -1.523
149 HG3 ARG 18 1HG ARG 18 -13.676 3.287 0.034
150 HD2 ARG 18 2HD ARG 18 -11.385 4.424 -1.558
151 HD3 ARG 18 1HD ARG 18 -12.993 5.136 -1.432
152 HE ARG 18 HE ARG 18 -12.457 5.106 1.074
153 HH11 ARG 18 1HH1 ARG 18 -10.094 5.800 -1.469
154 HH12 ARG 18 2HH1 ARG 18 -9.080 6.729 -0.469
155 HH21 ARG 18 1HH2 ARG 18 -11.071 6.388 2.441
156 HH22 ARG 18 2HH2 ARG 18 -9.645 7.072 1.819
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -11.530 -0.568 1.660
2 HA2 GLY 1 2HA GLY 1 -12.858 -2.426 1.137
3 HA3 GLY 1 1HA GLY 1 -13.520 -1.540 -0.224
4 H VAL 2 H VAL 2 -10.406 -0.881 -0.691
5 HA VAL 2 HA VAL 2 -10.069 -3.354 -2.211
6 HB VAL 2 HB VAL 2 -8.903 -2.075 -3.993
7 HG11 VAL 2 1HG1 VAL 2 -10.896 -1.093 -5.003
8 HG12 VAL 2 2HG1 VAL 2 -11.713 -1.151 -3.445
9 HG13 VAL 2 3HG1 VAL 2 -11.247 -2.650 -4.254
10 HG21 VAL 2 3HG2 VAL 2 -9.866 0.363 -2.486
11 HG22 VAL 2 1HG2 VAL 2 -9.153 0.372 -4.098
12 HG23 VAL 2 2HG2 VAL 2 -8.188 -0.127 -2.710
13 H CYS 3 H CYS 3 -8.073 -4.222 -2.447
14 HA CYS 3 HA CYS 3 -6.046 -3.232 -0.592
15 HB2 CYS 3 2HB CYS 3 -6.415 -5.972 -1.800
16 HB3 CYS 3 1HB CYS 3 -5.170 -5.525 -0.635
17 H ARG 4 H ARG 4 -4.146 -2.574 -1.236
18 HA ARG 4 HA ARG 4 -3.374 -2.955 -4.055
19 HB2 ARG 4 2HB ARG 4 -2.859 -0.467 -2.398
20 HB3 ARG 4 1HB ARG 4 -2.469 -0.702 -4.087
21 HG2 ARG 4 2HG ARG 4 -5.209 -0.369 -2.865
22 HG3 ARG 4 1HG ARG 4 -4.366 0.754 -3.925
23 HD2 ARG 4 2HD ARG 4 -5.442 -1.968 -4.630
24 HD3 ARG 4 1HD ARG 4 -6.051 -0.414 -5.182
25 HE ARG 4 HE ARG 4 -3.869 -0.144 -6.304
26 HH11 ARG 4 1HH1 ARG 4 -5.016 -3.418 -5.532
27 HH12 ARG 4 2HH1 ARG 4 -4.368 -4.142 -6.916
28 HH21 ARG 4 1HH2 ARG 4 -2.890 -1.188 -8.236
29 HH22 ARG 4 2HH2 ARG 4 -3.161 -2.837 -8.500
30 H ABA 5 H ABA 5 -1.458 -3.985 -4.138
31 HA ABA 5 HA ABA 5 0.267 -4.115 -1.806
32 HB3 ABA 5 1HB ABA 5 0.667 -5.256 -4.594
33 HB2 ABA 5 2HB ABA 5 -0.089 -6.121 -3.263
34 HG1 ABA 5 3HG ABA 5 2.765 -5.167 -3.333
35 HG3 ABA 5 1HG ABA 5 2.215 -6.828 -3.569
36 HG2 ABA 5 2HG ABA 5 1.999 -6.035 -2.006
37 H VAL 6 H VAL 6 1.086 -2.151 -1.475
38 HA VAL 6 HA VAL 6 2.241 -0.737 -3.737
39 HB VAL 6 HB VAL 6 2.363 1.240 -2.262
40 HG11 VAL 6 1HG1 VAL 6 0.401 0.945 -3.623
41 HG12 VAL 6 2HG1 VAL 6 -0.056 1.661 -2.078
42 HG13 VAL 6 3HG1 VAL 6 -0.351 -0.053 -2.381
43 HG21 VAL 6 3HG2 VAL 6 0.980 -0.498 -0.207
44 HG22 VAL 6 1HG2 VAL 6 1.232 1.241 -0.062
45 HG23 VAL 6 2HG2 VAL 6 2.615 0.145 -0.088
46 H ABA 7 H ABA 7 4.360 -0.457 -4.006
47 HA ABA 7 HA ABA 7 6.132 -1.596 -2.064
48 HB3 ABA 7 1HB ABA 7 7.800 -1.039 -3.851
49 HB2 ABA 7 2HB ABA 7 6.461 -0.499 -4.846
50 HG1 ABA 7 3HG ABA 7 6.884 -3.268 -3.795
51 HG3 ABA 7 1HG ABA 7 7.107 -2.738 -5.457
52 HG2 ABA 7 2HG ABA 7 5.485 -2.747 -4.750
53 H ARG 8 H ARG 8 6.256 -0.193 -0.437
54 HA ARG 8 HA ARG 8 6.828 2.587 -1.125
55 HB2 ARG 8 2HB ARG 8 4.696 2.422 -0.010
56 HB3 ARG 8 1HB ARG 8 5.399 1.452 1.276
57 HG2 ARG 8 2HG ARG 8 6.685 3.324 2.063
58 HG3 ARG 8 1HG ARG 8 6.150 4.310 0.702
59 HD2 ARG 8 2HD ARG 8 4.313 3.138 2.784
60 HD3 ARG 8 1HD ARG 8 4.941 4.789 2.822
61 HE ARG 8 HE ARG 8 3.696 4.235 0.349
62 HH11 ARG 8 1HH1 ARG 8 2.869 4.908 3.726
63 HH12 ARG 8 2HH1 ARG 8 1.414 5.711 3.344
64 HH21 ARG 8 1HH2 ARG 8 1.669 5.324 -0.157
65 HH22 ARG 8 2HH2 ARG 8 0.715 5.926 1.122
66 H ARG 9 H ARG 9 8.820 3.065 -0.843
67 HA ARG 9 HA ARG 9 10.857 3.350 0.006
68 HB2 ARG 9 2HB ARG 9 9.403 3.941 2.044
69 HB3 ARG 9 1HB ARG 9 9.792 2.344 2.656
70 HG2 ARG 9 2HG ARG 9 11.204 4.026 3.680
71 HG3 ARG 9 1HG ARG 9 12.173 2.947 2.672
72 HD2 ARG 9 2HD ARG 9 12.233 4.575 0.900
73 HD3 ARG 9 1HD ARG 9 11.142 5.640 1.772
74 HE ARG 9 HE ARG 9 13.164 5.346 3.480
75 HH11 ARG 9 1HH1 ARG 9 13.124 6.221 0.020
76 HH12 ARG 9 2HH1 ARG 9 14.466 7.234 0.090
77 HH21 ARG 9 1HH2 ARG 9 15.031 6.798 3.597
78 HH22 ARG 9 2HH2 ARG 9 15.594 7.580 2.209
79 H GLY 10 H GLY 10 10.117 0.816 -1.185
80 HA2 GLY 10 2HA GLY 10 11.583 -0.915 -1.763
81 HA3 GLY 10 1HA GLY 10 12.445 -0.659 -0.256
82 H VAL 11 H VAL 11 9.315 -0.750 0.714
83 HA VAL 11 HA VAL 11 9.401 -3.649 0.886
84 HB VAL 11 HB VAL 11 9.867 -2.687 3.106
85 HG11 VAL 11 1HG1 VAL 11 8.758 -0.565 2.955
86 HG12 VAL 11 2HG1 VAL 11 8.198 -1.448 4.377
87 HG13 VAL 11 3HG1 VAL 11 7.182 -1.361 2.935
88 HG21 VAL 11 3HG2 VAL 11 8.719 -4.810 3.062
89 HG22 VAL 11 1HG2 VAL 11 7.157 -3.994 2.968
90 HG23 VAL 11 2HG2 VAL 11 8.145 -3.846 4.424
91 H ABA 12 H ABA 12 7.729 -4.731 0.134
92 HA ABA 12 HA ABA 12 5.513 -3.187 -0.865
93 HB3 ABA 12 1HB ABA 12 6.370 -4.814 -2.433
94 HB2 ABA 12 2HB ABA 12 4.757 -5.310 -1.959
95 HG1 ABA 12 3HG ABA 12 6.190 -7.227 -2.108
96 HG3 ABA 12 1HG ABA 12 5.713 -6.960 -0.430
97 HG2 ABA 12 2HG ABA 12 7.330 -6.505 -0.974
98 H ARG 13 H ARG 13 3.763 -2.876 0.133
99 HA ARG 13 HA ARG 13 2.926 -4.724 2.267
100 HB2 ARG 13 2HB ARG 13 3.836 -2.644 3.227
101 HB3 ARG 13 1HB ARG 13 2.747 -1.701 2.224
102 HG2 ARG 13 2HG ARG 13 1.886 -1.767 4.471
103 HG3 ARG 13 1HG ARG 13 0.829 -2.708 3.422
104 HD2 ARG 13 2HD ARG 13 1.901 -4.768 4.200
105 HD3 ARG 13 1HD ARG 13 2.949 -3.819 5.252
106 HE ARG 13 HE ARG 13 0.119 -3.422 5.638
107 HH11 ARG 13 1HH1 ARG 13 3.023 -5.109 6.782
108 HH12 ARG 13 2HH1 ARG 13 2.328 -5.650 8.227
109 HH21 ARG 13 1HH2 ARG 13 -0.841 -4.138 7.658
110 HH22 ARG 13 2HH2 ARG 13 0.073 -5.085 8.732
111 H ABA 14 H ABA 14 0.931 -5.513 1.904
112 HA ABA 14 HA ABA 14 -0.686 -4.314 -0.172
113 HB3 ABA 14 1HB ABA 14 -1.223 -6.786 1.493
114 HB2 ABA 14 2HB ABA 14 -0.414 -6.797 -0.069
115 HG1 ABA 14 3HG ABA 14 -2.443 -5.874 -1.104
116 HG3 ABA 14 1HG ABA 14 -3.250 -5.933 0.459
117 HG2 ABA 14 2HG ABA 14 -2.738 -7.429 -0.329
118 H VAL 15 H VAL 15 -1.504 -2.532 0.510
119 HA VAL 15 HA VAL 15 -2.729 -2.424 3.124
120 HB VAL 15 HB VAL 15 -3.040 0.023 2.686
121 HG11 VAL 15 1HG1 VAL 15 -0.219 -0.988 2.361
122 HG12 VAL 15 2HG1 VAL 15 -1.077 -0.768 3.886
123 HG13 VAL 15 3HG1 VAL 15 -0.677 0.630 2.891
124 HG21 VAL 15 3HG2 VAL 15 -1.459 -0.540 0.166
125 HG22 VAL 15 1HG2 VAL 15 -1.847 1.063 0.793
126 HG23 VAL 15 2HG2 VAL 15 -3.137 -0.006 0.243
127 H CYS 16 H CYS 16 -4.756 -2.603 3.437
128 HA CYS 16 HA CYS 16 -6.573 -2.505 1.145
129 HB2 CYS 16 2HB CYS 16 -6.924 -3.861 3.831
130 HB3 CYS 16 1HB CYS 16 -8.089 -3.881 2.517
131 H ARG 17 H ARG 17 -7.718 -0.775 0.969
132 HA ARG 17 HA ARG 17 -8.842 0.459 3.289
133 HB2 ARG 17 2HB ARG 17 -8.029 2.720 2.723
134 HB3 ARG 17 1HB ARG 17 -6.726 1.652 3.202
135 HG2 ARG 17 2HG ARG 17 -5.979 1.432 0.934
136 HG3 ARG 17 1HG ARG 17 -7.412 2.263 0.327
137 HD2 ARG 17 2HD ARG 17 -5.493 3.751 0.323
138 HD3 ARG 17 1HD ARG 17 -6.693 4.315 1.476
139 HE ARG 17 HE ARG 17 -4.192 2.933 2.135
140 HH11 ARG 17 1HH1 ARG 17 -6.780 5.203 3.069
141 HH12 ARG 17 2HH1 ARG 17 -5.936 5.759 4.448
142 HH21 ARG 17 1HH2 ARG 17 -3.086 3.761 4.085
143 HH22 ARG 17 2HH2 ARG 17 -3.853 4.955 5.008
144 H ARG 18 H ARG 18 -10.678 1.529 2.805
145 HA ARG 18 HA ARG 18 -12.504 2.265 1.675
146 HB2 ARG 18 2HB ARG 18 -10.733 3.680 0.502
147 HB3 ARG 18 1HB ARG 18 -10.717 2.476 -0.772
148 HG2 ARG 18 2HG ARG 18 -13.132 2.950 -1.166
149 HG3 ARG 18 1HG ARG 18 -13.013 4.246 0.024
150 HD2 ARG 18 2HD ARG 18 -11.448 4.033 -2.539
151 HD3 ARG 18 1HD ARG 18 -12.780 5.148 -2.217
152 HE ARG 18 HE ARG 18 -11.083 5.762 -0.270
153 HH11 ARG 18 1HH1 ARG 18 -10.653 5.482 -3.745
154 HH12 ARG 18 2HH1 ARG 18 -9.276 6.473 -3.829
155 HH21 ARG 18 1HH2 ARG 18 -9.210 7.141 -0.340
156 HH22 ARG 18 2HH2 ARG 18 -8.418 7.446 -1.827
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -11.705 -2.055 2.036
2 HA2 GLY 1 2HA GLY 1 -11.844 -4.156 1.080
3 HA3 GLY 1 1HA GLY 1 -13.195 -3.592 0.104
4 H VAL 2 H VAL 2 -10.732 -1.415 -0.175
5 HA VAL 2 HA VAL 2 -9.893 -2.542 -2.735
6 HB VAL 2 HB VAL 2 -9.579 0.279 -1.656
7 HG11 VAL 2 1HG1 VAL 2 -9.097 -0.803 -4.431
8 HG12 VAL 2 2HG1 VAL 2 -7.860 -0.304 -3.281
9 HG13 VAL 2 3HG1 VAL 2 -8.974 0.892 -3.947
10 HG21 VAL 2 3HG2 VAL 2 -11.539 -0.784 -3.687
11 HG22 VAL 2 1HG2 VAL 2 -11.338 0.909 -3.241
12 HG23 VAL 2 2HG2 VAL 2 -11.928 -0.254 -2.051
13 H CYS 3 H CYS 3 -8.083 -3.675 -2.537
14 HA CYS 3 HA CYS 3 -6.033 -2.776 -0.668
15 HB2 CYS 3 2HB CYS 3 -6.397 -5.406 -2.116
16 HB3 CYS 3 1HB CYS 3 -5.010 -5.008 -1.110
17 H ARG 4 H ARG 4 -4.249 -1.904 -1.368
18 HA ARG 4 HA ARG 4 -3.490 -2.213 -4.188
19 HB2 ARG 4 2HB ARG 4 -3.298 0.291 -2.490
20 HB3 ARG 4 1HB ARG 4 -2.627 0.120 -4.103
21 HG2 ARG 4 2HG ARG 4 -4.866 -0.145 -5.023
22 HG3 ARG 4 1HG ARG 4 -5.553 -0.036 -3.401
23 HD2 ARG 4 2HD ARG 4 -4.640 2.216 -3.171
24 HD3 ARG 4 1HD ARG 4 -3.970 2.113 -4.799
25 HE ARG 4 HE ARG 4 -6.575 1.603 -5.185
26 HH11 ARG 4 1HH1 ARG 4 -4.836 4.248 -3.605
27 HH12 ARG 4 2HH1 ARG 4 -6.059 5.409 -3.854
28 HH21 ARG 4 1HH2 ARG 4 -8.273 3.224 -5.568
29 HH22 ARG 4 2HH2 ARG 4 -8.035 4.821 -5.035
30 H ABA 5 H ABA 5 -1.640 -3.314 -4.201
31 HA ABA 5 HA ABA 5 0.153 -3.070 -1.898
32 HB3 ABA 5 1HB ABA 5 -0.025 -5.276 -3.966
33 HB2 ABA 5 2HB ABA 5 -0.700 -5.348 -2.343
34 HG1 ABA 5 3HG ABA 5 2.227 -5.133 -3.020
35 HG3 ABA 5 1HG ABA 5 1.385 -6.584 -2.478
36 HG2 ABA 5 2HG ABA 5 1.546 -5.200 -1.396
37 H VAL 6 H VAL 6 1.596 -1.585 -2.266
38 HA VAL 6 HA VAL 6 3.127 -1.732 -4.761
39 HB VAL 6 HB VAL 6 3.385 0.769 -4.742
40 HG11 VAL 6 1HG1 VAL 6 1.170 1.311 -5.662
41 HG12 VAL 6 2HG1 VAL 6 0.539 -0.201 -5.002
42 HG13 VAL 6 3HG1 VAL 6 1.774 -0.235 -6.256
43 HG21 VAL 6 3HG2 VAL 6 2.848 1.192 -2.395
44 HG22 VAL 6 1HG2 VAL 6 1.184 0.682 -2.675
45 HG23 VAL 6 2HG2 VAL 6 1.801 2.139 -3.452
46 H ABA 7 H ABA 7 5.391 -1.329 -4.508
47 HA ABA 7 HA ABA 7 6.205 -1.657 -1.803
48 HB3 ABA 7 1HB ABA 7 7.201 -3.149 -3.415
49 HB2 ABA 7 2HB ABA 7 8.404 -2.032 -2.781
50 HG1 ABA 7 3HG ABA 7 7.108 -1.795 -5.459
51 HG3 ABA 7 1HG ABA 7 8.732 -2.397 -5.143
52 HG2 ABA 7 2HG ABA 7 8.329 -0.715 -4.791
53 H ARG 8 H ARG 8 7.004 -0.208 -0.589
54 HA ARG 8 HA ARG 8 8.183 2.215 -1.702
55 HB2 ARG 8 2HB ARG 8 5.739 2.648 -1.169
56 HB3 ARG 8 1HB ARG 8 6.088 2.230 0.498
57 HG2 ARG 8 2HG ARG 8 6.021 4.622 0.284
58 HG3 ARG 8 1HG ARG 8 7.686 4.130 0.592
59 HD2 ARG 8 2HD ARG 8 8.185 4.333 -1.809
60 HD3 ARG 8 1HD ARG 8 6.515 4.800 -2.110
61 HE ARG 8 HE ARG 8 7.342 6.609 -0.283
62 HH11 ARG 8 1HH1 ARG 8 8.588 5.660 -3.460
63 HH12 ARG 8 2HH1 ARG 8 9.290 7.158 -3.794
64 HH21 ARG 8 1HH2 ARG 8 8.241 8.663 -0.730
65 HH22 ARG 8 2HH2 ARG 8 9.092 8.975 -2.166
66 H ARG 9 H ARG 9 10.040 2.601 -0.639
67 HA ARG 9 HA ARG 9 11.758 2.443 0.771
68 HB2 ARG 9 2HB ARG 9 10.121 3.421 2.395
69 HB3 ARG 9 1HB ARG 9 9.670 1.794 2.864
70 HG2 ARG 9 2HG ARG 9 11.898 1.418 3.769
71 HG3 ARG 9 1HG ARG 9 12.390 3.024 3.233
72 HD2 ARG 9 2HD ARG 9 10.181 2.443 5.200
73 HD3 ARG 9 1HD ARG 9 11.809 2.970 5.622
74 HE ARG 9 HE ARG 9 11.305 4.990 4.284
75 HH11 ARG 9 1HH1 ARG 9 8.567 3.155 5.557
76 HH12 ARG 9 2HH1 ARG 9 7.621 4.514 5.916
77 HH21 ARG 9 1HH2 ARG 9 10.029 6.814 4.645
78 HH22 ARG 9 2HH2 ARG 9 8.456 6.705 5.319
79 H GLY 10 H GLY 10 10.749 0.167 -0.691
80 HA2 GLY 10 2HA GLY 10 11.876 -1.829 -1.123
81 HA3 GLY 10 1HA GLY 10 12.557 -1.758 0.492
82 H VAL 11 H VAL 11 9.378 -1.267 1.002
83 HA VAL 11 HA VAL 11 8.961 -4.152 1.258
84 HB VAL 11 HB VAL 11 7.548 -3.778 3.190
85 HG11 VAL 11 1HG1 VAL 11 9.882 -4.057 3.628
86 HG12 VAL 11 2HG1 VAL 11 9.187 -2.940 4.801
87 HG13 VAL 11 3HG1 VAL 11 10.156 -2.325 3.459
88 HG21 VAL 11 3HG2 VAL 11 7.282 -1.563 4.235
89 HG22 VAL 11 1HG2 VAL 11 6.564 -1.619 2.622
90 HG23 VAL 11 2HG2 VAL 11 8.122 -0.831 2.865
91 H ABA 12 H ABA 12 7.175 -5.056 0.456
92 HA ABA 12 HA ABA 12 5.498 -3.476 -1.250
93 HB3 ABA 12 1HB ABA 12 4.314 -5.632 -1.645
94 HB2 ABA 12 2HB ABA 12 5.325 -6.384 -0.419
95 HG1 ABA 12 3HG ABA 12 6.121 -6.913 -2.634
96 HG3 ABA 12 1HG ABA 12 7.303 -5.939 -1.764
97 HG2 ABA 12 2HG ABA 12 6.293 -5.197 -3.003
98 H ARG 13 H ARG 13 4.033 -2.245 -0.389
99 HA ARG 13 HA ARG 13 2.919 -3.010 2.179
100 HB2 ARG 13 2HB ARG 13 4.102 -0.828 1.936
101 HB3 ARG 13 1HB ARG 13 2.881 -0.337 0.773
102 HG2 ARG 13 2HG ARG 13 2.445 0.626 2.959
103 HG3 ARG 13 1HG ARG 13 1.166 -0.506 2.507
104 HD2 ARG 13 2HD ARG 13 2.133 -2.219 3.913
105 HD3 ARG 13 1HD ARG 13 3.501 -1.173 4.299
106 HE ARG 13 HE ARG 13 1.549 0.322 5.164
107 HH11 ARG 13 1HH1 ARG 13 1.845 -3.192 5.543
108 HH12 ARG 13 2HH1 ARG 13 1.042 -3.226 7.037
109 HH21 ARG 13 1HH2 ARG 13 0.494 0.264 7.214
110 HH22 ARG 13 2HH2 ARG 13 0.261 -1.213 8.024
111 H ABA 14 H ABA 14 1.062 -4.006 2.039
112 HA ABA 14 HA ABA 14 -0.759 -3.472 -0.170
113 HB3 ABA 14 1HB ABA 14 -0.891 -5.575 2.011
114 HB2 ABA 14 2HB ABA 14 -0.212 -5.838 0.411
115 HG1 ABA 14 3HG ABA 14 -2.453 -6.757 0.568
116 HG3 ABA 14 1HG ABA 14 -2.399 -5.433 -0.595
117 HG2 ABA 14 2HG ABA 14 -3.087 -5.170 1.006
118 H VAL 15 H VAL 15 -1.697 -1.615 0.290
119 HA VAL 15 HA VAL 15 -2.781 -1.082 2.947
120 HB VAL 15 HB VAL 15 -2.814 0.652 0.455
121 HG11 VAL 15 1HG1 VAL 15 -4.572 1.254 2.024
122 HG12 VAL 15 2HG1 VAL 15 -3.323 2.499 1.981
123 HG13 VAL 15 3HG1 VAL 15 -3.390 1.362 3.327
124 HG21 VAL 15 3HG2 VAL 15 -0.953 0.740 2.830
125 HG22 VAL 15 1HG2 VAL 15 -0.992 1.910 1.510
126 HG23 VAL 15 2HG2 VAL 15 -0.532 0.237 1.193
127 H CYS 16 H CYS 16 -4.743 -1.935 3.354
128 HA CYS 16 HA CYS 16 -6.671 -2.083 1.154
129 HB2 CYS 16 2HB CYS 16 -6.537 -3.734 3.691
130 HB3 CYS 16 1HB CYS 16 -7.792 -3.849 2.468
131 H ARG 17 H ARG 17 -8.200 -0.632 1.217
132 HA ARG 17 HA ARG 17 -9.549 -0.130 3.692
133 HB2 ARG 17 2HB ARG 17 -9.568 2.349 3.337
134 HB3 ARG 17 1HB ARG 17 -8.008 1.707 3.805
135 HG2 ARG 17 2HG ARG 17 -7.329 1.795 1.421
136 HG3 ARG 17 1HG ARG 17 -8.873 2.561 1.049
137 HD2 ARG 17 2HD ARG 17 -7.138 4.250 1.299
138 HD3 ARG 17 1HD ARG 17 -8.318 4.379 2.601
139 HE ARG 17 HE ARG 17 -6.467 2.823 3.711
140 HH11 ARG 17 1HH1 ARG 17 -6.103 5.875 1.948
141 HH12 ARG 17 2HH1 ARG 17 -4.749 6.396 2.817
142 HH21 ARG 17 1HH2 ARG 17 -4.610 3.503 4.904
143 HH22 ARG 17 2HH2 ARG 17 -3.870 4.995 4.572
144 H ARG 18 H ARG 18 -11.658 0.123 3.435
145 HA ARG 18 HA ARG 18 -13.693 0.037 2.501
146 HB2 ARG 18 2HB ARG 18 -13.047 2.298 1.627
147 HB3 ARG 18 1HB ARG 18 -12.415 1.542 0.180
148 HG2 ARG 18 2HG ARG 18 -14.596 2.554 -0.229
149 HG3 ARG 18 1HG ARG 18 -14.665 0.799 -0.410
150 HD2 ARG 18 2HD ARG 18 -15.585 0.597 1.830
151 HD3 ARG 18 1HD ARG 18 -15.522 2.347 2.025
152 HE ARG 18 HE ARG 18 -16.975 1.941 -0.234
153 HH11 ARG 18 1HH1 ARG 18 -17.250 0.822 3.120
154 HH12 ARG 18 2HH1 ARG 18 -18.926 0.675 3.103
155 HH21 ARG 18 1HH2 ARG 18 -19.320 1.774 -0.260
156 HH22 ARG 18 2HH2 ARG 18 -20.158 1.282 1.131
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -12.129 -2.354 1.402
2 HA2 GLY 1 2HA GLY 1 -12.215 -4.477 0.435
3 HA3 GLY 1 1HA GLY 1 -13.370 -3.869 -0.747
4 H VAL 2 H VAL 2 -11.093 -1.603 -0.720
5 HA VAL 2 HA VAL 2 -9.840 -2.718 -3.099
6 HB VAL 2 HB VAL 2 -9.791 0.115 -2.018
7 HG11 VAL 2 1HG1 VAL 2 -7.880 -0.365 -3.438
8 HG12 VAL 2 2HG1 VAL 2 -8.984 0.746 -4.243
9 HG13 VAL 2 3HG1 VAL 2 -8.953 -0.953 -4.708
10 HG21 VAL 2 3HG2 VAL 2 -11.487 -1.067 -4.215
11 HG22 VAL 2 1HG2 VAL 2 -11.391 0.647 -3.815
12 HG23 VAL 2 2HG2 VAL 2 -12.054 -0.492 -2.645
13 H CYS 3 H CYS 3 -7.848 -3.453 -2.987
14 HA CYS 3 HA CYS 3 -6.183 -2.674 -0.714
15 HB2 CYS 3 2HB CYS 3 -6.266 -5.265 -2.257
16 HB3 CYS 3 1HB CYS 3 -5.047 -4.867 -1.047
17 H ARG 4 H ARG 4 -4.425 -1.618 -1.159
18 HA ARG 4 HA ARG 4 -3.368 -1.760 -3.879
19 HB2 ARG 4 2HB ARG 4 -3.640 0.702 -2.147
20 HB3 ARG 4 1HB ARG 4 -2.728 0.648 -3.652
21 HG2 ARG 4 2HG ARG 4 -4.747 0.100 -4.886
22 HG3 ARG 4 1HG ARG 4 -5.670 0.079 -3.387
23 HD2 ARG 4 2HD ARG 4 -5.214 2.437 -3.058
24 HD3 ARG 4 1HD ARG 4 -4.235 2.479 -4.525
25 HE ARG 4 HE ARG 4 -6.676 1.480 -5.258
26 HH11 ARG 4 1HH1 ARG 4 -5.501 4.539 -3.918
27 HH12 ARG 4 2HH1 ARG 4 -6.775 5.462 -4.606
28 HH21 ARG 4 1HH2 ARG 4 -8.423 2.766 -6.144
29 HH22 ARG 4 2HH2 ARG 4 -8.445 4.445 -5.881
30 H ABA 5 H ABA 5 -1.378 -2.352 -3.999
31 HA ABA 5 HA ABA 5 0.174 -2.627 -1.560
32 HB3 ABA 5 1HB ABA 5 0.517 -3.822 -4.315
33 HB2 ABA 5 2HB ABA 5 -0.166 -4.636 -2.916
34 HG1 ABA 5 3HG ABA 5 2.121 -5.335 -3.321
35 HG3 ABA 5 1HG ABA 5 1.976 -4.507 -1.772
36 HG2 ABA 5 2HG ABA 5 2.665 -3.665 -3.157
37 H VAL 6 H VAL 6 1.420 -0.983 -1.129
38 HA VAL 6 HA VAL 6 2.707 0.342 -3.362
39 HB VAL 6 HB VAL 6 3.202 2.239 -1.814
40 HG11 VAL 6 1HG1 VAL 6 1.267 2.337 -3.249
41 HG12 VAL 6 2HG1 VAL 6 0.927 3.136 -1.715
42 HG13 VAL 6 3HG1 VAL 6 0.285 1.520 -2.034
43 HG21 VAL 6 3HG2 VAL 6 1.438 0.740 0.142
44 HG22 VAL 6 1HG2 VAL 6 1.991 2.408 0.337
45 HG23 VAL 6 2HG2 VAL 6 3.155 1.085 0.330
46 H ABA 7 H ABA 7 4.630 -0.323 -3.785
47 HA ABA 7 HA ABA 7 6.229 -1.499 -1.657
48 HB3 ABA 7 1HB ABA 7 6.813 -1.336 -4.630
49 HB2 ABA 7 2HB ABA 7 6.007 -2.696 -3.857
50 HG1 ABA 7 3HG ABA 7 8.818 -1.776 -3.298
51 HG3 ABA 7 1HG ABA 7 8.351 -3.186 -4.253
52 HG2 ABA 7 2HG ABA 7 8.007 -3.134 -2.523
53 H ARG 8 H ARG 8 7.156 0.015 -0.508
54 HA ARG 8 HA ARG 8 8.376 2.226 -1.958
55 HB2 ARG 8 2HB ARG 8 8.220 3.563 0.148
56 HB3 ARG 8 1HB ARG 8 6.667 3.131 -0.544
57 HG2 ARG 8 2HG ARG 8 6.429 1.369 1.157
58 HG3 ARG 8 1HG ARG 8 7.986 1.844 1.845
59 HD2 ARG 8 2HD ARG 8 5.520 3.582 1.629
60 HD3 ARG 8 1HD ARG 8 6.140 2.840 3.102
61 HE ARG 8 HE ARG 8 8.105 4.484 1.849
62 HH11 ARG 8 1HH1 ARG 8 5.252 4.697 3.958
63 HH12 ARG 8 2HH1 ARG 8 5.690 6.226 4.572
64 HH21 ARG 8 1HH2 ARG 8 8.680 6.516 2.744
65 HH22 ARG 8 2HH2 ARG 8 7.674 7.271 3.902
66 H ARG 9 H ARG 9 10.185 1.303 -2.438
67 HA ARG 9 HA ARG 9 12.311 0.701 -2.340
68 HB2 ARG 9 2HB ARG 9 12.423 2.886 -1.174
69 HB3 ARG 9 1HB ARG 9 12.310 2.055 0.362
70 HG2 ARG 9 2HG ARG 9 14.623 2.717 -0.204
71 HG3 ARG 9 1HG ARG 9 14.444 0.973 -0.014
72 HD2 ARG 9 2HD ARG 9 15.840 1.689 -1.958
73 HD3 ARG 9 1HD ARG 9 14.493 0.639 -2.381
74 HE ARG 9 HE ARG 9 13.563 3.210 -2.674
75 HH11 ARG 9 1HH1 ARG 9 16.295 1.422 -4.070
76 HH12 ARG 9 2HH1 ARG 9 16.164 2.142 -5.598
77 HH21 ARG 9 1HH2 ARG 9 13.358 4.145 -4.772
78 HH22 ARG 9 2HH2 ARG 9 14.453 3.736 -6.021
79 H GLY 10 H GLY 10 11.172 -1.403 -2.144
80 HA2 GLY 10 2HA GLY 10 11.732 -3.562 -1.533
81 HA3 GLY 10 1HA GLY 10 12.611 -2.929 -0.147
82 H VAL 11 H VAL 11 10.226 -1.319 0.661
83 HA VAL 11 HA VAL 11 9.010 -3.416 2.221
84 HB VAL 11 HB VAL 11 8.531 -0.417 2.303
85 HG11 VAL 11 1HG1 VAL 11 6.649 -1.673 3.240
86 HG12 VAL 11 2HG1 VAL 11 7.532 -0.825 4.508
87 HG13 VAL 11 3HG1 VAL 11 7.754 -2.561 4.292
88 HG21 VAL 11 3HG2 VAL 11 10.829 -0.973 2.862
89 HG22 VAL 11 1HG2 VAL 11 10.276 -2.158 4.045
90 HG23 VAL 11 2HG2 VAL 11 9.957 -0.443 4.301
91 H ABA 12 H ABA 12 7.562 -4.530 1.203
92 HA ABA 12 HA ABA 12 5.666 -3.383 -0.650
93 HB3 ABA 12 1HB ABA 12 6.001 -6.195 0.441
94 HB2 ABA 12 2HB ABA 12 6.683 -5.605 -1.066
95 HG1 ABA 12 3HG ABA 12 4.450 -5.308 -1.976
96 HG3 ABA 12 1HG ABA 12 3.758 -5.900 -0.468
97 HG2 ABA 12 2HG ABA 12 4.739 -6.970 -1.471
98 H ARG 13 H ARG 13 4.239 -2.110 0.461
99 HA ARG 13 HA ARG 13 2.950 -3.225 2.853
100 HB2 ARG 13 2HB ARG 13 4.143 -1.073 3.111
101 HB3 ARG 13 1HB ARG 13 3.129 -0.373 1.865
102 HG2 ARG 13 2HG ARG 13 2.351 0.338 4.027
103 HG3 ARG 13 1HG ARG 13 1.157 -0.747 3.315
104 HD2 ARG 13 2HD ARG 13 1.535 -1.210 5.695
105 HD3 ARG 13 1HD ARG 13 1.982 -2.584 4.679
106 HE ARG 13 HE ARG 13 4.195 -0.895 5.169
107 HH11 ARG 13 1HH1 ARG 13 2.205 -3.327 6.783
108 HH12 ARG 13 2HH1 ARG 13 3.457 -3.884 7.795
109 HH21 ARG 13 1HH2 ARG 13 5.922 -1.659 6.612
110 HH22 ARG 13 2HH2 ARG 13 5.568 -2.917 7.698
111 H ABA 14 H ABA 14 1.043 -4.212 2.293
112 HA ABA 14 HA ABA 14 -0.539 -2.967 0.175
113 HB3 ABA 14 1HB ABA 14 -0.866 -5.694 1.452
114 HB2 ABA 14 2HB ABA 14 -0.080 -5.388 -0.095
115 HG1 ABA 14 3HG ABA 14 -2.345 -6.219 -0.401
116 HG3 ABA 14 1HG ABA 14 -2.194 -4.569 -1.008
117 HG2 ABA 14 2HG ABA 14 -2.979 -4.874 0.540
118 H VAL 15 H VAL 15 -1.938 -1.571 0.795
119 HA VAL 15 HA VAL 15 -3.159 -1.846 3.436
120 HB VAL 15 HB VAL 15 -3.865 0.516 3.203
121 HG11 VAL 15 1HG1 VAL 15 -0.916 0.082 2.759
122 HG12 VAL 15 2HG1 VAL 15 -1.759 0.041 4.308
123 HG13 VAL 15 3HG1 VAL 15 -1.644 1.552 3.406
124 HG21 VAL 15 3HG2 VAL 15 -2.292 0.483 0.617
125 HG22 VAL 15 1HG2 VAL 15 -2.972 1.918 1.385
126 HG23 VAL 15 2HG2 VAL 15 -4.040 0.660 0.763
127 H CYS 16 H CYS 16 -5.413 -1.766 3.659
128 HA CYS 16 HA CYS 16 -6.936 -2.050 1.180
129 HB2 CYS 16 2HB CYS 16 -7.122 -3.895 3.574
130 HB3 CYS 16 1HB CYS 16 -8.227 -3.897 2.213
131 H ARG 17 H ARG 17 -8.776 -0.963 1.174
132 HA ARG 17 HA ARG 17 -10.348 -0.605 3.514
133 HB2 ARG 17 2HB ARG 17 -10.448 1.844 3.490
134 HB3 ARG 17 1HB ARG 17 -8.798 1.323 3.789
135 HG2 ARG 17 2HG ARG 17 -8.198 1.833 1.501
136 HG3 ARG 17 1HG ARG 17 -9.882 2.241 1.146
137 HD2 ARG 17 2HD ARG 17 -9.766 4.021 2.836
138 HD3 ARG 17 1HD ARG 17 -8.059 3.655 3.083
139 HE ARG 17 HE ARG 17 -8.465 4.071 0.378
140 HH11 ARG 17 1HH1 ARG 17 -8.602 5.987 3.361
141 HH12 ARG 17 2HH1 ARG 17 -8.155 7.441 2.617
142 HH21 ARG 17 1HH2 ARG 17 -7.919 6.072 -0.649
143 HH22 ARG 17 2HH2 ARG 17 -7.799 7.509 0.262
144 H ARG 18 H ARG 18 -12.471 -0.409 2.967
145 HA ARG 18 HA ARG 18 -14.371 -0.328 1.740
146 HB2 ARG 18 2HB ARG 18 -13.459 1.901 0.969
147 HB3 ARG 18 1HB ARG 18 -12.702 1.085 -0.379
148 HG2 ARG 18 2HG ARG 18 -14.671 2.160 -1.164
149 HG3 ARG 18 1HG ARG 18 -14.985 0.424 -1.163
150 HD2 ARG 18 2HD ARG 18 -16.898 1.612 -0.311
151 HD3 ARG 18 1HD ARG 18 -16.163 0.692 1.000
152 HE ARG 18 HE ARG 18 -14.979 3.054 1.290
153 HH11 ARG 18 1HH1 ARG 18 -18.400 2.297 0.826
154 HH12 ARG 18 2HH1 ARG 18 -18.960 3.638 1.709
155 HH21 ARG 18 1HH2 ARG 18 -15.715 4.876 2.472
156 HH22 ARG 18 2HH2 ARG 18 -17.386 5.159 2.692
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -11.817 -1.653 1.056
2 HA2 GLY 1 2HA GLY 1 -12.578 -3.740 0.301
3 HA3 GLY 1 1HA GLY 1 -13.555 -2.921 -0.910
4 H VAL 2 H VAL 2 -10.630 -1.418 -1.020
5 HA VAL 2 HA VAL 2 -9.701 -3.289 -3.060
6 HB VAL 2 HB VAL 2 -10.613 -1.182 -4.037
7 HG11 VAL 2 1HG1 VAL 2 -10.113 0.406 -2.315
8 HG12 VAL 2 2HG1 VAL 2 -9.407 0.932 -3.844
9 HG13 VAL 2 3HG1 VAL 2 -8.383 0.216 -2.597
10 HG21 VAL 2 3HG2 VAL 2 -7.652 -1.554 -4.425
11 HG22 VAL 2 1HG2 VAL 2 -8.720 -0.658 -5.507
12 HG23 VAL 2 2HG2 VAL 2 -8.946 -2.393 -5.280
13 H CYS 3 H CYS 3 -7.504 -3.745 -3.131
14 HA CYS 3 HA CYS 3 -6.057 -2.876 -0.752
15 HB2 CYS 3 2HB CYS 3 -5.679 -5.346 -2.438
16 HB3 CYS 3 1HB CYS 3 -4.761 -4.939 -0.995
17 H ARG 4 H ARG 4 -4.255 -1.848 -0.865
18 HA ARG 4 HA ARG 4 -3.038 -1.441 -3.511
19 HB2 ARG 4 2HB ARG 4 -2.983 0.386 -1.101
20 HB3 ARG 4 1HB ARG 4 -2.203 0.689 -2.640
21 HG2 ARG 4 2HG ARG 4 -5.167 0.531 -2.148
22 HG3 ARG 4 1HG ARG 4 -4.219 1.996 -2.389
23 HD2 ARG 4 2HD ARG 4 -3.609 1.167 -4.653
24 HD3 ARG 4 1HD ARG 4 -4.695 -0.203 -4.395
25 HE ARG 4 HE ARG 4 -5.811 2.420 -4.014
26 HH11 ARG 4 1HH1 ARG 4 -5.381 -0.242 -6.324
27 HH12 ARG 4 2HH1 ARG 4 -6.737 0.150 -7.271
28 HH21 ARG 4 1HH2 ARG 4 -7.672 2.955 -5.303
29 HH22 ARG 4 2HH2 ARG 4 -8.063 2.050 -6.686
30 H ABA 5 H ABA 5 -1.227 -2.560 -3.614
31 HA ABA 5 HA ABA 5 0.275 -3.146 -1.212
32 HB3 ABA 5 1HB ABA 5 0.841 -3.888 -4.105
33 HB2 ABA 5 2HB ABA 5 -0.026 -4.910 -2.968
34 HG1 ABA 5 3HG ABA 5 1.969 -5.069 -1.574
35 HG3 ABA 5 1HG ABA 5 2.846 -4.050 -2.717
36 HG2 ABA 5 2HG ABA 5 2.273 -5.644 -3.213
37 H VAL 6 H VAL 6 0.998 -1.204 -0.599
38 HA VAL 6 HA VAL 6 2.302 0.479 -2.507
39 HB VAL 6 HB VAL 6 1.097 1.635 -0.907
40 HG11 VAL 6 1HG1 VAL 6 1.612 1.609 1.552
41 HG12 VAL 6 2HG1 VAL 6 2.776 0.317 1.256
42 HG13 VAL 6 3HG1 VAL 6 1.058 0.039 0.965
43 HG21 VAL 6 3HG2 VAL 6 4.022 1.992 -0.321
44 HG22 VAL 6 1HG2 VAL 6 2.773 3.154 0.131
45 HG23 VAL 6 2HG2 VAL 6 3.070 2.792 -1.569
46 H ABA 7 H ABA 7 4.206 0.676 -2.846
47 HA ABA 7 HA ABA 7 6.082 -1.112 -1.450
48 HB3 ABA 7 1HB ABA 7 6.007 -0.515 -4.415
49 HB2 ABA 7 2HB ABA 7 5.490 -2.013 -3.659
50 HG1 ABA 7 3HG ABA 7 7.771 -2.438 -2.910
51 HG3 ABA 7 1HG ABA 7 8.287 -0.928 -3.656
52 HG2 ABA 7 2HG ABA 7 7.680 -2.247 -4.660
53 H ARG 8 H ARG 8 7.049 0.295 -0.216
54 HA ARG 8 HA ARG 8 7.927 2.866 -1.264
55 HB2 ARG 8 2HB ARG 8 8.106 1.696 1.524
56 HB3 ARG 8 1HB ARG 8 8.518 3.347 1.093
57 HG2 ARG 8 2HG ARG 8 6.173 3.709 0.405
58 HG3 ARG 8 1HG ARG 8 5.799 2.070 0.934
59 HD2 ARG 8 2HD ARG 8 5.161 3.586 2.665
60 HD3 ARG 8 1HD ARG 8 6.580 2.692 3.210
61 HE ARG 8 HE ARG 8 7.576 4.960 2.087
62 HH11 ARG 8 1HH1 ARG 8 5.299 4.265 4.700
63 HH12 ARG 8 2HH1 ARG 8 5.581 5.738 5.522
64 HH21 ARG 8 1HH2 ARG 8 7.941 7.007 3.257
65 HH22 ARG 8 2HH2 ARG 8 7.075 7.280 4.707
66 H ARG 9 H ARG 9 9.269 1.577 -2.729
67 HA ARG 9 HA ARG 9 11.129 0.669 -3.490
68 HB2 ARG 9 2HB ARG 9 11.957 2.917 -2.914
69 HB3 ARG 9 1HB ARG 9 12.386 2.358 -1.307
70 HG2 ARG 9 2HG ARG 9 14.136 1.004 -2.146
71 HG3 ARG 9 1HG ARG 9 13.584 1.195 -3.805
72 HD2 ARG 9 2HD ARG 9 15.540 2.574 -3.395
73 HD3 ARG 9 1HD ARG 9 14.129 3.567 -3.722
74 HE ARG 9 HE ARG 9 14.050 3.680 -1.137
75 HH11 ARG 9 1HH1 ARG 9 16.970 3.724 -3.131
76 HH12 ARG 9 2HH1 ARG 9 17.870 4.676 -2.054
77 HH21 ARG 9 1HH2 ARG 9 15.269 5.041 0.321
78 HH22 ARG 9 2HH2 ARG 9 16.879 5.460 -0.033
79 H GLY 10 H GLY 10 10.321 -1.363 -2.805
80 HA2 GLY 10 2HA GLY 10 11.155 -3.470 -2.212
81 HA3 GLY 10 1HA GLY 10 12.264 -2.699 -1.086
82 H VAL 11 H VAL 11 10.275 -1.099 0.221
83 HA VAL 11 HA VAL 11 9.286 -3.122 2.024
84 HB VAL 11 HB VAL 11 8.887 -0.116 2.149
85 HG11 VAL 11 1HG1 VAL 11 8.463 -0.484 4.543
86 HG12 VAL 11 2HG1 VAL 11 8.625 -2.224 4.292
87 HG13 VAL 11 3HG1 VAL 11 7.301 -1.347 3.532
88 HG21 VAL 11 3HG2 VAL 11 11.016 -1.805 3.467
89 HG22 VAL 11 1HG2 VAL 11 10.764 -0.078 3.735
90 HG23 VAL 11 2HG2 VAL 11 11.268 -0.662 2.147
91 H ABA 12 H ABA 12 7.641 -4.195 1.155
92 HA ABA 12 HA ABA 12 5.464 -2.754 -0.160
93 HB3 ABA 12 1HB ABA 12 4.703 -4.992 -0.859
94 HB2 ABA 12 2HB ABA 12 6.044 -5.714 0.021
95 HG1 ABA 12 3HG ABA 12 6.526 -5.616 -2.334
96 HG3 ABA 12 1HG ABA 12 7.620 -4.558 -1.448
97 HG2 ABA 12 2HG ABA 12 6.260 -3.878 -2.343
98 H ARG 13 H ARG 13 3.555 -2.532 0.758
99 HA ARG 13 HA ARG 13 2.782 -4.286 2.960
100 HB2 ARG 13 2HB ARG 13 3.751 -2.189 3.910
101 HB3 ARG 13 1HB ARG 13 2.551 -1.266 3.027
102 HG2 ARG 13 2HG ARG 13 0.771 -2.300 4.291
103 HG3 ARG 13 1HG ARG 13 1.938 -3.315 5.142
104 HD2 ARG 13 2HD ARG 13 3.006 -1.260 6.027
105 HD3 ARG 13 1HD ARG 13 1.745 -0.308 5.244
106 HE ARG 13 HE ARG 13 0.420 -2.138 6.752
107 HH11 ARG 13 1HH1 ARG 13 2.781 0.440 7.465
108 HH12 ARG 13 2HH1 ARG 13 2.208 0.681 9.040
109 HH21 ARG 13 1HH2 ARG 13 -0.324 -1.760 8.949
110 HH22 ARG 13 2HH2 ARG 13 0.422 -0.535 9.886
111 H ABA 14 H ABA 14 0.771 -5.049 2.576
112 HA ABA 14 HA ABA 14 -0.731 -3.796 0.419
113 HB3 ABA 14 1HB ABA 14 -1.149 -6.473 1.776
114 HB2 ABA 14 2HB ABA 14 -0.254 -6.239 0.283
115 HG1 ABA 14 3HG ABA 14 -2.287 -5.443 -0.810
116 HG3 ABA 14 1HG ABA 14 -3.182 -5.690 0.688
117 HG2 ABA 14 2HG ABA 14 -2.490 -7.072 -0.161
118 H VAL 15 H VAL 15 -1.898 -2.194 1.169
119 HA VAL 15 HA VAL 15 -3.382 -2.626 3.649
120 HB VAL 15 HB VAL 15 -1.997 -0.614 3.732
121 HG11 VAL 15 1HG1 VAL 15 -1.800 -0.115 1.366
122 HG12 VAL 15 2HG1 VAL 15 -2.345 1.308 2.251
123 HG13 VAL 15 3HG1 VAL 15 -3.496 0.363 1.309
124 HG21 VAL 15 3HG2 VAL 15 -4.921 0.087 3.475
125 HG22 VAL 15 1HG2 VAL 15 -3.707 1.076 4.286
126 HG23 VAL 15 2HG2 VAL 15 -4.117 -0.520 4.921
127 H CYS 16 H CYS 16 -5.490 -2.992 3.562
128 HA CYS 16 HA CYS 16 -6.806 -2.500 1.001
129 HB2 CYS 16 2HB CYS 16 -7.595 -4.412 3.196
130 HB3 CYS 16 1HB CYS 16 -8.376 -4.244 1.625
131 H ARG 17 H ARG 17 -8.185 -0.980 0.838
132 HA ARG 17 HA ARG 17 -9.704 -0.109 3.159
133 HB2 ARG 17 2HB ARG 17 -7.661 1.276 3.098
134 HB3 ARG 17 1HB ARG 17 -7.992 1.685 1.425
135 HG2 ARG 17 2HG ARG 17 -10.011 2.870 2.112
136 HG3 ARG 17 1HG ARG 17 -9.687 2.448 3.795
137 HD2 ARG 17 2HD ARG 17 -7.560 3.639 3.694
138 HD3 ARG 17 1HD ARG 17 -7.862 4.056 2.009
139 HE ARG 17 HE ARG 17 -10.002 4.944 3.552
140 HH11 ARG 17 1HH1 ARG 17 -6.556 5.686 3.144
141 HH12 ARG 17 2HH1 ARG 17 -6.734 7.329 3.570
142 HH21 ARG 17 1HH2 ARG 17 -10.202 7.188 4.138
143 HH22 ARG 17 2HH2 ARG 17 -8.810 8.189 4.146
144 H ARG 18 H ARG 18 -11.753 0.459 2.549
145 HA ARG 18 HA ARG 18 -13.586 0.917 1.306
146 HB2 ARG 18 2HB ARG 18 -12.104 2.713 0.291
147 HB3 ARG 18 1HB ARG 18 -11.710 1.583 -0.983
148 HG2 ARG 18 2HG ARG 18 -14.137 1.525 -1.585
149 HG3 ARG 18 1HG ARG 18 -14.403 2.813 -0.410
150 HD2 ARG 18 2HD ARG 18 -12.644 2.916 -2.855
151 HD3 ARG 18 1HD ARG 18 -14.147 3.801 -2.593
152 HE ARG 18 HE ARG 18 -12.583 4.567 -0.532
153 HH11 ARG 18 1HH1 ARG 18 -12.195 4.672 -4.049
154 HH12 ARG 18 2HH1 ARG 18 -11.109 5.976 -4.025
155 HH21 ARG 18 1HH2 ARG 18 -11.065 6.313 -0.497
156 HH22 ARG 18 2HH2 ARG 18 -10.413 6.916 -1.950
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -11.921 -1.589 1.454
2 HA2 GLY 1 2HA GLY 1 -12.670 -3.525 0.401
3 HA3 GLY 1 1HA GLY 1 -13.455 -2.544 -0.827
4 H VAL 2 H VAL 2 -10.676 -1.020 -0.836
5 HA VAL 2 HA VAL 2 -9.744 -2.842 -2.882
6 HB VAL 2 HB VAL 2 -10.352 -0.640 -3.757
7 HG11 VAL 2 1HG1 VAL 2 -9.034 1.365 -3.296
8 HG12 VAL 2 2HG1 VAL 2 -8.158 0.485 -2.040
9 HG13 VAL 2 3HG1 VAL 2 -9.886 0.776 -1.866
10 HG21 VAL 2 3HG2 VAL 2 -8.310 -0.160 -5.032
11 HG22 VAL 2 1HG2 VAL 2 -8.651 -1.886 -4.943
12 HG23 VAL 2 2HG2 VAL 2 -7.391 -1.184 -3.927
13 H CYS 3 H CYS 3 -7.955 -3.913 -2.708
14 HA CYS 3 HA CYS 3 -6.085 -3.203 -0.594
15 HB2 CYS 3 2HB CYS 3 -6.365 -5.734 -2.239
16 HB3 CYS 3 1HB CYS 3 -5.159 -5.477 -0.983
17 H ARG 4 H ARG 4 -4.322 -2.230 -1.082
18 HA ARG 4 HA ARG 4 -3.300 -2.344 -3.834
19 HB2 ARG 4 2HB ARG 4 -4.458 -0.236 -3.481
20 HB3 ARG 4 1HB ARG 4 -3.550 0.051 -2.017
21 HG2 ARG 4 2HG ARG 4 -2.779 1.475 -3.842
22 HG3 ARG 4 1HG ARG 4 -1.512 0.372 -3.327
23 HD2 ARG 4 2HD ARG 4 -3.271 -0.341 -5.648
24 HD3 ARG 4 1HD ARG 4 -1.942 0.789 -5.870
25 HE ARG 4 HE ARG 4 -0.592 -1.138 -4.797
26 HH11 ARG 4 1HH1 ARG 4 -3.221 -1.534 -7.133
27 HH12 ARG 4 2HH1 ARG 4 -2.597 -2.977 -7.781
28 HH21 ARG 4 1HH2 ARG 4 0.290 -3.091 -5.761
29 HH22 ARG 4 2HH2 ARG 4 -0.582 -3.870 -6.993
30 H ABA 5 H ABA 5 -1.515 -3.443 -3.693
31 HA ABA 5 HA ABA 5 0.311 -3.170 -1.441
32 HB3 ABA 5 1HB ABA 5 0.504 -4.861 -3.952
33 HB2 ABA 5 2HB ABA 5 -0.176 -5.418 -2.430
34 HG1 ABA 5 3HG ABA 5 1.990 -5.108 -1.345
35 HG3 ABA 5 1HG ABA 5 2.677 -4.576 -2.878
36 HG2 ABA 5 2HG ABA 5 2.083 -6.234 -2.698
37 H VAL 6 H VAL 6 1.313 -1.317 -1.511
38 HA VAL 6 HA VAL 6 2.458 -0.364 -4.037
39 HB VAL 6 HB VAL 6 2.589 0.975 -1.343
40 HG11 VAL 6 1HG1 VAL 6 4.176 1.846 -2.913
41 HG12 VAL 6 2HG1 VAL 6 2.919 3.050 -2.610
42 HG13 VAL 6 3HG1 VAL 6 2.903 2.116 -4.102
43 HG21 VAL 6 3HG2 VAL 6 0.466 1.393 -3.444
44 HG22 VAL 6 1HG2 VAL 6 0.667 2.383 -1.999
45 HG23 VAL 6 2HG2 VAL 6 0.226 0.683 -1.845
46 H ABA 7 H ABA 7 4.651 -0.193 -4.209
47 HA ABA 7 HA ABA 7 6.197 -1.675 -2.199
48 HB3 ABA 7 1HB ABA 7 7.022 -0.908 -5.020
49 HB2 ABA 7 2HB ABA 7 6.335 -2.465 -4.581
50 HG1 ABA 7 3HG ABA 7 8.746 -2.615 -4.805
51 HG3 ABA 7 1HG ABA 7 8.259 -2.909 -3.136
52 HG2 ABA 7 2HG ABA 7 8.953 -1.353 -3.592
53 H ARG 8 H ARG 8 6.684 -0.202 -0.687
54 HA ARG 8 HA ARG 8 7.855 2.341 -1.583
55 HB2 ARG 8 2HB ARG 8 5.675 2.637 -0.487
56 HB3 ARG 8 1HB ARG 8 6.251 1.753 0.917
57 HG2 ARG 8 2HG ARG 8 7.860 3.508 1.390
58 HG3 ARG 8 1HG ARG 8 7.356 4.375 -0.063
59 HD2 ARG 8 2HD ARG 8 5.593 3.738 2.306
60 HD3 ARG 8 1HD ARG 8 6.327 5.308 1.972
61 HE ARG 8 HE ARG 8 4.928 4.732 -0.292
62 HH11 ARG 8 1HH1 ARG 8 4.033 5.072 3.127
63 HH12 ARG 8 2HH1 ARG 8 2.420 5.500 2.798
64 HH21 ARG 8 1HH2 ARG 8 2.757 5.320 -0.731
65 HH22 ARG 8 2HH2 ARG 8 1.665 5.645 0.545
66 H ARG 9 H ARG 9 9.901 2.618 -1.054
67 HA ARG 9 HA ARG 9 11.960 2.384 -0.186
68 HB2 ARG 9 2HB ARG 9 10.666 3.101 1.916
69 HB3 ARG 9 1HB ARG 9 10.652 1.408 2.369
70 HG2 ARG 9 2HG ARG 9 13.172 1.466 2.267
71 HG3 ARG 9 1HG ARG 9 13.046 3.217 2.100
72 HD2 ARG 9 2HD ARG 9 13.395 2.706 4.418
73 HD3 ARG 9 1HD ARG 9 11.728 3.252 4.213
74 HE ARG 9 HE ARG 9 12.301 0.389 4.193
75 HH11 ARG 9 1HH1 ARG 9 10.855 3.131 5.890
76 HH12 ARG 9 2HH1 ARG 9 9.957 2.167 6.964
77 HH21 ARG 9 1HH2 ARG 9 11.125 -0.914 5.678
78 HH22 ARG 9 2HH2 ARG 9 10.103 -0.193 6.845
79 H GLY 10 H GLY 10 10.729 0.184 -1.560
80 HA2 GLY 10 2HA GLY 10 11.394 -1.899 -2.241
81 HA3 GLY 10 1HA GLY 10 12.713 -1.797 -1.088
82 H VAL 11 H VAL 11 9.492 -1.411 0.125
83 HA VAL 11 HA VAL 11 9.346 -4.224 0.784
84 HB VAL 11 HB VAL 11 10.398 -3.076 2.736
85 HG11 VAL 11 1HG1 VAL 11 7.878 -1.476 2.917
86 HG12 VAL 11 2HG1 VAL 11 9.499 -0.876 2.560
87 HG13 VAL 11 3HG1 VAL 11 9.137 -1.544 4.149
88 HG21 VAL 11 3HG2 VAL 11 8.907 -3.904 4.491
89 HG22 VAL 11 1HG2 VAL 11 9.073 -5.051 3.163
90 HG23 VAL 11 2HG2 VAL 11 7.614 -4.069 3.306
91 H ABA 12 H ABA 12 7.244 -4.995 1.029
92 HA ABA 12 HA ABA 12 5.385 -3.538 -0.567
93 HB3 ABA 12 1HB ABA 12 3.943 -5.544 -0.290
94 HB2 ABA 12 2HB ABA 12 5.153 -6.227 0.783
95 HG1 ABA 12 3HG ABA 12 5.349 -7.151 -1.446
96 HG3 ABA 12 1HG ABA 12 6.782 -6.210 -1.034
97 HG2 ABA 12 2HG ABA 12 5.562 -5.534 -2.116
98 H ARG 13 H ARG 13 3.828 -2.351 0.021
99 HA ARG 13 HA ARG 13 2.807 -2.404 2.773
100 HB2 ARG 13 2HB ARG 13 3.950 -0.292 2.148
101 HB3 ARG 13 1HB ARG 13 2.928 -0.156 0.732
102 HG2 ARG 13 2HG ARG 13 2.097 1.369 2.358
103 HG3 ARG 13 1HG ARG 13 0.958 0.030 2.270
104 HD2 ARG 13 2HD ARG 13 1.318 0.646 4.579
105 HD3 ARG 13 1HD ARG 13 2.008 -0.948 4.283
106 HE ARG 13 HE ARG 13 4.146 0.496 3.915
107 HH11 ARG 13 1HH1 ARG 13 1.701 1.026 6.427
108 HH12 ARG 13 2HH1 ARG 13 2.804 1.603 7.574
109 HH21 ARG 13 1HH2 ARG 13 5.661 1.299 5.483
110 HH22 ARG 13 2HH2 ARG 13 5.123 1.779 7.017
111 H ABA 14 H ABA 14 1.223 -4.016 2.246
112 HA ABA 14 HA ABA 14 -0.672 -3.282 0.136
113 HB3 ABA 14 1HB ABA 14 -0.433 -5.896 1.646
114 HB2 ABA 14 2HB ABA 14 0.251 -5.601 0.053
115 HG1 ABA 14 3HG ABA 14 -1.835 -6.847 -0.091
116 HG3 ABA 14 1HG ABA 14 -1.989 -5.263 -0.854
117 HG2 ABA 14 2HG ABA 14 -2.679 -5.540 0.744
118 H VAL 15 H VAL 15 -2.051 -1.959 0.820
119 HA VAL 15 HA VAL 15 -3.255 -2.460 3.437
120 HB VAL 15 HB VAL 15 -4.015 -0.080 3.404
121 HG11 VAL 15 1HG1 VAL 15 -1.997 -0.666 4.608
122 HG12 VAL 15 2HG1 VAL 15 -1.817 0.925 3.868
123 HG13 VAL 15 3HG1 VAL 15 -1.043 -0.484 3.137
124 HG21 VAL 15 3HG2 VAL 15 -3.996 0.296 0.978
125 HG22 VAL 15 1HG2 VAL 15 -2.236 0.156 0.967
126 HG23 VAL 15 2HG2 VAL 15 -3.011 1.500 1.811
127 H CYS 16 H CYS 16 -5.391 -2.708 3.612
128 HA CYS 16 HA CYS 16 -6.957 -2.654 1.140
129 HB2 CYS 16 2HB CYS 16 -7.315 -4.409 3.587
130 HB3 CYS 16 1HB CYS 16 -8.392 -4.375 2.202
131 H ARG 17 H ARG 17 -8.225 -0.973 1.131
132 HA ARG 17 HA ARG 17 -9.655 -0.253 3.549
133 HB2 ARG 17 2HB ARG 17 -7.557 1.068 3.543
134 HB3 ARG 17 1HB ARG 17 -7.989 1.703 1.963
135 HG2 ARG 17 2HG ARG 17 -9.974 2.740 2.931
136 HG3 ARG 17 1HG ARG 17 -9.520 2.115 4.515
137 HD2 ARG 17 2HD ARG 17 -7.399 3.358 4.361
138 HD3 ARG 17 1HD ARG 17 -7.932 4.012 2.813
139 HE ARG 17 HE ARG 17 -9.738 4.440 4.991
140 HH11 ARG 17 1HH1 ARG 17 -7.061 5.757 3.107
141 HH12 ARG 17 2HH1 ARG 17 -7.267 7.358 3.677
142 HH21 ARG 17 1HH2 ARG 17 -10.036 6.625 5.755
143 HH22 ARG 17 2HH2 ARG 17 -8.990 7.845 5.216
144 H ARG 18 H ARG 18 -11.668 0.414 3.056
145 HA ARG 18 HA ARG 18 -13.541 0.868 1.922
146 HB2 ARG 18 2HB ARG 18 -12.251 2.929 1.248
147 HB3 ARG 18 1HB ARG 18 -11.710 2.083 -0.187
148 HG2 ARG 18 2HG ARG 18 -13.468 3.527 -0.877
149 HG3 ARG 18 1HG ARG 18 -14.145 1.903 -0.853
150 HD2 ARG 18 2HD ARG 18 -14.476 3.984 1.308
151 HD3 ARG 18 1HD ARG 18 -15.673 3.598 0.079
152 HE ARG 18 HE ARG 18 -15.336 1.232 1.250
153 HH11 ARG 18 1HH1 ARG 18 -15.916 4.435 2.597
154 HH12 ARG 18 2HH1 ARG 18 -16.625 3.883 4.036
155 HH21 ARG 18 1HH2 ARG 18 -16.308 0.448 3.206
156 HH22 ARG 18 2HH2 ARG 18 -16.863 1.553 4.381
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -11.527 -1.659 1.758
2 HA2 GLY 1 2HA GLY 1 -12.349 -3.802 1.184
3 HA3 GLY 1 1HA GLY 1 -13.497 -3.040 0.095
4 H VAL 2 H VAL 2 -10.755 -1.391 -0.539
5 HA VAL 2 HA VAL 2 -10.027 -3.332 -2.602
6 HB VAL 2 HB VAL 2 -10.902 -1.152 -3.469
7 HG11 VAL 2 1HG1 VAL 2 -8.442 0.072 -2.250
8 HG12 VAL 2 2HG1 VAL 2 -10.115 0.366 -1.781
9 HG13 VAL 2 3HG1 VAL 2 -9.544 0.877 -3.369
10 HG21 VAL 2 3HG2 VAL 2 -8.017 -1.701 -4.164
11 HG22 VAL 2 1HG2 VAL 2 -9.139 -0.756 -5.142
12 HG23 VAL 2 2HG2 VAL 2 -9.428 -2.475 -4.878
13 H CYS 3 H CYS 3 -7.896 -3.870 -2.918
14 HA CYS 3 HA CYS 3 -6.072 -2.955 -0.825
15 HB2 CYS 3 2HB CYS 3 -6.295 -5.700 -2.051
16 HB3 CYS 3 1HB CYS 3 -5.026 -5.196 -0.941
17 H ARG 4 H ARG 4 -4.482 -1.865 -1.582
18 HA ARG 4 HA ARG 4 -3.413 -2.538 -4.229
19 HB2 ARG 4 2HB ARG 4 -4.492 -0.340 -4.297
20 HB3 ARG 4 1HB ARG 4 -3.572 0.182 -2.894
21 HG2 ARG 4 2HG ARG 4 -1.503 0.011 -4.194
22 HG3 ARG 4 1HG ARG 4 -2.437 -0.521 -5.593
23 HD2 ARG 4 2HD ARG 4 -3.555 1.586 -5.729
24 HD3 ARG 4 1HD ARG 4 -2.863 2.115 -4.193
25 HE ARG 4 HE ARG 4 -0.905 1.434 -6.160
26 HH11 ARG 4 1HH1 ARG 4 -3.076 4.047 -5.153
27 HH12 ARG 4 2HH1 ARG 4 -2.019 5.304 -5.568
28 HH21 ARG 4 1HH2 ARG 4 0.593 3.172 -6.750
29 HH22 ARG 4 2HH2 ARG 4 0.135 4.788 -6.498
30 H ABA 5 H ABA 5 -1.447 -3.332 -4.112
31 HA ABA 5 HA ABA 5 0.053 -2.996 -1.635
32 HB3 ABA 5 1HB ABA 5 0.445 -4.974 -3.893
33 HB2 ABA 5 2HB ABA 5 -0.420 -5.309 -2.401
34 HG1 ABA 5 3HG ABA 5 2.501 -4.630 -2.616
35 HG3 ABA 5 1HG ABA 5 1.824 -6.235 -2.347
36 HG2 ABA 5 2HG ABA 5 1.626 -4.977 -1.124
37 H VAL 6 H VAL 6 1.208 -1.255 -1.687
38 HA VAL 6 HA VAL 6 2.585 -0.535 -4.155
39 HB VAL 6 HB VAL 6 3.076 1.639 -3.061
40 HG11 VAL 6 1HG1 VAL 6 0.165 0.880 -3.012
41 HG12 VAL 6 2HG1 VAL 6 1.080 1.426 -4.420
42 HG13 VAL 6 3HG1 VAL 6 0.793 2.525 -3.067
43 HG21 VAL 6 3HG2 VAL 6 1.988 2.245 -0.952
44 HG22 VAL 6 1HG2 VAL 6 3.108 0.904 -0.721
45 HG23 VAL 6 2HG2 VAL 6 1.376 0.596 -0.784
46 H ABA 7 H ABA 7 4.770 -0.385 -4.279
47 HA ABA 7 HA ABA 7 6.197 -1.574 -2.020
48 HB3 ABA 7 1HB ABA 7 7.114 -1.288 -4.893
49 HB2 ABA 7 2HB ABA 7 6.399 -2.751 -4.231
50 HG1 ABA 7 3HG ABA 7 8.814 -2.944 -4.340
51 HG3 ABA 7 1HG ABA 7 8.272 -2.945 -2.660
52 HG2 ABA 7 2HG ABA 7 8.992 -1.492 -3.353
53 H ARG 8 H ARG 8 6.805 -0.006 -0.758
54 HA ARG 8 HA ARG 8 8.442 2.116 -1.883
55 HB2 ARG 8 2HB ARG 8 6.123 3.036 -1.565
56 HB3 ARG 8 1HB ARG 8 6.254 2.655 0.145
57 HG2 ARG 8 2HG ARG 8 8.137 4.192 0.362
58 HG3 ARG 8 1HG ARG 8 8.043 4.557 -1.359
59 HD2 ARG 8 2HD ARG 8 6.956 6.309 -0.141
60 HD3 ARG 8 1HD ARG 8 5.741 5.374 -1.014
61 HE ARG 8 HE ARG 8 6.267 4.770 1.794
62 HH11 ARG 8 1HH1 ARG 8 4.033 6.077 -0.647
63 HH12 ARG 8 2HH1 ARG 8 2.691 6.067 0.396
64 HH21 ARG 8 1HH2 ARG 8 4.389 4.835 3.227
65 HH22 ARG 8 2HH2 ARG 8 2.900 5.389 2.624
66 H ARG 9 H ARG 9 10.139 2.573 -0.645
67 HA ARG 9 HA ARG 9 11.745 2.384 0.855
68 HB2 ARG 9 2HB ARG 9 10.006 3.116 2.545
69 HB3 ARG 9 1HB ARG 9 9.632 1.427 2.833
70 HG2 ARG 9 2HG ARG 9 11.860 1.057 3.713
71 HG3 ARG 9 1HG ARG 9 12.304 2.725 3.353
72 HD2 ARG 9 2HD ARG 9 10.630 3.521 4.930
73 HD3 ARG 9 1HD ARG 9 10.128 1.860 5.254
74 HE ARG 9 HE ARG 9 12.644 1.659 5.868
75 HH11 ARG 9 1HH1 ARG 9 10.458 4.312 6.747
76 HH12 ARG 9 2HH1 ARG 9 11.332 4.713 8.164
77 HH21 ARG 9 1HH2 ARG 9 13.785 2.194 7.783
78 HH22 ARG 9 2HH2 ARG 9 13.257 3.469 8.782
79 H GLY 10 H GLY 10 10.860 0.352 -0.913
80 HA2 GLY 10 2HA GLY 10 11.574 -1.657 -1.642
81 HA3 GLY 10 1HA GLY 10 12.781 -1.626 -0.373
82 H VAL 11 H VAL 11 9.282 -1.613 0.027
83 HA VAL 11 HA VAL 11 9.240 -4.392 0.718
84 HB VAL 11 HB VAL 11 10.014 -3.337 2.823
85 HG11 VAL 11 1HG1 VAL 11 7.495 -1.725 2.707
86 HG12 VAL 11 2HG1 VAL 11 9.150 -1.126 2.587
87 HG13 VAL 11 3HG1 VAL 11 8.572 -1.839 4.097
88 HG21 VAL 11 3HG2 VAL 11 8.269 -4.189 4.360
89 HG22 VAL 11 1HG2 VAL 11 8.639 -5.313 3.050
90 HG23 VAL 11 2HG2 VAL 11 7.172 -4.335 2.986
91 H ABA 12 H ABA 12 7.125 -5.214 0.697
92 HA ABA 12 HA ABA 12 5.317 -3.621 -0.879
93 HB3 ABA 12 1HB ABA 12 3.982 -5.705 -1.000
94 HB2 ABA 12 2HB ABA 12 5.147 -6.486 0.060
95 HG1 ABA 12 3HG ABA 12 5.551 -7.090 -2.236
96 HG3 ABA 12 1HG ABA 12 6.894 -6.132 -1.613
97 HG2 ABA 12 2HG ABA 12 5.705 -5.391 -2.685
98 H ARG 13 H ARG 13 3.948 -2.355 0.023
99 HA ARG 13 HA ARG 13 2.845 -3.014 2.652
100 HB2 ARG 13 2HB ARG 13 4.074 -0.853 2.406
101 HB3 ARG 13 1HB ARG 13 2.938 -0.379 1.161
102 HG2 ARG 13 2HG ARG 13 2.414 0.700 3.263
103 HG3 ARG 13 1HG ARG 13 1.123 -0.403 2.795
104 HD2 ARG 13 2HD ARG 13 1.657 -0.532 5.188
105 HD3 ARG 13 1HD ARG 13 1.925 -2.068 4.367
106 HE ARG 13 HE ARG 13 4.345 -0.753 4.340
107 HH11 ARG 13 1HH1 ARG 13 2.130 -1.844 6.902
108 HH12 ARG 13 2HH1 ARG 13 3.403 -2.192 7.999
109 HH21 ARG 13 1HH2 ARG 13 6.051 -1.288 5.868
110 HH22 ARG 13 2HH2 ARG 13 5.634 -1.901 7.398
111 H ABA 14 H ABA 14 1.030 -4.209 2.238
112 HA ABA 14 HA ABA 14 -0.658 -3.529 -0.010
113 HB3 ABA 14 1HB ABA 14 -1.003 -5.671 2.099
114 HB2 ABA 14 2HB ABA 14 -0.215 -5.916 0.545
115 HG1 ABA 14 3HG ABA 14 -2.492 -6.761 0.530
116 HG3 ABA 14 1HG ABA 14 -2.307 -5.421 -0.600
117 HG2 ABA 14 2HG ABA 14 -3.098 -5.162 0.952
118 H VAL 15 H VAL 15 -1.774 -1.795 0.252
119 HA VAL 15 HA VAL 15 -2.915 -1.181 2.844
120 HB VAL 15 HB VAL 15 -2.962 0.425 0.270
121 HG11 VAL 15 1HG1 VAL 15 -3.606 2.316 1.697
122 HG12 VAL 15 2HG1 VAL 15 -3.652 1.238 3.094
123 HG13 VAL 15 3HG1 VAL 15 -4.792 1.011 1.768
124 HG21 VAL 15 3HG2 VAL 15 -0.675 0.161 1.089
125 HG22 VAL 15 1HG2 VAL 15 -1.173 0.727 2.684
126 HG23 VAL 15 2HG2 VAL 15 -1.223 1.821 1.299
127 H CYS 16 H CYS 16 -4.750 -2.206 3.214
128 HA CYS 16 HA CYS 16 -6.711 -2.374 1.066
129 HB2 CYS 16 2HB CYS 16 -6.540 -3.859 3.706
130 HB3 CYS 16 1HB CYS 16 -7.878 -4.001 2.570
131 H ARG 17 H ARG 17 -8.177 -0.892 1.054
132 HA ARG 17 HA ARG 17 -9.227 0.168 3.536
133 HB2 ARG 17 2HB ARG 17 -7.291 1.620 2.885
134 HB3 ARG 17 1HB ARG 17 -8.090 1.934 1.354
135 HG2 ARG 17 2HG ARG 17 -8.434 3.791 2.836
136 HG3 ARG 17 1HG ARG 17 -9.970 2.961 2.577
137 HD2 ARG 17 2HD ARG 17 -9.661 3.572 4.925
138 HD3 ARG 17 1HD ARG 17 -9.744 1.824 4.725
139 HE ARG 17 HE ARG 17 -7.071 2.736 4.649
140 HH11 ARG 17 1HH1 ARG 17 -9.679 2.181 6.984
141 HH12 ARG 17 2HH1 ARG 17 -8.609 1.792 8.266
142 HH21 ARG 17 1HH2 ARG 17 -5.646 2.238 6.423
143 HH22 ARG 17 2HH2 ARG 17 -6.300 1.866 7.950
144 H ARG 18 H ARG 18 -11.364 0.494 3.299
145 HA ARG 18 HA ARG 18 -13.419 0.719 2.455
146 HB2 ARG 18 2HB ARG 18 -12.420 2.716 1.293
147 HB3 ARG 18 1HB ARG 18 -12.072 1.702 -0.092
148 HG2 ARG 18 2HG ARG 18 -14.042 3.023 -0.534
149 HG3 ARG 18 1HG ARG 18 -14.495 1.327 -0.387
150 HD2 ARG 18 2HD ARG 18 -16.103 2.675 0.795
151 HD3 ARG 18 1HD ARG 18 -15.167 1.758 1.967
152 HE ARG 18 HE ARG 18 -14.437 4.516 1.328
153 HH11 ARG 18 1HH1 ARG 18 -15.459 2.144 3.756
154 HH12 ARG 18 2HH1 ARG 18 -15.356 3.228 5.061
155 HH21 ARG 18 1HH2 ARG 18 -14.320 6.012 3.141
156 HH22 ARG 18 2HH2 ARG 18 -14.685 5.476 4.702
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -11.872 -2.446 1.839
2 HA2 GLY 1 2HA GLY 1 -11.856 -4.474 0.738
3 HA3 GLY 1 1HA GLY 1 -13.204 -3.929 -0.243
4 H VAL 2 H VAL 2 -11.001 -1.487 -0.542
5 HA VAL 2 HA VAL 2 -9.859 -2.834 -2.859
6 HB VAL 2 HB VAL 2 -9.363 -0.672 -3.880
7 HG11 VAL 2 1HG1 VAL 2 -11.629 0.146 -4.296
8 HG12 VAL 2 2HG1 VAL 2 -12.198 -0.855 -2.958
9 HG13 VAL 2 3HG1 VAL 2 -11.492 -1.612 -4.386
10 HG21 VAL 2 3HG2 VAL 2 -8.950 0.698 -1.900
11 HG22 VAL 2 1HG2 VAL 2 -10.658 0.608 -1.470
12 HG23 VAL 2 2HG2 VAL 2 -10.164 1.457 -2.932
13 H CYS 3 H CYS 3 -7.767 -3.105 -3.117
14 HA CYS 3 HA CYS 3 -6.104 -2.246 -0.866
15 HB2 CYS 3 2HB CYS 3 -5.981 -4.824 -2.424
16 HB3 CYS 3 1HB CYS 3 -4.826 -4.333 -1.190
17 H ARG 4 H ARG 4 -4.188 -1.412 -1.252
18 HA ARG 4 HA ARG 4 -3.203 -1.397 -3.991
19 HB2 ARG 4 2HB ARG 4 -3.176 0.800 -1.931
20 HB3 ARG 4 1HB ARG 4 -2.020 0.771 -3.249
21 HG2 ARG 4 2HG ARG 4 -5.012 0.820 -3.575
22 HG3 ARG 4 1HG ARG 4 -3.950 2.226 -3.698
23 HD2 ARG 4 2HD ARG 4 -2.749 1.122 -5.557
24 HD3 ARG 4 1HD ARG 4 -3.865 -0.236 -5.453
25 HE ARG 4 HE ARG 4 -5.359 2.069 -5.768
26 HH11 ARG 4 1HH1 ARG 4 -3.012 0.171 -7.673
27 HH12 ARG 4 2HH1 ARG 4 -3.709 0.603 -9.166
28 HH21 ARG 4 1HH2 ARG 4 -6.225 2.676 -7.868
29 HH22 ARG 4 2HH2 ARG 4 -5.515 2.018 -9.273
30 H ABA 5 H ABA 5 -1.670 -2.765 -4.048
31 HA ABA 5 HA ABA 5 0.097 -3.144 -1.783
32 HB3 ABA 5 1HB ABA 5 0.032 -4.527 -4.480
33 HB2 ABA 5 2HB ABA 5 -0.785 -5.120 -3.039
34 HG1 ABA 5 3HG ABA 5 1.294 -6.302 -3.415
35 HG3 ABA 5 1HG ABA 5 1.356 -5.377 -1.915
36 HG2 ABA 5 2HG ABA 5 2.185 -4.782 -3.351
37 H VAL 6 H VAL 6 1.631 -1.738 -1.627
38 HA VAL 6 HA VAL 6 2.937 -0.873 -4.066
39 HB VAL 6 HB VAL 6 1.714 0.962 -3.467
40 HG11 VAL 6 1HG1 VAL 6 1.068 0.385 -1.164
41 HG12 VAL 6 2HG1 VAL 6 1.728 2.021 -1.180
42 HG13 VAL 6 3HG1 VAL 6 2.717 0.675 -0.609
43 HG21 VAL 6 3HG2 VAL 6 3.387 2.693 -2.785
44 HG22 VAL 6 1HG2 VAL 6 3.944 1.595 -4.052
45 HG23 VAL 6 2HG2 VAL 6 4.493 1.376 -2.394
46 H ABA 7 H ABA 7 4.871 -1.013 -4.134
47 HA ABA 7 HA ABA 7 6.414 -1.938 -1.812
48 HB3 ABA 7 1HB ABA 7 7.216 -1.902 -4.742
49 HB2 ABA 7 2HB ABA 7 6.565 -3.307 -3.907
50 HG1 ABA 7 3HG ABA 7 8.505 -3.341 -2.428
51 HG3 ABA 7 1HG ABA 7 9.161 -1.932 -3.262
52 HG2 ABA 7 2HG ABA 7 8.979 -3.460 -4.122
53 H ARG 8 H ARG 8 7.030 -0.242 -0.727
54 HA ARG 8 HA ARG 8 8.292 1.961 -2.198
55 HB2 ARG 8 2HB ARG 8 6.027 2.583 -1.386
56 HB3 ARG 8 1HB ARG 8 6.537 2.203 0.251
57 HG2 ARG 8 2HG ARG 8 8.172 3.997 0.178
58 HG3 ARG 8 1HG ARG 8 7.722 4.355 -1.492
59 HD2 ARG 8 2HD ARG 8 5.915 4.523 0.911
60 HD3 ARG 8 1HD ARG 8 6.634 5.892 0.063
61 HE ARG 8 HE ARG 8 5.348 4.727 -1.918
62 HH11 ARG 8 1HH1 ARG 8 4.226 5.454 1.364
63 HH12 ARG 8 2HH1 ARG 8 2.583 5.597 0.951
64 HH21 ARG 8 1HH2 ARG 8 3.073 4.923 -2.507
65 HH22 ARG 8 2HH2 ARG 8 1.905 5.286 -1.342
66 H ARG 9 H ARG 9 10.290 2.202 -1.620
67 HA ARG 9 HA ARG 9 12.265 2.081 -0.553
68 HB2 ARG 9 2HB ARG 9 10.978 3.521 1.128
69 HB3 ARG 9 1HB ARG 9 10.677 2.056 2.041
70 HG2 ARG 9 2HG ARG 9 12.486 3.247 3.083
71 HG3 ARG 9 1HG ARG 9 13.147 1.798 2.330
72 HD2 ARG 9 2HD ARG 9 13.213 4.567 1.107
73 HD3 ARG 9 1HD ARG 9 14.546 3.834 1.995
74 HE ARG 9 HE ARG 9 14.290 2.024 0.174
75 HH11 ARG 9 1HH1 ARG 9 14.226 5.541 -0.302
76 HH12 ARG 9 2HH1 ARG 9 14.525 5.437 -1.976
77 HH21 ARG 9 1HH2 ARG 9 14.693 1.916 -2.140
78 HH22 ARG 9 2HH2 ARG 9 14.773 3.361 -3.038
79 H GLY 10 H GLY 10 10.929 -0.254 -1.391
80 HA2 GLY 10 2HA GLY 10 11.666 -2.462 -1.486
81 HA3 GLY 10 1HA GLY 10 12.477 -2.240 0.059
82 H VAL 11 H VAL 11 9.727 -1.027 0.900
83 HA VAL 11 HA VAL 11 8.874 -3.512 2.091
84 HB VAL 11 HB VAL 11 7.794 -0.711 2.486
85 HG11 VAL 11 1HG1 VAL 11 6.221 -2.446 3.163
86 HG12 VAL 11 2HG1 VAL 11 6.862 -1.578 4.558
87 HG13 VAL 11 3HG1 VAL 11 7.464 -3.190 4.173
88 HG21 VAL 11 3HG2 VAL 11 9.825 -2.225 4.126
89 HG22 VAL 11 1HG2 VAL 11 9.136 -0.651 4.528
90 HG23 VAL 11 2HG2 VAL 11 10.153 -0.827 3.097
91 H ABA 12 H ABA 12 7.474 -4.730 1.059
92 HA ABA 12 HA ABA 12 5.603 -3.630 -0.865
93 HB3 ABA 12 1HB ABA 12 5.960 -6.486 0.110
94 HB2 ABA 12 2HB ABA 12 6.776 -5.801 -1.290
95 HG1 ABA 12 3HG ABA 12 3.804 -6.163 -0.995
96 HG3 ABA 12 1HG ABA 12 4.887 -7.169 -1.962
97 HG2 ABA 12 2HG ABA 12 4.628 -5.477 -2.395
98 H ARG 13 H ARG 13 4.188 -2.447 0.274
99 HA ARG 13 HA ARG 13 2.874 -3.638 2.600
100 HB2 ARG 13 2HB ARG 13 4.138 -1.561 2.978
101 HB3 ARG 13 1HB ARG 13 3.181 -0.753 1.754
102 HG2 ARG 13 2HG ARG 13 1.188 -1.007 3.145
103 HG3 ARG 13 1HG ARG 13 2.151 -1.847 4.362
104 HD2 ARG 13 2HD ARG 13 2.610 0.992 3.426
105 HD3 ARG 13 1HD ARG 13 1.822 0.514 4.930
106 HE ARG 13 HE ARG 13 4.116 -0.695 5.258
107 HH11 ARG 13 1HH1 ARG 13 3.587 2.612 4.080
108 HH12 ARG 13 2HH1 ARG 13 5.068 3.202 4.675
109 HH21 ARG 13 1HH2 ARG 13 6.084 0.123 6.090
110 HH22 ARG 13 2HH2 ARG 13 6.543 1.749 5.848
111 H ABA 14 H ABA 14 0.807 -4.203 2.368
112 HA ABA 14 HA ABA 14 -0.663 -3.254 0.020
113 HB3 ABA 14 1HB ABA 14 -1.171 -5.669 1.784
114 HB2 ABA 14 2HB ABA 14 -0.371 -5.710 0.217
115 HG1 ABA 14 3HG ABA 14 -3.229 -4.911 0.711
116 HG3 ABA 14 1HG ABA 14 -2.672 -6.444 0.037
117 HG2 ABA 14 2HG ABA 14 -2.423 -4.944 -0.857
118 H VAL 15 H VAL 15 -1.748 -1.523 0.537
119 HA VAL 15 HA VAL 15 -2.970 -1.286 3.188
120 HB VAL 15 HB VAL 15 -2.881 0.798 0.993
121 HG11 VAL 15 1HG1 VAL 15 -3.431 1.038 3.946
122 HG12 VAL 15 2HG1 VAL 15 -4.616 1.176 2.652
123 HG13 VAL 15 3HG1 VAL 15 -3.333 2.382 2.811
124 HG21 VAL 15 3HG2 VAL 15 -0.602 0.208 1.629
125 HG22 VAL 15 1HG2 VAL 15 -1.002 0.442 3.329
126 HG23 VAL 15 2HG2 VAL 15 -1.006 1.820 2.224
127 H CYS 16 H CYS 16 -5.033 -1.858 3.412
128 HA CYS 16 HA CYS 16 -6.762 -1.837 1.036
129 HB2 CYS 16 2HB CYS 16 -6.878 -3.681 3.429
130 HB3 CYS 16 1HB CYS 16 -8.001 -3.688 2.078
131 H ARG 17 H ARG 17 -8.646 -0.784 1.151
132 HA ARG 17 HA ARG 17 -9.913 -0.289 3.664
133 HB2 ARG 17 2HB ARG 17 -10.081 2.125 3.435
134 HB3 ARG 17 1HB ARG 17 -8.389 1.674 3.511
135 HG2 ARG 17 2HG ARG 17 -8.201 1.987 1.093
136 HG3 ARG 17 1HG ARG 17 -9.916 2.394 1.012
137 HD2 ARG 17 2HD ARG 17 -8.697 4.440 1.016
138 HD3 ARG 17 1HD ARG 17 -9.463 4.280 2.590
139 HE ARG 17 HE ARG 17 -6.638 3.680 2.057
140 HH11 ARG 17 1HH1 ARG 17 -9.110 4.799 4.332
141 HH12 ARG 17 2HH1 ARG 17 -8.026 5.580 5.372
142 HH21 ARG 17 1HH2 ARG 17 -5.118 4.724 3.518
143 HH22 ARG 17 2HH2 ARG 17 -5.689 5.526 4.897
144 H ARG 18 H ARG 18 -12.039 -0.372 3.391
145 HA ARG 18 HA ARG 18 -14.072 -0.643 2.457
146 HB2 ARG 18 2HB ARG 18 -13.616 1.754 1.692
147 HB3 ARG 18 1HB ARG 18 -13.086 1.086 0.159
148 HG2 ARG 18 2HG ARG 18 -15.346 0.071 -0.102
149 HG3 ARG 18 1HG ARG 18 -15.846 0.938 1.348
150 HD2 ARG 18 2HD ARG 18 -15.295 3.056 0.257
151 HD3 ARG 18 1HD ARG 18 -14.809 2.176 -1.198
152 HE ARG 18 HE ARG 18 -17.527 2.072 -0.083
153 HH11 ARG 18 1HH1 ARG 18 -15.409 2.536 -2.914
154 HH12 ARG 18 2HH1 ARG 18 -16.693 2.486 -4.033
155 HH21 ARG 18 1HH2 ARG 18 -19.233 2.054 -1.592
156 HH22 ARG 18 2HH2 ARG 18 -18.941 2.238 -3.263
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -10.510 0.047 1.972
2 HA2 GLY 1 2HA GLY 1 -11.558 -2.055 2.186
3 HA3 GLY 1 1HA GLY 1 -12.628 -1.607 0.873
4 H VAL 2 H VAL 2 -9.941 -0.741 -0.587
5 HA VAL 2 HA VAL 2 -9.707 -3.439 -1.611
6 HB VAL 2 HB VAL 2 -8.796 -2.492 -3.736
7 HG11 VAL 2 1HG1 VAL 2 -11.126 -3.088 -3.569
8 HG12 VAL 2 2HG1 VAL 2 -10.945 -1.643 -4.566
9 HG13 VAL 2 3HG1 VAL 2 -11.513 -1.501 -2.902
10 HG21 VAL 2 3HG2 VAL 2 -9.104 -0.098 -4.216
11 HG22 VAL 2 1HG2 VAL 2 -7.941 -0.352 -2.911
12 HG23 VAL 2 2HG2 VAL 2 -9.583 0.172 -2.538
13 H CYS 3 H CYS 3 -8.056 -4.609 -1.278
14 HA CYS 3 HA CYS 3 -5.650 -3.485 -0.155
15 HB2 CYS 3 2HB CYS 3 -6.684 -6.243 -0.514
16 HB3 CYS 3 1HB CYS 3 -4.948 -6.031 -0.398
17 H ARG 4 H ARG 4 -4.377 -2.482 -1.346
18 HA ARG 4 HA ARG 4 -3.683 -3.584 -3.964
19 HB2 ARG 4 2HB ARG 4 -3.181 -0.824 -2.848
20 HB3 ARG 4 1HB ARG 4 -2.757 -1.367 -4.463
21 HG2 ARG 4 2HG ARG 4 -5.521 -1.042 -3.330
22 HG3 ARG 4 1HG ARG 4 -4.758 -0.063 -4.586
23 HD2 ARG 4 2HD ARG 4 -4.619 -2.082 -6.010
24 HD3 ARG 4 1HD ARG 4 -5.480 -2.987 -4.771
25 HE ARG 4 HE ARG 4 -6.799 -0.610 -5.644
26 HH11 ARG 4 1HH1 ARG 4 -6.443 -4.096 -6.248
27 HH12 ARG 4 2HH1 ARG 4 -7.940 -4.244 -7.023
28 HH21 ARG 4 1HH2 ARG 4 -8.815 -0.822 -6.714
29 HH22 ARG 4 2HH2 ARG 4 -9.339 -2.338 -7.280
30 H ABA 5 H ABA 5 -1.679 -4.155 -4.392
31 HA ABA 5 HA ABA 5 0.157 -4.422 -2.164
32 HB3 ABA 5 1HB ABA 5 0.339 -5.466 -5.003
33 HB2 ABA 5 2HB ABA 5 -0.416 -6.351 -3.683
34 HG1 ABA 5 3HG ABA 5 1.818 -7.160 -4.115
35 HG3 ABA 5 1HG ABA 5 1.695 -6.443 -2.506
36 HG2 ABA 5 2HG ABA 5 2.468 -5.549 -3.820
37 H VAL 6 H VAL 6 0.992 -2.415 -1.874
38 HA VAL 6 HA VAL 6 2.175 -1.118 -4.211
39 HB VAL 6 HB VAL 6 0.393 0.166 -3.367
40 HG11 VAL 6 1HG1 VAL 6 0.257 -0.588 -1.062
41 HG12 VAL 6 2HG1 VAL 6 0.381 1.170 -1.078
42 HG13 VAL 6 3HG1 VAL 6 1.795 0.190 -0.685
43 HG21 VAL 6 3HG2 VAL 6 3.033 1.443 -2.690
44 HG22 VAL 6 1HG2 VAL 6 1.518 2.335 -2.835
45 HG23 VAL 6 2HG2 VAL 6 2.176 1.492 -4.232
46 H ABA 7 H ABA 7 4.085 -0.217 -4.053
47 HA ABA 7 HA ABA 7 5.831 -1.351 -2.001
48 HB3 ABA 7 1HB ABA 7 6.553 0.083 -4.574
49 HB2 ABA 7 2HB ABA 7 6.502 -1.663 -4.375
50 HG1 ABA 7 3HG ABA 7 8.793 -0.831 -4.282
51 HG3 ABA 7 1HG ABA 7 8.307 -1.539 -2.740
52 HG2 ABA 7 2HG ABA 7 8.359 0.212 -2.926
53 H ARG 8 H ARG 8 5.890 -0.155 -0.292
54 HA ARG 8 HA ARG 8 6.366 2.717 -0.594
55 HB2 ARG 8 2HB ARG 8 5.077 3.111 1.443
56 HB3 ARG 8 1HB ARG 8 4.061 2.338 0.238
57 HG2 ARG 8 2HG ARG 8 4.286 0.212 1.391
58 HG3 ARG 8 1HG ARG 8 5.379 0.940 2.565
59 HD2 ARG 8 2HD ARG 8 3.523 2.535 3.133
60 HD3 ARG 8 1HD ARG 8 2.462 1.542 2.134
61 HE ARG 8 HE ARG 8 3.879 0.024 4.071
62 HH11 ARG 8 1HH1 ARG 8 1.061 2.106 3.647
63 HH12 ARG 8 2HH1 ARG 8 0.234 1.530 5.021
64 HH21 ARG 8 1HH2 ARG 8 2.754 -0.799 5.936
65 HH22 ARG 8 2HH2 ARG 8 1.217 -0.206 6.339
66 H ARG 9 H ARG 9 8.118 3.416 0.503
67 HA ARG 9 HA ARG 9 10.069 3.385 1.657
68 HB2 ARG 9 2HB ARG 9 8.403 3.202 3.565
69 HB3 ARG 9 1HB ARG 9 8.609 1.463 3.512
70 HG2 ARG 9 2HG ARG 9 9.846 2.459 5.356
71 HG3 ARG 9 1HG ARG 9 10.947 1.725 4.190
72 HD2 ARG 9 2HD ARG 9 11.452 3.885 3.246
73 HD3 ARG 9 1HD ARG 9 10.258 4.658 4.290
74 HE ARG 9 HE ARG 9 11.907 3.471 6.037
75 HH11 ARG 9 1HH1 ARG 9 12.518 5.595 3.310
76 HH12 ARG 9 2HH1 ARG 9 13.908 6.325 3.981
77 HH21 ARG 9 1HH2 ARG 9 13.836 4.508 7.008
78 HH22 ARG 9 2HH2 ARG 9 14.645 5.707 6.117
79 H GLY 10 H GLY 10 9.629 1.496 -0.490
80 HA2 GLY 10 2HA GLY 10 10.910 -0.087 -1.561
81 HA3 GLY 10 1HA GLY 10 11.935 -0.168 -0.132
82 H VAL 11 H VAL 11 8.748 -0.585 0.753
83 HA VAL 11 HA VAL 11 9.076 -3.487 0.927
84 HB VAL 11 HB VAL 11 7.322 -1.616 2.545
85 HG11 VAL 11 1HG1 VAL 11 6.377 -3.849 2.382
86 HG12 VAL 11 2HG1 VAL 11 6.937 -3.514 4.015
87 HG13 VAL 11 3HG1 VAL 11 7.895 -4.546 2.951
88 HG21 VAL 11 3HG2 VAL 11 9.898 -2.970 3.330
89 HG22 VAL 11 1HG2 VAL 11 8.851 -2.051 4.409
90 HG23 VAL 11 2HG2 VAL 11 9.662 -1.242 3.068
91 H ABA 12 H ABA 12 7.860 -4.536 -0.492
92 HA ABA 12 HA ABA 12 5.517 -3.372 -1.698
93 HB3 ABA 12 1HB ABA 12 6.523 -6.235 -1.756
94 HB2 ABA 12 2HB ABA 12 7.040 -4.987 -2.885
95 HG1 ABA 12 3HG ABA 12 4.247 -6.021 -2.586
96 HG3 ABA 12 1HG ABA 12 5.373 -6.424 -3.879
97 HG2 ABA 12 2HG ABA 12 4.778 -4.772 -3.715
98 H ARG 13 H ARG 13 3.884 -3.064 -0.303
99 HA ARG 13 HA ARG 13 3.208 -5.236 1.575
100 HB2 ARG 13 2HB ARG 13 4.335 -2.955 2.375
101 HB3 ARG 13 1HB ARG 13 2.709 -2.346 2.207
102 HG2 ARG 13 2HG ARG 13 3.516 -4.644 3.988
103 HG3 ARG 13 1HG ARG 13 3.312 -2.982 4.520
104 HD2 ARG 13 2HD ARG 13 0.937 -3.102 3.853
105 HD3 ARG 13 1HD ARG 13 1.170 -4.789 3.401
106 HE ARG 13 HE ARG 13 2.056 -4.600 5.986
107 HH11 ARG 13 1HH1 ARG 13 -1.060 -4.208 4.337
108 HH12 ARG 13 2HH1 ARG 13 -1.974 -4.385 5.754
109 HH21 ARG 13 1HH2 ARG 13 0.793 -4.919 7.875
110 HH22 ARG 13 2HH2 ARG 13 -0.913 -4.826 7.832
111 H ABA 14 H ABA 14 1.080 -5.795 1.550
112 HA ABA 14 HA ABA 14 -0.660 -4.502 -0.385
113 HB3 ABA 14 1HB ABA 14 -1.009 -7.020 1.266
114 HB2 ABA 14 2HB ABA 14 -0.405 -6.967 -0.384
115 HG1 ABA 14 3HG ABA 14 -3.147 -6.183 0.522
116 HG3 ABA 14 1HG ABA 14 -2.716 -7.661 -0.340
117 HG2 ABA 14 2HG ABA 14 -2.556 -6.093 -1.141
118 H VAL 15 H VAL 15 -1.943 -2.924 0.268
119 HA VAL 15 HA VAL 15 -2.935 -3.001 3.036
120 HB VAL 15 HB VAL 15 -2.884 -0.519 3.104
121 HG11 VAL 15 1HG1 VAL 15 -0.214 -1.789 2.560
122 HG12 VAL 15 2HG1 VAL 15 -1.068 -1.772 4.104
123 HG13 VAL 15 3HG1 VAL 15 -0.468 -0.265 3.411
124 HG21 VAL 15 3HG2 VAL 15 -1.540 0.735 1.460
125 HG22 VAL 15 1HG2 VAL 15 -2.941 -0.036 0.709
126 HG23 VAL 15 2HG2 VAL 15 -1.339 -0.740 0.515
127 H CYS 16 H CYS 16 -5.051 -2.738 3.341
128 HA CYS 16 HA CYS 16 -6.756 -2.324 1.020
129 HB2 CYS 16 2HB CYS 16 -7.272 -3.295 3.821
130 HB3 CYS 16 1HB CYS 16 -8.587 -2.649 2.861
131 H ARG 17 H ARG 17 -6.970 -0.387 0.440
132 HA ARG 17 HA ARG 17 -7.716 1.565 2.470
133 HB2 ARG 17 2HB ARG 17 -6.800 3.318 0.951
134 HB3 ARG 17 1HB ARG 17 -5.578 2.215 1.543
135 HG2 ARG 17 2HG ARG 17 -5.653 1.028 -0.630
136 HG3 ARG 17 1HG ARG 17 -6.805 2.239 -1.205
137 HD2 ARG 17 2HD ARG 17 -5.174 4.004 -0.801
138 HD3 ARG 17 1HD ARG 17 -4.039 2.813 -0.179
139 HE ARG 17 HE ARG 17 -4.993 2.461 -2.894
140 HH11 ARG 17 1HH1 ARG 17 -2.381 3.539 -0.746
141 HH12 ARG 17 2HH1 ARG 17 -1.200 3.564 -1.982
142 HH21 ARG 17 1HH2 ARG 17 -3.329 2.472 -4.577
143 HH22 ARG 17 2HH2 ARG 17 -1.742 2.940 -4.163
144 H ARG 18 H ARG 18 -9.669 2.304 2.300
145 HA ARG 18 HA ARG 18 -11.797 2.614 1.638
146 HB2 ARG 18 2HB ARG 18 -10.667 3.889 -0.274
147 HB3 ARG 18 1HB ARG 18 -10.818 2.424 -1.233
148 HG2 ARG 18 2HG ARG 18 -13.282 2.543 -0.886
149 HG3 ARG 18 1HG ARG 18 -13.034 4.107 -0.109
150 HD2 ARG 18 2HD ARG 18 -11.953 4.909 -2.186
151 HD3 ARG 18 1HD ARG 18 -12.322 3.356 -2.926
152 HE ARG 18 HE ARG 18 -14.570 4.759 -1.807
153 HH11 ARG 18 1HH1 ARG 18 -12.705 4.047 -4.734
154 HH12 ARG 18 2HH1 ARG 18 -13.921 4.607 -5.791
155 HH21 ARG 18 1HH2 ARG 18 -16.224 5.499 -3.274
156 HH22 ARG 18 2HH2 ARG 18 -15.936 5.416 -4.962