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 |
|
|
3785 |
1e75   |
4846 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -16.873 -16.488 4.116
2 H2 GLY 1 H2 GLY 1 -16.507 -17.273 2.715
3 H3 GLY 1 H3 GLY 1 -16.027 -17.904 4.158
4 1HA GLY 1 2HA GLY 1 -14.173 -16.897 3.045
5 2HA GLY 1 1HA GLY 1 -14.572 -16.066 4.559
6 H CYS 2 H CYS 2 -13.233 -14.418 3.322
7 HA CYS 2 HA CYS 2 -14.756 -12.203 2.969
8 1HB CYS 2 1HB CYS 2 -11.914 -12.956 2.637
9 2HB CYS 2 2HB CYS 2 -12.401 -11.588 1.657
10 H CYS 3 H CYS 3 -14.056 -14.438 0.304
11 HA CYS 3 HA CYS 3 -14.435 -12.477 -1.774
12 1HB CYS 3 1HB CYS 3 -14.486 -15.464 -1.846
13 2HB CYS 3 2HB CYS 3 -14.769 -14.417 -3.226
14 H SER 4 H SER 4 -16.573 -12.692 0.448
15 HA SER 4 HA SER 4 -18.990 -13.150 -1.203
16 1HB SER 4 1HB SER 4 -20.152 -13.197 0.974
17 2HB SER 4 2HB SER 4 -19.100 -14.565 0.652
18 HG SER 4 HG SER 4 -17.617 -13.850 2.103
19 H ASP 5 H ASP 5 -17.953 -10.905 1.553
20 HA ASP 5 HA ASP 5 -19.672 -8.884 0.537
21 1HB ASP 5 1HB ASP 5 -18.623 -7.521 2.315
22 2HB ASP 5 2HB ASP 5 -19.420 -8.974 2.871
23 HA PRO 6 HA PRO 6 -16.731 -7.535 -2.426
24 1HB PRO 6 1HB PRO 6 -17.775 -5.131 -3.243
25 2HB PRO 6 2HB PRO 6 -18.502 -6.722 -3.627
26 1HG PRO 6 2HG PRO 6 -19.239 -4.845 -1.359
27 2HG PRO 6 1HG PRO 6 -20.338 -5.609 -2.534
28 1HD PRO 6 1HD PRO 6 -19.940 -6.699 -0.086
29 2HD PRO 6 2HD PRO 6 -20.086 -7.748 -1.531
30 H LEU 7 H LEU 7 -17.184 -5.880 0.502
31 HA LEU 7 HA LEU 7 -15.199 -3.844 0.325
32 1HB LEU 7 1HB LEU 7 -16.395 -5.450 2.651
33 2HB LEU 7 2HB LEU 7 -15.273 -4.122 2.853
34 HG LEU 7 HG LEU 7 -16.884 -2.589 1.719
35 1HD1 LEU 7 1HD1 LEU 7 -18.743 -4.988 1.889
36 2HD1 LEU 7 2HD1 LEU 7 -19.325 -3.313 1.779
37 3HD1 LEU 7 3HD1 LEU 7 -18.356 -3.967 0.473
38 1HD2 LEU 7 1HD2 LEU 7 -16.651 -2.770 4.192
39 2HD2 LEU 7 2HD2 LEU 7 -18.319 -2.392 3.743
40 3HD2 LEU 7 3HD2 LEU 7 -17.886 -4.047 4.204
41 H CYS 8 H CYS 8 -15.057 -7.345 0.741
42 HA CYS 8 HA CYS 8 -12.129 -7.170 1.257
43 1HB CYS 8 1HB CYS 8 -13.647 -7.956 3.145
44 2HB CYS 8 2HB CYS 8 -13.978 -9.373 2.153
45 H ALA 9 H ALA 9 -14.568 -8.264 -0.765
46 HA ALA 9 HA ALA 9 -13.686 -10.720 -1.465
47 1HB ALA 9 1HB ALA 9 -15.180 -10.637 -3.431
48 2HB ALA 9 2HB ALA 9 -15.947 -9.881 -2.033
49 3HB ALA 9 3HB ALA 9 -15.233 -8.871 -3.326
50 H TRP 10 H TRP 10 -12.197 -7.785 -2.829
51 HA TRP 10 HA TRP 10 -11.419 -8.821 -5.260
52 1HB TRP 10 1HB TRP 10 -10.098 -6.986 -5.397
53 2HB TRP 10 2HB TRP 10 -11.274 -6.444 -4.249
54 HD1 TRP 10 HD1 TRP 10 -9.959 -7.421 -1.525
55 HE1 TRP 10 HE1 TRP 10 -7.730 -6.414 -0.690
56 HE3 TRP 10 HE3 TRP 10 -8.174 -5.562 -5.957
57 HZ2 TRP 10 HZ2 TRP 10 -5.605 -4.831 -1.760
58 HZ3 TRP 10 HZ3 TRP 10 -6.053 -4.270 -6.012
59 HH2 TRP 10 HH2 TRP 10 -4.780 -3.867 -3.902
60 H ARG 11 H ARG 11 -10.217 -9.673 -2.163
61 HA ARG 11 HA ARG 11 -8.364 -11.648 -3.231
62 1HB ARG 11 1HB ARG 11 -7.164 -9.377 -3.431
63 2HB ARG 11 2HB ARG 11 -7.135 -9.298 -1.688
64 1HG ARG 11 1HG ARG 11 -5.405 -10.795 -1.556
65 2HG ARG 11 2HG ARG 11 -6.136 -11.880 -2.733
66 1HD ARG 11 1HD ARG 11 -4.158 -11.219 -3.762
67 2HD ARG 11 2HD ARG 11 -5.378 -10.248 -4.567
68 HE ARG 11 HE ARG 11 -3.395 -9.387 -2.508
69 1HH1 ARG 11 1HH1 ARG 11 -2.446 -7.338 -2.846
70 2HH1 ARG 11 2HH1 ARG 11 -3.230 -6.156 -3.850
71 1HH2 ARG 11 1HH2 ARG 11 -5.885 -8.242 -4.858
72 2HH2 ARG 11 2HH2 ARG 11 -5.318 -6.623 -4.753
73 H CYS 12 H CYS 12 -10.353 -12.537 -1.852
74 HA CYS 12 HA CYS 12 -9.689 -12.692 0.990
75 1HB CYS 12 2HB CYS 12 -11.132 -14.536 1.114
76 2HB CYS 12 1HB CYS 12 -11.907 -13.286 0.154
No H/Q in entry = 76
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 -17.679 -13.755 5.406
2 H2 GLY 1 H2 GLY 1 -18.014 -15.338 5.748
3 H3 GLY 1 H3 GLY 1 -16.662 -14.617 6.374
4 1HA GLY 1 2HA GLY 1 -17.186 -15.143 3.552
5 2HA GLY 1 1HA GLY 1 -16.051 -16.047 4.554
6 H CYS 2 H CYS 2 -15.332 -14.597 2.151
7 HA CYS 2 HA CYS 2 -14.636 -11.909 2.899
8 1HB CYS 2 1HB CYS 2 -12.609 -13.113 3.560
9 2HB CYS 2 2HB CYS 2 -12.410 -13.726 1.923
10 H CYS 3 H CYS 3 -14.203 -14.459 0.358
11 HA CYS 3 HA CYS 3 -14.405 -12.886 -1.924
12 1HB CYS 3 1HB CYS 3 -15.461 -15.624 -1.267
13 2HB CYS 3 2HB CYS 3 -15.585 -14.935 -2.867
14 H SER 4 H SER 4 -16.870 -13.730 0.414
15 HA SER 4 HA SER 4 -19.228 -13.144 -1.067
16 1HB SER 4 1HB SER 4 -20.194 -13.339 1.212
17 2HB SER 4 2HB SER 4 -19.379 -14.730 0.532
18 HG SER 4 HG SER 4 -18.460 -13.054 2.637
19 H ASP 5 H ASP 5 -17.078 -10.894 0.932
20 HA ASP 5 HA ASP 5 -19.274 -9.012 0.842
21 1HB ASP 5 1HB ASP 5 -18.228 -7.986 2.615
22 2HB ASP 5 2HB ASP 5 -18.674 -9.611 3.070
23 HA PRO 6 HA PRO 6 -16.495 -7.413 -2.286
24 1HB PRO 6 1HB PRO 6 -17.916 -5.190 -3.090
25 2HB PRO 6 2HB PRO 6 -18.312 -6.873 -3.553
26 1HG PRO 6 1HG PRO 6 -19.488 -5.237 -1.298
27 2HG PRO 6 2HG PRO 6 -20.360 -6.214 -2.524
28 1HD PRO 6 1HD PRO 6 -19.864 -7.152 -0.041
29 2HD PRO 6 2HD PRO 6 -19.767 -8.233 -1.467
30 H LEU 7 H LEU 7 -16.709 -6.289 0.779
31 HA LEU 7 HA LEU 7 -14.997 -3.911 0.433
32 1HB LEU 7 1HB LEU 7 -15.941 -5.535 2.814
33 2HB LEU 7 2HB LEU 7 -14.650 -4.349 2.968
34 HG LEU 7 HG LEU 7 -17.340 -3.592 1.786
35 1HD1 LEU 7 1HD1 LEU 7 -16.486 -3.475 4.710
36 2HD1 LEU 7 2HD1 LEU 7 -17.961 -2.764 4.028
37 3HD1 LEU 7 3HD1 LEU 7 -17.761 -4.512 4.006
38 1HD2 LEU 7 1HD2 LEU 7 -15.479 -1.995 1.384
39 2HD2 LEU 7 2HD2 LEU 7 -16.698 -1.320 2.463
40 3HD2 LEU 7 3HD2 LEU 7 -15.166 -1.925 3.130
41 H CYS 8 H CYS 8 -14.680 -7.491 0.802
42 HA CYS 8 HA CYS 8 -11.802 -7.075 0.283
43 1HB CYS 8 1HB CYS 8 -11.091 -8.573 1.868
44 2HB CYS 8 2HB CYS 8 -12.236 -7.550 2.708
45 H ALA 9 H ALA 9 -14.532 -8.271 -1.084
46 HA ALA 9 HA ALA 9 -14.077 -10.775 -1.817
47 1HB ALA 9 1HB ALA 9 -15.266 -10.363 -3.950
48 2HB ALA 9 3HB ALA 9 -16.033 -9.563 -2.576
49 3HB ALA 9 2HB ALA 9 -15.049 -8.612 -3.727
50 H TRP 10 H TRP 10 -12.592 -8.162 -3.963
51 HA TRP 10 HA TRP 10 -11.050 -9.994 -5.404
52 1HB TRP 10 1HB TRP 10 -10.125 -8.122 -6.321
53 2HB TRP 10 2HB TRP 10 -11.628 -7.477 -5.755
54 HD1 TRP 10 HD1 TRP 10 -11.428 -5.958 -3.385
55 HE1 TRP 10 HE1 TRP 10 -9.508 -4.409 -2.607
56 HE3 TRP 10 HE3 TRP 10 -7.649 -7.762 -6.335
57 HZ2 TRP 10 HZ2 TRP 10 -6.678 -4.172 -3.033
58 HZ3 TRP 10 HZ3 TRP 10 -5.381 -6.786 -6.200
59 HH2 TRP 10 HH2 TRP 10 -4.884 -4.972 -4.564
60 H ARG 11 H ARG 11 -10.669 -9.051 -2.153
61 HA ARG 11 HA ARG 11 -7.756 -9.355 -1.958
62 1HB ARG 11 1HB ARG 11 -9.676 -7.909 -0.548
63 2HB ARG 11 2HB ARG 11 -9.412 -9.276 0.517
64 1HG ARG 11 1HG ARG 11 -7.176 -7.475 -0.532
65 2HG ARG 11 2HG ARG 11 -8.118 -7.148 0.914
66 1HD ARG 11 2HD ARG 11 -6.276 -8.184 1.818
67 2HD ARG 11 1HD ARG 11 -7.446 -9.488 1.736
68 HE ARG 11 HE ARG 11 -6.318 -10.440 -0.122
69 1HH1 ARG 11 1HH1 ARG 11 -4.309 -10.933 -1.205
70 2HH1 ARG 11 2HH1 ARG 11 -2.977 -9.849 -1.021
71 1HH2 ARG 11 1HH2 ARG 11 -4.487 -7.781 1.397
72 2HH2 ARG 11 2HH2 ARG 11 -3.022 -8.123 0.579
73 H CYS 12 H CYS 12 -10.658 -11.275 -1.775
74 HA CYS 12 HA CYS 12 -9.519 -13.615 -0.450
75 1HB CYS 12 1HB CYS 12 -11.959 -12.877 -0.483
76 2HB CYS 12 2HB CYS 12 -11.976 -13.263 -2.193
No H/Q in entry = 76
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 -17.567 -15.339 5.263
2 H2 GLY 1 H2 GLY 1 -18.049 -16.118 3.907
3 H3 GLY 1 H3 GLY 1 -17.348 -16.970 5.128
4 1HA GLY 1 2HA GLY 1 -15.802 -16.647 3.311
5 2HA GLY 1 1HA GLY 1 -15.273 -15.877 4.814
6 H CYS 2 H CYS 2 -14.073 -14.281 3.956
7 HA CYS 2 HA CYS 2 -15.295 -11.808 3.188
8 1HB CYS 2 1HB CYS 2 -12.688 -12.847 3.975
9 2HB CYS 2 2HB CYS 2 -12.506 -11.840 2.565
10 H CYS 3 H CYS 3 -14.614 -14.521 1.251
11 HA CYS 3 HA CYS 3 -14.092 -13.239 -1.282
12 1HB CYS 3 1HB CYS 3 -15.270 -15.864 -0.431
13 2HB CYS 3 2HB CYS 3 -15.161 -15.401 -2.115
14 H SER 4 H SER 4 -16.965 -13.347 0.742
15 HA SER 4 HA SER 4 -18.755 -13.390 -1.583
16 1HB SER 4 1HB SER 4 -20.533 -13.563 0.087
17 2HB SER 4 2HB SER 4 -19.313 -14.829 0.209
18 HG SER 4 HG SER 4 -18.377 -13.581 1.983
19 H ASP 5 H ASP 5 -17.617 -10.843 0.747
20 HA ASP 5 HA ASP 5 -19.526 -9.002 -0.425
21 1HB ASP 5 1HB ASP 5 -19.369 -7.887 1.600
22 2HB ASP 5 2HB ASP 5 -19.705 -9.565 1.959
23 HA PRO 6 HA PRO 6 -16.073 -7.252 -2.467
24 1HB PRO 6 1HB PRO 6 -17.002 -4.729 -3.134
25 2HB PRO 6 2HB PRO 6 -17.533 -6.243 -3.921
26 1HG PRO 6 1HG PRO 6 -18.854 -4.745 -1.643
27 2HG PRO 6 2HG PRO 6 -19.616 -5.381 -3.140
28 1HD PRO 6 1HD PRO 6 -19.725 -6.731 -0.793
29 2HD PRO 6 2HD PRO 6 -19.493 -7.610 -2.336
30 H LEU 7 H LEU 7 -16.772 -6.239 0.665
31 HA LEU 7 HA LEU 7 -14.833 -4.055 0.752
32 1HB LEU 7 1HB LEU 7 -15.958 -5.827 2.951
33 2HB LEU 7 2HB LEU 7 -14.940 -4.426 3.227
34 HG LEU 7 HG LEU 7 -17.614 -4.256 1.788
35 1HD1 LEU 7 1HD1 LEU 7 -17.943 -5.107 4.091
36 2HD1 LEU 7 2HD1 LEU 7 -17.090 -3.675 4.721
37 3HD1 LEU 7 3HD1 LEU 7 -18.620 -3.490 3.849
38 1HD2 LEU 7 1HD2 LEU 7 -15.849 -2.142 3.102
39 2HD2 LEU 7 2HD2 LEU 7 -16.127 -2.343 1.354
40 3HD2 LEU 7 3HD2 LEU 7 -17.460 -1.850 2.402
41 H CYS 8 H CYS 8 -14.724 -7.650 0.837
42 HA CYS 8 HA CYS 8 -11.788 -7.324 0.808
43 1HB CYS 8 1HB CYS 8 -12.141 -9.823 1.824
44 2HB CYS 8 2HB CYS 8 -11.703 -8.382 2.746
45 H ALA 9 H ALA 9 -14.506 -8.719 -0.593
46 HA ALA 9 HA ALA 9 -13.495 -11.042 -1.693
47 1HB ALA 9 1HB ALA 9 -15.264 -10.967 -3.357
48 2HB ALA 9 2HB ALA 9 -15.872 -10.445 -1.786
49 3HB ALA 9 3HB ALA 9 -15.524 -9.242 -3.054
50 H TRP 10 H TRP 10 -12.921 -7.805 -2.834
51 HA TRP 10 HA TRP 10 -11.568 -8.089 -5.192
52 1HB TRP 10 1HB TRP 10 -10.719 -6.023 -4.707
53 2HB TRP 10 2HB TRP 10 -12.280 -6.058 -3.930
54 HD1 TRP 10 HD1 TRP 10 -12.395 -5.662 -1.424
55 HE1 TRP 10 HE1 TRP 10 -10.840 -4.741 0.326
56 HE3 TRP 10 HE3 TRP 10 -7.962 -6.156 -3.972
57 HZ2 TRP 10 HZ2 TRP 10 -8.029 -4.019 0.516
58 HZ3 TRP 10 HZ3 TRP 10 -5.874 -5.263 -3.003
59 HH2 TRP 10 HH2 TRP 10 -5.887 -4.176 -0.767
60 H ARG 11 H ARG 11 -10.563 -9.603 -2.316
61 HA ARG 11 HA ARG 11 -8.395 -10.929 -3.705
62 1HB ARG 11 1HB ARG 11 -6.614 -10.330 -2.092
63 2HB ARG 11 2HB ARG 11 -7.140 -8.950 -3.050
64 1HG ARG 11 1HG ARG 11 -8.514 -8.127 -1.165
65 2HG ARG 11 2HG ARG 11 -8.059 -9.547 -0.210
66 1HD ARG 11 1HD ARG 11 -5.713 -8.855 -0.208
67 2HD ARG 11 2HD ARG 11 -6.078 -7.527 -1.312
68 HE ARG 11 HE ARG 11 -6.850 -6.269 0.388
69 1HH1 ARG 11 1HH1 ARG 11 -7.447 -5.741 2.563
70 2HH1 ARG 11 2HH1 ARG 11 -7.566 -7.000 3.750
71 1HH2 ARG 11 1HH2 ARG 11 -6.671 -9.634 1.622
72 2HH2 ARG 11 2HH2 ARG 11 -7.520 -9.231 3.088
73 H CYS 12 H CYS 12 -10.984 -11.426 -2.198
74 HA CYS 12 HA CYS 12 -11.943 -12.366 -0.380
75 1HB CYS 12 1HB CYS 12 -10.932 -14.251 -1.789
76 2HB CYS 12 2HB CYS 12 -9.716 -14.397 -0.528
No H/Q in entry = 76
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 -18.698 -14.165 2.875
2 H2 GLY 1 H2 GLY 1 -18.933 -14.770 4.402
3 H3 GLY 1 H3 GLY 1 -18.618 -13.166 4.186
4 1HA GLY 1 2HA GLY 1 -16.760 -15.357 3.619
5 2HA GLY 1 1HA GLY 1 -16.680 -14.223 4.996
6 H CYS 2 H CYS 2 -14.463 -13.791 3.962
7 HA CYS 2 HA CYS 2 -14.430 -11.260 2.891
8 1HB CYS 2 1HB CYS 2 -12.506 -13.383 3.388
9 2HB CYS 2 2HB CYS 2 -12.091 -12.517 1.925
10 H CYS 3 H CYS 3 -14.283 -14.334 1.043
11 HA CYS 3 HA CYS 3 -13.880 -13.017 -1.466
12 1HB CYS 3 1HB CYS 3 -13.358 -15.419 -0.812
13 2HB CYS 3 2HB CYS 3 -15.062 -15.729 -1.114
14 H SER 4 H SER 4 -16.828 -13.256 0.400
15 HA SER 4 HA SER 4 -18.453 -12.912 -2.061
16 1HB SER 4 1HB SER 4 -20.356 -13.341 -0.723
17 2HB SER 4 2HB SER 4 -19.199 -14.659 -0.524
18 HG SER 4 HG SER 4 -20.198 -12.795 1.239
19 H ASP 5 H ASP 5 -17.669 -11.354 1.111
20 HA ASP 5 HA ASP 5 -19.460 -9.239 0.737
21 1HB ASP 5 1HB ASP 5 -18.715 -8.382 2.701
22 2HB ASP 5 2HB ASP 5 -18.548 -10.105 2.870
23 HA PRO 6 HA PRO 6 -17.340 -6.998 -2.200
24 1HB PRO 6 1HB PRO 6 -18.444 -4.524 -2.148
25 2HB PRO 6 2HB PRO 6 -19.458 -5.976 -2.435
26 1HG PRO 6 2HG PRO 6 -19.014 -4.532 0.189
27 2HG PRO 6 1HG PRO 6 -20.575 -5.000 -0.558
28 1HD PRO 6 1HD PRO 6 -19.302 -6.544 1.329
29 2HD PRO 6 2HD PRO 6 -20.259 -7.267 0.005
30 H LEU 7 H LEU 7 -16.665 -6.237 1.036
31 HA LEU 7 HA LEU 7 -14.682 -4.173 0.311
32 1HB LEU 7 2HB LEU 7 -14.441 -3.611 2.550
33 2HB LEU 7 1HB LEU 7 -16.130 -3.505 2.122
34 HG LEU 7 HG LEU 7 -15.091 -5.946 3.596
35 1HD1 LEU 7 1HD1 LEU 7 -14.323 -3.916 4.806
36 2HD1 LEU 7 2HD1 LEU 7 -15.985 -3.329 4.864
37 3HD1 LEU 7 3HD1 LEU 7 -15.550 -4.830 5.714
38 1HD2 LEU 7 1HD2 LEU 7 -17.490 -5.918 2.739
39 2HD2 LEU 7 2HD2 LEU 7 -17.388 -5.996 4.495
40 3HD2 LEU 7 3HD2 LEU 7 -17.776 -4.455 3.694
41 H CYS 8 H CYS 8 -14.873 -7.484 0.363
42 HA CYS 8 HA CYS 8 -11.931 -7.604 0.569
43 1HB CYS 8 1HB CYS 8 -13.115 -8.154 2.754
44 2HB CYS 8 2HB CYS 8 -13.741 -9.569 1.938
45 H ALA 9 H ALA 9 -14.629 -8.396 -1.247
46 HA ALA 9 HA ALA 9 -14.063 -10.917 -2.233
47 1HB ALA 9 1HB ALA 9 -15.341 -10.262 -4.259
48 2HB ALA 9 3HB ALA 9 -16.145 -9.761 -2.766
49 3HB ALA 9 2HB ALA 9 -15.265 -8.561 -3.752
50 H TRP 10 H TRP 10 -12.497 -7.837 -3.290
51 HA TRP 10 HA TRP 10 -10.996 -8.895 -5.381
52 1HB TRP 10 1HB TRP 10 -9.783 -6.941 -5.161
53 2HB TRP 10 2HB TRP 10 -11.340 -6.475 -4.543
54 HD1 TRP 10 HD1 TRP 10 -11.472 -6.305 -1.765
55 HE1 TRP 10 HE1 TRP 10 -9.738 -5.466 -0.117
56 HE3 TRP 10 HE3 TRP 10 -7.280 -6.698 -4.701
57 HZ2 TRP 10 HZ2 TRP 10 -6.855 -5.200 0.029
58 HZ3 TRP 10 HZ3 TRP 10 -5.077 -6.014 -3.800
59 HH2 TRP 10 HH2 TRP 10 -4.841 -5.306 -1.437
60 H ARG 11 H ARG 11 -10.634 -9.243 -1.983
61 HA ARG 11 HA ARG 11 -7.840 -10.107 -1.978
62 1HB ARG 11 1HB ARG 11 -9.360 -8.831 -0.140
63 2HB ARG 11 2HB ARG 11 -9.650 -10.482 0.388
64 1HG ARG 11 1HG ARG 11 -6.933 -9.124 0.155
65 2HG ARG 11 2HG ARG 11 -7.896 -9.312 1.614
66 1HD ARG 11 2HD ARG 11 -6.511 -11.078 1.939
67 2HD ARG 11 1HD ARG 11 -7.777 -11.899 1.059
68 HE ARG 11 HE ARG 11 -6.318 -12.280 -0.686
69 1HH1 ARG 11 1HH1 ARG 11 -4.226 -12.430 -1.541
70 2HH1 ARG 11 2HH1 ARG 11 -2.923 -11.398 -0.980
71 1HH2 ARG 11 1HH2 ARG 11 -4.956 -9.765 1.430
72 2HH2 ARG 11 2HH2 ARG 11 -3.360 -9.869 0.761
73 H CYS 12 H CYS 12 -11.021 -11.468 -1.489
74 HA CYS 12 HA CYS 12 -11.791 -13.487 -0.821
75 1HB CYS 12 1HB CYS 12 -10.078 -14.384 -3.139
76 2HB CYS 12 2HB CYS 12 -11.123 -15.472 -2.241
No H/Q in entry = 76
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 -17.084 -14.813 5.113
2 H2 GLY 1 H2 GLY 1 -17.789 -15.788 3.989
3 H3 GLY 1 H3 GLY 1 -17.040 -16.450 5.299
4 1HA GLY 1 2HA GLY 1 -15.637 -16.655 3.319
5 2HA GLY 1 1HA GLY 1 -14.920 -15.689 4.597
6 H CYS 2 H CYS 2 -13.808 -14.170 3.619
7 HA CYS 2 HA CYS 2 -15.156 -11.868 2.972
8 1HB CYS 2 1HB CYS 2 -12.340 -12.772 3.031
9 2HB CYS 2 2HB CYS 2 -12.648 -11.465 1.915
10 H CYS 3 H CYS 3 -14.384 -14.376 0.597
11 HA CYS 3 HA CYS 3 -14.327 -12.557 -1.650
12 1HB CYS 3 1HB CYS 3 -14.429 -15.517 -1.412
13 2HB CYS 3 2HB CYS 3 -14.895 -14.723 -2.915
14 H SER 4 H SER 4 -16.914 -13.518 0.360
15 HA SER 4 HA SER 4 -18.965 -13.320 -1.745
16 1HB SER 4 1HB SER 4 -20.537 -13.727 0.089
17 2HB SER 4 2HB SER 4 -19.308 -14.982 -0.072
18 HG SER 4 HG SER 4 -18.165 -13.943 1.690
19 H ASP 5 H ASP 5 -18.276 -11.535 1.344
20 HA ASP 5 HA ASP 5 -19.951 -9.344 0.671
21 1HB ASP 5 1HB ASP 5 -18.891 -8.371 2.748
22 2HB ASP 5 2HB ASP 5 -19.854 -9.825 2.927
23 HA PRO 6 HA PRO 6 -16.743 -7.386 -1.745
24 1HB PRO 6 1HB PRO 6 -17.930 -4.963 -2.264
25 2HB PRO 6 2HB PRO 6 -18.433 -6.490 -3.054
26 1HG PRO 6 2HG PRO 6 -19.669 -5.160 -0.623
27 2HG PRO 6 1HG PRO 6 -20.494 -5.781 -2.095
28 1HD PRO 6 1HD PRO 6 -20.323 -7.262 0.175
29 2HD PRO 6 2HD PRO 6 -20.164 -8.031 -1.435
30 H LEU 7 H LEU 7 -15.518 -5.376 -1.662
31 HA LEU 7 HA LEU 7 -14.127 -3.858 -0.704
32 1HB LEU 7 1HB LEU 7 -15.553 -4.127 1.960
33 2HB LEU 7 2HB LEU 7 -14.285 -3.001 1.557
34 HG LEU 7 HG LEU 7 -17.087 -3.021 0.372
35 1HD1 LEU 7 1HD1 LEU 7 -16.938 -2.216 2.705
36 2HD1 LEU 7 2HD1 LEU 7 -15.672 -1.065 2.237
37 3HD1 LEU 7 3HD1 LEU 7 -17.321 -0.892 1.595
38 1HD2 LEU 7 1HD2 LEU 7 -14.694 -1.221 -0.208
39 2HD2 LEU 7 2HD2 LEU 7 -15.599 -2.234 -1.362
40 3HD2 LEU 7 3HD2 LEU 7 -16.371 -0.827 -0.643
41 H CYS 8 H CYS 8 -14.772 -6.978 0.530
42 HA CYS 8 HA CYS 8 -11.886 -7.245 1.258
43 1HB CYS 8 1HB CYS 8 -13.704 -7.653 3.029
44 2HB CYS 8 2HB CYS 8 -14.062 -9.123 2.113
45 H ALA 9 H ALA 9 -14.391 -8.359 -0.682
46 HA ALA 9 HA ALA 9 -13.415 -10.829 -1.427
47 1HB ALA 9 1HB ALA 9 -15.021 -10.705 -3.333
48 2HB ALA 9 2HB ALA 9 -15.735 -10.082 -1.826
49 3HB ALA 9 3HB ALA 9 -15.156 -8.955 -3.076
50 H TRP 10 H TRP 10 -12.201 -7.816 -2.646
51 HA TRP 10 HA TRP 10 -11.424 -8.467 -5.186
52 1HB TRP 10 1HB TRP 10 -10.151 -6.546 -5.052
53 2HB TRP 10 2HB TRP 10 -11.313 -6.261 -3.781
54 HD1 TRP 10 HD1 TRP 10 -10.374 -6.307 -1.223
55 HE1 TRP 10 HE1 TRP 10 -8.001 -6.112 -0.257
56 HE3 TRP 10 HE3 TRP 10 -7.683 -7.122 -5.502
57 HZ2 TRP 10 HZ2 TRP 10 -5.308 -6.233 -1.228
58 HZ3 TRP 10 HZ3 TRP 10 -5.216 -7.073 -5.458
59 HH2 TRP 10 HH2 TRP 10 -4.004 -6.643 -3.327
60 H ARG 11 H ARG 11 -9.964 -9.402 -2.217
61 HA ARG 11 HA ARG 11 -8.627 -11.675 -3.336
62 1HB ARG 11 1HB ARG 11 -6.957 -9.897 -3.907
63 2HB ARG 11 2HB ARG 11 -6.797 -9.484 -2.214
64 1HG ARG 11 1HG ARG 11 -6.198 -12.263 -3.357
65 2HG ARG 11 2HG ARG 11 -5.028 -10.954 -3.270
66 1HD ARG 11 1HD ARG 11 -5.565 -10.857 -0.745
67 2HD ARG 11 2HD ARG 11 -6.215 -12.485 -0.967
68 HE ARG 11 HE ARG 11 -3.476 -11.504 -1.150
69 1HH1 ARG 11 1HH1 ARG 11 -1.767 -13.013 -1.073
70 2HH1 ARG 11 2HH1 ARG 11 -1.990 -14.670 -1.474
71 1HH2 ARG 11 1HH2 ARG 11 -5.554 -14.345 -1.791
72 2HH2 ARG 11 2HH2 ARG 11 -4.220 -15.459 -1.871
73 H CYS 12 H CYS 12 -10.247 -12.433 -1.804
74 HA CYS 12 HA CYS 12 -10.426 -11.594 0.868
75 1HB CYS 12 1HB CYS 12 -11.890 -13.545 1.062
76 2HB CYS 12 2HB CYS 12 -12.210 -12.583 -0.382
No H/Q in entry = 76
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 -17.397 -13.879 4.837
2 H2 GLY 1 H2 GLY 1 -17.481 -15.277 3.974
3 H3 GLY 1 H3 GLY 1 -17.262 -15.334 5.608
4 1HA GLY 1 2HA GLY 1 -15.192 -15.764 4.409
5 2HA GLY 1 1HA GLY 1 -15.132 -14.317 5.441
6 H CYS 2 H CYS 2 -13.656 -13.156 4.262
7 HA CYS 2 HA CYS 2 -14.530 -11.089 3.112
8 1HB CYS 2 1HB CYS 2 -11.948 -12.592 3.003
9 2HB CYS 2 2HB CYS 2 -12.092 -11.236 1.916
10 H CYS 3 H CYS 3 -13.468 -13.750 0.963
11 HA CYS 3 HA CYS 3 -13.576 -12.464 -1.467
12 1HB CYS 3 1HB CYS 3 -14.331 -15.300 -0.812
13 2HB CYS 3 2HB CYS 3 -14.049 -14.690 -2.430
14 H SER 4 H SER 4 -16.461 -13.598 0.385
15 HA SER 4 HA SER 4 -18.136 -13.500 -2.013
16 1HB SER 4 1HB SER 4 -19.950 -13.947 -0.385
17 2HB SER 4 2HB SER 4 -18.739 -15.195 -0.655
18 HG SER 4 HG SER 4 -19.157 -13.628 1.640
19 H ASP 5 H ASP 5 -17.147 -11.035 0.438
20 HA ASP 5 HA ASP 5 -19.608 -9.599 -0.100
21 1HB ASP 5 1HB ASP 5 -19.455 -8.806 1.946
22 2HB ASP 5 2HB ASP 5 -18.927 -10.439 2.132
23 HA PRO 6 HA PRO 6 -17.313 -6.698 -2.441
24 1HB PRO 6 1HB PRO 6 -18.846 -4.432 -2.388
25 2HB PRO 6 2HB PRO 6 -19.410 -5.955 -3.125
26 1HG PRO 6 2HG PRO 6 -19.948 -4.950 -0.303
27 2HG PRO 6 1HG PRO 6 -21.144 -5.493 -1.516
28 1HD PRO 6 1HD PRO 6 -20.215 -7.174 0.403
29 2HD PRO 6 2HD PRO 6 -20.514 -7.764 -1.260
30 H LEU 7 H LEU 7 -17.299 -6.364 0.918
31 HA LEU 7 HA LEU 7 -15.690 -3.868 0.859
32 1HB LEU 7 1HB LEU 7 -16.921 -5.330 3.211
33 2HB LEU 7 2HB LEU 7 -15.944 -3.874 3.289
34 HG LEU 7 HG LEU 7 -18.620 -4.019 1.816
35 1HD1 LEU 7 1HD1 LEU 7 -17.977 -3.088 4.622
36 2HD1 LEU 7 2HD1 LEU 7 -19.485 -2.716 3.769
37 3HD1 LEU 7 3HD1 LEU 7 -19.069 -4.396 4.136
38 1HD2 LEU 7 1HD2 LEU 7 -16.857 -1.671 2.639
39 2HD2 LEU 7 2HD2 LEU 7 -17.251 -2.198 0.990
40 3HD2 LEU 7 3HD2 LEU 7 -18.513 -1.522 2.007
41 H CYS 8 H CYS 8 -15.348 -7.224 0.498
42 HA CYS 8 HA CYS 8 -12.519 -6.972 1.179
43 1HB CYS 8 1HB CYS 8 -13.897 -7.658 3.248
44 2HB CYS 8 2HB CYS 8 -14.072 -9.201 2.418
45 H ALA 9 H ALA 9 -14.262 -7.526 -1.271
46 HA ALA 9 HA ALA 9 -13.704 -10.264 -2.115
47 1HB ALA 9 1HB ALA 9 -14.695 -9.405 -4.263
48 2HB ALA 9 3HB ALA 9 -15.740 -9.102 -2.869
49 3HB ALA 9 2HB ALA 9 -14.764 -7.783 -3.563
50 H TRP 10 H TRP 10 -11.335 -8.710 -1.313
51 HA TRP 10 HA TRP 10 -9.813 -7.834 -3.487
52 1HB TRP 10 1HB TRP 10 -8.159 -7.623 -1.913
53 2HB TRP 10 2HB TRP 10 -9.612 -7.347 -1.012
54 HD1 TRP 10 HD1 TRP 10 -10.194 -9.045 0.898
55 HE1 TRP 10 HE1 TRP 10 -8.830 -10.742 2.234
56 HE3 TRP 10 HE3 TRP 10 -6.101 -9.382 -2.160
57 HZ2 TRP 10 HZ2 TRP 10 -6.311 -12.104 1.996
58 HZ3 TRP 10 HZ3 TRP 10 -4.215 -10.868 -1.546
59 HH2 TRP 10 HH2 TRP 10 -4.320 -12.247 0.524
60 H ARG 11 H ARG 11 -10.971 -10.850 -3.426
61 HA ARG 11 HA ARG 11 -10.396 -12.862 -4.219
62 1HB ARG 11 1HB ARG 11 -9.288 -11.414 -5.985
63 2HB ARG 11 2HB ARG 11 -7.742 -11.865 -5.265
64 1HG ARG 11 1HG ARG 11 -8.169 -14.227 -5.685
65 2HG ARG 11 2HG ARG 11 -9.828 -13.895 -6.185
66 1HD ARG 11 1HD ARG 11 -7.300 -13.067 -7.658
67 2HD ARG 11 2HD ARG 11 -8.464 -14.290 -8.144
68 HE ARG 11 HE ARG 11 -10.129 -12.603 -8.528
69 1HH1 ARG 11 1HH1 ARG 11 -10.676 -10.511 -9.308
70 2HH1 ARG 11 2HH1 ARG 11 -9.424 -9.355 -9.635
71 1HH2 ARG 11 1HH2 ARG 11 -6.872 -11.225 -8.081
72 2HH2 ARG 11 2HH2 ARG 11 -7.247 -9.742 -8.855
73 H CYS 12 H CYS 12 -10.514 -12.854 -1.851
74 HA CYS 12 HA CYS 12 -8.198 -12.992 -0.222
75 1HB CYS 12 1HB CYS 12 -9.649 -13.428 1.517
76 2HB CYS 12 2HB CYS 12 -10.645 -12.500 0.409
No H/Q in entry = 76
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -17.453 -13.474 6.246
2 H2 GLY 1 H2 GLY 1 -18.161 -12.834 4.911
3 H3 GLY 1 H3 GLY 1 -18.673 -14.296 5.492
4 1HA GLY 1 2HA GLY 1 -17.332 -14.593 3.544
5 2HA GLY 1 1HA GLY 1 -16.574 -15.305 4.985
6 H CYS 2 H CYS 2 -15.465 -14.100 2.399
7 HA CYS 2 HA CYS 2 -14.470 -11.502 3.123
8 1HB CYS 2 1HB CYS 2 -12.803 -13.590 3.874
9 2HB CYS 2 2HB CYS 2 -12.192 -13.188 2.277
10 H CYS 3 H CYS 3 -14.005 -14.331 0.934
11 HA CYS 3 HA CYS 3 -13.988 -12.785 -1.504
12 1HB CYS 3 1HB CYS 3 -13.040 -15.130 -0.995
13 2HB CYS 3 2HB CYS 3 -14.688 -15.669 -1.305
14 H SER 4 H SER 4 -16.408 -12.789 0.607
15 HA SER 4 HA SER 4 -18.724 -13.632 -0.956
16 1HB SER 4 1HB SER 4 -19.806 -13.073 1.206
17 2HB SER 4 2HB SER 4 -18.671 -14.403 1.231
18 HG SER 4 HG SER 4 -18.358 -11.838 2.385
19 H ASP 5 H ASP 5 -19.501 -11.164 1.030
20 HA ASP 5 HA ASP 5 -20.289 -9.134 -0.705
21 1HB ASP 5 1HB ASP 5 -20.404 -7.867 1.454
22 2HB ASP 5 2HB ASP 5 -21.163 -9.452 1.540
23 HA PRO 6 HA PRO 6 -16.544 -7.225 -1.751
24 1HB PRO 6 1HB PRO 6 -17.213 -4.606 -2.192
25 2HB PRO 6 2HB PRO 6 -17.815 -5.960 -3.195
26 1HG PRO 6 1HG PRO 6 -19.183 -4.581 -0.880
27 2HG PRO 6 2HG PRO 6 -19.874 -4.977 -2.485
28 1HD PRO 6 1HD PRO 6 -20.287 -6.551 -0.312
29 2HD PRO 6 2HD PRO 6 -20.098 -7.238 -1.947
30 H LEU 7 H LEU 7 -15.066 -5.392 -1.307
31 HA LEU 7 HA LEU 7 -13.723 -4.092 -0.028
32 1HB LEU 7 2HB LEU 7 -15.394 -4.634 2.441
33 2HB LEU 7 1HB LEU 7 -14.054 -3.523 2.303
34 HG LEU 7 HG LEU 7 -16.646 -3.222 0.727
35 1HD1 LEU 7 1HD1 LEU 7 -17.032 -2.968 3.140
36 2HD1 LEU 7 2HD1 LEU 7 -15.733 -1.766 3.245
37 3HD1 LEU 7 3HD1 LEU 7 -17.214 -1.434 2.301
38 1HD2 LEU 7 1HD2 LEU 7 -14.329 -1.283 1.168
39 2HD2 LEU 7 2HD2 LEU 7 -14.717 -2.126 -0.344
40 3HD2 LEU 7 3HD2 LEU 7 -15.847 -0.939 0.288
41 H CYS 8 H CYS 8 -14.576 -7.366 0.620
42 HA CYS 8 HA CYS 8 -11.649 -7.759 0.841
43 1HB CYS 8 1HB CYS 8 -12.715 -8.360 3.034
44 2HB CYS 8 2HB CYS 8 -13.647 -9.586 2.184
45 H ALA 9 H ALA 9 -14.422 -8.155 -0.984
46 HA ALA 9 HA ALA 9 -14.135 -10.760 -1.913
47 1HB ALA 9 1HB ALA 9 -15.525 -10.090 -3.836
48 2HB ALA 9 3HB ALA 9 -16.153 -9.423 -2.326
49 3HB ALA 9 2HB ALA 9 -15.251 -8.378 -3.458
50 H TRP 10 H TRP 10 -12.602 -7.772 -3.302
51 HA TRP 10 HA TRP 10 -11.312 -9.169 -5.364
52 1HB TRP 10 1HB TRP 10 -10.331 -7.206 -5.790
53 2HB TRP 10 2HB TRP 10 -11.715 -6.623 -4.928
54 HD1 TRP 10 HD1 TRP 10 -11.182 -5.768 -2.310
55 HE1 TRP 10 HE1 TRP 10 -9.151 -4.558 -1.404
56 HE3 TRP 10 HE3 TRP 10 -7.790 -7.200 -5.869
57 HZ2 TRP 10 HZ2 TRP 10 -6.317 -4.349 -2.064
58 HZ3 TRP 10 HZ3 TRP 10 -5.419 -6.488 -5.693
59 HH2 TRP 10 HH2 TRP 10 -4.677 -5.066 -3.793
60 H ARG 11 H ARG 11 -10.632 -9.196 -2.002
61 HA ARG 11 HA ARG 11 -7.749 -9.817 -2.293
62 1HB ARG 11 1HB ARG 11 -7.898 -8.923 -0.248
63 2HB ARG 11 2HB ARG 11 -9.542 -9.450 0.057
64 1HG ARG 11 1HG ARG 11 -8.904 -11.571 0.805
65 2HG ARG 11 2HG ARG 11 -7.346 -11.523 -0.034
66 1HD ARG 11 1HD ARG 11 -6.433 -9.938 1.538
67 2HD ARG 11 2HD ARG 11 -8.016 -9.691 2.283
68 HE ARG 11 HE ARG 11 -7.469 -11.304 3.712
69 1HH1 ARG 11 1HH1 ARG 11 -6.739 -13.302 4.550
70 2HH1 ARG 11 2HH1 ARG 11 -5.615 -14.237 3.587
71 1HH2 ARG 11 1HH2 ARG 11 -5.634 -12.224 0.746
72 2HH2 ARG 11 2HH2 ARG 11 -5.141 -13.733 1.482
73 H CYS 12 H CYS 12 -10.726 -11.425 -1.456
74 HA CYS 12 HA CYS 12 -11.486 -13.471 -1.317
75 1HB CYS 12 1HB CYS 12 -11.149 -13.246 -3.847
76 2HB CYS 12 2HB CYS 12 -9.704 -14.215 -3.654
No H/Q in entry = 76
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 -18.452 -14.976 4.739
2 H2 GLY 1 H2 GLY 1 -18.589 -15.897 3.375
3 H3 GLY 1 H3 GLY 1 -18.390 -16.624 4.849
4 1HA GLY 1 2HA GLY 1 -16.358 -16.686 3.591
5 2HA GLY 1 1HA GLY 1 -16.224 -15.770 5.105
6 H CYS 2 H CYS 2 -14.672 -14.273 4.487
7 HA CYS 2 HA CYS 2 -15.391 -11.849 3.607
8 1HB CYS 2 1HB CYS 2 -13.014 -13.196 4.308
9 2HB CYS 2 2HB CYS 2 -12.634 -12.399 2.796
10 H CYS 3 H CYS 3 -14.302 -14.427 1.366
11 HA CYS 3 HA CYS 3 -14.006 -12.679 -0.850
12 1HB CYS 3 1HB CYS 3 -13.113 -15.083 -0.395
13 2HB CYS 3 2HB CYS 3 -14.549 -15.554 -1.324
14 H SER 4 H SER 4 -16.984 -13.361 0.609
15 HA SER 4 HA SER 4 -18.392 -13.189 -2.000
16 1HB SER 4 1HB SER 4 -20.428 -13.580 -0.648
17 2HB SER 4 2HB SER 4 -19.333 -14.912 -0.931
18 HG SER 4 HG SER 4 -19.251 -13.392 1.482
19 H ASP 5 H ASP 5 -17.334 -10.873 0.514
20 HA ASP 5 HA ASP 5 -19.505 -9.112 -0.328
21 1HB ASP 5 1HB ASP 5 -18.931 -7.919 1.654
22 2HB ASP 5 2HB ASP 5 -19.483 -9.539 2.027
23 HA PRO 6 HA PRO 6 -16.444 -6.958 -2.593
24 1HB PRO 6 1HB PRO 6 -17.604 -4.496 -2.962
25 2HB PRO 6 2HB PRO 6 -18.252 -5.992 -3.705
26 1HG PRO 6 2HG PRO 6 -19.140 -4.648 -1.131
27 2HG PRO 6 1HG PRO 6 -20.156 -5.201 -2.505
28 1HD PRO 6 1HD PRO 6 -19.791 -6.726 -0.279
29 2HD PRO 6 2HD PRO 6 -19.883 -7.475 -1.902
30 H LEU 7 H LEU 7 -17.072 -6.166 0.639
31 HA LEU 7 HA LEU 7 -15.258 -3.884 0.869
32 1HB LEU 7 1HB LEU 7 -16.115 -5.756 3.084
33 2HB LEU 7 2HB LEU 7 -15.539 -4.108 3.229
34 HG LEU 7 HG LEU 7 -18.237 -4.993 2.105
35 1HD1 LEU 7 1HD1 LEU 7 -18.012 -5.268 4.544
36 2HD1 LEU 7 2HD1 LEU 7 -17.525 -3.563 4.700
37 3HD1 LEU 7 3HD1 LEU 7 -19.157 -3.988 4.136
38 1HD2 LEU 7 1HD2 LEU 7 -17.128 -2.190 2.551
39 2HD2 LEU 7 2HD2 LEU 7 -17.528 -2.938 0.986
40 3HD2 LEU 7 3HD2 LEU 7 -18.814 -2.578 2.144
41 H CYS 8 H CYS 8 -15.028 -7.369 0.674
42 HA CYS 8 HA CYS 8 -12.187 -7.277 1.542
43 1HB CYS 8 1HB CYS 8 -13.869 -8.081 3.229
44 2HB CYS 8 2HB CYS 8 -14.238 -9.414 2.140
45 H ALA 9 H ALA 9 -14.473 -8.675 -0.488
46 HA ALA 9 HA ALA 9 -13.153 -10.953 -1.290
47 1HB ALA 9 1HB ALA 9 -15.562 -10.618 -1.638
48 2HB ALA 9 3HB ALA 9 -15.232 -9.382 -2.877
49 3HB ALA 9 2HB ALA 9 -14.793 -11.075 -3.164
50 H TRP 10 H TRP 10 -12.237 -7.863 -2.389
51 HA TRP 10 HA TRP 10 -11.749 -8.172 -5.055
52 1HB TRP 10 1HB TRP 10 -10.638 -6.170 -4.870
53 2HB TRP 10 2HB TRP 10 -11.702 -6.134 -3.488
54 HD1 TRP 10 HD1 TRP 10 -10.317 -7.102 -1.099
55 HE1 TRP 10 HE1 TRP 10 -7.994 -6.430 -0.290
56 HE3 TRP 10 HE3 TRP 10 -8.440 -5.203 -5.482
57 HZ2 TRP 10 HZ2 TRP 10 -5.646 -5.213 -1.369
58 HZ3 TRP 10 HZ3 TRP 10 -6.167 -4.249 -5.549
59 HH2 TRP 10 HH2 TRP 10 -4.749 -4.231 -3.500
60 H ARG 11 H ARG 11 -10.100 -9.879 -2.689
61 HA ARG 11 HA ARG 11 -8.417 -11.260 -4.569
62 1HB ARG 11 2HB ARG 11 -6.242 -10.807 -3.512
63 2HB ARG 11 1HB ARG 11 -6.940 -9.351 -4.181
64 1HG ARG 11 1HG ARG 11 -6.664 -8.316 -2.224
65 2HG ARG 11 2HG ARG 11 -7.852 -9.385 -1.494
66 1HD ARG 11 1HD ARG 11 -5.769 -11.019 -1.235
67 2HD ARG 11 2HD ARG 11 -4.841 -9.521 -1.435
68 HE ARG 11 HE ARG 11 -6.785 -8.887 0.428
69 1HH1 ARG 11 1HH1 ARG 11 -7.147 -9.630 2.499
70 2HH1 ARG 11 2HH1 ARG 11 -5.963 -10.553 3.363
71 1HH2 ARG 11 1HH2 ARG 11 -3.899 -10.953 0.447
72 2HH2 ARG 11 2HH2 ARG 11 -4.005 -11.234 2.166
73 H CYS 12 H CYS 12 -10.608 -11.773 -2.813
74 HA CYS 12 HA CYS 12 -11.528 -12.619 -1.008
75 1HB CYS 12 1HB CYS 12 -9.231 -14.596 -1.095
76 2HB CYS 12 2HB CYS 12 -10.683 -14.748 -0.123
No H/Q in entry = 76
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 -18.465 -12.790 4.715
2 H2 GLY 1 H2 GLY 1 -19.299 -13.799 3.735
3 H3 GLY 1 H3 GLY 1 -19.077 -14.205 5.317
4 1HA GLY 1 2HA GLY 1 -17.628 -15.452 3.805
5 2HA GLY 1 1HA GLY 1 -16.776 -14.512 5.043
6 H CYS 2 H CYS 2 -14.973 -13.908 4.108
7 HA CYS 2 HA CYS 2 -15.181 -11.411 2.997
8 1HB CYS 2 1HB CYS 2 -13.162 -13.076 4.152
9 2HB CYS 2 2HB CYS 2 -12.484 -12.404 2.687
10 H CYS 3 H CYS 3 -14.521 -14.376 1.115
11 HA CYS 3 HA CYS 3 -13.570 -12.956 -1.222
12 1HB CYS 3 1HB CYS 3 -13.200 -15.358 -0.803
13 2HB CYS 3 2HB CYS 3 -14.929 -15.603 -0.995
14 H SER 4 H SER 4 -16.751 -13.770 0.094
15 HA SER 4 HA SER 4 -18.059 -13.124 -2.452
16 1HB SER 4 1HB SER 4 -20.010 -14.149 -1.329
17 2HB SER 4 2HB SER 4 -18.644 -15.194 -1.700
18 HG SER 4 HG SER 4 -18.609 -14.061 0.844
19 H ASP 5 H ASP 5 -17.626 -11.325 0.642
20 HA ASP 5 HA ASP 5 -19.813 -9.626 -0.226
21 1HB ASP 5 1HB ASP 5 -19.767 -8.921 2.130
22 2HB ASP 5 2HB ASP 5 -20.497 -10.476 1.775
23 HA PRO 6 HA PRO 6 -17.020 -7.013 -1.585
24 1HB PRO 6 1HB PRO 6 -18.024 -4.467 -1.310
25 2HB PRO 6 2HB PRO 6 -18.801 -5.721 -2.319
26 1HG PRO 6 2HG PRO 6 -19.426 -5.009 0.571
27 2HG PRO 6 1HG PRO 6 -20.555 -5.105 -0.815
28 1HD PRO 6 1HD PRO 6 -20.260 -7.205 0.852
29 2HD PRO 6 2HD PRO 6 -20.344 -7.494 -0.916
30 H LEU 7 H LEU 7 -15.510 -5.435 -1.382
31 HA LEU 7 HA LEU 7 -14.194 -3.707 -0.585
32 1HB LEU 7 1HB LEU 7 -14.963 -4.479 2.260
33 2HB LEU 7 2HB LEU 7 -13.952 -3.141 1.777
34 HG LEU 7 HG LEU 7 -16.820 -3.278 0.767
35 1HD1 LEU 7 1HD1 LEU 7 -15.935 -2.176 3.452
36 2HD1 LEU 7 2HD1 LEU 7 -17.531 -1.957 2.700
37 3HD1 LEU 7 3HD1 LEU 7 -16.999 -3.565 3.160
38 1HD2 LEU 7 1HD2 LEU 7 -15.283 -1.648 -0.267
39 2HD2 LEU 7 2HD2 LEU 7 -16.565 -0.851 0.647
40 3HD2 LEU 7 3HD2 LEU 7 -14.930 -0.962 1.331
41 H CYS 8 H CYS 8 -14.625 -6.704 0.991
42 HA CYS 8 HA CYS 8 -11.731 -7.327 1.214
43 1HB CYS 8 1HB CYS 8 -13.437 -7.789 3.055
44 2HB CYS 8 2HB CYS 8 -14.034 -9.096 2.011
45 H ALA 9 H ALA 9 -14.471 -8.050 -0.587
46 HA ALA 9 HA ALA 9 -14.131 -10.518 -1.591
47 1HB ALA 9 1HB ALA 9 -15.472 -9.849 -3.589
48 2HB ALA 9 3HB ALA 9 -16.153 -9.219 -2.094
49 3HB ALA 9 2HB ALA 9 -15.222 -8.147 -3.171
50 H TRP 10 H TRP 10 -12.516 -7.673 -3.105
51 HA TRP 10 HA TRP 10 -11.584 -9.012 -5.306
52 1HB TRP 10 1HB TRP 10 -10.345 -7.167 -5.680
53 2HB TRP 10 2HB TRP 10 -11.361 -6.493 -4.441
54 HD1 TRP 10 HD1 TRP 10 -10.197 -6.146 -1.971
55 HE1 TRP 10 HE1 TRP 10 -7.752 -5.846 -1.272
56 HE3 TRP 10 HE3 TRP 10 -7.921 -7.875 -6.205
57 HZ2 TRP 10 HZ2 TRP 10 -5.131 -6.261 -2.418
58 HZ3 TRP 10 HZ3 TRP 10 -5.457 -7.893 -6.396
59 HH2 TRP 10 HH2 TRP 10 -4.038 -7.107 -4.496
60 H ARG 11 H ARG 11 -10.506 -9.339 -2.061
61 HA ARG 11 HA ARG 11 -7.873 -10.352 -2.848
62 1HB ARG 11 1HB ARG 11 -8.065 -8.841 -0.963
63 2HB ARG 11 2HB ARG 11 -8.979 -10.041 -0.048
64 1HG ARG 11 1HG ARG 11 -7.102 -11.486 0.141
65 2HG ARG 11 2HG ARG 11 -6.282 -10.754 -1.249
66 1HD ARG 11 1HD ARG 11 -5.893 -8.683 -0.008
67 2HD ARG 11 2HD ARG 11 -6.696 -9.355 1.412
68 HE ARG 11 HE ARG 11 -4.070 -10.063 0.281
69 1HH1 ARG 11 1HH1 ARG 11 -2.687 -11.487 1.442
70 2HH1 ARG 11 2HH1 ARG 11 -3.339 -12.371 2.802
71 1HH2 ARG 11 1HH2 ARG 11 -6.529 -10.928 2.761
72 2HH2 ARG 11 2HH2 ARG 11 -5.403 -12.000 3.570
73 H CYS 12 H CYS 12 -10.878 -11.717 -1.728
74 HA CYS 12 HA CYS 12 -11.458 -13.833 -1.035
75 1HB CYS 12 1HB CYS 12 -10.102 -14.290 -3.702
76 2HB CYS 12 2HB CYS 12 -10.972 -15.568 -2.861
No H/Q in entry = 76
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 -17.445 -14.407 5.556
2 H2 GLY 1 H2 GLY 1 -18.425 -14.880 4.316
3 H3 GLY 1 H3 GLY 1 -17.897 -15.985 5.420
4 1HA GLY 1 2HA GLY 1 -16.703 -16.194 3.338
5 2HA GLY 1 1HA GLY 1 -15.672 -15.772 4.709
6 H CYS 2 H CYS 2 -14.178 -14.501 3.921
7 HA CYS 2 HA CYS 2 -14.867 -11.798 3.106
8 1HB CYS 2 1HB CYS 2 -12.485 -13.243 4.030
9 2HB CYS 2 2HB CYS 2 -12.117 -12.170 2.698
10 H CYS 3 H CYS 3 -14.438 -14.692 1.260
11 HA CYS 3 HA CYS 3 -13.658 -13.505 -1.265
12 1HB CYS 3 1HB CYS 3 -14.971 -16.051 -0.380
13 2HB CYS 3 2HB CYS 3 -14.981 -15.606 -2.064
14 H SER 4 H SER 4 -16.666 -13.559 0.607
15 HA SER 4 HA SER 4 -18.273 -13.484 -1.752
16 1HB SER 4 2HB SER 4 -20.196 -13.356 -0.296
17 2HB SER 4 1HB SER 4 -19.095 -14.644 0.162
18 HG SER 4 HG SER 4 -18.291 -13.176 1.836
19 H ASP 5 H ASP 5 -17.864 -10.922 0.851
20 HA ASP 5 HA ASP 5 -19.610 -9.294 -0.739
21 1HB ASP 5 1HB ASP 5 -19.948 -8.106 1.264
22 2HB ASP 5 2HB ASP 5 -20.035 -9.821 1.615
23 HA PRO 6 HA PRO 6 -16.318 -6.630 -2.124
24 1HB PRO 6 1HB PRO 6 -17.723 -4.373 -2.806
25 2HB PRO 6 2HB PRO 6 -17.723 -5.870 -3.782
26 1HG PRO 6 2HG PRO 6 -19.764 -4.967 -1.739
27 2HG PRO 6 1HG PRO 6 -20.059 -5.619 -3.386
28 1HD PRO 6 1HD PRO 6 -20.220 -7.153 -1.137
29 2HD PRO 6 2HD PRO 6 -19.603 -7.817 -2.683
30 H LEU 7 H LEU 7 -15.072 -5.327 -1.144
31 HA LEU 7 HA LEU 7 -14.088 -3.882 0.317
32 1HB LEU 7 1HB LEU 7 -16.484 -4.141 2.159
33 2HB LEU 7 2HB LEU 7 -14.980 -3.392 2.616
34 HG LEU 7 HG LEU 7 -16.526 -2.437 0.188
35 1HD1 LEU 7 1HD1 LEU 7 -16.686 -1.431 3.047
36 2HD1 LEU 7 2HD1 LEU 7 -17.380 -0.609 1.623
37 3HD1 LEU 7 3HD1 LEU 7 -17.965 -2.204 2.106
38 1HD2 LEU 7 1HD2 LEU 7 -14.339 -1.154 1.897
39 2HD2 LEU 7 2HD2 LEU 7 -14.177 -1.707 0.220
40 3HD2 LEU 7 3HD2 LEU 7 -15.220 -0.339 0.587
41 H CYS 8 H CYS 8 -14.960 -7.115 0.382
42 HA CYS 8 HA CYS 8 -12.316 -7.428 1.563
43 1HB CYS 8 1HB CYS 8 -14.147 -8.126 3.273
44 2HB CYS 8 2HB CYS 8 -14.277 -9.568 2.249
45 H ALA 9 H ALA 9 -14.733 -8.509 -0.501
46 HA ALA 9 HA ALA 9 -13.696 -10.888 -1.510
47 1HB ALA 9 1HB ALA 9 -15.330 -10.588 -3.299
48 2HB ALA 9 3HB ALA 9 -15.997 -10.122 -1.748
49 3HB ALA 9 2HB ALA 9 -15.480 -8.857 -2.896
50 H TRP 10 H TRP 10 -12.272 -7.778 -2.199
51 HA TRP 10 HA TRP 10 -11.574 -7.820 -4.790
52 1HB TRP 10 1HB TRP 10 -9.984 -6.291 -4.252
53 2HB TRP 10 2HB TRP 10 -11.055 -6.142 -2.906
54 HD1 TRP 10 HD1 TRP 10 -10.146 -7.693 -0.631
55 HE1 TRP 10 HE1 TRP 10 -7.778 -7.786 0.331
56 HE3 TRP 10 HE3 TRP 10 -7.514 -6.111 -4.740
57 HZ2 TRP 10 HZ2 TRP 10 -5.088 -7.319 -0.568
58 HZ3 TRP 10 HZ3 TRP 10 -5.054 -5.904 -4.637
59 HH2 TRP 10 HH2 TRP 10 -3.825 -6.491 -2.542
60 H ARG 11 H ARG 11 -10.158 -9.730 -2.317
61 HA ARG 11 HA ARG 11 -9.193 -11.737 -4.137
62 1HB ARG 11 1HB ARG 11 -7.361 -9.675 -3.777
63 2HB ARG 11 2HB ARG 11 -6.853 -10.772 -2.511
64 1HG ARG 11 1HG ARG 11 -7.282 -11.475 -5.455
65 2HG ARG 11 2HG ARG 11 -5.728 -11.127 -4.718
66 1HD ARG 11 1HD ARG 11 -5.865 -13.128 -3.308
67 2HD ARG 11 2HD ARG 11 -7.507 -13.450 -3.876
68 HE ARG 11 HE ARG 11 -6.741 -14.408 -5.731
69 1HH1 ARG 11 1HH1 ARG 11 -5.241 -15.030 -7.392
70 2HH1 ARG 11 2HH1 ARG 11 -3.572 -14.590 -7.220
71 1HH2 ARG 11 1HH2 ARG 11 -3.999 -12.656 -4.295
72 2HH2 ARG 11 2HH2 ARG 11 -2.874 -13.144 -5.526
73 H CYS 12 H CYS 12 -11.060 -11.493 -1.974
74 HA CYS 12 HA CYS 12 -11.853 -12.793 -0.361
75 1HB CYS 12 1HB CYS 12 -10.805 -14.493 -1.957
76 2HB CYS 12 2HB CYS 12 -9.503 -14.629 -0.785
No H/Q in entry = 76
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 -17.967 -15.887 4.340
2 H2 GLY 1 H2 GLY 1 -17.205 -17.224 4.945
3 H3 GLY 1 H3 GLY 1 -17.151 -15.781 5.753
4 1HA GLY 1 2HA GLY 1 -15.913 -16.317 3.158
5 2HA GLY 1 1HA GLY 1 -15.069 -16.186 4.719
6 H CYS 2 H CYS 2 -14.352 -14.531 2.630
7 HA CYS 2 HA CYS 2 -15.860 -11.986 2.910
8 1HB CYS 2 1HB CYS 2 -13.511 -12.379 4.252
9 2HB CYS 2 2HB CYS 2 -12.933 -11.638 2.764
10 H CYS 3 H CYS 3 -14.308 -14.316 0.816
11 HA CYS 3 HA CYS 3 -14.385 -12.469 -1.448
12 1HB CYS 3 1HB CYS 3 -13.789 -15.329 -1.139
13 2HB CYS 3 2HB CYS 3 -14.743 -14.913 -2.570
14 H SER 4 H SER 4 -16.830 -13.728 0.542
15 HA SER 4 HA SER 4 -18.942 -13.975 -1.397
16 1HB SER 4 1HB SER 4 -20.238 -13.979 0.720
17 2HB SER 4 2HB SER 4 -19.104 -15.295 0.448
18 HG SER 4 HG SER 4 -18.604 -13.035 2.196
19 H ASP 5 H ASP 5 -17.781 -11.353 0.781
20 HA ASP 5 HA ASP 5 -19.952 -9.595 -0.082
21 1HB ASP 5 1HB ASP 5 -19.409 -8.558 2.184
22 2HB ASP 5 2HB ASP 5 -20.371 -10.024 2.092
23 HA PRO 6 HA PRO 6 -16.974 -7.017 -1.801
24 1HB PRO 6 1HB PRO 6 -17.958 -4.485 -1.620
25 2HB PRO 6 2HB PRO 6 -18.816 -5.771 -2.521
26 1HG PRO 6 2HG PRO 6 -19.272 -4.897 0.357
27 2HG PRO 6 1HG PRO 6 -20.502 -5.016 -0.946
28 1HD PRO 6 1HD PRO 6 -20.108 -7.040 0.812
29 2HD PRO 6 2HD PRO 6 -20.438 -7.373 -0.915
30 H LEU 7 H LEU 7 -15.600 -5.072 -1.446
31 HA LEU 7 HA LEU 7 -14.212 -3.658 -0.385
32 1HB LEU 7 2HB LEU 7 -15.651 -4.243 2.226
33 2HB LEU 7 1HB LEU 7 -14.547 -2.927 1.904
34 HG LEU 7 HG LEU 7 -17.136 -3.235 0.315
35 1HD1 LEU 7 1HD1 LEU 7 -16.790 -1.728 2.920
36 2HD1 LEU 7 2HD1 LEU 7 -18.199 -1.643 1.827
37 3HD1 LEU 7 3HD1 LEU 7 -17.803 -3.158 2.620
38 1HD2 LEU 7 1HD2 LEU 7 -15.415 -1.741 -0.627
39 2HD2 LEU 7 2HD2 LEU 7 -16.845 -0.858 -0.104
40 3HD2 LEU 7 3HD2 LEU 7 -15.369 -0.831 0.892
41 H CYS 8 H CYS 8 -14.548 -6.895 0.430
42 HA CYS 8 HA CYS 8 -11.642 -7.034 0.954
43 1HB CYS 8 1HB CYS 8 -12.118 -9.112 2.306
44 2HB CYS 8 2HB CYS 8 -12.609 -7.591 3.054
45 H ALA 9 H ALA 9 -14.309 -8.268 -0.682
46 HA ALA 9 HA ALA 9 -13.472 -10.705 -1.586
47 1HB ALA 9 1HB ALA 9 -14.919 -10.365 -3.628
48 2HB ALA 9 3HB ALA 9 -15.712 -10.045 -2.088
49 3HB ALA 9 2HB ALA 9 -15.159 -8.682 -3.103
50 H TRP 10 H TRP 10 -12.303 -7.627 -2.968
51 HA TRP 10 HA TRP 10 -11.220 -8.383 -5.278
52 1HB TRP 10 1HB TRP 10 -9.882 -6.527 -5.110
53 2HB TRP 10 2HB TRP 10 -11.215 -6.131 -4.090
54 HD1 TRP 10 HD1 TRP 10 -10.652 -6.629 -1.329
55 HE1 TRP 10 HE1 TRP 10 -8.604 -5.789 -0.031
56 HE3 TRP 10 HE3 TRP 10 -7.404 -6.052 -5.224
57 HZ2 TRP 10 HZ2 TRP 10 -5.937 -4.903 -0.613
58 HZ3 TRP 10 HZ3 TRP 10 -5.152 -5.059 -4.838
59 HH2 TRP 10 HH2 TRP 10 -4.418 -4.467 -2.542
60 H ARG 11 H ARG 11 -10.045 -9.486 -2.253
61 HA ARG 11 HA ARG 11 -8.686 -11.654 -3.540
62 1HB ARG 11 1HB ARG 11 -6.979 -9.784 -3.733
63 2HB ARG 11 2HB ARG 11 -6.835 -9.801 -1.986
64 1HG ARG 11 1HG ARG 11 -5.942 -12.082 -2.048
65 2HG ARG 11 2HG ARG 11 -6.428 -12.280 -3.747
66 1HD ARG 11 1HD ARG 11 -4.874 -10.658 -4.510
67 2HD ARG 11 2HD ARG 11 -4.528 -10.078 -2.880
68 HE ARG 11 HE ARG 11 -3.375 -12.326 -4.276
69 1HH1 ARG 11 1HH1 ARG 11 -1.365 -13.117 -3.310
70 2HH1 ARG 11 2HH1 ARG 11 -0.959 -12.561 -1.712
71 1HH2 ARG 11 1HH2 ARG 11 -4.084 -11.118 -0.992
72 2HH2 ARG 11 2HH2 ARG 11 -2.511 -11.409 -0.376
73 H CYS 12 H CYS 12 -10.787 -11.644 -2.063
74 HA CYS 12 HA CYS 12 -11.939 -12.234 -0.243
75 1HB CYS 12 1HB CYS 12 -9.762 -14.289 0.107
76 2HB CYS 12 2HB CYS 12 -11.466 -14.435 0.475
No H/Q in entry = 76
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 -17.866 -15.217 5.277
2 H2 GLY 1 H2 GLY 1 -17.075 -16.464 6.025
3 H3 GLY 1 H3 GLY 1 -16.771 -14.902 6.467
4 1HA GLY 1 2HA GLY 1 -16.147 -16.085 3.861
5 2HA GLY 1 1HA GLY 1 -14.980 -15.720 5.154
6 H CYS 2 H CYS 2 -14.250 -14.516 2.940
7 HA CYS 2 HA CYS 2 -15.551 -11.890 2.724
8 1HB CYS 2 1HB CYS 2 -13.177 -12.363 4.262
9 2HB CYS 2 2HB CYS 2 -12.709 -11.502 2.807
10 H CYS 3 H CYS 3 -14.694 -14.520 0.998
11 HA CYS 3 HA CYS 3 -13.777 -13.180 -1.473
12 1HB CYS 3 1HB CYS 3 -15.349 -15.708 -1.085
13 2HB CYS 3 2HB CYS 3 -14.554 -15.183 -2.552
14 H SER 4 H SER 4 -16.654 -13.699 0.386
15 HA SER 4 HA SER 4 -18.508 -13.725 -1.749
16 1HB SER 4 1HB SER 4 -20.049 -13.882 0.188
17 2HB SER 4 2HB SER 4 -18.827 -15.135 0.021
18 HG SER 4 HG SER 4 -18.766 -12.972 1.910
19 H ASP 5 H ASP 5 -17.772 -11.199 0.742
20 HA ASP 5 HA ASP 5 -19.829 -9.479 -0.434
21 1HB ASP 5 1HB ASP 5 -19.735 -8.520 1.933
22 2HB ASP 5 2HB ASP 5 -20.622 -10.004 1.605
23 HA PRO 6 HA PRO 6 -16.930 -6.735 -1.749
24 1HB PRO 6 1HB PRO 6 -18.012 -4.206 -1.294
25 2HB PRO 6 2HB PRO 6 -18.570 -5.367 -2.536
26 1HG PRO 6 2HG PRO 6 -19.711 -4.884 0.219
27 2HG PRO 6 1HG PRO 6 -20.574 -5.052 -1.339
28 1HD PRO 6 1HD PRO 6 -20.342 -7.116 0.381
29 2HD PRO 6 2HD PRO 6 -20.228 -7.383 -1.388
30 H LEU 7 H LEU 7 -15.544 -4.930 -1.360
31 HA LEU 7 HA LEU 7 -13.947 -3.764 -0.419
32 1HB LEU 7 1HB LEU 7 -15.822 -3.747 1.810
33 2HB LEU 7 2HB LEU 7 -14.184 -3.914 2.424
34 HG LEU 7 HG LEU 7 -14.989 -1.888 0.335
35 1HD1 LEU 7 1HD1 LEU 7 -16.318 -1.514 2.374
36 2HD1 LEU 7 2HD1 LEU 7 -14.818 -1.509 3.341
37 3HD1 LEU 7 3HD1 LEU 7 -15.130 -0.218 2.143
38 1HD2 LEU 7 1HD2 LEU 7 -12.521 -2.338 0.527
39 2HD2 LEU 7 2HD2 LEU 7 -12.929 -0.702 1.031
40 3HD2 LEU 7 3HD2 LEU 7 -12.600 -1.947 2.250
41 H CYS 8 H CYS 8 -14.618 -6.952 0.386
42 HA CYS 8 HA CYS 8 -11.705 -7.417 0.752
43 1HB CYS 8 1HB CYS 8 -12.166 -9.217 2.308
44 2HB CYS 8 2HB CYS 8 -12.654 -7.633 2.920
45 H ALA 9 H ALA 9 -14.574 -8.386 -0.704
46 HA ALA 9 HA ALA 9 -14.029 -10.853 -1.824
47 1HB ALA 9 1HB ALA 9 -16.147 -9.849 -2.228
48 2HB ALA 9 3HB ALA 9 -15.384 -10.092 -3.809
49 3HB ALA 9 2HB ALA 9 -15.427 -8.471 -3.087
50 H TRP 10 H TRP 10 -12.717 -7.707 -2.941
51 HA TRP 10 HA TRP 10 -11.410 -8.412 -5.188
52 1HB TRP 10 1HB TRP 10 -10.239 -6.428 -4.899
53 2HB TRP 10 2HB TRP 10 -11.654 -6.168 -3.933
54 HD1 TRP 10 HD1 TRP 10 -11.267 -6.618 -1.203
55 HE1 TRP 10 HE1 TRP 10 -9.316 -5.841 0.261
56 HE3 TRP 10 HE3 TRP 10 -7.805 -5.781 -4.876
57 HZ2 TRP 10 HZ2 TRP 10 -6.622 -4.856 -0.134
58 HZ3 TRP 10 HZ3 TRP 10 -5.627 -4.762 -4.303
59 HH2 TRP 10 HH2 TRP 10 -5.007 -4.318 -1.947
60 H ARG 11 H ARG 11 -10.583 -9.718 -2.132
61 HA ARG 11 HA ARG 11 -8.425 -11.267 -3.297
62 1HB ARG 11 1HB ARG 11 -7.497 -8.871 -2.531
63 2HB ARG 11 2HB ARG 11 -7.628 -9.545 -0.913
64 1HG ARG 11 2HG ARG 11 -5.394 -9.957 -1.632
65 2HG ARG 11 1HG ARG 11 -6.198 -11.517 -1.776
66 1HD ARG 11 1HD ARG 11 -6.609 -10.981 -4.243
67 2HD ARG 11 2HD ARG 11 -5.609 -9.553 -4.042
68 HE ARG 11 HE ARG 11 -4.808 -12.359 -4.157
69 1HH1 ARG 11 1HH1 ARG 11 -2.637 -12.838 -4.474
70 2HH1 ARG 11 2HH1 ARG 11 -1.407 -11.663 -4.162
71 1HH2 ARG 11 1HH2 ARG 11 -3.684 -9.131 -3.079
72 2HH2 ARG 11 2HH2 ARG 11 -2.009 -9.557 -3.333
73 H CYS 12 H CYS 12 -10.977 -11.796 -2.083
74 HA CYS 12 HA CYS 12 -12.033 -13.011 -0.506
75 1HB CYS 12 1HB CYS 12 -9.463 -14.505 -0.958
76 2HB CYS 12 2HB CYS 12 -10.623 -15.125 0.188
No H/Q in entry = 76
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 -18.251 -13.470 4.461
2 H2 GLY 1 H2 GLY 1 -18.771 -14.783 3.603
3 H3 GLY 1 H3 GLY 1 -18.436 -14.940 5.199
4 1HA GLY 1 2HA GLY 1 -16.719 -15.842 3.687
5 2HA GLY 1 1HA GLY 1 -16.159 -14.670 4.897
6 H CYS 2 H CYS 2 -14.446 -13.779 3.712
7 HA CYS 2 HA CYS 2 -15.369 -11.409 2.676
8 1HB CYS 2 1HB CYS 2 -12.800 -12.555 3.421
9 2HB CYS 2 2HB CYS 2 -12.617 -11.561 1.980
10 H CYS 3 H CYS 3 -14.717 -14.203 0.689
11 HA CYS 3 HA CYS 3 -14.176 -12.748 -1.749
12 1HB CYS 3 1HB CYS 3 -15.492 -15.429 -1.437
13 2HB CYS 3 2HB CYS 3 -14.705 -14.778 -2.871
14 H SER 4 H SER 4 -17.031 -13.410 0.136
15 HA SER 4 HA SER 4 -18.890 -12.851 -2.109
16 1HB SER 4 2HB SER 4 -20.595 -13.890 -0.741
17 2HB SER 4 1HB SER 4 -19.198 -14.949 -0.998
18 HG SER 4 HG SER 4 -18.457 -14.055 1.130
19 H ASP 5 H ASP 5 -18.711 -11.920 1.460
20 HA ASP 5 HA ASP 5 -20.340 -9.648 1.002
21 1HB ASP 5 1HB ASP 5 -19.874 -9.109 3.261
22 2HB ASP 5 2HB ASP 5 -20.283 -10.799 3.134
23 HA PRO 6 HA PRO 6 -17.628 -7.429 -1.222
24 1HB PRO 6 1HB PRO 6 -18.405 -4.800 -0.973
25 2HB PRO 6 2HB PRO 6 -19.460 -6.063 -1.643
26 1HG PRO 6 2HG PRO 6 -19.353 -5.046 1.216
27 2HG PRO 6 1HG PRO 6 -20.794 -5.196 0.164
28 1HD PRO 6 1HD PRO 6 -20.154 -7.136 1.949
29 2HD PRO 6 2HD PRO 6 -20.773 -7.563 0.322
30 H LEU 7 H LEU 7 -16.163 -5.515 -1.457
31 HA LEU 7 HA LEU 7 -14.534 -4.103 -0.975
32 1HB LEU 7 1HB LEU 7 -16.454 -3.705 1.086
33 2HB LEU 7 2HB LEU 7 -14.893 -3.647 1.887
34 HG LEU 7 HG LEU 7 -15.502 -2.140 -0.686
35 1HD1 LEU 7 1HD1 LEU 7 -15.893 -1.243 2.185
36 2HD1 LEU 7 2HD1 LEU 7 -15.910 -0.137 0.788
37 3HD1 LEU 7 3HD1 LEU 7 -17.137 -1.401 0.945
38 1HD2 LEU 7 1HD2 LEU 7 -13.383 -1.756 1.490
39 2HD2 LEU 7 2HD2 LEU 7 -13.101 -2.313 -0.170
40 3HD2 LEU 7 3HD2 LEU 7 -13.645 -0.660 0.122
41 H CYS 8 H CYS 8 -14.498 -7.120 0.160
42 HA CYS 8 HA CYS 8 -11.556 -6.899 0.468
43 1HB CYS 8 1HB CYS 8 -11.664 -8.783 2.086
44 2HB CYS 8 2HB CYS 8 -12.302 -7.243 2.667
45 H ALA 9 H ALA 9 -14.072 -8.160 -1.308
46 HA ALA 9 HA ALA 9 -13.406 -10.806 -1.784
47 1HB ALA 9 1HB ALA 9 -14.855 -10.588 -3.743
48 2HB ALA 9 3HB ALA 9 -15.538 -9.677 -2.386
49 3HB ALA 9 2HB ALA 9 -14.694 -8.825 -3.706
50 H TRP 10 H TRP 10 -12.062 -7.916 -3.367
51 HA TRP 10 HA TRP 10 -10.804 -9.060 -5.517
52 1HB TRP 10 1HB TRP 10 -9.698 -7.037 -5.664
53 2HB TRP 10 2HB TRP 10 -11.150 -6.604 -4.816
54 HD1 TRP 10 HD1 TRP 10 -10.387 -7.166 -1.845
55 HE1 TRP 10 HE1 TRP 10 -8.587 -5.877 -0.617
56 HE3 TRP 10 HE3 TRP 10 -7.897 -5.216 -5.874
57 HZ2 TRP 10 HZ2 TRP 10 -6.174 -4.421 -1.274
58 HZ3 TRP 10 HZ3 TRP 10 -5.892 -3.806 -5.514
59 HH2 TRP 10 HH2 TRP 10 -4.990 -3.447 -3.243
60 H ARG 11 H ARG 11 -9.927 -9.643 -2.265
61 HA ARG 11 HA ARG 11 -7.781 -11.391 -3.037
62 1HB ARG 11 1HB ARG 11 -6.858 -8.851 -2.921
63 2HB ARG 11 2HB ARG 11 -6.811 -9.155 -1.207
64 1HG ARG 11 1HG ARG 11 -5.421 -10.723 -3.425
65 2HG ARG 11 2HG ARG 11 -4.678 -9.595 -2.288
66 1HD ARG 11 1HD ARG 11 -5.416 -11.209 -0.431
67 2HD ARG 11 2HD ARG 11 -5.761 -12.382 -1.714
68 HE ARG 11 HE ARG 11 -3.199 -11.344 -0.748
69 1HH1 ARG 11 1HH1 ARG 11 -1.239 -11.973 -1.712
70 2HH1 ARG 11 2HH1 ARG 11 -1.176 -13.271 -2.856
71 1HH2 ARG 11 1HH2 ARG 11 -4.726 -13.458 -3.200
72 2HH2 ARG 11 2HH2 ARG 11 -3.206 -14.125 -3.728
73 H CYS 12 H CYS 12 -10.132 -12.116 -1.899
74 HA CYS 12 HA CYS 12 -10.273 -11.871 0.932
75 1HB CYS 12 1HB CYS 12 -11.912 -13.719 0.614
76 2HB CYS 12 2HB CYS 12 -12.242 -12.251 -0.308
No H/Q in entry = 76
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 -17.369 -15.635 4.511
2 H2 GLY 1 H2 GLY 1 -17.060 -16.608 3.224
3 H3 GLY 1 H3 GLY 1 -16.722 -17.145 4.742
4 1HA GLY 1 2HA GLY 1 -14.730 -16.516 3.593
5 2HA GLY 1 1HA GLY 1 -15.039 -15.470 5.003
6 H CYS 2 H CYS 2 -13.428 -14.194 3.445
7 HA CYS 2 HA CYS 2 -14.684 -11.867 2.771
8 1HB CYS 2 1HB CYS 2 -11.987 -13.095 2.301
9 2HB CYS 2 2HB CYS 2 -12.407 -11.654 1.413
10 H CYS 3 H CYS 3 -14.355 -14.645 0.575
11 HA CYS 3 HA CYS 3 -14.408 -13.234 -1.866
12 1HB CYS 3 1HB CYS 3 -15.057 -15.996 -0.959
13 2HB CYS 3 2HB CYS 3 -15.873 -15.473 -2.414
14 H SER 4 H SER 4 -17.122 -13.764 0.424
15 HA SER 4 HA SER 4 -19.054 -12.943 -1.640
16 1HB SER 4 1HB SER 4 -20.684 -13.398 0.174
17 2HB SER 4 2HB SER 4 -19.872 -14.750 -0.583
18 HG SER 4 HG SER 4 -19.525 -13.676 2.000
19 H ASP 5 H ASP 5 -17.199 -11.130 0.802
20 HA ASP 5 HA ASP 5 -19.321 -9.171 0.820
21 1HB ASP 5 1HB ASP 5 -18.746 -8.648 2.814
22 2HB ASP 5 2HB ASP 5 -18.662 -10.369 2.865
23 HA PRO 6 HA PRO 6 -16.389 -7.086 -1.909
24 1HB PRO 6 1HB PRO 6 -17.918 -4.869 -2.524
25 2HB PRO 6 2HB PRO 6 -18.049 -6.461 -3.329
26 1HG PRO 6 1HG PRO 6 -19.729 -5.383 -1.061
27 2HG PRO 6 2HG PRO 6 -20.274 -6.226 -2.542
28 1HD PRO 6 1HD PRO 6 -20.008 -7.476 -0.155
29 2HD PRO 6 2HD PRO 6 -19.586 -8.319 -1.686
30 H LEU 7 H LEU 7 -15.065 -5.513 -1.648
31 HA LEU 7 HA LEU 7 -13.703 -3.879 -0.675
32 1HB LEU 7 1HB LEU 7 -15.205 -4.520 1.906
33 2HB LEU 7 2HB LEU 7 -13.649 -3.752 1.895
34 HG LEU 7 HG LEU 7 -15.795 -2.571 0.147
35 1HD1 LEU 7 1HD1 LEU 7 -15.575 -2.170 3.163
36 2HD1 LEU 7 2HD1 LEU 7 -16.403 -1.034 2.076
37 3HD1 LEU 7 3HD1 LEU 7 -16.996 -2.682 2.219
38 1HD2 LEU 7 1HD2 LEU 7 -13.463 -1.716 0.027
39 2HD2 LEU 7 2HD2 LEU 7 -14.566 -0.493 0.675
40 3HD2 LEU 7 3HD2 LEU 7 -13.499 -1.379 1.773
41 H CYS 8 H CYS 8 -14.722 -7.033 0.703
42 HA CYS 8 HA CYS 8 -11.845 -7.730 0.893
43 1HB CYS 8 1HB CYS 8 -13.473 -7.941 2.928
44 2HB CYS 8 2HB CYS 8 -13.908 -9.460 2.129
45 H ALA 9 H ALA 9 -14.677 -8.431 -0.766
46 HA ALA 9 HA ALA 9 -14.222 -10.930 -1.816
47 1HB ALA 9 1HB ALA 9 -15.509 -10.248 -3.833
48 2HB ALA 9 3HB ALA 9 -16.273 -9.697 -2.330
49 3HB ALA 9 2HB ALA 9 -15.357 -8.550 -3.346
50 H TRP 10 H TRP 10 -12.895 -7.919 -3.317
51 HA TRP 10 HA TRP 10 -11.367 -9.317 -5.203
52 1HB TRP 10 1HB TRP 10 -10.669 -7.282 -5.808
53 2HB TRP 10 2HB TRP 10 -11.943 -6.714 -4.766
54 HD1 TRP 10 HD1 TRP 10 -11.114 -5.662 -2.345
55 HE1 TRP 10 HE1 TRP 10 -8.884 -4.558 -1.678
56 HE3 TRP 10 HE3 TRP 10 -8.137 -7.518 -6.079
57 HZ2 TRP 10 HZ2 TRP 10 -6.177 -4.478 -2.675
58 HZ3 TRP 10 HZ3 TRP 10 -5.743 -6.906 -6.201
59 HH2 TRP 10 HH2 TRP 10 -4.756 -5.368 -4.512
60 H ARG 11 H ARG 11 -10.902 -9.007 -1.825
61 HA ARG 11 HA ARG 11 -7.981 -9.311 -1.872
62 1HB ARG 11 1HB ARG 11 -9.532 -8.028 -0.082
63 2HB ARG 11 2HB ARG 11 -9.656 -9.640 0.627
64 1HG ARG 11 1HG ARG 11 -7.873 -8.451 1.713
65 2HG ARG 11 2HG ARG 11 -7.161 -9.743 0.745
66 1HD ARG 11 1HD ARG 11 -7.347 -7.374 -0.922
67 2HD ARG 11 2HD ARG 11 -6.695 -6.871 0.625
68 HE ARG 11 HE ARG 11 -5.506 -8.656 -1.381
69 1HH1 ARG 11 1HH1 ARG 11 -3.325 -9.384 -1.065
70 2HH1 ARG 11 2HH1 ARG 11 -2.455 -8.917 0.356
71 1HH2 ARG 11 1HH2 ARG 11 -5.219 -7.322 1.913
72 2HH2 ARG 11 2HH2 ARG 11 -3.618 -7.908 2.165
73 H CYS 12 H CYS 12 -10.868 -11.246 -1.580
74 HA CYS 12 HA CYS 12 -9.535 -13.804 -1.175
75 1HB CYS 12 1HB CYS 12 -12.065 -13.187 -0.950
76 2HB CYS 12 2HB CYS 12 -12.106 -13.302 -2.705
No H/Q in entry = 76
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 -16.544 -14.317 5.307
2 H2 GLY 1 H2 GLY 1 -17.296 -15.487 4.428
3 H3 GLY 1 H3 GLY 1 -16.420 -15.904 5.772
4 1HA GLY 1 2HA GLY 1 -15.197 -16.416 3.747
5 2HA GLY 1 1HA GLY 1 -14.408 -15.202 4.756
6 H CYS 2 H CYS 2 -13.461 -13.871 3.399
7 HA CYS 2 HA CYS 2 -15.022 -11.781 2.616
8 1HB CYS 2 1HB CYS 2 -12.131 -12.542 2.345
9 2HB CYS 2 2HB CYS 2 -12.740 -11.162 1.459
10 H CYS 3 H CYS 3 -14.330 -14.513 0.533
11 HA CYS 3 HA CYS 3 -14.437 -13.112 -1.949
12 1HB CYS 3 1HB CYS 3 -15.157 -15.921 -1.148
13 2HB CYS 3 2HB CYS 3 -15.377 -15.351 -2.790
14 H SER 4 H SER 4 -16.913 -13.742 0.447
15 HA SER 4 HA SER 4 -19.179 -13.579 -1.399
16 1HB SER 4 1HB SER 4 -20.510 -13.562 0.671
17 2HB SER 4 2HB SER 4 -19.446 -14.959 0.526
18 HG SER 4 HG SER 4 -18.008 -13.975 2.011
19 H ASP 5 H ASP 5 -17.738 -11.397 1.154
20 HA ASP 5 HA ASP 5 -19.763 -9.456 0.474
21 1HB ASP 5 1HB ASP 5 -19.499 -8.756 2.694
22 2HB ASP 5 2HB ASP 5 -19.554 -10.500 2.689
23 HA PRO 6 HA PRO 6 -17.172 -6.844 -1.567
24 1HB PRO 6 1HB PRO 6 -18.184 -4.327 -1.219
25 2HB PRO 6 2HB PRO 6 -19.105 -5.631 -2.041
26 1HG PRO 6 2HG PRO 6 -19.269 -4.775 0.867
27 2HG PRO 6 1HG PRO 6 -20.611 -5.008 -0.304
28 1HD PRO 6 1HD PRO 6 -19.897 -6.958 1.448
29 2HD PRO 6 2HD PRO 6 -20.377 -7.364 -0.227
30 H LEU 7 H LEU 7 -15.710 -5.109 -1.582
31 HA LEU 7 HA LEU 7 -13.986 -3.749 -0.946
32 1HB LEU 7 1HB LEU 7 -14.811 -4.138 1.944
33 2HB LEU 7 2HB LEU 7 -13.594 -3.037 1.373
34 HG LEU 7 HG LEU 7 -16.500 -2.798 0.478
35 1HD1 LEU 7 1HD1 LEU 7 -15.142 -1.531 2.886
36 2HD1 LEU 7 2HD1 LEU 7 -16.748 -1.105 2.255
37 3HD1 LEU 7 3HD1 LEU 7 -16.460 -2.719 2.900
38 1HD2 LEU 7 1HD2 LEU 7 -14.176 -0.817 0.548
39 2HD2 LEU 7 2HD2 LEU 7 -14.847 -1.591 -0.901
40 3HD2 LEU 7 3HD2 LEU 7 -15.837 -0.461 0.024
41 H CYS 8 H CYS 8 -14.677 -6.788 0.435
42 HA CYS 8 HA CYS 8 -11.822 -7.428 0.853
43 1HB CYS 8 1HB CYS 8 -13.631 -7.482 2.714
44 2HB CYS 8 2HB CYS 8 -14.095 -9.015 1.962
45 H ALA 9 H ALA 9 -14.477 -8.171 -1.059
46 HA ALA 9 HA ALA 9 -14.041 -10.787 -1.821
47 1HB ALA 9 1HB ALA 9 -15.282 -10.290 -3.910
48 2HB ALA 9 3HB ALA 9 -16.055 -9.568 -2.488
49 3HB ALA 9 2HB ALA 9 -15.105 -8.549 -3.590
50 H TRP 10 H TRP 10 -12.500 -7.977 -3.596
51 HA TRP 10 HA TRP 10 -11.062 -9.729 -5.213
52 1HB TRP 10 1HB TRP 10 -10.088 -7.864 -6.018
53 2HB TRP 10 2HB TRP 10 -11.620 -7.259 -5.516
54 HD1 TRP 10 HD1 TRP 10 -10.641 -6.718 -2.359
55 HE1 TRP 10 HE1 TRP 10 -9.120 -4.709 -1.908
56 HE3 TRP 10 HE3 TRP 10 -8.845 -5.966 -7.110
57 HZ2 TRP 10 HZ2 TRP 10 -7.525 -2.862 -3.458
58 HZ3 TRP 10 HZ3 TRP 10 -7.306 -4.086 -7.580
59 HH2 TRP 10 HH2 TRP 10 -6.640 -2.522 -5.755
60 H ARG 11 H ARG 11 -10.600 -9.081 -1.882
61 HA ARG 11 HA ARG 11 -7.730 -9.717 -2.040
62 1HB ARG 11 1HB ARG 11 -8.749 -8.037 -0.290
63 2HB ARG 11 2HB ARG 11 -9.111 -9.513 0.634
64 1HG ARG 11 1HG ARG 11 -6.681 -10.161 0.459
65 2HG ARG 11 2HG ARG 11 -6.396 -8.734 -0.528
66 1HD ARG 11 2HD ARG 11 -5.577 -8.046 1.468
67 2HD ARG 11 1HD ARG 11 -7.193 -7.358 1.520
68 HE ARG 11 HE ARG 11 -6.057 -9.612 3.082
69 1HH1 ARG 11 1HH1 ARG 11 -7.035 -10.120 5.018
70 2HH1 ARG 11 2HH1 ARG 11 -8.629 -9.520 5.420
71 1HH2 ARG 11 1HH2 ARG 11 -9.004 -7.612 2.460
72 2HH2 ARG 11 2HH2 ARG 11 -9.681 -8.084 3.979
73 H CYS 12 H CYS 12 -10.799 -11.297 -1.470
74 HA CYS 12 HA CYS 12 -9.497 -13.761 -0.543
75 1HB CYS 12 1HB CYS 12 -11.697 -13.176 0.235
76 2HB CYS 12 2HB CYS 12 -12.311 -13.130 -1.420
No H/Q in entry = 76
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 -17.882 -12.429 4.572
2 H2 GLY 1 H2 GLY 1 -18.660 -13.725 5.234
3 H3 GLY 1 H3 GLY 1 -17.372 -13.024 6.012
4 1HA GLY 1 2HA GLY 1 -17.265 -14.420 3.436
5 2HA GLY 1 1HA GLY 1 -16.649 -15.070 4.965
6 H CYS 2 H CYS 2 -15.304 -14.184 2.323
7 HA CYS 2 HA CYS 2 -14.552 -11.467 2.797
8 1HB CYS 2 1HB CYS 2 -12.625 -13.579 3.242
9 2HB CYS 2 2HB CYS 2 -12.234 -12.781 1.751
10 H CYS 3 H CYS 3 -14.571 -14.435 0.719
11 HA CYS 3 HA CYS 3 -14.218 -13.071 -1.767
12 1HB CYS 3 1HB CYS 3 -15.859 -15.553 -1.373
13 2HB CYS 3 2HB CYS 3 -14.885 -15.114 -2.766
14 H SER 4 H SER 4 -17.035 -13.727 0.257
15 HA SER 4 HA SER 4 -19.086 -13.089 -1.642
16 1HB SER 4 1HB SER 4 -20.389 -13.303 0.463
17 2HB SER 4 2HB SER 4 -19.515 -14.733 -0.087
18 HG SER 4 HG SER 4 -19.317 -14.189 2.236
19 H ASP 5 H ASP 5 -18.250 -11.566 1.531
20 HA ASP 5 HA ASP 5 -19.819 -9.320 1.031
21 1HB ASP 5 1HB ASP 5 -18.700 -8.409 3.036
22 2HB ASP 5 2HB ASP 5 -19.441 -9.981 3.254
23 HA PRO 6 HA PRO 6 -16.925 -7.234 -1.659
24 1HB PRO 6 1HB PRO 6 -18.167 -4.802 -1.881
25 2HB PRO 6 2HB PRO 6 -18.735 -6.266 -2.731
26 1HG PRO 6 1HG PRO 6 -19.769 -5.143 -0.124
27 2HG PRO 6 2HG PRO 6 -20.709 -5.702 -1.544
28 1HD PRO 6 1HD PRO 6 -20.277 -7.269 0.625
29 2HD PRO 6 2HD PRO 6 -20.276 -7.970 -1.028
30 H LEU 7 H LEU 7 -15.532 -5.523 -1.522
31 HA LEU 7 HA LEU 7 -14.045 -4.044 -0.672
32 1HB LEU 7 1HB LEU 7 -15.119 -4.465 2.135
33 2HB LEU 7 2HB LEU 7 -13.836 -3.381 1.668
34 HG LEU 7 HG LEU 7 -16.693 -3.102 0.631
35 1HD1 LEU 7 1HD1 LEU 7 -15.302 -1.692 2.942
36 2HD1 LEU 7 2HD1 LEU 7 -16.890 -1.259 2.273
37 3HD1 LEU 7 3HD1 LEU 7 -16.662 -2.827 3.058
38 1HD2 LEU 7 1HD2 LEU 7 -14.317 -1.185 0.577
39 2HD2 LEU 7 2HD2 LEU 7 -15.019 -2.027 -0.825
40 3HD2 LEU 7 3HD2 LEU 7 -15.969 -0.817 0.034
41 H CYS 8 H CYS 8 -14.695 -7.262 0.522
42 HA CYS 8 HA CYS 8 -11.749 -7.685 0.661
43 1HB CYS 8 1HB CYS 8 -13.039 -8.155 2.788
44 2HB CYS 8 2HB CYS 8 -13.787 -9.503 1.920
45 H ALA 9 H ALA 9 -14.453 -8.243 -1.225
46 HA ALA 9 HA ALA 9 -14.008 -10.791 -2.178
47 1HB ALA 9 1HB ALA 9 -15.215 -10.068 -4.238
48 2HB ALA 9 3HB ALA 9 -15.996 -9.486 -2.755
49 3HB ALA 9 2HB ALA 9 -15.015 -8.375 -3.741
50 H TRP 10 H TRP 10 -12.414 -7.798 -3.499
51 HA TRP 10 HA TRP 10 -10.864 -9.122 -5.378
52 1HB TRP 10 1HB TRP 10 -9.806 -7.133 -5.595
53 2HB TRP 10 2HB TRP 10 -11.314 -6.606 -4.936
54 HD1 TRP 10 HD1 TRP 10 -10.874 -6.561 -1.868
55 HE1 TRP 10 HE1 TRP 10 -9.169 -4.969 -0.789
56 HE3 TRP 10 HE3 TRP 10 -7.793 -5.800 -5.893
57 HZ2 TRP 10 HZ2 TRP 10 -6.928 -3.380 -1.632
58 HZ3 TRP 10 HZ3 TRP 10 -5.985 -4.136 -5.764
59 HH2 TRP 10 HH2 TRP 10 -5.572 -2.878 -3.652
60 H ARG 11 H ARG 11 -10.554 -9.130 -1.960
61 HA ARG 11 HA ARG 11 -7.668 -9.698 -1.928
62 1HB ARG 11 1HB ARG 11 -9.250 -8.430 -0.078
63 2HB ARG 11 2HB ARG 11 -9.263 -10.080 0.574
64 1HG ARG 11 1HG ARG 11 -6.742 -10.074 0.474
65 2HG ARG 11 2HG ARG 11 -6.822 -8.418 -0.142
66 1HD ARG 11 1HD ARG 11 -8.315 -8.149 2.146
67 2HD ARG 11 2HD ARG 11 -7.240 -9.459 2.629
68 HE ARG 11 HE ARG 11 -5.377 -8.089 2.427
69 1HH1 ARG 11 1HH1 ARG 11 -4.300 -6.073 1.918
70 2HH1 ARG 11 2HH1 ARG 11 -5.241 -4.629 1.653
71 1HH2 ARG 11 1HH2 ARG 11 -8.370 -6.242 1.778
72 2HH2 ARG 11 2HH2 ARG 11 -7.584 -4.793 1.321
73 H CYS 12 H CYS 12 -10.710 -11.388 -1.683
74 HA CYS 12 HA CYS 12 -9.471 -14.016 -1.212
75 1HB CYS 12 1HB CYS 12 -11.758 -13.697 -0.551
76 2HB CYS 12 2HB CYS 12 -12.203 -13.184 -2.190
No H/Q in entry = 76
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 -18.768 -14.405 3.103
2 H2 GLY 1 H2 GLY 1 -17.922 -15.756 2.687
3 H3 GLY 1 H3 GLY 1 -18.689 -15.694 4.145
4 1HA GLY 1 2HA GLY 1 -16.308 -15.407 4.331
5 2HA GLY 1 1HA GLY 1 -17.233 -14.017 4.935
6 H CYS 2 H CYS 2 -14.465 -13.952 3.987
7 HA CYS 2 HA CYS 2 -14.522 -11.500 2.898
8 1HB CYS 2 1HB CYS 2 -12.487 -13.498 3.387
9 2HB CYS 2 2HB CYS 2 -12.107 -12.573 1.956
10 H CYS 3 H CYS 3 -14.040 -14.456 0.871
11 HA CYS 3 HA CYS 3 -13.694 -13.137 -1.573
12 1HB CYS 3 1HB CYS 3 -14.978 -15.774 -0.914
13 2HB CYS 3 2HB CYS 3 -14.638 -15.263 -2.555
14 H SER 4 H SER 4 -16.737 -13.540 0.234
15 HA SER 4 HA SER 4 -18.265 -12.866 -2.189
16 1HB SER 4 1HB SER 4 -20.222 -13.480 -0.799
17 2HB SER 4 2HB SER 4 -19.169 -14.723 -1.439
18 HG SER 4 HG SER 4 -19.374 -13.790 1.227
19 H ASP 5 H ASP 5 -17.114 -11.178 0.751
20 HA ASP 5 HA ASP 5 -19.456 -9.508 0.646
21 1HB ASP 5 1HB ASP 5 -19.048 -8.965 2.728
22 2HB ASP 5 2HB ASP 5 -18.506 -10.592 2.663
23 HA PRO 6 HA PRO 6 -17.331 -6.455 -1.798
24 1HB PRO 6 1HB PRO 6 -18.719 -4.144 -1.110
25 2HB PRO 6 2HB PRO 6 -19.297 -5.382 -2.265
26 1HG PRO 6 2HG PRO 6 -19.907 -5.178 0.695
27 2HG PRO 6 1HG PRO 6 -21.059 -5.385 -0.657
28 1HD PRO 6 1HD PRO 6 -20.231 -7.485 0.805
29 2HD PRO 6 2HD PRO 6 -20.319 -7.663 -0.977
30 H LEU 7 H LEU 7 -15.553 -5.551 -1.502
31 HA LEU 7 HA LEU 7 -13.863 -4.208 -0.863
32 1HB LEU 7 1HB LEU 7 -14.946 -4.046 1.956
33 2HB LEU 7 2HB LEU 7 -13.501 -3.280 1.367
34 HG LEU 7 HG LEU 7 -16.282 -2.637 0.301
35 1HD1 LEU 7 1HD1 LEU 7 -15.981 -1.970 2.679
36 2HD1 LEU 7 2HD1 LEU 7 -14.529 -1.061 2.235
37 3HD1 LEU 7 3HD1 LEU 7 -16.122 -0.582 1.605
38 1HD2 LEU 7 1HD2 LEU 7 -13.565 -1.313 -0.130
39 2HD2 LEU 7 2HD2 LEU 7 -14.555 -2.137 -1.354
40 3HD2 LEU 7 3HD2 LEU 7 -15.122 -0.626 -0.645
41 H CYS 8 H CYS 8 -14.878 -7.226 0.629
42 HA CYS 8 HA CYS 8 -11.961 -7.774 0.803
43 1HB CYS 8 1HB CYS 8 -13.323 -8.161 2.957
44 2HB CYS 8 2HB CYS 8 -13.936 -9.584 2.104
45 H ALA 9 H ALA 9 -14.785 -8.452 -0.880
46 HA ALA 9 HA ALA 9 -14.306 -10.926 -1.951
47 1HB ALA 9 1HB ALA 9 -15.523 -10.193 -3.999
48 2HB ALA 9 3HB ALA 9 -16.321 -9.721 -2.490
49 3HB ALA 9 2HB ALA 9 -15.419 -8.512 -3.424
50 H TRP 10 H TRP 10 -12.810 -7.886 -3.239
51 HA TRP 10 HA TRP 10 -11.293 -9.064 -5.219
52 1HB TRP 10 1HB TRP 10 -10.286 -6.998 -5.355
53 2HB TRP 10 2HB TRP 10 -11.826 -6.596 -4.650
54 HD1 TRP 10 HD1 TRP 10 -11.686 -6.372 -1.789
55 HE1 TRP 10 HE1 TRP 10 -9.884 -5.241 -0.369
56 HE3 TRP 10 HE3 TRP 10 -7.864 -6.363 -5.203
57 HZ2 TRP 10 HZ2 TRP 10 -7.165 -4.333 -0.712
58 HZ3 TRP 10 HZ3 TRP 10 -5.681 -5.347 -4.625
59 HH2 TRP 10 HH2 TRP 10 -5.333 -4.285 -2.410
60 H ARG 11 H ARG 11 -10.830 -9.423 -1.840
61 HA ARG 11 HA ARG 11 -7.944 -9.940 -1.867
62 1HB ARG 11 1HB ARG 11 -9.416 -8.984 0.090
63 2HB ARG 11 2HB ARG 11 -9.940 -10.657 0.306
64 1HG ARG 11 1HG ARG 11 -8.280 -10.117 1.905
65 2HG ARG 11 2HG ARG 11 -7.626 -11.346 0.830
66 1HD ARG 11 1HD ARG 11 -6.308 -9.677 -0.359
67 2HD ARG 11 2HD ARG 11 -7.089 -8.360 0.549
68 HE ARG 11 HE ARG 11 -5.847 -10.246 2.319
69 1HH1 ARG 11 1HH1 ARG 11 -3.871 -9.573 3.432
70 2HH1 ARG 11 2HH1 ARG 11 -2.892 -8.336 2.731
71 1HH2 ARG 11 1HH2 ARG 11 -5.004 -7.681 -0.009
72 2HH2 ARG 11 2HH2 ARG 11 -3.485 -7.312 0.787
73 H CYS 12 H CYS 12 -10.668 -11.714 -2.986
74 HA CYS 12 HA CYS 12 -10.395 -14.088 -1.618
75 1HB CYS 12 1HB CYS 12 -12.261 -13.397 -3.206
76 2HB CYS 12 2HB CYS 12 -11.208 -13.860 -4.542
No H/Q in entry = 76
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 -18.390 -12.052 5.300
2 H2 GLY 1 H2 GLY 1 -19.138 -13.195 4.389
3 H3 GLY 1 H3 GLY 1 -18.872 -13.458 5.996
4 1HA GLY 1 2HA GLY 1 -17.302 -14.700 4.647
5 2HA GLY 1 1HA GLY 1 -16.517 -13.491 5.675
6 H CYS 2 H CYS 2 -14.763 -12.999 4.467
7 HA CYS 2 HA CYS 2 -14.763 -10.902 2.944
8 1HB CYS 2 1HB CYS 2 -12.866 -13.150 3.441
9 2HB CYS 2 2HB CYS 2 -12.452 -12.056 2.144
10 H CYS 3 H CYS 3 -14.203 -14.111 1.439
11 HA CYS 3 HA CYS 3 -13.821 -13.148 -1.120
12 1HB CYS 3 1HB CYS 3 -13.421 -15.469 -0.084
13 2HB CYS 3 2HB CYS 3 -15.079 -15.788 -0.534
14 H SER 4 H SER 4 -16.848 -13.642 0.498
15 HA SER 4 HA SER 4 -18.456 -13.452 -1.984
16 1HB SER 4 1HB SER 4 -20.289 -13.980 -0.401
17 2HB SER 4 2HB SER 4 -19.094 -15.238 -0.702
18 HG SER 4 HG SER 4 -18.652 -13.526 1.490
19 H ASP 5 H ASP 5 -17.181 -11.032 0.289
20 HA ASP 5 HA ASP 5 -19.609 -9.493 0.014
21 1HB ASP 5 1HB ASP 5 -19.166 -8.646 2.013
22 2HB ASP 5 2HB ASP 5 -18.901 -10.344 2.222
23 HA PRO 6 HA PRO 6 -17.165 -6.666 -2.325
24 1HB PRO 6 1HB PRO 6 -18.867 -4.585 -2.627
25 2HB PRO 6 2HB PRO 6 -19.318 -6.227 -3.172
26 1HG PRO 6 2HG PRO 6 -20.049 -4.884 -0.543
27 2HG PRO 6 1HG PRO 6 -21.124 -5.711 -1.726
28 1HD PRO 6 1HD PRO 6 -20.091 -6.975 0.492
29 2HD PRO 6 2HD PRO 6 -20.452 -7.817 -1.047
30 H LEU 7 H LEU 7 -16.526 -6.683 0.603
31 HA LEU 7 HA LEU 7 -15.050 -4.154 0.497
32 1HB LEU 7 2HB LEU 7 -15.604 -3.587 2.830
33 2HB LEU 7 1HB LEU 7 -16.957 -3.510 1.726
34 HG LEU 7 HG LEU 7 -17.700 -5.804 2.603
35 1HD1 LEU 7 1HD1 LEU 7 -15.787 -5.019 4.858
36 2HD1 LEU 7 2HD1 LEU 7 -16.995 -6.331 4.907
37 3HD1 LEU 7 3HD1 LEU 7 -15.632 -6.436 3.797
38 1HD2 LEU 7 1HD2 LEU 7 -18.823 -3.688 3.122
39 2HD2 LEU 7 2HD2 LEU 7 -18.825 -4.783 4.507
40 3HD2 LEU 7 3HD2 LEU 7 -17.692 -3.409 4.471
41 H CYS 8 H CYS 8 -14.806 -7.242 0.322
42 HA CYS 8 HA CYS 8 -12.075 -7.149 1.293
43 1HB CYS 8 1HB CYS 8 -13.427 -7.946 3.265
44 2HB CYS 8 2HB CYS 8 -13.919 -9.301 2.264
45 H ALA 9 H ALA 9 -14.363 -8.353 -0.851
46 HA ALA 9 HA ALA 9 -13.001 -10.747 -1.652
47 1HB ALA 9 1HB ALA 9 -15.374 -10.477 -2.049
48 2HB ALA 9 3HB ALA 9 -15.057 -9.143 -3.187
49 3HB ALA 9 2HB ALA 9 -14.538 -10.797 -3.568
50 H TRP 10 H TRP 10 -11.383 -7.972 -1.868
51 HA TRP 10 HA TRP 10 -10.688 -7.463 -4.459
52 1HB TRP 10 1HB TRP 10 -8.879 -6.381 -3.560
53 2HB TRP 10 2HB TRP 10 -10.043 -6.291 -2.287
54 HD1 TRP 10 HD1 TRP 10 -9.592 -8.023 -0.156
55 HE1 TRP 10 HE1 TRP 10 -7.480 -9.007 0.808
56 HE3 TRP 10 HE3 TRP 10 -6.426 -7.044 -4.071
57 HZ2 TRP 10 HZ2 TRP 10 -4.765 -9.558 -0.108
58 HZ3 TRP 10 HZ3 TRP 10 -4.082 -7.799 -3.986
59 HH2 TRP 10 HH2 TRP 10 -3.244 -9.091 -2.014
60 H ARG 11 H ARG 11 -9.719 -10.117 -2.496
61 HA ARG 11 HA ARG 11 -8.817 -11.641 -4.802
62 1HB ARG 11 1HB ARG 11 -6.853 -10.032 -3.837
63 2HB ARG 11 2HB ARG 11 -6.573 -11.419 -2.790
64 1HG ARG 11 1HG ARG 11 -6.448 -12.860 -4.858
65 2HG ARG 11 2HG ARG 11 -6.837 -11.416 -5.822
66 1HD ARG 11 1HD ARG 11 -4.740 -10.368 -4.755
67 2HD ARG 11 2HD ARG 11 -4.275 -12.027 -4.335
68 HE ARG 11 HE ARG 11 -4.870 -12.337 -6.933
69 1HH1 ARG 11 1HH1 ARG 11 -3.781 -11.719 -8.914
70 2HH1 ARG 11 2HH1 ARG 11 -2.854 -10.262 -8.931
71 1HH2 ARG 11 1HH2 ARG 11 -2.969 -9.780 -5.443
72 2HH2 ARG 11 2HH2 ARG 11 -2.483 -9.024 -6.937
73 H CYS 12 H CYS 12 -10.824 -11.956 -2.958
74 HA CYS 12 HA CYS 12 -11.955 -13.498 -1.873
75 1HB CYS 12 1HB CYS 12 -10.791 -14.919 -3.583
76 2HB CYS 12 2HB CYS 12 -9.640 -15.382 -2.332
No H/Q in entry = 76
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 -17.015 -14.177 4.107
2 H2 GLY 1 H2 GLY 1 -17.034 -15.757 4.610
3 H3 GLY 1 H3 GLY 1 -16.417 -14.576 5.584
4 1HA GLY 1 2HA GLY 1 -15.308 -15.603 3.082
5 2HA GLY 1 1HA GLY 1 -14.548 -15.664 4.680
6 H CYS 2 H CYS 2 -13.840 -14.300 1.992
7 HA CYS 2 HA CYS 2 -14.534 -11.475 2.565
8 1HB CYS 2 1HB CYS 2 -11.851 -12.637 2.260
9 2HB CYS 2 2HB CYS 2 -12.196 -11.476 1.005
10 H CYS 3 H CYS 3 -14.313 -14.143 0.263
11 HA CYS 3 HA CYS 3 -14.318 -12.770 -2.144
12 1HB CYS 3 1HB CYS 3 -15.872 -15.279 -1.579
13 2HB CYS 3 2HB CYS 3 -15.163 -14.797 -3.106
14 H SER 4 H SER 4 -17.204 -13.756 -0.192
15 HA SER 4 HA SER 4 -18.979 -12.549 -2.166
16 1HB SER 4 1HB SER 4 -20.698 -13.551 -0.703
17 2HB SER 4 2HB SER 4 -19.538 -14.687 -1.397
18 HG SER 4 HG SER 4 -20.047 -14.042 1.199
19 H ASP 5 H ASP 5 -18.177 -12.034 1.351
20 HA ASP 5 HA ASP 5 -19.923 -9.800 1.631
21 1HB ASP 5 1HB ASP 5 -18.695 -9.503 3.754
22 2HB ASP 5 2HB ASP 5 -19.521 -11.025 3.556
23 HA PRO 6 HA PRO 6 -17.209 -7.762 -1.096
24 1HB PRO 6 1HB PRO 6 -18.466 -5.358 -1.508
25 2HB PRO 6 2HB PRO 6 -19.168 -6.923 -2.013
26 1HG PRO 6 2HG PRO 6 -19.694 -5.414 0.574
27 2HG PRO 6 1HG PRO 6 -20.888 -6.010 -0.619
28 1HD PRO 6 1HD PRO 6 -20.276 -7.481 1.565
29 2HD PRO 6 2HD PRO 6 -20.497 -8.272 -0.029
30 H LEU 7 H LEU 7 -16.145 -5.624 -1.524
31 HA LEU 7 HA LEU 7 -14.794 -3.928 -1.174
32 1HB LEU 7 1HB LEU 7 -15.247 -3.966 1.811
33 2HB LEU 7 2HB LEU 7 -14.526 -2.715 0.827
34 HG LEU 7 HG LEU 7 -17.466 -3.519 0.841
35 1HD1 LEU 7 1HD1 LEU 7 -16.722 -2.200 2.768
36 2HD1 LEU 7 2HD1 LEU 7 -16.041 -0.964 1.692
37 3HD1 LEU 7 3HD1 LEU 7 -17.794 -1.252 1.731
38 1HD2 LEU 7 1HD2 LEU 7 -15.969 -1.526 -0.901
39 2HD2 LEU 7 2HD2 LEU 7 -16.963 -2.898 -1.432
40 3HD2 LEU 7 3HD2 LEU 7 -17.722 -1.501 -0.665
41 H CYS 8 H CYS 8 -14.557 -6.914 0.414
42 HA CYS 8 HA CYS 8 -11.622 -6.804 0.027
43 1HB CYS 8 1HB CYS 8 -11.187 -8.263 1.796
44 2HB CYS 8 2HB CYS 8 -12.068 -6.881 2.415
45 H ALA 9 H ALA 9 -14.106 -7.633 -1.652
46 HA ALA 9 HA ALA 9 -14.081 -10.437 -2.051
47 1HB ALA 9 1HB ALA 9 -15.162 -9.941 -4.160
48 2HB ALA 9 3HB ALA 9 -15.807 -8.914 -2.876
49 3HB ALA 9 2HB ALA 9 -14.663 -8.242 -4.067
50 H TRP 10 H TRP 10 -12.100 -7.871 -3.613
51 HA TRP 10 HA TRP 10 -10.489 -9.473 -5.186
52 1HB TRP 10 1HB TRP 10 -9.186 -7.579 -5.358
53 2HB TRP 10 2HB TRP 10 -10.769 -6.937 -5.061
54 HD1 TRP 10 HD1 TRP 10 -10.905 -6.945 -1.967
55 HE1 TRP 10 HE1 TRP 10 -9.524 -5.280 -0.590
56 HE3 TRP 10 HE3 TRP 10 -7.270 -5.926 -5.400
57 HZ2 TRP 10 HZ2 TRP 10 -7.245 -3.574 -1.015
58 HZ3 TRP 10 HZ3 TRP 10 -5.545 -4.247 -4.910
59 HH2 TRP 10 HH2 TRP 10 -5.564 -3.002 -2.743
60 H ARG 11 H ARG 11 -10.488 -9.453 -1.750
61 HA ARG 11 HA ARG 11 -7.702 -10.336 -1.445
62 1HB ARG 11 1HB ARG 11 -9.396 -9.087 0.296
63 2HB ARG 11 2HB ARG 11 -9.723 -10.759 0.730
64 1HG ARG 11 1HG ARG 11 -7.981 -10.256 2.168
65 2HG ARG 11 2HG ARG 11 -7.090 -10.982 0.841
66 1HD ARG 11 1HD ARG 11 -5.901 -8.980 1.433
67 2HD ARG 11 2HD ARG 11 -6.711 -8.637 -0.090
68 HE ARG 11 HE ARG 11 -7.860 -6.968 0.921
69 1HH1 ARG 11 1HH1 ARG 11 -8.963 -5.822 2.594
70 2HH1 ARG 11 2HH1 ARG 11 -8.900 -6.485 4.206
71 1HH2 ARG 11 1HH2 ARG 11 -6.573 -9.001 3.621
72 2HH2 ARG 11 2HH2 ARG 11 -7.421 -8.024 4.792
73 H CYS 12 H CYS 12 -10.605 -11.798 -2.500
74 HA CYS 12 HA CYS 12 -10.363 -14.419 -1.406
75 1HB CYS 12 1HB CYS 12 -12.310 -13.320 -2.638
76 2HB CYS 12 2HB CYS 12 -11.417 -13.594 -4.129
No H/Q in entry = 76
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 -19.102 -14.386 2.899
2 H2 GLY 1 H2 GLY 1 -19.305 -15.365 4.204
3 H3 GLY 1 H3 GLY 1 -19.088 -13.735 4.411
4 1HA GLY 1 2HA GLY 1 -17.137 -15.689 3.440
5 2HA GLY 1 1HA GLY 1 -17.086 -14.793 4.968
6 H CYS 2 H CYS 2 -14.844 -14.471 3.711
7 HA CYS 2 HA CYS 2 -14.704 -11.719 3.095
8 1HB CYS 2 1HB CYS 2 -12.933 -13.771 3.800
9 2HB CYS 2 2HB CYS 2 -12.378 -13.245 2.222
10 H CYS 3 H CYS 3 -14.555 -14.608 0.881
11 HA CYS 3 HA CYS 3 -14.002 -13.013 -1.420
12 1HB CYS 3 1HB CYS 3 -15.433 -15.651 -1.317
13 2HB CYS 3 2HB CYS 3 -14.718 -14.906 -2.733
14 H SER 4 H SER 4 -16.997 -13.446 0.356
15 HA SER 4 HA SER 4 -18.612 -12.552 -1.949
16 1HB SER 4 1HB SER 4 -20.530 -13.171 -0.570
17 2HB SER 4 2HB SER 4 -19.431 -14.507 -0.888
18 HG SER 4 HG SER 4 -19.771 -13.037 1.518
19 H ASP 5 H ASP 5 -17.357 -11.178 1.204
20 HA ASP 5 HA ASP 5 -19.309 -9.114 1.106
21 1HB ASP 5 1HB ASP 5 -18.478 -8.326 2.976
22 2HB ASP 5 2HB ASP 5 -18.225 -10.023 3.140
23 HA PRO 6 HA PRO 6 -17.076 -7.340 -2.255
24 1HB PRO 6 1HB PRO 6 -18.601 -5.162 -2.874
25 2HB PRO 6 2HB PRO 6 -19.221 -6.829 -2.990
26 1HG PRO 6 2HG PRO 6 -19.525 -4.905 -0.663
27 2HG PRO 6 1HG PRO 6 -20.812 -5.801 -1.537
28 1HD PRO 6 1HD PRO 6 -19.712 -6.738 0.785
29 2HD PRO 6 2HD PRO 6 -20.186 -7.846 -0.539
30 H LEU 7 H LEU 7 -16.052 -6.661 0.422
31 HA LEU 7 HA LEU 7 -14.244 -4.601 -0.553
32 1HB LEU 7 1HB LEU 7 -14.289 -3.273 1.465
33 2HB LEU 7 2HB LEU 7 -15.794 -3.263 0.591
34 HG LEU 7 HG LEU 7 -16.603 -5.053 2.337
35 1HD1 LEU 7 1HD1 LEU 7 -14.305 -3.719 3.856
36 2HD1 LEU 7 2HD1 LEU 7 -15.599 -4.680 4.578
37 3HD1 LEU 7 3HD1 LEU 7 -14.451 -5.456 3.484
38 1HD2 LEU 7 1HD2 LEU 7 -16.148 -2.135 3.074
39 2HD2 LEU 7 2HD2 LEU 7 -17.496 -2.779 2.107
40 3HD2 LEU 7 3HD2 LEU 7 -17.346 -3.224 3.808
41 H CYS 8 H CYS 8 -14.701 -7.622 0.418
42 HA CYS 8 HA CYS 8 -11.808 -7.813 0.856
43 1HB CYS 8 1HB CYS 8 -12.979 -8.500 2.951
44 2HB CYS 8 2HB CYS 8 -13.832 -9.725 2.025
45 H ALA 9 H ALA 9 -14.560 -8.632 -0.883
46 HA ALA 9 HA ALA 9 -13.932 -10.997 -2.149
47 1HB ALA 9 1HB ALA 9 -15.389 -10.229 -4.007
48 2HB ALA 9 3HB ALA 9 -16.088 -9.847 -2.421
49 3HB ALA 9 2HB ALA 9 -15.297 -8.568 -3.379
50 H TRP 10 H TRP 10 -12.626 -7.741 -3.020
51 HA TRP 10 HA TRP 10 -11.274 -8.390 -5.324
52 1HB TRP 10 1HB TRP 10 -10.158 -6.403 -4.960
53 2HB TRP 10 2HB TRP 10 -11.665 -6.142 -4.142
54 HD1 TRP 10 HD1 TRP 10 -11.306 -7.051 -1.334
55 HE1 TRP 10 HE1 TRP 10 -9.459 -6.385 0.274
56 HE3 TRP 10 HE3 TRP 10 -7.913 -5.236 -4.695
57 HZ2 TRP 10 HZ2 TRP 10 -7.048 -4.750 0.181
58 HZ3 TRP 10 HZ3 TRP 10 -5.917 -3.977 -3.893
59 HH2 TRP 10 HH2 TRP 10 -5.501 -3.713 -1.467
60 H ARG 11 H ARG 11 -10.478 -9.391 -2.127
61 HA ARG 11 HA ARG 11 -8.291 -11.028 -3.029
62 1HB ARG 11 1HB ARG 11 -7.296 -8.624 -2.912
63 2HB ARG 11 2HB ARG 11 -7.386 -8.782 -1.158
64 1HG ARG 11 1HG ARG 11 -5.964 -10.811 -1.274
65 2HG ARG 11 2HG ARG 11 -6.052 -10.784 -3.043
66 1HD ARG 11 1HD ARG 11 -4.965 -8.481 -2.951
67 2HD ARG 11 2HD ARG 11 -4.610 -8.810 -1.247
68 HE ARG 11 HE ARG 11 -3.516 -10.953 -2.105
69 1HH1 ARG 11 1HH1 ARG 11 -2.102 -11.772 -3.498
70 2HH1 ARG 11 2HH1 ARG 11 -1.547 -10.941 -4.936
71 1HH2 ARG 11 1HH2 ARG 11 -3.479 -8.018 -4.171
72 2HH2 ARG 11 2HH2 ARG 11 -2.326 -8.703 -5.265
73 H CYS 12 H CYS 12 -10.066 -12.294 -2.074
74 HA CYS 12 HA CYS 12 -9.871 -12.626 0.844
75 1HB CYS 12 2HB CYS 12 -11.280 -14.557 0.527
76 2HB CYS 12 1HB CYS 12 -12.008 -13.084 -0.108
No H/Q in entry = 76
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