Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
581104 | 2moa RC | 19932 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 61.430 -5.966 26.943
2 H2 GLY 1 HT2 GLY 1 61.069 -5.067 28.281
3 H3 GLY 1 HT3 GLY 1 62.573 -5.698 28.100
4 HA2 GLY 1 HA1 GLY 1 62.430 -3.286 27.632
5 HA3 GLY 1 HA2 GLY 1 63.128 -4.290 26.346
6 H1 81S 2 HN 81S 2 60.314 -2.351 27.305
7 H4 81S 2 HA 81S 2 59.175 -2.713 24.535
8 H5 81S 2 HB2 81S 2 57.802 -2.106 27.158
9 H6 81S 2 HB3 81S 2 57.010 -2.296 25.611
10 H7 81S 2 HG 81S 2 56.526 -4.212 26.794
11 H8 81S 2 HD2 81S 2 57.543 -4.293 24.322
12 H9 81S 2 HD3 81S 2 58.806 -5.227 25.087
13 H ALA 3 HN ALA 3 60.793 -0.459 26.220
14 HA ALA 3 HA ALA 3 59.417 1.906 26.260
15 HB1 ALA 3 HB1 ALA 3 61.631 3.004 26.157
16 HB2 ALA 3 HB2 ALA 3 62.350 1.513 25.512
17 HB3 ALA 3 HB3 ALA 3 61.680 1.547 27.163
18 H SER 4 HN SER 4 60.377 0.392 23.274
19 HA SER 4 HA SER 4 59.756 2.842 21.672
20 HB2 SER 4 HB2 SER 4 62.038 1.962 21.497
21 HB3 SER 4 HB3 SER 4 61.405 0.374 21.081
22 HG SER 4 HG SER 4 61.842 1.154 19.198
23 H ASP 5 HN ASP 5 58.107 0.283 22.846
24 HA ASP 5 HA ASP 5 56.407 -0.079 20.416
25 HB2 ASP 5 HB2 ASP 5 57.980 -1.977 20.770
26 HB3 ASP 5 HB3 ASP 5 57.287 -2.247 22.369
27 HA PRO 6 HA PRO 6 53.920 1.786 23.918
28 HB2 PRO 6 HB2 PRO 6 52.308 2.188 21.377
29 HB3 PRO 6 HB3 PRO 6 52.382 3.231 22.837
30 HG2 PRO 6 HG2 PRO 6 53.916 3.852 20.718
31 HG3 PRO 6 HG3 PRO 6 54.653 3.863 22.356
32 HD2 PRO 6 HD2 PRO 6 54.848 1.750 20.211
33 HD3 PRO 6 HD3 PRO 6 56.110 2.373 21.309
34 H ARG 7 HN ARG 7 52.713 -0.438 21.372
35 HA ARG 7 HA ARG 7 50.359 -1.385 22.739
36 HB2 ARG 7 HB2 ARG 7 52.080 -2.687 20.607
37 HB3 ARG 7 HB3 ARG 7 50.493 -3.268 21.087
38 HG2 ARG 7 HG2 ARG 7 51.015 -0.573 19.770
39 HG3 ARG 7 HG3 ARG 7 50.505 -2.040 18.967
40 HD2 ARG 7 HD2 ARG 7 48.512 -0.816 19.222
41 HD3 ARG 7 HD3 ARG 7 48.439 -2.059 20.465
42 HE ARG 7 HE ARG 7 48.489 -0.414 22.101
43 HH11 ARG 7 HH12 ARG 7 49.432 1.175 19.091
44 HH12 ARG 7 HH11 ARG 7 49.815 2.666 19.917
45 HH21 ARG 7 HH22 ARG 7 48.888 1.507 23.047
46 HH22 ARG 7 HH21 ARG 7 49.372 2.894 22.114
47 H CYS 8 HN CYS 8 53.554 -1.993 23.618
48 HA CYS 8 HA CYS 8 52.587 -4.129 25.498
49 HB2 CYS 8 HB2 CYS 8 54.198 -4.820 23.593
50 HB3 CYS 8 HB3 CYS 8 55.388 -3.827 24.389
51 H ALA 9 HN ALA 9 54.295 -1.080 25.039
52 HA ALA 9 HA ALA 9 55.840 -1.020 27.300
53 HB1 ALA 9 HB1 ALA 9 54.359 1.340 26.079
54 HB2 ALA 9 HB2 ALA 9 55.819 0.609 25.383
55 HB3 ALA 9 HB3 ALA 9 55.896 1.391 26.967
56 H TRP 10 HN TRP 10 52.348 -0.478 27.208
57 HA TRP 10 HA TRP 10 51.834 0.576 29.769
58 HB2 TRP 10 HB2 TRP 10 49.651 -0.537 29.538
59 HB3 TRP 10 HB3 TRP 10 50.125 0.305 28.075
60 HD1 TRP 10 HD1 TRP 10 50.348 -1.073 25.888
61 HE1 TRP 10 HE1 TRP 10 49.982 -3.519 25.216
62 HE3 TRP 10 HE3 TRP 10 49.667 -3.114 30.544
63 HZ2 TRP 10 HZ2 TRP 10 49.518 -6.043 26.519
64 HZ3 TRP 10 HZ3 TRP 10 49.276 -5.554 30.794
65 HH2 TRP 10 HH2 TRP 10 49.220 -7.029 28.799
66 H ARG 11 HN ARG 11 52.990 -2.688 28.992
67 HA ARG 11 HA ARG 11 52.380 -3.735 31.676
68 HB2 ARG 11 HB2 ARG 11 52.339 -5.059 29.465
69 HB3 ARG 11 HB3 ARG 11 54.102 -5.026 29.535
70 HG2 ARG 11 HG2 ARG 11 53.910 -6.120 31.859
71 HG3 ARG 11 HG3 ARG 11 52.172 -6.268 31.550
72 HD2 ARG 11 HD2 ARG 11 52.743 -7.583 29.473
73 HD3 ARG 11 HD3 ARG 11 54.449 -7.469 29.933
74 HE ARG 11 HE ARG 11 52.477 -8.684 31.828
75 HH11 ARG 11 HH11 ARG 11 55.425 -9.205 29.949
76 HH12 ARG 11 HH12 ARG 11 55.511 -10.881 30.448
77 HH21 ARG 11 HH22 ARG 11 52.721 -10.796 32.431
78 HH22 ARG 11 HH21 ARG 11 54.025 -11.736 31.748
79 H CYS 12 HN CYS 12 55.085 -2.240 30.069
80 HA CYS 12 HA CYS 12 57.030 -3.255 32.100
81 HB2 CYS 12 HB2 CYS 12 57.478 -2.269 29.279
82 HB3 CYS 12 HB3 CYS 12 58.689 -2.984 30.332
83 HN1 NH2 13 HN1 NH2 13 59.003 -1.953 32.534
84 HN2 NH2 13 HN2 NH2 13 58.805 -0.214 32.703
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 63.662 -5.179 28.021
2 H2 GLY 1 HT2 GLY 1 63.626 -4.892 26.401
3 H3 GLY 1 HT3 GLY 1 62.416 -5.758 27.112
4 HA2 GLY 1 HA1 GLY 1 61.757 -3.835 28.417
5 HA3 GLY 1 HA2 GLY 1 63.002 -2.902 27.560
6 H1 81S 2 HN 81S 2 60.408 -2.048 27.483
7 H4 81S 2 HA 81S 2 59.394 -2.802 24.733
8 H5 81S 2 HB2 81S 2 57.889 -1.969 27.224
9 H6 81S 2 HB3 81S 2 57.148 -2.338 25.689
10 H7 81S 2 HG 81S 2 56.690 -4.150 27.023
11 H8 81S 2 HD2 81S 2 57.789 -4.402 24.581
12 H9 81S 2 HD3 81S 2 59.012 -5.279 25.454
13 H ALA 3 HN ALA 3 60.792 -0.220 26.110
14 HA ALA 3 HA ALA 3 58.996 1.885 25.986
15 HB1 ALA 3 HB1 ALA 3 60.943 3.369 26.010
16 HB2 ALA 3 HB2 ALA 3 61.981 2.055 25.420
17 HB3 ALA 3 HB3 ALA 3 61.242 1.954 27.039
18 H SER 4 HN SER 4 60.748 0.568 23.173
19 HA SER 4 HA SER 4 59.822 2.728 21.381
20 HB2 SER 4 HB2 SER 4 61.433 0.208 20.891
21 HB3 SER 4 HB3 SER 4 60.855 1.262 19.598
22 HG SER 4 HG SER 4 62.690 1.830 21.667
23 H ASP 5 HN ASP 5 58.272 0.053 22.700
24 HA ASP 5 HA ASP 5 56.355 -0.172 20.420
25 HB2 ASP 5 HB2 ASP 5 57.762 -2.168 20.643
26 HB3 ASP 5 HB3 ASP 5 57.315 -2.317 22.342
27 HA PRO 6 HA PRO 6 54.131 1.835 24.056
28 HB2 PRO 6 HB2 PRO 6 52.506 2.343 21.541
29 HB3 PRO 6 HB3 PRO 6 52.609 3.349 23.024
30 HG2 PRO 6 HG2 PRO 6 54.167 3.971 20.926
31 HG3 PRO 6 HG3 PRO 6 54.905 3.913 22.563
32 HD2 PRO 6 HD2 PRO 6 55.038 1.877 20.352
33 HD3 PRO 6 HD3 PRO 6 56.309 2.398 21.494
34 H ARG 7 HN ARG 7 52.868 -0.337 21.524
35 HA ARG 7 HA ARG 7 50.458 -1.266 22.742
36 HB2 ARG 7 HB2 ARG 7 52.505 -2.587 20.924
37 HB3 ARG 7 HB3 ARG 7 50.965 -3.333 21.315
38 HG2 ARG 7 HG2 ARG 7 51.082 -0.572 20.019
39 HG3 ARG 7 HG3 ARG 7 51.198 -2.062 19.098
40 HD2 ARG 7 HD2 ARG 7 48.952 -1.567 18.954
41 HD3 ARG 7 HD3 ARG 7 49.017 -2.812 20.187
42 HE ARG 7 HE ARG 7 48.854 0.129 20.865
43 HH11 ARG 7 HH11 ARG 7 47.358 -3.077 21.269
44 HH12 ARG 7 HH12 ARG 7 46.067 -2.378 22.212
45 HH21 ARG 7 HH21 ARG 7 47.216 0.851 21.956
46 HH22 ARG 7 HH22 ARG 7 45.948 -0.207 22.557
47 H CYS 8 HN CYS 8 53.822 -2.235 23.476
48 HA CYS 8 HA CYS 8 52.770 -4.148 25.528
49 HB2 CYS 8 HB2 CYS 8 54.458 -4.884 23.739
50 HB3 CYS 8 HB3 CYS 8 55.614 -3.862 24.535
51 H ALA 9 HN ALA 9 54.537 -1.105 25.072
52 HA ALA 9 HA ALA 9 55.871 -0.901 27.437
53 HB1 ALA 9 HB1 ALA 9 55.783 0.818 25.584
54 HB2 ALA 9 HB2 ALA 9 55.584 1.557 27.183
55 HB3 ALA 9 HB3 ALA 9 54.158 1.296 26.163
56 H TRP 10 HN TRP 10 52.481 -0.460 26.887
57 HA TRP 10 HA TRP 10 50.881 -0.079 28.953
58 HB2 TRP 10 HB2 TRP 10 50.797 -1.385 26.652
59 HB3 TRP 10 HB3 TRP 10 51.057 -2.811 27.617
60 HD1 TRP 10 HD1 TRP 10 48.552 -0.659 26.198
61 HE1 TRP 10 HE1 TRP 10 46.179 -1.427 26.863
62 HE3 TRP 10 HE3 TRP 10 49.740 -3.728 30.134
63 HZ2 TRP 10 HZ2 TRP 10 44.964 -2.965 28.962
64 HZ3 TRP 10 HZ3 TRP 10 47.953 -4.831 31.445
65 HH2 TRP 10 HH2 TRP 10 45.562 -4.467 30.873
66 H ARG 11 HN ARG 11 53.051 -2.953 28.903
67 HA ARG 11 HA ARG 11 52.206 -3.869 31.609
68 HB2 ARG 11 HB2 ARG 11 52.189 -5.460 29.780
69 HB3 ARG 11 HB3 ARG 11 53.829 -5.022 29.299
70 HG2 ARG 11 HG2 ARG 11 54.739 -6.006 31.351
71 HG3 ARG 11 HG3 ARG 11 53.105 -6.442 31.893
72 HD2 ARG 11 HD2 ARG 11 52.841 -7.989 30.057
73 HD3 ARG 11 HD3 ARG 11 54.294 -7.373 29.248
74 HE ARG 11 HE ARG 11 55.391 -8.186 31.544
75 HH11 ARG 11 HH12 ARG 11 53.175 -10.014 29.485
76 HH12 ARG 11 HH11 ARG 11 53.799 -11.537 30.072
77 HH21 ARG 11 HH22 ARG 11 56.125 -10.159 32.215
78 HH22 ARG 11 HH21 ARG 11 55.387 -11.607 31.597
79 H CYS 12 HN CYS 12 54.896 -2.252 30.093
80 HA CYS 12 HA CYS 12 56.780 -3.136 32.222
81 HB2 CYS 12 HB2 CYS 12 57.252 -2.075 29.417
82 HB3 CYS 12 HB3 CYS 12 58.491 -2.608 30.549
83 HN1 NH2 13 HN1 NH2 13 55.063 -0.250 31.495
84 HN2 NH2 13 HN2 NH2 13 56.197 0.851 32.263
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 64.293 -3.104 26.019
2 H2 GLY 1 HT2 GLY 1 64.755 -2.447 27.453
3 H3 GLY 1 HT3 GLY 1 63.971 -1.525 26.338
4 HA2 GLY 1 HA1 GLY 1 62.823 -3.812 27.802
5 HA3 GLY 1 HA2 GLY 1 62.471 -2.103 28.111
6 H1 81S 2 HN 81S 2 60.469 -1.753 27.483
7 H4 81S 2 HA 81S 2 59.522 -2.665 24.764
8 H5 81S 2 HB2 81S 2 57.770 -1.926 27.106
9 H6 81S 2 HB3 81S 2 57.294 -2.634 25.601
10 H7 81S 2 HG 81S 2 57.006 -4.286 27.198
11 H8 81S 2 HD2 81S 2 59.557 -4.736 25.614
12 H9 81S 2 HD3 81S 2 58.692 -6.014 26.454
13 H ALA 3 HN ALA 3 60.546 0.092 26.372
14 HA ALA 3 HA ALA 3 58.565 1.971 26.019
15 HB1 ALA 3 HB1 ALA 3 61.582 2.376 25.760
16 HB2 ALA 3 HB2 ALA 3 60.640 2.359 27.268
17 HB3 ALA 3 HB3 ALA 3 60.393 3.654 26.089
18 H SER 4 HN SER 4 60.692 0.763 23.443
19 HA SER 4 HA SER 4 59.792 2.674 21.427
20 HB2 SER 4 HB2 SER 4 61.312 0.055 21.234
21 HB3 SER 4 HB3 SER 4 60.969 1.116 19.869
22 HG SER 4 HG SER 4 62.983 1.544 20.697
23 H ASP 5 HN ASP 5 58.307 -0.147 22.746
24 HA ASP 5 HA ASP 5 56.550 -0.549 20.363
25 HB2 ASP 5 HB2 ASP 5 58.036 -2.417 21.015
26 HB3 ASP 5 HB3 ASP 5 57.343 -2.422 22.631
27 HA PRO 6 HA PRO 6 54.304 1.848 23.700
28 HB2 PRO 6 HB2 PRO 6 52.157 2.645 22.059
29 HB3 PRO 6 HB3 PRO 6 53.678 3.538 22.321
30 HG2 PRO 6 HG2 PRO 6 52.987 1.637 20.069
31 HG3 PRO 6 HG3 PRO 6 53.784 3.243 19.970
32 HD2 PRO 6 HD2 PRO 6 55.260 1.021 19.871
33 HD3 PRO 6 HD3 PRO 6 55.816 2.381 20.892
34 H ARG 7 HN ARG 7 52.686 -0.404 21.438
35 HA ARG 7 HA ARG 7 50.378 -1.021 23.021
36 HB2 ARG 7 HB2 ARG 7 51.950 -2.712 21.038
37 HB3 ARG 7 HB3 ARG 7 50.340 -3.113 21.610
38 HG2 ARG 7 HG2 ARG 7 50.832 -0.466 20.179
39 HG3 ARG 7 HG3 ARG 7 50.678 -1.967 19.283
40 HD2 ARG 7 HD2 ARG 7 48.549 -0.876 19.321
41 HD3 ARG 7 HD3 ARG 7 48.467 -2.381 20.225
42 HE ARG 7 HE ARG 7 48.977 0.099 21.785
43 HH11 ARG 7 HH12 ARG 7 46.540 -2.304 21.020
44 HH12 ARG 7 HH11 ARG 7 45.282 -1.340 21.798
45 HH21 ARG 7 HH21 ARG 7 47.508 0.997 22.992
46 HH22 ARG 7 HH22 ARG 7 45.886 0.341 23.145
47 H CYS 8 HN CYS 8 53.676 -2.068 23.390
48 HA CYS 8 HA CYS 8 52.999 -4.217 25.327
49 HB2 CYS 8 HB2 CYS 8 54.621 -4.394 23.309
50 HB3 CYS 8 HB3 CYS 8 55.668 -3.308 24.172
51 H ALA 9 HN ALA 9 54.651 -1.061 25.052
52 HA ALA 9 HA ALA 9 55.976 -0.914 27.438
53 HB1 ALA 9 HB1 ALA 9 56.030 0.800 25.650
54 HB2 ALA 9 HB2 ALA 9 55.726 1.535 27.236
55 HB3 ALA 9 HB3 ALA 9 54.391 1.309 26.091
56 H TRP 10 HN TRP 10 52.539 -0.425 26.932
57 HA TRP 10 HA TRP 10 51.258 0.134 29.234
58 HB2 TRP 10 HB2 TRP 10 50.899 -1.650 26.915
59 HB3 TRP 10 HB3 TRP 10 50.136 -2.322 28.341
60 HD1 TRP 10 HD1 TRP 10 49.372 -0.052 25.636
61 HE1 TRP 10 HE1 TRP 10 47.321 1.438 26.205
62 HE3 TRP 10 HE3 TRP 10 49.168 -0.878 30.656
63 HZ2 TRP 10 HZ2 TRP 10 45.665 1.963 28.521
64 HZ3 TRP 10 HZ3 TRP 10 47.333 0.118 32.041
65 HH2 TRP 10 HH2 TRP 10 45.588 1.528 30.973
66 H ARG 11 HN ARG 11 52.785 -3.096 28.730
67 HA ARG 11 HA ARG 11 52.145 -3.816 31.570
68 HB2 ARG 11 HB2 ARG 11 51.167 -5.050 29.557
69 HB3 ARG 11 HB3 ARG 11 52.783 -5.698 29.269
70 HG2 ARG 11 HG2 ARG 11 52.737 -6.898 31.376
71 HG3 ARG 11 HG3 ARG 11 51.318 -5.987 31.935
72 HD2 ARG 11 HD2 ARG 11 49.941 -6.991 30.162
73 HD3 ARG 11 HD3 ARG 11 51.328 -7.887 29.543
74 HE ARG 11 HE ARG 11 49.786 -8.392 32.019
75 HH11 ARG 11 HH12 ARG 11 52.718 -9.293 30.248
76 HH12 ARG 11 HH11 ARG 11 52.858 -10.801 31.115
77 HH21 ARG 11 HH22 ARG 11 49.996 -10.386 32.988
78 HH22 ARG 11 HH21 ARG 11 51.419 -11.351 32.659
79 H CYS 12 HN CYS 12 54.538 -2.355 30.288
80 HA CYS 12 HA CYS 12 56.758 -4.183 30.592
81 HB2 CYS 12 HB2 CYS 12 56.546 -2.220 28.998
82 HB3 CYS 12 HB3 CYS 12 56.980 -1.188 30.353
83 HN1 NH2 13 HN1 NH2 13 58.362 -4.421 32.151
84 HN2 NH2 13 HN2 NH2 13 58.282 -3.629 33.712
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 63.398 -4.676 25.884
2 H2 GLY 1 HT2 GLY 1 62.225 -5.744 26.334
3 H3 GLY 1 HT3 GLY 1 63.479 -5.408 27.347
4 HA2 GLY 1 HA1 GLY 1 61.498 -4.288 28.102
5 HA3 GLY 1 HA2 GLY 1 62.739 -3.125 27.583
6 H1 81S 2 HN 81S 2 60.141 -2.201 27.638
7 H4 81S 2 HA 81S 2 59.027 -2.613 24.868
8 H5 81S 2 HB2 81S 2 57.466 -2.092 27.399
9 H6 81S 2 HB3 81S 2 56.840 -2.515 25.849
10 H7 81S 2 HG 81S 2 56.598 -4.382 27.285
11 H8 81S 2 HD2 81S 2 57.723 -4.390 24.738
12 H9 81S 2 HD3 81S 2 58.818 -5.428 25.606
13 H ALA 3 HN ALA 3 60.373 -0.199 26.665
14 HA ALA 3 HA ALA 3 58.757 2.023 26.548
15 HB1 ALA 3 HB1 ALA 3 61.004 1.929 27.565
16 HB2 ALA 3 HB2 ALA 3 60.848 3.337 26.501
17 HB3 ALA 3 HB3 ALA 3 61.748 1.908 25.952
18 H SER 4 HN SER 4 60.415 0.636 23.735
19 HA SER 4 HA SER 4 59.303 2.724 21.924
20 HB2 SER 4 HB2 SER 4 61.496 0.686 21.455
21 HB3 SER 4 HB3 SER 4 60.957 1.924 20.306
22 HG SER 4 HG SER 4 62.789 2.585 21.409
23 H ASP 5 HN ASP 5 57.943 0.103 23.068
24 HA ASP 5 HA ASP 5 56.763 -0.744 20.443
25 HB2 ASP 5 HB2 ASP 5 58.116 -2.506 21.606
26 HB3 ASP 5 HB3 ASP 5 56.995 -2.438 22.959
27 HA PRO 6 HA PRO 6 53.868 1.987 22.772
28 HB2 PRO 6 HB2 PRO 6 52.500 1.685 20.077
29 HB3 PRO 6 HB3 PRO 6 52.576 3.124 21.143
30 HG2 PRO 6 HG2 PRO 6 54.273 2.922 19.056
31 HG3 PRO 6 HG3 PRO 6 54.887 3.459 20.653
32 HD2 PRO 6 HD2 PRO 6 55.125 0.745 19.357
33 HD3 PRO 6 HD3 PRO 6 56.313 1.655 20.326
34 H ARG 7 HN ARG 7 52.987 -0.994 21.074
35 HA ARG 7 HA ARG 7 50.360 -1.284 22.358
36 HB2 ARG 7 HB2 ARG 7 52.100 -3.193 20.772
37 HB3 ARG 7 HB3 ARG 7 50.461 -3.555 21.325
38 HG2 ARG 7 HG2 ARG 7 49.494 -1.841 19.926
39 HG3 ARG 7 HG3 ARG 7 51.085 -1.192 19.507
40 HD2 ARG 7 HD2 ARG 7 50.358 -2.509 17.662
41 HD3 ARG 7 HD3 ARG 7 51.689 -3.343 18.432
42 HE ARG 7 HE ARG 7 50.001 -4.859 19.521
43 HH11 ARG 7 HH11 ARG 7 48.768 -3.111 16.684
44 HH12 ARG 7 HH12 ARG 7 47.804 -4.526 16.255
45 HH21 ARG 7 HH21 ARG 7 48.651 -6.430 18.898
46 HH22 ARG 7 HH22 ARG 7 47.743 -6.251 17.386
47 H CYS 8 HN CYS 8 53.636 -2.115 23.360
48 HA CYS 8 HA CYS 8 52.549 -3.939 25.479
49 HB2 CYS 8 HB2 CYS 8 54.190 -4.803 23.691
50 HB3 CYS 8 HB3 CYS 8 55.388 -3.762 24.435
51 H ALA 9 HN ALA 9 54.061 -0.852 24.943
52 HA ALA 9 HA ALA 9 55.751 -0.643 27.027
53 HB1 ALA 9 HB1 ALA 9 55.379 1.811 26.891
54 HB2 ALA 9 HB2 ALA 9 53.854 1.535 26.025
55 HB3 ALA 9 HB3 ALA 9 55.400 1.075 25.279
56 H TRP 10 HN TRP 10 52.219 -0.208 27.396
57 HA TRP 10 HA TRP 10 51.943 0.498 30.056
58 HB2 TRP 10 HB2 TRP 10 49.823 -0.603 29.976
59 HB3 TRP 10 HB3 TRP 10 50.121 0.176 28.435
60 HD1 TRP 10 HD1 TRP 10 50.387 -1.424 26.308
61 HE1 TRP 10 HE1 TRP 10 49.857 -3.880 25.860
62 HE3 TRP 10 HE3 TRP 10 49.748 -3.013 31.145
63 HZ2 TRP 10 HZ2 TRP 10 49.198 -6.236 27.386
64 HZ3 TRP 10 HZ3 TRP 10 49.183 -5.389 31.610
65 HH2 TRP 10 HH2 TRP 10 48.900 -7.001 29.740
66 H ARG 11 HN ARG 11 52.936 -2.689 28.888
67 HA ARG 11 HA ARG 11 52.472 -4.113 31.389
68 HB2 ARG 11 HB2 ARG 11 52.367 -5.019 29.001
69 HB3 ARG 11 HB3 ARG 11 54.132 -4.954 28.974
70 HG2 ARG 11 HG2 ARG 11 54.229 -6.584 30.837
71 HG3 ARG 11 HG3 ARG 11 52.452 -6.586 30.929
72 HD2 ARG 11 HD2 ARG 11 52.350 -7.394 28.577
73 HD3 ARG 11 HD3 ARG 11 54.121 -7.435 28.515
74 HE ARG 11 HE ARG 11 53.500 -9.018 30.709
75 HH11 ARG 11 HH12 ARG 11 52.717 -9.246 27.239
76 HH12 ARG 11 HH11 ARG 11 52.247 -10.922 27.454
77 HH21 ARG 11 HH22 ARG 11 53.173 -11.283 30.629
78 HH22 ARG 11 HH21 ARG 11 52.623 -11.971 29.114
79 H CYS 12 HN CYS 12 55.018 -2.196 30.113
80 HA CYS 12 HA CYS 12 56.851 -2.931 32.376
81 HB2 CYS 12 HB2 CYS 12 57.586 -2.198 29.527
82 HB3 CYS 12 HB3 CYS 12 58.713 -2.637 30.807
83 HN1 NH2 13 HN1 NH2 13 58.750 -0.821 31.793
84 HN2 NH2 13 HN2 NH2 13 57.943 0.698 32.125
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 62.164 -6.419 26.637
2 H2 GLY 1 HT2 GLY 1 63.529 -5.871 27.364
3 H3 GLY 1 HT3 GLY 1 63.250 -5.532 25.778
4 HA2 GLY 1 HA1 GLY 1 61.680 -4.538 28.063
5 HA3 GLY 1 HA2 GLY 1 62.801 -3.578 27.070
6 H1 81S 2 HN 81S 2 60.139 -2.903 27.477
7 H4 81S 2 HA 81S 2 58.875 -3.325 24.782
8 H5 81S 2 HB2 81S 2 57.263 -3.101 27.352
9 H6 81S 2 HB3 81S 2 56.737 -3.513 25.785
10 H7 81S 2 HG 81S 2 56.632 -5.439 27.214
11 H8 81S 2 HD2 81S 2 58.349 -5.395 24.769
12 H9 81S 2 HD3 81S 2 58.473 -6.815 25.744
13 H ALA 3 HN ALA 3 60.008 -0.958 26.929
14 HA ALA 3 HA ALA 3 58.124 1.080 26.901
15 HB1 ALA 3 HB1 ALA 3 60.056 2.576 27.265
16 HB2 ALA 3 HB2 ALA 3 61.161 1.301 26.709
17 HB3 ALA 3 HB3 ALA 3 60.212 1.080 28.200
18 H SER 4 HN SER 4 60.395 0.315 24.220
19 HA SER 4 HA SER 4 59.485 2.600 22.617
20 HB2 SER 4 HB2 SER 4 61.392 0.372 21.878
21 HB3 SER 4 HB3 SER 4 61.082 1.860 20.963
22 HG SER 4 HG SER 4 62.850 2.291 22.168
23 H ASP 5 HN ASP 5 57.823 -0.119 23.286
24 HA ASP 5 HA ASP 5 56.795 -0.545 20.514
25 HB2 ASP 5 HB2 ASP 5 57.844 -2.434 21.823
26 HB3 ASP 5 HB3 ASP 5 56.504 -2.338 22.953
27 HA PRO 6 HA PRO 6 53.624 2.202 22.327
28 HB2 PRO 6 HB2 PRO 6 52.326 1.467 19.681
29 HB3 PRO 6 HB3 PRO 6 52.329 3.051 20.523
30 HG2 PRO 6 HG2 PRO 6 54.078 2.621 18.527
31 HG3 PRO 6 HG3 PRO 6 54.660 3.374 20.050
32 HD2 PRO 6 HD2 PRO 6 54.935 0.501 19.142
33 HD3 PRO 6 HD3 PRO 6 56.126 1.560 19.953
34 H ARG 7 HN ARG 7 53.005 -1.048 21.186
35 HA ARG 7 HA ARG 7 50.345 -1.218 22.521
36 HB2 ARG 7 HB2 ARG 7 51.826 -3.067 20.631
37 HB3 ARG 7 HB3 ARG 7 50.204 -3.355 21.257
38 HG2 ARG 7 HG2 ARG 7 49.299 -1.457 20.099
39 HG3 ARG 7 HG3 ARG 7 50.909 -0.866 19.647
40 HD2 ARG 7 HD2 ARG 7 51.246 -3.021 18.353
41 HD3 ARG 7 HD3 ARG 7 49.546 -3.382 18.657
42 HE ARG 7 HE ARG 7 48.900 -1.658 17.178
43 HH11 ARG 7 HH12 ARG 7 52.364 -1.266 17.673
44 HH12 ARG 7 HH11 ARG 7 52.519 -0.256 16.260
45 HH21 ARG 7 HH21 ARG 7 49.169 -0.607 15.381
46 HH22 ARG 7 HH22 ARG 7 50.721 0.090 14.941
47 H CYS 8 HN CYS 8 53.617 -1.995 23.312
48 HA CYS 8 HA CYS 8 52.663 -3.880 25.448
49 HB2 CYS 8 HB2 CYS 8 54.144 -4.666 23.458
50 HB3 CYS 8 HB3 CYS 8 55.432 -3.834 24.249
51 H ALA 9 HN ALA 9 54.113 -0.821 24.834
52 HA ALA 9 HA ALA 9 55.812 -0.639 26.969
53 HB1 ALA 9 HB1 ALA 9 55.730 0.964 25.108
54 HB2 ALA 9 HB2 ALA 9 55.590 1.839 26.634
55 HB3 ALA 9 HB3 ALA 9 54.142 1.554 25.648
56 H TRP 10 HN TRP 10 52.418 -0.897 27.239
57 HA TRP 10 HA TRP 10 51.942 0.295 29.795
58 HB2 TRP 10 HB2 TRP 10 50.013 -1.064 29.855
59 HB3 TRP 10 HB3 TRP 10 50.210 -0.543 28.195
60 HD1 TRP 10 HD1 TRP 10 50.427 -2.409 26.376
61 HE1 TRP 10 HE1 TRP 10 50.187 -4.970 26.380
62 HE3 TRP 10 HE3 TRP 10 50.546 -3.236 31.431
63 HZ2 TRP 10 HZ2 TRP 10 50.043 -7.093 28.315
64 HZ3 TRP 10 HZ3 TRP 10 50.342 -5.547 32.329
65 HH2 TRP 10 HH2 TRP 10 50.099 -7.477 30.783
66 H ARG 11 HN ARG 11 53.437 -2.815 28.904
67 HA ARG 11 HA ARG 11 53.085 -3.976 31.554
68 HB2 ARG 11 HB2 ARG 11 52.993 -5.157 29.276
69 HB3 ARG 11 HB3 ARG 11 54.753 -5.073 29.249
70 HG2 ARG 11 HG2 ARG 11 54.808 -6.377 31.403
71 HG3 ARG 11 HG3 ARG 11 53.038 -6.420 31.386
72 HD2 ARG 11 HD2 ARG 11 53.190 -7.602 29.133
73 HD3 ARG 11 HD3 ARG 11 54.941 -7.725 29.400
74 HE ARG 11 HE ARG 11 53.132 -8.771 31.517
75 HH11 ARG 11 HH11 ARG 11 55.133 -9.828 28.738
76 HH12 ARG 11 HH12 ARG 11 54.877 -11.488 29.252
77 HH21 ARG 11 HH22 ARG 11 53.282 -10.897 32.117
78 HH22 ARG 11 HH21 ARG 11 53.940 -12.038 30.955
79 H CYS 12 HN CYS 12 55.785 -2.574 29.831
80 HA CYS 12 HA CYS 12 57.625 -3.161 32.139
81 HB2 CYS 12 HB2 CYS 12 58.379 -2.914 29.223
82 HB3 CYS 12 HB3 CYS 12 59.387 -3.487 30.542
83 HN1 NH2 13 HN1 NH2 13 59.068 -1.531 32.873
84 HN2 NH2 13 HN2 NH2 13 59.069 0.083 32.201
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 64.278 -4.728 26.589
2 H2 GLY 1 HT2 GLY 1 63.821 -3.535 25.557
3 H3 GLY 1 HT3 GLY 1 63.393 -5.109 25.258
4 HA2 GLY 1 HA1 GLY 1 62.059 -5.160 27.267
5 HA3 GLY 1 HA2 GLY 1 62.449 -3.440 27.489
6 H1 81S 2 HN 81S 2 60.424 -2.617 27.253
7 H4 81S 2 HA 81S 2 58.931 -3.163 24.690
8 H5 81S 2 HB2 81S 2 57.824 -2.297 27.386
9 H6 81S 2 HB3 81S 2 56.920 -2.746 25.971
10 H7 81S 2 HG 81S 2 56.681 -4.470 27.516
11 H8 81S 2 HD2 81S 2 57.605 -4.876 24.938
12 H9 81S 2 HD3 81S 2 58.685 -5.894 25.835
13 H ALA 3 HN ALA 3 60.662 -0.683 26.100
14 HA ALA 3 HA ALA 3 58.822 1.424 26.258
15 HB1 ALA 3 HB1 ALA 3 61.013 1.317 27.397
16 HB2 ALA 3 HB2 ALA 3 60.776 2.850 26.549
17 HB3 ALA 3 HB3 ALA 3 61.832 1.607 25.849
18 H SER 4 HN SER 4 60.550 0.384 23.352
19 HA SER 4 HA SER 4 59.610 2.756 21.838
20 HB2 SER 4 HB2 SER 4 61.401 0.459 21.001
21 HB3 SER 4 HB3 SER 4 60.961 1.861 20.003
22 HG SER 4 HG SER 4 62.487 1.784 22.397
23 H ASP 5 HN ASP 5 58.075 0.002 22.743
24 HA ASP 5 HA ASP 5 56.349 -0.064 20.293
25 HB2 ASP 5 HB2 ASP 5 57.540 -2.133 20.413
26 HB3 ASP 5 HB3 ASP 5 57.187 -2.320 22.137
27 HA PRO 6 HA PRO 6 53.974 1.812 23.766
28 HB2 PRO 6 HB2 PRO 6 52.177 2.307 21.395
29 HB3 PRO 6 HB3 PRO 6 52.533 3.382 22.787
30 HG2 PRO 6 HG2 PRO 6 53.777 3.787 20.428
31 HG3 PRO 6 HG3 PRO 6 54.721 3.856 21.952
32 HD2 PRO 6 HD2 PRO 6 54.508 1.582 19.966
33 HD3 PRO 6 HD3 PRO 6 55.950 2.221 20.813
34 H ARG 7 HN ARG 7 52.917 -0.589 21.414
35 HA ARG 7 HA ARG 7 50.471 -1.403 22.724
36 HB2 ARG 7 HB2 ARG 7 52.273 -2.742 20.678
37 HB3 ARG 7 HB3 ARG 7 50.774 -3.463 21.278
38 HG2 ARG 7 HG2 ARG 7 49.486 -1.489 20.508
39 HG3 ARG 7 HG3 ARG 7 50.970 -0.767 19.859
40 HD2 ARG 7 HD2 ARG 7 51.260 -2.708 18.346
41 HD3 ARG 7 HD3 ARG 7 49.817 -3.462 19.021
42 HE ARG 7 HE ARG 7 48.423 -1.884 17.922
43 HH11 ARG 7 HH11 ARG 7 51.767 -1.088 17.202
44 HH12 ARG 7 HH12 ARG 7 51.311 -0.212 15.764
45 HH21 ARG 7 HH22 ARG 7 47.924 -0.800 16.216
46 HH22 ARG 7 HH21 ARG 7 49.133 -0.023 15.192
47 H CYS 8 HN CYS 8 53.804 -2.115 23.592
48 HA CYS 8 HA CYS 8 52.635 -3.823 25.769
49 HB2 CYS 8 HB2 CYS 8 54.194 -4.978 24.083
50 HB3 CYS 8 HB3 CYS 8 55.475 -4.012 24.757
51 H ALA 9 HN ALA 9 54.377 -0.884 25.058
52 HA ALA 9 HA ALA 9 56.135 -0.730 27.107
53 HB1 ALA 9 HB1 ALA 9 55.869 0.931 25.277
54 HB2 ALA 9 HB2 ALA 9 55.990 1.726 26.854
55 HB3 ALA 9 HB3 ALA 9 54.406 1.568 26.070
56 H TRP 10 HN TRP 10 52.677 -0.118 27.458
57 HA TRP 10 HA TRP 10 52.500 0.831 30.123
58 HB2 TRP 10 HB2 TRP 10 50.174 0.068 29.922
59 HB3 TRP 10 HB3 TRP 10 50.695 0.917 28.478
60 HD1 TRP 10 HD1 TRP 10 50.724 -0.399 26.210
61 HE1 TRP 10 HE1 TRP 10 50.014 -2.764 25.461
62 HE3 TRP 10 HE3 TRP 10 49.754 -2.456 30.791
63 HZ2 TRP 10 HZ2 TRP 10 48.981 -5.156 26.677
64 HZ3 TRP 10 HZ3 TRP 10 48.887 -4.780 30.967
65 HH2 TRP 10 HH2 TRP 10 48.486 -6.128 28.927
66 H ARG 11 HN ARG 11 53.109 -2.461 28.975
67 HA ARG 11 HA ARG 11 52.448 -3.804 31.492
68 HB2 ARG 11 HB2 ARG 11 52.437 -4.806 29.128
69 HB3 ARG 11 HB3 ARG 11 54.207 -4.833 29.236
70 HG2 ARG 11 HG2 ARG 11 54.024 -6.226 31.306
71 HG3 ARG 11 HG3 ARG 11 52.264 -6.199 31.140
72 HD2 ARG 11 HD2 ARG 11 54.190 -7.360 29.083
73 HD3 ARG 11 HD3 ARG 11 53.395 -8.306 30.336
74 HE ARG 11 HE ARG 11 52.247 -7.459 27.827
75 HH11 ARG 11 HH12 ARG 11 51.255 -8.236 31.130
76 HH12 ARG 11 HH11 ARG 11 49.735 -8.873 30.563
77 HH21 ARG 11 HH22 ARG 11 50.400 -8.242 27.244
78 HH22 ARG 11 HH21 ARG 11 49.198 -8.816 28.398
79 H CYS 12 HN CYS 12 55.220 -2.211 30.150
80 HA CYS 12 HA CYS 12 56.949 -3.009 32.461
81 HB2 CYS 12 HB2 CYS 12 57.716 -2.300 29.614
82 HB3 CYS 12 HB3 CYS 12 58.838 -2.731 30.903
83 HN1 NH2 13 HN1 NH2 13 55.185 -0.849 32.889
84 HN2 NH2 13 HN2 NH2 13 56.107 0.631 32.866
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 64.238 -3.790 27.027
2 H2 GLY 1 HT2 GLY 1 63.543 -2.732 25.957
3 H3 GLY 1 HT3 GLY 1 63.447 -4.368 25.713
4 HA2 GLY 1 HA1 GLY 1 62.096 -4.661 27.644
5 HA3 GLY 1 HA2 GLY 1 62.200 -2.905 27.930
6 H1 81S 2 HN 81S 2 60.195 -2.135 27.505
7 H4 81S 2 HA 81S 2 59.004 -2.725 24.807
8 H5 81S 2 HB2 81S 2 57.476 -2.338 27.407
9 H6 81S 2 HB3 81S 2 56.798 -2.662 25.850
10 H7 81S 2 HG 81S 2 56.581 -4.601 27.130
11 H8 81S 2 HD2 81S 2 57.732 -4.460 24.592
12 H9 81S 2 HD3 81S 2 58.795 -5.568 25.416
13 H ALA 3 HN ALA 3 60.210 -0.226 26.652
14 HA ALA 3 HA ALA 3 58.360 1.834 26.573
15 HB1 ALA 3 HB1 ALA 3 60.329 3.358 26.539
16 HB2 ALA 3 HB2 ALA 3 61.369 1.989 26.085
17 HB3 ALA 3 HB3 ALA 3 60.533 2.005 27.657
18 H SER 4 HN SER 4 60.374 0.789 23.828
19 HA SER 4 HA SER 4 59.089 2.741 21.992
20 HB2 SER 4 HB2 SER 4 61.460 0.937 21.460
21 HB3 SER 4 HB3 SER 4 60.858 2.254 20.445
22 HG SER 4 HG SER 4 62.538 3.087 21.521
23 H ASP 5 HN ASP 5 57.886 0.103 23.072
24 HA ASP 5 HA ASP 5 56.902 -0.957 20.452
25 HB2 ASP 5 HB2 ASP 5 58.079 -2.631 21.833
26 HB3 ASP 5 HB3 ASP 5 56.960 -2.343 23.156
27 HA PRO 6 HA PRO 6 53.990 2.036 22.206
28 HB2 PRO 6 HB2 PRO 6 52.574 1.500 19.593
29 HB3 PRO 6 HB3 PRO 6 52.852 3.063 20.419
30 HG2 PRO 6 HG2 PRO 6 54.458 2.317 18.367
31 HG3 PRO 6 HG3 PRO 6 55.173 3.046 19.840
32 HD2 PRO 6 HD2 PRO 6 55.046 0.137 19.038
33 HD3 PRO 6 HD3 PRO 6 56.377 1.067 19.773
34 H ARG 7 HN ARG 7 53.018 -1.183 21.253
35 HA ARG 7 HA ARG 7 50.556 -0.961 22.962
36 HB2 ARG 7 HB2 ARG 7 51.061 -2.899 20.684
37 HB3 ARG 7 HB3 ARG 7 49.598 -2.805 21.648
38 HG2 ARG 7 HG2 ARG 7 50.550 -0.561 19.812
39 HG3 ARG 7 HG3 ARG 7 49.431 -1.835 19.357
40 HD2 ARG 7 HD2 ARG 7 48.144 0.111 19.874
41 HD3 ARG 7 HD3 ARG 7 47.844 -1.118 21.108
42 HE ARG 7 HE ARG 7 49.935 0.893 21.721
43 HH11 ARG 7 HH12 ARG 7 46.547 0.135 22.274
44 HH12 ARG 7 HH11 ARG 7 46.625 0.849 23.886
45 HH21 ARG 7 HH22 ARG 7 49.895 1.802 23.642
46 HH22 ARG 7 HH21 ARG 7 48.407 1.885 24.570
47 H CYS 8 HN CYS 8 53.600 -1.889 23.457
48 HA CYS 8 HA CYS 8 52.625 -3.918 25.448
49 HB2 CYS 8 HB2 CYS 8 54.213 -4.709 23.550
50 HB3 CYS 8 HB3 CYS 8 55.442 -3.772 24.367
51 H ALA 9 HN ALA 9 54.198 -0.836 24.933
52 HA ALA 9 HA ALA 9 55.922 -0.734 27.027
53 HB1 ALA 9 HB1 ALA 9 55.573 1.001 25.230
54 HB2 ALA 9 HB2 ALA 9 55.741 1.692 26.850
55 HB3 ALA 9 HB3 ALA 9 54.142 1.574 26.101
56 H TRP 10 HN TRP 10 52.425 -0.035 27.345
57 HA TRP 10 HA TRP 10 52.131 0.668 30.004
58 HB2 TRP 10 HB2 TRP 10 49.948 -0.420 29.862
59 HB3 TRP 10 HB3 TRP 10 50.303 0.428 28.375
60 HD1 TRP 10 HD1 TRP 10 50.616 -1.009 26.168
61 HE1 TRP 10 HE1 TRP 10 50.010 -3.415 25.521
62 HE3 TRP 10 HE3 TRP 10 49.714 -2.895 30.844
63 HZ2 TRP 10 HZ2 TRP 10 49.116 -5.816 26.851
64 HZ3 TRP 10 HZ3 TRP 10 48.955 -5.244 31.120
65 HH2 TRP 10 HH2 TRP 10 48.653 -6.710 29.139
66 H ARG 11 HN ARG 11 52.921 -2.601 28.833
67 HA ARG 11 HA ARG 11 52.354 -3.951 31.342
68 HB2 ARG 11 HB2 ARG 11 52.221 -4.876 28.947
69 HB3 ARG 11 HB3 ARG 11 53.986 -4.994 28.992
70 HG2 ARG 11 HG2 ARG 11 53.814 -6.495 30.978
71 HG3 ARG 11 HG3 ARG 11 52.049 -6.330 30.937
72 HD2 ARG 11 HD2 ARG 11 52.024 -7.364 28.672
73 HD3 ARG 11 HD3 ARG 11 53.792 -7.530 28.744
74 HE ARG 11 HE ARG 11 52.262 -8.738 30.979
75 HH11 ARG 11 HH11 ARG 11 53.894 -9.531 27.919
76 HH12 ARG 11 HH12 ARG 11 53.998 -11.207 28.398
77 HH21 ARG 11 HH21 ARG 11 52.466 -10.738 31.434
78 HH22 ARG 11 HH22 ARG 11 53.313 -11.880 30.396
79 H CYS 12 HN CYS 12 55.146 -2.300 30.096
80 HA CYS 12 HA CYS 12 56.850 -3.484 32.278
81 HB2 CYS 12 HB2 CYS 12 57.698 -2.524 29.542
82 HB3 CYS 12 HB3 CYS 12 58.760 -3.175 30.785
83 HN1 NH2 13 HN1 NH2 13 58.709 -2.135 32.983
84 HN2 NH2 13 HN2 NH2 13 58.487 -0.391 33.060
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 63.227 -4.940 26.228
2 H2 GLY 1 HT2 GLY 1 63.955 -4.419 27.610
3 H3 GLY 1 HT3 GLY 1 63.715 -3.368 26.355
4 HA2 GLY 1 HA1 GLY 1 61.623 -4.650 27.972
5 HA3 GLY 1 HA2 GLY 1 62.108 -2.940 28.057
6 H1 81S 2 HN 81S 2 60.004 -2.268 27.508
7 H4 81S 2 HA 81S 2 59.036 -2.887 24.720
8 H5 81S 2 HB2 81S 2 57.432 -2.537 27.281
9 H6 81S 2 HB3 81S 2 56.788 -2.848 25.703
10 H7 81S 2 HG 81S 2 56.591 -4.885 26.853
11 H8 81S 2 HD2 81S 2 58.931 -4.924 24.929
12 H9 81S 2 HD3 81S 2 58.568 -6.344 25.828
13 H ALA 3 HN ALA 3 60.093 -0.359 26.553
14 HA ALA 3 HA ALA 3 58.287 1.742 26.226
15 HB1 ALA 3 HB1 ALA 3 61.337 1.800 26.171
16 HB2 ALA 3 HB2 ALA 3 60.310 1.804 27.625
17 HB3 ALA 3 HB3 ALA 3 60.280 3.188 26.518
18 H SER 4 HN SER 4 60.500 0.477 23.738
19 HA SER 4 HA SER 4 59.920 2.616 21.815
20 HB2 SER 4 HB2 SER 4 61.385 -0.021 21.470
21 HB3 SER 4 HB3 SER 4 61.318 1.296 20.297
22 HG SER 4 HG SER 4 63.206 1.342 21.430
23 H ASP 5 HN ASP 5 57.961 0.074 22.821
24 HA ASP 5 HA ASP 5 56.830 -0.381 20.092
25 HB2 ASP 5 HB2 ASP 5 57.885 -2.342 21.075
26 HB3 ASP 5 HB3 ASP 5 56.838 -2.205 22.482
27 HA PRO 6 HA PRO 6 53.554 2.070 21.867
28 HB2 PRO 6 HB2 PRO 6 52.079 0.994 19.447
29 HB3 PRO 6 HB3 PRO 6 52.084 2.660 20.108
30 HG2 PRO 6 HG2 PRO 6 53.650 2.067 17.993
31 HG3 PRO 6 HG3 PRO 6 54.331 3.023 19.350
32 HD2 PRO 6 HD2 PRO 6 54.650 0.067 18.788
33 HD3 PRO 6 HD3 PRO 6 55.874 1.279 19.284
34 H ARG 7 HN ARG 7 53.240 -1.444 21.580
35 HA ARG 7 HA ARG 7 50.478 -1.307 22.766
36 HB2 ARG 7 HB2 ARG 7 51.512 -3.264 20.679
37 HB3 ARG 7 HB3 ARG 7 49.950 -3.356 21.479
38 HG2 ARG 7 HG2 ARG 7 50.891 -1.244 19.519
39 HG3 ARG 7 HG3 ARG 7 49.633 -2.445 19.315
40 HD2 ARG 7 HD2 ARG 7 49.571 0.055 21.022
41 HD3 ARG 7 HD3 ARG 7 48.564 -0.315 19.643
42 HE ARG 7 HE ARG 7 48.074 -0.983 22.386
43 HH11 ARG 7 HH12 ARG 7 47.375 -2.228 19.152
44 HH12 ARG 7 HH11 ARG 7 46.075 -3.231 19.780
45 HH21 ARG 7 HH22 ARG 7 46.400 -2.284 23.025
46 HH22 ARG 7 HH21 ARG 7 45.519 -3.216 21.824
47 H CYS 8 HN CYS 8 53.596 -2.179 23.411
48 HA CYS 8 HA CYS 8 52.546 -3.884 25.626
49 HB2 CYS 8 HB2 CYS 8 54.583 -5.112 25.608
50 HB3 CYS 8 HB3 CYS 8 53.670 -5.353 24.140
51 H ALA 9 HN ALA 9 54.267 -0.958 24.924
52 HA ALA 9 HA ALA 9 55.866 -0.637 27.187
53 HB1 ALA 9 HB1 ALA 9 55.661 0.959 25.306
54 HB2 ALA 9 HB2 ALA 9 55.421 1.766 26.864
55 HB3 ALA 9 HB3 ALA 9 54.021 1.387 25.834
56 H TRP 10 HN TRP 10 52.289 -0.523 27.093
57 HA TRP 10 HA TRP 10 51.668 0.503 29.611
58 HB2 TRP 10 HB2 TRP 10 49.621 -0.659 29.435
59 HB3 TRP 10 HB3 TRP 10 50.079 -0.205 27.808
60 HD1 TRP 10 HD1 TRP 10 50.521 -2.177 26.091
61 HE1 TRP 10 HE1 TRP 10 50.150 -4.724 26.130
62 HE3 TRP 10 HE3 TRP 10 49.620 -2.780 31.086
63 HZ2 TRP 10 HZ2 TRP 10 49.493 -6.747 28.083
64 HZ3 TRP 10 HZ3 TRP 10 49.117 -5.032 32.011
65 HH2 TRP 10 HH2 TRP 10 49.042 -7.015 30.519
66 H ARG 11 HN ARG 11 52.978 -2.703 28.890
67 HA ARG 11 HA ARG 11 52.324 -3.860 31.493
68 HB2 ARG 11 HB2 ARG 11 52.271 -4.933 29.165
69 HB3 ARG 11 HB3 ARG 11 54.025 -4.997 29.241
70 HG2 ARG 11 HG2 ARG 11 53.913 -6.509 31.179
71 HG3 ARG 11 HG3 ARG 11 52.141 -6.334 31.251
72 HD2 ARG 11 HD2 ARG 11 51.917 -7.313 29.022
73 HD3 ARG 11 HD3 ARG 11 53.678 -7.349 28.831
74 HE ARG 11 HE ARG 11 52.863 -8.897 31.137
75 HH11 ARG 11 HH12 ARG 11 52.906 -9.036 27.603
76 HH12 ARG 11 HH11 ARG 11 53.229 -10.768 27.620
77 HH21 ARG 11 HH22 ARG 11 53.101 -11.199 30.951
78 HH22 ARG 11 HH21 ARG 11 53.305 -11.875 29.338
79 H CYS 12 HN CYS 12 55.043 -2.188 30.228
80 HA CYS 12 HA CYS 12 56.895 -3.399 32.265
81 HB2 CYS 12 HB2 CYS 12 57.433 -2.380 29.464
82 HB3 CYS 12 HB3 CYS 12 58.643 -3.036 30.566
83 HN1 NH2 13 HN1 NH2 13 55.802 -0.255 30.930
84 HN2 NH2 13 HN2 NH2 13 56.811 0.689 32.003
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 63.146 -7.168 26.177
2 H2 GLY 1 HT2 GLY 1 62.849 -6.821 24.602
3 H3 GLY 1 HT3 GLY 1 61.657 -7.449 25.550
4 HA2 GLY 1 HA1 GLY 1 61.633 -5.492 26.921
5 HA3 GLY 1 HA2 GLY 1 62.893 -4.789 25.892
6 H1 81S 2 HN 81S 2 60.179 -3.921 26.533
7 H4 81S 2 HA 81S 2 59.040 -3.573 23.749
8 H5 81S 2 HB2 81S 2 57.439 -3.501 26.280
9 H6 81S 2 HB3 81S 2 56.835 -3.585 24.666
10 H7 81S 2 HG 81S 2 56.268 -5.612 25.689
11 H8 81S 2 HD2 81S 2 58.401 -5.632 23.624
12 H9 81S 2 HD3 81S 2 58.158 -7.160 24.429
13 H ALA 3 HN ALA 3 60.652 -1.977 25.905
14 HA ALA 3 HA ALA 3 59.151 -0.112 27.248
15 HB1 ALA 3 HB1 ALA 3 62.006 0.241 26.244
16 HB2 ALA 3 HB2 ALA 3 61.516 -0.698 27.673
17 HB3 ALA 3 HB3 ALA 3 61.266 1.052 27.640
18 H SER 4 HN SER 4 59.886 0.194 23.840
19 HA SER 4 HA SER 4 58.593 2.895 23.815
20 HB2 SER 4 HB2 SER 4 60.912 1.929 22.093
21 HB3 SER 4 HB3 SER 4 59.997 3.430 21.836
22 HG SER 4 HG SER 4 61.808 2.796 23.893
23 H ASP 5 HN ASP 5 57.749 -0.148 23.260
24 HA ASP 5 HA ASP 5 56.906 -0.021 20.494
25 HB2 ASP 5 HB2 ASP 5 57.714 -2.059 21.711
26 HB3 ASP 5 HB3 ASP 5 56.210 -2.072 22.603
27 HA PRO 6 HA PRO 6 53.091 2.104 21.372
28 HB2 PRO 6 HB2 PRO 6 52.145 0.756 18.840
29 HB3 PRO 6 HB3 PRO 6 51.950 2.465 19.336
30 HG2 PRO 6 HG2 PRO 6 53.878 1.794 17.572
31 HG3 PRO 6 HG3 PRO 6 54.254 2.923 18.915
32 HD2 PRO 6 HD2 PRO 6 54.849 -0.044 18.722
33 HD3 PRO 6 HD3 PRO 6 55.893 1.296 19.281
34 H ARG 7 HN ARG 7 53.076 -1.421 21.188
35 HA ARG 7 HA ARG 7 50.253 -1.490 22.236
36 HB2 ARG 7 HB2 ARG 7 51.571 -3.308 20.195
37 HB3 ARG 7 HB3 ARG 7 50.043 -3.667 20.989
38 HG2 ARG 7 HG2 ARG 7 50.555 -1.233 19.237
39 HG3 ARG 7 HG3 ARG 7 49.768 -2.707 18.704
40 HD2 ARG 7 HD2 ARG 7 48.710 -0.875 20.904
41 HD3 ARG 7 HD3 ARG 7 48.205 -0.857 19.232
42 HE ARG 7 HE ARG 7 47.841 -3.259 21.015
43 HH11 ARG 7 HH12 ARG 7 46.439 -1.118 18.593
44 HH12 ARG 7 HH11 ARG 7 44.973 -2.068 18.513
45 HH21 ARG 7 HH22 ARG 7 45.998 -4.307 20.922
46 HH22 ARG 7 HH21 ARG 7 44.717 -3.855 19.807
47 H CYS 8 HN CYS 8 53.424 -2.158 23.020
48 HA CYS 8 HA CYS 8 52.450 -3.933 25.185
49 HB2 CYS 8 HB2 CYS 8 54.293 -5.438 24.878
50 HB3 CYS 8 HB3 CYS 8 53.139 -5.481 23.577
51 H ALA 9 HN ALA 9 53.749 -1.021 24.852
52 HA ALA 9 HA ALA 9 55.845 -1.278 26.901
53 HB1 ALA 9 HB1 ALA 9 54.591 1.207 25.676
54 HB2 ALA 9 HB2 ALA 9 55.982 0.348 24.985
55 HB3 ALA 9 HB3 ALA 9 56.126 1.103 26.573
56 H TRP 10 HN TRP 10 52.527 -1.439 27.199
57 HA TRP 10 HA TRP 10 51.995 0.455 29.214
58 HB2 TRP 10 HB2 TRP 10 50.046 -1.114 29.765
59 HB3 TRP 10 HB3 TRP 10 50.134 -0.328 28.209
60 HD1 TRP 10 HD1 TRP 10 50.501 -1.782 26.054
61 HE1 TRP 10 HE1 TRP 10 49.997 -4.218 25.511
62 HE3 TRP 10 HE3 TRP 10 50.025 -3.553 30.829
63 HZ2 TRP 10 HZ2 TRP 10 49.357 -6.642 26.974
64 HZ3 TRP 10 HZ3 TRP 10 49.452 -5.936 31.224
65 HH2 TRP 10 HH2 TRP 10 49.128 -7.482 29.315
66 H ARG 11 HN ARG 11 52.912 -3.015 29.780
67 HA ARG 11 HA ARG 11 53.493 -2.264 32.627
68 HB2 ARG 11 HB2 ARG 11 52.723 -4.783 31.216
69 HB3 ARG 11 HB3 ARG 11 53.882 -4.971 32.525
70 HG2 ARG 11 HG2 ARG 11 51.250 -3.485 32.856
71 HG3 ARG 11 HG3 ARG 11 51.441 -5.220 33.138
72 HD2 ARG 11 HD2 ARG 11 53.128 -4.787 34.883
73 HD3 ARG 11 HD3 ARG 11 52.976 -3.038 34.617
74 HE ARG 11 HE ARG 11 50.385 -4.108 35.090
75 HH11 ARG 11 HH12 ARG 11 53.286 -3.704 37.079
76 HH12 ARG 11 HH11 ARG 11 52.319 -3.946 38.541
77 HH21 ARG 11 HH22 ARG 11 49.346 -3.655 36.892
78 HH22 ARG 11 HH21 ARG 11 50.170 -3.625 38.433
79 H CYS 12 HN CYS 12 55.210 -3.323 29.705
80 HA CYS 12 HA CYS 12 57.623 -4.020 31.094
81 HB2 CYS 12 HB2 CYS 12 57.220 -3.136 28.253
82 HB3 CYS 12 HB3 CYS 12 58.690 -3.873 28.888
83 HN1 NH2 13 HN1 NH2 13 59.603 -2.905 31.397
84 HN2 NH2 13 HN2 NH2 13 59.712 -1.152 31.255
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 63.539 -5.623 27.359
2 H2 GLY 1 HT2 GLY 1 63.485 -4.872 25.895
3 H3 GLY 1 HT3 GLY 1 62.348 -6.004 26.291
4 HA2 GLY 1 HA1 GLY 1 61.511 -4.601 28.059
5 HA3 GLY 1 HA2 GLY 1 62.703 -3.372 27.569
6 H1 81S 2 HN 81S 2 59.801 -3.065 27.593
7 H4 81S 2 HA 81S 2 59.034 -3.218 24.692
8 H5 81S 2 HB2 81S 2 57.231 -3.118 27.140
9 H6 81S 2 HB3 81S 2 56.741 -3.300 25.495
10 H7 81S 2 HG 81S 2 56.494 -5.405 26.594
11 H8 81S 2 HD2 81S 2 58.573 -5.204 24.426
12 H9 81S 2 HD3 81S 2 58.394 -6.711 25.242
13 H ALA 3 HN ALA 3 59.956 -0.925 26.836
14 HA ALA 3 HA ALA 3 58.412 1.274 26.900
15 HB1 ALA 3 HB1 ALA 3 61.370 1.193 26.134
16 HB2 ALA 3 HB2 ALA 3 60.736 1.059 27.780
17 HB3 ALA 3 HB3 ALA 3 60.523 2.568 26.880
18 H SER 4 HN SER 4 60.190 0.303 23.956
19 HA SER 4 HA SER 4 59.356 2.747 22.510
20 HB2 SER 4 HB2 SER 4 61.247 0.527 21.688
21 HB3 SER 4 HB3 SER 4 61.057 2.108 20.913
22 HG SER 4 HG SER 4 61.998 3.095 22.599
23 H ASP 5 HN ASP 5 57.768 -0.068 23.001
24 HA ASP 5 HA ASP 5 57.047 -0.584 20.174
25 HB2 ASP 5 HB2 ASP 5 57.935 -2.418 21.506
26 HB3 ASP 5 HB3 ASP 5 56.602 -2.254 22.641
27 HA PRO 6 HA PRO 6 53.305 1.780 20.808
28 HB2 PRO 6 HB2 PRO 6 52.340 -0.041 18.584
29 HB3 PRO 6 HB3 PRO 6 52.076 1.723 18.779
30 HG2 PRO 6 HG2 PRO 6 54.032 0.851 17.144
31 HG3 PRO 6 HG3 PRO 6 54.369 2.191 18.289
32 HD2 PRO 6 HD2 PRO 6 55.095 -0.737 18.540
33 HD3 PRO 6 HD3 PRO 6 56.047 0.728 18.952
34 H ARG 7 HN ARG 7 53.179 -1.724 21.306
35 HA ARG 7 HA ARG 7 50.400 -1.445 22.394
36 HB2 ARG 7 HB2 ARG 7 51.107 -2.725 19.924
37 HB3 ARG 7 HB3 ARG 7 50.690 -3.995 21.071
38 HG2 ARG 7 HG2 ARG 7 48.540 -2.868 21.558
39 HG3 ARG 7 HG3 ARG 7 48.960 -1.557 20.440
40 HD2 ARG 7 HD2 ARG 7 48.996 -3.127 18.562
41 HD3 ARG 7 HD3 ARG 7 48.722 -4.488 19.650
42 HE ARG 7 HE ARG 7 46.460 -3.812 19.999
43 HH11 ARG 7 HH12 ARG 7 47.988 -1.502 17.799
44 HH12 ARG 7 HH11 ARG 7 46.474 -1.130 17.039
45 HH21 ARG 7 HH21 ARG 7 44.573 -3.305 18.899
46 HH22 ARG 7 HH22 ARG 7 44.584 -1.926 17.830
47 H CYS 8 HN CYS 8 53.369 -2.094 23.355
48 HA CYS 8 HA CYS 8 52.311 -3.721 25.587
49 HB2 CYS 8 HB2 CYS 8 54.268 -5.176 25.561
50 HB3 CYS 8 HB3 CYS 8 53.226 -5.406 24.179
51 H ALA 9 HN ALA 9 53.893 -0.871 24.859
52 HA ALA 9 HA ALA 9 55.974 -0.812 26.832
53 HB1 ALA 9 HB1 ALA 9 55.733 0.792 24.931
54 HB2 ALA 9 HB2 ALA 9 55.886 1.598 26.501
55 HB3 ALA 9 HB3 ALA 9 54.300 1.477 25.724
56 H TRP 10 HN TRP 10 52.466 -0.327 27.080
57 HA TRP 10 HA TRP 10 52.259 0.665 29.720
58 HB2 TRP 10 HB2 TRP 10 50.048 -0.404 29.740
59 HB3 TRP 10 HB3 TRP 10 50.348 0.538 28.291
60 HD1 TRP 10 HD1 TRP 10 50.026 -0.621 26.035
61 HE1 TRP 10 HE1 TRP 10 49.381 -2.974 25.230
62 HE3 TRP 10 HE3 TRP 10 50.243 -3.126 30.515
63 HZ2 TRP 10 HZ2 TRP 10 49.228 -5.623 26.326
64 HZ3 TRP 10 HZ3 TRP 10 49.885 -5.575 30.589
65 HH2 TRP 10 HH2 TRP 10 49.419 -6.846 28.501
66 H ARG 11 HN ARG 11 53.157 -2.621 28.727
67 HA ARG 11 HA ARG 11 52.713 -3.803 31.360
68 HB2 ARG 11 HB2 ARG 11 52.718 -5.000 29.092
69 HB3 ARG 11 HB3 ARG 11 54.462 -4.876 29.110
70 HG2 ARG 11 HG2 ARG 11 52.660 -6.498 30.938
71 HG3 ARG 11 HG3 ARG 11 53.887 -7.059 29.811
72 HD2 ARG 11 HD2 ARG 11 55.561 -5.765 31.368
73 HD3 ARG 11 HD3 ARG 11 54.263 -5.832 32.557
74 HE ARG 11 HE ARG 11 55.948 -8.016 31.518
75 HH11 ARG 11 HH11 ARG 11 53.076 -7.425 33.531
76 HH12 ARG 11 HH12 ARG 11 53.542 -8.757 34.572
77 HH21 ARG 11 HH22 ARG 11 56.243 -9.703 32.702
78 HH22 ARG 11 HH21 ARG 11 55.052 -10.229 33.885
79 H CYS 12 HN CYS 12 55.668 -3.009 29.545
80 HA CYS 12 HA CYS 12 57.270 -3.649 31.923
81 HB2 CYS 12 HB2 CYS 12 58.133 -3.025 29.096
82 HB3 CYS 12 HB3 CYS 12 59.097 -3.804 30.342
83 HN1 NH2 13 HN1 NH2 13 56.448 -0.643 30.219
84 HN2 NH2 13 HN2 NH2 13 57.621 0.341 31.070
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 63.024 -6.456 26.485
2 H2 GLY 1 HT2 GLY 1 62.670 -6.000 24.944
3 H3 GLY 1 HT3 GLY 1 61.542 -6.791 25.847
4 HA2 GLY 1 HA1 GLY 1 61.416 -4.936 27.382
5 HA3 GLY 1 HA2 GLY 1 62.647 -4.111 26.406
6 H1 81S 2 HN 81S 2 59.945 -3.232 27.024
7 H4 81S 2 HA 81S 2 58.641 -3.250 24.308
8 H5 81S 2 HB2 81S 2 57.264 -3.098 27.007
9 H6 81S 2 HB3 81S 2 56.524 -3.258 25.451
10 H7 81S 2 HG 81S 2 56.274 -5.340 26.530
11 H8 81S 2 HD2 81S 2 58.320 -5.376 24.326
12 H9 81S 2 HD3 81S 2 58.050 -6.831 25.233
13 H ALA 3 HN ALA 3 60.149 -1.172 26.453
14 HA ALA 3 HA ALA 3 58.529 0.930 26.997
15 HB1 ALA 3 HB1 ALA 3 60.592 2.280 27.117
16 HB2 ALA 3 HB2 ALA 3 61.449 1.073 26.134
17 HB3 ALA 3 HB3 ALA 3 60.854 0.647 27.757
18 H SER 4 HN SER 4 60.104 0.546 23.785
19 HA SER 4 HA SER 4 58.570 2.914 22.772
20 HB2 SER 4 HB2 SER 4 61.155 1.656 21.826
21 HB3 SER 4 HB3 SER 4 60.262 2.911 20.936
22 HG SER 4 HG SER 4 61.812 3.850 22.170
23 H ASP 5 HN ASP 5 57.785 -0.069 23.091
24 HA ASP 5 HA ASP 5 57.296 -0.874 20.320
25 HB2 ASP 5 HB2 ASP 5 58.067 -2.452 22.092
26 HB3 ASP 5 HB3 ASP 5 56.484 -2.284 22.859
27 HA PRO 6 HA PRO 6 53.317 1.228 20.305
28 HB2 PRO 6 HB2 PRO 6 52.855 -0.821 18.120
29 HB3 PRO 6 HB3 PRO 6 52.381 0.908 18.149
30 HG2 PRO 6 HG2 PRO 6 54.616 0.183 16.835
31 HG3 PRO 6 HG3 PRO 6 54.676 1.607 17.931
32 HD2 PRO 6 HD2 PRO 6 55.615 -1.224 18.465
33 HD3 PRO 6 HD3 PRO 6 56.391 0.342 18.879
34 H ARG 7 HN ARG 7 53.573 -2.234 20.987
35 HA ARG 7 HA ARG 7 50.612 -2.543 21.293
36 HB2 ARG 7 HB2 ARG 7 52.936 -4.512 21.306
37 HB3 ARG 7 HB3 ARG 7 51.252 -4.954 21.405
38 HG2 ARG 7 HG2 ARG 7 52.455 -3.496 19.003
39 HG3 ARG 7 HG3 ARG 7 52.401 -5.245 19.155
40 HD2 ARG 7 HD2 ARG 7 49.950 -3.442 19.114
41 HD3 ARG 7 HD3 ARG 7 50.582 -4.373 17.745
42 HE ARG 7 HE ARG 7 50.015 -5.934 20.181
43 HH11 ARG 7 HH11 ARG 7 48.639 -5.079 17.031
44 HH12 ARG 7 HH12 ARG 7 47.493 -6.395 17.158
45 HH21 ARG 7 HH22 ARG 7 48.658 -7.432 20.233
46 HH22 ARG 7 HH21 ARG 7 47.306 -7.541 19.115
47 H CYS 8 HN CYS 8 53.526 -2.461 23.198
48 HA CYS 8 HA CYS 8 52.130 -3.585 25.603
49 HB2 CYS 8 HB2 CYS 8 54.180 -5.046 25.754
50 HB3 CYS 8 HB3 CYS 8 53.039 -5.423 24.482
51 H ALA 9 HN ALA 9 53.983 -0.914 24.750
52 HA ALA 9 HA ALA 9 55.972 -0.765 26.708
53 HB1 ALA 9 HB1 ALA 9 55.611 0.798 24.777
54 HB2 ALA 9 HB2 ALA 9 55.826 1.657 26.317
55 HB3 ALA 9 HB3 ALA 9 54.201 1.477 25.623
56 H TRP 10 HN TRP 10 52.529 -0.138 27.199
57 HA TRP 10 HA TRP 10 52.543 0.996 29.801
58 HB2 TRP 10 HB2 TRP 10 50.230 0.104 29.843
59 HB3 TRP 10 HB3 TRP 10 50.603 0.948 28.351
60 HD1 TRP 10 HD1 TRP 10 50.418 -0.398 26.105
61 HE1 TRP 10 HE1 TRP 10 49.705 -2.771 25.459
62 HE3 TRP 10 HE3 TRP 10 50.075 -2.428 30.798
63 HZ2 TRP 10 HZ2 TRP 10 49.049 -5.242 26.822
64 HZ3 TRP 10 HZ3 TRP 10 49.384 -4.787 31.093
65 HH2 TRP 10 HH2 TRP 10 48.889 -6.211 29.122
66 H ARG 11 HN ARG 11 53.241 -2.320 28.828
67 HA ARG 11 HA ARG 11 52.607 -3.455 31.464
68 HB2 ARG 11 HB2 ARG 11 52.199 -4.481 29.116
69 HB3 ARG 11 HB3 ARG 11 53.901 -4.910 29.116
70 HG2 ARG 11 HG2 ARG 11 52.159 -5.649 31.488
71 HG3 ARG 11 HG3 ARG 11 51.983 -6.545 29.991
72 HD2 ARG 11 HD2 ARG 11 54.152 -7.433 30.056
73 HD3 ARG 11 HD3 ARG 11 54.734 -6.270 31.229
74 HE ARG 11 HE ARG 11 53.140 -8.696 31.776
75 HH11 ARG 11 HH12 ARG 11 54.251 -5.670 33.257
76 HH12 ARG 11 HH11 ARG 11 54.015 -6.365 34.861
77 HH21 ARG 11 HH22 ARG 11 52.921 -9.374 33.824
78 HH22 ARG 11 HH21 ARG 11 53.426 -8.324 35.160
79 H CYS 12 HN CYS 12 55.494 -2.379 29.804
80 HA CYS 12 HA CYS 12 57.219 -3.760 31.837
81 HB2 CYS 12 HB2 CYS 12 57.894 -2.910 29.032
82 HB3 CYS 12 HB3 CYS 12 58.934 -3.789 30.146
83 HN1 NH2 13 HN1 NH2 13 57.825 -2.380 33.435
84 HN2 NH2 13 HN2 NH2 13 58.376 -0.740 33.172
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 64.129 -2.536 27.164
2 H2 GLY 1 HT2 GLY 1 63.825 -4.151 27.139
3 H3 GLY 1 HT3 GLY 1 64.250 -3.425 28.551
4 HA2 GLY 1 HA1 GLY 1 61.930 -3.863 28.608
5 HA3 GLY 1 HA2 GLY 1 62.219 -2.122 28.547
6 H1 81S 2 HN 81S 2 60.156 -1.792 27.695
7 H4 81S 2 HA 81S 2 59.567 -2.748 24.894
8 H5 81S 2 HB2 81S 2 57.713 -2.157 27.232
9 H6 81S 2 HB3 81S 2 57.215 -2.677 25.643
10 H7 81S 2 HG 81S 2 56.977 -4.551 27.024
11 H8 81S 2 HD2 81S 2 59.531 -4.781 25.376
12 H9 81S 2 HD3 81S 2 58.738 -6.145 26.125
13 H ALA 3 HN ALA 3 60.435 -0.065 26.394
14 HA ALA 3 HA ALA 3 58.590 1.957 25.890
15 HB1 ALA 3 HB1 ALA 3 60.476 3.497 26.154
16 HB2 ALA 3 HB2 ALA 3 61.630 2.185 25.839
17 HB3 ALA 3 HB3 ALA 3 60.612 2.155 27.301
18 H SER 4 HN SER 4 60.585 0.431 23.443
19 HA SER 4 HA SER 4 60.040 2.485 21.401
20 HB2 SER 4 HB2 SER 4 61.219 -0.272 20.988
21 HB3 SER 4 HB3 SER 4 61.301 1.121 19.901
22 HG SER 4 HG SER 4 63.216 1.151 20.946
23 H ASP 5 HN ASP 5 58.227 -0.059 22.751
24 HA ASP 5 HA ASP 5 56.405 -0.260 20.392
25 HB2 ASP 5 HB2 ASP 5 57.785 -2.261 20.882
26 HB3 ASP 5 HB3 ASP 5 57.116 -2.328 22.510
27 HA PRO 6 HA PRO 6 54.167 1.921 23.752
28 HB2 PRO 6 HB2 PRO 6 52.314 2.319 21.390
29 HB3 PRO 6 HB3 PRO 6 52.729 3.453 22.719
30 HG2 PRO 6 HG2 PRO 6 53.998 3.729 20.362
31 HG3 PRO 6 HG3 PRO 6 54.960 3.751 21.872
32 HD2 PRO 6 HD2 PRO 6 54.505 1.430 19.972
33 HD3 PRO 6 HD3 PRO 6 56.033 2.021 20.692
34 H ARG 7 HN ARG 7 52.593 -0.419 21.513
35 HA ARG 7 HA ARG 7 50.392 -1.017 23.331
36 HB2 ARG 7 HB2 ARG 7 51.438 -2.569 20.930
37 HB3 ARG 7 HB3 ARG 7 49.917 -2.879 21.752
38 HG2 ARG 7 HG2 ARG 7 50.614 -0.321 20.248
39 HG3 ARG 7 HG3 ARG 7 49.562 -1.621 19.688
40 HD2 ARG 7 HD2 ARG 7 48.018 -1.176 21.581
41 HD3 ARG 7 HD3 ARG 7 49.052 0.170 22.108
42 HE ARG 7 HE ARG 7 48.534 0.712 19.442
43 HH11 ARG 7 HH11 ARG 7 46.429 0.275 22.242
44 HH12 ARG 7 HH12 ARG 7 45.363 1.557 21.697
45 HH21 ARG 7 HH22 ARG 7 47.000 2.060 18.716
46 HH22 ARG 7 HH21 ARG 7 45.485 2.215 19.573
47 H CYS 8 HN CYS 8 53.590 -1.815 23.587
48 HA CYS 8 HA CYS 8 53.062 -4.136 25.407
49 HB2 CYS 8 HB2 CYS 8 54.636 -4.094 23.246
50 HB3 CYS 8 HB3 CYS 8 55.714 -3.197 24.242
51 H ALA 9 HN ALA 9 54.618 -0.937 25.111
52 HA ALA 9 HA ALA 9 55.873 -0.741 27.540
53 HB1 ALA 9 HB1 ALA 9 54.187 1.393 26.137
54 HB2 ALA 9 HB2 ALA 9 55.865 0.970 25.717
55 HB3 ALA 9 HB3 ALA 9 55.499 1.702 27.292
56 H TRP 10 HN TRP 10 52.450 -0.551 26.873
57 HA TRP 10 HA TRP 10 50.855 -0.213 28.968
58 HB2 TRP 10 HB2 TRP 10 50.853 -1.634 26.663
59 HB3 TRP 10 HB3 TRP 10 50.971 -2.983 27.754
60 HD1 TRP 10 HD1 TRP 10 48.686 -0.800 26.051
61 HE1 TRP 10 HE1 TRP 10 46.227 -1.215 26.750
62 HE3 TRP 10 HE3 TRP 10 49.500 -3.521 30.312
63 HZ2 TRP 10 HZ2 TRP 10 44.831 -2.547 28.877
64 HZ3 TRP 10 HZ3 TRP 10 47.586 -4.402 31.622
65 HH2 TRP 10 HH2 TRP 10 45.254 -3.937 30.907
66 H ARG 11 HN ARG 11 53.176 -2.957 28.878
67 HA ARG 11 HA ARG 11 52.376 -3.829 31.629
68 HB2 ARG 11 HB2 ARG 11 54.037 -5.348 29.584
69 HB3 ARG 11 HB3 ARG 11 53.330 -5.940 31.078
70 HG2 ARG 11 HG2 ARG 11 51.048 -5.128 29.829
71 HG3 ARG 11 HG3 ARG 11 52.062 -5.425 28.418
72 HD2 ARG 11 HD2 ARG 11 51.136 -7.505 28.652
73 HD3 ARG 11 HD3 ARG 11 52.546 -7.754 29.679
74 HE ARG 11 HE ARG 11 49.699 -7.410 30.493
75 HH11 ARG 11 HH12 ARG 11 52.968 -7.901 31.800
76 HH12 ARG 11 HH11 ARG 11 52.322 -8.046 33.411
77 HH21 ARG 11 HH21 ARG 11 49.047 -7.664 32.426
78 HH22 ARG 11 HH22 ARG 11 50.141 -7.833 33.794
79 H CYS 12 HN CYS 12 54.810 -2.020 30.232
80 HA CYS 12 HA CYS 12 56.828 -2.867 32.310
81 HB2 CYS 12 HB2 CYS 12 57.320 -1.907 29.479
82 HB3 CYS 12 HB3 CYS 12 58.552 -2.353 30.663
83 HN1 NH2 13 HN1 NH2 13 55.029 -0.076 31.246
84 HN2 NH2 13 HN2 NH2 13 56.004 1.082 32.119
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 63.713 -5.536 25.541
2 H2 GLY 1 HT2 GLY 1 63.366 -4.480 24.317
3 H3 GLY 1 HT3 GLY 1 62.275 -5.644 24.739
4 HA2 GLY 1 HA1 GLY 1 61.985 -4.686 26.905
5 HA3 GLY 1 HA2 GLY 1 63.122 -3.405 26.450
6 H1 81S 2 HN 81S 2 59.916 -4.328 26.570
7 H4 81S 2 HA 81S 2 58.778 -3.300 24.241
8 H5 81S 2 HB2 81S 2 57.228 -3.288 26.817
9 H6 81S 2 HB3 81S 2 56.728 -3.652 25.222
10 H7 81S 2 HG 81S 2 56.614 -5.638 26.562
11 H8 81S 2 HD2 81S 2 58.592 -5.539 24.309
12 H9 81S 2 HD3 81S 2 58.544 -6.985 25.257
13 H ALA 3 HN ALA 3 60.095 -1.264 26.618
14 HA ALA 3 HA ALA 3 58.393 0.935 26.817
15 HB1 ALA 3 HB1 ALA 3 60.537 2.255 26.966
16 HB2 ALA 3 HB2 ALA 3 61.413 0.812 26.418
17 HB3 ALA 3 HB3 ALA 3 60.536 0.784 27.960
18 H SER 4 HN SER 4 60.371 0.108 23.960
19 HA SER 4 HA SER 4 59.650 2.497 22.455
20 HB2 SER 4 HB2 SER 4 60.871 -0.132 21.540
21 HB3 SER 4 HB3 SER 4 60.833 1.382 20.623
22 HG SER 4 HG SER 4 62.789 1.053 21.662
23 H ASP 5 HN ASP 5 57.730 -0.230 23.147
24 HA ASP 5 HA ASP 5 57.015 -0.835 20.406
25 HB2 ASP 5 HB2 ASP 5 57.558 -2.575 22.083
26 HB3 ASP 5 HB3 ASP 5 56.073 -2.169 22.950
27 HA PRO 6 HA PRO 6 53.291 1.553 20.376
28 HB2 PRO 6 HB2 PRO 6 52.359 -0.636 18.490
29 HB3 PRO 6 HB3 PRO 6 52.130 1.138 18.343
30 HG2 PRO 6 HG2 PRO 6 54.125 -0.051 16.971
31 HG3 PRO 6 HG3 PRO 6 54.465 1.469 17.866
32 HD2 PRO 6 HD2 PRO 6 55.078 -1.381 18.697
33 HD3 PRO 6 HD3 PRO 6 56.077 0.106 18.850
34 H ARG 7 HN ARG 7 53.146 -1.860 21.460
35 HA ARG 7 HA ARG 7 50.506 -1.204 22.748
36 HB2 ARG 7 HB2 ARG 7 51.454 -3.925 21.732
37 HB3 ARG 7 HB3 ARG 7 50.032 -3.645 22.714
38 HG2 ARG 7 HG2 ARG 7 50.443 -2.619 19.869
39 HG3 ARG 7 HG3 ARG 7 49.404 -3.953 20.391
40 HD2 ARG 7 HD2 ARG 7 48.246 -2.239 21.928
41 HD3 ARG 7 HD3 ARG 7 49.086 -0.990 20.990
42 HE ARG 7 HE ARG 7 47.786 -2.637 19.111
43 HH11 ARG 7 HH11 ARG 7 46.865 -0.503 21.755
44 HH12 ARG 7 HH12 ARG 7 45.245 -0.293 21.101
45 HH21 ARG 7 HH22 ARG 7 45.601 -2.202 18.360
46 HH22 ARG 7 HH21 ARG 7 44.594 -1.216 19.380
47 H CYS 8 HN CYS 8 53.290 -3.459 22.968
48 HA CYS 8 HA CYS 8 52.623 -3.915 25.676
49 HB2 CYS 8 HB2 CYS 8 54.655 -5.273 25.694
50 HB3 CYS 8 HB3 CYS 8 53.394 -5.739 24.582
51 H ALA 9 HN ALA 9 54.232 -1.210 24.635
52 HA ALA 9 HA ALA 9 55.697 -0.396 26.907
53 HB1 ALA 9 HB1 ALA 9 53.685 1.056 25.127
54 HB2 ALA 9 HB2 ALA 9 55.435 0.916 24.862
55 HB3 ALA 9 HB3 ALA 9 54.826 1.841 26.246
56 H TRP 10 HN TRP 10 52.193 -1.164 26.665
57 HA TRP 10 HA TRP 10 51.515 -0.027 29.220
58 HB2 TRP 10 HB2 TRP 10 49.457 -1.398 29.078
59 HB3 TRP 10 HB3 TRP 10 49.762 -0.262 27.798
60 HD1 TRP 10 HD1 TRP 10 48.391 -1.133 25.968
61 HE1 TRP 10 HE1 TRP 10 48.234 -3.277 24.543
62 HE3 TRP 10 HE3 TRP 10 51.497 -4.216 28.685
63 HZ2 TRP 10 HZ2 TRP 10 49.445 -5.854 24.473
64 HZ3 TRP 10 HZ3 TRP 10 51.970 -6.501 27.892
65 HH2 TRP 10 HH2 TRP 10 50.968 -7.332 25.783
66 H ARG 11 HN ARG 11 53.726 -2.372 28.856
67 HA ARG 11 HA ARG 11 53.417 -2.942 31.768
68 HB2 ARG 11 HB2 ARG 11 53.897 -4.992 29.598
69 HB3 ARG 11 HB3 ARG 11 54.796 -5.150 31.109
70 HG2 ARG 11 HG2 ARG 11 52.654 -5.005 32.399
71 HG3 ARG 11 HG3 ARG 11 51.765 -5.051 30.867
72 HD2 ARG 11 HD2 ARG 11 52.768 -7.241 30.345
73 HD3 ARG 11 HD3 ARG 11 53.722 -7.179 31.841
74 HE ARG 11 HE ARG 11 51.249 -6.936 32.882
75 HH11 ARG 11 HH12 ARG 11 52.368 -9.375 30.536
76 HH12 ARG 11 HH11 ARG 11 50.981 -10.380 30.976
77 HH21 ARG 11 HH22 ARG 11 49.791 -8.389 33.404
78 HH22 ARG 11 HH21 ARG 11 49.669 -9.910 32.497
79 H CYS 12 HN CYS 12 55.755 -2.561 29.060
80 HA CYS 12 HA CYS 12 57.862 -2.303 31.161
81 HB2 CYS 12 HB2 CYS 12 58.566 -2.815 28.324
82 HB3 CYS 12 HB3 CYS 12 59.412 -3.236 29.784
83 HN1 NH2 13 HN1 NH2 13 59.528 -0.751 31.035
84 HN2 NH2 13 HN2 NH2 13 59.314 0.732 30.137
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 63.150 -5.719 23.980
2 H2 GLY 1 HT2 GLY 1 62.076 -6.940 24.233
3 H3 GLY 1 HT3 GLY 1 63.367 -6.780 25.231
4 HA2 GLY 1 HA1 GLY 1 61.411 -6.017 26.339
5 HA3 GLY 1 HA2 GLY 1 62.528 -4.665 26.049
6 H1 81S 2 HN 81S 2 60.107 -3.824 26.489
7 H4 81S 2 HA 81S 2 58.786 -3.362 23.813
8 H5 81S 2 HB2 81S 2 57.265 -3.360 26.408
9 H6 81S 2 HB3 81S 2 56.671 -3.474 24.789
10 H7 81S 2 HG 81S 2 56.217 -5.524 25.821
11 H8 81S 2 HD2 81S 2 58.370 -5.509 23.768
12 H9 81S 2 HD3 81S 2 58.196 -7.004 24.627
13 H ALA 3 HN ALA 3 60.372 -1.712 26.246
14 HA ALA 3 HA ALA 3 58.708 0.221 27.192
15 HB1 ALA 3 HB1 ALA 3 60.799 1.532 27.639
16 HB2 ALA 3 HB2 ALA 3 61.679 0.420 26.569
17 HB3 ALA 3 HB3 ALA 3 60.923 -0.186 28.054
18 H SER 4 HN SER 4 59.978 0.364 23.916
19 HA SER 4 HA SER 4 58.588 2.993 23.496
20 HB2 SER 4 HB2 SER 4 61.020 1.860 22.089
21 HB3 SER 4 HB3 SER 4 60.170 3.351 21.615
22 HG SER 4 HG SER 4 61.918 3.856 22.899
23 H ASP 5 HN ASP 5 57.700 -0.063 23.134
24 HA ASP 5 HA ASP 5 57.037 -0.039 20.275
25 HB2 ASP 5 HB2 ASP 5 57.842 -2.104 21.254
26 HB3 ASP 5 HB3 ASP 5 56.471 -2.127 22.376
27 HA PRO 6 HA PRO 6 53.087 1.876 20.849
28 HB2 PRO 6 HB2 PRO 6 52.282 0.131 18.504
29 HB3 PRO 6 HB3 PRO 6 51.916 1.861 18.785
30 HG2 PRO 6 HG2 PRO 6 53.935 1.209 17.151
31 HG3 PRO 6 HG3 PRO 6 54.213 2.475 18.397
32 HD2 PRO 6 HD2 PRO 6 54.973 -0.458 18.488
33 HD3 PRO 6 HD3 PRO 6 55.944 0.990 18.913
34 H ARG 7 HN ARG 7 53.172 -1.691 21.099
35 HA ARG 7 HA ARG 7 50.253 -1.679 21.895
36 HB2 ARG 7 HB2 ARG 7 51.939 -4.020 20.926
37 HB3 ARG 7 HB3 ARG 7 50.217 -4.008 21.260
38 HG2 ARG 7 HG2 ARG 7 51.687 -2.742 18.939
39 HG3 ARG 7 HG3 ARG 7 50.474 -4.016 18.906
40 HD2 ARG 7 HD2 ARG 7 50.020 -1.064 19.493
41 HD3 ARG 7 HD3 ARG 7 49.570 -1.959 18.045
42 HE ARG 7 HE ARG 7 48.317 -3.070 20.443
43 HH11 ARG 7 HH12 ARG 7 47.965 -0.595 17.944
44 HH12 ARG 7 HH11 ARG 7 46.221 -0.596 18.128
45 HH21 ARG 7 HH22 ARG 7 46.135 -2.582 20.886
46 HH22 ARG 7 HH21 ARG 7 45.260 -1.631 19.707
47 H CYS 8 HN CYS 8 53.474 -2.779 22.792
48 HA CYS 8 HA CYS 8 52.323 -4.070 25.225
49 HB2 CYS 8 HB2 CYS 8 54.220 -5.592 24.961
50 HB3 CYS 8 HB3 CYS 8 53.086 -5.635 23.641
51 H ALA 9 HN ALA 9 53.910 -1.250 24.721
52 HA ALA 9 HA ALA 9 56.013 -1.303 26.692
53 HB1 ALA 9 HB1 ALA 9 55.864 1.138 26.495
54 HB2 ALA 9 HB2 ALA 9 54.300 1.007 25.668
55 HB3 ALA 9 HB3 ALA 9 55.775 0.416 24.883
56 H TRP 10 HN TRP 10 52.521 -0.950 26.944
57 HA TRP 10 HA TRP 10 52.145 0.625 29.064
58 HB2 TRP 10 HB2 TRP 10 50.024 -0.378 29.400
59 HB3 TRP 10 HB3 TRP 10 50.396 -0.419 27.694
60 HD1 TRP 10 HD1 TRP 10 50.477 -2.775 26.529
61 HE1 TRP 10 HE1 TRP 10 49.668 -5.124 27.238
62 HE3 TRP 10 HE3 TRP 10 50.122 -2.034 31.577
63 HZ2 TRP 10 HZ2 TRP 10 48.667 -6.380 29.619
64 HZ3 TRP 10 HZ3 TRP 10 49.121 -3.786 33.038
65 HH2 TRP 10 HH2 TRP 10 48.367 -5.946 32.069
66 H ARG 11 HN ARG 11 53.047 -2.796 29.555
67 HA ARG 11 HA ARG 11 53.211 -2.345 32.506
68 HB2 ARG 11 HB2 ARG 11 52.158 -4.427 31.075
69 HB3 ARG 11 HB3 ARG 11 53.778 -5.041 31.305
70 HG2 ARG 11 HG2 ARG 11 51.896 -4.094 33.520
71 HG3 ARG 11 HG3 ARG 11 52.097 -5.763 33.009
72 HD2 ARG 11 HD2 ARG 11 54.550 -5.587 33.634
73 HD3 ARG 11 HD3 ARG 11 54.172 -4.039 34.397
74 HE ARG 11 HE ARG 11 53.605 -6.689 35.425
75 HH11 ARG 11 HH12 ARG 11 52.623 -3.328 35.721
76 HH12 ARG 11 HH11 ARG 11 51.678 -3.651 37.150
77 HH21 ARG 11 HH22 ARG 11 52.311 -7.023 37.256
78 HH22 ARG 11 HH21 ARG 11 51.577 -5.633 38.000
79 H CYS 12 HN CYS 12 55.280 -2.895 29.732
80 HA CYS 12 HA CYS 12 57.497 -3.901 31.278
81 HB2 CYS 12 HB2 CYS 12 57.525 -2.916 28.436
82 HB3 CYS 12 HB3 CYS 12 58.791 -3.841 29.236
83 HN1 NH2 13 HN1 NH2 13 59.475 -3.049 31.858
84 HN2 NH2 13 HN2 NH2 13 59.747 -1.318 31.949
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 61.235 -7.514 24.539
2 H2 GLY 1 HT2 GLY 1 62.664 -7.690 25.351
3 H3 GLY 1 HT3 GLY 1 62.616 -6.862 23.932
4 HA2 GLY 1 HA1 GLY 1 61.384 -6.000 26.451
5 HA3 GLY 1 HA2 GLY 1 62.807 -5.295 25.655
6 H1 81S 2 HN 81S 2 60.154 -4.143 26.369
7 H4 81S 2 HA 81S 2 58.974 -3.518 23.654
8 H5 81S 2 HB2 81S 2 57.488 -3.419 26.242
9 H6 81S 2 HB3 81S 2 56.853 -3.561 24.639
10 H7 81S 2 HG 81S 2 56.330 -5.566 25.755
11 H8 81S 2 HD2 81S 2 58.442 -5.650 23.659
12 H9 81S 2 HD3 81S 2 58.210 -7.142 24.530
13 H ALA 3 HN ALA 3 60.732 -2.020 25.851
14 HA ALA 3 HA ALA 3 59.476 -0.080 27.196
15 HB1 ALA 3 HB1 ALA 3 61.624 1.109 27.271
16 HB2 ALA 3 HB2 ALA 3 62.177 0.248 25.817
17 HB3 ALA 3 HB3 ALA 3 61.882 -0.643 27.330
18 H SER 4 HN SER 4 60.078 0.267 23.718
19 HA SER 4 HA SER 4 58.643 2.897 23.740
20 HB2 SER 4 HB2 SER 4 60.925 1.944 22.001
21 HB3 SER 4 HB3 SER 4 60.026 3.459 21.733
22 HG SER 4 HG SER 4 62.034 3.647 22.978
23 H ASP 5 HN ASP 5 57.808 -0.161 23.201
24 HA ASP 5 HA ASP 5 56.806 0.023 20.473
25 HB2 ASP 5 HB2 ASP 5 57.544 -2.125 21.401
26 HB3 ASP 5 HB3 ASP 5 56.261 -2.053 22.605
27 HA PRO 6 HA PRO 6 53.084 2.188 21.590
28 HB2 PRO 6 HB2 PRO 6 51.943 0.685 19.214
29 HB3 PRO 6 HB3 PRO 6 51.744 2.411 19.651
30 HG2 PRO 6 HG2 PRO 6 53.535 1.723 17.761
31 HG3 PRO 6 HG3 PRO 6 54.004 2.907 19.029
32 HD2 PRO 6 HD2 PRO 6 54.629 -0.054 18.894
33 HD3 PRO 6 HD3 PRO 6 55.695 1.324 19.312
34 H ARG 7 HN ARG 7 52.987 -1.421 21.316
35 HA ARG 7 HA ARG 7 50.170 -1.411 22.376
36 HB2 ARG 7 HB2 ARG 7 51.740 -3.598 20.964
37 HB3 ARG 7 HB3 ARG 7 50.051 -3.659 21.426
38 HG2 ARG 7 HG2 ARG 7 51.330 -1.961 19.253
39 HG3 ARG 7 HG3 ARG 7 50.172 -3.275 19.057
40 HD2 ARG 7 HD2 ARG 7 49.640 -0.534 20.267
41 HD3 ARG 7 HD3 ARG 7 49.083 -1.128 18.700
42 HE ARG 7 HE ARG 7 48.104 -2.940 20.643
43 HH11 ARG 7 HH12 ARG 7 47.580 0.464 19.876
44 HH12 ARG 7 HH11 ARG 7 45.942 0.395 20.511
45 HH21 ARG 7 HH22 ARG 7 46.106 -2.911 21.391
46 HH22 ARG 7 HH21 ARG 7 45.183 -1.416 21.457
47 H CYS 8 HN CYS 8 53.427 -2.660 22.814
48 HA CYS 8 HA CYS 8 52.533 -3.965 25.326
49 HB2 CYS 8 HB2 CYS 8 54.275 -5.553 24.905
50 HB3 CYS 8 HB3 CYS 8 53.110 -5.526 23.617
51 H ALA 9 HN ALA 9 54.148 -1.131 24.792
52 HA ALA 9 HA ALA 9 56.059 -1.366 26.986
53 HB1 ALA 9 HB1 ALA 9 56.156 0.469 25.332
54 HB2 ALA 9 HB2 ALA 9 55.931 1.101 26.973
55 HB3 ALA 9 HB3 ALA 9 54.554 1.022 25.853
56 H TRP 10 HN TRP 10 52.690 -1.490 26.884
57 HA TRP 10 HA TRP 10 51.487 -0.156 28.783
58 HB2 TRP 10 HB2 TRP 10 50.801 -2.125 27.204
59 HB3 TRP 10 HB3 TRP 10 51.037 -3.147 28.609
60 HD1 TRP 10 HD1 TRP 10 48.918 -0.259 27.277
61 HE1 TRP 10 HE1 TRP 10 46.609 -0.254 28.479
62 HE3 TRP 10 HE3 TRP 10 49.791 -3.956 30.641
63 HZ2 TRP 10 HZ2 TRP 10 45.431 -1.532 30.783
64 HZ3 TRP 10 HZ3 TRP 10 48.049 -4.588 32.331
65 HH2 TRP 10 HH2 TRP 10 45.889 -3.372 32.415
66 H ARG 11 HN ARG 11 53.302 -3.123 29.784
67 HA ARG 11 HA ARG 11 53.494 -1.990 32.586
68 HB2 ARG 11 HB2 ARG 11 54.000 -4.852 31.687
69 HB3 ARG 11 HB3 ARG 11 54.053 -4.243 33.331
70 HG2 ARG 11 HG2 ARG 11 51.563 -4.518 31.613
71 HG3 ARG 11 HG3 ARG 11 52.096 -5.614 32.860
72 HD2 ARG 11 HD2 ARG 11 50.441 -4.443 33.907
73 HD3 ARG 11 HD3 ARG 11 51.909 -3.687 34.535
74 HE ARG 11 HE ARG 11 51.243 -2.021 32.452
75 HH11 ARG 11 HH12 ARG 11 49.248 -3.213 35.135
76 HH12 ARG 11 HH11 ARG 11 48.229 -1.773 35.022
77 HH21 ARG 11 HH21 ARG 11 49.702 -0.342 32.381
78 HH22 ARG 11 HH22 ARG 11 48.508 -0.307 33.670
79 H CYS 12 HN CYS 12 55.266 -3.288 29.831
80 HA CYS 12 HA CYS 12 57.787 -3.615 31.083
81 HB2 CYS 12 HB2 CYS 12 57.258 -2.951 28.201
82 HB3 CYS 12 HB3 CYS 12 58.766 -3.603 28.840
83 HN1 NH2 13 HN1 NH2 13 59.688 -2.392 31.336
84 HN2 NH2 13 HN2 NH2 13 59.762 -0.680 30.981
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 63.906 -3.399 26.115
2 H2 GLY 1 HT2 GLY 1 62.661 -2.592 26.836
3 H3 GLY 1 HT3 GLY 1 63.247 -2.077 25.394
4 HA2 GLY 1 HA1 GLY 1 62.478 -4.071 24.304
5 HA3 GLY 1 HA2 GLY 1 61.802 -4.597 25.862
6 H1 81S 2 HN 81S 2 59.644 -4.175 26.050
7 H4 81S 2 HA 81S 2 58.287 -2.878 24.009
8 H5 81S 2 HB2 81S 2 56.955 -3.195 26.689
9 H6 81S 2 HB3 81S 2 56.324 -3.297 25.115
10 H7 81S 2 HG 81S 2 56.262 -5.467 26.088
11 H8 81S 2 HD2 81S 2 58.177 -5.080 23.794
12 H9 81S 2 HD3 81S 2 58.047 -6.660 24.509
13 H ALA 3 HN ALA 3 59.736 -1.119 26.583
14 HA ALA 3 HA ALA 3 58.118 1.249 26.627
15 HB1 ALA 3 HB1 ALA 3 60.257 2.363 27.200
16 HB2 ALA 3 HB2 ALA 3 61.156 0.906 26.722
17 HB3 ALA 3 HB3 ALA 3 60.046 0.860 28.115
18 H SER 4 HN SER 4 60.442 0.018 24.206
19 HA SER 4 HA SER 4 60.275 2.319 22.438
20 HB2 SER 4 HB2 SER 4 61.303 -0.502 21.965
21 HB3 SER 4 HB3 SER 4 61.536 0.877 20.883
22 HG SER 4 HG SER 4 63.322 0.502 22.177
23 H ASP 5 HN ASP 5 57.775 0.191 23.091
24 HA ASP 5 HA ASP 5 56.869 0.111 20.255
25 HB2 ASP 5 HB2 ASP 5 57.711 -2.059 21.176
26 HB3 ASP 5 HB3 ASP 5 56.362 -2.029 22.315
27 HA PRO 6 HA PRO 6 53.200 2.214 21.729
28 HB2 PRO 6 HB2 PRO 6 52.068 0.883 19.248
29 HB3 PRO 6 HB3 PRO 6 51.776 2.542 19.860
30 HG2 PRO 6 HG2 PRO 6 53.578 2.165 17.899
31 HG3 PRO 6 HG3 PRO 6 54.014 3.214 19.292
32 HD2 PRO 6 HD2 PRO 6 54.775 0.327 18.795
33 HD3 PRO 6 HD3 PRO 6 55.773 1.689 19.400
34 H ARG 7 HN ARG 7 53.119 -1.373 21.261
35 HA ARG 7 HA ARG 7 50.254 -1.384 22.181
36 HB2 ARG 7 HB2 ARG 7 51.933 -3.354 20.598
37 HB3 ARG 7 HB3 ARG 7 50.312 -3.715 21.165
38 HG2 ARG 7 HG2 ARG 7 50.868 -1.328 19.347
39 HG3 ARG 7 HG3 ARG 7 50.609 -2.958 18.748
40 HD2 ARG 7 HD2 ARG 7 48.511 -1.949 18.562
41 HD3 ARG 7 HD3 ARG 7 48.394 -3.021 19.941
42 HE ARG 7 HE ARG 7 47.991 -1.214 21.330
43 HH11 ARG 7 HH12 ARG 7 49.017 0.097 18.224
44 HH12 ARG 7 HH11 ARG 7 48.535 1.711 18.672
45 HH21 ARG 7 HH21 ARG 7 47.239 0.825 21.723
46 HH22 ARG 7 HH22 ARG 7 47.516 2.101 20.575
47 H CYS 8 HN CYS 8 53.320 -1.969 23.371
48 HA CYS 8 HA CYS 8 52.211 -3.515 25.654
49 HB2 CYS 8 HB2 CYS 8 54.283 -4.953 25.410
50 HB3 CYS 8 HB3 CYS 8 52.988 -5.226 24.274
51 H ALA 9 HN ALA 9 53.888 -0.731 24.946
52 HA ALA 9 HA ALA 9 55.727 -0.347 27.060
53 HB1 ALA 9 HB1 ALA 9 53.454 1.409 26.008
54 HB2 ALA 9 HB2 ALA 9 55.105 1.325 25.336
55 HB3 ALA 9 HB3 ALA 9 54.835 1.978 26.961
56 H TRP 10 HN TRP 10 52.256 -0.604 27.054
57 HA TRP 10 HA TRP 10 50.993 -0.360 29.308
58 HB2 TRP 10 HB2 TRP 10 50.546 -1.754 27.204
59 HB3 TRP 10 HB3 TRP 10 51.388 -3.085 27.988
60 HD1 TRP 10 HD1 TRP 10 48.508 -0.688 28.653
61 HE1 TRP 10 HE1 TRP 10 46.588 -1.913 29.923
62 HE3 TRP 10 HE3 TRP 10 50.708 -5.255 29.131
63 HZ2 TRP 10 HZ2 TRP 10 46.171 -4.522 31.089
64 HZ3 TRP 10 HZ3 TRP 10 49.543 -7.106 30.335
65 HH2 TRP 10 HH2 TRP 10 47.296 -6.740 31.331
66 H ARG 11 HN ARG 11 53.701 -2.739 29.235
67 HA ARG 11 HA ARG 11 53.634 -2.739 32.230
68 HB2 ARG 11 HB2 ARG 11 53.750 -5.217 30.456
69 HB3 ARG 11 HB3 ARG 11 54.298 -5.226 32.126
70 HG2 ARG 11 HG2 ARG 11 51.487 -4.505 31.292
71 HG3 ARG 11 HG3 ARG 11 52.001 -6.100 31.849
72 HD2 ARG 11 HD2 ARG 11 52.683 -5.105 34.026
73 HD3 ARG 11 HD3 ARG 11 52.114 -3.521 33.490
74 HE ARG 11 HE ARG 11 50.526 -5.639 34.571
75 HH11 ARG 11 HH12 ARG 11 50.267 -2.967 32.269
76 HH12 ARG 11 HH11 ARG 11 48.529 -2.889 32.520
77 HH21 ARG 11 HH22 ARG 11 48.310 -5.437 34.730
78 HH22 ARG 11 HH21 ARG 11 47.512 -4.146 33.850
79 H CYS 12 HN CYS 12 55.653 -2.754 29.391
80 HA CYS 12 HA CYS 12 58.046 -3.094 31.161
81 HB2 CYS 12 HB2 CYS 12 58.271 -2.909 28.204
82 HB3 CYS 12 HB3 CYS 12 59.336 -3.657 29.354
83 HN1 NH2 13 HN1 NH2 13 59.595 -1.543 31.485
84 HN2 NH2 13 HN2 NH2 13 59.454 0.100 30.889
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 62.849 -2.534 22.907
2 H2 GLY 1 HT2 GLY 1 62.510 -4.083 23.349
3 H3 GLY 1 HT3 GLY 1 63.927 -3.381 23.807
4 HA2 GLY 1 HA1 GLY 1 62.326 -3.507 25.644
5 HA3 GLY 1 HA2 GLY 1 62.851 -1.860 25.247
6 H1 81S 2 HN 81S 2 60.206 -3.105 26.370
7 H4 81S 2 HA 81S 2 58.225 -2.482 24.348
8 H5 81S 2 HB2 81S 2 57.355 -2.463 27.190
9 H6 81S 2 HB3 81S 2 56.617 -3.069 25.789
10 H7 81S 2 HG 81S 2 57.066 -4.921 27.197
11 H8 81S 2 HD2 81S 2 58.919 -4.849 24.784
12 H9 81S 2 HD3 81S 2 58.715 -6.246 25.776
13 H ALA 3 HN ALA 3 59.999 -0.501 26.569
14 HA ALA 3 HA ALA 3 58.357 1.863 26.431
15 HB1 ALA 3 HB1 ALA 3 60.410 3.016 27.113
16 HB2 ALA 3 HB2 ALA 3 61.364 1.573 26.740
17 HB3 ALA 3 HB3 ALA 3 60.177 1.537 28.065
18 H SER 4 HN SER 4 60.027 0.208 23.943
19 HA SER 4 HA SER 4 59.766 2.518 22.074
20 HB2 SER 4 HB2 SER 4 61.478 0.028 21.784
21 HB3 SER 4 HB3 SER 4 61.437 1.418 20.691
22 HG SER 4 HG SER 4 63.199 1.343 22.233
23 H ASP 5 HN ASP 5 57.957 -0.074 22.995
24 HA ASP 5 HA ASP 5 56.831 -0.542 20.265
25 HB2 ASP 5 HB2 ASP 5 58.125 -2.513 21.063
26 HB3 ASP 5 HB3 ASP 5 57.059 -2.630 22.460
27 HA PRO 6 HA PRO 6 54.115 1.918 22.946
28 HB2 PRO 6 HB2 PRO 6 52.471 1.840 20.400
29 HB3 PRO 6 HB3 PRO 6 52.697 3.201 21.552
30 HG2 PRO 6 HG2 PRO 6 54.186 3.106 19.314
31 HG3 PRO 6 HG3 PRO 6 54.971 3.484 20.878
32 HD2 PRO 6 HD2 PRO 6 54.959 0.877 19.356
33 HD3 PRO 6 HD3 PRO 6 56.278 1.658 20.274
34 H ARG 7 HN ARG 7 52.585 -0.745 21.040
35 HA ARG 7 HA ARG 7 50.342 -0.838 22.939
36 HB2 ARG 7 HB2 ARG 7 50.913 -2.604 20.558
37 HB3 ARG 7 HB3 ARG 7 49.441 -2.630 21.523
38 HG2 ARG 7 HG2 ARG 7 50.415 -0.246 19.878
39 HG3 ARG 7 HG3 ARG 7 49.192 -1.407 19.405
40 HD2 ARG 7 HD2 ARG 7 47.935 0.423 20.104
41 HD3 ARG 7 HD3 ARG 7 47.832 -0.705 21.445
42 HE ARG 7 HE ARG 7 48.773 0.915 22.801
43 HH11 ARG 7 HH12 ARG 7 49.513 1.984 19.486
44 HH12 ARG 7 HH11 ARG 7 50.162 3.484 20.138
45 HH21 ARG 7 HH21 ARG 7 49.625 2.809 23.379
46 HH22 ARG 7 HH22 ARG 7 50.301 3.893 22.149
47 H CYS 8 HN CYS 8 53.362 -1.844 23.399
48 HA CYS 8 HA CYS 8 52.536 -3.964 25.333
49 HB2 CYS 8 HB2 CYS 8 54.177 -4.430 23.423
50 HB3 CYS 8 HB3 CYS 8 55.281 -3.341 24.187
51 H ALA 9 HN ALA 9 53.159 -0.652 25.147
52 HA ALA 9 HA ALA 9 55.201 -0.293 27.004
53 HB1 ALA 9 HB1 ALA 9 54.467 1.384 25.348
54 HB2 ALA 9 HB2 ALA 9 54.465 2.080 26.982
55 HB3 ALA 9 HB3 ALA 9 52.938 1.604 26.228
56 H TRP 10 HN TRP 10 51.777 -0.841 27.669
57 HA TRP 10 HA TRP 10 51.570 -0.129 30.394
58 HB2 TRP 10 HB2 TRP 10 49.901 -1.830 30.526
59 HB3 TRP 10 HB3 TRP 10 49.761 -1.044 28.971
60 HD1 TRP 10 HD1 TRP 10 50.174 -2.536 26.806
61 HE1 TRP 10 HE1 TRP 10 50.254 -5.084 26.421
62 HE3 TRP 10 HE3 TRP 10 50.863 -4.070 31.629
63 HZ2 TRP 10 HZ2 TRP 10 50.343 -7.471 28.026
64 HZ3 TRP 10 HZ3 TRP 10 50.789 -6.493 32.203
65 HH2 TRP 10 HH2 TRP 10 50.531 -8.199 30.411
66 H ARG 11 HN ARG 11 53.163 -2.957 28.948
67 HA ARG 11 HA ARG 11 53.595 -4.430 31.368
68 HB2 ARG 11 HB2 ARG 11 53.712 -4.945 28.664
69 HB3 ARG 11 HB3 ARG 11 55.422 -4.862 29.025
70 HG2 ARG 11 HG2 ARG 11 53.337 -6.753 30.176
71 HG3 ARG 11 HG3 ARG 11 54.616 -7.123 29.039
72 HD2 ARG 11 HD2 ARG 11 55.488 -8.015 30.976
73 HD3 ARG 11 HD3 ARG 11 56.266 -6.443 30.927
74 HE ARG 11 HE ARG 11 55.225 -5.908 32.914
75 HH11 ARG 11 HH12 ARG 11 53.327 -8.612 31.647
76 HH12 ARG 11 HH11 ARG 11 52.247 -8.565 33.027
77 HH21 ARG 11 HH22 ARG 11 54.038 -6.026 34.592
78 HH22 ARG 11 HH21 ARG 11 52.641 -7.081 34.722
79 H CYS 12 HN CYS 12 55.654 -2.287 29.475
80 HA CYS 12 HA CYS 12 57.584 -2.044 31.757
81 HB2 CYS 12 HB2 CYS 12 58.530 -2.049 28.898
82 HB3 CYS 12 HB3 CYS 12 59.469 -2.226 30.356
83 HN1 NH2 13 HN1 NH2 13 57.786 0.052 32.375
84 HN2 NH2 13 HN2 NH2 13 57.557 1.438 31.319
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 63.516 -6.159 26.700
2 H2 GLY 1 HT2 GLY 1 63.085 -5.764 25.165
3 H3 GLY 1 HT3 GLY 1 62.049 -6.627 26.098
4 HA2 GLY 1 HA1 GLY 1 61.653 -4.810 27.544
5 HA3 GLY 1 HA2 GLY 1 62.914 -3.883 26.704
6 H1 81S 2 HN 81S 2 60.188 -3.089 27.063
7 H4 81S 2 HA 81S 2 59.131 -3.161 24.235
8 H5 81S 2 HB2 81S 2 57.486 -3.002 26.761
9 H6 81S 2 HB3 81S 2 56.931 -3.215 25.125
10 H7 81S 2 HG 81S 2 56.544 -5.235 26.235
11 H8 81S 2 HD2 81S 2 58.686 -5.226 24.172
12 H9 81S 2 HD3 81S 2 58.576 -6.685 25.097
13 H ALA 3 HN ALA 3 60.351 -0.977 26.459
14 HA ALA 3 HA ALA 3 58.635 1.129 26.714
15 HB1 ALA 3 HB1 ALA 3 61.616 1.257 26.071
16 HB2 ALA 3 HB2 ALA 3 60.886 1.033 27.676
17 HB3 ALA 3 HB3 ALA 3 60.653 2.554 26.806
18 H SER 4 HN SER 4 60.601 0.599 23.750
19 HA SER 4 HA SER 4 59.352 2.897 22.389
20 HB2 SER 4 HB2 SER 4 61.504 0.981 21.448
21 HB3 SER 4 HB3 SER 4 60.925 2.404 20.569
22 HG SER 4 HG SER 4 62.610 3.187 21.603
23 H ASP 5 HN ASP 5 57.910 0.098 22.958
24 HA ASP 5 HA ASP 5 56.727 -0.155 20.238
25 HB2 ASP 5 HB2 ASP 5 57.598 -2.235 21.130
26 HB3 ASP 5 HB3 ASP 5 56.602 -2.055 22.580
27 HA PRO 6 HA PRO 6 53.393 2.182 22.102
28 HB2 PRO 6 HB2 PRO 6 51.837 1.315 19.670
29 HB3 PRO 6 HB3 PRO 6 52.014 2.953 20.378
30 HG2 PRO 6 HG2 PRO 6 53.457 2.288 18.205
31 HG3 PRO 6 HG3 PRO 6 54.271 3.127 19.567
32 HD2 PRO 6 HD2 PRO 6 54.198 0.139 18.982
33 HD3 PRO 6 HD3 PRO 6 55.601 1.201 19.315
34 H ARG 7 HN ARG 7 53.036 -1.290 21.680
35 HA ARG 7 HA ARG 7 50.291 -1.232 22.915
36 HB2 ARG 7 HB2 ARG 7 51.451 -2.906 20.649
37 HB3 ARG 7 HB3 ARG 7 50.075 -3.463 21.581
38 HG2 ARG 7 HG2 ARG 7 50.191 -0.903 19.931
39 HG3 ARG 7 HG3 ARG 7 49.382 -2.404 19.483
40 HD2 ARG 7 HD2 ARG 7 48.609 -0.516 21.743
41 HD3 ARG 7 HD3 ARG 7 47.741 -0.813 20.236
42 HE ARG 7 HE ARG 7 48.104 -3.232 21.854
43 HH11 ARG 7 HH11 ARG 7 45.944 -0.463 21.486
44 HH12 ARG 7 HH12 ARG 7 44.635 -1.333 22.247
45 HH21 ARG 7 HH22 ARG 7 46.449 -4.214 22.725
46 HH22 ARG 7 HH21 ARG 7 44.862 -3.457 22.816
47 H CYS 8 HN CYS 8 53.531 -2.357 23.155
48 HA CYS 8 HA CYS 8 52.612 -3.799 25.588
49 HB2 CYS 8 HB2 CYS 8 54.354 -5.409 25.265
50 HB3 CYS 8 HB3 CYS 8 53.305 -5.413 23.875
51 H ALA 9 HN ALA 9 54.358 -1.030 24.816
52 HA ALA 9 HA ALA 9 56.129 -0.977 27.100
53 HB1 ALA 9 HB1 ALA 9 56.046 0.819 25.420
54 HB2 ALA 9 HB2 ALA 9 55.635 1.470 27.015
55 HB3 ALA 9 HB3 ALA 9 54.348 1.160 25.827
56 H TRP 10 HN TRP 10 52.700 -1.029 26.747
57 HA TRP 10 HA TRP 10 51.233 -0.113 28.571
58 HB2 TRP 10 HB2 TRP 10 50.819 -2.030 26.934
59 HB3 TRP 10 HB3 TRP 10 51.322 -3.141 28.198
60 HD1 TRP 10 HD1 TRP 10 48.869 -0.268 27.709
61 HE1 TRP 10 HE1 TRP 10 46.725 -0.654 29.120
62 HE3 TRP 10 HE3 TRP 10 50.065 -4.811 29.699
63 HZ2 TRP 10 HZ2 TRP 10 45.758 -2.644 30.979
64 HZ3 TRP 10 HZ3 TRP 10 48.522 -5.940 31.299
65 HH2 TRP 10 HH2 TRP 10 46.398 -4.845 31.983
66 H ARG 11 HN ARG 11 52.943 -3.097 29.627
67 HA ARG 11 HA ARG 11 53.179 -1.956 32.386
68 HB2 ARG 11 HB2 ARG 11 52.014 -4.686 31.710
69 HB3 ARG 11 HB3 ARG 11 52.473 -4.189 33.332
70 HG2 ARG 11 HG2 ARG 11 50.342 -2.817 31.656
71 HG3 ARG 11 HG3 ARG 11 50.045 -4.001 32.926
72 HD2 ARG 11 HD2 ARG 11 50.980 -2.475 34.594
73 HD3 ARG 11 HD3 ARG 11 51.358 -1.281 33.348
74 HE ARG 11 HE ARG 11 48.729 -1.909 34.504
75 HH11 ARG 11 HH11 ARG 11 50.283 -0.204 31.824
76 HH12 ARG 11 HH12 ARG 11 48.820 0.704 31.504
77 HH21 ARG 11 HH21 ARG 11 47.017 -0.537 34.106
78 HH22 ARG 11 HH22 ARG 11 47.179 0.679 32.861
79 H CYS 12 HN CYS 12 55.057 -2.470 30.101
80 HA CYS 12 HA CYS 12 57.140 -3.948 31.661
81 HB2 CYS 12 HB2 CYS 12 57.206 -2.818 28.868
82 HB3 CYS 12 HB3 CYS 12 58.599 -3.487 29.715
83 HN1 NH2 13 HN1 NH2 13 58.914 -2.878 32.582
84 HN2 NH2 13 HN2 NH2 13 59.029 -1.126 32.624
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 63.405 -5.358 24.742
2 H2 GLY 1 HT2 GLY 1 62.375 -6.478 25.355
3 H3 GLY 1 HT3 GLY 1 63.722 -6.038 26.196
4 HA2 GLY 1 HA1 GLY 1 61.726 -5.008 27.135
5 HA3 GLY 1 HA2 GLY 1 62.903 -3.824 26.518
6 H1 81S 2 HN 81S 2 60.520 -2.838 26.756
7 H4 81S 2 HA 81S 2 59.225 -2.823 24.028
8 H5 81S 2 HB2 81S 2 58.036 -2.260 26.740
9 H6 81S 2 HB3 81S 2 57.154 -2.350 25.226
10 H7 81S 2 HG 81S 2 56.544 -4.260 26.309
11 H8 81S 2 HD2 81S 2 57.579 -4.472 23.893
12 H9 81S 2 HD3 81S 2 58.828 -5.399 24.691
13 H ALA 3 HN ALA 3 61.221 -1.014 25.659
14 HA ALA 3 HA ALA 3 60.263 1.418 26.419
15 HB1 ALA 3 HB1 ALA 3 62.616 0.608 26.590
16 HB2 ALA 3 HB2 ALA 3 62.521 2.282 26.010
17 HB3 ALA 3 HB3 ALA 3 62.852 0.968 24.864
18 H SER 4 HN SER 4 60.538 0.490 23.013
19 HA SER 4 HA SER 4 59.200 3.034 22.274
20 HB2 SER 4 HB2 SER 4 61.784 2.724 21.644
21 HB3 SER 4 HB3 SER 4 61.078 1.878 20.259
22 HG SER 4 HG SER 4 60.866 3.874 19.558
23 H ASP 5 HN ASP 5 57.928 0.590 22.944
24 HA ASP 5 HA ASP 5 56.391 0.289 20.426
25 HB2 ASP 5 HB2 ASP 5 57.881 -1.676 20.549
26 HB3 ASP 5 HB3 ASP 5 57.216 -2.091 22.133
27 HA PRO 6 HA PRO 6 53.825 1.691 23.987
28 HB2 PRO 6 HB2 PRO 6 52.098 2.311 21.574
29 HB3 PRO 6 HB3 PRO 6 52.251 3.222 23.113
30 HG2 PRO 6 HG2 PRO 6 53.667 4.052 20.996
31 HG3 PRO 6 HG3 PRO 6 54.494 3.889 22.580
32 HD2 PRO 6 HD2 PRO 6 54.520 1.960 20.241
33 HD3 PRO 6 HD3 PRO 6 55.880 2.515 21.259
34 H ARG 7 HN ARG 7 52.705 -0.414 21.337
35 HA ARG 7 HA ARG 7 50.386 -1.442 22.750
36 HB2 ARG 7 HB2 ARG 7 51.817 -2.436 20.264
37 HB3 ARG 7 HB3 ARG 7 50.295 -3.088 20.860
38 HG2 ARG 7 HG2 ARG 7 50.696 -0.195 19.986
39 HG3 ARG 7 HG3 ARG 7 50.028 -1.482 18.984
40 HD2 ARG 7 HD2 ARG 7 48.134 -1.763 20.531
41 HD3 ARG 7 HD3 ARG 7 48.791 -0.494 21.587
42 HE ARG 7 HE ARG 7 48.567 0.590 18.983
43 HH11 ARG 7 HH12 ARG 7 46.289 -0.514 21.413
44 HH12 ARG 7 HH11 ARG 7 45.065 0.629 20.902
45 HH21 ARG 7 HH21 ARG 7 47.048 2.061 18.469
46 HH22 ARG 7 HH22 ARG 7 45.446 1.956 19.144
47 H CYS 8 HN CYS 8 53.562 -2.039 23.498
48 HA CYS 8 HA CYS 8 52.598 -4.318 25.202
49 HB2 CYS 8 HB2 CYS 8 54.187 -4.991 23.316
50 HB3 CYS 8 HB3 CYS 8 55.398 -4.003 24.086
51 H ALA 9 HN ALA 9 54.437 -1.306 24.924
52 HA ALA 9 HA ALA 9 55.857 -1.422 27.259
53 HB1 ALA 9 HB1 ALA 9 56.051 0.306 25.458
54 HB2 ALA 9 HB2 ALA 9 55.976 1.036 27.069
55 HB3 ALA 9 HB3 ALA 9 54.539 1.046 26.033
56 H TRP 10 HN TRP 10 52.457 -1.126 27.045
57 HA TRP 10 HA TRP 10 51.715 0.412 29.272
58 HB2 TRP 10 HB2 TRP 10 49.506 -0.653 28.874
59 HB3 TRP 10 HB3 TRP 10 50.270 -0.006 27.444
60 HD1 TRP 10 HD1 TRP 10 50.479 -1.507 25.432
61 HE1 TRP 10 HE1 TRP 10 50.005 -3.963 24.872
62 HE3 TRP 10 HE3 TRP 10 49.351 -3.197 30.125
63 HZ2 TRP 10 HZ2 TRP 10 49.248 -6.360 26.276
64 HZ3 TRP 10 HZ3 TRP 10 48.721 -5.580 30.477
65 HH2 TRP 10 HH2 TRP 10 48.696 -7.170 28.578
66 H ARG 11 HN ARG 11 52.925 -2.857 29.394
67 HA ARG 11 HA ARG 11 52.557 -2.673 32.366
68 HB2 ARG 11 HB2 ARG 11 52.094 -5.016 30.560
69 HB3 ARG 11 HB3 ARG 11 52.975 -5.375 32.034
70 HG2 ARG 11 HG2 ARG 11 50.318 -3.909 32.013
71 HG3 ARG 11 HG3 ARG 11 50.489 -5.659 32.190
72 HD2 ARG 11 HD2 ARG 11 51.756 -5.358 34.277
73 HD3 ARG 11 HD3 ARG 11 51.678 -3.599 34.092
74 HE ARG 11 HE ARG 11 49.132 -5.151 34.180
75 HH11 ARG 11 HH11 ARG 11 51.147 -2.914 36.038
76 HH12 ARG 11 HH12 ARG 11 49.692 -2.170 36.717
77 HH21 ARG 11 HH22 ARG 11 47.497 -4.293 35.289
78 HH22 ARG 11 HH21 ARG 11 47.808 -2.931 36.380
79 H CYS 12 HN CYS 12 54.817 -2.512 29.953
80 HA CYS 12 HA CYS 12 57.041 -3.509 31.645
81 HB2 CYS 12 HB2 CYS 12 57.082 -2.362 28.846
82 HB3 CYS 12 HB3 CYS 12 58.446 -3.046 29.718
83 HN1 NH2 13 HN1 NH2 13 55.546 -1.108 32.634
84 HN2 NH2 13 HN2 NH2 13 56.753 0.158 32.688
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 60.997 -6.429 26.988
2 H2 GLY 1 HT2 GLY 1 62.612 -6.583 27.221
3 H3 GLY 1 HT3 GLY 1 61.980 -6.636 25.693
4 HA2 GLY 1 HA1 GLY 1 61.857 -4.275 27.453
5 HA3 GLY 1 HA2 GLY 1 63.113 -4.531 26.228
6 H1 81S 2 HN 81S 2 60.236 -3.054 26.799
7 H4 81S 2 HA 81S 2 59.264 -3.118 23.944
8 H5 81S 2 HB2 81S 2 57.645 -2.879 26.494
9 H6 81S 2 HB3 81S 2 57.027 -3.073 24.872
10 H7 81S 2 HG 81S 2 56.627 -5.103 25.950
11 H8 81S 2 HD2 81S 2 59.038 -5.257 24.137
12 H9 81S 2 HD3 81S 2 58.437 -6.706 24.923
13 H ALA 3 HN ALA 3 60.666 -1.099 25.999
14 HA ALA 3 HA ALA 3 59.156 1.038 26.683
15 HB1 ALA 3 HB1 ALA 3 62.023 1.160 25.642
16 HB2 ALA 3 HB2 ALA 3 61.522 0.710 27.290
17 HB3 ALA 3 HB3 ALA 3 61.249 2.355 26.701
18 H SER 4 HN SER 4 60.324 0.584 23.356
19 HA SER 4 HA SER 4 58.817 3.022 22.489
20 HB2 SER 4 HB2 SER 4 61.410 1.880 21.430
21 HB3 SER 4 HB3 SER 4 60.446 3.083 20.545
22 HG SER 4 HG SER 4 60.832 4.578 22.031
23 H ASP 5 HN ASP 5 58.018 0.028 22.758
24 HA ASP 5 HA ASP 5 56.526 0.114 20.163
25 HB2 ASP 5 HB2 ASP 5 57.999 -1.864 20.355
26 HB3 ASP 5 HB3 ASP 5 57.201 -2.323 21.857
27 HA PRO 6 HA PRO 6 54.066 1.565 23.776
28 HB2 PRO 6 HB2 PRO 6 52.330 2.496 21.472
29 HB3 PRO 6 HB3 PRO 6 52.659 3.313 23.038
30 HG2 PRO 6 HG2 PRO 6 54.049 4.067 20.867
31 HG3 PRO 6 HG3 PRO 6 54.941 3.761 22.396
32 HD2 PRO 6 HD2 PRO 6 54.601 1.927 20.012
33 HD3 PRO 6 HD3 PRO 6 56.077 2.306 20.937
34 H ARG 7 HN ARG 7 52.747 -0.348 21.112
35 HA ARG 7 HA ARG 7 50.283 -1.237 22.301
36 HB2 ARG 7 HB2 ARG 7 52.070 -2.786 20.382
37 HB3 ARG 7 HB3 ARG 7 50.331 -2.962 20.603
38 HG2 ARG 7 HG2 ARG 7 51.788 -0.602 19.340
39 HG3 ARG 7 HG3 ARG 7 50.810 -1.813 18.520
40 HD2 ARG 7 HD2 ARG 7 48.805 -1.023 19.721
41 HD3 ARG 7 HD3 ARG 7 49.771 0.230 20.536
42 HE ARG 7 HE ARG 7 50.120 0.429 17.704
43 HH11 ARG 7 HH12 ARG 7 47.780 1.296 20.169
44 HH12 ARG 7 HH11 ARG 7 47.041 2.518 19.168
45 HH21 ARG 7 HH22 ARG 7 48.973 1.734 16.397
46 HH22 ARG 7 HH21 ARG 7 47.665 2.712 17.002
47 H CYS 8 HN CYS 8 53.474 -1.946 23.156
48 HA CYS 8 HA CYS 8 52.816 -4.343 24.840
49 HB2 CYS 8 HB2 CYS 8 54.240 -4.323 22.570
50 HB3 CYS 8 HB3 CYS 8 55.467 -3.631 23.563
51 H ALA 9 HN ALA 9 53.666 -1.079 25.073
52 HA ALA 9 HA ALA 9 55.716 -1.458 27.094
53 HB1 ALA 9 HB1 ALA 9 55.996 0.943 26.885
54 HB2 ALA 9 HB2 ALA 9 54.447 1.091 26.029
55 HB3 ALA 9 HB3 ALA 9 55.812 0.249 25.269
56 H TRP 10 HN TRP 10 52.381 -1.446 27.324
57 HA TRP 10 HA TRP 10 51.870 0.444 29.376
58 HB2 TRP 10 HB2 TRP 10 49.621 -0.758 29.409
59 HB3 TRP 10 HB3 TRP 10 50.143 0.018 27.926
60 HD1 TRP 10 HD1 TRP 10 50.530 -1.438 25.819
61 HE1 TRP 10 HE1 TRP 10 50.081 -3.887 25.207
62 HE3 TRP 10 HE3 TRP 10 49.427 -3.247 30.484
63 HZ2 TRP 10 HZ2 TRP 10 49.270 -6.312 26.554
64 HZ3 TRP 10 HZ3 TRP 10 48.788 -5.634 30.778
65 HH2 TRP 10 HH2 TRP 10 48.703 -7.165 28.832
66 H ARG 11 HN ARG 11 52.953 -2.859 29.746
67 HA ARG 11 HA ARG 11 52.947 -2.387 32.712
68 HB2 ARG 11 HB2 ARG 11 52.179 -4.801 31.086
69 HB3 ARG 11 HB3 ARG 11 53.144 -5.113 32.518
70 HG2 ARG 11 HG2 ARG 11 50.578 -3.468 32.587
71 HG3 ARG 11 HG3 ARG 11 50.660 -5.217 32.836
72 HD2 ARG 11 HD2 ARG 11 52.341 -4.797 34.683
73 HD3 ARG 11 HD3 ARG 11 51.973 -3.073 34.562
74 HE ARG 11 HE ARG 11 49.487 -4.045 34.899
75 HH11 ARG 11 HH12 ARG 11 52.390 -4.685 36.775
76 HH12 ARG 11 HH11 ARG 11 51.483 -5.562 37.998
77 HH21 ARG 11 HH22 ARG 11 48.405 -4.912 36.602
78 HH22 ARG 11 HH21 ARG 11 49.275 -5.523 37.997
79 H CYS 12 HN CYS 12 54.899 -3.382 29.912
80 HA CYS 12 HA CYS 12 57.170 -4.220 31.375
81 HB2 CYS 12 HB2 CYS 12 57.014 -2.801 28.707
82 HB3 CYS 12 HB3 CYS 12 58.496 -3.469 29.397
83 HN1 NH2 13 HN1 NH2 13 59.096 -3.241 32.143
84 HN2 NH2 13 HN2 NH2 13 59.182 -1.528 32.469