NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
5393 |
1hd9   |
cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H CYS 2 H CYS 2 -1.909 -4.729 0.458
2 HA CYS 2 HA CYS 2 -0.266 -2.816 1.961
3 1HB CYS 2 1HB CYS 2 -0.869 -3.220 -0.926
4 2HB CYS 2 2HB CYS 2 -0.597 -1.569 -0.380
5 H THR 3 H THR 3 -1.004 -0.755 2.443
6 HA THR 3 HA THR 3 -3.873 -0.524 2.715
7 HB THR 3 HB THR 3 -3.469 1.191 4.233
8 HG1 THR 3 HG1 THR 3 -0.964 1.621 2.975
9 1HG2 THR 3 1HG2 THR 3 -1.632 -0.990 4.370
10 2HG2 THR 3 2HG2 THR 3 -0.866 0.475 4.983
11 3HG2 THR 3 3HG2 THR 3 -2.389 -0.080 5.678
12 H ALA 4 H ALA 4 -5.032 1.437 2.089
13 HA ALA 4 HA ALA 4 -4.493 2.114 -0.645
14 1HB ALA 4 1HB ALA 4 -6.749 2.061 0.978
15 2HB ALA 4 2HB ALA 4 -6.508 3.767 0.603
16 3HB ALA 4 3HB ALA 4 -6.665 2.591 -0.702
17 H SER 5 H SER 5 -2.281 2.965 0.384
18 HA SER 5 HA SER 5 -2.586 5.850 0.886
19 1HB SER 5 1HB SER 5 -0.303 5.740 1.861
20 2HB SER 5 2HB SER 5 -1.448 4.702 2.707
21 HG SER 5 HG SER 5 0.820 3.948 1.822
22 H ILE 6 H ILE 6 -0.910 7.253 -0.041
23 HA ILE 6 HA ILE 6 0.166 6.206 -2.574
24 HB ILE 6 HB ILE 6 -1.057 8.935 -2.162
25 1HG1 ILE 6 1HG1 ILE 6 -2.768 7.204 -2.270
26 2HG1 ILE 6 2HG1 ILE 6 -2.773 8.143 -3.760
27 1HG2 ILE 6 1HG2 ILE 6 0.804 7.942 -4.097
28 2HG2 ILE 6 2HG2 ILE 6 -0.718 8.350 -4.890
29 3HG2 ILE 6 3HG2 ILE 6 0.129 9.563 -3.929
30 1HD1 ILE 6 1HD1 ILE 6 -1.337 6.307 -4.748
31 2HD1 ILE 6 2HD1 ILE 6 -1.747 5.362 -3.317
32 3HD1 ILE 6 3HD1 ILE 6 -3.021 5.907 -4.410
33 HA PRO 7 HA PRO 7 1.833 5.693 -3.353
34 1HB PRO 7 1HB PRO 7 4.140 4.444 -2.695
35 2HB PRO 7 2HB PRO 7 4.087 5.816 -3.807
36 1HG PRO 7 1HG PRO 7 4.800 5.762 -0.900
37 2HG PRO 7 2HG PRO 7 5.592 6.627 -2.230
38 1HD PRO 7 1HD PRO 7 3.870 7.829 -0.508
39 2HD PRO 7 2HD PRO 7 4.055 8.338 -2.199
40 HA PRO 8 HA PRO 8 0.193 2.756 -0.488
41 1HB PRO 8 1HB PRO 8 0.246 0.512 -2.002
42 2HB PRO 8 2HB PRO 8 -0.893 1.832 -2.295
43 1HG PRO 8 1HG PRO 8 1.685 1.212 -3.685
44 2HG PRO 8 2HG PRO 8 0.132 1.708 -4.379
45 1HD PRO 8 1HD PRO 8 2.193 3.433 -4.000
46 2HD PRO 8 2HD PRO 8 0.493 3.934 -3.911
47 H GLN 9 H GLN 9 0.913 1.409 1.082
48 HA GLN 9 HA GLN 9 3.542 0.138 0.714
49 1HB GLN 9 1HB GLN 9 2.656 1.343 3.329
50 2HB GLN 9 2HB GLN 9 4.263 0.791 2.877
51 1HG GLN 9 1HG GLN 9 4.804 2.782 2.080
52 2HG GLN 9 2HG GLN 9 3.352 2.845 1.082
53 2HE2 GLN 9 2HE2 GLN 9 4.417 3.235 4.438
54 1HE2 GLN 9 1HE2 GLN 9 3.328 4.521 4.817
55 H CYS 10 H CYS 10 3.941 -1.682 2.166
56 HA CYS 10 HA CYS 10 1.436 -3.024 2.949
57 1HB CYS 10 1HB CYS 10 3.836 -4.006 1.485
58 2HB CYS 10 2HB CYS 10 3.045 -5.123 2.592
59 H TYR 11 H TYR 11 1.388 -4.162 4.873
60 HA TYR 11 HA TYR 11 3.521 -3.470 6.756
61 1HB TYR 11 1HB TYR 11 1.475 -2.807 7.664
62 2HB TYR 11 2HB TYR 11 0.635 -4.233 7.064
63 HD1 TYR 11 HD1 TYR 11 0.999 -6.435 8.194
64 HD2 TYR 11 HD2 TYR 11 2.493 -2.791 9.807
65 HE1 TYR 11 HE1 TYR 11 1.276 -7.523 10.382
66 HE2 TYR 11 HE2 TYR 11 2.774 -3.869 11.999
67 HH TYR 11 HH TYR 11 1.840 -7.258 12.513
No H/Q in entry = 67
Start of MODEL 2
1 H CYS 2 H CYS 2 -1.600 -3.667 -0.854
2 HA CYS 2 HA CYS 2 -0.413 -3.033 1.755
3 1HB CYS 2 1HB CYS 2 -0.172 -1.714 -0.951
4 2HB CYS 2 2HB CYS 2 0.464 -0.997 0.526
5 H THR 3 H THR 3 -0.807 -0.825 2.604
6 HA THR 3 HA THR 3 -3.542 -0.359 2.985
7 HB THR 3 HB THR 3 -2.887 1.618 4.201
8 HG1 THR 3 HG1 THR 3 -0.800 1.588 2.447
9 1HG2 THR 3 1HG2 THR 3 -2.217 -0.663 5.118
10 2HG2 THR 3 2HG2 THR 3 -0.579 -0.241 4.620
11 3HG2 THR 3 3HG2 THR 3 -1.427 0.760 5.798
12 H ALA 4 H ALA 4 -4.901 1.329 2.302
13 HA ALA 4 HA ALA 4 -4.617 2.038 -0.442
14 1HB ALA 4 1HB ALA 4 -6.775 1.620 0.875
15 2HB ALA 4 2HB ALA 4 -6.603 3.287 1.425
16 3HB ALA 4 3HB ALA 4 -6.766 2.938 -0.296
17 H SER 5 H SER 5 -2.380 3.042 0.398
18 HA SER 5 HA SER 5 -2.848 5.940 0.664
19 1HB SER 5 1HB SER 5 -0.731 6.109 1.886
20 2HB SER 5 2HB SER 5 -1.825 4.993 2.702
21 HG SER 5 HG SER 5 0.412 4.370 1.083
22 H ILE 6 H ILE 6 -1.081 7.285 -0.249
23 HA ILE 6 HA ILE 6 0.159 5.994 -2.589
24 HB ILE 6 HB ILE 6 -0.740 8.859 -2.607
25 1HG1 ILE 6 1HG1 ILE 6 -2.472 7.092 -4.110
26 2HG1 ILE 6 2HG1 ILE 6 -2.473 6.663 -2.402
27 1HG2 ILE 6 1HG2 ILE 6 0.924 7.882 -4.271
28 2HG2 ILE 6 2HG2 ILE 6 -0.439 6.969 -4.919
29 3HG2 ILE 6 3HG2 ILE 6 -0.472 8.732 -4.934
30 1HD1 ILE 6 1HD1 ILE 6 -2.876 9.489 -3.298
31 2HD1 ILE 6 2HD1 ILE 6 -4.210 8.338 -3.225
32 3HD1 ILE 6 3HD1 ILE 6 -3.309 8.738 -1.762
33 HA PRO 7 HA PRO 7 1.822 5.468 -3.326
34 1HB PRO 7 1HB PRO 7 4.130 4.248 -2.651
35 2HB PRO 7 2HB PRO 7 4.082 5.618 -3.768
36 1HG PRO 7 1HG PRO 7 4.774 5.571 -0.854
37 2HG PRO 7 2HG PRO 7 5.570 6.438 -2.180
38 1HD PRO 7 1HD PRO 7 3.813 7.619 -0.464
39 2HD PRO 7 2HD PRO 7 4.044 8.153 -2.141
40 HA PRO 8 HA PRO 8 0.176 2.642 -0.342
41 1HB PRO 8 1HB PRO 8 0.028 0.410 -1.859
42 2HB PRO 8 2HB PRO 8 -1.050 1.790 -2.097
43 1HG PRO 8 1HG PRO 8 1.420 1.034 -3.610
44 2HG PRO 8 2HG PRO 8 -0.138 1.610 -4.230
45 1HD PRO 8 1HD PRO 8 2.028 3.225 -3.951
46 2HD PRO 8 2HD PRO 8 0.361 3.813 -3.793
47 H GLN 9 H GLN 9 1.030 1.432 1.242
48 HA GLN 9 HA GLN 9 3.463 -0.119 0.675
49 1HB GLN 9 1HB GLN 9 4.556 0.652 2.608
50 2HB GLN 9 2HB GLN 9 3.874 2.099 1.878
51 1HG GLN 9 1HG GLN 9 1.990 1.980 3.453
52 2HG GLN 9 2HG GLN 9 2.733 0.570 4.207
53 2HE2 GLN 9 2HE2 GLN 9 2.200 2.603 5.815
54 1HE2 GLN 9 1HE2 GLN 9 3.633 3.461 6.255
55 H CYS 10 H CYS 10 3.836 -1.913 2.103
56 HA CYS 10 HA CYS 10 1.344 -2.915 3.313
57 1HB CYS 10 1HB CYS 10 3.618 -4.332 1.938
58 2HB CYS 10 2HB CYS 10 2.504 -5.193 2.995
59 H TYR 11 H TYR 11 1.576 -4.308 5.202
60 HA TYR 11 HA TYR 11 3.692 -3.313 6.961
61 1HB TYR 11 1HB TYR 11 2.247 -4.396 8.760
62 2HB TYR 11 2HB TYR 11 1.552 -3.011 7.926
63 HD1 TYR 11 HD1 TYR 11 1.739 -6.689 7.247
64 HD2 TYR 11 HD2 TYR 11 -0.713 -3.228 7.589
65 HE1 TYR 11 HE1 TYR 11 -0.236 -8.037 6.671
66 HE2 TYR 11 HE2 TYR 11 -2.693 -4.566 7.014
67 HH TYR 11 HH TYR 11 -2.921 -7.701 7.225
No H/Q in entry = 67
Start of MODEL 3
1 H CYS 2 H CYS 2 -2.096 -4.886 0.537
2 HA CYS 2 HA CYS 2 -0.432 -2.994 2.041
3 1HB CYS 2 1HB CYS 2 -1.326 -2.762 -0.835
4 2HB CYS 2 2HB CYS 2 -0.060 -1.843 -0.031
5 H THR 3 H THR 3 -1.104 -0.849 2.376
6 HA THR 3 HA THR 3 -3.984 -0.570 2.645
7 HB THR 3 HB THR 3 -3.495 1.375 4.000
8 HG1 THR 3 HG1 THR 3 -1.006 1.161 2.775
9 1HG2 THR 3 1HG2 THR 3 -2.973 -1.029 4.869
10 2HG2 THR 3 2HG2 THR 3 -1.307 -0.452 4.844
11 3HG2 THR 3 3HG2 THR 3 -2.517 0.389 5.813
12 H ALA 4 H ALA 4 -5.024 1.501 2.048
13 HA ALA 4 HA ALA 4 -4.389 2.155 -0.686
14 1HB ALA 4 1HB ALA 4 -6.724 1.854 0.252
15 2HB ALA 4 2HB ALA 4 -6.523 3.439 0.999
16 3HB ALA 4 3HB ALA 4 -6.463 3.277 -0.756
17 H SER 5 H SER 5 -2.216 3.009 0.217
18 HA SER 5 HA SER 5 -2.507 5.859 0.898
19 1HB SER 5 1HB SER 5 -0.007 5.538 1.582
20 2HB SER 5 2HB SER 5 -1.276 4.955 2.659
21 HG SER 5 HG SER 5 0.684 3.558 1.696
22 H ILE 6 H ILE 6 -0.780 7.283 0.027
23 HA ILE 6 HA ILE 6 0.118 6.388 -2.635
24 HB ILE 6 HB ILE 6 -1.001 9.086 -1.877
25 1HG1 ILE 6 1HG1 ILE 6 -1.911 7.020 -3.892
26 2HG1 ILE 6 2HG1 ILE 6 -2.672 7.334 -2.336
27 1HG2 ILE 6 1HG2 ILE 6 0.724 8.238 -4.119
28 2HG2 ILE 6 2HG2 ILE 6 -0.646 9.271 -4.526
29 3HG2 ILE 6 3HG2 ILE 6 0.550 9.816 -3.352
30 1HD1 ILE 6 1HD1 ILE 6 -2.412 9.392 -4.509
31 2HD1 ILE 6 2HD1 ILE 6 -3.820 8.352 -4.296
32 3HD1 ILE 6 3HD1 ILE 6 -3.370 9.497 -3.032
33 HA PRO 7 HA PRO 7 1.687 5.693 -3.388
34 1HB PRO 7 1HB PRO 7 3.909 4.247 -2.879
35 2HB PRO 7 2HB PRO 7 3.924 5.659 -3.942
36 1HG PRO 7 1HG PRO 7 4.755 5.440 -1.074
37 2HG PRO 7 2HG PRO 7 5.557 6.287 -2.410
38 1HD PRO 7 1HD PRO 7 4.005 7.551 -0.565
39 2HD PRO 7 2HD PRO 7 4.183 8.120 -2.238
40 HA PRO 8 HA PRO 8 0.112 2.578 -0.693
41 1HB PRO 8 1HB PRO 8 0.715 0.251 -1.942
42 2HB PRO 8 2HB PRO 8 -0.498 1.378 -2.558
43 1HG PRO 8 1HG PRO 8 2.350 1.008 -3.406
44 2HG PRO 8 2HG PRO 8 0.903 1.236 -4.409
45 1HD PRO 8 1HD PRO 8 2.636 3.248 -3.852
46 2HD PRO 8 2HD PRO 8 0.900 3.519 -4.106
47 H GLN 9 H GLN 9 0.664 1.402 1.084
48 HA GLN 9 HA GLN 9 3.497 0.640 1.365
49 1HB GLN 9 1HB GLN 9 3.597 1.474 3.520
50 2HB GLN 9 2HB GLN 9 2.563 2.658 2.734
51 1HG GLN 9 1HG GLN 9 1.282 2.324 4.547
52 2HG GLN 9 2HG GLN 9 0.695 0.950 3.611
53 2HE2 GLN 9 2HE2 GLN 9 3.688 1.484 5.429
54 1HE2 GLN 9 1HE2 GLN 9 3.509 0.112 6.464
55 H CYS 10 H CYS 10 3.916 -1.386 2.026
56 HA CYS 10 HA CYS 10 1.654 -3.018 2.974
57 1HB CYS 10 1HB CYS 10 3.896 -4.253 1.425
58 2HB CYS 10 2HB CYS 10 2.228 -4.790 1.595
59 H TYR 11 H TYR 11 1.983 -4.203 4.766
60 HA TYR 11 HA TYR 11 4.606 -3.993 6.046
61 1HB TYR 11 1HB TYR 11 3.320 -4.846 8.070
62 2HB TYR 11 2HB TYR 11 2.873 -3.249 7.481
63 HD1 TYR 11 HD1 TYR 11 1.895 -6.827 7.011
64 HD2 TYR 11 HD2 TYR 11 0.626 -2.774 7.256
65 HE1 TYR 11 HE1 TYR 11 -0.447 -7.557 6.834
66 HE2 TYR 11 HE2 TYR 11 -1.720 -3.491 7.080
67 HH TYR 11 HH TYR 11 -2.594 -6.733 6.266
No H/Q in entry = 67
Start of MODEL 4
1 H CYS 2 H CYS 2 -2.198 -4.693 0.324
2 HA CYS 2 HA CYS 2 -0.485 -3.081 2.076
3 1HB CYS 2 1HB CYS 2 -1.018 -3.139 -0.851
4 2HB CYS 2 2HB CYS 2 -0.636 -1.578 -0.132
5 H THR 3 H THR 3 -0.987 -0.751 2.253
6 HA THR 3 HA THR 3 -3.849 -0.402 2.728
7 HB THR 3 HB THR 3 -3.282 1.354 4.203
8 HG1 THR 3 HG1 THR 3 -0.628 1.314 3.220
9 1HG2 THR 3 1HG2 THR 3 -1.983 -1.122 4.506
10 2HG2 THR 3 2HG2 THR 3 -0.840 0.130 4.995
11 3HG2 THR 3 3HG2 THR 3 -2.430 0.041 5.755
12 H ALA 4 H ALA 4 -5.077 1.193 1.801
13 HA ALA 4 HA ALA 4 -4.353 2.071 -0.782
14 1HB ALA 4 1HB ALA 4 -6.605 2.943 1.023
15 2HB ALA 4 2HB ALA 4 -6.665 1.704 -0.230
16 3HB ALA 4 3HB ALA 4 -6.448 3.396 -0.673
17 H SER 5 H SER 5 -2.228 2.969 0.319
18 HA SER 5 HA SER 5 -2.641 5.820 0.927
19 1HB SER 5 1HB SER 5 -0.431 5.768 2.000
20 2HB SER 5 2HB SER 5 -1.502 4.561 2.711
21 HG SER 5 HG SER 5 -0.448 3.122 1.040
22 H ILE 6 H ILE 6 -0.930 7.293 0.124
23 HA ILE 6 HA ILE 6 0.098 6.409 -2.493
24 HB ILE 6 HB ILE 6 -0.910 9.165 -1.778
25 1HG1 ILE 6 1HG1 ILE 6 -2.081 7.003 -3.542
26 2HG1 ILE 6 2HG1 ILE 6 -2.750 7.591 -2.024
27 1HG2 ILE 6 1HG2 ILE 6 0.547 8.060 -4.117
28 2HG2 ILE 6 2HG2 ILE 6 -0.712 9.258 -4.417
29 3HG2 ILE 6 3HG2 ILE 6 0.650 9.652 -3.366
30 1HD1 ILE 6 1HD1 ILE 6 -2.916 9.856 -3.152
31 2HD1 ILE 6 2HD1 ILE 6 -2.594 9.004 -4.662
32 3HD1 ILE 6 3HD1 ILE 6 -4.021 8.599 -3.708
33 HA PRO 7 HA PRO 7 1.666 5.800 -3.285
34 1HB PRO 7 1HB PRO 7 3.933 4.396 -2.923
35 2HB PRO 7 2HB PRO 7 3.900 5.893 -3.861
36 1HG PRO 7 1HG PRO 7 4.770 5.450 -1.031
37 2HG PRO 7 2HG PRO 7 5.531 6.434 -2.295
38 1HD PRO 7 1HD PRO 7 3.948 7.471 -0.325
39 2HD PRO 7 2HD PRO 7 4.128 8.211 -1.926
40 HA PRO 8 HA PRO 8 0.174 2.577 -0.659
41 1HB PRO 8 1HB PRO 8 0.319 0.416 -2.268
42 2HB PRO 8 2HB PRO 8 -0.830 1.728 -2.554
43 1HG PRO 8 1HG PRO 8 1.810 1.203 -3.866
44 2HG PRO 8 2HG PRO 8 0.277 1.705 -4.600
45 1HD PRO 8 1HD PRO 8 2.305 3.438 -4.052
46 2HD PRO 8 2HD PRO 8 0.595 3.914 -4.056
47 H GLN 9 H GLN 9 1.018 1.410 0.960
48 HA GLN 9 HA GLN 9 3.559 0.004 0.521
49 1HB GLN 9 1HB GLN 9 3.106 2.273 2.238
50 2HB GLN 9 2HB GLN 9 3.569 0.874 3.198
51 1HG GLN 9 1HG GLN 9 5.645 0.718 2.221
52 2HG GLN 9 2HG GLN 9 5.140 1.572 0.764
53 2HE2 GLN 9 2HE2 GLN 9 6.404 3.297 0.645
54 1HE2 GLN 9 1HE2 GLN 9 6.664 4.444 1.911
55 H CYS 10 H CYS 10 3.981 -1.715 2.061
56 HA CYS 10 HA CYS 10 1.496 -2.817 3.200
57 1HB CYS 10 1HB CYS 10 3.684 -4.067 1.621
58 2HB CYS 10 2HB CYS 10 2.968 -5.031 2.908
59 H TYR 11 H TYR 11 1.746 -4.180 5.095
60 HA TYR 11 HA TYR 11 3.869 -3.164 6.839
61 1HB TYR 11 1HB TYR 11 1.083 -3.927 7.213
62 2HB TYR 11 2HB TYR 11 2.140 -4.673 8.405
63 HD1 TYR 11 HD1 TYR 11 0.857 -1.491 7.097
64 HD2 TYR 11 HD2 TYR 11 3.265 -3.345 10.074
65 HE1 TYR 11 HE1 TYR 11 0.886 0.611 8.374
66 HE2 TYR 11 HE2 TYR 11 3.300 -1.249 11.360
67 HH TYR 11 HH TYR 11 3.021 1.240 10.833
No H/Q in entry = 67
Start of MODEL 5
1 H CYS 2 H CYS 2 -2.143 -4.454 0.257
2 HA CYS 2 HA CYS 2 -0.330 -2.971 2.027
3 1HB CYS 2 1HB CYS 2 -0.943 -2.808 -0.907
4 2HB CYS 2 2HB CYS 2 -0.242 -1.425 -0.072
5 H THR 3 H THR 3 -0.721 -0.671 2.345
6 HA THR 3 HA THR 3 -3.432 -0.173 3.088
7 HB THR 3 HB THR 3 -2.590 2.037 3.806
8 HG1 THR 3 HG1 THR 3 -0.978 2.050 2.006
9 1HG2 THR 3 1HG2 THR 3 -0.825 -0.270 4.576
10 2HG2 THR 3 2HG2 THR 3 -0.841 1.295 5.388
11 3HG2 THR 3 3HG2 THR 3 -2.284 0.281 5.397
12 H ALA 4 H ALA 4 -4.753 1.594 2.365
13 HA ALA 4 HA ALA 4 -4.587 1.959 -0.512
14 1HB ALA 4 1HB ALA 4 -6.695 1.498 1.111
15 2HB ALA 4 2HB ALA 4 -6.781 3.253 0.962
16 3HB ALA 4 3HB ALA 4 -6.821 2.242 -0.483
17 H SER 5 H SER 5 -2.519 3.283 0.220
18 HA SER 5 HA SER 5 -3.312 6.094 0.045
19 1HB SER 5 1HB SER 5 -1.558 6.725 1.692
20 2HB SER 5 2HB SER 5 -2.849 5.761 2.409
21 HG SER 5 HG SER 5 -0.495 5.208 2.819
22 H ILE 6 H ILE 6 -1.479 7.501 -0.612
23 HA ILE 6 HA ILE 6 0.321 6.030 -2.420
24 HB ILE 6 HB ILE 6 -0.677 8.869 -2.668
25 1HG1 ILE 6 1HG1 ILE 6 -1.306 6.869 -4.744
26 2HG1 ILE 6 2HG1 ILE 6 -2.095 6.602 -3.192
27 1HG2 ILE 6 1HG2 ILE 6 1.660 8.244 -3.552
28 2HG2 ILE 6 2HG2 ILE 6 0.785 7.335 -4.785
29 3HG2 ILE 6 3HG2 ILE 6 0.545 9.076 -4.637
30 1HD1 ILE 6 1HD1 ILE 6 -2.804 9.053 -3.349
31 2HD1 ILE 6 2HD1 ILE 6 -2.346 8.935 -5.048
32 3HD1 ILE 6 3HD1 ILE 6 -3.608 7.886 -4.400
33 HA PRO 7 HA PRO 7 2.093 5.693 -3.085
34 1HB PRO 7 1HB PRO 7 4.364 4.482 -2.315
35 2HB PRO 7 2HB PRO 7 4.381 5.998 -3.225
36 1HG PRO 7 1HG PRO 7 4.736 5.549 -0.287
37 2HG PRO 7 2HG PRO 7 5.635 6.626 -1.370
38 1HD PRO 7 1HD PRO 7 3.614 7.465 0.275
39 2HD PRO 7 2HD PRO 7 4.048 8.275 -1.242
40 HA PRO 8 HA PRO 8 0.271 2.480 -0.635
41 1HB PRO 8 1HB PRO 8 0.342 0.453 -2.415
42 2HB PRO 8 2HB PRO 8 -0.747 1.833 -2.600
43 1HG PRO 8 1HG PRO 8 1.885 1.307 -3.927
44 2HG PRO 8 2HG PRO 8 0.381 1.926 -4.633
45 1HD PRO 8 1HD PRO 8 2.464 3.532 -3.935
46 2HD PRO 8 2HD PRO 8 0.773 4.070 -3.900
47 H GLN 9 H GLN 9 1.245 1.471 1.002
48 HA GLN 9 HA GLN 9 3.608 -0.189 0.426
49 1HB GLN 9 1HB GLN 9 3.687 2.134 1.876
50 2HB GLN 9 2HB GLN 9 3.463 0.931 3.139
51 1HG GLN 9 1HG GLN 9 5.794 1.290 2.877
52 2HG GLN 9 2HG GLN 9 5.420 -0.302 2.219
53 2HE2 GLN 9 2HE2 GLN 9 6.843 2.694 1.637
54 1HE2 GLN 9 1HE2 GLN 9 7.149 2.504 -0.053
55 H CYS 10 H CYS 10 3.966 -1.943 1.959
56 HA CYS 10 HA CYS 10 1.432 -2.909 3.109
57 1HB CYS 10 1HB CYS 10 3.600 -4.270 1.591
58 2HB CYS 10 2HB CYS 10 2.813 -5.184 2.873
59 H TYR 11 H TYR 11 2.312 -1.468 4.924
60 HA TYR 11 HA TYR 11 4.226 -2.958 6.588
61 1HB TYR 11 1HB TYR 11 3.691 -0.108 6.165
62 2HB TYR 11 2HB TYR 11 3.821 -0.552 7.864
63 HD1 TYR 11 HD1 TYR 11 5.896 -2.193 8.353
64 HD2 TYR 11 HD2 TYR 11 5.629 0.544 5.106
65 HE1 TYR 11 HE1 TYR 11 8.348 -2.177 8.172
66 HE2 TYR 11 HE2 TYR 11 8.080 0.567 4.917
67 HH TYR 11 HH TYR 11 9.997 -1.207 5.605
No H/Q in entry = 67
Start of MODEL 6
1 H CYS 2 H CYS 2 -1.446 -3.667 -0.978
2 HA CYS 2 HA CYS 2 -0.428 -2.998 1.688
3 1HB CYS 2 1HB CYS 2 -0.270 -1.411 -0.884
4 2HB CYS 2 2HB CYS 2 0.524 -1.006 0.634
5 H THR 3 H THR 3 -1.037 -0.918 2.636
6 HA THR 3 HA THR 3 -3.842 -0.608 2.753
7 HB THR 3 HB THR 3 -3.441 1.135 4.327
8 HG1 THR 3 HG1 THR 3 -1.812 2.450 4.183
9 1HG2 THR 3 1HG2 THR 3 -2.420 -1.283 4.766
10 2HG2 THR 3 2HG2 THR 3 -0.938 -0.330 4.861
11 3HG2 THR 3 3HG2 THR 3 -2.294 0.039 5.926
12 H ALA 4 H ALA 4 -5.091 1.294 2.251
13 HA ALA 4 HA ALA 4 -4.702 2.201 -0.392
14 1HB ALA 4 1HB ALA 4 -6.677 2.592 1.732
15 2HB ALA 4 2HB ALA 4 -6.903 2.372 -0.003
16 3HB ALA 4 3HB ALA 4 -6.507 3.966 0.640
17 H SER 5 H SER 5 -2.357 2.869 0.354
18 HA SER 5 HA SER 5 -2.420 5.747 0.991
19 1HB SER 5 1HB SER 5 0.005 5.358 1.718
20 2HB SER 5 2HB SER 5 -1.253 4.696 2.765
21 HG SER 5 HG SER 5 -0.638 2.731 2.275
22 H ILE 6 H ILE 6 -0.841 7.088 -0.075
23 HA ILE 6 HA ILE 6 0.142 5.963 -2.615
24 HB ILE 6 HB ILE 6 -1.052 8.708 -2.218
25 1HG1 ILE 6 1HG1 ILE 6 -2.077 6.156 -3.416
26 2HG1 ILE 6 2HG1 ILE 6 -2.890 7.276 -2.328
27 1HG2 ILE 6 1HG2 ILE 6 0.920 8.253 -3.897
28 2HG2 ILE 6 2HG2 ILE 6 -0.374 7.579 -4.887
29 3HG2 ILE 6 3HG2 ILE 6 -0.453 9.260 -4.357
30 1HD1 ILE 6 1HD1 ILE 6 -2.683 8.905 -4.371
31 2HD1 ILE 6 2HD1 ILE 6 -2.554 7.397 -5.276
32 3HD1 ILE 6 3HD1 ILE 6 -3.978 7.711 -4.283
33 HA PRO 7 HA PRO 7 1.764 5.426 -3.459
34 1HB PRO 7 1HB PRO 7 4.093 4.172 -2.899
35 2HB PRO 7 2HB PRO 7 3.997 5.535 -4.021
36 1HG PRO 7 1HG PRO 7 4.842 5.503 -1.148
37 2HG PRO 7 2HG PRO 7 5.580 6.347 -2.523
38 1HD PRO 7 1HD PRO 7 3.945 7.582 -0.739
39 2HD PRO 7 2HD PRO 7 4.060 8.074 -2.441
40 HA PRO 8 HA PRO 8 0.030 2.520 -0.632
41 1HB PRO 8 1HB PRO 8 1.171 0.430 -2.413
42 2HB PRO 8 2HB PRO 8 -0.498 0.670 -1.884
43 1HG PRO 8 1HG PRO 8 0.249 1.294 -4.365
44 2HG PRO 8 2HG PRO 8 -0.909 2.302 -3.478
45 1HD PRO 8 1HD PRO 8 1.988 2.778 -4.034
46 2HD PRO 8 2HD PRO 8 0.642 3.936 -3.983
47 H GLN 9 H GLN 9 0.658 1.359 1.131
48 HA GLN 9 HA GLN 9 3.468 0.497 1.271
49 1HB GLN 9 1HB GLN 9 2.766 2.692 2.535
50 2HB GLN 9 2HB GLN 9 2.093 1.565 3.704
51 1HG GLN 9 1HG GLN 9 4.129 0.837 4.392
52 2HG GLN 9 2HG GLN 9 4.882 1.109 2.820
53 2HE2 GLN 9 2HE2 GLN 9 2.958 3.554 4.351
54 1HE2 GLN 9 1HE2 GLN 9 4.258 4.617 4.756
55 H CYS 10 H CYS 10 3.803 -1.491 2.075
56 HA CYS 10 HA CYS 10 1.455 -2.939 3.100
57 1HB CYS 10 1HB CYS 10 3.787 -3.741 1.425
58 2HB CYS 10 2HB CYS 10 3.098 -4.946 2.507
59 H TYR 11 H TYR 11 1.432 -3.337 5.202
60 HA TYR 11 HA TYR 11 3.940 -3.241 6.707
61 1HB TYR 11 1HB TYR 11 1.073 -2.809 7.362
62 2HB TYR 11 2HB TYR 11 2.095 -3.461 8.638
63 HD1 TYR 11 HD1 TYR 11 2.923 -0.973 5.992
64 HD2 TYR 11 HD2 TYR 11 2.359 -1.704 10.145
65 HE1 TYR 11 HE1 TYR 11 3.728 1.296 6.494
66 HE2 TYR 11 HE2 TYR 11 3.162 0.562 10.659
67 HH TYR 11 HH TYR 11 4.722 2.282 9.452
No H/Q in entry = 67
Start of MODEL 7
1 H CYS 2 H CYS 2 -2.001 -4.302 0.017
2 HA CYS 2 HA CYS 2 -0.337 -2.821 1.933
3 1HB CYS 2 1HB CYS 2 -0.849 -2.513 -1.012
4 2HB CYS 2 2HB CYS 2 -0.221 -1.168 -0.064
5 H THR 3 H THR 3 -0.876 -0.581 2.375
6 HA THR 3 HA THR 3 -3.681 -0.268 2.910
7 HB THR 3 HB THR 3 -2.893 1.984 3.830
8 HG1 THR 3 HG1 THR 3 -0.908 2.522 3.501
9 1HG2 THR 3 1HG2 THR 3 -2.591 -0.613 4.904
10 2HG2 THR 3 2HG2 THR 3 -1.182 0.338 5.372
11 3HG2 THR 3 3HG2 THR 3 -2.804 0.916 5.757
12 H ALA 4 H ALA 4 -5.037 1.395 2.158
13 HA ALA 4 HA ALA 4 -4.666 2.061 -0.595
14 1HB ALA 4 1HB ALA 4 -6.815 2.154 1.341
15 2HB ALA 4 2HB ALA 4 -6.885 2.004 -0.415
16 3HB ALA 4 3HB ALA 4 -6.782 3.599 0.331
17 H SER 5 H SER 5 -2.501 3.132 0.357
18 HA SER 5 HA SER 5 -3.054 6.022 0.516
19 1HB SER 5 1HB SER 5 -1.027 6.264 1.897
20 2HB SER 5 2HB SER 5 -2.209 5.209 2.670
21 HG SER 5 HG SER 5 0.294 4.624 1.637
22 H ILE 6 H ILE 6 -1.198 7.368 -0.236
23 HA ILE 6 HA ILE 6 0.210 6.057 -2.469
24 HB ILE 6 HB ILE 6 -0.878 8.872 -2.413
25 1HG1 ILE 6 1HG1 ILE 6 -2.599 7.089 -2.665
26 2HG1 ILE 6 2HG1 ILE 6 -2.461 8.123 -4.085
27 1HG2 ILE 6 1HG2 ILE 6 1.316 8.075 -3.749
28 2HG2 ILE 6 2HG2 ILE 6 0.070 7.665 -4.928
29 3HG2 ILE 6 3HG2 ILE 6 0.213 9.320 -4.335
30 1HD1 ILE 6 1HD1 ILE 6 -0.865 6.278 -4.955
31 2HD1 ILE 6 2HD1 ILE 6 -1.647 5.277 -3.731
32 3HD1 ILE 6 3HD1 ILE 6 -2.610 6.022 -5.007
33 HA PRO 7 HA PRO 7 1.899 5.636 -3.248
34 1HB PRO 7 1HB PRO 7 4.202 4.383 -2.642
35 2HB PRO 7 2HB PRO 7 4.169 5.858 -3.616
36 1HG PRO 7 1HG PRO 7 4.788 5.523 -0.706
37 2HG PRO 7 2HG PRO 7 5.609 6.526 -1.917
38 1HD PRO 7 1HD PRO 7 3.789 7.509 -0.135
39 2HD PRO 7 2HD PRO 7 4.073 8.220 -1.736
40 HA PRO 8 HA PRO 8 0.249 2.445 -0.681
41 1HB PRO 8 1HB PRO 8 0.626 0.263 -2.253
42 2HB PRO 8 2HB PRO 8 -0.595 1.494 -2.594
43 1HG PRO 8 1HG PRO 8 2.130 1.148 -3.784
44 2HG PRO 8 2HG PRO 8 0.600 1.547 -4.588
45 1HD PRO 8 1HD PRO 8 2.464 3.418 -3.990
46 2HD PRO 8 2HD PRO 8 0.724 3.771 -3.996
47 H GLN 9 H GLN 9 0.993 1.303 1.004
48 HA GLN 9 HA GLN 9 3.672 0.098 0.807
49 1HB GLN 9 1HB GLN 9 3.508 2.268 2.172
50 2HB GLN 9 2HB GLN 9 2.602 1.319 3.344
51 1HG GLN 9 1HG GLN 9 5.169 1.647 3.610
52 2HG GLN 9 2HG GLN 9 4.425 0.091 3.974
53 2HE2 GLN 9 2HE2 GLN 9 6.723 1.742 2.117
54 1HE2 GLN 9 1HE2 GLN 9 7.214 0.427 1.110
55 H CYS 10 H CYS 10 4.055 -1.683 2.294
56 HA CYS 10 HA CYS 10 1.590 -3.009 3.201
57 1HB CYS 10 1HB CYS 10 3.698 -4.020 1.362
58 2HB CYS 10 2HB CYS 10 3.034 -5.158 2.529
59 H TYR 11 H TYR 11 1.750 -3.008 5.352
60 HA TYR 11 HA TYR 11 4.357 -3.460 6.604
61 1HB TYR 11 1HB TYR 11 2.271 -1.730 7.216
62 2HB TYR 11 2HB TYR 11 2.128 -3.003 8.424
63 HD1 TYR 11 HD1 TYR 11 4.787 -0.890 6.853
64 HD2 TYR 11 HD2 TYR 11 3.302 -2.732 10.389
65 HE1 TYR 11 HE1 TYR 11 6.604 0.143 8.146
66 HE2 TYR 11 HE2 TYR 11 5.116 -1.703 11.693
67 HH TYR 11 HH TYR 11 6.724 -0.073 11.646
No H/Q in entry = 67
Start of MODEL 8
1 H CYS 2 H CYS 2 -1.687 -4.047 -0.625
2 HA CYS 2 HA CYS 2 -0.342 -3.046 1.786
3 1HB CYS 2 1HB CYS 2 -0.361 -2.186 -1.084
4 2HB CYS 2 2HB CYS 2 0.017 -1.009 0.169
5 H THR 3 H THR 3 -0.884 -0.781 2.424
6 HA THR 3 HA THR 3 -3.725 -0.556 2.775
7 HB THR 3 HB THR 3 -3.246 1.230 4.272
8 HG1 THR 3 HG1 THR 3 -0.558 1.335 3.458
9 1HG2 THR 3 1HG2 THR 3 -1.535 -1.121 4.399
10 2HG2 THR 3 2HG2 THR 3 -0.891 0.273 5.266
11 3HG2 THR 3 3HG2 THR 3 -2.498 -0.343 5.655
12 H ALA 4 H ALA 4 -5.025 1.243 2.180
13 HA ALA 4 HA ALA 4 -4.609 2.128 -0.482
14 1HB ALA 4 1HB ALA 4 -6.645 2.743 1.626
15 2HB ALA 4 2HB ALA 4 -6.846 1.891 0.096
16 3HB ALA 4 3HB ALA 4 -6.618 3.638 0.107
17 H SER 5 H SER 5 -2.349 2.960 0.414
18 HA SER 5 HA SER 5 -2.656 5.841 0.959
19 1HB SER 5 1HB SER 5 -0.263 5.626 1.875
20 2HB SER 5 2HB SER 5 -1.565 4.952 2.855
21 HG SER 5 HG SER 5 0.243 3.530 2.619
22 H ILE 6 H ILE 6 -0.859 7.190 0.102
23 HA ILE 6 HA ILE 6 0.170 6.112 -2.440
24 HB ILE 6 HB ILE 6 -0.433 9.023 -2.164
25 1HG1 ILE 6 1HG1 ILE 6 -2.684 8.299 -3.340
26 2HG1 ILE 6 2HG1 ILE 6 -2.422 6.807 -2.444
27 1HG2 ILE 6 1HG2 ILE 6 -0.123 7.035 -4.372
28 2HG2 ILE 6 2HG2 ILE 6 -1.014 8.532 -4.649
29 3HG2 ILE 6 3HG2 ILE 6 0.675 8.591 -4.143
30 1HD1 ILE 6 1HD1 ILE 6 -2.032 8.970 -0.661
31 2HD1 ILE 6 2HD1 ILE 6 -3.536 9.243 -1.540
32 3HD1 ILE 6 3HD1 ILE 6 -3.297 7.742 -0.648
33 HA PRO 7 HA PRO 7 1.728 5.616 -3.359
34 1HB PRO 7 1HB PRO 7 4.029 4.248 -3.094
35 2HB PRO 7 2HB PRO 7 3.947 5.773 -3.985
36 1HG PRO 7 1HG PRO 7 4.891 5.259 -1.191
37 2HG PRO 7 2HG PRO 7 5.606 6.294 -2.442
38 1HD PRO 7 1HD PRO 7 4.049 7.241 -0.404
39 2HD PRO 7 2HD PRO 7 4.184 8.034 -1.986
40 HA PRO 8 HA PRO 8 0.028 2.412 -0.849
41 1HB PRO 8 1HB PRO 8 1.066 0.537 -2.914
42 2HB PRO 8 2HB PRO 8 -0.578 0.734 -2.296
43 1HG PRO 8 1HG PRO 8 0.088 1.648 -4.708
44 2HG PRO 8 2HG PRO 8 -1.014 2.558 -3.658
45 1HD PRO 8 1HD PRO 8 1.868 3.053 -4.267
46 2HD PRO 8 2HD PRO 8 0.550 4.217 -4.020
47 H GLN 9 H GLN 9 0.837 1.461 0.907
48 HA GLN 9 HA GLN 9 3.473 0.168 0.732
49 1HB GLN 9 1HB GLN 9 3.553 2.444 1.834
50 2HB GLN 9 2HB GLN 9 2.547 1.776 3.112
51 1HG GLN 9 1HG GLN 9 4.647 1.551 4.003
52 2HG GLN 9 2HG GLN 9 4.400 -0.033 3.270
53 2HE2 GLN 9 2HE2 GLN 9 5.739 -0.702 1.693
54 1HE2 GLN 9 1HE2 GLN 9 7.052 0.229 1.063
55 H CYS 10 H CYS 10 3.838 -1.535 2.245
56 HA CYS 10 HA CYS 10 1.344 -2.701 3.295
57 1HB CYS 10 1HB CYS 10 3.767 -3.982 2.053
58 2HB CYS 10 2HB CYS 10 2.680 -4.901 3.088
59 H TYR 11 H TYR 11 1.759 -4.291 5.123
60 HA TYR 11 HA TYR 11 3.503 -2.973 7.067
61 1HB TYR 11 1HB TYR 11 2.180 -3.963 8.767
62 2HB TYR 11 2HB TYR 11 1.044 -3.430 7.533
63 HD1 TYR 11 HD1 TYR 11 3.013 -6.468 8.465
64 HD2 TYR 11 HD2 TYR 11 -0.612 -4.901 6.883
65 HE1 TYR 11 HE1 TYR 11 2.090 -8.743 8.345
66 HE2 TYR 11 HE2 TYR 11 -1.546 -7.173 6.760
67 HH TYR 11 HH TYR 11 0.361 -9.968 7.132
No H/Q in entry = 67
Start of MODEL 9
1 H CYS 2 H CYS 2 -1.928 -4.723 0.663
2 HA CYS 2 HA CYS 2 -0.318 -2.723 2.091
3 1HB CYS 2 1HB CYS 2 -0.988 -3.165 -0.789
4 2HB CYS 2 2HB CYS 2 -0.635 -1.529 -0.243
5 H THR 3 H THR 3 -1.093 -0.570 2.307
6 HA THR 3 HA THR 3 -3.999 -0.457 2.593
7 HB THR 3 HB THR 3 -3.674 1.338 4.097
8 HG1 THR 3 HG1 THR 3 -1.360 2.117 4.288
9 1HG2 THR 3 1HG2 THR 3 -1.475 -0.671 4.413
10 2HG2 THR 3 2HG2 THR 3 -1.754 0.617 5.584
11 3HG2 THR 3 3HG2 THR 3 -3.015 -0.575 5.267
12 H ALA 4 H ALA 4 -5.206 1.379 1.864
13 HA ALA 4 HA ALA 4 -4.541 2.160 -0.790
14 1HB ALA 4 1HB ALA 4 -6.774 2.771 1.094
15 2HB ALA 4 2HB ALA 4 -6.817 1.988 -0.486
16 3HB ALA 4 3HB ALA 4 -6.584 3.732 -0.373
17 H SER 5 H SER 5 -2.373 3.002 0.320
18 HA SER 5 HA SER 5 -2.702 5.879 0.858
19 1HB SER 5 1HB SER 5 -0.273 5.608 1.732
20 2HB SER 5 2HB SER 5 -1.594 4.992 2.723
21 HG SER 5 HG SER 5 0.229 3.531 2.409
22 H ILE 6 H ILE 6 -0.909 7.267 0.055
23 HA ILE 6 HA ILE 6 0.163 6.280 -2.504
24 HB ILE 6 HB ILE 6 -0.518 9.166 -2.210
25 1HG1 ILE 6 1HG1 ILE 6 -2.514 7.739 -1.480
26 2HG1 ILE 6 2HG1 ILE 6 -2.791 8.886 -2.787
27 1HG2 ILE 6 1HG2 ILE 6 0.443 7.479 -4.239
28 2HG2 ILE 6 2HG2 ILE 6 -1.192 7.946 -4.711
29 3HG2 ILE 6 3HG2 ILE 6 0.014 9.185 -4.363
30 1HD1 ILE 6 1HD1 ILE 6 -2.029 6.568 -4.084
31 2HD1 ILE 6 2HD1 ILE 6 -3.052 6.011 -2.759
32 3HD1 ILE 6 3HD1 ILE 6 -3.669 7.193 -3.913
33 HA PRO 7 HA PRO 7 1.766 5.696 -3.250
34 1HB PRO 7 1HB PRO 7 4.059 4.370 -2.788
35 2HB PRO 7 2HB PRO 7 4.011 5.837 -3.775
36 1HG PRO 7 1HG PRO 7 4.818 5.506 -0.910
37 2HG PRO 7 2HG PRO 7 5.589 6.466 -2.186
38 1HD PRO 7 1HD PRO 7 3.930 7.529 -0.294
39 2HD PRO 7 2HD PRO 7 4.133 8.218 -1.917
40 HA PRO 8 HA PRO 8 0.200 2.632 -0.474
41 1HB PRO 8 1HB PRO 8 0.182 0.459 -2.089
42 2HB PRO 8 2HB PRO 8 -0.952 1.800 -2.286
43 1HG PRO 8 1HG PRO 8 1.573 1.220 -3.785
44 2HG PRO 8 2HG PRO 8 0.003 1.762 -4.406
45 1HD PRO 8 1HD PRO 8 2.097 3.448 -4.014
46 2HD PRO 8 2HD PRO 8 0.404 3.961 -3.853
47 H GLN 9 H GLN 9 1.100 1.455 1.106
48 HA GLN 9 HA GLN 9 3.611 0.026 0.531
49 1HB GLN 9 1HB GLN 9 3.066 1.260 3.213
50 2HB GLN 9 2HB GLN 9 4.603 0.760 2.521
51 1HG GLN 9 1HG GLN 9 3.985 2.651 0.765
52 2HG GLN 9 2HG GLN 9 3.071 3.263 2.141
53 2HE2 GLN 9 2HE2 GLN 9 5.927 3.478 0.598
54 1HE2 GLN 9 1HE2 GLN 9 6.943 3.982 1.903
55 H CYS 10 H CYS 10 4.072 -1.761 2.004
56 HA CYS 10 HA CYS 10 1.604 -2.973 3.067
57 1HB CYS 10 1HB CYS 10 3.804 -4.101 1.405
58 2HB CYS 10 2HB CYS 10 3.072 -5.151 2.612
59 H TYR 11 H TYR 11 1.624 -3.101 5.203
60 HA TYR 11 HA TYR 11 4.172 -3.125 6.630
61 1HB TYR 11 1HB TYR 11 2.781 -1.513 7.578
62 2HB TYR 11 2HB TYR 11 1.339 -2.506 7.395
63 HD1 TYR 11 HD1 TYR 11 4.472 -2.148 9.349
64 HD2 TYR 11 HD2 TYR 11 0.592 -3.884 9.154
65 HE1 TYR 11 HE1 TYR 11 4.684 -2.873 11.690
66 HE2 TYR 11 HE2 TYR 11 0.794 -4.612 11.494
67 HH TYR 11 HH TYR 11 3.076 -3.434 13.596
No H/Q in entry = 67
Start of MODEL 10
1 H CYS 2 H CYS 2 -1.641 -3.610 -0.589
2 HA CYS 2 HA CYS 2 -0.391 -2.760 1.920
3 1HB CYS 2 1HB CYS 2 -0.482 -1.215 -0.671
4 2HB CYS 2 2HB CYS 2 0.612 -0.983 0.687
5 H THR 3 H THR 3 -0.828 -0.463 2.593
6 HA THR 3 HA THR 3 -3.601 -0.131 3.067
7 HB THR 3 HB THR 3 -2.848 2.129 3.992
8 HG1 THR 3 HG1 THR 3 -0.981 2.632 3.104
9 1HG2 THR 3 1HG2 THR 3 -2.422 -0.477 5.024
10 2HG2 THR 3 2HG2 THR 3 -1.058 0.539 5.488
11 3HG2 THR 3 3HG2 THR 3 -2.703 1.030 5.898
12 H ALA 4 H ALA 4 -5.080 1.278 2.206
13 HA ALA 4 HA ALA 4 -4.776 2.020 -0.494
14 1HB ALA 4 1HB ALA 4 -6.889 1.764 1.255
15 2HB ALA 4 2HB ALA 4 -6.854 3.493 0.908
16 3HB ALA 4 3HB ALA 4 -6.983 2.332 -0.412
17 H SER 5 H SER 5 -2.625 3.165 0.099
18 HA SER 5 HA SER 5 -3.191 6.029 0.094
19 1HB SER 5 1HB SER 5 -1.199 6.367 1.654
20 2HB SER 5 2HB SER 5 -2.675 5.748 2.395
21 HG SER 5 HG SER 5 -0.631 4.032 1.467
22 H ILE 6 H ILE 6 -1.576 7.296 -0.909
23 HA ILE 6 HA ILE 6 0.283 5.725 -2.563
24 HB ILE 6 HB ILE 6 -1.055 8.369 -3.119
25 1HG1 ILE 6 1HG1 ILE 6 -1.170 6.206 -5.098
26 2HG1 ILE 6 2HG1 ILE 6 -1.932 5.799 -3.564
27 1HG2 ILE 6 1HG2 ILE 6 1.092 6.959 -4.696
28 2HG2 ILE 6 2HG2 ILE 6 0.156 8.338 -5.271
29 3HG2 ILE 6 3HG2 ILE 6 1.228 8.519 -3.883
30 1HD1 ILE 6 1HD1 ILE 6 -2.934 8.278 -4.016
31 2HD1 ILE 6 2HD1 ILE 6 -2.781 7.652 -5.658
32 3HD1 ILE 6 3HD1 ILE 6 -3.730 6.769 -4.461
33 HA PRO 7 HA PRO 7 2.083 5.395 -3.199
34 1HB PRO 7 1HB PRO 7 4.389 4.400 -2.229
35 2HB PRO 7 2HB PRO 7 4.358 5.752 -3.365
36 1HG PRO 7 1HG PRO 7 4.690 5.786 -0.391
37 2HG PRO 7 2HG PRO 7 5.562 6.714 -1.625
38 1HD PRO 7 1HD PRO 7 3.502 7.735 -0.152
39 2HD PRO 7 2HD PRO 7 3.902 8.290 -1.789
40 HA PRO 8 HA PRO 8 0.278 2.457 -0.428
41 1HB PRO 8 1HB PRO 8 0.809 0.159 -1.800
42 2HB PRO 8 2HB PRO 8 -0.456 1.300 -2.267
43 1HG PRO 8 1HG PRO 8 2.314 0.993 -3.356
44 2HG PRO 8 2HG PRO 8 0.792 1.260 -4.226
45 1HD PRO 8 1HD PRO 8 2.543 3.257 -3.746
46 2HD PRO 8 2HD PRO 8 0.788 3.526 -3.778
47 H GLN 9 H GLN 9 0.868 1.135 1.252
48 HA GLN 9 HA GLN 9 3.678 0.267 1.362
49 1HB GLN 9 1HB GLN 9 2.107 1.856 3.340
50 2HB GLN 9 2HB GLN 9 3.295 0.709 3.943
51 1HG GLN 9 1HG GLN 9 5.058 1.916 3.183
52 2HG GLN 9 2HG GLN 9 4.164 2.565 1.809
53 2HE2 GLN 9 2HE2 GLN 9 3.611 2.621 5.313
54 1HE2 GLN 9 1HE2 GLN 9 3.485 4.340 5.439
55 H CYS 10 H CYS 10 3.945 -1.815 1.822
56 HA CYS 10 HA CYS 10 1.662 -3.293 2.954
57 1HB CYS 10 1HB CYS 10 3.610 -3.944 0.803
58 2HB CYS 10 2HB CYS 10 3.085 -5.266 1.839
59 H TYR 11 H TYR 11 2.086 -3.405 5.091
60 HA TYR 11 HA TYR 11 4.786 -4.112 5.973
61 1HB TYR 11 1HB TYR 11 2.919 -2.337 6.983
62 2HB TYR 11 2HB TYR 11 2.789 -3.718 8.068
63 HD1 TYR 11 HD1 TYR 11 5.174 -1.255 6.658
64 HD2 TYR 11 HD2 TYR 11 4.437 -4.129 9.707
65 HE1 TYR 11 HE1 TYR 11 7.185 -0.495 7.853
66 HE2 TYR 11 HE2 TYR 11 6.444 -3.376 10.910
67 HH TYR 11 HH TYR 11 8.691 -2.189 10.182
No H/Q in entry = 67
Start of MODEL 11
1 H CYS 2 H CYS 2 -2.234 -4.332 -0.072
2 HA CYS 2 HA CYS 2 -0.423 -3.090 1.875
3 1HB CYS 2 1HB CYS 2 -0.836 -2.781 -1.070
4 2HB CYS 2 2HB CYS 2 -0.196 -1.419 -0.157
5 H THR 3 H THR 3 -0.724 -0.909 2.517
6 HA THR 3 HA THR 3 -3.431 -0.233 3.051
7 HB THR 3 HB THR 3 -2.345 1.951 3.876
8 HG1 THR 3 HG1 THR 3 -0.432 1.997 2.836
9 1HG2 THR 3 1HG2 THR 3 -2.883 0.039 5.359
10 2HG2 THR 3 2HG2 THR 3 -1.256 -0.580 5.073
11 3HG2 THR 3 3HG2 THR 3 -1.479 0.977 5.870
12 H ALA 4 H ALA 4 -4.806 1.076 2.006
13 HA ALA 4 HA ALA 4 -4.279 1.893 -0.644
14 1HB ALA 4 1HB ALA 4 -6.516 2.683 1.219
15 2HB ALA 4 2HB ALA 4 -6.523 1.347 0.068
16 3HB ALA 4 3HB ALA 4 -6.476 3.010 -0.513
17 H SER 5 H SER 5 -2.196 3.021 0.312
18 HA SER 5 HA SER 5 -2.846 5.874 0.662
19 1HB SER 5 1HB SER 5 -0.762 6.114 1.934
20 2HB SER 5 2HB SER 5 -1.814 4.911 2.683
21 HG SER 5 HG SER 5 0.678 4.622 1.656
22 H ILE 6 H ILE 6 -1.126 7.356 -0.133
23 HA ILE 6 HA ILE 6 0.138 6.269 -2.566
24 HB ILE 6 HB ILE 6 -0.923 9.067 -2.161
25 1HG1 ILE 6 1HG1 ILE 6 -2.819 7.679 -2.398
26 2HG1 ILE 6 2HG1 ILE 6 -2.520 8.307 -4.015
27 1HG2 ILE 6 1HG2 ILE 6 0.535 7.721 -4.401
28 2HG2 ILE 6 2HG2 ILE 6 -0.556 9.070 -4.716
29 3HG2 ILE 6 3HG2 ILE 6 0.837 9.291 -3.657
30 1HD1 ILE 6 1HD1 ILE 6 -1.076 6.009 -4.054
31 2HD1 ILE 6 2HD1 ILE 6 -2.425 5.566 -3.008
32 3HD1 ILE 6 3HD1 ILE 6 -2.733 6.175 -4.635
33 HA PRO 7 HA PRO 7 1.768 5.699 -3.277
34 1HB PRO 7 1HB PRO 7 4.044 4.375 -2.728
35 2HB PRO 7 2HB PRO 7 4.030 5.834 -3.726
36 1HG PRO 7 1HG PRO 7 4.738 5.524 -0.834
37 2HG PRO 7 2HG PRO 7 5.553 6.476 -2.090
38 1HD PRO 7 1HD PRO 7 3.830 7.552 -0.263
39 2HD PRO 7 2HD PRO 7 4.086 8.229 -1.883
40 HA PRO 8 HA PRO 8 0.121 2.638 -0.545
41 1HB PRO 8 1HB PRO 8 0.158 0.458 -2.144
42 2HB PRO 8 2HB PRO 8 -0.959 1.803 -2.401
43 1HG PRO 8 1HG PRO 8 1.627 1.197 -3.784
44 2HG PRO 8 2HG PRO 8 0.088 1.739 -4.478
45 1HD PRO 8 1HD PRO 8 2.172 3.420 -4.007
46 2HD PRO 8 2HD PRO 8 0.476 3.942 -3.936
47 H GLN 9 H GLN 9 0.934 1.425 1.057
48 HA GLN 9 HA GLN 9 3.439 -0.041 0.588
49 1HB GLN 9 1HB GLN 9 3.450 2.253 1.981
50 2HB GLN 9 2HB GLN 9 3.022 1.144 3.277
51 1HG GLN 9 1HG GLN 9 5.338 1.276 3.382
52 2HG GLN 9 2HG GLN 9 5.035 -0.232 2.518
53 2HE2 GLN 9 2HE2 GLN 9 7.416 0.446 2.089
54 1HE2 GLN 9 1HE2 GLN 9 7.674 1.294 0.607
55 H CYS 10 H CYS 10 3.831 -1.776 2.145
56 HA CYS 10 HA CYS 10 1.308 -2.887 3.186
57 1HB CYS 10 1HB CYS 10 3.563 -4.120 1.688
58 2HB CYS 10 2HB CYS 10 2.796 -5.095 2.937
59 H TYR 11 H TYR 11 1.280 -3.777 5.222
60 HA TYR 11 HA TYR 11 3.566 -3.090 6.915
61 1HB TYR 11 1HB TYR 11 1.782 -3.768 8.734
62 2HB TYR 11 2HB TYR 11 1.701 -2.199 7.940
63 HD1 TYR 11 HD1 TYR 11 0.425 -5.686 7.508
64 HD2 TYR 11 HD2 TYR 11 -0.329 -1.523 7.067
65 HE1 TYR 11 HE1 TYR 11 -1.868 -6.185 6.774
66 HE2 TYR 11 HE2 TYR 11 -2.624 -2.009 6.332
67 HH TYR 11 HH TYR 11 -3.644 -4.861 5.253
No H/Q in entry = 67
Start of MODEL 12
1 H CYS 2 H CYS 2 -2.410 -5.031 1.189
2 HA CYS 2 HA CYS 2 -0.442 -3.042 2.070
3 1HB CYS 2 1HB CYS 2 -1.657 -3.574 -0.646
4 2HB CYS 2 2HB CYS 2 -0.549 -2.250 -0.302
5 H THR 3 H THR 3 -0.975 -0.963 2.472
6 HA THR 3 HA THR 3 -3.775 -0.341 2.790
7 HB THR 3 HB THR 3 -2.615 1.957 3.469
8 HG1 THR 3 HG1 THR 3 -0.543 1.138 2.719
9 1HG2 THR 3 1HG2 THR 3 -3.789 0.322 4.979
10 2HG2 THR 3 2HG2 THR 3 -2.213 -0.419 5.254
11 3HG2 THR 3 3HG2 THR 3 -2.488 1.261 5.712
12 H ALA 4 H ALA 4 -4.838 1.474 1.870
13 HA ALA 4 HA ALA 4 -4.083 1.939 -0.880
14 1HB ALA 4 1HB ALA 4 -6.451 1.525 -0.049
15 2HB ALA 4 2HB ALA 4 -6.417 3.184 0.545
16 3HB ALA 4 3HB ALA 4 -6.228 2.861 -1.178
17 H SER 5 H SER 5 -2.095 2.986 0.473
18 HA SER 5 HA SER 5 -2.608 5.860 0.772
19 1HB SER 5 1HB SER 5 -0.354 5.912 1.847
20 2HB SER 5 2HB SER 5 -1.499 4.862 2.680
21 HG SER 5 HG SER 5 0.866 4.242 1.534
22 H ILE 6 H ILE 6 -0.878 7.331 -0.032
23 HA ILE 6 HA ILE 6 0.214 6.358 -2.592
24 HB ILE 6 HB ILE 6 -0.572 9.217 -2.096
25 1HG1 ILE 6 1HG1 ILE 6 -2.455 7.969 -3.808
26 2HG1 ILE 6 2HG1 ILE 6 -2.324 6.961 -2.370
27 1HG2 ILE 6 1HG2 ILE 6 0.873 8.012 -4.102
28 2HG2 ILE 6 2HG2 ILE 6 -0.748 8.135 -4.790
29 3HG2 ILE 6 3HG2 ILE 6 0.072 9.581 -4.200
30 1HD1 ILE 6 1HD1 ILE 6 -2.573 9.240 -1.119
31 2HD1 ILE 6 2HD1 ILE 6 -3.288 9.760 -2.645
32 3HD1 ILE 6 3HD1 ILE 6 -3.987 8.404 -1.760
33 HA PRO 7 HA PRO 7 1.803 5.675 -3.287
34 1HB PRO 7 1HB PRO 7 4.031 4.261 -2.755
35 2HB PRO 7 2HB PRO 7 4.057 5.698 -3.783
36 1HG PRO 7 1HG PRO 7 4.810 5.419 -0.899
37 2HG PRO 7 2HG PRO 7 5.639 6.307 -2.190
38 1HD PRO 7 1HD PRO 7 4.010 7.502 -0.359
39 2HD PRO 7 2HD PRO 7 4.250 8.123 -2.004
40 HA PRO 8 HA PRO 8 -0.132 2.677 -0.701
41 1HB PRO 8 1HB PRO 8 1.159 0.616 -2.416
42 2HB PRO 8 2HB PRO 8 -0.548 0.843 -2.020
43 1HG PRO 8 1HG PRO 8 0.390 1.515 -4.420
44 2HG PRO 8 2HG PRO 8 -0.834 2.509 -3.608
45 1HD PRO 8 1HD PRO 8 2.096 2.993 -3.928
46 2HD PRO 8 2HD PRO 8 0.750 4.151 -3.956
47 H GLN 9 H GLN 9 0.331 1.426 1.069
48 HA GLN 9 HA GLN 9 3.185 0.899 1.569
49 1HB GLN 9 1HB GLN 9 1.326 2.333 3.091
50 2HB GLN 9 2HB GLN 9 1.526 0.806 3.939
51 1HG GLN 9 1HG GLN 9 3.635 1.269 4.560
52 2HG GLN 9 2HG GLN 9 4.013 2.098 3.051
53 2HE2 GLN 9 2HE2 GLN 9 2.753 4.218 2.795
54 1HE2 GLN 9 1HE2 GLN 9 2.733 5.247 4.182
55 H CYS 10 H CYS 10 3.846 -1.096 2.218
56 HA CYS 10 HA CYS 10 1.804 -3.153 2.670
57 1HB CYS 10 1HB CYS 10 4.197 -3.517 0.855
58 2HB CYS 10 2HB CYS 10 2.967 -4.723 1.219
59 H TYR 11 H TYR 11 2.183 -3.662 4.738
60 HA TYR 11 HA TYR 11 4.928 -3.858 5.710
61 1HB TYR 11 1HB TYR 11 2.258 -3.526 6.952
62 2HB TYR 11 2HB TYR 11 3.432 -4.458 7.875
63 HD1 TYR 11 HD1 TYR 11 4.499 -1.747 5.653
64 HD2 TYR 11 HD2 TYR 11 3.527 -2.813 9.656
65 HE1 TYR 11 HE1 TYR 11 5.520 0.343 6.452
66 HE2 TYR 11 HE2 TYR 11 4.544 -0.726 10.465
67 HH TYR 11 HH TYR 11 6.252 1.454 8.283
No H/Q in entry = 67
Start of MODEL 13
1 H CYS 2 H CYS 2 -2.810 -4.846 1.528
2 HA CYS 2 HA CYS 2 -0.488 -3.073 1.817
3 1HB CYS 2 1HB CYS 2 -2.071 -3.568 -0.707
4 2HB CYS 2 2HB CYS 2 -1.044 -2.156 -0.484
5 H THR 3 H THR 3 -0.968 -0.871 2.013
6 HA THR 3 HA THR 3 -3.738 -0.334 2.806
7 HB THR 3 HB THR 3 -2.524 1.856 3.653
8 HG1 THR 3 HG1 THR 3 -0.370 0.105 3.957
9 1HG2 THR 3 1HG2 THR 3 -3.430 -0.282 4.949
10 2HG2 THR 3 2HG2 THR 3 -1.707 -0.474 5.271
11 3HG2 THR 3 3HG2 THR 3 -2.534 1.011 5.745
12 H ALA 4 H ALA 4 -4.975 1.224 1.867
13 HA ALA 4 HA ALA 4 -4.361 2.011 -0.784
14 1HB ALA 4 1HB ALA 4 -6.579 2.605 1.123
15 2HB ALA 4 2HB ALA 4 -6.626 1.781 -0.435
16 3HB ALA 4 3HB ALA 4 -6.438 3.532 -0.370
17 H SER 5 H SER 5 -2.197 2.935 0.236
18 HA SER 5 HA SER 5 -2.598 5.810 0.738
19 1HB SER 5 1HB SER 5 -0.058 5.495 1.495
20 2HB SER 5 2HB SER 5 -1.400 5.180 2.593
21 HG SER 5 HG SER 5 -1.062 3.070 2.436
22 H ILE 6 H ILE 6 -0.869 7.233 -0.122
23 HA ILE 6 HA ILE 6 0.230 6.216 -2.658
24 HB ILE 6 HB ILE 6 -0.777 9.031 -2.313
25 1HG1 ILE 6 1HG1 ILE 6 -2.415 7.327 -4.009
26 2HG1 ILE 6 2HG1 ILE 6 -2.390 6.757 -2.343
27 1HG2 ILE 6 1HG2 ILE 6 0.870 8.610 -4.088
28 2HG2 ILE 6 2HG2 ILE 6 -0.202 7.390 -4.775
29 3HG2 ILE 6 3HG2 ILE 6 -0.703 9.080 -4.736
30 1HD1 ILE 6 1HD1 ILE 6 -2.899 9.230 -1.763
31 2HD1 ILE 6 2HD1 ILE 6 -3.412 9.330 -3.447
32 3HD1 ILE 6 3HD1 ILE 6 -4.191 8.185 -2.355
33 HA PRO 7 HA PRO 7 1.877 5.604 -3.305
34 1HB PRO 7 1HB PRO 7 4.171 4.357 -2.637
35 2HB PRO 7 2HB PRO 7 4.136 5.725 -3.757
36 1HG PRO 7 1HG PRO 7 4.836 5.677 -0.845
37 2HG PRO 7 2HG PRO 7 5.644 6.526 -2.176
38 1HD PRO 7 1HD PRO 7 3.911 7.745 -0.464
39 2HD PRO 7 2HD PRO 7 4.140 8.262 -2.146
40 HA PRO 8 HA PRO 8 0.058 2.716 -0.512
41 1HB PRO 8 1HB PRO 8 1.217 0.585 -2.221
42 2HB PRO 8 2HB PRO 8 -0.469 0.890 -1.788
43 1HG PRO 8 1HG PRO 8 0.443 1.443 -4.236
44 2HG PRO 8 2HG PRO 8 -0.743 2.491 -3.437
45 1HD PRO 8 1HD PRO 8 2.196 2.891 -3.808
46 2HD PRO 8 2HD PRO 8 0.877 4.078 -3.888
47 H GLN 9 H GLN 9 0.614 1.514 1.255
48 HA GLN 9 HA GLN 9 3.463 0.813 1.541
49 1HB GLN 9 1HB GLN 9 1.858 2.547 3.130
50 2HB GLN 9 2HB GLN 9 2.236 1.129 4.098
51 1HG GLN 9 1HG GLN 9 4.636 1.805 2.873
52 2HG GLN 9 2HG GLN 9 3.914 3.344 3.339
53 2HE2 GLN 9 2HE2 GLN 9 2.852 3.156 5.632
54 1HE2 GLN 9 1HE2 GLN 9 3.890 2.493 6.844
55 H CYS 10 H CYS 10 3.752 -1.308 1.585
56 HA CYS 10 HA CYS 10 1.653 -2.991 2.790
57 1HB CYS 10 1HB CYS 10 3.648 -3.978 0.765
58 2HB CYS 10 2HB CYS 10 2.109 -4.695 1.229
59 H TYR 11 H TYR 11 2.948 -2.347 4.781
60 HA TYR 11 HA TYR 11 5.395 -3.924 5.087
61 1HB TYR 11 1HB TYR 11 4.679 -1.387 5.986
62 2HB TYR 11 2HB TYR 11 4.581 -2.397 7.425
63 HD1 TYR 11 HD1 TYR 11 6.907 -2.317 4.496
64 HD2 TYR 11 HD2 TYR 11 6.467 -2.132 8.723
65 HE1 TYR 11 HE1 TYR 11 9.351 -2.196 4.739
66 HE2 TYR 11 HE2 TYR 11 8.909 -2.009 8.979
67 HH TYR 11 HH TYR 11 11.030 -2.886 6.824
No H/Q in entry = 67
Start of MODEL 14
1 H CYS 2 H CYS 2 -1.734 -4.052 -0.497
2 HA CYS 2 HA CYS 2 -0.296 -2.945 1.808
3 1HB CYS 2 1HB CYS 2 -0.432 -2.182 -1.098
4 2HB CYS 2 2HB CYS 2 0.160 -1.047 0.112
5 H THR 3 H THR 3 -0.802 -0.798 2.550
6 HA THR 3 HA THR 3 -3.551 -0.397 2.997
7 HB THR 3 HB THR 3 -2.891 1.697 4.072
8 HG1 THR 3 HG1 THR 3 -0.602 2.227 3.986
9 1HG2 THR 3 1HG2 THR 3 -2.174 -0.706 4.980
10 2HG2 THR 3 2HG2 THR 3 -0.579 0.027 4.816
11 3HG2 THR 3 3HG2 THR 3 -1.804 0.796 5.825
12 H ALA 4 H ALA 4 -4.860 1.442 2.393
13 HA ALA 4 HA ALA 4 -4.626 2.023 -0.423
14 1HB ALA 4 1HB ALA 4 -6.783 1.518 0.852
15 2HB ALA 4 2HB ALA 4 -6.688 3.183 1.424
16 3HB ALA 4 3HB ALA 4 -6.813 2.851 -0.302
17 H SER 5 H SER 5 -2.446 3.126 0.441
18 HA SER 5 HA SER 5 -3.034 6.008 0.547
19 1HB SER 5 1HB SER 5 -1.022 6.309 1.967
20 2HB SER 5 2HB SER 5 -2.256 5.326 2.756
21 HG SER 5 HG SER 5 -0.476 4.150 3.046
22 H ILE 6 H ILE 6 -1.221 7.361 -0.245
23 HA ILE 6 HA ILE 6 0.236 5.981 -2.400
24 HB ILE 6 HB ILE 6 -0.565 8.885 -2.425
25 1HG1 ILE 6 1HG1 ILE 6 -2.045 7.362 -4.322
26 2HG1 ILE 6 2HG1 ILE 6 -2.232 6.588 -2.752
27 1HG2 ILE 6 1HG2 ILE 6 1.204 7.387 -3.991
28 2HG2 ILE 6 2HG2 ILE 6 -0.236 7.619 -4.983
29 3HG2 ILE 6 3HG2 ILE 6 0.604 9.015 -4.307
30 1HD1 ILE 6 1HD1 ILE 6 -2.618 9.181 -2.091
31 2HD1 ILE 6 2HD1 ILE 6 -3.263 9.147 -3.733
32 3HD1 ILE 6 3HD1 ILE 6 -3.906 8.050 -2.509
33 HA PRO 7 HA PRO 7 1.899 5.624 -3.282
34 1HB PRO 7 1HB PRO 7 4.219 4.342 -2.842
35 2HB PRO 7 2HB PRO 7 4.157 5.884 -3.704
36 1HG PRO 7 1HG PRO 7 4.874 5.336 -0.851
37 2HG PRO 7 2HG PRO 7 5.651 6.432 -2.010
38 1HD PRO 7 1HD PRO 7 3.878 7.255 -0.093
39 2HD PRO 7 2HD PRO 7 4.132 8.105 -1.629
40 HA PRO 8 HA PRO 8 0.123 2.327 -0.945
41 1HB PRO 8 1HB PRO 8 1.315 0.520 -2.983
42 2HB PRO 8 2HB PRO 8 -0.368 0.687 -2.473
43 1HG PRO 8 1HG PRO 8 0.450 1.657 -4.817
44 2HG PRO 8 2HG PRO 8 -0.734 2.533 -3.828
45 1HD PRO 8 1HD PRO 8 2.182 3.069 -4.215
46 2HD PRO 8 2HD PRO 8 0.835 4.214 -4.057
47 H GLN 9 H GLN 9 0.854 1.348 0.830
48 HA GLN 9 HA GLN 9 3.537 0.140 0.778
49 1HB GLN 9 1HB GLN 9 2.879 2.432 2.180
50 2HB GLN 9 2HB GLN 9 2.744 1.166 3.393
51 1HG GLN 9 1HG GLN 9 4.983 0.594 3.230
52 2HG GLN 9 2HG GLN 9 5.160 1.340 1.643
53 2HE2 GLN 9 2HE2 GLN 9 4.875 1.938 5.076
54 1HE2 GLN 9 1HE2 GLN 9 5.531 3.536 5.049
55 H CYS 10 H CYS 10 3.878 -1.537 2.390
56 HA CYS 10 HA CYS 10 1.371 -2.824 3.250
57 1HB CYS 10 1HB CYS 10 3.737 -3.971 1.820
58 2HB CYS 10 2HB CYS 10 2.829 -4.993 2.930
59 H TYR 11 H TYR 11 1.390 -3.895 5.223
60 HA TYR 11 HA TYR 11 3.592 -3.125 6.993
61 1HB TYR 11 1HB TYR 11 0.721 -3.869 7.437
62 2HB TYR 11 2HB TYR 11 1.874 -3.992 8.761
63 HD1 TYR 11 HD1 TYR 11 2.249 -1.394 6.215
64 HD2 TYR 11 HD2 TYR 11 0.686 -2.309 10.065
65 HE1 TYR 11 HE1 TYR 11 1.978 1.008 6.669
66 HE2 TYR 11 HE2 TYR 11 0.410 0.090 10.529
67 HH TYR 11 HH TYR 11 0.151 2.196 9.250
No H/Q in entry = 67
Start of MODEL 15
1 H CYS 2 H CYS 2 -2.191 -4.571 0.131
2 HA CYS 2 HA CYS 2 -0.459 -3.087 1.980
3 1HB CYS 2 1HB CYS 2 -0.969 -2.946 -0.954
4 2HB CYS 2 2HB CYS 2 -0.531 -1.457 -0.122
5 H THR 3 H THR 3 -0.936 -0.715 2.168
6 HA THR 3 HA THR 3 -3.753 -0.389 2.808
7 HB THR 3 HB THR 3 -2.921 1.800 3.808
8 HG1 THR 3 HG1 THR 3 -0.374 0.628 3.441
9 1HG2 THR 3 1HG2 THR 3 -2.766 -0.788 4.830
10 2HG2 THR 3 2HG2 THR 3 -1.232 -0.021 5.240
11 3HG2 THR 3 3HG2 THR 3 -2.751 0.728 5.731
12 H ALA 4 H ALA 4 -4.987 1.440 2.135
13 HA ALA 4 HA ALA 4 -4.570 2.108 -0.624
14 1HB ALA 4 1HB ALA 4 -6.696 2.666 1.393
15 2HB ALA 4 2HB ALA 4 -6.810 1.851 -0.166
16 3HB ALA 4 3HB ALA 4 -6.648 3.605 -0.098
17 H SER 5 H SER 5 -2.370 3.069 0.354
18 HA SER 5 HA SER 5 -2.807 5.963 0.700
19 1HB SER 5 1HB SER 5 -0.620 6.021 1.865
20 2HB SER 5 2HB SER 5 -1.785 4.985 2.689
21 HG SER 5 HG SER 5 -0.653 3.332 1.152
22 H ILE 6 H ILE 6 -1.032 7.333 -0.158
23 HA ILE 6 HA ILE 6 0.194 6.146 -2.559
24 HB ILE 6 HB ILE 6 -1.101 8.860 -2.311
25 1HG1 ILE 6 1HG1 ILE 6 -1.704 6.481 -4.084
26 2HG1 ILE 6 2HG1 ILE 6 -2.659 7.001 -2.699
27 1HG2 ILE 6 1HG2 ILE 6 1.030 8.931 -3.574
28 2HG2 ILE 6 2HG2 ILE 6 0.376 7.723 -4.679
29 3HG2 ILE 6 3HG2 ILE 6 -0.381 9.311 -4.561
30 1HD1 ILE 6 1HD1 ILE 6 -2.229 9.079 -4.710
31 2HD1 ILE 6 2HD1 ILE 6 -3.148 7.683 -5.276
32 3HD1 ILE 6 3HD1 ILE 6 -3.700 8.592 -3.869
33 HA PRO 7 HA PRO 7 1.852 5.638 -3.287
34 1HB PRO 7 1HB PRO 7 4.178 4.428 -2.672
35 2HB PRO 7 2HB PRO 7 4.107 5.832 -3.742
36 1HG PRO 7 1HG PRO 7 4.823 5.699 -0.839
37 2HG PRO 7 2HG PRO 7 5.599 6.618 -2.141
38 1HD PRO 7 1HD PRO 7 3.838 7.718 -0.371
39 2HD PRO 7 2HD PRO 7 4.060 8.317 -2.027
40 HA PRO 8 HA PRO 8 0.255 2.717 -0.370
41 1HB PRO 8 1HB PRO 8 0.163 0.510 -1.935
42 2HB PRO 8 2HB PRO 8 -0.953 1.866 -2.135
43 1HG PRO 8 1HG PRO 8 1.526 1.211 -3.680
44 2HG PRO 8 2HG PRO 8 -0.049 1.765 -4.276
45 1HD PRO 8 1HD PRO 8 2.077 3.426 -3.973
46 2HD PRO 8 2HD PRO 8 0.398 3.969 -3.780
47 H GLN 9 H GLN 9 1.109 1.461 1.181
48 HA GLN 9 HA GLN 9 3.603 0.012 0.601
49 1HB GLN 9 1HB GLN 9 3.388 2.256 2.250
50 2HB GLN 9 2HB GLN 9 3.442 0.893 3.358
51 1HG GLN 9 1HG GLN 9 5.642 0.911 3.150
52 2HG GLN 9 2HG GLN 9 5.430 0.367 1.487
53 2HE2 GLN 9 2HE2 GLN 9 4.837 3.463 3.111
54 1HE2 GLN 9 1HE2 GLN 9 5.821 4.405 2.049
55 H CYS 10 H CYS 10 4.036 -1.788 2.053
56 HA CYS 10 HA CYS 10 1.557 -2.926 3.171
57 1HB CYS 10 1HB CYS 10 3.695 -4.112 1.476
58 2HB CYS 10 2HB CYS 10 2.991 -5.139 2.720
59 H TYR 11 H TYR 11 2.024 -4.676 4.835
60 HA TYR 11 HA TYR 11 3.996 -3.610 6.721
61 1HB TYR 11 1HB TYR 11 1.341 -4.473 7.018
62 2HB TYR 11 2HB TYR 11 2.323 -5.708 7.799
63 HD1 TYR 11 HD1 TYR 11 4.058 -4.905 9.525
64 HD2 TYR 11 HD2 TYR 11 0.847 -2.485 8.134
65 HE1 TYR 11 HE1 TYR 11 4.286 -3.472 11.510
66 HE2 TYR 11 HE2 TYR 11 1.067 -1.045 10.116
67 HH TYR 11 HH TYR 11 3.097 -1.898 12.793
No H/Q in entry = 67
Start of MODEL 16
1 H CYS 2 H CYS 2 -2.217 -4.302 -0.135
2 HA CYS 2 HA CYS 2 -0.316 -3.124 1.768
3 1HB CYS 2 1HB CYS 2 -0.817 -2.781 -1.144
4 2HB CYS 2 2HB CYS 2 -0.271 -1.368 -0.249
5 H THR 3 H THR 3 -0.552 -0.793 2.223
6 HA THR 3 HA THR 3 -3.145 -0.209 3.187
7 HB THR 3 HB THR 3 -2.214 1.940 3.863
8 HG1 THR 3 HG1 THR 3 -0.909 2.009 1.786
9 1HG2 THR 3 1HG2 THR 3 -0.417 -0.420 4.256
10 2HG2 THR 3 2HG2 THR 3 -0.058 1.152 4.970
11 3HG2 THR 3 3HG2 THR 3 -1.551 0.313 5.389
12 H ALA 4 H ALA 4 -4.496 1.606 2.623
13 HA ALA 4 HA ALA 4 -4.667 1.946 -0.262
14 1HB ALA 4 1HB ALA 4 -6.538 2.523 2.010
15 2HB ALA 4 2HB ALA 4 -6.738 1.392 0.671
16 3HB ALA 4 3HB ALA 4 -6.843 3.129 0.382
17 H SER 5 H SER 5 -2.499 3.243 0.287
18 HA SER 5 HA SER 5 -3.256 6.050 0.048
19 1HB SER 5 1HB SER 5 -1.446 6.725 1.641
20 2HB SER 5 2HB SER 5 -2.784 5.874 2.412
21 HG SER 5 HG SER 5 -1.452 3.946 2.207
22 H ILE 6 H ILE 6 -1.565 7.382 -0.868
23 HA ILE 6 HA ILE 6 0.349 5.795 -2.446
24 HB ILE 6 HB ILE 6 -0.748 8.513 -3.159
25 1HG1 ILE 6 1HG1 ILE 6 -1.580 5.785 -4.173
26 2HG1 ILE 6 2HG1 ILE 6 -2.547 6.837 -3.144
27 1HG2 ILE 6 1HG2 ILE 6 1.518 7.415 -4.049
28 2HG2 ILE 6 2HG2 ILE 6 0.383 6.667 -5.173
29 3HG2 ILE 6 3HG2 ILE 6 0.482 8.424 -5.059
30 1HD1 ILE 6 1HD1 ILE 6 -1.595 7.724 -5.841
31 2HD1 ILE 6 2HD1 ILE 6 -3.077 6.790 -5.633
32 3HD1 ILE 6 3HD1 ILE 6 -2.915 8.369 -4.863
33 HA PRO 7 HA PRO 7 2.245 5.634 -3.225
34 1HB PRO 7 1HB PRO 7 4.485 4.607 -2.087
35 2HB PRO 7 2HB PRO 7 4.522 5.951 -3.234
36 1HG PRO 7 1HG PRO 7 4.654 6.008 -0.244
37 2HG PRO 7 2HG PRO 7 5.604 6.931 -1.424
38 1HD PRO 7 1HD PRO 7 3.487 7.991 -0.111
39 2HD PRO 7 2HD PRO 7 3.923 8.470 -1.763
40 HA PRO 8 HA PRO 8 0.313 2.605 -0.633
41 1HB PRO 8 1HB PRO 8 0.554 0.439 -2.228
42 2HB PRO 8 2HB PRO 8 -0.555 1.765 -2.596
43 1HG PRO 8 1HG PRO 8 2.168 1.210 -3.708
44 2HG PRO 8 2HG PRO 8 0.698 1.731 -4.554
45 1HD PRO 8 1HD PRO 8 2.699 3.441 -3.859
46 2HD PRO 8 2HD PRO 8 0.998 3.935 -3.977
47 H GLN 9 H GLN 9 1.007 1.435 1.048
48 HA GLN 9 HA GLN 9 3.590 0.040 0.826
49 1HB GLN 9 1HB GLN 9 4.101 0.670 3.141
50 2HB GLN 9 2HB GLN 9 3.916 2.088 2.118
51 1HG GLN 9 1HG GLN 9 2.197 2.860 3.307
52 2HG GLN 9 2HG GLN 9 1.437 1.274 3.409
53 2HE2 GLN 9 2HE2 GLN 9 2.529 -0.263 4.939
54 1HE2 GLN 9 1HE2 GLN 9 3.075 0.386 6.445
55 H CYS 10 H CYS 10 3.829 -1.839 2.113
56 HA CYS 10 HA CYS 10 1.260 -3.004 2.959
57 1HB CYS 10 1HB CYS 10 3.634 -4.127 1.560
58 2HB CYS 10 2HB CYS 10 2.792 -5.183 2.689
59 H TYR 11 H TYR 11 1.000 -3.538 5.027
60 HA TYR 11 HA TYR 11 3.308 -3.318 6.815
61 1HB TYR 11 1HB TYR 11 0.664 -2.408 6.998
62 2HB TYR 11 2HB TYR 11 0.776 -3.728 8.158
63 HD1 TYR 11 HD1 TYR 11 2.557 -3.629 9.940
64 HD2 TYR 11 HD2 TYR 11 1.631 -0.304 7.453
65 HE1 TYR 11 HE1 TYR 11 3.655 -2.128 11.548
66 HE2 TYR 11 HE2 TYR 11 2.726 1.207 9.054
67 HH TYR 11 HH TYR 11 4.229 -0.040 12.024
No H/Q in entry = 67
Start of MODEL 17
1 H CYS 2 H CYS 2 -1.740 -4.640 0.774
2 HA CYS 2 HA CYS 2 -0.279 -2.488 2.134
3 1HB CYS 2 1HB CYS 2 -1.068 -2.936 -0.735
4 2HB CYS 2 2HB CYS 2 -0.582 -1.345 -0.158
5 H THR 3 H THR 3 -1.209 -0.373 2.257
6 HA THR 3 HA THR 3 -4.130 -0.464 2.516
7 HB THR 3 HB THR 3 -3.960 1.296 4.095
8 HG1 THR 3 HG1 THR 3 -2.527 2.777 3.811
9 1HG2 THR 3 1HG2 THR 3 -2.768 -1.043 4.636
10 2HG2 THR 3 2HG2 THR 3 -1.416 0.061 4.892
11 3HG2 THR 3 3HG2 THR 3 -2.914 0.276 5.798
12 H ALA 4 H ALA 4 -5.399 1.352 1.821
13 HA ALA 4 HA ALA 4 -4.757 2.228 -0.784
14 1HB ALA 4 1HB ALA 4 -7.061 1.921 0.023
15 2HB ALA 4 2HB ALA 4 -6.863 3.319 1.080
16 3HB ALA 4 3HB ALA 4 -6.804 3.522 -0.671
17 H SER 5 H SER 5 -2.549 3.030 0.207
18 HA SER 5 HA SER 5 -2.828 5.916 0.737
19 1HB SER 5 1HB SER 5 -0.651 5.781 1.918
20 2HB SER 5 2HB SER 5 -1.884 4.773 2.674
21 HG SER 5 HG SER 5 0.445 4.054 1.371
22 H ILE 6 H ILE 6 -1.005 7.245 -0.047
23 HA ILE 6 HA ILE 6 0.248 6.114 -2.459
24 HB ILE 6 HB ILE 6 -0.845 8.919 -2.251
25 1HG1 ILE 6 1HG1 ILE 6 -2.203 7.484 -4.251
26 2HG1 ILE 6 2HG1 ILE 6 -2.171 6.421 -2.846
27 1HG2 ILE 6 1HG2 ILE 6 1.137 8.017 -3.858
28 2HG2 ILE 6 2HG2 ILE 6 -0.276 7.711 -4.867
29 3HG2 ILE 6 3HG2 ILE 6 0.047 9.340 -4.271
30 1HD1 ILE 6 1HD1 ILE 6 -2.981 9.266 -2.505
31 2HD1 ILE 6 2HD1 ILE 6 -4.122 8.107 -3.185
32 3HD1 ILE 6 3HD1 ILE 6 -3.448 7.841 -1.578
33 HA PRO 7 HA PRO 7 1.924 5.668 -3.214
34 1HB PRO 7 1HB PRO 7 4.248 4.446 -2.618
35 2HB PRO 7 2HB PRO 7 4.185 5.899 -3.623
36 1HG PRO 7 1HG PRO 7 4.851 5.633 -0.717
37 2HG PRO 7 2HG PRO 7 5.647 6.614 -1.962
38 1HD PRO 7 1HD PRO 7 3.851 7.628 -0.177
39 2HD PRO 7 2HD PRO 7 4.094 8.299 -1.802
40 HA PRO 8 HA PRO 8 0.303 2.591 -0.480
41 1HB PRO 8 1HB PRO 8 0.335 0.440 -2.128
42 2HB PRO 8 2HB PRO 8 -0.816 1.769 -2.314
43 1HG PRO 8 1HG PRO 8 1.733 1.249 -3.795
44 2HG PRO 8 2HG PRO 8 0.162 1.779 -4.424
45 1HD PRO 8 1HD PRO 8 2.221 3.490 -3.989
46 2HD PRO 8 2HD PRO 8 0.521 3.973 -3.823
47 H GLN 9 H GLN 9 1.194 1.418 1.101
48 HA GLN 9 HA GLN 9 3.727 0.018 0.555
49 1HB GLN 9 1HB GLN 9 3.224 2.141 2.411
50 2HB GLN 9 2HB GLN 9 3.612 0.680 3.310
51 1HG GLN 9 1HG GLN 9 5.702 1.508 3.016
52 2HG GLN 9 2HG GLN 9 5.571 0.536 1.552
53 2HE2 GLN 9 2HE2 GLN 9 6.920 3.180 2.443
54 1HE2 GLN 9 1HE2 GLN 9 6.608 4.235 1.111
55 H CYS 10 H CYS 10 4.165 -1.808 1.978
56 HA CYS 10 HA CYS 10 1.703 -3.026 3.045
57 1HB CYS 10 1HB CYS 10 3.763 -4.121 1.199
58 2HB CYS 10 2HB CYS 10 3.093 -5.217 2.403
59 H TYR 11 H TYR 11 2.194 -4.845 4.604
60 HA TYR 11 HA TYR 11 4.264 -3.922 6.457
61 1HB TYR 11 1HB TYR 11 1.697 -5.410 6.745
62 2HB TYR 11 2HB TYR 11 2.966 -5.729 7.923
63 HD1 TYR 11 HD1 TYR 11 2.787 -2.412 6.451
64 HD2 TYR 11 HD2 TYR 11 1.482 -4.843 9.690
65 HE1 TYR 11 HE1 TYR 11 2.135 -0.394 7.696
66 HE2 TYR 11 HE2 TYR 11 0.825 -2.832 10.943
67 HH TYR 11 HH TYR 11 1.570 0.391 9.768
No H/Q in entry = 67
Start of MODEL 18
1 H CYS 2 H CYS 2 -2.095 -4.440 0.294
2 HA CYS 2 HA CYS 2 -0.256 -2.777 1.861
3 1HB CYS 2 1HB CYS 2 -0.994 -2.930 -1.017
4 2HB CYS 2 2HB CYS 2 -0.565 -1.347 -0.377
5 H THR 3 H THR 3 -0.781 -0.674 2.471
6 HA THR 3 HA THR 3 -3.539 -0.242 3.082
7 HB THR 3 HB THR 3 -2.796 1.768 4.196
8 HG1 THR 3 HG1 THR 3 -0.509 1.413 2.605
9 1HG2 THR 3 1HG2 THR 3 -1.987 -0.654 4.981
10 2HG2 THR 3 2HG2 THR 3 -0.420 0.123 4.758
11 3HG2 THR 3 3HG2 THR 3 -1.606 0.829 5.856
12 H ALA 4 H ALA 4 -4.970 1.211 2.226
13 HA ALA 4 HA ALA 4 -4.638 1.930 -0.498
14 1HB ALA 4 1HB ALA 4 -6.789 1.530 1.061
15 2HB ALA 4 2HB ALA 4 -6.746 3.293 1.054
16 3HB ALA 4 3HB ALA 4 -6.846 2.407 -0.468
17 H SER 5 H SER 5 -2.504 3.086 0.176
18 HA SER 5 HA SER 5 -3.114 5.951 0.271
19 1HB SER 5 1HB SER 5 -1.063 6.252 1.737
20 2HB SER 5 2HB SER 5 -2.461 5.521 2.525
21 HG SER 5 HG SER 5 -1.360 3.751 2.806
22 H ILE 6 H ILE 6 -1.391 7.303 -0.582
23 HA ILE 6 HA ILE 6 0.365 5.845 -2.447
24 HB ILE 6 HB ILE 6 -0.836 8.563 -2.959
25 1HG1 ILE 6 1HG1 ILE 6 -1.957 6.831 -4.786
26 2HG1 ILE 6 2HG1 ILE 6 -1.952 5.876 -3.307
27 1HG2 ILE 6 1HG2 ILE 6 1.359 7.438 -4.075
28 2HG2 ILE 6 2HG2 ILE 6 0.099 6.875 -5.172
29 3HG2 ILE 6 3HG2 ILE 6 0.314 8.601 -4.890
30 1HD1 ILE 6 1HD1 ILE 6 -2.942 8.651 -3.103
31 2HD1 ILE 6 2HD1 ILE 6 -3.947 7.494 -3.976
32 3HD1 ILE 6 3HD1 ILE 6 -3.496 7.181 -2.300
33 HA PRO 7 HA PRO 7 2.244 5.670 -3.231
34 1HB PRO 7 1HB PRO 7 4.498 4.643 -2.111
35 2HB PRO 7 2HB PRO 7 4.521 5.972 -3.276
36 1HG PRO 7 1HG PRO 7 4.697 6.068 -0.289
37 2HG PRO 7 2HG PRO 7 5.633 6.971 -1.495
38 1HD PRO 7 1HD PRO 7 3.547 8.064 -0.168
39 2HD PRO 7 2HD PRO 7 3.945 8.505 -1.842
40 HA PRO 8 HA PRO 8 0.349 2.653 -0.602
41 1HB PRO 8 1HB PRO 8 0.560 0.481 -2.191
42 2HB PRO 8 2HB PRO 8 -0.547 1.811 -2.551
43 1HG PRO 8 1HG PRO 8 2.159 1.236 -3.693
44 2HG PRO 8 2HG PRO 8 0.683 1.763 -4.524
45 1HD PRO 8 1HD PRO 8 2.704 3.462 -3.856
46 2HD PRO 8 2HD PRO 8 1.006 3.967 -3.964
47 H GLN 9 H GLN 9 1.047 1.462 1.065
48 HA GLN 9 HA GLN 9 3.653 0.109 0.831
49 1HB GLN 9 1HB GLN 9 3.947 2.095 2.194
50 2HB GLN 9 2HB GLN 9 2.579 1.647 3.201
51 1HG GLN 9 1HG GLN 9 4.198 0.869 4.550
52 2HG GLN 9 2HG GLN 9 4.078 -0.546 3.506
53 2HE2 GLN 9 2HE2 GLN 9 5.298 0.891 1.252
54 1HE2 GLN 9 1HE2 GLN 9 6.988 0.963 1.604
55 H CYS 10 H CYS 10 3.889 -1.842 1.957
56 HA CYS 10 HA CYS 10 1.343 -3.062 2.791
57 1HB CYS 10 1HB CYS 10 3.693 -4.090 1.284
58 2HB CYS 10 2HB CYS 10 2.868 -5.213 2.359
59 H TYR 11 H TYR 11 1.695 -4.958 4.341
60 HA TYR 11 HA TYR 11 3.266 -3.953 6.584
61 1HB TYR 11 1HB TYR 11 0.752 -5.197 6.354
62 2HB TYR 11 2HB TYR 11 1.790 -6.363 7.167
63 HD1 TYR 11 HD1 TYR 11 0.468 -2.910 7.347
64 HD2 TYR 11 HD2 TYR 11 2.427 -6.061 9.427
65 HE1 TYR 11 HE1 TYR 11 0.160 -1.696 9.463
66 HE2 TYR 11 HE2 TYR 11 2.125 -4.857 11.549
67 HH TYR 11 HH TYR 11 0.215 -2.906 12.302
No H/Q in entry = 67
Start of MODEL 19
1 H CYS 2 H CYS 2 -1.739 -4.072 -0.431
2 HA CYS 2 HA CYS 2 -0.376 -2.825 1.844
3 1HB CYS 2 1HB CYS 2 -0.730 -1.930 -1.022
4 2HB CYS 2 2HB CYS 2 0.048 -0.957 0.221
5 H THR 3 H THR 3 -1.014 -0.625 2.462
6 HA THR 3 HA THR 3 -3.865 -0.468 2.809
7 HB THR 3 HB THR 3 -3.449 1.119 4.436
8 HG1 THR 3 HG1 THR 3 -1.279 1.888 2.817
9 1HG2 THR 3 1HG2 THR 3 -1.544 -0.957 4.342
10 2HG2 THR 3 2HG2 THR 3 -0.712 0.506 4.871
11 3HG2 THR 3 3HG2 THR 3 -2.132 -0.067 5.747
12 H ALA 4 H ALA 4 -5.199 1.292 2.192
13 HA ALA 4 HA ALA 4 -4.818 2.174 -0.461
14 1HB ALA 4 1HB ALA 4 -6.827 2.632 1.663
15 2HB ALA 4 2HB ALA 4 -7.039 2.103 -0.006
16 3HB ALA 4 3HB ALA 4 -6.763 3.808 0.351
17 H SER 5 H SER 5 -2.536 3.003 0.280
18 HA SER 5 HA SER 5 -2.794 5.908 0.671
19 1HB SER 5 1HB SER 5 -0.497 5.719 1.830
20 2HB SER 5 2HB SER 5 -1.918 5.213 2.743
21 HG SER 5 HG SER 5 -0.334 3.642 2.939
22 H ILE 6 H ILE 6 -1.208 7.197 -0.366
23 HA ILE 6 HA ILE 6 0.291 5.798 -2.483
24 HB ILE 6 HB ILE 6 -0.844 8.569 -2.792
25 1HG1 ILE 6 1HG1 ILE 6 -2.230 6.597 -4.364
26 2HG1 ILE 6 2HG1 ILE 6 -2.323 6.165 -2.659
27 1HG2 ILE 6 1HG2 ILE 6 1.028 7.926 -4.249
28 2HG2 ILE 6 2HG2 ILE 6 0.096 6.542 -4.817
29 3HG2 ILE 6 3HG2 ILE 6 -0.463 8.180 -5.155
30 1HD1 ILE 6 1HD1 ILE 6 -2.852 8.893 -2.737
31 2HD1 ILE 6 2HD1 ILE 6 -3.718 8.213 -4.114
32 3HD1 ILE 6 3HD1 ILE 6 -4.010 7.586 -2.492
33 HA PRO 7 HA PRO 7 2.079 5.556 -3.375
34 1HB PRO 7 1HB PRO 7 4.412 4.486 -2.494
35 2HB PRO 7 2HB PRO 7 4.346 5.828 -3.643
36 1HG PRO 7 1HG PRO 7 4.814 5.887 -0.687
37 2HG PRO 7 2HG PRO 7 5.646 6.787 -1.970
38 1HD PRO 7 1HD PRO 7 3.713 7.898 -0.435
39 2HD PRO 7 2HD PRO 7 3.966 8.358 -2.131
40 HA PRO 8 HA PRO 8 0.255 2.504 -0.758
41 1HB PRO 8 1HB PRO 8 1.483 0.496 -2.557
42 2HB PRO 8 2HB PRO 8 -0.219 0.765 -2.165
43 1HG PRO 8 1HG PRO 8 0.775 1.456 -4.548
44 2HG PRO 8 2HG PRO 8 -0.455 2.445 -3.739
45 1HD PRO 8 1HD PRO 8 2.494 2.895 -3.965
46 2HD PRO 8 2HD PRO 8 1.164 4.068 -4.056
47 H GLN 9 H GLN 9 0.814 1.205 0.940
48 HA GLN 9 HA GLN 9 3.617 0.351 1.150
49 1HB GLN 9 1HB GLN 9 3.304 0.923 3.681
50 2HB GLN 9 2HB GLN 9 3.730 2.194 2.542
51 1HG GLN 9 1HG GLN 9 0.925 2.081 2.586
52 2HG GLN 9 2HG GLN 9 1.458 1.984 4.264
53 2HE2 GLN 9 2HE2 GLN 9 3.235 3.597 4.808
54 1HE2 GLN 9 1HE2 GLN 9 3.009 5.206 4.218
55 H CYS 10 H CYS 10 3.976 -1.566 2.220
56 HA CYS 10 HA CYS 10 1.582 -3.015 3.140
57 1HB CYS 10 1HB CYS 10 3.701 -3.826 1.217
58 2HB CYS 10 2HB CYS 10 3.099 -5.060 2.319
59 H TYR 11 H TYR 11 1.831 -2.938 5.305
60 HA TYR 11 HA TYR 11 4.169 -4.288 6.418
61 1HB TYR 11 1HB TYR 11 4.794 -2.589 7.880
62 2HB TYR 11 2HB TYR 11 4.408 -1.696 6.413
63 HD1 TYR 11 HD1 TYR 11 2.935 -2.784 9.655
64 HD2 TYR 11 HD2 TYR 11 2.860 0.049 6.483
65 HE1 TYR 11 HE1 TYR 11 1.328 -1.418 10.921
66 HE2 TYR 11 HE2 TYR 11 1.255 1.424 7.740
67 HH TYR 11 HH TYR 11 0.668 1.077 10.967
No H/Q in entry = 67
Start of MODEL 20
1 H CYS 2 H CYS 2 -2.538 -4.163 0.373
2 HA CYS 2 HA CYS 2 -0.372 -2.988 1.965
3 1HB CYS 2 1HB CYS 2 -1.059 -1.950 -0.782
4 2HB CYS 2 2HB CYS 2 0.323 -1.531 0.224
5 H THR 3 H THR 3 -0.697 -0.629 2.325
6 HA THR 3 HA THR 3 -3.425 -0.155 3.106
7 HB THR 3 HB THR 3 -2.245 2.179 3.678
8 HG1 THR 3 HG1 THR 3 -0.150 2.105 3.624
9 1HG2 THR 3 1HG2 THR 3 -2.896 -0.060 5.141
10 2HG2 THR 3 2HG2 THR 3 -1.193 0.206 5.515
11 3HG2 THR 3 3HG2 THR 3 -2.366 1.495 5.782
12 H ALA 4 H ALA 4 -4.891 1.187 2.197
13 HA ALA 4 HA ALA 4 -4.601 1.923 -0.515
14 1HB ALA 4 1HB ALA 4 -6.749 1.410 0.761
15 2HB ALA 4 2HB ALA 4 -6.667 3.075 1.337
16 3HB ALA 4 3HB ALA 4 -6.797 2.745 -0.391
17 H SER 5 H SER 5 -2.467 3.091 0.045
18 HA SER 5 HA SER 5 -3.075 5.954 0.172
19 1HB SER 5 1HB SER 5 -0.987 6.273 1.567
20 2HB SER 5 2HB SER 5 -2.338 5.506 2.403
21 HG SER 5 HG SER 5 -1.219 3.723 2.578
22 H ILE 6 H ILE 6 -1.280 7.301 -0.652
23 HA ILE 6 HA ILE 6 0.366 5.848 -2.617
24 HB ILE 6 HB ILE 6 -1.106 8.452 -3.000
25 1HG1 ILE 6 1HG1 ILE 6 -1.324 5.691 -4.173
26 2HG1 ILE 6 2HG1 ILE 6 -2.590 6.691 -3.466
27 1HG2 ILE 6 1HG2 ILE 6 0.959 7.146 -4.765
28 2HG2 ILE 6 2HG2 ILE 6 -0.069 8.497 -5.245
29 3HG2 ILE 6 3HG2 ILE 6 1.099 8.698 -3.940
30 1HD1 ILE 6 1HD1 ILE 6 -1.194 7.399 -6.027
31 2HD1 ILE 6 2HD1 ILE 6 -2.655 6.415 -5.962
32 3HD1 ILE 6 3HD1 ILE 6 -2.685 8.076 -5.372
33 HA PRO 7 HA PRO 7 2.211 5.488 -3.219
34 1HB PRO 7 1HB PRO 7 4.437 4.484 -2.041
35 2HB PRO 7 2HB PRO 7 4.497 5.736 -3.287
36 1HG PRO 7 1HG PRO 7 4.677 6.015 -0.311
37 2HG PRO 7 2HG PRO 7 5.641 6.811 -1.569
38 1HD PRO 7 1HD PRO 7 3.578 8.039 -0.317
39 2HD PRO 7 2HD PRO 7 4.010 8.380 -2.004
40 HA PRO 8 HA PRO 8 0.213 2.732 -0.391
41 1HB PRO 8 1HB PRO 8 0.511 0.405 -1.747
42 2HB PRO 8 2HB PRO 8 -0.614 1.669 -2.256
43 1HG PRO 8 1HG PRO 8 2.130 1.051 -3.279
44 2HG PRO 8 2HG PRO 8 0.664 1.461 -4.188
45 1HD PRO 8 1HD PRO 8 2.620 3.266 -3.666
46 2HD PRO 8 2HD PRO 8 0.909 3.719 -3.809
47 H GLN 9 H GLN 9 0.754 1.500 1.336
48 HA GLN 9 HA GLN 9 3.526 0.507 1.466
49 1HB GLN 9 1HB GLN 9 1.846 1.991 3.393
50 2HB GLN 9 2HB GLN 9 2.804 0.681 4.072
51 1HG GLN 9 1HG GLN 9 4.425 2.195 4.230
52 2HG GLN 9 2HG GLN 9 4.629 1.952 2.496
53 2HE2 GLN 9 2HE2 GLN 9 4.537 3.690 1.269
54 1HE2 GLN 9 1HE2 GLN 9 3.818 5.202 1.698
55 H CYS 10 H CYS 10 3.861 -1.588 1.918
56 HA CYS 10 HA CYS 10 1.524 -3.209 2.690
57 1HB CYS 10 1HB CYS 10 3.804 -4.428 1.198
58 2HB CYS 10 2HB CYS 10 2.101 -4.871 1.197
59 H TYR 11 H TYR 11 1.767 -3.678 4.783
60 HA TYR 11 HA TYR 11 4.234 -5.011 5.613
61 1HB TYR 11 1HB TYR 11 3.164 -2.463 6.722
62 2HB TYR 11 2HB TYR 11 3.828 -3.629 7.860
63 HD1 TYR 11 HD1 TYR 11 6.214 -4.442 7.480
64 HD2 TYR 11 HD2 TYR 11 4.578 -1.062 5.481
65 HE1 TYR 11 HE1 TYR 11 8.486 -3.651 6.970
66 HE2 TYR 11 HE2 TYR 11 6.844 -0.261 4.965
67 HH TYR 11 HH TYR 11 9.708 -2.153 5.856
No H/Q in entry = 67
Start of MODEL 21
1 H CYS 2 H CYS 2 -1.865 -4.556 0.486
2 HA CYS 2 HA CYS 2 -0.167 -2.634 1.916
3 1HB CYS 2 1HB CYS 2 -0.966 -2.985 -0.928
4 2HB CYS 2 2HB CYS 2 -0.710 -1.338 -0.361
5 H THR 3 H THR 3 -0.913 -0.436 2.160
6 HA THR 3 HA THR 3 -3.747 -0.348 2.824
7 HB THR 3 HB THR 3 -3.112 1.875 3.853
8 HG1 THR 3 HG1 THR 3 -1.239 2.269 2.642
9 1HG2 THR 3 1HG2 THR 3 -3.140 -0.297 5.128
10 2HG2 THR 3 2HG2 THR 3 -1.393 -0.352 4.892
11 3HG2 THR 3 3HG2 THR 3 -2.119 0.983 5.788
12 H ALA 4 H ALA 4 -5.063 1.507 2.236
13 HA ALA 4 HA ALA 4 -4.773 2.147 -0.551
14 1HB ALA 4 1HB ALA 4 -6.892 2.078 1.341
15 2HB ALA 4 2HB ALA 4 -6.983 2.256 -0.410
16 3HB ALA 4 3HB ALA 4 -6.849 3.685 0.615
17 H SER 5 H SER 5 -2.601 3.226 0.129
18 HA SER 5 HA SER 5 -3.117 6.104 0.225
19 1HB SER 5 1HB SER 5 -1.063 6.307 1.750
20 2HB SER 5 2HB SER 5 -2.556 5.737 2.495
21 HG SER 5 HG SER 5 -0.670 4.486 3.040
22 H ILE 6 H ILE 6 -1.427 7.394 -0.678
23 HA ILE 6 HA ILE 6 0.337 5.869 -2.477
24 HB ILE 6 HB ILE 6 -0.626 8.692 -2.915
25 1HG1 ILE 6 1HG1 ILE 6 -2.404 6.783 -2.870
26 2HG1 ILE 6 2HG1 ILE 6 -2.403 7.929 -4.207
27 1HG2 ILE 6 1HG2 ILE 6 0.716 6.678 -4.711
28 2HG2 ILE 6 2HG2 ILE 6 0.077 8.232 -5.246
29 3HG2 ILE 6 3HG2 ILE 6 1.409 8.177 -4.091
30 1HD1 ILE 6 1HD1 ILE 6 -1.100 6.279 -5.530
31 2HD1 ILE 6 2HD1 ILE 6 -1.309 5.130 -4.210
32 3HD1 ILE 6 3HD1 ILE 6 -2.717 5.736 -5.082
33 HA PRO 7 HA PRO 7 2.127 5.544 -3.183
34 1HB PRO 7 1HB PRO 7 4.410 4.419 -2.295
35 2HB PRO 7 2HB PRO 7 4.411 5.837 -3.352
36 1HG PRO 7 1HG PRO 7 4.765 5.688 -0.383
37 2HG PRO 7 2HG PRO 7 5.660 6.656 -1.568
38 1HD PRO 7 1HD PRO 7 3.651 7.664 -0.026
39 2HD PRO 7 2HD PRO 7 4.043 8.286 -1.640
40 HA PRO 8 HA PRO 8 0.254 2.507 -0.569
41 1HB PRO 8 1HB PRO 8 0.629 0.295 -2.116
42 2HB PRO 8 2HB PRO 8 -0.583 1.530 -2.470
43 1HG PRO 8 1HG PRO 8 2.143 1.157 -3.648
44 2HG PRO 8 2HG PRO 8 0.619 1.566 -4.459
45 1HD PRO 8 1HD PRO 8 2.488 3.427 -3.879
46 2HD PRO 8 2HD PRO 8 0.751 3.791 -3.861
47 H GLN 9 H GLN 9 1.008 1.521 1.192
48 HA GLN 9 HA GLN 9 3.702 0.333 1.088
49 1HB GLN 9 1HB GLN 9 3.773 0.762 3.551
50 2HB GLN 9 2HB GLN 9 3.703 2.219 2.568
51 1HG GLN 9 1HG GLN 9 1.591 2.748 3.252
52 2HG GLN 9 2HG GLN 9 1.156 1.071 3.577
53 2HE2 GLN 9 2HE2 GLN 9 1.907 0.097 5.509
54 1HE2 GLN 9 1HE2 GLN 9 2.337 1.059 6.878
55 H CYS 10 H CYS 10 4.045 -1.684 1.952
56 HA CYS 10 HA CYS 10 1.623 -3.172 2.731
57 1HB CYS 10 1HB CYS 10 3.908 -3.868 0.958
58 2HB CYS 10 2HB CYS 10 3.236 -5.157 1.950
59 H TYR 11 H TYR 11 1.785 -4.703 4.397
60 HA TYR 11 HA TYR 11 4.282 -4.790 5.914
61 1HB TYR 11 1HB TYR 11 3.268 -3.057 7.112
62 2HB TYR 11 2HB TYR 11 1.656 -3.740 6.922
63 HD1 TYR 11 HD1 TYR 11 1.022 -5.764 8.260
64 HD2 TYR 11 HD2 TYR 11 4.620 -3.611 8.975
65 HE1 TYR 11 HE1 TYR 11 1.200 -6.809 10.479
66 HE2 TYR 11 HE2 TYR 11 4.809 -4.650 11.196
67 HH TYR 11 HH TYR 11 4.035 -6.365 12.498
No H/Q in entry = 67
Start of MODEL 22
1 H CYS 2 H CYS 2 -1.765 -3.949 -0.580
2 HA CYS 2 HA CYS 2 -0.461 -3.061 1.891
3 1HB CYS 2 1HB CYS 2 -0.443 -1.882 -0.894
4 2HB CYS 2 2HB CYS 2 0.383 -1.178 0.492
5 H THR 3 H THR 3 -0.849 -0.798 2.571
6 HA THR 3 HA THR 3 -3.595 -0.339 3.008
7 HB THR 3 HB THR 3 -2.920 1.675 4.141
8 HG1 THR 3 HG1 THR 3 -0.901 1.621 2.329
9 1HG2 THR 3 1HG2 THR 3 -1.993 -0.734 4.895
10 2HG2 THR 3 2HG2 THR 3 -0.480 0.157 4.737
11 3HG2 THR 3 3HG2 THR 3 -1.746 0.753 5.811
12 H ALA 4 H ALA 4 -4.907 1.433 2.323
13 HA ALA 4 HA ALA 4 -4.600 2.016 -0.477
14 1HB ALA 4 1HB ALA 4 -6.759 1.708 1.160
15 2HB ALA 4 2HB ALA 4 -6.701 3.460 0.964
16 3HB ALA 4 3HB ALA 4 -6.805 2.418 -0.455
17 H SER 5 H SER 5 -2.434 3.119 0.430
18 HA SER 5 HA SER 5 -3.017 6.004 0.546
19 1HB SER 5 1HB SER 5 -0.650 5.997 1.753
20 2HB SER 5 2HB SER 5 -2.140 5.741 2.658
21 HG SER 5 HG SER 5 -1.551 3.759 3.051
22 H ILE 6 H ILE 6 -1.209 7.364 -0.261
23 HA ILE 6 HA ILE 6 0.205 6.012 -2.466
24 HB ILE 6 HB ILE 6 -0.648 8.903 -2.466
25 1HG1 ILE 6 1HG1 ILE 6 -2.623 7.408 -2.361
26 2HG1 ILE 6 2HG1 ILE 6 -2.509 8.263 -3.896
27 1HG2 ILE 6 1HG2 ILE 6 0.354 7.045 -4.616
28 2HG2 ILE 6 2HG2 ILE 6 -0.278 8.664 -4.911
29 3HG2 ILE 6 3HG2 ILE 6 1.183 8.450 -3.948
30 1HD1 ILE 6 1HD1 ILE 6 -1.356 6.145 -4.759
31 2HD1 ILE 6 2HD1 ILE 6 -2.007 5.374 -3.312
32 3HD1 ILE 6 3HD1 ILE 6 -3.099 6.100 -4.491
33 HA PRO 7 HA PRO 7 1.855 5.583 -3.282
34 1HB PRO 7 1HB PRO 7 4.184 4.332 -2.811
35 2HB PRO 7 2HB PRO 7 4.109 5.840 -3.732
36 1HG PRO 7 1HG PRO 7 4.850 5.407 -0.865
37 2HG PRO 7 2HG PRO 7 5.613 6.459 -2.071
38 1HD PRO 7 1HD PRO 7 3.848 7.345 -0.173
39 2HD PRO 7 2HD PRO 7 4.094 8.141 -1.739
40 HA PRO 8 HA PRO 8 0.160 2.391 -0.746
41 1HB PRO 8 1HB PRO 8 1.158 0.478 -2.775
42 2HB PRO 8 2HB PRO 8 -0.493 0.772 -2.223
43 1HG PRO 8 1HG PRO 8 0.325 1.598 -4.629
44 2HG PRO 8 2HG PRO 8 -0.796 2.566 -3.653
45 1HD PRO 8 1HD PRO 8 2.140 2.937 -4.098
46 2HD PRO 8 2HD PRO 8 0.852 4.155 -3.997
47 H GLN 9 H GLN 9 0.933 1.336 0.973
48 HA GLN 9 HA GLN 9 3.585 0.081 0.792
49 1HB GLN 9 1HB GLN 9 3.442 2.391 2.010
50 2HB GLN 9 2HB GLN 9 2.726 1.453 3.314
51 1HG GLN 9 1HG GLN 9 4.673 0.256 3.695
52 2HG GLN 9 2HG GLN 9 5.329 0.627 2.102
53 2HE2 GLN 9 2HE2 GLN 9 4.072 2.516 4.836
54 1HE2 GLN 9 1HE2 GLN 9 5.422 3.591 4.933
55 H CYS 10 H CYS 10 3.917 -1.724 2.131
56 HA CYS 10 HA CYS 10 1.441 -2.874 3.240
57 1HB CYS 10 1HB CYS 10 3.658 -4.056 1.639
58 2HB CYS 10 2HB CYS 10 2.904 -5.070 2.865
59 H TYR 11 H TYR 11 1.545 -4.001 5.196
60 HA TYR 11 HA TYR 11 3.825 -3.252 6.872
61 1HB TYR 11 1HB TYR 11 0.954 -3.666 7.325
62 2HB TYR 11 2HB TYR 11 1.980 -4.374 8.568
63 HD1 TYR 11 HD1 TYR 11 1.194 -1.204 6.812
64 HD2 TYR 11 HD2 TYR 11 3.004 -3.022 10.207
65 HE1 TYR 11 HE1 TYR 11 1.443 1.008 7.856
66 HE2 TYR 11 HE2 TYR 11 3.257 -0.815 11.261
67 HH TYR 11 HH TYR 11 1.915 1.531 10.965
No H/Q in entry = 67
Start of MODEL 23
1 H CYS 2 H CYS 2 -2.068 -4.616 0.680
2 HA CYS 2 HA CYS 2 -0.296 -2.813 2.185
3 1HB CYS 2 1HB CYS 2 -1.012 -3.036 -0.708
4 2HB CYS 2 2HB CYS 2 -0.583 -1.455 -0.066
5 H THR 3 H THR 3 -0.947 -0.508 2.220
6 HA THR 3 HA THR 3 -3.813 -0.311 2.782
7 HB THR 3 HB THR 3 -3.324 1.477 4.218
8 HG1 THR 3 HG1 THR 3 -0.673 1.712 3.328
9 1HG2 THR 3 1HG2 THR 3 -1.771 -0.852 4.498
10 2HG2 THR 3 2HG2 THR 3 -0.739 0.516 4.913
11 3HG2 THR 3 3HG2 THR 3 -2.275 0.285 5.748
12 H ALA 4 H ALA 4 -5.138 1.197 1.836
13 HA ALA 4 HA ALA 4 -4.501 2.025 -0.791
14 1HB ALA 4 1HB ALA 4 -6.793 1.506 0.055
15 2HB ALA 4 2HB ALA 4 -6.764 3.045 0.915
16 3HB ALA 4 3HB ALA 4 -6.673 3.018 -0.846
17 H SER 5 H SER 5 -2.423 3.082 0.268
18 HA SER 5 HA SER 5 -3.009 5.954 0.566
19 1HB SER 5 1HB SER 5 -0.964 6.112 1.976
20 2HB SER 5 2HB SER 5 -2.209 5.088 2.693
21 HG SER 5 HG SER 5 -1.050 3.277 1.844
22 H ILE 6 H ILE 6 -1.192 7.372 -0.106
23 HA ILE 6 HA ILE 6 0.262 6.199 -2.385
24 HB ILE 6 HB ILE 6 -0.470 9.105 -2.241
25 1HG1 ILE 6 1HG1 ILE 6 -2.156 7.014 -3.618
26 2HG1 ILE 6 2HG1 ILE 6 -2.516 7.603 -1.997
27 1HG2 ILE 6 1HG2 ILE 6 0.940 7.433 -4.055
28 2HG2 ILE 6 2HG2 ILE 6 -0.522 8.011 -4.853
29 3HG2 ILE 6 3HG2 ILE 6 0.623 9.165 -4.169
30 1HD1 ILE 6 1HD1 ILE 6 -2.352 9.316 -4.466
31 2HD1 ILE 6 2HD1 ILE 6 -3.839 8.722 -3.727
32 3HD1 ILE 6 3HD1 ILE 6 -2.805 9.846 -2.846
33 HA PRO 7 HA PRO 7 1.935 5.774 -3.140
34 1HB PRO 7 1HB PRO 7 4.223 4.460 -2.621
35 2HB PRO 7 2HB PRO 7 4.209 6.000 -3.489
36 1HG PRO 7 1HG PRO 7 4.826 5.454 -0.613
37 2HG PRO 7 2HG PRO 7 5.653 6.534 -1.748
38 1HD PRO 7 1HD PRO 7 3.833 7.389 0.107
39 2HD PRO 7 2HD PRO 7 4.144 8.228 -1.425
40 HA PRO 8 HA PRO 8 0.220 2.508 -0.703
41 1HB PRO 8 1HB PRO 8 0.318 0.471 -2.491
42 2HB PRO 8 2HB PRO 8 -0.825 1.811 -2.631
43 1HG PRO 8 1HG PRO 8 1.779 1.388 -4.045
44 2HG PRO 8 2HG PRO 8 0.233 1.966 -4.695
45 1HD PRO 8 1HD PRO 8 2.276 3.635 -4.064
46 2HD PRO 8 2HD PRO 8 0.571 4.112 -3.930
47 H GLN 9 H GLN 9 1.204 1.490 0.918
48 HA GLN 9 HA GLN 9 3.587 -0.134 0.326
49 1HB GLN 9 1HB GLN 9 3.470 2.183 1.944
50 2HB GLN 9 2HB GLN 9 3.645 0.814 3.034
51 1HG GLN 9 1HG GLN 9 5.761 1.957 2.169
52 2HG GLN 9 2HG GLN 9 5.692 0.196 2.138
53 2HE2 GLN 9 2HE2 GLN 9 5.645 3.105 0.239
54 1HE2 GLN 9 1HE2 GLN 9 5.915 2.353 -1.293
55 H CYS 10 H CYS 10 3.992 -1.855 1.900
56 HA CYS 10 HA CYS 10 1.474 -2.864 3.052
57 1HB CYS 10 1HB CYS 10 3.727 -4.228 1.632
58 2HB CYS 10 2HB CYS 10 2.814 -5.124 2.841
59 H TYR 11 H TYR 11 1.545 -3.933 5.061
60 HA TYR 11 HA TYR 11 3.776 -3.072 6.748
61 1HB TYR 11 1HB TYR 11 1.055 -2.942 7.134
62 2HB TYR 11 2HB TYR 11 1.500 -4.362 8.073
63 HD1 TYR 11 HD1 TYR 11 3.430 -1.229 7.501
64 HD2 TYR 11 HD2 TYR 11 1.340 -3.665 10.294
65 HE1 TYR 11 HE1 TYR 11 4.191 0.226 9.330
66 HE2 TYR 11 HE2 TYR 11 2.094 -2.216 12.131
67 HH TYR 11 HH TYR 11 3.238 -0.402 12.696
No H/Q in entry = 67
Start of MODEL 24
1 H CYS 2 H CYS 2 -1.717 -4.144 -0.565
2 HA CYS 2 HA CYS 2 -0.293 -3.030 1.749
3 1HB CYS 2 1HB CYS 2 -0.425 -2.212 -1.148
4 2HB CYS 2 2HB CYS 2 0.212 -1.138 0.094
5 H THR 3 H THR 3 -0.842 -0.908 2.510
6 HA THR 3 HA THR 3 -3.624 -0.532 2.848
7 HB THR 3 HB THR 3 -2.856 1.704 3.854
8 HG1 THR 3 HG1 THR 3 -0.600 1.784 4.252
9 1HG2 THR 3 1HG2 THR 3 -2.254 -0.997 4.828
10 2HG2 THR 3 2HG2 THR 3 -1.363 0.310 5.607
11 3HG2 THR 3 3HG2 THR 3 -3.127 0.328 5.599
12 H ALA 4 H ALA 4 -4.810 1.471 2.336
13 HA ALA 4 HA ALA 4 -4.507 2.109 -0.459
14 1HB ALA 4 1HB ALA 4 -6.725 1.726 0.503
15 2HB ALA 4 2HB ALA 4 -6.513 3.129 1.551
16 3HB ALA 4 3HB ALA 4 -6.595 3.340 -0.198
17 H SER 5 H SER 5 -2.263 3.021 0.491
18 HA SER 5 HA SER 5 -2.637 5.917 0.892
19 1HB SER 5 1HB SER 5 -0.167 5.723 1.717
20 2HB SER 5 2HB SER 5 -1.473 5.216 2.789
21 HG SER 5 HG SER 5 -0.172 3.510 2.850
22 H ILE 6 H ILE 6 -0.883 7.279 -0.034
23 HA ILE 6 HA ILE 6 0.121 6.150 -2.564
24 HB ILE 6 HB ILE 6 -1.059 8.879 -2.071
25 1HG1 ILE 6 1HG1 ILE 6 -2.491 6.797 -2.625
26 2HG1 ILE 6 2HG1 ILE 6 -2.750 8.261 -3.570
27 1HG2 ILE 6 1HG2 ILE 6 0.494 7.874 -4.449
28 2HG2 ILE 6 2HG2 ILE 6 -0.489 9.338 -4.452
29 3HG2 ILE 6 3HG2 ILE 6 0.913 9.219 -3.388
30 1HD1 ILE 6 1HD1 ILE 6 -1.221 7.294 -5.301
31 2HD1 ILE 6 2HD1 ILE 6 -1.254 5.787 -4.384
32 3HD1 ILE 6 3HD1 ILE 6 -2.743 6.434 -5.072
33 HA PRO 7 HA PRO 7 1.687 5.563 -3.403
34 1HB PRO 7 1HB PRO 7 3.982 4.215 -3.013
35 2HB PRO 7 2HB PRO 7 3.908 5.665 -4.023
36 1HG PRO 7 1HG PRO 7 4.832 5.375 -1.191
37 2HG PRO 7 2HG PRO 7 5.557 6.306 -2.513
38 1HD PRO 7 1HD PRO 7 3.993 7.418 -0.572
39 2HD PRO 7 2HD PRO 7 4.130 8.076 -2.213
40 HA PRO 8 HA PRO 8 -0.017 2.560 -0.654
41 1HB PRO 8 1HB PRO 8 0.941 0.525 -2.596
42 2HB PRO 8 2HB PRO 8 -0.692 0.824 -1.991
43 1HG PRO 8 1HG PRO 8 0.002 1.537 -4.465
44 2HG PRO 8 2HG PRO 8 -1.074 2.551 -3.488
45 1HD PRO 8 1HD PRO 8 1.826 2.913 -4.112
46 2HD PRO 8 2HD PRO 8 0.539 4.130 -3.975
47 H GLN 9 H GLN 9 0.656 1.287 1.011
48 HA GLN 9 HA GLN 9 3.413 0.266 0.939
49 1HB GLN 9 1HB GLN 9 3.181 0.856 3.555
50 2HB GLN 9 2HB GLN 9 3.880 1.957 2.376
51 1HG GLN 9 1HG GLN 9 1.538 2.907 2.111
52 2HG GLN 9 2HG GLN 9 1.131 2.004 3.570
53 2HE2 GLN 9 2HE2 GLN 9 3.989 3.865 2.594
54 1HE2 GLN 9 1HE2 GLN 9 3.981 4.921 3.961
55 H CYS 10 H CYS 10 3.831 -1.459 2.498
56 HA CYS 10 HA CYS 10 1.396 -2.932 3.255
57 1HB CYS 10 1HB CYS 10 3.767 -3.837 1.694
58 2HB CYS 10 2HB CYS 10 3.039 -4.981 2.816
59 H TYR 11 H TYR 11 1.947 -4.740 4.850
60 HA TYR 11 HA TYR 11 4.108 -3.953 6.671
61 1HB TYR 11 1HB TYR 11 1.203 -3.917 7.211
62 2HB TYR 11 2HB TYR 11 2.192 -4.673 8.456
63 HD1 TYR 11 HD1 TYR 11 1.480 -1.536 6.675
64 HD2 TYR 11 HD2 TYR 11 3.690 -3.368 9.816
65 HE1 TYR 11 HE1 TYR 11 2.043 0.685 7.566
66 HE2 TYR 11 HE2 TYR 11 4.258 -1.151 10.717
67 HH TYR 11 HH TYR 11 2.757 1.737 9.579
No H/Q in entry = 67
Start of MODEL 25
1 H CYS 2 H CYS 2 -1.582 -3.601 -0.788
2 HA CYS 2 HA CYS 2 -0.256 -2.739 1.683
3 1HB CYS 2 1HB CYS 2 -0.372 -1.384 -1.019
4 2HB CYS 2 2HB CYS 2 0.544 -0.820 0.373
5 H THR 3 H THR 3 -0.807 -0.668 2.606
6 HA THR 3 HA THR 3 -3.561 -0.321 2.993
7 HB THR 3 HB THR 3 -2.756 1.967 3.956
8 HG1 THR 3 HG1 THR 3 -0.576 2.115 4.265
9 1HG2 THR 3 1HG2 THR 3 -2.193 -0.749 4.983
10 2HG2 THR 3 2HG2 THR 3 -1.438 0.616 5.807
11 3HG2 THR 3 3HG2 THR 3 -3.193 0.538 5.655
12 H ALA 4 H ALA 4 -5.013 1.239 2.284
13 HA ALA 4 HA ALA 4 -4.755 2.062 -0.404
14 1HB ALA 4 1HB ALA 4 -6.887 1.598 0.939
15 2HB ALA 4 2HB ALA 4 -6.727 3.257 1.515
16 3HB ALA 4 3HB ALA 4 -6.912 2.936 -0.209
17 H SER 5 H SER 5 -2.544 3.107 0.219
18 HA SER 5 HA SER 5 -3.026 5.990 0.386
19 1HB SER 5 1HB SER 5 -0.875 6.126 1.792
20 2HB SER 5 2HB SER 5 -2.343 5.585 2.608
21 HG SER 5 HG SER 5 -1.575 3.571 2.698
22 H ILE 6 H ILE 6 -1.356 7.284 -0.565
23 HA ILE 6 HA ILE 6 0.263 5.783 -2.514
24 HB ILE 6 HB ILE 6 -0.979 8.523 -2.711
25 1HG1 ILE 6 1HG1 ILE 6 -2.214 7.618 -4.544
26 2HG1 ILE 6 2HG1 ILE 6 -1.224 6.163 -4.580
27 1HG2 ILE 6 1HG2 ILE 6 1.008 7.226 -4.573
28 2HG2 ILE 6 2HG2 ILE 6 0.102 8.700 -4.919
29 3HG2 ILE 6 3HG2 ILE 6 1.267 8.672 -3.596
30 1HD1 ILE 6 1HD1 ILE 6 -2.824 6.811 -2.148
31 2HD1 ILE 6 2HD1 ILE 6 -3.599 6.087 -3.557
32 3HD1 ILE 6 3HD1 ILE 6 -2.275 5.246 -2.750
33 HA PRO 7 HA PRO 7 1.985 5.391 -3.282
34 1HB PRO 7 1HB PRO 7 4.286 4.187 -2.575
35 2HB PRO 7 2HB PRO 7 4.261 5.635 -3.591
36 1HG PRO 7 1HG PRO 7 4.804 5.388 -0.657
37 2HG PRO 7 2HG PRO 7 5.643 6.370 -1.872
38 1HD PRO 7 1HD PRO 7 3.758 7.370 -0.166
39 2HD PRO 7 2HD PRO 7 4.081 8.048 -1.774
40 HA PRO 8 HA PRO 8 0.088 2.285 -0.788
41 1HB PRO 8 1HB PRO 8 1.466 0.332 -2.556
42 2HB PRO 8 2HB PRO 8 -0.253 0.493 -2.181
43 1HG PRO 8 1HG PRO 8 0.705 1.273 -4.542
44 2HG PRO 8 2HG PRO 8 -0.564 2.201 -3.718
45 1HD PRO 8 1HD PRO 8 2.358 2.783 -3.961
46 2HD PRO 8 2HD PRO 8 0.978 3.899 -3.989
47 H GLN 9 H GLN 9 0.653 1.370 1.087
48 HA GLN 9 HA GLN 9 3.459 0.538 1.435
49 1HB GLN 9 1HB GLN 9 2.521 2.562 2.753
50 2HB GLN 9 2HB GLN 9 1.670 1.355 3.706
51 1HG GLN 9 1HG GLN 9 3.484 0.915 4.889
52 2HG GLN 9 2HG GLN 9 4.436 0.639 3.431
53 2HE2 GLN 9 2HE2 GLN 9 5.821 1.670 5.368
54 1HE2 GLN 9 1HE2 GLN 9 6.097 3.363 5.167
55 H CYS 10 H CYS 10 3.886 -1.447 2.261
56 HA CYS 10 HA CYS 10 1.579 -3.107 3.039
57 1HB CYS 10 1HB CYS 10 3.775 -3.636 1.103
58 2HB CYS 10 2HB CYS 10 3.232 -4.984 2.095
59 H TYR 11 H TYR 11 2.338 -5.139 4.231
60 HA TYR 11 HA TYR 11 4.131 -4.265 6.363
61 1HB TYR 11 1HB TYR 11 1.715 -5.514 6.463
62 2HB TYR 11 2HB TYR 11 2.803 -6.890 6.593
63 HD1 TYR 11 HD1 TYR 11 2.975 -3.414 7.956
64 HD2 TYR 11 HD2 TYR 11 2.877 -7.583 8.794
65 HE1 TYR 11 HE1 TYR 11 3.286 -2.934 10.347
66 HE2 TYR 11 HE2 TYR 11 3.187 -7.115 11.188
67 HH TYR 11 HH TYR 11 4.149 -5.266 12.593
No H/Q in entry = 67
Start of MODEL 26
1 H CYS 2 H CYS 2 -1.468 -3.882 -0.833
2 HA CYS 2 HA CYS 2 -0.245 -2.972 1.679
3 1HB CYS 2 1HB CYS 2 -0.340 -1.642 -1.037
4 2HB CYS 2 2HB CYS 2 0.426 -0.962 0.395
5 H THR 3 H THR 3 -0.896 -0.777 2.423
6 HA THR 3 HA THR 3 -3.741 -0.657 2.685
7 HB THR 3 HB THR 3 -3.193 1.483 3.965
8 HG1 THR 3 HG1 THR 3 -1.215 2.163 3.976
9 1HG2 THR 3 1HG2 THR 3 -2.693 -1.232 4.691
10 2HG2 THR 3 2HG2 THR 3 -1.515 -0.178 5.472
11 3HG2 THR 3 3HG2 THR 3 -3.240 0.112 5.692
12 H ALA 4 H ALA 4 -4.931 1.441 2.370
13 HA ALA 4 HA ALA 4 -4.666 2.245 -0.370
14 1HB ALA 4 1HB ALA 4 -6.629 2.623 1.792
15 2HB ALA 4 2HB ALA 4 -6.874 2.260 0.084
16 3HB ALA 4 3HB ALA 4 -6.550 3.917 0.596
17 H SER 5 H SER 5 -2.355 3.021 0.312
18 HA SER 5 HA SER 5 -2.538 5.899 0.923
19 1HB SER 5 1HB SER 5 -0.305 5.768 1.916
20 2HB SER 5 2HB SER 5 -1.397 4.641 2.720
21 HG SER 5 HG SER 5 0.827 4.148 1.159
22 H ILE 6 H ILE 6 -0.755 7.198 -0.029
23 HA ILE 6 HA ILE 6 0.138 6.093 -2.609
24 HB ILE 6 HB ILE 6 -0.428 9.009 -2.366
25 1HG1 ILE 6 1HG1 ILE 6 -2.452 7.924 -1.475
26 2HG1 ILE 6 2HG1 ILE 6 -2.757 8.671 -3.041
27 1HG2 ILE 6 1HG2 ILE 6 -0.032 7.001 -4.476
28 2HG2 ILE 6 2HG2 ILE 6 -1.271 8.212 -4.807
29 3HG2 ILE 6 3HG2 ILE 6 0.380 8.715 -4.445
30 1HD1 ILE 6 1HD1 ILE 6 -1.950 5.910 -3.314
31 2HD1 ILE 6 2HD1 ILE 6 -3.373 6.086 -2.288
32 3HD1 ILE 6 3HD1 ILE 6 -3.381 6.739 -3.926
33 HA PRO 7 HA PRO 7 1.680 5.434 -3.434
34 1HB PRO 7 1HB PRO 7 3.938 4.023 -3.032
35 2HB PRO 7 2HB PRO 7 3.899 5.452 -4.071
36 1HG PRO 7 1HG PRO 7 4.834 5.196 -1.239
37 2HG PRO 7 2HG PRO 7 5.579 6.075 -2.587
38 1HD PRO 7 1HD PRO 7 4.065 7.280 -0.663
39 2HD PRO 7 2HD PRO 7 4.203 7.893 -2.322
40 HA PRO 8 HA PRO 8 -0.083 2.427 -0.742
41 1HB PRO 8 1HB PRO 8 1.230 0.368 -2.447
42 2HB PRO 8 2HB PRO 8 -0.468 0.536 -1.994
43 1HG PRO 8 1HG PRO 8 0.354 1.189 -4.440
44 2HG PRO 8 2HG PRO 8 -0.876 2.154 -3.605
45 1HD PRO 8 1HD PRO 8 2.016 2.744 -4.055
46 2HD PRO 8 2HD PRO 8 0.627 3.848 -4.040
47 H GLN 9 H GLN 9 0.473 1.304 1.069
48 HA GLN 9 HA GLN 9 3.322 0.632 1.414
49 1HB GLN 9 1HB GLN 9 1.566 2.322 3.023
50 2HB GLN 9 2HB GLN 9 2.355 1.068 3.970
51 1HG GLN 9 1HG GLN 9 3.854 2.797 4.124
52 2HG GLN 9 2HG GLN 9 4.507 1.874 2.772
53 2HE2 GLN 9 2HE2 GLN 9 1.948 4.307 3.163
54 1HE2 GLN 9 1HE2 GLN 9 2.505 5.343 1.899
55 H CYS 10 H CYS 10 3.816 -1.287 2.393
56 HA CYS 10 HA CYS 10 1.545 -3.013 3.130
57 1HB CYS 10 1HB CYS 10 3.887 -3.523 1.367
58 2HB CYS 10 2HB CYS 10 3.348 -4.847 2.393
59 H TYR 11 H TYR 11 1.958 -4.616 4.748
60 HA TYR 11 HA TYR 11 4.402 -4.286 6.318
61 1HB TYR 11 1HB TYR 11 2.942 -4.235 8.417
62 2HB TYR 11 2HB TYR 11 3.019 -2.755 7.467
63 HD1 TYR 11 HD1 TYR 11 1.094 -2.115 6.028
64 HD2 TYR 11 HD2 TYR 11 0.893 -5.412 8.710
65 HE1 TYR 11 HE1 TYR 11 -1.359 -2.088 5.868
66 HE2 TYR 11 HE2 TYR 11 -1.561 -5.393 8.557
67 HH TYR 11 HH TYR 11 -3.277 -4.476 6.593
No H/Q in entry = 67
Start of MODEL 27
1 H CYS 2 H CYS 2 -1.794 -4.766 1.284
2 HA CYS 2 HA CYS 2 -0.298 -2.421 2.221
3 1HB CYS 2 1HB CYS 2 -1.121 -3.425 -0.456
4 2HB CYS 2 2HB CYS 2 -1.039 -1.680 -0.238
5 H THR 3 H THR 3 -1.288 -0.314 2.068
6 HA THR 3 HA THR 3 -4.208 -0.427 2.439
7 HB THR 3 HB THR 3 -4.080 1.142 4.122
8 HG1 THR 3 HG1 THR 3 -3.059 2.849 3.368
9 1HG2 THR 3 1HG2 THR 3 -2.526 -0.940 4.556
10 2HG2 THR 3 2HG2 THR 3 -1.275 0.303 4.578
11 3HG2 THR 3 3HG2 THR 3 -2.631 0.397 5.702
12 H ALA 4 H ALA 4 -5.457 1.368 1.685
13 HA ALA 4 HA ALA 4 -4.734 2.240 -0.901
14 1HB ALA 4 1HB ALA 4 -7.075 1.927 0.122
15 2HB ALA 4 2HB ALA 4 -6.865 3.566 0.735
16 3HB ALA 4 3HB ALA 4 -6.823 3.262 -1.002
17 H SER 5 H SER 5 -2.565 3.060 0.172
18 HA SER 5 HA SER 5 -2.886 5.942 0.698
19 1HB SER 5 1HB SER 5 -0.712 5.812 1.904
20 2HB SER 5 2HB SER 5 -1.966 4.822 2.649
21 HG SER 5 HG SER 5 -0.167 3.739 0.766
22 H ILE 6 H ILE 6 -1.033 7.284 -0.024
23 HA ILE 6 HA ILE 6 0.227 6.194 -2.453
24 HB ILE 6 HB ILE 6 -0.908 8.973 -2.125
25 1HG1 ILE 6 1HG1 ILE 6 -1.792 6.949 -4.159
26 2HG1 ILE 6 2HG1 ILE 6 -2.455 6.908 -2.529
27 1HG2 ILE 6 1HG2 ILE 6 0.802 7.701 -4.210
28 2HG2 ILE 6 2HG2 ILE 6 -0.379 8.922 -4.685
29 3HG2 ILE 6 3HG2 ILE 6 0.883 9.322 -3.521
30 1HD1 ILE 6 1HD1 ILE 6 -2.799 9.510 -3.117
31 2HD1 ILE 6 2HD1 ILE 6 -2.937 8.798 -4.724
32 3HD1 ILE 6 3HD1 ILE 6 -4.003 8.260 -3.426
33 HA PRO 7 HA PRO 7 1.875 5.700 -3.175
34 1HB PRO 7 1HB PRO 7 4.191 4.442 -2.657
35 2HB PRO 7 2HB PRO 7 4.134 5.931 -3.608
36 1HG PRO 7 1HG PRO 7 4.842 5.552 -0.725
37 2HG PRO 7 2HG PRO 7 5.627 6.572 -1.945
38 1HD PRO 7 1HD PRO 7 3.855 7.518 -0.087
39 2HD PRO 7 2HD PRO 7 4.110 8.268 -1.675
40 HA PRO 8 HA PRO 8 0.319 2.502 -0.553
41 1HB PRO 8 1HB PRO 8 0.576 0.338 -2.163
42 2HB PRO 8 2HB PRO 8 -0.628 1.599 -2.445
43 1HG PRO 8 1HG PRO 8 2.039 1.204 -3.745
44 2HG PRO 8 2HG PRO 8 0.487 1.638 -4.485
45 1HD PRO 8 1HD PRO 8 2.415 3.466 -3.941
46 2HD PRO 8 2HD PRO 8 0.684 3.855 -3.894
47 H GLN 9 H GLN 9 1.157 1.376 1.094
48 HA GLN 9 HA GLN 9 3.821 0.166 0.750
49 1HB GLN 9 1HB GLN 9 3.056 2.230 2.528
50 2HB GLN 9 2HB GLN 9 3.301 0.787 3.503
51 1HG GLN 9 1HG GLN 9 5.408 1.638 3.516
52 2HG GLN 9 2HG GLN 9 5.508 0.608 2.089
53 2HE2 GLN 9 2HE2 GLN 9 7.230 1.918 1.346
54 1HE2 GLN 9 1HE2 GLN 9 6.926 3.450 0.610
55 H CYS 10 H CYS 10 4.211 -1.798 1.778
56 HA CYS 10 HA CYS 10 1.809 -3.159 2.811
57 1HB CYS 10 1HB CYS 10 3.918 -4.031 0.900
58 2HB CYS 10 2HB CYS 10 3.285 -5.240 2.011
59 H TYR 11 H TYR 11 2.508 -2.311 4.915
60 HA TYR 11 HA TYR 11 4.873 -3.626 6.036
61 1HB TYR 11 1HB TYR 11 3.654 -1.090 6.434
62 2HB TYR 11 2HB TYR 11 3.531 -1.976 7.950
63 HD1 TYR 11 HD1 TYR 11 6.123 -1.528 5.284
64 HD2 TYR 11 HD2 TYR 11 5.219 -1.519 9.441
65 HE1 TYR 11 HE1 TYR 11 8.466 -0.977 5.786
66 HE2 TYR 11 HE2 TYR 11 7.560 -0.968 9.955
67 HH TYR 11 HH TYR 11 9.647 0.273 7.918
No H/Q in entry = 67
Start of MODEL 28
1 H CYS 2 H CYS 2 -1.527 -3.613 -0.895
2 HA CYS 2 HA CYS 2 -0.336 -3.012 1.725
3 1HB CYS 2 1HB CYS 2 -0.097 -1.677 -0.969
4 2HB CYS 2 2HB CYS 2 0.437 -0.893 0.515
5 H THR 3 H THR 3 -0.802 -0.820 2.605
6 HA THR 3 HA THR 3 -3.583 -0.450 2.910
7 HB THR 3 HB THR 3 -2.890 1.677 4.094
8 HG1 THR 3 HG1 THR 3 -0.773 2.154 4.252
9 1HG2 THR 3 1HG2 THR 3 -1.737 -0.974 4.841
10 2HG2 THR 3 2HG2 THR 3 -1.435 0.458 5.825
11 3HG2 THR 3 3HG2 THR 3 -3.087 -0.098 5.561
12 H ALA 4 H ALA 4 -4.948 1.197 2.201
13 HA ALA 4 HA ALA 4 -4.565 2.065 -0.455
14 1HB ALA 4 1HB ALA 4 -6.582 2.776 1.654
15 2HB ALA 4 2HB ALA 4 -6.790 1.754 0.232
16 3HB ALA 4 3HB ALA 4 -6.611 3.499 0.045
17 H SER 5 H SER 5 -2.325 2.984 0.296
18 HA SER 5 HA SER 5 -2.683 5.862 0.819
19 1HB SER 5 1HB SER 5 -0.442 5.855 1.850
20 2HB SER 5 2HB SER 5 -1.545 4.766 2.692
21 HG SER 5 HG SER 5 -0.591 3.039 1.520
22 H ILE 6 H ILE 6 -0.919 7.225 -0.090
23 HA ILE 6 HA ILE 6 0.104 6.122 -2.623
24 HB ILE 6 HB ILE 6 -0.695 9.002 -2.369
25 1HG1 ILE 6 1HG1 ILE 6 -2.542 6.929 -3.522
26 2HG1 ILE 6 2HG1 ILE 6 -2.600 7.327 -1.807
27 1HG2 ILE 6 1HG2 ILE 6 0.537 7.461 -4.346
28 2HG2 ILE 6 2HG2 ILE 6 -1.107 7.739 -4.920
29 3HG2 ILE 6 3HG2 ILE 6 -0.077 9.107 -4.499
30 1HD1 ILE 6 1HD1 ILE 6 -2.989 9.692 -2.427
31 2HD1 ILE 6 2HD1 ILE 6 -3.073 9.193 -4.116
32 3HD1 ILE 6 3HD1 ILE 6 -4.263 8.595 -2.962
33 HA PRO 7 HA PRO 7 1.715 5.497 -3.364
34 1HB PRO 7 1HB PRO 7 3.990 4.172 -2.785
35 2HB PRO 7 2HB PRO 7 3.963 5.560 -3.881
36 1HG PRO 7 1HG PRO 7 4.742 5.444 -0.991
37 2HG PRO 7 2HG PRO 7 5.540 6.288 -2.332
38 1HD PRO 7 1HD PRO 7 3.897 7.536 -0.557
39 2HD PRO 7 2HD PRO 7 4.089 8.068 -2.240
40 HA PRO 8 HA PRO 8 0.111 2.623 -0.413
41 1HB PRO 8 1HB PRO 8 0.036 0.366 -1.895
42 2HB PRO 8 2HB PRO 8 -1.054 1.727 -2.188
43 1HG PRO 8 1HG PRO 8 1.460 0.970 -3.623
44 2HG PRO 8 2HG PRO 8 -0.085 1.528 -4.290
45 1HD PRO 8 1HD PRO 8 2.076 3.155 -3.968
46 2HD PRO 8 2HD PRO 8 0.402 3.738 -3.895
47 H GLN 9 H GLN 9 0.929 1.426 1.202
48 HA GLN 9 HA GLN 9 3.415 -0.071 0.727
49 1HB GLN 9 1HB GLN 9 2.802 1.730 3.074
50 2HB GLN 9 2HB GLN 9 4.160 0.614 3.017
51 1HG GLN 9 1HG GLN 9 5.289 1.853 1.440
52 2HG GLN 9 2HG GLN 9 3.822 2.632 0.849
53 2HE2 GLN 9 2HE2 GLN 9 5.207 4.555 1.048
54 1HE2 GLN 9 1HE2 GLN 9 5.266 5.369 2.570
55 H CYS 10 H CYS 10 3.776 -1.857 2.156
56 HA CYS 10 HA CYS 10 1.273 -2.901 3.303
57 1HB CYS 10 1HB CYS 10 3.632 -4.318 2.067
58 2HB CYS 10 2HB CYS 10 2.398 -5.159 2.997
59 H TYR 11 H TYR 11 1.191 -3.381 5.409
60 HA TYR 11 HA TYR 11 3.622 -2.998 6.991
61 1HB TYR 11 1HB TYR 11 0.696 -2.796 7.552
62 2HB TYR 11 2HB TYR 11 1.779 -3.179 8.887
63 HD1 TYR 11 HD1 TYR 11 3.335 -1.176 6.378
64 HD2 TYR 11 HD2 TYR 11 0.808 -0.984 9.795
65 HE1 TYR 11 HE1 TYR 11 3.865 1.211 6.628
66 HE2 TYR 11 HE2 TYR 11 1.329 1.404 10.054
67 HH TYR 11 HH TYR 11 2.138 3.262 8.786
No H/Q in entry = 67
Start of MODEL 29
1 H CYS 2 H CYS 2 -1.976 -4.803 0.224
2 HA CYS 2 HA CYS 2 -0.346 -3.132 2.004
3 1HB CYS 2 1HB CYS 2 -0.850 -3.170 -0.928
4 2HB CYS 2 2HB CYS 2 -0.568 -1.603 -0.179
5 H THR 3 H THR 3 -0.981 -0.816 2.155
6 HA THR 3 HA THR 3 -3.875 -0.634 2.577
7 HB THR 3 HB THR 3 -3.436 1.108 4.137
8 HG1 THR 3 HG1 THR 3 -1.689 2.307 4.102
9 1HG2 THR 3 1HG2 THR 3 -2.212 -1.385 4.459
10 2HG2 THR 3 2HG2 THR 3 -1.043 -0.187 5.015
11 3HG2 THR 3 3HG2 THR 3 -2.663 -0.229 5.712
12 H ALA 4 H ALA 4 -5.027 1.276 1.956
13 HA ALA 4 HA ALA 4 -4.399 2.155 -0.668
14 1HB ALA 4 1HB ALA 4 -6.703 1.917 0.485
15 2HB ALA 4 2HB ALA 4 -6.390 3.549 1.079
16 3HB ALA 4 3HB ALA 4 -6.449 3.236 -0.656
17 H SER 5 H SER 5 -2.152 2.838 0.383
18 HA SER 5 HA SER 5 -2.292 5.658 1.188
19 1HB SER 5 1HB SER 5 0.029 5.382 1.946
20 2HB SER 5 2HB SER 5 -1.020 4.173 2.686
21 HG SER 5 HG SER 5 1.169 3.742 1.320
22 H ILE 6 H ILE 6 -0.590 7.099 0.301
23 HA ILE 6 HA ILE 6 0.120 6.389 -2.468
24 HB ILE 6 HB ILE 6 -1.007 9.004 -1.476
25 1HG1 ILE 6 1HG1 ILE 6 -2.570 8.517 -3.471
26 2HG1 ILE 6 2HG1 ILE 6 -1.934 6.877 -3.396
27 1HG2 ILE 6 1HG2 ILE 6 0.891 8.545 -3.564
28 2HG2 ILE 6 2HG2 ILE 6 -0.633 9.092 -4.263
29 3HG2 ILE 6 3HG2 ILE 6 0.170 10.063 -3.028
30 1HD1 ILE 6 1HD1 ILE 6 -2.992 8.093 -0.904
31 2HD1 ILE 6 2HD1 ILE 6 -4.133 7.560 -2.138
32 3HD1 ILE 6 3HD1 ILE 6 -2.994 6.411 -1.434
33 HA PRO 7 HA PRO 7 1.635 5.784 -3.377
34 1HB PRO 7 1HB PRO 7 3.915 4.361 -3.161
35 2HB PRO 7 2HB PRO 7 3.824 5.858 -4.097
36 1HG PRO 7 1HG PRO 7 4.875 5.415 -1.329
37 2HG PRO 7 2HG PRO 7 5.559 6.392 -2.642
38 1HD PRO 7 1HD PRO 7 4.123 7.451 -0.581
39 2HD PRO 7 2HD PRO 7 4.178 8.173 -2.201
40 HA PRO 8 HA PRO 8 -0.023 2.673 -0.724
41 1HB PRO 8 1HB PRO 8 0.767 0.733 -2.829
42 2HB PRO 8 2HB PRO 8 -0.822 1.042 -2.124
43 1HG PRO 8 1HG PRO 8 -0.233 1.884 -4.584
44 2HG PRO 8 2HG PRO 8 -1.220 2.872 -3.491
45 1HD PRO 8 1HD PRO 8 1.659 3.173 -4.243
46 2HD PRO 8 2HD PRO 8 0.425 4.423 -3.975
47 H GLN 9 H GLN 9 0.797 1.553 0.936
48 HA GLN 9 HA GLN 9 3.411 0.245 0.601
49 1HB GLN 9 1HB GLN 9 3.815 2.317 1.785
50 2HB GLN 9 2HB GLN 9 2.520 1.962 2.921
51 1HG GLN 9 1HG GLN 9 3.763 0.101 3.820
52 2HG GLN 9 2HG GLN 9 5.032 0.333 2.619
53 2HE2 GLN 9 2HE2 GLN 9 6.765 1.225 3.452
54 1HE2 GLN 9 1HE2 GLN 9 6.804 2.435 4.685
55 H CYS 10 H CYS 10 3.841 -1.459 2.175
56 HA CYS 10 HA CYS 10 1.349 -2.741 3.086
57 1HB CYS 10 1HB CYS 10 3.794 -3.809 1.770
58 2HB CYS 10 2HB CYS 10 3.020 -4.827 2.980
59 H TYR 11 H TYR 11 1.488 -4.055 5.020
60 HA TYR 11 HA TYR 11 3.752 -3.493 6.781
61 1HB TYR 11 1HB TYR 11 0.894 -2.714 7.308
62 2HB TYR 11 2HB TYR 11 2.008 -3.033 8.634
63 HD1 TYR 11 HD1 TYR 11 4.305 -1.730 8.472
64 HD2 TYR 11 HD2 TYR 11 0.715 -0.553 6.515
65 HE1 TYR 11 HE1 TYR 11 5.152 0.574 8.317
66 HE2 TYR 11 HE2 TYR 11 1.552 1.755 6.355
67 HH TYR 11 HH TYR 11 4.687 2.604 6.728
No H/Q in entry = 67
Start of MODEL 30
1 H CYS 2 H CYS 2 -1.807 -4.196 -0.354
2 HA CYS 2 HA CYS 2 -0.414 -3.010 1.940
3 1HB CYS 2 1HB CYS 2 -0.583 -2.151 -0.953
4 2HB CYS 2 2HB CYS 2 0.228 -1.222 0.304
5 H THR 3 H THR 3 -0.944 -0.832 2.591
6 HA THR 3 HA THR 3 -3.764 -0.440 2.816
7 HB THR 3 HB THR 3 -3.242 1.391 4.247
8 HG1 THR 3 HG1 THR 3 -0.936 2.055 4.330
9 1HG2 THR 3 1HG2 THR 3 -1.738 -1.056 4.542
10 2HG2 THR 3 2HG2 THR 3 -0.920 0.317 5.286
11 3HG2 THR 3 3HG2 THR 3 -2.570 -0.084 5.755
12 H ALA 4 H ALA 4 -5.029 1.241 2.007
13 HA ALA 4 HA ALA 4 -4.436 2.067 -0.632
14 1HB ALA 4 1HB ALA 4 -6.726 1.709 0.364
15 2HB ALA 4 2HB ALA 4 -6.538 3.278 1.147
16 3HB ALA 4 3HB ALA 4 -6.533 3.165 -0.613
17 H SER 5 H SER 5 -2.243 2.942 0.348
18 HA SER 5 HA SER 5 -2.585 5.810 0.926
19 1HB SER 5 1HB SER 5 -0.057 5.491 1.626
20 2HB SER 5 2HB SER 5 -1.359 5.050 2.731
21 HG SER 5 HG SER 5 -0.398 3.179 2.728
22 H ILE 6 H ILE 6 -0.862 7.231 0.043
23 HA ILE 6 HA ILE 6 0.094 6.270 -2.572
24 HB ILE 6 HB ILE 6 -0.784 9.100 -2.033
25 1HG1 ILE 6 1HG1 ILE 6 -2.444 7.337 -3.744
26 2HG1 ILE 6 2HG1 ILE 6 -2.529 7.039 -2.010
27 1HG2 ILE 6 1HG2 ILE 6 -0.179 7.576 -4.563
28 2HG2 ILE 6 2HG2 ILE 6 -0.834 9.213 -4.506
29 3HG2 ILE 6 3HG2 ILE 6 0.773 8.883 -3.856
30 1HD1 ILE 6 1HD1 ILE 6 -2.743 9.807 -2.304
31 2HD1 ILE 6 2HD1 ILE 6 -3.754 9.108 -3.569
32 3HD1 ILE 6 3HD1 ILE 6 -4.020 8.665 -1.883
33 HA PRO 7 HA PRO 7 1.664 5.634 -3.348
34 1HB PRO 7 1HB PRO 7 3.950 4.276 -2.932
35 2HB PRO 7 2HB PRO 7 3.891 5.719 -3.951
36 1HG PRO 7 1HG PRO 7 4.792 5.442 -1.110
37 2HG PRO 7 2HG PRO 7 5.532 6.361 -2.434
38 1HD PRO 7 1HD PRO 7 3.959 7.495 -0.512
39 2HD PRO 7 2HD PRO 7 4.109 8.140 -2.157
40 HA PRO 8 HA PRO 8 0.080 2.636 -0.518
41 1HB PRO 8 1HB PRO 8 0.211 0.383 -2.044
42 2HB PRO 8 2HB PRO 8 -0.996 1.651 -2.290
43 1HG PRO 8 1HG PRO 8 1.572 1.172 -3.754
44 2HG PRO 8 2HG PRO 8 -0.022 1.603 -4.402
45 1HD PRO 8 1HD PRO 8 1.940 3.428 -4.081
46 2HD PRO 8 2HD PRO 8 0.226 3.837 -3.868
47 H GLN 9 H GLN 9 0.855 1.363 1.080
48 HA GLN 9 HA GLN 9 3.464 0.064 0.693
49 1HB GLN 9 1HB GLN 9 3.999 2.028 1.921
50 2HB GLN 9 2HB GLN 9 2.613 1.828 2.983
51 1HG GLN 9 1HG GLN 9 3.609 0.024 4.117
52 2HG GLN 9 2HG GLN 9 4.858 -0.158 2.885
53 2HE2 GLN 9 2HE2 GLN 9 6.454 -0.016 4.496
54 1HE2 GLN 9 1HE2 GLN 9 6.889 1.501 5.198
55 H CYS 10 H CYS 10 3.908 -1.652 2.262
56 HA CYS 10 HA CYS 10 1.435 -2.896 3.271
57 1HB CYS 10 1HB CYS 10 3.652 -4.018 1.633
58 2HB CYS 10 2HB CYS 10 2.951 -5.061 2.866
59 H TYR 11 H TYR 11 1.520 -2.595 5.417
60 HA TYR 11 HA TYR 11 3.830 -3.680 6.846
61 1HB TYR 11 1HB TYR 11 3.200 -0.881 6.670
62 2HB TYR 11 2HB TYR 11 3.000 -1.423 8.333
63 HD1 TYR 11 HD1 TYR 11 5.444 -2.028 5.561
64 HD2 TYR 11 HD2 TYR 11 4.842 -1.085 9.666
65 HE1 TYR 11 HE1 TYR 11 7.879 -1.909 5.884
66 HE2 TYR 11 HE2 TYR 11 7.275 -0.963 10.001
67 HH TYR 11 HH TYR 11 9.291 -1.488 9.076
No H/Q in entry = 67
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