NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
620322 |
5t6v   |
30168 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 1H SER 1 0.180 -7.426 -7.060
2 H2 SER 1 2H SER 1 0.097 -5.757 -7.078
3 H3 SER 1 3H SER 1 -0.535 -6.621 -5.799
4 HA SER 1 HA SER 1 1.686 -7.433 -5.303
5 HB2 SER 1 1HB SER 1 3.483 -5.884 -6.343
6 HB3 SER 1 2HB SER 1 2.912 -7.274 -7.294
7 HG SER 1 HG SER 1 2.949 -5.237 -8.448
8 H THR 2 H THR 2 0.812 -4.049 -6.221
9 HA THR 2 HA THR 2 1.919 -2.967 -3.834
10 HB THR 2 HB THR 2 -0.306 -1.862 -5.609
11 HG1 THR 2 HG1 THR 2 1.314 -1.472 -6.984
12 HG21 THR 2 1HG2 THR 2 -0.037 -0.771 -3.418
13 HG22 THR 2 2HG2 THR 2 0.408 0.288 -4.781
14 HG23 THR 2 3HG2 THR 2 1.678 -0.466 -3.788
15 H CYS 3 H CYS 3 1.069 -2.629 -1.821
16 HA CYS 3 HA CYS 3 -1.096 -4.392 -1.137
17 HB2 CYS 3 1HB CYS 3 -0.044 -2.377 0.764
18 HB3 CYS 3 2HB CYS 3 -0.429 -4.069 1.066
19 H CYS 4 H CYS 4 -0.835 -0.813 -1.180
20 HA CYS 4 HA CYS 4 -3.786 -0.719 -0.789
21 HB2 CYS 4 1HB CYS 4 -2.001 -0.000 1.168
22 HB3 CYS 4 2HB CYS 4 -2.193 1.549 0.366
23 H GLY 5 H GLY 5 -4.869 1.109 -1.669
24 HA2 GLY 5 1HA GLY 5 -3.878 1.949 -4.259
25 HA3 GLY 5 2HA GLY 5 -5.332 2.499 -3.433
26 H TYR 6 H TYR 6 -2.226 2.949 -1.966
27 HA TYR 6 HA TYR 6 -2.004 5.761 -2.913
28 HB2 TYR 6 1HB TYR 6 -3.376 5.359 -0.627
29 HB3 TYR 6 2HB TYR 6 -1.748 5.215 0.011
30 HD1 TYR 6 HD1 TYR 6 -4.132 7.408 -1.817
31 HD2 TYR 6 HD2 TYR 6 -0.414 7.209 0.324
32 HE1 TYR 6 HE1 TYR 6 -3.997 9.897 -1.784
33 HE2 TYR 6 HE2 TYR 6 -0.325 9.701 0.418
34 HH TYR 6 HH TYR 6 -2.822 11.782 -1.018
35 H ARG 7 H ARG 7 -0.843 2.974 -2.922
36 HA ARG 7 HA ARG 7 1.122 1.953 -3.030
37 HB2 ARG 7 1HB ARG 7 2.299 4.740 -2.992
38 HB3 ARG 7 2HB ARG 7 3.180 3.276 -3.434
39 HG2 ARG 7 1HG ARG 7 1.300 2.959 -5.232
40 HG3 ARG 7 2HG ARG 7 0.907 4.633 -4.860
41 HD2 ARG 7 1HD ARG 7 2.358 4.831 -6.710
42 HD3 ARG 7 2HD ARG 7 3.436 5.141 -5.336
43 HE ARG 7 HE ARG 7 3.387 2.314 -6.044
44 HH11 ARG 7 1HH1 ARG 7 5.156 1.441 -7.200
45 HH12 ARG 7 2HH1 ARG 7 6.313 2.503 -7.973
46 HH21 ARG 7 1HH2 ARG 7 4.713 5.405 -7.078
47 HH22 ARG 7 2HH2 ARG 7 6.039 4.682 -7.917
48 H MET 8 H MET 8 0.266 3.462 -0.244
49 HA MET 8 HA MET 8 2.652 2.975 1.348
50 HB2 MET 8 1HB MET 8 -0.305 3.138 2.113
51 HB3 MET 8 2HB MET 8 1.064 3.121 3.254
52 HG2 MET 8 1HG MET 8 1.939 5.188 2.160
53 HG3 MET 8 2HG MET 8 0.450 5.285 1.186
54 HE1 MET 8 1HE MET 8 -2.002 4.617 2.931
55 HE2 MET 8 2HE MET 8 -1.868 6.179 2.086
56 HE3 MET 8 3HE MET 8 -2.305 6.148 3.802
57 H CYS 9 H CYS 9 3.060 1.041 2.602
58 HA CYS 9 HA CYS 9 1.316 -1.252 1.876
59 HB2 CYS 9 1HB CYS 9 4.161 -0.804 1.222
60 HB3 CYS 9 2HB CYS 9 3.808 -2.363 1.958
61 H VAL 10 H VAL 10 0.499 -2.116 3.598
62 HA VAL 10 HA VAL 10 0.273 -3.060 5.651
63 HB VAL 10 HB VAL 10 3.219 -3.632 5.572
64 HG11 VAL 10 1HG1 VAL 10 2.111 -4.145 7.706
65 HG12 VAL 10 2HG1 VAL 10 2.444 -5.685 6.822
66 HG13 VAL 10 3HG1 VAL 10 0.794 -4.963 6.828
67 HG21 VAL 10 1HG2 VAL 10 2.334 -4.339 3.409
68 HG22 VAL 10 2HG2 VAL 10 0.886 -4.984 4.174
69 HG23 VAL 10 3HG2 VAL 10 2.421 -5.779 4.443
70 HA PRO 11 HA PRO 11 -1.314 -2.285 7.211
71 HB2 PRO 11 1HB PRO 11 -1.790 0.620 7.861
72 HB3 PRO 11 2HB PRO 11 -2.444 -0.870 8.611
73 HG2 PRO 11 1HG PRO 11 -0.657 0.566 9.845
74 HG3 PRO 11 2HG PRO 11 -0.538 -1.220 9.914
75 HD2 PRO 11 1HD PRO 11 0.964 0.761 8.117
76 HD3 PRO 11 2HD PRO 11 1.572 -0.644 9.075
77 H CYS 12 H CYS 12 -3.307 -1.500 6.341
78 HA CYS 12 HA CYS 12 -3.141 0.526 4.218
79 HB2 CYS 12 1HB CYS 12 -2.582 -1.484 2.964
80 HB3 CYS 12 2HB CYS 12 -3.905 -2.413 3.724
81 HN1 NH2 13 1H NH2 13 -6.632 1.039 4.884
82 HN2 NH2 13 2H NH2 13 -5.264 1.515 3.911
Start of MODEL 2
1 H1 SER 1 1H SER 1 5.025 -4.465 -5.218
2 H2 SER 1 2H SER 1 5.099 -5.962 -4.580
3 H3 SER 1 3H SER 1 5.097 -4.649 -3.544
4 HA SER 1 HA SER 1 2.867 -5.476 -5.323
5 HB2 SER 1 1HB SER 1 3.126 -6.959 -3.395
6 HB3 SER 1 2HB SER 1 3.237 -5.599 -2.282
7 HG SER 1 HG SER 1 1.093 -6.847 -2.858
8 H THR 2 H THR 2 1.127 -3.909 -5.368
9 HA THR 2 HA THR 2 1.775 -1.186 -4.640
10 HB THR 2 HB THR 2 -0.946 -2.415 -5.363
11 HG1 THR 2 HG1 THR 2 -0.341 -2.199 -7.452
12 HG21 THR 2 1HG2 THR 2 -1.338 -0.175 -6.433
13 HG22 THR 2 2HG2 THR 2 0.179 0.403 -5.692
14 HG23 THR 2 3HG2 THR 2 -1.176 -0.107 -4.659
15 H CYS 3 H CYS 3 -0.125 -3.806 -3.292
16 HA CYS 3 HA CYS 3 -1.006 -4.247 -1.262
17 HB2 CYS 3 1HB CYS 3 0.435 -1.738 -0.351
18 HB3 CYS 3 2HB CYS 3 -0.534 -2.739 0.696
19 H CYS 4 H CYS 4 -1.143 -0.681 -1.146
20 HA CYS 4 HA CYS 4 -4.123 -0.858 -1.240
21 HB2 CYS 4 1HB CYS 4 -2.288 0.284 0.762
22 HB3 CYS 4 2HB CYS 4 -3.576 1.380 0.262
23 H GLY 5 H GLY 5 -5.084 1.327 -1.771
24 HA2 GLY 5 1HA GLY 5 -3.892 2.203 -4.253
25 HA3 GLY 5 2HA GLY 5 -5.387 2.758 -3.559
26 H TYR 6 H TYR 6 -2.287 2.854 -1.931
27 HA TYR 6 HA TYR 6 -1.967 5.804 -2.410
28 HB2 TYR 6 1HB TYR 6 -1.790 4.508 0.374
29 HB3 TYR 6 2HB TYR 6 -1.664 6.207 -0.064
30 HD1 TYR 6 HD1 TYR 6 -3.834 3.535 1.017
31 HD2 TYR 6 HD2 TYR 6 -3.761 7.380 -1.047
32 HE1 TYR 6 HE1 TYR 6 -6.256 3.897 1.433
33 HE2 TYR 6 HE2 TYR 6 -6.182 7.702 -0.608
34 HH TYR 6 HH TYR 6 -8.147 6.674 0.393
35 H ARG 7 H ARG 7 -0.932 2.942 -2.987
36 HA ARG 7 HA ARG 7 0.950 1.745 -3.302
37 HB2 ARG 7 1HB ARG 7 2.253 4.490 -3.063
38 HB3 ARG 7 2HB ARG 7 3.025 3.041 -3.709
39 HG2 ARG 7 1HG ARG 7 1.460 2.958 -5.567
40 HG3 ARG 7 2HG ARG 7 0.573 4.353 -4.958
41 HD2 ARG 7 1HD ARG 7 2.444 5.828 -5.414
42 HD3 ARG 7 2HD ARG 7 3.535 4.479 -5.677
43 HE ARG 7 HE ARG 7 1.365 4.357 -7.518
44 HH11 ARG 7 1HH1 ARG 7 1.636 4.900 -9.641
45 HH12 ARG 7 2HH1 ARG 7 2.949 5.958 -10.122
46 HH21 ARG 7 1HH2 ARG 7 4.241 6.334 -6.996
47 HH22 ARG 7 2HH2 ARG 7 4.399 6.700 -8.666
48 H MET 8 H MET 8 0.228 2.895 -0.341
49 HA MET 8 HA MET 8 2.763 2.293 0.987
50 HB2 MET 8 1HB MET 8 0.926 4.118 1.566
51 HB3 MET 8 2HB MET 8 0.171 2.772 2.405
52 HG2 MET 8 1HG MET 8 1.445 3.967 4.019
53 HG3 MET 8 2HG MET 8 2.256 2.397 3.727
54 HE1 MET 8 1HE MET 8 2.158 6.189 3.114
55 HE2 MET 8 2HE MET 8 2.415 5.806 1.396
56 HE3 MET 8 3HE MET 8 3.713 6.589 2.332
57 H CYS 9 H CYS 9 3.178 0.507 2.162
58 HA CYS 9 HA CYS 9 1.116 -1.611 2.170
59 HB2 CYS 9 1HB CYS 9 4.153 -1.693 2.206
60 HB3 CYS 9 2HB CYS 9 3.153 -3.053 2.664
61 H VAL 10 H VAL 10 1.327 -2.988 4.135
62 HA VAL 10 HA VAL 10 0.343 -2.514 6.300
63 HB VAL 10 HB VAL 10 2.855 -3.254 7.434
64 HG11 VAL 10 1HG1 VAL 10 0.419 -4.929 6.641
65 HG12 VAL 10 2HG1 VAL 10 0.611 -3.977 8.155
66 HG13 VAL 10 3HG1 VAL 10 1.685 -5.373 7.814
67 HG21 VAL 10 1HG2 VAL 10 3.529 -5.105 6.091
68 HG22 VAL 10 2HG2 VAL 10 3.699 -3.594 5.179
69 HG23 VAL 10 3HG2 VAL 10 2.307 -4.740 4.844
70 HA PRO 11 HA PRO 11 -1.132 -1.374 7.861
71 HB2 PRO 11 1HB PRO 11 -1.384 1.596 7.370
72 HB3 PRO 11 2HB PRO 11 -2.239 0.558 8.533
73 HG2 PRO 11 1HG PRO 11 -0.334 2.108 9.366
74 HG3 PRO 11 2HG PRO 11 -0.357 0.409 9.923
75 HD2 PRO 11 1HD PRO 11 1.301 1.668 7.766
76 HD3 PRO 11 2HD PRO 11 1.821 0.539 9.047
77 H CYS 12 H CYS 12 -2.787 -1.702 6.446
78 HA CYS 12 HA CYS 12 -3.125 -0.096 4.080
79 HB2 CYS 12 1HB CYS 12 -1.491 -1.505 3.062
80 HB3 CYS 12 2HB CYS 12 -2.193 -2.955 3.764
81 HN1 NH2 13 1H NH2 13 -5.650 -3.205 5.113
82 HN2 NH2 13 2H NH2 13 -3.922 -3.470 5.020
Start of MODEL 3
1 H1 SER 1 1H SER 1 4.024 -3.128 -8.305
2 H2 SER 1 2H SER 1 2.759 -4.055 -8.854
3 H3 SER 1 3H SER 1 4.255 -4.724 -8.725
4 HA SER 1 HA SER 1 2.744 -5.382 -6.940
5 HB2 SER 1 1HB SER 1 5.294 -3.823 -6.243
6 HB3 SER 1 2HB SER 1 4.509 -5.068 -5.199
7 HG SER 1 HG SER 1 5.998 -6.194 -6.343
8 H THR 2 H THR 2 1.100 -4.667 -5.588
9 HA THR 2 HA THR 2 1.171 -1.920 -4.529
10 HB THR 2 HB THR 2 -0.065 -1.795 -6.744
11 HG1 THR 2 HG1 THR 2 -1.034 -0.312 -5.630
12 HG21 THR 2 1HG2 THR 2 -2.291 -2.858 -6.938
13 HG22 THR 2 2HG2 THR 2 -2.043 -3.720 -5.396
14 HG23 THR 2 3HG2 THR 2 -1.019 -4.085 -6.815
15 H CYS 3 H CYS 3 -0.337 -1.798 -2.686
16 HA CYS 3 HA CYS 3 -1.203 -4.497 -1.759
17 HB2 CYS 3 1HB CYS 3 -0.034 -2.432 0.083
18 HB3 CYS 3 2HB CYS 3 -0.383 -4.103 0.473
19 H CYS 4 H CYS 4 -1.747 -0.995 -1.769
20 HA CYS 4 HA CYS 4 -4.406 -1.448 -0.430
21 HB2 CYS 4 1HB CYS 4 -2.379 -0.609 0.991
22 HB3 CYS 4 2HB CYS 4 -2.768 0.983 0.252
23 H GLY 5 H GLY 5 -2.334 0.877 -2.261
24 HA2 GLY 5 1HA GLY 5 -3.400 1.527 -4.451
25 HA3 GLY 5 2HA GLY 5 -4.878 1.790 -3.528
26 H TYR 6 H TYR 6 -1.682 2.931 -2.478
27 HA TYR 6 HA TYR 6 -2.163 5.594 -3.638
28 HB2 TYR 6 1HB TYR 6 -3.377 5.849 -1.585
29 HB3 TYR 6 2HB TYR 6 -2.144 5.037 -0.618
30 HD1 TYR 6 HD1 TYR 6 -0.965 6.389 0.785
31 HD2 TYR 6 HD2 TYR 6 -2.103 7.954 -3.032
32 HE1 TYR 6 HE1 TYR 6 0.242 8.508 1.255
33 HE2 TYR 6 HE2 TYR 6 -0.961 10.075 -2.554
34 HH TYR 6 HH TYR 6 0.181 11.266 -1.119
35 H ARG 7 H ARG 7 -0.330 3.841 -1.053
36 HA ARG 7 HA ARG 7 1.926 3.148 -2.548
37 HB2 ARG 7 1HB ARG 7 3.692 4.666 -1.721
38 HB3 ARG 7 2HB ARG 7 2.589 5.427 -2.888
39 HG2 ARG 7 1HG ARG 7 1.424 6.597 -1.102
40 HG3 ARG 7 2HG ARG 7 2.569 5.896 0.116
41 HD2 ARG 7 1HD ARG 7 3.397 7.539 -2.270
42 HD3 ARG 7 2HD ARG 7 3.232 8.215 -0.656
43 HE ARG 7 HE ARG 7 4.919 6.377 -0.021
44 HH11 ARG 7 1HH1 ARG 7 7.168 6.192 -0.324
45 HH12 ARG 7 2HH1 ARG 7 7.903 6.840 -1.746
46 HH21 ARG 7 1HH2 ARG 7 5.019 8.021 -3.125
47 HH22 ARG 7 2HH2 ARG 7 6.729 7.842 -3.300
48 H MET 8 H MET 8 0.510 3.980 0.546
49 HA MET 8 HA MET 8 2.546 2.741 2.163
50 HB2 MET 8 1HB MET 8 -0.439 3.189 2.692
51 HB3 MET 8 2HB MET 8 0.789 2.848 3.902
52 HG2 MET 8 1HG MET 8 1.987 4.917 3.204
53 HG3 MET 8 2HG MET 8 0.625 5.287 2.142
54 HE1 MET 8 1HE MET 8 -2.024 4.764 3.512
55 HE2 MET 8 2HE MET 8 -1.554 6.341 2.836
56 HE3 MET 8 3HE MET 8 -2.262 6.276 4.445
57 H CYS 9 H CYS 9 2.918 0.704 2.666
58 HA CYS 9 HA CYS 9 0.803 -1.340 2.100
59 HB2 CYS 9 1HB CYS 9 2.563 -1.332 0.253
60 HB3 CYS 9 2HB CYS 9 3.813 -1.486 1.507
61 H VAL 10 H VAL 10 0.480 -2.573 3.762
62 HA VAL 10 HA VAL 10 0.295 -2.822 6.036
63 HB VAL 10 HB VAL 10 2.038 -4.392 6.939
64 HG11 VAL 10 1HG1 VAL 10 1.317 -6.199 5.442
65 HG12 VAL 10 2HG1 VAL 10 0.804 -5.023 4.202
66 HG13 VAL 10 3HG1 VAL 10 -0.029 -5.098 5.780
67 HG21 VAL 10 1HG2 VAL 10 3.930 -3.483 5.449
68 HG22 VAL 10 2HG2 VAL 10 3.176 -4.344 4.108
69 HG23 VAL 10 3HG2 VAL 10 3.785 -5.263 5.502
70 HA PRO 11 HA PRO 11 -0.793 -1.462 7.665
71 HB2 PRO 11 1HB PRO 11 -0.645 1.535 7.449
72 HB3 PRO 11 2HB PRO 11 -1.452 0.544 8.667
73 HG2 PRO 11 1HG PRO 11 0.834 1.708 9.347
74 HG3 PRO 11 2HG PRO 11 0.523 0.005 9.797
75 HD2 PRO 11 1HD PRO 11 2.062 1.146 7.472
76 HD3 PRO 11 2HD PRO 11 2.555 -0.137 8.653
77 H CYS 12 H CYS 12 -2.755 -1.092 6.680
78 HA CYS 12 HA CYS 12 -2.886 0.453 4.201
79 HB2 CYS 12 1HB CYS 12 -2.431 -1.727 3.292
80 HB3 CYS 12 2HB CYS 12 -3.488 -2.509 4.445
81 HN1 NH2 13 1H NH2 13 -5.863 1.466 5.793
82 HN2 NH2 13 2H NH2 13 -4.416 1.942 5.007
Start of MODEL 4
1 H1 SER 1 1H SER 1 5.856 -2.081 -5.236
2 H2 SER 1 2H SER 1 5.791 -0.945 -4.011
3 H3 SER 1 3H SER 1 4.739 -0.942 -5.286
4 HA SER 1 HA SER 1 3.789 -3.044 -4.621
5 HB2 SER 1 1HB SER 1 5.959 -3.756 -3.437
6 HB3 SER 1 2HB SER 1 5.505 -2.686 -2.105
7 HG SER 1 HG SER 1 4.883 -4.953 -1.914
8 H THR 2 H THR 2 1.984 -1.627 -4.655
9 HA THR 2 HA THR 2 1.545 0.039 -2.191
10 HB THR 2 HB THR 2 1.374 1.434 -4.127
11 HG1 THR 2 HG1 THR 2 -1.139 1.597 -4.224
12 HG21 THR 2 1HG2 THR 2 1.162 -0.210 -6.022
13 HG22 THR 2 2HG2 THR 2 -0.207 0.943 -6.054
14 HG23 THR 2 3HG2 THR 2 -0.471 -0.700 -5.396
15 H CYS 3 H CYS 3 1.227 -2.206 -1.258
16 HA CYS 3 HA CYS 3 -1.015 -3.810 -1.846
17 HB2 CYS 3 1HB CYS 3 -0.066 -3.512 0.971
18 HB3 CYS 3 2HB CYS 3 -0.441 -4.979 0.056
19 H CYS 4 H CYS 4 -0.801 -0.717 -0.065
20 HA CYS 4 HA CYS 4 -3.405 -1.125 1.265
21 HB2 CYS 4 1HB CYS 4 -1.713 0.123 2.487
22 HB3 CYS 4 2HB CYS 4 -1.377 1.171 1.111
23 H GLY 5 H GLY 5 -2.149 -0.015 -1.798
24 HA2 GLY 5 1HA GLY 5 -3.396 0.686 -3.643
25 HA3 GLY 5 2HA GLY 5 -4.817 0.682 -2.609
26 H TYR 6 H TYR 6 -1.709 2.366 -2.003
27 HA TYR 6 HA TYR 6 -3.006 4.941 -2.826
28 HB2 TYR 6 1HB TYR 6 -3.264 4.539 -0.271
29 HB3 TYR 6 2HB TYR 6 -1.505 4.751 -0.132
30 HD1 TYR 6 HD1 TYR 6 -0.449 7.041 -0.662
31 HD2 TYR 6 HD2 TYR 6 -4.718 6.423 -0.742
32 HE1 TYR 6 HE1 TYR 6 -0.865 9.488 -0.674
33 HE2 TYR 6 HE2 TYR 6 -5.101 8.901 -0.657
34 HH TYR 6 HH TYR 6 -4.239 10.863 -0.534
35 H ARG 7 H ARG 7 -0.162 3.757 -1.083
36 HA ARG 7 HA ARG 7 1.468 3.665 -3.493
37 HB2 ARG 7 1HB ARG 7 1.688 6.109 -3.018
38 HB3 ARG 7 2HB ARG 7 2.325 5.737 -1.410
39 HG2 ARG 7 1HG ARG 7 4.325 4.640 -2.489
40 HG3 ARG 7 2HG ARG 7 3.589 4.860 -4.085
41 HD2 ARG 7 1HD ARG 7 5.296 6.559 -3.765
42 HD3 ARG 7 2HD ARG 7 3.694 7.307 -3.850
43 HE ARG 7 HE ARG 7 5.384 6.970 -1.372
44 HH11 ARG 7 1HH1 ARG 7 5.025 8.465 0.229
45 HH12 ARG 7 2HH1 ARG 7 3.809 9.683 0.087
46 HH21 ARG 7 1HH2 ARG 7 2.718 8.634 -3.016
47 HH22 ARG 7 2HH2 ARG 7 2.488 9.757 -1.745
48 H MET 8 H MET 8 1.609 3.792 0.095
49 HA MET 8 HA MET 8 3.894 1.945 0.120
50 HB2 MET 8 1HB MET 8 2.178 3.054 2.401
51 HB3 MET 8 2HB MET 8 3.711 2.146 2.558
52 HG2 MET 8 1HG MET 8 4.831 3.995 1.274
53 HG3 MET 8 2HG MET 8 3.326 4.933 1.370
54 HE1 MET 8 1HE MET 8 1.997 4.801 3.992
55 HE2 MET 8 2HE MET 8 2.643 6.403 3.544
56 HE3 MET 8 3HE MET 8 2.975 5.718 5.156
57 H CYS 9 H CYS 9 3.672 0.050 1.668
58 HA CYS 9 HA CYS 9 1.455 -1.625 0.782
59 HB2 CYS 9 1HB CYS 9 4.007 -2.267 1.113
60 HB3 CYS 9 2HB CYS 9 3.567 -2.394 2.825
61 H VAL 10 H VAL 10 0.674 -3.147 2.668
62 HA VAL 10 HA VAL 10 -0.889 -1.487 4.368
63 HB VAL 10 HB VAL 10 -1.655 -3.732 5.353
64 HG11 VAL 10 1HG1 VAL 10 -2.824 -4.429 3.330
65 HG12 VAL 10 2HG1 VAL 10 -1.689 -3.517 2.321
66 HG13 VAL 10 3HG1 VAL 10 -2.774 -2.656 3.433
67 HG21 VAL 10 1HG2 VAL 10 0.165 -5.015 3.188
68 HG22 VAL 10 2HG2 VAL 10 -0.810 -5.837 4.420
69 HG23 VAL 10 3HG2 VAL 10 0.620 -4.930 4.909
70 HA PRO 11 HA PRO 11 -1.931 -2.137 7.214
71 HB2 PRO 11 1HB PRO 11 -0.767 0.399 8.380
72 HB3 PRO 11 2HB PRO 11 -1.990 -0.686 9.096
73 HG2 PRO 11 1HG PRO 11 0.542 -0.834 9.897
74 HG3 PRO 11 2HG PRO 11 -0.349 -2.346 9.533
75 HD2 PRO 11 1HD PRO 11 1.690 -0.867 7.855
76 HD3 PRO 11 2HD PRO 11 1.502 -2.640 8.099
77 H CYS 12 H CYS 12 -3.758 -0.986 6.848
78 HA CYS 12 HA CYS 12 -3.471 1.454 5.206
79 HB2 CYS 12 1HB CYS 12 -3.616 -0.712 3.819
80 HB3 CYS 12 2HB CYS 12 -5.278 -0.888 4.415
81 HN1 NH2 13 1H NH2 13 -5.863 2.454 7.582
82 HN2 NH2 13 2H NH2 13 -4.167 2.467 7.216
Start of MODEL 5
1 H1 SER 1 1H SER 1 3.659 -6.506 -6.535
2 H2 SER 1 2H SER 1 2.878 -5.931 -7.826
3 H3 SER 1 3H SER 1 3.089 -7.547 -7.622
4 HA SER 1 HA SER 1 0.856 -6.945 -7.138
5 HB2 SER 1 1HB SER 1 2.581 -7.723 -4.775
6 HB3 SER 1 2HB SER 1 0.825 -7.992 -4.829
7 HG SER 1 HG SER 1 1.808 -9.860 -5.537
8 H THR 2 H THR 2 -0.498 -5.313 -6.581
9 HA THR 2 HA THR 2 0.684 -2.999 -5.208
10 HB THR 2 HB THR 2 -2.218 -3.521 -6.030
11 HG1 THR 2 HG1 THR 2 -0.070 -3.387 -7.529
12 HG21 THR 2 1HG2 THR 2 -2.031 -1.630 -4.535
13 HG22 THR 2 2HG2 THR 2 -2.179 -0.973 -6.175
14 HG23 THR 2 3HG2 THR 2 -0.607 -1.027 -5.368
15 H CYS 3 H CYS 3 0.707 -2.811 -3.031
16 HA CYS 3 HA CYS 3 -0.668 -4.605 -1.276
17 HB2 CYS 3 1HB CYS 3 0.578 -1.849 -0.796
18 HB3 CYS 3 2HB CYS 3 0.054 -2.962 0.478
19 H CYS 4 H CYS 4 -1.096 -1.095 -1.907
20 HA CYS 4 HA CYS 4 -3.979 -1.273 -1.391
21 HB2 CYS 4 1HB CYS 4 -2.286 -0.920 0.818
22 HB3 CYS 4 2HB CYS 4 -2.680 0.735 0.317
23 H GLY 5 H GLY 5 -4.916 0.891 -1.782
24 HA2 GLY 5 1HA GLY 5 -3.467 2.391 -3.805
25 HA3 GLY 5 2HA GLY 5 -5.160 2.618 -3.323
26 H TYR 6 H TYR 6 -2.097 2.622 -1.448
27 HA TYR 6 HA TYR 6 -2.532 5.523 -0.760
28 HB2 TYR 6 1HB TYR 6 -1.812 3.196 1.060
29 HB3 TYR 6 2HB TYR 6 -1.744 4.888 1.543
30 HD1 TYR 6 HD1 TYR 6 -4.194 2.200 0.389
31 HD2 TYR 6 HD2 TYR 6 -3.638 5.953 2.457
32 HE1 TYR 6 HE1 TYR 6 -6.538 2.086 1.188
33 HE2 TYR 6 HE2 TYR 6 -5.972 5.854 3.182
34 HH TYR 6 HH TYR 6 -8.188 3.121 2.508
35 H ARG 7 H ARG 7 -0.844 3.457 -2.392
36 HA ARG 7 HA ARG 7 1.191 3.079 -3.148
37 HB2 ARG 7 1HB ARG 7 1.451 5.481 -3.394
38 HB3 ARG 7 2HB ARG 7 2.028 5.617 -1.716
39 HG2 ARG 7 1HG ARG 7 4.101 4.475 -2.257
40 HG3 ARG 7 2HG ARG 7 3.382 3.808 -3.722
41 HD2 ARG 7 1HD ARG 7 4.874 5.553 -4.440
42 HD3 ARG 7 2HD ARG 7 3.180 6.153 -4.603
43 HE ARG 7 HE ARG 7 4.314 6.768 -2.028
44 HH11 ARG 7 1HH1 ARG 7 4.938 8.804 -1.504
45 HH12 ARG 7 2HH1 ARG 7 5.153 10.014 -2.715
46 HH21 ARG 7 1HH2 ARG 7 4.358 7.948 -5.394
47 HH22 ARG 7 2HH2 ARG 7 4.790 9.553 -4.949
48 H MET 8 H MET 8 1.289 3.887 0.275
49 HA MET 8 HA MET 8 3.602 2.177 0.857
50 HB2 MET 8 1HB MET 8 1.451 3.354 2.667
51 HB3 MET 8 2HB MET 8 2.973 2.636 3.187
52 HG2 MET 8 1HG MET 8 4.276 4.366 2.175
53 HG3 MET 8 2HG MET 8 2.879 5.079 1.385
54 HE1 MET 8 1HE MET 8 0.539 5.142 3.646
55 HE2 MET 8 2HE MET 8 0.996 6.546 2.604
56 HE3 MET 8 3HE MET 8 0.915 6.720 4.391
57 H CYS 9 H CYS 9 3.615 0.296 1.973
58 HA CYS 9 HA CYS 9 1.083 -1.339 1.848
59 HB2 CYS 9 1HB CYS 9 4.013 -2.165 2.365
60 HB3 CYS 9 2HB CYS 9 2.647 -3.243 2.125
61 H VAL 10 H VAL 10 0.741 -2.581 3.864
62 HA VAL 10 HA VAL 10 0.096 -2.243 6.040
63 HB VAL 10 HB VAL 10 2.130 -2.937 7.561
64 HG11 VAL 10 1HG1 VAL 10 1.818 -5.265 6.713
65 HG12 VAL 10 2HG1 VAL 10 0.992 -4.600 5.279
66 HG13 VAL 10 3HG1 VAL 10 0.295 -4.376 6.894
67 HG21 VAL 10 1HG2 VAL 10 4.037 -3.852 6.439
68 HG22 VAL 10 2HG2 VAL 10 3.820 -2.255 5.738
69 HG23 VAL 10 3HG2 VAL 10 3.287 -3.682 4.844
70 HA PRO 11 HA PRO 11 -1.455 -1.069 7.546
71 HB2 PRO 11 1HB PRO 11 -1.847 1.845 7.028
72 HB3 PRO 11 2HB PRO 11 -2.640 0.784 8.218
73 HG2 PRO 11 1HG PRO 11 -0.820 2.436 9.004
74 HG3 PRO 11 2HG PRO 11 -0.675 0.721 9.565
75 HD2 PRO 11 1HD PRO 11 0.764 2.047 7.284
76 HD3 PRO 11 2HD PRO 11 1.441 1.045 8.620
77 H CYS 12 H CYS 12 -3.355 -1.133 6.356
78 HA CYS 12 HA CYS 12 -3.591 0.073 3.734
79 HB2 CYS 12 1HB CYS 12 -2.387 -2.056 3.208
80 HB3 CYS 12 2HB CYS 12 -3.622 -2.924 4.120
81 HN1 NH2 13 1H NH2 13 -6.996 0.024 4.598
82 HN2 NH2 13 2H NH2 13 -5.716 0.717 3.614
Start of MODEL 6
1 H1 SER 1 1H SER 1 2.969 -7.941 -6.640
2 H2 SER 1 2H SER 1 3.278 -7.121 -5.233
3 H3 SER 1 3H SER 1 3.289 -6.286 -6.669
4 HA SER 1 HA SER 1 0.960 -6.699 -7.022
5 HB2 SER 1 1HB SER 1 1.124 -8.096 -4.283
6 HB3 SER 1 2HB SER 1 -0.313 -7.814 -5.274
7 HG SER 1 HG SER 1 0.626 -9.921 -5.645
8 H THR 2 H THR 2 -0.261 -4.922 -6.502
9 HA THR 2 HA THR 2 0.706 -2.880 -4.802
10 HB THR 2 HB THR 2 -2.191 -3.308 -5.663
11 HG1 THR 2 HG1 THR 2 -1.603 -2.354 -7.571
12 HG21 THR 2 1HG2 THR 2 -0.475 -0.878 -5.006
13 HG22 THR 2 2HG2 THR 2 -2.005 -1.409 -4.296
14 HG23 THR 2 3HG2 THR 2 -1.978 -0.777 -5.971
15 H CYS 3 H CYS 3 0.246 -2.349 -2.652
16 HA CYS 3 HA CYS 3 -1.351 -4.449 -1.214
17 HB2 CYS 3 1HB CYS 3 -0.067 -2.435 0.461
18 HB3 CYS 3 2HB CYS 3 0.033 -4.184 0.480
19 H CYS 4 H CYS 4 -0.979 -0.900 -0.643
20 HA CYS 4 HA CYS 4 -3.678 -0.956 0.509
21 HB2 CYS 4 1HB CYS 4 -1.767 0.058 1.663
22 HB3 CYS 4 2HB CYS 4 -1.625 1.261 0.405
23 H GLY 5 H GLY 5 -2.093 -0.063 -2.431
24 HA2 GLY 5 1HA GLY 5 -3.001 0.917 -4.329
25 HA3 GLY 5 2HA GLY 5 -4.576 0.821 -3.571
26 H TYR 6 H TYR 6 -1.574 2.557 -2.396
27 HA TYR 6 HA TYR 6 -2.758 5.125 -3.251
28 HB2 TYR 6 1HB TYR 6 -3.679 4.496 -0.930
29 HB3 TYR 6 2HB TYR 6 -2.099 4.830 -0.282
30 HD1 TYR 6 HD1 TYR 6 -4.990 6.224 -2.276
31 HD2 TYR 6 HD2 TYR 6 -1.498 7.238 0.050
32 HE1 TYR 6 HE1 TYR 6 -5.582 8.592 -2.334
33 HE2 TYR 6 HE2 TYR 6 -2.137 9.673 -0.002
34 HH TYR 6 HH TYR 6 -5.092 10.575 -1.868
35 H ARG 7 H ARG 7 -0.462 4.185 -0.712
36 HA ARG 7 HA ARG 7 1.731 4.166 -2.597
37 HB2 ARG 7 1HB ARG 7 1.382 6.638 -2.138
38 HB3 ARG 7 2HB ARG 7 1.701 6.307 -0.408
39 HG2 ARG 7 1HG ARG 7 3.972 5.508 -1.112
40 HG3 ARG 7 2HG ARG 7 3.607 5.900 -2.799
41 HD2 ARG 7 1HD ARG 7 3.261 8.241 -2.119
42 HD3 ARG 7 2HD ARG 7 3.721 7.812 -0.484
43 HE ARG 7 HE ARG 7 5.943 7.627 -1.131
44 HH11 ARG 7 1HH1 ARG 7 7.648 8.023 -2.460
45 HH12 ARG 7 2HH1 ARG 7 7.384 8.418 -4.122
46 HH21 ARG 7 1HH2 ARG 7 4.003 8.238 -3.940
47 HH22 ARG 7 2HH2 ARG 7 5.374 8.537 -4.957
48 H MET 8 H MET 8 1.104 4.452 0.950
49 HA MET 8 HA MET 8 3.473 2.889 1.567
50 HB2 MET 8 1HB MET 8 2.741 2.942 3.829
51 HB3 MET 8 2HB MET 8 2.467 4.537 3.123
52 HG2 MET 8 1HG MET 8 0.067 3.960 2.854
53 HG3 MET 8 2HG MET 8 0.377 2.374 3.530
54 HE1 MET 8 1HE MET 8 0.291 6.257 4.309
55 HE2 MET 8 2HE MET 8 1.883 5.865 5.002
56 HE3 MET 8 3HE MET 8 0.515 6.246 6.075
57 H CYS 9 H CYS 9 3.570 0.719 2.344
58 HA CYS 9 HA CYS 9 1.383 -0.961 1.179
59 HB2 CYS 9 1HB CYS 9 4.016 -1.304 0.742
60 HB3 CYS 9 2HB CYS 9 3.951 -1.938 2.403
61 H VAL 10 H VAL 10 1.150 -3.046 2.743
62 HA VAL 10 HA VAL 10 -0.542 -2.364 4.764
63 HB VAL 10 HB VAL 10 1.225 -4.854 4.920
64 HG11 VAL 10 1HG1 VAL 10 -0.358 -4.495 6.771
65 HG12 VAL 10 2HG1 VAL 10 -0.826 -5.922 5.824
66 HG13 VAL 10 3HG1 VAL 10 -1.701 -4.352 5.629
67 HG21 VAL 10 1HG2 VAL 10 -0.385 -5.970 3.370
68 HG22 VAL 10 2HG2 VAL 10 0.626 -4.718 2.615
69 HG23 VAL 10 3HG2 VAL 10 -1.096 -4.343 3.036
70 HA PRO 11 HA PRO 11 -1.491 -2.280 7.270
71 HB2 PRO 11 1HB PRO 11 -0.648 0.392 8.338
72 HB3 PRO 11 2HB PRO 11 -1.821 -0.791 9.002
73 HG2 PRO 11 1HG PRO 11 0.590 -0.686 10.090
74 HG3 PRO 11 2HG PRO 11 -0.101 -2.264 9.671
75 HD2 PRO 11 1HD PRO 11 1.914 -0.593 8.133
76 HD3 PRO 11 2HD PRO 11 1.921 -2.359 8.526
77 H CYS 12 H CYS 12 -3.338 -1.089 6.758
78 HA CYS 12 HA CYS 12 -2.904 1.117 4.882
79 HB2 CYS 12 1HB CYS 12 -3.020 -0.973 3.534
80 HB3 CYS 12 2HB CYS 12 -4.579 -1.354 4.285
81 HN1 NH2 13 1H NH2 13 -5.607 2.711 6.360
82 HN2 NH2 13 2H NH2 13 -4.076 2.809 5.545
Start of MODEL 7
1 H1 SER 1 1H SER 1 2.846 -2.039 -7.741
2 H2 SER 1 2H SER 1 2.007 -1.701 -9.126
3 H3 SER 1 3H SER 1 1.633 -3.060 -8.245
4 HA SER 1 HA SER 1 1.108 -0.242 -7.582
5 HB2 SER 1 1HB SER 1 -0.612 -2.752 -7.343
6 HB3 SER 1 2HB SER 1 -1.173 -1.061 -7.285
7 HG SER 1 HG SER 1 -1.541 -1.840 -9.298
8 H THR 2 H THR 2 0.701 0.380 -5.463
9 HA THR 2 HA THR 2 2.150 -1.069 -3.420
10 HB THR 2 HB THR 2 1.310 0.704 -1.947
11 HG1 THR 2 HG1 THR 2 -0.475 1.054 -4.121
12 HG21 THR 2 1HG2 THR 2 2.134 2.633 -3.199
13 HG22 THR 2 2HG2 THR 2 1.809 1.863 -4.743
14 HG23 THR 2 3HG2 THR 2 3.102 1.238 -3.686
15 H CYS 3 H CYS 3 1.288 -2.226 -1.556
16 HA CYS 3 HA CYS 3 -0.937 -3.904 -2.009
17 HB2 CYS 3 1HB CYS 3 -0.094 -3.153 0.792
18 HB3 CYS 3 2HB CYS 3 -0.633 -4.738 0.185
19 H CYS 4 H CYS 4 -0.719 -0.853 -0.154
20 HA CYS 4 HA CYS 4 -3.472 -0.898 0.746
21 HB2 CYS 4 1HB CYS 4 -1.517 0.316 1.787
22 HB3 CYS 4 2HB CYS 4 -1.495 1.432 0.405
23 H GLY 5 H GLY 5 -2.161 -0.200 -2.313
24 HA2 GLY 5 1HA GLY 5 -3.185 0.535 -4.267
25 HA3 GLY 5 2HA GLY 5 -4.740 0.430 -3.415
26 H TYR 6 H TYR 6 -1.950 2.368 -2.387
27 HA TYR 6 HA TYR 6 -3.193 4.902 -3.320
28 HB2 TYR 6 1HB TYR 6 -4.435 4.618 -1.269
29 HB3 TYR 6 2HB TYR 6 -3.067 3.952 -0.410
30 HD1 TYR 6 HD1 TYR 6 -4.137 7.214 -2.032
31 HD2 TYR 6 HD2 TYR 6 -1.908 5.312 1.114
32 HE1 TYR 6 HE1 TYR 6 -3.540 9.420 -1.157
33 HE2 TYR 6 HE2 TYR 6 -1.242 7.552 1.975
34 HH TYR 6 HH TYR 6 -2.403 10.580 0.405
35 H ARG 7 H ARG 7 -1.153 3.855 -0.592
36 HA ARG 7 HA ARG 7 1.316 4.202 -2.081
37 HB2 ARG 7 1HB ARG 7 0.571 6.090 0.243
38 HB3 ARG 7 2HB ARG 7 2.226 5.772 -0.270
39 HG2 ARG 7 1HG ARG 7 1.511 6.703 -2.548
40 HG3 ARG 7 2HG ARG 7 -0.014 7.189 -1.771
41 HD2 ARG 7 1HD ARG 7 1.361 9.096 -1.688
42 HD3 ARG 7 2HD ARG 7 1.401 8.457 -0.051
43 HE ARG 7 HE ARG 7 3.529 7.315 -1.636
44 HH11 ARG 7 1HH1 ARG 7 5.690 7.988 -1.279
45 HH12 ARG 7 2HH1 ARG 7 6.040 9.461 -0.421
46 HH21 ARG 7 1HH2 ARG 7 2.729 10.299 0.087
47 HH22 ARG 7 2HH2 ARG 7 4.376 10.689 0.345
48 H MET 8 H MET 8 3.040 3.171 -0.899
49 HA MET 8 HA MET 8 3.971 1.686 0.457
50 HB2 MET 8 1HB MET 8 2.080 2.604 2.617
51 HB3 MET 8 2HB MET 8 3.672 1.874 2.863
52 HG2 MET 8 1HG MET 8 3.083 4.666 1.754
53 HG3 MET 8 2HG MET 8 3.927 4.273 3.270
54 HE1 MET 8 1HE MET 8 5.713 6.170 2.201
55 HE2 MET 8 2HE MET 8 4.943 6.204 0.586
56 HE3 MET 8 3HE MET 8 6.679 5.851 0.734
57 H CYS 9 H CYS 9 3.637 -0.104 2.186
58 HA CYS 9 HA CYS 9 1.329 -1.744 1.268
59 HB2 CYS 9 1HB CYS 9 3.814 -2.557 1.039
60 HB3 CYS 9 2HB CYS 9 3.764 -2.781 2.796
61 H VAL 10 H VAL 10 0.889 -3.453 3.249
62 HA VAL 10 HA VAL 10 -0.787 -1.958 4.952
63 HB VAL 10 HB VAL 10 0.354 -4.724 5.602
64 HG11 VAL 10 1HG1 VAL 10 -1.135 -3.843 7.378
65 HG12 VAL 10 2HG1 VAL 10 -1.935 -5.150 6.477
66 HG13 VAL 10 3HG1 VAL 10 -2.369 -3.461 6.141
67 HG21 VAL 10 1HG2 VAL 10 -0.290 -4.813 3.256
68 HG22 VAL 10 2HG2 VAL 10 -1.837 -3.942 3.617
69 HG23 VAL 10 3HG2 VAL 10 -1.560 -5.604 4.213
70 HA PRO 11 HA PRO 11 -1.664 -1.556 7.649
71 HB2 PRO 11 1HB PRO 11 -0.522 1.214 8.098
72 HB3 PRO 11 2HB PRO 11 -1.713 0.297 9.103
73 HG2 PRO 11 1HG PRO 11 0.763 0.461 9.899
74 HG3 PRO 11 2HG PRO 11 -0.037 -1.158 9.921
75 HD2 PRO 11 1HD PRO 11 1.893 -0.003 7.871
76 HD3 PRO 11 2HD PRO 11 1.962 -1.607 8.652
77 H CYS 12 H CYS 12 -3.441 -0.280 6.965
78 HA CYS 12 HA CYS 12 -2.989 1.608 4.767
79 HB2 CYS 12 1HB CYS 12 -3.199 -0.692 3.716
80 HB3 CYS 12 2HB CYS 12 -4.789 -0.830 4.457
81 HN1 NH2 13 1H NH2 13 -6.102 3.082 5.842
82 HN2 NH2 13 2H NH2 13 -4.671 3.221 4.887
Start of MODEL 8
1 H1 SER 1 1H SER 1 5.411 -2.108 -1.156
2 H2 SER 1 2H SER 1 5.877 -0.858 -2.164
3 H3 SER 1 3H SER 1 6.602 -2.319 -2.309
4 HA SER 1 HA SER 1 5.036 -1.934 -4.084
5 HB2 SER 1 1HB SER 1 4.444 -4.076 -2.060
6 HB3 SER 1 2HB SER 1 3.739 -4.081 -3.674
7 HG SER 1 HG SER 1 5.623 -5.281 -3.807
8 H THR 2 H THR 2 2.736 -1.602 -4.660
9 HA THR 2 HA THR 2 1.447 0.122 -2.659
10 HB THR 2 HB THR 2 0.606 -0.525 -5.493
11 HG1 THR 2 HG1 THR 2 2.013 0.910 -6.137
12 HG21 THR 2 1HG2 THR 2 -1.211 0.662 -4.560
13 HG22 THR 2 2HG2 THR 2 -0.220 2.010 -5.092
14 HG23 THR 2 3HG2 THR 2 -0.225 1.506 -3.407
15 H CYS 3 H CYS 3 1.046 -1.737 -1.266
16 HA CYS 3 HA CYS 3 -1.033 -3.627 -2.069
17 HB2 CYS 3 1HB CYS 3 -0.141 -3.156 0.795
18 HB3 CYS 3 2HB CYS 3 -0.617 -4.659 0.017
19 H CYS 4 H CYS 4 -0.862 -0.641 -0.145
20 HA CYS 4 HA CYS 4 -3.522 -0.963 0.961
21 HB2 CYS 4 1HB CYS 4 -1.736 0.203 2.176
22 HB3 CYS 4 2HB CYS 4 -1.627 1.384 0.883
23 H GLY 5 H GLY 5 -2.450 -0.157 -2.084
24 HA2 GLY 5 1HA GLY 5 -3.508 0.675 -3.898
25 HA3 GLY 5 2HA GLY 5 -4.967 0.886 -2.914
26 H TYR 6 H TYR 6 -1.831 2.357 -2.256
27 HA TYR 6 HA TYR 6 -2.801 4.937 -3.329
28 HB2 TYR 6 1HB TYR 6 -3.392 5.035 -0.936
29 HB3 TYR 6 2HB TYR 6 -1.835 4.387 -0.504
30 HD1 TYR 6 HD1 TYR 6 -0.295 5.999 0.297
31 HD2 TYR 6 HD2 TYR 6 -3.227 7.238 -2.567
32 HE1 TYR 6 HE1 TYR 6 0.614 8.294 0.439
33 HE2 TYR 6 HE2 TYR 6 -2.340 9.628 -2.413
34 HH TYR 6 HH TYR 6 0.285 10.500 -0.207
35 H ARG 7 H ARG 7 -0.118 4.032 -1.239
36 HA ARG 7 HA ARG 7 1.563 3.288 -3.467
37 HB2 ARG 7 1HB ARG 7 3.210 4.906 -3.413
38 HB3 ARG 7 2HB ARG 7 1.729 5.851 -3.229
39 HG2 ARG 7 1HG ARG 7 2.175 5.881 -0.756
40 HG3 ARG 7 2HG ARG 7 3.759 5.115 -1.076
41 HD2 ARG 7 1HD ARG 7 4.164 6.999 -2.740
42 HD3 ARG 7 2HD ARG 7 2.751 7.810 -1.992
43 HE ARG 7 HE ARG 7 4.543 6.955 0.047
44 HH11 ARG 7 1HH1 ARG 7 5.822 8.396 1.110
45 HH12 ARG 7 2HH1 ARG 7 6.245 9.918 0.382
46 HH21 ARG 7 1HH2 ARG 7 4.405 9.379 -2.519
47 HH22 ARG 7 2HH2 ARG 7 5.454 10.419 -1.664
48 H MET 8 H MET 8 1.113 3.739 -0.032
49 HA MET 8 HA MET 8 3.392 2.233 0.834
50 HB2 MET 8 1HB MET 8 0.760 2.932 2.228
51 HB3 MET 8 2HB MET 8 2.229 2.316 3.022
52 HG2 MET 8 1HG MET 8 3.514 4.342 2.337
53 HG3 MET 8 2HG MET 8 2.071 5.029 1.548
54 HE1 MET 8 1HE MET 8 0.020 6.047 2.845
55 HE2 MET 8 2HE MET 8 -0.265 5.763 4.587
56 HE3 MET 8 3HE MET 8 -0.295 4.412 3.456
57 H CYS 9 H CYS 9 3.217 0.242 2.120
58 HA CYS 9 HA CYS 9 1.183 -1.673 1.025
59 HB2 CYS 9 1HB CYS 9 3.826 -2.132 0.958
60 HB3 CYS 9 2HB CYS 9 3.593 -2.367 2.705
61 H VAL 10 H VAL 10 0.836 -3.418 2.962
62 HA VAL 10 HA VAL 10 -0.791 -2.146 4.892
63 HB VAL 10 HB VAL 10 -0.945 -4.588 4.273
64 HG11 VAL 10 1HG1 VAL 10 1.527 -5.058 6.031
65 HG12 VAL 10 2HG1 VAL 10 1.556 -5.024 4.240
66 HG13 VAL 10 3HG1 VAL 10 0.621 -6.265 5.085
67 HG21 VAL 10 1HG2 VAL 10 -1.970 -3.799 6.375
68 HG22 VAL 10 2HG2 VAL 10 -0.498 -4.292 7.265
69 HG23 VAL 10 3HG2 VAL 10 -1.509 -5.494 6.412
70 HA PRO 11 HA PRO 11 -1.434 -1.965 7.648
71 HB2 PRO 11 1HB PRO 11 -0.367 0.797 8.238
72 HB3 PRO 11 2HB PRO 11 -1.427 -0.232 9.195
73 HG2 PRO 11 1HG PRO 11 1.079 -0.031 9.905
74 HG3 PRO 11 2HG PRO 11 0.302 -1.644 9.801
75 HD2 PRO 11 1HD PRO 11 2.071 -0.292 7.784
76 HD3 PRO 11 2HD PRO 11 2.149 -2.010 8.380
77 H CYS 12 H CYS 12 -3.319 -0.920 7.123
78 HA CYS 12 HA CYS 12 -3.132 1.242 5.110
79 HB2 CYS 12 1HB CYS 12 -3.286 -0.955 3.858
80 HB3 CYS 12 2HB CYS 12 -4.891 -1.204 4.636
81 HN1 NH2 13 1H NH2 13 -6.028 2.656 6.484
82 HN2 NH2 13 2H NH2 13 -4.623 2.813 5.449
Start of MODEL 9
1 H1 SER 1 1H SER 1 5.166 -5.016 -5.240
2 H2 SER 1 2H SER 1 4.971 -6.432 -6.115
3 H3 SER 1 3H SER 1 4.333 -6.234 -4.559
4 HA SER 1 HA SER 1 3.452 -4.794 -7.011
5 HB2 SER 1 1HB SER 1 1.933 -6.773 -5.323
6 HB3 SER 1 2HB SER 1 1.524 -6.154 -6.931
7 HG SER 1 HG SER 1 2.501 -8.286 -6.934
8 H THR 2 H THR 2 1.527 -3.434 -6.639
9 HA THR 2 HA THR 2 1.591 -1.898 -4.266
10 HB THR 2 HB THR 2 -0.650 -2.335 -6.327
11 HG1 THR 2 HG1 THR 2 0.404 -0.266 -7.130
12 HG21 THR 2 1HG2 THR 2 -1.288 0.001 -5.693
13 HG22 THR 2 2HG2 THR 2 -0.019 -0.027 -4.414
14 HG23 THR 2 3HG2 THR 2 -1.419 -1.146 -4.312
15 H CYS 3 H CYS 3 0.790 -2.490 -2.274
16 HA CYS 3 HA CYS 3 -0.805 -4.981 -2.087
17 HB2 CYS 3 1HB CYS 3 -0.004 -3.104 0.161
18 HB3 CYS 3 2HB CYS 3 -0.271 -4.870 0.234
19 H CYS 4 H CYS 4 -1.070 -1.485 -1.408
20 HA CYS 4 HA CYS 4 -4.065 -1.758 -1.307
21 HB2 CYS 4 1HB CYS 4 -2.146 -0.512 0.693
22 HB3 CYS 4 2HB CYS 4 -3.851 -0.054 0.627
23 H GLY 5 H GLY 5 -5.063 0.187 -2.079
24 HA2 GLY 5 1HA GLY 5 -3.398 1.986 -3.716
25 HA3 GLY 5 2HA GLY 5 -5.177 2.009 -3.576
26 H TYR 6 H TYR 6 -2.094 2.879 -1.985
27 HA TYR 6 HA TYR 6 -3.479 5.223 -0.772
28 HB2 TYR 6 1HB TYR 6 -3.792 3.699 1.035
29 HB3 TYR 6 2HB TYR 6 -2.222 2.917 0.848
30 HD1 TYR 6 HD1 TYR 6 -0.984 3.234 2.750
31 HD2 TYR 6 HD2 TYR 6 -3.267 6.559 1.261
32 HE1 TYR 6 HE1 TYR 6 -0.017 4.691 4.502
33 HE2 TYR 6 HE2 TYR 6 -2.326 7.992 3.126
34 HH TYR 6 HH TYR 6 -1.031 8.064 5.042
35 H ARG 7 H ARG 7 -0.523 3.333 -0.236
36 HA ARG 7 HA ARG 7 1.274 4.322 -2.059
37 HB2 ARG 7 1HB ARG 7 2.618 6.005 -0.682
38 HB3 ARG 7 2HB ARG 7 1.209 6.621 -1.521
39 HG2 ARG 7 1HG ARG 7 -0.042 6.744 0.612
40 HG3 ARG 7 2HG ARG 7 1.256 5.921 1.446
41 HD2 ARG 7 1HD ARG 7 1.431 8.304 1.822
42 HD3 ARG 7 2HD ARG 7 2.830 7.744 0.889
43 HE ARG 7 HE ARG 7 0.796 8.513 -0.955
44 HH11 ARG 7 1HH1 ARG 7 0.848 10.501 -1.992
45 HH12 ARG 7 2HH1 ARG 7 1.786 11.833 -1.301
46 HH21 ARG 7 1HH2 ARG 7 2.972 10.082 1.388
47 HH22 ARG 7 2HH2 ARG 7 2.920 11.592 0.522
48 H MET 8 H MET 8 0.784 3.674 1.328
49 HA MET 8 HA MET 8 3.386 2.288 1.607
50 HB2 MET 8 1HB MET 8 1.060 2.732 3.477
51 HB3 MET 8 2HB MET 8 2.576 1.987 3.972
52 HG2 MET 8 1HG MET 8 2.291 4.836 2.977
53 HG3 MET 8 2HG MET 8 2.427 4.346 4.680
54 HE1 MET 8 1HE MET 8 4.194 6.111 2.285
55 HE2 MET 8 2HE MET 8 4.467 4.727 1.202
56 HE3 MET 8 3HE MET 8 5.821 5.440 2.071
57 H CYS 9 H CYS 9 3.435 0.086 2.528
58 HA CYS 9 HA CYS 9 1.161 -1.603 1.490
59 HB2 CYS 9 1HB CYS 9 3.241 -1.956 0.164
60 HB3 CYS 9 2HB CYS 9 4.132 -2.198 1.689
61 H VAL 10 H VAL 10 0.069 -1.483 3.467
62 HA VAL 10 HA VAL 10 -0.554 -2.241 5.471
63 HB VAL 10 HB VAL 10 1.741 -4.244 5.395
64 HG11 VAL 10 1HG1 VAL 10 -0.905 -4.342 6.890
65 HG12 VAL 10 2HG1 VAL 10 0.636 -3.865 7.588
66 HG13 VAL 10 3HG1 VAL 10 0.454 -5.495 6.972
67 HG21 VAL 10 1HG2 VAL 10 0.482 -4.502 3.392
68 HG22 VAL 10 2HG2 VAL 10 -1.069 -4.306 4.232
69 HG23 VAL 10 3HG2 VAL 10 -0.088 -5.763 4.488
70 HA PRO 11 HA PRO 11 -1.320 -0.341 7.403
71 HB2 PRO 11 1HB PRO 11 0.135 2.249 6.794
72 HB3 PRO 11 2HB PRO 11 -1.201 1.878 7.912
73 HG2 PRO 11 1HG PRO 11 1.195 2.039 8.905
74 HG3 PRO 11 2HG PRO 11 0.172 0.638 9.369
75 HD2 PRO 11 1HD PRO 11 2.355 0.775 7.255
76 HD3 PRO 11 2HD PRO 11 2.094 -0.450 8.520
77 H CYS 12 H CYS 12 -3.053 0.499 6.268
78 HA CYS 12 HA CYS 12 -2.537 1.197 3.457
79 HB2 CYS 12 1HB CYS 12 -4.712 -0.607 4.617
80 HB3 CYS 12 2HB CYS 12 -4.658 -0.049 2.943
81 HN1 NH2 13 1H NH2 13 -5.446 3.442 3.672
82 HN2 NH2 13 2H NH2 13 -4.740 2.347 2.568
Start of MODEL 10
1 H1 SER 1 1H SER 1 6.699 -1.343 -5.189
2 H2 SER 1 2H SER 1 5.972 -1.835 -6.564
3 H3 SER 1 3H SER 1 7.193 -2.741 -5.920
4 HA SER 1 HA SER 1 5.031 -3.699 -5.486
5 HB2 SER 1 1HB SER 1 6.965 -4.084 -3.975
6 HB3 SER 1 2HB SER 1 6.516 -2.611 -3.096
7 HG SER 1 HG SER 1 5.244 -5.114 -3.122
8 H THR 2 H THR 2 2.944 -3.465 -4.746
9 HA THR 2 HA THR 2 2.151 -0.912 -3.437
10 HB THR 2 HB THR 2 0.638 -2.026 -5.850
11 HG1 THR 2 HG1 THR 2 2.112 -1.200 -7.028
12 HG21 THR 2 1HG2 THR 2 -0.269 0.310 -5.908
13 HG22 THR 2 2HG2 THR 2 0.609 0.641 -4.408
14 HG23 THR 2 3HG2 THR 2 -0.694 -0.595 -4.401
15 H CYS 3 H CYS 3 0.787 -1.417 -1.807
16 HA CYS 3 HA CYS 3 -0.836 -3.895 -1.962
17 HB2 CYS 3 1HB CYS 3 0.026 -2.868 0.706
18 HB3 CYS 3 2HB CYS 3 -0.235 -4.515 0.197
19 H CYS 4 H CYS 4 -0.608 -0.651 -0.289
20 HA CYS 4 HA CYS 4 -3.511 -0.863 0.301
21 HB2 CYS 4 1HB CYS 4 -1.788 0.063 1.926
22 HB3 CYS 4 2HB CYS 4 -1.567 1.453 0.823
23 H GLY 5 H GLY 5 -4.732 1.262 -0.240
24 HA2 GLY 5 1HA GLY 5 -4.762 1.306 -3.124
25 HA3 GLY 5 2HA GLY 5 -5.851 2.164 -2.047
26 H TYR 6 H TYR 6 -2.265 2.599 -2.270
27 HA TYR 6 HA TYR 6 -2.639 5.086 -3.808
28 HB2 TYR 6 1HB TYR 6 -3.075 5.814 -1.527
29 HB3 TYR 6 2HB TYR 6 -1.568 5.122 -0.969
30 HD1 TYR 6 HD1 TYR 6 -2.998 7.826 -3.142
31 HD2 TYR 6 HD2 TYR 6 0.575 6.290 -1.381
32 HE1 TYR 6 HE1 TYR 6 -1.842 9.830 -3.835
33 HE2 TYR 6 HE2 TYR 6 1.782 8.411 -2.034
34 HH TYR 6 HH TYR 6 1.540 10.497 -3.155
35 H ARG 7 H ARG 7 -0.206 3.758 -1.507
36 HA ARG 7 HA ARG 7 1.193 2.399 -3.598
37 HB2 ARG 7 1HB ARG 7 1.918 4.691 -4.044
38 HB3 ARG 7 2HB ARG 7 2.531 4.853 -2.420
39 HG2 ARG 7 1HG ARG 7 4.402 4.327 -4.014
40 HG3 ARG 7 2HG ARG 7 4.221 3.001 -2.881
41 HD2 ARG 7 1HD ARG 7 3.024 1.697 -4.554
42 HD3 ARG 7 2HD ARG 7 3.044 3.069 -5.648
43 HE ARG 7 HE ARG 7 5.289 1.316 -4.821
44 HH11 ARG 7 1HH1 ARG 7 7.259 1.492 -5.992
45 HH12 ARG 7 2HH1 ARG 7 7.443 2.784 -7.145
46 HH21 ARG 7 1HH2 ARG 7 4.385 4.218 -6.662
47 HH22 ARG 7 2HH2 ARG 7 5.898 4.273 -7.483
48 H MET 8 H MET 8 1.500 3.730 -0.309
49 HA MET 8 HA MET 8 3.582 2.042 0.553
50 HB2 MET 8 1HB MET 8 2.902 2.633 2.783
51 HB3 MET 8 2HB MET 8 2.710 4.019 1.748
52 HG2 MET 8 1HG MET 8 0.402 2.149 2.523
53 HG3 MET 8 2HG MET 8 0.832 3.562 3.515
54 HE1 MET 8 1HE MET 8 0.106 6.001 2.867
55 HE2 MET 8 2HE MET 8 -0.663 6.515 1.337
56 HE3 MET 8 3HE MET 8 1.079 6.110 1.392
57 H CYS 9 H CYS 9 3.418 0.283 2.154
58 HA CYS 9 HA CYS 9 1.371 -1.672 1.422
59 HB2 CYS 9 1HB CYS 9 3.950 -1.972 1.353
60 HB3 CYS 9 2HB CYS 9 3.782 -2.347 3.064
61 H VAL 10 H VAL 10 1.077 -3.329 3.351
62 HA VAL 10 HA VAL 10 -0.749 -2.169 5.126
63 HB VAL 10 HB VAL 10 0.871 -4.743 5.459
64 HG11 VAL 10 1HG1 VAL 10 -0.243 -4.269 7.551
65 HG12 VAL 10 2HG1 VAL 10 -1.068 -5.615 6.765
66 HG13 VAL 10 3HG1 VAL 10 -1.777 -3.982 6.745
67 HG21 VAL 10 1HG2 VAL 10 -1.071 -5.910 4.404
68 HG22 VAL 10 2HG2 VAL 10 -0.330 -4.732 3.297
69 HG23 VAL 10 3HG2 VAL 10 -1.869 -4.328 4.113
70 HA PRO 11 HA PRO 11 -1.633 -1.993 7.658
71 HB2 PRO 11 1HB PRO 11 -0.938 0.821 8.453
72 HB3 PRO 11 2HB PRO 11 -1.993 -0.370 9.291
73 HG2 PRO 11 1HG PRO 11 0.420 0.120 10.210
74 HG3 PRO 11 2HG PRO 11 -0.122 -1.612 10.029
75 HD2 PRO 11 1HD PRO 11 1.642 -0.015 8.135
76 HD3 PRO 11 2HD PRO 11 1.928 -1.675 8.836
77 H CYS 12 H CYS 12 -3.479 -1.108 6.883
78 HA CYS 12 HA CYS 12 -3.331 1.118 4.960
79 HB2 CYS 12 1HB CYS 12 -3.001 -1.007 3.706
80 HB3 CYS 12 2HB CYS 12 -4.539 -1.578 4.376
81 HN1 NH2 13 1H NH2 13 -6.602 2.070 5.862
82 HN2 NH2 13 2H NH2 13 -5.252 2.367 4.830
Start of MODEL 11
1 H1 SER 1 1H SER 1 5.604 -1.302 -1.402
2 H2 SER 1 2H SER 1 5.502 -0.086 -2.419
3 H3 SER 1 3H SER 1 6.472 -1.300 -2.755
4 HA SER 1 HA SER 1 4.590 -1.547 -4.121
5 HB2 SER 1 1HB SER 1 4.470 -3.377 -1.698
6 HB3 SER 1 2HB SER 1 3.701 -3.758 -3.259
7 HG SER 1 HG SER 1 5.603 -4.379 -3.966
8 H THR 2 H THR 2 2.511 -0.980 -4.519
9 HA THR 2 HA THR 2 1.160 0.453 -2.429
10 HB THR 2 HB THR 2 1.308 1.379 -4.656
11 HG1 THR 2 HG1 THR 2 -1.219 1.375 -4.996
12 HG21 THR 2 1HG2 THR 2 1.389 -0.678 -6.022
13 HG22 THR 2 2HG2 THR 2 0.091 0.435 -6.595
14 HG23 THR 2 3HG2 THR 2 -0.321 -1.039 -5.623
15 H CYS 3 H CYS 3 1.108 -1.819 -1.229
16 HA CYS 3 HA CYS 3 -1.062 -3.587 -1.932
17 HB2 CYS 3 1HB CYS 3 -0.042 -3.278 0.878
18 HB3 CYS 3 2HB CYS 3 -0.566 -4.717 0.033
19 H CYS 4 H CYS 4 -0.803 -0.585 -0.182
20 HA CYS 4 HA CYS 4 -3.457 -0.813 1.037
21 HB2 CYS 4 1HB CYS 4 -1.572 0.461 2.089
22 HB3 CYS 4 2HB CYS 4 -1.615 1.581 0.745
23 H GLY 5 H GLY 5 -2.343 -0.083 -2.153
24 HA2 GLY 5 1HA GLY 5 -3.629 0.624 -3.914
25 HA3 GLY 5 2HA GLY 5 -4.971 0.907 -2.827
26 H TYR 6 H TYR 6 -1.771 2.410 -2.474
27 HA TYR 6 HA TYR 6 -2.705 4.879 -3.743
28 HB2 TYR 6 1HB TYR 6 -3.530 5.162 -1.459
29 HB3 TYR 6 2HB TYR 6 -1.974 4.700 -0.789
30 HD1 TYR 6 HD1 TYR 6 -3.945 7.362 -2.426
31 HD2 TYR 6 HD2 TYR 6 -0.040 6.309 -0.857
32 HE1 TYR 6 HE1 TYR 6 -3.241 9.779 -2.474
33 HE2 TYR 6 HE2 TYR 6 0.585 8.730 -0.855
34 HH TYR 6 HH TYR 6 -1.727 11.259 -1.945
35 H ARG 7 H ARG 7 -0.247 3.907 -1.404
36 HA ARG 7 HA ARG 7 1.637 3.323 -3.516
37 HB2 ARG 7 1HB ARG 7 1.654 5.850 -3.116
38 HB3 ARG 7 2HB ARG 7 2.343 5.521 -1.537
39 HG2 ARG 7 1HG ARG 7 4.238 4.401 -2.528
40 HG3 ARG 7 2HG ARG 7 3.588 4.588 -4.184
41 HD2 ARG 7 1HD ARG 7 3.766 7.068 -4.000
42 HD3 ARG 7 2HD ARG 7 4.476 6.857 -2.363
43 HE ARG 7 HE ARG 7 5.931 5.286 -4.206
44 HH11 ARG 7 1HH1 ARG 7 7.897 5.956 -5.033
45 HH12 ARG 7 2HH1 ARG 7 8.378 7.597 -5.000
46 HH21 ARG 7 1HH2 ARG 7 5.466 8.708 -3.554
47 HH22 ARG 7 2HH2 ARG 7 6.999 9.156 -4.183
48 H MET 8 H MET 8 1.170 3.786 -0.025
49 HA MET 8 HA MET 8 3.387 2.217 0.798
50 HB2 MET 8 1HB MET 8 0.863 2.776 2.418
51 HB3 MET 8 2HB MET 8 2.503 2.460 3.012
52 HG2 MET 8 1HG MET 8 2.377 4.781 3.291
53 HG3 MET 8 2HG MET 8 3.070 4.685 1.656
54 HE1 MET 8 1HE MET 8 0.067 5.591 3.940
55 HE2 MET 8 2HE MET 8 -0.810 4.317 3.072
56 HE3 MET 8 3HE MET 8 -1.249 6.012 2.817
57 H CYS 9 H CYS 9 3.209 0.296 2.126
58 HA CYS 9 HA CYS 9 1.178 -1.613 1.039
59 HB2 CYS 9 1HB CYS 9 3.673 -2.083 0.785
60 HB3 CYS 9 2HB CYS 9 3.734 -2.267 2.555
61 H VAL 10 H VAL 10 0.692 -3.407 2.837
62 HA VAL 10 HA VAL 10 -0.812 -2.257 4.878
63 HB VAL 10 HB VAL 10 0.597 -4.965 4.846
64 HG11 VAL 10 1HG1 VAL 10 -0.219 -4.548 7.077
65 HG12 VAL 10 2HG1 VAL 10 -1.236 -5.744 6.316
66 HG13 VAL 10 3HG1 VAL 10 -1.805 -4.067 6.441
67 HG21 VAL 10 1HG2 VAL 10 -1.808 -5.685 4.036
68 HG22 VAL 10 2HG2 VAL 10 -0.684 -4.949 2.900
69 HG23 VAL 10 3HG2 VAL 10 -1.991 -3.966 3.613
70 HA PRO 11 HA PRO 11 -1.422 -2.148 7.607
71 HB2 PRO 11 1HB PRO 11 -0.458 0.602 8.312
72 HB3 PRO 11 2HB PRO 11 -1.447 -0.509 9.259
73 HG2 PRO 11 1HG PRO 11 1.098 -0.175 9.795
74 HG3 PRO 11 2HG PRO 11 0.383 -1.809 9.790
75 HD2 PRO 11 1HD PRO 11 2.115 -0.490 7.723
76 HD3 PRO 11 2HD PRO 11 2.142 -2.170 8.339
77 H CYS 12 H CYS 12 -3.309 -1.064 7.035
78 HA CYS 12 HA CYS 12 -3.083 1.231 5.228
79 HB2 CYS 12 1HB CYS 12 -3.201 -0.878 3.893
80 HB3 CYS 12 2HB CYS 12 -4.764 -1.211 4.592
81 HN1 NH2 13 1H NH2 13 -5.412 2.365 7.594
82 HN2 NH2 13 2H NH2 13 -3.775 2.476 7.000
Start of MODEL 12
1 H1 SER 1 1H SER 1 5.040 -2.859 -6.707
2 H2 SER 1 2H SER 1 3.776 -2.520 -7.699
3 H3 SER 1 3H SER 1 4.673 -3.898 -7.941
4 HA SER 1 HA SER 1 2.469 -4.284 -6.877
5 HB2 SER 1 1HB SER 1 4.936 -5.044 -5.215
6 HB3 SER 1 2HB SER 1 3.390 -5.948 -5.385
7 HG SER 1 HG SER 1 4.484 -6.889 -6.959
8 H THR 2 H THR 2 1.075 -3.853 -5.113
9 HA THR 2 HA THR 2 2.182 -2.425 -2.801
10 HB THR 2 HB THR 2 1.749 -0.474 -4.317
11 HG1 THR 2 HG1 THR 2 1.385 0.065 -2.296
12 HG21 THR 2 1HG2 THR 2 -0.032 -1.462 -5.761
13 HG22 THR 2 2HG2 THR 2 -0.550 0.083 -5.030
14 HG23 THR 2 3HG2 THR 2 -1.165 -1.446 -4.345
15 H CYS 3 H CYS 3 0.729 -2.305 -1.120
16 HA CYS 3 HA CYS 3 -1.244 -4.425 -0.969
17 HB2 CYS 3 1HB CYS 3 -0.419 -2.312 1.085
18 HB3 CYS 3 2HB CYS 3 -1.361 -3.789 1.366
19 H CYS 4 H CYS 4 -1.172 -0.822 -0.875
20 HA CYS 4 HA CYS 4 -4.119 -0.886 -0.989
21 HB2 CYS 4 1HB CYS 4 -2.453 0.084 1.147
22 HB3 CYS 4 2HB CYS 4 -3.305 1.450 0.408
23 H GLY 5 H GLY 5 -5.066 1.188 -1.669
24 HA2 GLY 5 1HA GLY 5 -3.717 2.098 -4.091
25 HA3 GLY 5 2HA GLY 5 -5.323 2.608 -3.475
26 H TYR 6 H TYR 6 -2.144 2.788 -1.887
27 HA TYR 6 HA TYR 6 -2.036 5.706 -2.379
28 HB2 TYR 6 1HB TYR 6 -3.239 5.112 -0.144
29 HB3 TYR 6 2HB TYR 6 -1.636 4.653 0.448
30 HD1 TYR 6 HD1 TYR 6 -0.109 6.349 1.250
31 HD2 TYR 6 HD2 TYR 6 -3.631 7.500 -0.996
32 HE1 TYR 6 HE1 TYR 6 0.282 8.816 1.817
33 HE2 TYR 6 HE2 TYR 6 -3.134 9.922 -0.537
34 HH TYR 6 HH TYR 6 -0.444 10.946 1.532
35 H ARG 7 H ARG 7 -0.826 2.936 -2.908
36 HA ARG 7 HA ARG 7 1.126 2.093 -3.520
37 HB2 ARG 7 1HB ARG 7 2.290 4.844 -3.009
38 HB3 ARG 7 2HB ARG 7 3.135 3.505 -3.787
39 HG2 ARG 7 1HG ARG 7 1.353 3.420 -5.501
40 HG3 ARG 7 2HG ARG 7 0.620 4.844 -4.746
41 HD2 ARG 7 1HD ARG 7 2.691 6.114 -5.097
42 HD3 ARG 7 2HD ARG 7 3.382 4.718 -5.936
43 HE ARG 7 HE ARG 7 2.042 5.133 -7.791
44 HH11 ARG 7 1HH1 ARG 7 0.742 6.323 -9.108
45 HH12 ARG 7 2HH1 ARG 7 -0.283 7.565 -8.498
46 HH21 ARG 7 1HH2 ARG 7 0.861 7.195 -5.197
47 HH22 ARG 7 2HH2 ARG 7 -0.155 8.093 -6.282
48 H MET 8 H MET 8 1.470 3.856 -0.401
49 HA MET 8 HA MET 8 3.655 2.128 0.474
50 HB2 MET 8 1HB MET 8 1.681 3.855 2.046
51 HB3 MET 8 2HB MET 8 3.063 2.987 2.775
52 HG2 MET 8 1HG MET 8 4.268 4.827 2.459
53 HG3 MET 8 2HG MET 8 4.298 4.389 0.764
54 HE1 MET 8 1HE MET 8 4.702 6.746 -0.174
55 HE2 MET 8 2HE MET 8 3.277 7.650 -0.693
56 HE3 MET 8 3HE MET 8 3.461 5.917 -1.121
57 H CYS 9 H CYS 9 3.649 0.356 1.699
58 HA CYS 9 HA CYS 9 1.127 -1.206 1.778
59 HB2 CYS 9 1HB CYS 9 4.047 -1.736 1.474
60 HB3 CYS 9 2HB CYS 9 3.243 -2.822 2.597
61 H VAL 10 H VAL 10 1.027 -2.666 3.649
62 HA VAL 10 HA VAL 10 0.273 -2.627 5.859
63 HB VAL 10 HB VAL 10 2.203 -3.483 7.278
64 HG11 VAL 10 1HG1 VAL 10 1.641 -4.852 4.590
65 HG12 VAL 10 2HG1 VAL 10 0.548 -4.860 5.993
66 HG13 VAL 10 3HG1 VAL 10 2.158 -5.625 6.099
67 HG21 VAL 10 1HG2 VAL 10 4.292 -3.989 6.283
68 HG22 VAL 10 2HG2 VAL 10 4.021 -2.321 5.792
69 HG23 VAL 10 3HG2 VAL 10 3.751 -3.640 4.627
70 HA PRO 11 HA PRO 11 -1.316 -1.911 7.456
71 HB2 PRO 11 1HB PRO 11 -1.989 0.984 7.558
72 HB3 PRO 11 2HB PRO 11 -2.608 -0.354 8.599
73 HG2 PRO 11 1HG PRO 11 -0.882 1.261 9.587
74 HG3 PRO 11 2HG PRO 11 -0.597 -0.479 9.778
75 HD2 PRO 11 1HD PRO 11 0.629 1.446 7.749
76 HD3 PRO 11 2HD PRO 11 1.415 0.264 8.884
77 H CYS 12 H CYS 12 -3.333 -1.885 6.347
78 HA CYS 12 HA CYS 12 -3.761 -0.100 4.126
79 HB2 CYS 12 1HB CYS 12 -2.514 -1.925 3.030
80 HB3 CYS 12 2HB CYS 12 -3.568 -3.097 3.802
81 HN1 NH2 13 1H NH2 13 -7.211 -0.798 4.834
82 HN2 NH2 13 2H NH2 13 -6.115 -0.037 3.720
Start of MODEL 13
1 H1 SER 1 1H SER 1 -1.357 -3.249 -7.323
2 H2 SER 1 2H SER 1 -0.931 -3.434 -8.893
3 H3 SER 1 3H SER 1 -0.522 -2.054 -8.053
4 HA SER 1 HA SER 1 0.502 -4.784 -7.638
5 HB2 SER 1 1HB SER 1 1.580 -3.555 -9.517
6 HB3 SER 1 2HB SER 1 1.872 -2.181 -8.428
7 HG SER 1 HG SER 1 3.673 -3.564 -8.679
8 H THR 2 H THR 2 0.527 -1.336 -6.433
9 HA THR 2 HA THR 2 2.042 -1.921 -4.060
10 HB THR 2 HB THR 2 1.020 0.274 -3.175
11 HG1 THR 2 HG1 THR 2 -0.946 0.367 -4.177
12 HG21 THR 2 1HG2 THR 2 2.145 1.716 -4.889
13 HG22 THR 2 2HG2 THR 2 2.014 0.444 -6.099
14 HG23 THR 2 3HG2 THR 2 3.087 0.228 -4.726
15 H CYS 3 H CYS 3 1.191 -2.182 -1.910
16 HA CYS 3 HA CYS 3 -0.795 -4.183 -1.840
17 HB2 CYS 3 1HB CYS 3 0.105 -2.510 0.502
18 HB3 CYS 3 2HB CYS 3 -0.524 -4.162 0.563
19 H CYS 4 H CYS 4 -0.806 -0.717 -1.021
20 HA CYS 4 HA CYS 4 -3.795 -0.840 -0.601
21 HB2 CYS 4 1HB CYS 4 -1.841 0.110 1.068
22 HB3 CYS 4 2HB CYS 4 -2.242 1.574 0.121
23 H GLY 5 H GLY 5 -4.925 1.114 -1.376
24 HA2 GLY 5 1HA GLY 5 -4.301 1.523 -4.197
25 HA3 GLY 5 2HA GLY 5 -5.701 2.143 -3.307
26 H TYR 6 H TYR 6 -2.217 2.685 -2.758
27 HA TYR 6 HA TYR 6 -2.314 5.412 -3.785
28 HB2 TYR 6 1HB TYR 6 -3.192 5.903 -1.575
29 HB3 TYR 6 2HB TYR 6 -2.014 4.826 -0.835
30 HD1 TYR 6 HD1 TYR 6 -0.113 5.803 0.226
31 HD2 TYR 6 HD2 TYR 6 -1.994 7.791 -3.107
32 HE1 TYR 6 HE1 TYR 6 1.482 7.699 0.445
33 HE2 TYR 6 HE2 TYR 6 -0.353 9.645 -2.868
34 HH TYR 6 HH TYR 6 1.325 10.527 -1.755
35 H ARG 7 H ARG 7 -0.377 3.892 -1.168
36 HA ARG 7 HA ARG 7 1.507 2.678 -3.009
37 HB2 ARG 7 1HB ARG 7 2.107 5.070 -3.152
38 HB3 ARG 7 2HB ARG 7 2.432 5.094 -1.399
39 HG2 ARG 7 1HG ARG 7 4.190 3.433 -1.739
40 HG3 ARG 7 2HG ARG 7 3.858 3.359 -3.476
41 HD2 ARG 7 1HD ARG 7 4.423 5.779 -3.605
42 HD3 ARG 7 2HD ARG 7 4.845 5.754 -1.886
43 HE ARG 7 HE ARG 7 6.308 3.721 -3.155
44 HH11 ARG 7 1HH1 ARG 7 8.468 3.940 -3.618
45 HH12 ARG 7 2HH1 ARG 7 9.159 5.521 -3.757
46 HH21 ARG 7 1HH2 ARG 7 6.227 7.264 -3.049
47 HH22 ARG 7 2HH2 ARG 7 7.921 7.415 -3.402
48 H MET 8 H MET 8 0.822 3.796 0.242
49 HA MET 8 HA MET 8 2.795 2.456 1.718
50 HB2 MET 8 1HB MET 8 1.283 2.664 3.595
51 HB3 MET 8 2HB MET 8 1.217 4.129 2.600
52 HG2 MET 8 1HG MET 8 -0.876 3.261 1.568
53 HG3 MET 8 2HG MET 8 -0.768 1.867 2.664
54 HE1 MET 8 1HE MET 8 -0.314 5.886 3.073
55 HE2 MET 8 2HE MET 8 -1.740 6.278 4.028
56 HE3 MET 8 3HE MET 8 -1.929 5.768 2.326
57 H CYS 9 H CYS 9 2.757 0.535 3.004
58 HA CYS 9 HA CYS 9 0.827 -1.585 2.285
59 HB2 CYS 9 1HB CYS 9 2.869 -1.710 0.691
60 HB3 CYS 9 2HB CYS 9 3.871 -1.917 2.127
61 H VAL 10 H VAL 10 0.611 -2.919 4.019
62 HA VAL 10 HA VAL 10 0.342 -3.103 6.279
63 HB VAL 10 HB VAL 10 2.362 -4.267 7.287
64 HG11 VAL 10 1HG1 VAL 10 2.083 -6.141 5.657
65 HG12 VAL 10 2HG1 VAL 10 1.095 -5.105 4.686
66 HG13 VAL 10 3HG1 VAL 10 0.595 -5.516 6.321
67 HG21 VAL 10 1HG2 VAL 10 3.489 -3.918 4.476
68 HG22 VAL 10 2HG2 VAL 10 4.177 -4.907 5.758
69 HG23 VAL 10 3HG2 VAL 10 4.138 -3.128 5.925
70 HA PRO 11 HA PRO 11 -1.113 -1.755 7.591
71 HB2 PRO 11 1HB PRO 11 -1.017 1.260 7.836
72 HB3 PRO 11 2HB PRO 11 -2.043 0.098 8.717
73 HG2 PRO 11 1HG PRO 11 -0.002 1.148 9.962
74 HG3 PRO 11 2HG PRO 11 -0.203 -0.594 10.067
75 HD2 PRO 11 1HD PRO 11 1.579 0.977 8.158
76 HD3 PRO 11 2HD PRO 11 2.028 -0.394 9.251
77 H CYS 12 H CYS 12 -2.971 -0.983 6.542
78 HA CYS 12 HA CYS 12 -2.651 0.676 4.131
79 HB2 CYS 12 1HB CYS 12 -2.315 -1.515 3.218
80 HB3 CYS 12 2HB CYS 12 -3.654 -2.207 4.141
81 HN1 NH2 13 1H NH2 13 -5.724 2.034 5.183
82 HN2 NH2 13 2H NH2 13 -4.101 2.287 4.640
Start of MODEL 14
1 H1 SER 1 1H SER 1 4.196 -2.802 -6.367
2 H2 SER 1 2H SER 1 3.955 -3.866 -7.616
3 H3 SER 1 3H SER 1 3.728 -4.375 -6.039
4 HA SER 1 HA SER 1 2.137 -2.371 -7.539
5 HB2 SER 1 1HB SER 1 1.432 -5.083 -6.367
6 HB3 SER 1 2HB SER 1 0.310 -4.037 -7.283
7 HG SER 1 HG SER 1 1.277 -5.506 -8.672
8 H THR 2 H THR 2 3.245 -3.306 -4.338
9 HA THR 2 HA THR 2 2.844 -2.543 -2.306
10 HB THR 2 HB THR 2 1.974 -0.419 -1.734
11 HG1 THR 2 HG1 THR 2 0.462 -0.811 -4.031
12 HG21 THR 2 1HG2 THR 2 2.875 0.255 -4.528
13 HG22 THR 2 2HG2 THR 2 4.034 -0.573 -3.422
14 HG23 THR 2 3HG2 THR 2 3.349 1.014 -2.989
15 H CYS 3 H CYS 3 0.830 -1.801 -0.771
16 HA CYS 3 HA CYS 3 -0.875 -4.257 -1.210
17 HB2 CYS 3 1HB CYS 3 -0.442 -2.481 1.216
18 HB3 CYS 3 2HB CYS 3 -1.422 -3.914 1.165
19 H CYS 4 H CYS 4 -0.969 -0.740 -0.833
20 HA CYS 4 HA CYS 4 -3.962 -0.855 -1.080
21 HB2 CYS 4 1HB CYS 4 -2.280 0.213 1.034
22 HB3 CYS 4 2HB CYS 4 -3.232 1.516 0.332
23 H GLY 5 H GLY 5 -4.980 1.119 -1.829
24 HA2 GLY 5 1HA GLY 5 -3.777 2.252 -4.192
25 HA3 GLY 5 2HA GLY 5 -5.340 2.630 -3.473
26 H TYR 6 H TYR 6 -2.129 2.891 -1.959
27 HA TYR 6 HA TYR 6 -2.270 5.922 -2.081
28 HB2 TYR 6 1HB TYR 6 -1.782 4.136 0.342
29 HB3 TYR 6 2HB TYR 6 -1.462 5.890 0.344
30 HD1 TYR 6 HD1 TYR 6 -3.278 7.527 0.260
31 HD2 TYR 6 HD2 TYR 6 -4.128 3.302 0.420
32 HE1 TYR 6 HE1 TYR 6 -5.653 8.025 0.864
33 HE2 TYR 6 HE2 TYR 6 -6.475 3.815 1.016
34 HH TYR 6 HH TYR 6 -7.941 5.329 1.548
35 H ARG 7 H ARG 7 -0.953 3.273 -3.166
36 HA ARG 7 HA ARG 7 1.081 2.400 -3.682
37 HB2 ARG 7 1HB ARG 7 2.296 5.127 -3.292
38 HB3 ARG 7 2HB ARG 7 2.763 3.865 -4.428
39 HG2 ARG 7 1HG ARG 7 0.481 4.213 -5.518
40 HG3 ARG 7 2HG ARG 7 0.393 5.737 -4.599
41 HD2 ARG 7 1HD ARG 7 1.396 6.382 -6.685
42 HD3 ARG 7 2HD ARG 7 2.773 6.224 -5.568
43 HE ARG 7 HE ARG 7 2.333 3.705 -6.740
44 HH11 ARG 7 1HH1 ARG 7 3.647 2.985 -8.359
45 HH12 ARG 7 2HH1 ARG 7 4.622 4.046 -9.277
46 HH21 ARG 7 1HH2 ARG 7 3.563 6.896 -7.685
47 HH22 ARG 7 2HH2 ARG 7 4.559 6.218 -8.933
48 H MET 8 H MET 8 0.382 2.188 -1.007
49 HA MET 8 HA MET 8 3.070 2.026 0.219
50 HB2 MET 8 1HB MET 8 1.128 3.898 0.967
51 HB3 MET 8 2HB MET 8 0.944 2.558 2.126
52 HG2 MET 8 1HG MET 8 2.463 4.249 2.985
53 HG3 MET 8 2HG MET 8 3.312 2.723 2.740
54 HE1 MET 8 1HE MET 8 3.813 6.517 0.304
55 HE2 MET 8 2HE MET 8 2.805 6.276 1.751
56 HE3 MET 8 3HE MET 8 2.311 5.559 0.186
57 H CYS 9 H CYS 9 3.017 0.509 2.221
58 HA CYS 9 HA CYS 9 1.019 -1.641 1.958
59 HB2 CYS 9 1HB CYS 9 3.913 -1.761 1.586
60 HB3 CYS 9 2HB CYS 9 3.323 -2.935 2.755
61 H VAL 10 H VAL 10 0.964 -3.073 3.884
62 HA VAL 10 HA VAL 10 0.244 -2.701 6.153
63 HB VAL 10 HB VAL 10 2.296 -3.486 7.513
64 HG11 VAL 10 1HG1 VAL 10 0.531 -5.021 6.878
65 HG12 VAL 10 2HG1 VAL 10 2.066 -5.785 6.384
66 HG13 VAL 10 3HG1 VAL 10 1.035 -5.014 5.149
67 HG21 VAL 10 1HG2 VAL 10 4.183 -4.268 6.373
68 HG22 VAL 10 2HG2 VAL 10 3.949 -2.629 5.754
69 HG23 VAL 10 3HG2 VAL 10 3.437 -4.007 4.758
70 HA PRO 11 HA PRO 11 -1.228 -1.672 7.746
71 HB2 PRO 11 1HB PRO 11 -1.754 1.314 7.618
72 HB3 PRO 11 2HB PRO 11 -2.401 0.032 8.701
73 HG2 PRO 11 1HG PRO 11 -0.583 1.642 9.706
74 HG3 PRO 11 2HG PRO 11 -0.449 -0.150 9.917
75 HD2 PRO 11 1HD PRO 11 0.920 1.546 7.769
76 HD3 PRO 11 2HD PRO 11 1.636 0.383 8.951
77 H CYS 12 H CYS 12 -3.240 -1.587 6.519
78 HA CYS 12 HA CYS 12 -3.360 0.099 4.169
79 HB2 CYS 12 1HB CYS 12 -2.099 -1.798 3.242
80 HB3 CYS 12 2HB CYS 12 -3.213 -2.926 4.006
81 HN1 NH2 13 1H NH2 13 -6.792 -0.128 4.802
82 HN2 NH2 13 2H NH2 13 -5.440 0.811 4.237
Start of MODEL 15
1 H1 SER 1 1H SER 1 0.820 -3.863 -7.409
2 H2 SER 1 2H SER 1 0.943 -5.419 -6.856
3 H3 SER 1 3H SER 1 1.561 -4.943 -8.341
4 HA SER 1 HA SER 1 3.218 -5.270 -6.530
5 HB2 SER 1 1HB SER 1 3.007 -2.551 -7.856
6 HB3 SER 1 2HB SER 1 4.429 -3.103 -6.959
7 HG SER 1 HG SER 1 5.003 -4.018 -8.771
8 H THR 2 H THR 2 1.766 -1.902 -6.147
9 HA THR 2 HA THR 2 2.480 -1.658 -3.445
10 HB THR 2 HB THR 2 0.011 -0.375 -4.696
11 HG1 THR 2 HG1 THR 2 2.634 0.495 -5.146
12 HG21 THR 2 1HG2 THR 2 0.672 0.170 -2.373
13 HG22 THR 2 2HG2 THR 2 0.686 1.555 -3.460
14 HG23 THR 2 3HG2 THR 2 2.228 0.811 -3.001
15 H CYS 3 H CYS 3 1.502 -2.457 -1.567
16 HA CYS 3 HA CYS 3 -0.553 -4.411 -1.852
17 HB2 CYS 3 1HB CYS 3 0.246 -3.078 0.741
18 HB3 CYS 3 2HB CYS 3 -0.289 -4.717 0.477
19 H CYS 4 H CYS 4 -0.428 -1.047 -0.607
20 HA CYS 4 HA CYS 4 -3.336 -1.083 -0.027
21 HB2 CYS 4 1HB CYS 4 -1.172 1.022 0.400
22 HB3 CYS 4 2HB CYS 4 -2.844 1.176 0.986
23 H GLY 5 H GLY 5 -4.607 0.727 -0.682
24 HA2 GLY 5 1HA GLY 5 -4.171 1.440 -3.540
25 HA3 GLY 5 2HA GLY 5 -5.688 1.581 -2.604
26 H TYR 6 H TYR 6 -2.470 2.792 -1.617
27 HA TYR 6 HA TYR 6 -3.383 5.547 -2.282
28 HB2 TYR 6 1HB TYR 6 -3.986 5.124 0.130
29 HB3 TYR 6 2HB TYR 6 -2.289 4.702 0.473
30 HD1 TYR 6 HD1 TYR 6 -0.579 6.539 0.560
31 HD2 TYR 6 HD2 TYR 6 -4.679 7.495 -0.346
32 HE1 TYR 6 HE1 TYR 6 -0.120 8.902 1.031
33 HE2 TYR 6 HE2 TYR 6 -4.198 9.896 0.107
34 HH TYR 6 HH TYR 6 -1.029 11.002 1.195
35 H ARG 7 H ARG 7 -0.797 3.954 -0.390
36 HA ARG 7 HA ARG 7 1.028 3.686 -2.574
37 HB2 ARG 7 1HB ARG 7 1.083 6.236 -2.015
38 HB3 ARG 7 2HB ARG 7 1.777 5.765 -0.456
39 HG2 ARG 7 1HG ARG 7 3.620 4.681 -1.681
40 HG3 ARG 7 2HG ARG 7 2.957 5.281 -3.213
41 HD2 ARG 7 1HD ARG 7 3.240 7.645 -2.365
42 HD3 ARG 7 2HD ARG 7 3.936 6.949 -0.867
43 HE ARG 7 HE ARG 7 5.340 5.968 -3.152
44 HH11 ARG 7 1HH1 ARG 7 7.422 6.588 -3.517
45 HH12 ARG 7 2HH1 ARG 7 8.025 8.032 -2.785
46 HH21 ARG 7 1HH2 ARG 7 5.063 8.824 -1.129
47 HH22 ARG 7 2HH2 ARG 7 6.743 9.326 -1.437
48 H MET 8 H MET 8 3.105 2.796 -1.430
49 HA MET 8 HA MET 8 4.156 1.429 0.097
50 HB2 MET 8 1HB MET 8 2.375 2.880 2.118
51 HB3 MET 8 2HB MET 8 3.737 1.839 2.515
52 HG2 MET 8 1HG MET 8 3.957 4.362 0.819
53 HG3 MET 8 2HG MET 8 4.272 4.300 2.569
54 HE1 MET 8 1HE MET 8 6.292 4.732 -0.429
55 HE2 MET 8 2HE MET 8 5.519 3.218 -0.982
56 HE3 MET 8 3HE MET 8 7.259 3.257 -0.664
57 H CYS 9 H CYS 9 3.794 -0.100 2.057
58 HA CYS 9 HA CYS 9 1.603 -1.888 1.298
59 HB2 CYS 9 1HB CYS 9 4.134 -2.561 1.635
60 HB3 CYS 9 2HB CYS 9 3.674 -2.704 3.330
61 H VAL 10 H VAL 10 1.104 -3.295 3.559
62 HA VAL 10 HA VAL 10 -0.750 -1.674 4.871
63 HB VAL 10 HB VAL 10 -1.045 -3.576 6.450
64 HG11 VAL 10 1HG1 VAL 10 -2.289 -3.504 4.302
65 HG12 VAL 10 2HG1 VAL 10 -1.845 -5.186 4.715
66 HG13 VAL 10 3HG1 VAL 10 -0.943 -4.295 3.451
67 HG21 VAL 10 1HG2 VAL 10 0.199 -5.725 5.749
68 HG22 VAL 10 2HG2 VAL 10 1.103 -4.534 6.718
69 HG23 VAL 10 3HG2 VAL 10 1.390 -4.662 4.951
70 HA PRO 11 HA PRO 11 -2.073 -1.494 7.225
71 HB2 PRO 11 1HB PRO 11 -1.502 1.335 8.053
72 HB3 PRO 11 2HB PRO 11 -2.633 0.139 8.779
73 HG2 PRO 11 1HG PRO 11 -0.363 0.725 9.961
74 HG3 PRO 11 2HG PRO 11 -0.937 -0.951 9.867
75 HD2 PRO 11 1HD PRO 11 1.084 0.540 8.257
76 HD3 PRO 11 2HD PRO 11 1.199 -1.078 8.977
77 H CYS 12 H CYS 12 -3.791 -0.514 6.299
78 HA CYS 12 HA CYS 12 -3.054 1.466 4.163
79 HB2 CYS 12 1HB CYS 12 -5.246 -0.663 4.011
80 HB3 CYS 12 2HB CYS 12 -4.826 0.513 2.771
81 HN1 NH2 13 1H NH2 13 -5.981 3.391 4.742
82 HN2 NH2 13 2H NH2 13 -4.744 2.949 3.603
Start of MODEL 16
1 H1 SER 1 1H SER 1 -0.672 -6.163 -9.491
2 H2 SER 1 2H SER 1 0.694 -5.306 -9.161
3 H3 SER 1 3H SER 1 -0.762 -4.611 -9.050
4 HA SER 1 HA SER 1 -1.431 -6.079 -7.233
5 HB2 SER 1 1HB SER 1 0.126 -7.917 -7.759
6 HB3 SER 1 2HB SER 1 1.538 -6.884 -7.424
7 HG SER 1 HG SER 1 1.054 -8.165 -5.649
8 H THR 2 H THR 2 -1.529 -4.994 -5.332
9 HA THR 2 HA THR 2 0.621 -3.203 -4.524
10 HB THR 2 HB THR 2 -0.785 -1.762 -6.091
11 HG1 THR 2 HG1 THR 2 0.047 -0.421 -4.698
12 HG21 THR 2 1HG2 THR 2 -2.913 -2.021 -3.933
13 HG22 THR 2 2HG2 THR 2 -3.001 -2.911 -5.472
14 HG23 THR 2 3HG2 THR 2 -3.025 -1.124 -5.470
15 H CYS 3 H CYS 3 0.126 -2.439 -2.310
16 HA CYS 3 HA CYS 3 -1.282 -4.624 -0.868
17 HB2 CYS 3 1HB CYS 3 0.065 -2.503 0.702
18 HB3 CYS 3 2HB CYS 3 0.153 -4.277 0.841
19 H CYS 4 H CYS 4 -1.163 -1.035 -1.189
20 HA CYS 4 HA CYS 4 -3.819 -0.929 0.215
21 HB2 CYS 4 1HB CYS 4 -1.761 -0.122 1.504
22 HB3 CYS 4 2HB CYS 4 -1.632 1.155 0.310
23 H GLY 5 H GLY 5 -2.045 -0.081 -2.698
24 HA2 GLY 5 1HA GLY 5 -2.823 1.092 -4.531
25 HA3 GLY 5 2HA GLY 5 -4.458 1.105 -3.782
26 H TYR 6 H TYR 6 -1.453 2.619 -2.470
27 HA TYR 6 HA TYR 6 -2.595 5.216 -3.238
28 HB2 TYR 6 1HB TYR 6 -3.536 4.604 -0.959
29 HB3 TYR 6 2HB TYR 6 -1.887 4.625 -0.331
30 HD1 TYR 6 HD1 TYR 6 -4.785 6.599 -1.493
31 HD2 TYR 6 HD2 TYR 6 -0.671 6.900 -0.251
32 HE1 TYR 6 HE1 TYR 6 -4.984 9.055 -1.215
33 HE2 TYR 6 HE2 TYR 6 -0.898 9.324 0.058
34 HH TYR 6 HH TYR 6 -2.315 11.105 0.007
35 H ARG 7 H ARG 7 -0.234 4.668 -0.712
36 HA ARG 7 HA ARG 7 1.911 4.353 -2.671
37 HB2 ARG 7 1HB ARG 7 1.962 6.505 -0.502
38 HB3 ARG 7 2HB ARG 7 3.312 6.058 -1.489
39 HG2 ARG 7 1HG ARG 7 1.835 6.669 -3.502
40 HG3 ARG 7 2HG ARG 7 0.750 7.461 -2.333
41 HD2 ARG 7 1HD ARG 7 2.179 9.178 -3.151
42 HD3 ARG 7 2HD ARG 7 2.769 8.813 -1.539
43 HE ARG 7 HE ARG 7 4.184 7.150 -3.317
44 HH11 ARG 7 1HH1 ARG 7 6.220 7.615 -4.021
45 HH12 ARG 7 2HH1 ARG 7 6.779 9.270 -4.104
46 HH21 ARG 7 1HH2 ARG 7 3.863 10.614 -2.757
47 HH22 ARG 7 2HH2 ARG 7 5.454 10.962 -3.344
48 H MET 8 H MET 8 0.988 4.592 0.773
49 HA MET 8 HA MET 8 3.147 3.065 1.839
50 HB2 MET 8 1HB MET 8 1.871 3.019 3.851
51 HB3 MET 8 2HB MET 8 1.452 4.539 3.066
52 HG2 MET 8 1HG MET 8 -0.643 3.382 2.145
53 HG3 MET 8 2HG MET 8 -0.261 2.002 3.169
54 HE1 MET 8 1HE MET 8 -1.846 6.048 4.601
55 HE2 MET 8 2HE MET 8 -1.739 5.498 2.934
56 HE3 MET 8 3HE MET 8 -0.282 5.956 3.827
57 H CYS 9 H CYS 9 3.085 0.961 2.730
58 HA CYS 9 HA CYS 9 1.274 -0.977 1.376
59 HB2 CYS 9 1HB CYS 9 3.686 -0.972 0.533
60 HB3 CYS 9 2HB CYS 9 4.199 -1.376 2.180
61 H VAL 10 H VAL 10 1.132 -2.958 2.737
62 HA VAL 10 HA VAL 10 -0.313 -2.785 4.914
63 HB VAL 10 HB VAL 10 2.103 -4.667 4.917
64 HG11 VAL 10 1HG1 VAL 10 0.578 -6.223 6.038
65 HG12 VAL 10 2HG1 VAL 10 -0.727 -5.035 5.992
66 HG13 VAL 10 3HG1 VAL 10 0.699 -4.742 6.985
67 HG21 VAL 10 1HG2 VAL 10 0.599 -6.234 3.619
68 HG22 VAL 10 2HG2 VAL 10 1.084 -4.795 2.690
69 HG23 VAL 10 3HG2 VAL 10 -0.552 -4.892 3.395
70 HA PRO 11 HA PRO 11 -1.417 -2.417 7.261
71 HB2 PRO 11 1HB PRO 11 -0.973 0.475 7.965
72 HB3 PRO 11 2HB PRO 11 -1.968 -0.772 8.800
73 HG2 PRO 11 1HG PRO 11 0.303 -0.100 9.857
74 HG3 PRO 11 2HG PRO 11 -0.126 -1.847 9.657
75 HD2 PRO 11 1HD PRO 11 1.622 -0.123 7.939
76 HD3 PRO 11 2HD PRO 11 1.970 -1.720 8.623
77 H CYS 12 H CYS 12 -3.390 -1.154 6.596
78 HA CYS 12 HA CYS 12 -2.922 0.811 4.490
79 HB2 CYS 12 1HB CYS 12 -3.265 -1.375 3.380
80 HB3 CYS 12 2HB CYS 12 -4.820 -1.550 4.226
81 HN1 NH2 13 1H NH2 13 -5.628 2.559 5.892
82 HN2 NH2 13 2H NH2 13 -4.140 2.617 5.022
Start of MODEL 17
1 H1 SER 1 1H SER 1 4.493 -3.487 -3.941
2 H2 SER 1 2H SER 1 6.059 -3.537 -4.453
3 H3 SER 1 3H SER 1 4.978 -2.462 -5.151
4 HA SER 1 HA SER 1 6.250 -2.445 -2.484
5 HB2 SER 1 1HB SER 1 6.867 -0.160 -3.094
6 HB3 SER 1 2HB SER 1 7.328 -1.237 -4.424
7 HG SER 1 HG SER 1 6.272 0.621 -5.236
8 H THR 2 H THR 2 3.170 -1.719 -4.191
9 HA THR 2 HA THR 2 2.244 -0.287 -1.753
10 HB THR 2 HB THR 2 1.271 -0.078 -4.607
11 HG1 THR 2 HG1 THR 2 3.064 1.110 -4.451
12 HG21 THR 2 1HG2 THR 2 -0.145 1.786 -3.754
13 HG22 THR 2 2HG2 THR 2 0.324 1.296 -2.091
14 HG23 THR 2 3HG2 THR 2 -0.627 0.186 -3.141
15 H CYS 3 H CYS 3 0.649 -1.242 -0.628
16 HA CYS 3 HA CYS 3 -0.932 -3.416 -1.980
17 HB2 CYS 3 1HB CYS 3 -0.135 -3.286 0.960
18 HB3 CYS 3 2HB CYS 3 -1.063 -4.538 0.195
19 H CYS 4 H CYS 4 -0.961 -0.387 -0.472
20 HA CYS 4 HA CYS 4 -3.649 -0.745 0.751
21 HB2 CYS 4 1HB CYS 4 -1.739 0.486 1.810
22 HB3 CYS 4 2HB CYS 4 -1.886 1.744 0.554
23 H GLY 5 H GLY 5 -2.593 -0.092 -2.338
24 HA2 GLY 5 1HA GLY 5 -3.735 0.720 -4.209
25 HA3 GLY 5 2HA GLY 5 -5.176 0.831 -3.197
26 H TYR 6 H TYR 6 -2.135 2.520 -2.513
27 HA TYR 6 HA TYR 6 -3.017 5.001 -3.732
28 HB2 TYR 6 1HB TYR 6 -4.148 5.052 -1.575
29 HB3 TYR 6 2HB TYR 6 -2.616 4.764 -0.744
30 HD1 TYR 6 HD1 TYR 6 -4.525 7.293 -2.736
31 HD2 TYR 6 HD2 TYR 6 -0.995 6.579 -0.372
32 HE1 TYR 6 HE1 TYR 6 -4.091 9.733 -2.614
33 HE2 TYR 6 HE2 TYR 6 -0.534 8.978 -0.267
34 HH TYR 6 HH TYR 6 -1.286 11.105 -0.818
35 H ARG 7 H ARG 7 -0.886 4.124 -0.973
36 HA ARG 7 HA ARG 7 1.400 3.711 -2.694
37 HB2 ARG 7 1HB ARG 7 1.197 6.278 -2.179
38 HB3 ARG 7 2HB ARG 7 1.805 5.843 -0.568
39 HG2 ARG 7 1HG ARG 7 3.656 6.580 -1.876
40 HG3 ARG 7 2HG ARG 7 3.786 4.816 -1.730
41 HD2 ARG 7 1HD ARG 7 4.338 5.470 -4.045
42 HD3 ARG 7 2HD ARG 7 2.824 4.577 -4.049
43 HE ARG 7 HE ARG 7 2.192 7.326 -3.877
44 HH11 ARG 7 1HH1 ARG 7 1.522 8.435 -5.755
45 HH12 ARG 7 2HH1 ARG 7 2.047 7.905 -7.307
46 HH21 ARG 7 1HH2 ARG 7 3.884 5.238 -6.117
47 HH22 ARG 7 2HH2 ARG 7 3.370 6.108 -7.507
48 H MET 8 H MET 8 3.211 2.845 -1.255
49 HA MET 8 HA MET 8 3.930 1.553 0.467
50 HB2 MET 8 1HB MET 8 2.805 3.700 1.757
51 HB3 MET 8 2HB MET 8 1.949 2.371 2.534
52 HG2 MET 8 1HG MET 8 3.966 2.947 3.797
53 HG3 MET 8 2HG MET 8 4.074 1.309 3.116
54 HE1 MET 8 1HE MET 8 6.356 5.066 1.623
55 HE2 MET 8 2HE MET 8 5.463 5.001 3.133
56 HE3 MET 8 3HE MET 8 4.584 4.969 1.616
57 H CYS 9 H CYS 9 3.443 -0.179 2.007
58 HA CYS 9 HA CYS 9 1.074 -1.722 1.130
59 HB2 CYS 9 1HB CYS 9 3.945 -2.465 1.721
60 HB3 CYS 9 2HB CYS 9 2.682 -3.631 2.181
61 H VAL 10 H VAL 10 0.700 -3.511 3.037
62 HA VAL 10 HA VAL 10 -0.775 -2.243 4.973
63 HB VAL 10 HB VAL 10 0.635 -4.962 5.325
64 HG11 VAL 10 1HG1 VAL 10 -1.430 -5.556 6.582
65 HG12 VAL 10 2HG1 VAL 10 -1.944 -3.878 6.447
66 HG13 VAL 10 3HG1 VAL 10 -0.482 -4.285 7.327
67 HG21 VAL 10 1HG2 VAL 10 -0.428 -4.925 3.147
68 HG22 VAL 10 2HG2 VAL 10 -1.934 -4.283 3.831
69 HG23 VAL 10 3HG2 VAL 10 -1.384 -5.938 4.231
70 HA PRO 11 HA PRO 11 -1.396 -1.870 7.616
71 HB2 PRO 11 1HB PRO 11 -0.436 0.942 8.067
72 HB3 PRO 11 2HB PRO 11 -1.421 -0.085 9.163
73 HG2 PRO 11 1HG PRO 11 1.103 0.373 9.636
74 HG3 PRO 11 2HG PRO 11 0.472 -1.294 9.880
75 HD2 PRO 11 1HD PRO 11 2.143 -0.242 7.672
76 HD3 PRO 11 2HD PRO 11 2.171 -1.846 8.489
77 H CYS 12 H CYS 12 -3.296 -0.721 7.033
78 HA CYS 12 HA CYS 12 -3.053 1.286 4.975
79 HB2 CYS 12 1HB CYS 12 -3.143 -0.942 3.811
80 HB3 CYS 12 2HB CYS 12 -4.700 -1.217 4.603
81 HN1 NH2 13 1H NH2 13 -5.745 2.858 6.628
82 HN2 NH2 13 2H NH2 13 -4.100 2.975 6.061
Start of MODEL 18
1 H1 SER 1 1H SER 1 3.169 -4.409 -4.871
2 H2 SER 1 2H SER 1 3.051 -4.269 -6.478
3 H3 SER 1 3H SER 1 1.738 -3.878 -5.519
4 HA SER 1 HA SER 1 4.311 -2.501 -5.453
5 HB2 SER 1 1HB SER 1 3.113 -0.627 -6.587
6 HB3 SER 1 2HB SER 1 3.276 -2.074 -7.595
7 HG SER 1 HG SER 1 1.197 -1.324 -7.794
8 H THR 2 H THR 2 0.800 -2.118 -4.597
9 HA THR 2 HA THR 2 1.740 -1.095 -1.970
10 HB THR 2 HB THR 2 0.901 0.904 -3.295
11 HG1 THR 2 HG1 THR 2 0.445 0.758 -1.014
12 HG21 THR 2 1HG2 THR 2 -0.686 -0.572 -4.715
13 HG22 THR 2 2HG2 THR 2 -1.187 1.067 -4.275
14 HG23 THR 2 3HG2 THR 2 -1.843 -0.322 -3.378
15 H CYS 3 H CYS 3 0.375 -1.873 -0.258
16 HA CYS 3 HA CYS 3 -0.729 -4.488 -0.756
17 HB2 CYS 3 1HB CYS 3 -0.571 -2.607 1.608
18 HB3 CYS 3 2HB CYS 3 -1.519 -4.099 1.691
19 H CYS 4 H CYS 4 -2.161 -1.283 -0.150
20 HA CYS 4 HA CYS 4 -4.810 -2.437 -1.040
21 HB2 CYS 4 1HB CYS 4 -4.067 -0.963 1.446
22 HB3 CYS 4 2HB CYS 4 -5.558 -0.475 0.601
23 H GLY 5 H GLY 5 -3.287 0.685 -0.097
24 HA2 GLY 5 1HA GLY 5 -3.105 1.797 -2.633
25 HA3 GLY 5 2HA GLY 5 -4.761 2.095 -2.119
26 H TYR 6 H TYR 6 -1.453 3.000 -1.755
27 HA TYR 6 HA TYR 6 -2.194 5.512 -0.467
28 HB2 TYR 6 1HB TYR 6 -1.777 3.666 1.342
29 HB3 TYR 6 2HB TYR 6 -0.066 3.949 0.971
30 HD1 TYR 6 HD1 TYR 6 0.387 6.720 0.726
31 HD2 TYR 6 HD2 TYR 6 -2.586 4.819 3.197
32 HE1 TYR 6 HE1 TYR 6 0.363 8.682 2.170
33 HE2 TYR 6 HE2 TYR 6 -2.596 6.870 4.677
34 HH TYR 6 HH TYR 6 -1.733 9.007 5.023
35 H ARG 7 H ARG 7 0.478 3.286 -0.915
36 HA ARG 7 HA ARG 7 1.614 3.899 -3.305
37 HB2 ARG 7 1HB ARG 7 2.076 6.317 -2.600
38 HB3 ARG 7 2HB ARG 7 3.012 5.666 -1.247
39 HG2 ARG 7 1HG ARG 7 4.512 4.553 -2.882
40 HG3 ARG 7 2HG ARG 7 3.602 5.348 -4.178
41 HD2 ARG 7 1HD ARG 7 4.129 7.565 -3.037
42 HD3 ARG 7 2HD ARG 7 5.129 6.633 -1.867
43 HE ARG 7 HE ARG 7 5.955 6.008 -4.478
44 HH11 ARG 7 1HH1 ARG 7 7.774 6.892 -5.359
45 HH12 ARG 7 2HH1 ARG 7 8.507 8.317 -4.695
46 HH21 ARG 7 1HH2 ARG 7 6.084 8.738 -2.205
47 HH22 ARG 7 2HH2 ARG 7 7.543 9.345 -2.924
48 H MET 8 H MET 8 2.442 3.920 0.145
49 HA MET 8 HA MET 8 4.430 1.850 -0.123
50 HB2 MET 8 1HB MET 8 3.092 2.610 2.474
51 HB3 MET 8 2HB MET 8 4.753 2.095 2.221
52 HG2 MET 8 1HG MET 8 5.006 4.315 2.690
53 HG3 MET 8 2HG MET 8 4.991 4.365 0.933
54 HE1 MET 8 1HE MET 8 3.276 5.353 4.280
55 HE2 MET 8 2HE MET 8 1.896 4.328 3.802
56 HE3 MET 8 3HE MET 8 1.747 6.105 3.798
57 H CYS 9 H CYS 9 4.300 -0.180 1.274
58 HA CYS 9 HA CYS 9 1.540 -1.341 1.014
59 HB2 CYS 9 1HB CYS 9 4.158 -2.390 0.747
60 HB3 CYS 9 2HB CYS 9 3.526 -3.050 2.261
61 H VAL 10 H VAL 10 0.328 -1.654 2.797
62 HA VAL 10 HA VAL 10 -0.451 -1.462 4.876
63 HB VAL 10 HB VAL 10 2.389 -1.488 5.932
64 HG11 VAL 10 1HG1 VAL 10 0.767 -0.581 7.586
65 HG12 VAL 10 2HG1 VAL 10 1.354 -2.178 8.069
66 HG13 VAL 10 3HG1 VAL 10 -0.246 -2.024 7.362
67 HG21 VAL 10 1HG2 VAL 10 0.416 -3.720 5.492
68 HG22 VAL 10 2HG2 VAL 10 1.942 -3.856 6.365
69 HG23 VAL 10 3HG2 VAL 10 1.945 -3.489 4.635
70 HA PRO 11 HA PRO 11 -1.742 -0.323 6.835
71 HB2 PRO 11 1HB PRO 11 -3.341 1.877 5.569
72 HB3 PRO 11 2HB PRO 11 -3.324 1.279 7.277
73 HG2 PRO 11 1HG PRO 11 -2.263 3.550 6.643
74 HG3 PRO 11 2HG PRO 11 -1.385 2.487 7.765
75 HD2 PRO 11 1HD PRO 11 -0.809 2.954 4.893
76 HD3 PRO 11 2HD PRO 11 0.261 2.748 6.267
77 H CYS 12 H CYS 12 -3.687 -1.462 6.388
78 HA CYS 12 HA CYS 12 -4.881 -1.330 3.758
79 HB2 CYS 12 1HB CYS 12 -2.686 -2.753 3.508
80 HB3 CYS 12 2HB CYS 12 -3.478 -3.911 4.554
81 HN1 NH2 13 1H NH2 13 -7.487 -3.255 5.342
82 HN2 NH2 13 2H NH2 13 -6.875 -2.718 3.808
Start of MODEL 19
1 H1 SER 1 1H SER 1 7.129 -0.632 -2.988
2 H2 SER 1 2H SER 1 6.514 -0.429 -4.562
3 H3 SER 1 3H SER 1 7.644 -1.616 -4.195
4 HA SER 1 HA SER 1 5.476 -2.585 -4.495
5 HB2 SER 1 1HB SER 1 5.400 -3.632 -2.102
6 HB3 SER 1 2HB SER 1 6.878 -3.791 -3.148
7 HG SER 1 HG SER 1 7.483 -3.079 -1.044
8 H THR 2 H THR 2 3.197 -2.559 -3.922
9 HA THR 2 HA THR 2 2.341 -0.697 -1.784
10 HB THR 2 HB THR 2 2.159 0.633 -3.873
11 HG1 THR 2 HG1 THR 2 -0.103 1.037 -3.740
12 HG21 THR 2 1HG2 THR 2 0.258 -1.507 -4.844
13 HG22 THR 2 2HG2 THR 2 1.898 -1.169 -5.494
14 HG23 THR 2 3HG2 THR 2 0.612 0.030 -5.641
15 H CYS 3 H CYS 3 0.281 -1.175 -1.002
16 HA CYS 3 HA CYS 3 -1.007 -3.726 -1.873
17 HB2 CYS 3 1HB CYS 3 -0.348 -3.139 1.044
18 HB3 CYS 3 2HB CYS 3 -1.305 -4.483 0.436
19 H CYS 4 H CYS 4 -0.982 -0.823 0.106
20 HA CYS 4 HA CYS 4 -3.718 -0.945 0.829
21 HB2 CYS 4 1HB CYS 4 -1.947 0.406 1.982
22 HB3 CYS 4 2HB CYS 4 -1.822 1.416 0.549
23 H GLY 5 H GLY 5 -2.043 0.238 -2.089
24 HA2 GLY 5 1HA GLY 5 -3.133 0.785 -4.126
25 HA3 GLY 5 2HA GLY 5 -4.687 0.538 -3.333
26 H TYR 6 H TYR 6 -2.069 2.621 -2.166
27 HA TYR 6 HA TYR 6 -3.348 5.076 -3.273
28 HB2 TYR 6 1HB TYR 6 -4.461 4.644 -1.040
29 HB3 TYR 6 2HB TYR 6 -2.868 4.618 -0.260
30 HD1 TYR 6 HD1 TYR 6 -5.595 6.759 -1.428
31 HD2 TYR 6 HD2 TYR 6 -1.454 6.758 -0.352
32 HE1 TYR 6 HE1 TYR 6 -5.697 9.208 -1.127
33 HE2 TYR 6 HE2 TYR 6 -1.521 9.260 -0.084
34 HH TYR 6 HH TYR 6 -4.564 11.105 -0.580
35 H ARG 7 H ARG 7 -1.109 3.960 -0.740
36 HA ARG 7 HA ARG 7 1.295 4.182 -2.352
37 HB2 ARG 7 1HB ARG 7 0.893 5.952 0.101
38 HB3 ARG 7 2HB ARG 7 2.433 5.634 -0.672
39 HG2 ARG 7 1HG ARG 7 1.429 6.656 -2.811
40 HG3 ARG 7 2HG ARG 7 0.107 7.252 -1.762
41 HD2 ARG 7 1HD ARG 7 1.832 8.319 -0.309
42 HD3 ARG 7 2HD ARG 7 3.088 7.887 -1.519
43 HE ARG 7 HE ARG 7 0.932 9.171 -2.866
44 HH11 ARG 7 1HH1 ARG 7 1.085 11.235 -3.533
45 HH12 ARG 7 2HH1 ARG 7 2.241 12.326 -2.844
46 HH21 ARG 7 1HH2 ARG 7 3.579 9.960 -0.670
47 HH22 ARG 7 2HH2 ARG 7 3.679 11.602 -1.266
48 H MET 8 H MET 8 3.025 3.160 -1.109
49 HA MET 8 HA MET 8 3.878 1.499 0.168
50 HB2 MET 8 1HB MET 8 2.241 3.020 2.222
51 HB3 MET 8 2HB MET 8 3.258 1.681 2.712
52 HG2 MET 8 1HG MET 8 4.672 3.458 3.044
53 HG3 MET 8 2HG MET 8 5.147 2.864 1.441
54 HE1 MET 8 1HE MET 8 6.500 4.889 0.823
55 HE2 MET 8 2HE MET 8 5.698 6.207 -0.088
56 HE3 MET 8 3HE MET 8 5.535 4.525 -0.622
57 H CYS 9 H CYS 9 3.549 -0.249 1.873
58 HA CYS 9 HA CYS 9 1.193 -1.787 1.081
59 HB2 CYS 9 1HB CYS 9 4.031 -2.464 1.660
60 HB3 CYS 9 2HB CYS 9 2.823 -3.550 2.372
61 H VAL 10 H VAL 10 0.600 -3.409 2.905
62 HA VAL 10 HA VAL 10 -0.752 -2.162 4.885
63 HB VAL 10 HB VAL 10 -1.120 -4.498 4.420
64 HG11 VAL 10 1HG1 VAL 10 1.846 -4.895 5.187
65 HG12 VAL 10 2HG1 VAL 10 1.088 -5.201 3.630
66 HG13 VAL 10 3HG1 VAL 10 0.728 -6.255 5.001
67 HG21 VAL 10 1HG2 VAL 10 0.106 -4.605 7.176
68 HG22 VAL 10 2HG2 VAL 10 -1.247 -5.541 6.527
69 HG23 VAL 10 3HG2 VAL 10 -1.452 -3.803 6.832
70 HA PRO 11 HA PRO 11 -1.569 -1.672 7.469
71 HB2 PRO 11 1HB PRO 11 -0.307 1.069 7.878
72 HB3 PRO 11 2HB PRO 11 -1.541 0.242 8.883
73 HG2 PRO 11 1HG PRO 11 0.958 0.321 9.648
74 HG3 PRO 11 2HG PRO 11 0.039 -1.229 9.738
75 HD2 PRO 11 1HD PRO 11 2.082 -0.316 7.646
76 HD3 PRO 11 2HD PRO 11 1.937 -1.936 8.471
77 H CYS 12 H CYS 12 -3.288 -0.258 6.863
78 HA CYS 12 HA CYS 12 -2.831 1.473 4.558
79 HB2 CYS 12 1HB CYS 12 -3.393 -0.728 3.585
80 HB3 CYS 12 2HB CYS 12 -4.859 -0.771 4.573
81 HN1 NH2 13 1H NH2 13 -5.279 3.618 5.643
82 HN2 NH2 13 2H NH2 13 -4.104 3.262 4.434
Start of MODEL 20
1 H1 SER 1 1H SER 1 3.215 -5.997 -6.525
2 H2 SER 1 2H SER 1 2.953 -7.617 -6.531
3 H3 SER 1 3H SER 1 3.174 -6.867 -5.107
4 HA SER 1 HA SER 1 0.923 -6.477 -6.975
5 HB2 SER 1 1HB SER 1 1.001 -7.748 -4.206
6 HB3 SER 1 2HB SER 1 -0.402 -7.607 -5.298
7 HG SER 1 HG SER 1 0.350 -9.518 -5.943
8 H THR 2 H THR 2 -0.637 -4.893 -6.347
9 HA THR 2 HA THR 2 0.322 -2.609 -4.906
10 HB THR 2 HB THR 2 -2.495 -3.499 -5.694
11 HG1 THR 2 HG1 THR 2 -0.924 -1.737 -7.151
12 HG21 THR 2 1HG2 THR 2 -1.407 -0.773 -4.937
13 HG22 THR 2 2HG2 THR 2 -2.799 -1.647 -4.267
14 HG23 THR 2 3HG2 THR 2 -2.872 -1.004 -5.902
15 H CYS 3 H CYS 3 0.324 -2.230 -2.748
16 HA CYS 3 HA CYS 3 -0.967 -4.135 -0.939
17 HB2 CYS 3 1HB CYS 3 0.322 -1.477 -0.248
18 HB3 CYS 3 2HB CYS 3 -0.050 -2.797 0.844
19 H CYS 4 H CYS 4 -1.441 -0.532 -1.276
20 HA CYS 4 HA CYS 4 -4.166 -1.004 -0.105
21 HB2 CYS 4 1HB CYS 4 -2.298 0.041 1.386
22 HB3 CYS 4 2HB CYS 4 -2.542 1.490 0.461
23 H GLY 5 H GLY 5 -2.365 0.487 -2.676
24 HA2 GLY 5 1HA GLY 5 -3.288 1.392 -4.570
25 HA3 GLY 5 2HA GLY 5 -4.862 1.542 -3.766
26 H TYR 6 H TYR 6 -1.739 2.712 -2.434
27 HA TYR 6 HA TYR 6 -2.578 5.535 -3.060
28 HB2 TYR 6 1HB TYR 6 -1.784 4.375 -0.358
29 HB3 TYR 6 2HB TYR 6 -1.684 6.096 -0.714
30 HD1 TYR 6 HD1 TYR 6 -3.823 7.330 -1.085
31 HD2 TYR 6 HD2 TYR 6 -3.861 3.188 -0.064
32 HE1 TYR 6 HE1 TYR 6 -6.243 7.526 -0.512
33 HE2 TYR 6 HE2 TYR 6 -6.280 3.355 0.593
34 HH TYR 6 HH TYR 6 -8.136 4.778 0.741
35 H ARG 7 H ARG 7 -0.187 3.490 -1.426
36 HA ARG 7 HA ARG 7 1.840 3.245 -3.144
37 HB2 ARG 7 1HB ARG 7 3.614 4.930 -2.704
38 HB3 ARG 7 2HB ARG 7 2.225 5.609 -3.549
39 HG2 ARG 7 1HG ARG 7 1.429 6.769 -1.625
40 HG3 ARG 7 2HG ARG 7 2.538 5.920 -0.531
41 HD2 ARG 7 1HD ARG 7 3.500 7.546 -2.917
42 HD3 ARG 7 2HD ARG 7 3.187 8.274 -1.320
43 HE ARG 7 HE ARG 7 4.921 6.962 -0.337
44 HH11 ARG 7 1HH1 ARG 7 6.923 6.104 -0.493
45 HH12 ARG 7 2HH1 ARG 7 7.595 5.646 -2.048
46 HH21 ARG 7 1HH2 ARG 7 4.871 6.630 -3.884
47 HH22 ARG 7 2HH2 ARG 7 6.470 5.908 -3.878
48 H MET 8 H MET 8 0.914 4.126 0.118
49 HA MET 8 HA MET 8 3.116 2.916 1.511
50 HB2 MET 8 1HB MET 8 0.233 3.249 2.473
51 HB3 MET 8 2HB MET 8 1.686 3.057 3.462
52 HG2 MET 8 1HG MET 8 1.386 5.298 3.666
53 HG3 MET 8 2HG MET 8 2.406 5.291 2.212
54 HE1 MET 8 1HE MET 8 -0.968 6.732 3.580
55 HE2 MET 8 2HE MET 8 -1.351 5.027 3.267
56 HE3 MET 8 3HE MET 8 -2.111 6.299 2.292
57 H CYS 9 H CYS 9 3.218 0.880 2.605
58 HA CYS 9 HA CYS 9 1.271 -1.177 1.702
59 HB2 CYS 9 1HB CYS 9 3.685 -1.302 0.831
60 HB3 CYS 9 2HB CYS 9 4.089 -1.792 2.487
61 H VAL 10 H VAL 10 1.596 -3.116 3.389
62 HA VAL 10 HA VAL 10 0.055 -2.850 5.418
63 HB VAL 10 HB VAL 10 1.600 -4.482 6.725
64 HG11 VAL 10 1HG1 VAL 10 -0.265 -5.179 5.307
65 HG12 VAL 10 2HG1 VAL 10 1.123 -6.272 5.113
66 HG13 VAL 10 3HG1 VAL 10 0.732 -5.017 3.837
67 HG21 VAL 10 1HG2 VAL 10 3.201 -4.486 4.129
68 HG22 VAL 10 2HG2 VAL 10 3.530 -5.352 5.651
69 HG23 VAL 10 3HG2 VAL 10 3.739 -3.589 5.597
70 HA PRO 11 HA PRO 11 -1.224 -2.486 7.432
71 HB2 PRO 11 1HB PRO 11 -1.523 0.359 8.322
72 HB3 PRO 11 2HB PRO 11 -2.239 -1.147 8.995
73 HG2 PRO 11 1HG PRO 11 -0.292 0.015 10.247
74 HG3 PRO 11 2HG PRO 11 -0.229 -1.733 9.998
75 HD2 PRO 11 1HD PRO 11 1.190 0.373 8.391
76 HD3 PRO 11 2HD PRO 11 1.872 -1.119 9.114
77 H CYS 12 H CYS 12 -3.319 -1.555 6.721
78 HA CYS 12 HA CYS 12 -3.258 0.540 4.662
79 HB2 CYS 12 1HB CYS 12 -2.995 -1.622 3.371
80 HB3 CYS 12 2HB CYS 12 -4.357 -2.285 4.302
81 HN1 NH2 13 1H NH2 13 -6.472 1.311 5.823
82 HN2 NH2 13 2H NH2 13 -5.163 1.748 4.764
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