Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
10944 | 1qmw RC | 4503 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ILE 1 H1 ILE 1 0.663 6.108 -3.739
2 H2 ILE 1 H2 ILE 1 1.943 6.807 -2.954
3 H3 ILE 1 H3 ILE 1 2.146 5.371 -3.752
4 HA ILE 1 HA ILE 1 2.046 4.710 -1.606
5 HB ILE 1 HB ILE 1 0.056 5.654 -0.198
6 1HG1 ILE 1 1HG1 ILE 1 0.400 7.889 -2.238
7 2HG1 ILE 1 2HG1 ILE 1 -0.977 6.760 -2.233
8 1HG2 ILE 1 1HG2 ILE 1 2.756 6.375 -0.568
9 2HG2 ILE 1 2HG2 ILE 1 1.866 7.917 -0.546
10 3HG2 ILE 1 3HG2 ILE 1 1.723 6.788 0.822
11 1HD1 ILE 1 1HD1 ILE 1 -0.367 8.010 0.391
12 2HD1 ILE 1 2HD1 ILE 1 -0.930 9.137 -0.865
13 3HD1 ILE 1 3HD1 ILE 1 -1.934 7.741 -0.407
14 H CYS 2 H CYS 2 0.142 3.466 -0.364
15 HA CYS 2 HA CYS 2 -2.033 2.752 -2.063
16 1HB CYS 2 1HB CYS 2 -0.058 1.464 -2.996
17 2HB CYS 2 2HB CYS 2 -0.017 0.581 -1.482
18 H CYS 3 H CYS 3 -3.621 2.778 -0.508
19 HA CYS 3 HA CYS 3 -2.889 1.955 2.179
20 1HB CYS 3 1HB CYS 3 -4.097 4.129 1.664
21 2HB CYS 3 2HB CYS 3 -5.503 3.160 1.273
22 H ASN 4 H ASN 4 -2.689 -0.330 1.095
23 HA ASN 4 HA ASN 4 -5.166 -1.658 1.633
24 1HB ASN 4 1HB ASN 4 -4.424 -1.093 -1.069
25 2HB ASN 4 2HB ASN 4 -4.045 -2.788 -0.830
26 2HD2 ASN 4 1HD2 ASN 4 -5.881 -2.453 -2.583
27 1HD2 ASN 4 2HD2 ASN 4 -7.488 -2.763 -2.015
28 HA PRO 5 HA PRO 5 -2.182 -4.596 2.936
29 1HB PRO 5 1HB PRO 5 -3.681 -6.873 3.122
30 2HB PRO 5 2HB PRO 5 -3.680 -5.624 4.351
31 1HG PRO 5 2HG PRO 5 -5.897 -5.299 3.806
32 2HG PRO 5 1HG PRO 5 -5.749 -6.233 2.330
33 1HD PRO 5 1HD PRO 5 -5.711 -4.269 1.136
34 2HD PRO 5 2HD PRO 5 -5.742 -3.336 2.619
35 H ALA 6 H ALA 6 -4.023 -5.342 0.091
36 HA ALA 6 HA ALA 6 -2.357 -7.466 -0.738
37 1HB ALA 6 2HB ALA 6 -4.136 -5.615 -2.376
38 2HB ALA 6 1HB ALA 6 -4.702 -7.057 -1.499
39 3HB ALA 6 3HB ALA 6 -3.557 -7.231 -2.851
40 H CYS 7 H CYS 7 -1.782 -4.131 -0.374
41 HA CYS 7 HA CYS 7 -0.192 -3.746 -2.692
42 1HB CYS 7 1HB CYS 7 -0.173 -2.173 -0.109
43 2HB CYS 7 2HB CYS 7 0.476 -1.662 -1.654
44 H GLY 8 H GLY 8 0.218 -5.043 0.589
45 1HA GLY 8 1HA GLY 8 1.989 -5.892 1.688
46 2HA GLY 8 2HA GLY 8 2.517 -6.449 0.113
47 HA PRO 9 HA PRO 9 5.894 -3.755 0.677
48 1HB PRO 9 1HB PRO 9 7.152 -4.165 -1.715
49 2HB PRO 9 2HB PRO 9 7.335 -5.236 -0.340
50 1HG PRO 9 1HG PRO 9 5.769 -5.647 -2.813
51 2HG PRO 9 2HG PRO 9 6.308 -6.836 -1.645
52 1HD PRO 9 1HD PRO 9 3.656 -5.774 -1.916
53 2HD PRO 9 2HD PRO 9 4.222 -6.876 -0.676
54 H LYS 10 H LYS 10 3.251 -3.125 -1.009
55 HA LYS 10 HA LYS 10 4.395 -0.620 -2.031
56 1HB LYS 10 1HB LYS 10 3.469 -2.274 -3.726
57 2HB LYS 10 2HB LYS 10 1.886 -1.985 -3.035
58 1HG LYS 10 1HG LYS 10 2.684 0.601 -3.379
59 2HG LYS 10 2HG LYS 10 3.616 -0.149 -4.660
60 1HD LYS 10 1HD LYS 10 1.134 -1.357 -4.990
61 2HD LYS 10 2HD LYS 10 0.679 0.244 -4.442
62 1HE LYS 10 1HE LYS 10 2.707 -0.167 -6.680
63 2HE LYS 10 2HE LYS 10 0.986 -0.089 -6.998
64 1HZ LYS 10 1HZ LYS 10 2.242 2.007 -5.411
65 2HZ LYS 10 2HZ LYS 10 2.373 2.040 -7.039
66 3HZ LYS 10 3HZ LYS 10 0.898 2.083 -6.337
67 H TYR 11 H TYR 11 2.718 -1.993 0.509
68 HA TYR 11 HA TYR 11 0.545 -0.234 0.803
69 1HB TYR 11 1HB TYR 11 0.941 -2.444 1.980
70 2HB TYR 11 2HB TYR 11 2.359 -1.776 2.763
71 HD1 TYR 11 HD1 TYR 11 -1.084 -0.352 2.315
72 HD2 TYR 11 HD2 TYR 11 1.918 -1.701 5.049
73 HE1 TYR 11 HE1 TYR 11 -2.516 0.407 4.273
74 HE2 TYR 11 HE2 TYR 11 0.474 -0.938 6.998
75 HH TYR 11 HH TYR 11 -2.795 -0.090 6.595
76 H SER 12 H SER 12 0.599 1.934 1.094
77 HA SER 12 HA SER 12 2.583 2.943 2.938
78 1HB SER 12 1HB SER 12 2.804 3.276 0.115
79 2HB SER 12 2HB SER 12 2.273 4.825 0.738
80 HG SER 12 HG SER 12 4.206 5.153 1.601
81 H CYS 13 H CYS 13 0.523 2.944 4.241
82 HA CYS 13 HA CYS 13 -0.812 5.478 3.859
83 1HB CYS 13 1HB CYS 13 -2.298 4.095 2.621
84 2HB CYS 13 2HB CYS 13 -2.269 2.836 3.839
No H/Q in entry = 84
Start of MODEL 2
1 H1 ILE 1 H1 ILE 1 0.697 6.266 -3.598
2 H2 ILE 1 H2 ILE 1 1.901 7.029 -2.755
3 H3 ILE 1 H3 ILE 1 2.220 5.617 -3.559
4 HA ILE 1 HA ILE 1 2.061 4.868 -1.467
5 HB ILE 1 HB ILE 1 0.062 5.770 -0.043
6 1HG1 ILE 1 1HG1 ILE 1 0.428 8.125 -1.926
7 2HG1 ILE 1 2HG1 ILE 1 -0.886 6.942 -2.134
8 1HG2 ILE 1 1HG2 ILE 1 2.762 6.492 -0.364
9 2HG2 ILE 1 2HG2 ILE 1 1.881 8.039 -0.326
10 3HG2 ILE 1 3HG2 ILE 1 1.715 6.886 1.019
11 1HD1 ILE 1 1HD1 ILE 1 -1.592 7.384 0.233
12 2HD1 ILE 1 2HD1 ILE 1 -0.350 8.656 0.328
13 3HD1 ILE 1 3HD1 ILE 1 -1.708 8.823 -0.809
14 H CYS 2 H CYS 2 0.124 3.614 -0.258
15 HA CYS 2 HA CYS 2 -2.031 2.936 -1.993
16 1HB CYS 2 1HB CYS 2 -0.051 1.671 -2.946
17 2HB CYS 2 2HB CYS 2 -0.020 0.749 -1.456
18 H CYS 3 H CYS 3 -3.629 2.919 -0.446
19 HA CYS 3 HA CYS 3 -2.912 2.023 2.222
20 1HB CYS 3 1HB CYS 3 -4.114 4.215 1.756
21 2HB CYS 3 2HB CYS 3 -5.522 3.259 1.339
22 H ASN 4 H ASN 4 -2.713 -0.232 1.084
23 HA ASN 4 HA ASN 4 -5.197 -1.567 1.570
24 1HB ASN 4 1HB ASN 4 -4.440 -0.931 -1.112
25 2HB ASN 4 2HB ASN 4 -4.067 -2.631 -0.917
26 2HD2 ASN 4 1HD2 ASN 4 -5.621 -3.910 -1.525
27 1HD2 ASN 4 2HD2 ASN 4 -7.326 -3.651 -1.373
28 HA PRO 5 HA PRO 5 -2.229 -4.550 2.808
29 1HB PRO 5 1HB PRO 5 -3.737 -6.826 2.920
30 2HB PRO 5 2HB PRO 5 -3.739 -5.612 4.184
31 1HG PRO 5 2HG PRO 5 -5.952 -5.266 3.635
32 2HG PRO 5 1HG PRO 5 -5.798 -6.158 2.134
33 1HD PRO 5 1HD PRO 5 -5.747 -4.162 0.995
34 2HD PRO 5 2HD PRO 5 -5.784 -3.271 2.504
35 H ALA 6 H ALA 6 -4.056 -5.212 -0.069
36 HA ALA 6 HA ALA 6 -2.391 -7.315 -0.948
37 1HB ALA 6 3HB ALA 6 -4.461 -7.304 -1.984
38 2HB ALA 6 1HB ALA 6 -4.510 -5.530 -2.110
39 3HB ALA 6 2HB ALA 6 -3.489 -6.474 -3.221
40 H CYS 7 H CYS 7 -1.812 -3.991 -0.490
41 HA CYS 7 HA CYS 7 -0.207 -3.544 -2.785
42 1HB CYS 7 2HB CYS 7 0.463 -1.495 -1.681
43 2HB CYS 7 1HB CYS 7 -0.196 -2.050 -0.156
44 H GLY 8 H GLY 8 0.184 -4.937 0.460
45 1HA GLY 8 1HA GLY 8 1.947 -5.821 1.544
46 2HA GLY 8 2HA GLY 8 2.477 -6.340 -0.044
47 HA PRO 9 HA PRO 9 5.866 -3.679 0.600
48 1HB PRO 9 1HB PRO 9 7.127 -4.027 -1.799
49 2HB PRO 9 2HB PRO 9 7.302 -5.137 -0.454
50 1HG PRO 9 2HG PRO 9 6.270 -6.695 -1.806
51 2HG PRO 9 1HG PRO 9 5.740 -5.470 -2.942
52 1HD PRO 9 1HD PRO 9 3.624 -5.614 -2.053
53 2HD PRO 9 2HD PRO 9 4.182 -6.751 -0.843
54 H LYS 10 H LYS 10 3.229 -2.990 -1.075
55 HA LYS 10 HA LYS 10 4.387 -0.461 -2.023
56 1HB LYS 10 1HB LYS 10 3.458 -2.067 -3.764
57 2HB LYS 10 2HB LYS 10 1.874 -1.781 -3.073
58 1HG LYS 10 1HG LYS 10 2.761 0.808 -3.350
59 2HG LYS 10 2HG LYS 10 3.598 0.048 -4.688
60 1HD LYS 10 1HD LYS 10 0.850 -0.912 -4.598
61 2HD LYS 10 2HD LYS 10 0.855 0.840 -4.573
62 1HE LYS 10 2HE LYS 10 2.502 0.746 -6.556
63 2HE LYS 10 1HE LYS 10 0.852 0.262 -6.894
64 1HZ LYS 10 1HZ LYS 10 1.558 -2.037 -6.549
65 2HZ LYS 10 2HZ LYS 10 2.360 -1.327 -7.782
66 3HZ LYS 10 3HZ LYS 10 3.102 -1.546 -6.345
67 H TYR 11 H TYR 11 2.693 -1.899 0.471
68 HA TYR 11 HA TYR 11 0.526 -0.144 0.808
69 1HB TYR 11 1HB TYR 11 0.917 -2.385 1.926
70 2HB TYR 11 2HB TYR 11 2.332 -1.738 2.732
71 HD1 TYR 11 HD1 TYR 11 -1.218 -0.561 2.320
72 HD2 TYR 11 HD2 TYR 11 1.989 -1.466 5.004
73 HE1 TYR 11 HE1 TYR 11 -2.659 0.147 4.292
74 HE2 TYR 11 HE2 TYR 11 0.537 -0.755 6.967
75 HH TYR 11 HH TYR 11 -1.324 0.557 7.442
76 H SER 12 H SER 12 0.585 2.016 1.155
77 HA SER 12 HA SER 12 2.565 2.972 3.031
78 1HB SER 12 1HB SER 12 2.792 3.381 0.216
79 2HB SER 12 2HB SER 12 2.269 4.915 0.886
80 HG SER 12 HG SER 12 4.551 3.365 1.778
81 H CYS 13 H CYS 13 0.499 2.943 4.327
82 HA CYS 13 HA CYS 13 -0.827 5.491 4.008
83 1HB CYS 13 1HB CYS 13 -2.311 4.146 2.724
84 2HB CYS 13 2HB CYS 13 -2.293 2.856 3.909
No H/Q in entry = 84
Start of MODEL 3
1 H1 ILE 1 H1 ILE 1 0.864 6.034 -3.774
2 H2 ILE 1 H2 ILE 1 1.964 6.910 -2.899
3 H3 ILE 1 H3 ILE 1 2.421 5.492 -3.622
4 HA ILE 1 HA ILE 1 2.176 4.747 -1.558
5 HB ILE 1 HB ILE 1 0.151 5.679 -0.188
6 1HG1 ILE 1 1HG1 ILE 1 0.558 8.058 -2.011
7 2HG1 ILE 1 2HG1 ILE 1 -0.671 6.829 -2.396
8 1HG2 ILE 1 1HG2 ILE 1 2.835 6.300 -0.352
9 2HG2 ILE 1 2HG2 ILE 1 2.076 7.892 -0.592
10 3HG2 ILE 1 3HG2 ILE 1 1.718 6.946 0.872
11 1HD1 ILE 1 1HD1 ILE 1 -0.907 7.426 0.390
12 2HD1 ILE 1 2HD1 ILE 1 -0.814 8.977 -0.478
13 3HD1 ILE 1 3HD1 ILE 1 -2.067 7.789 -0.911
14 H CYS 2 H CYS 2 0.198 3.538 -0.348
15 HA CYS 2 HA CYS 2 -1.920 2.817 -2.105
16 1HB CYS 2 1HB CYS 2 0.074 1.528 -2.996
17 2HB CYS 2 2HB CYS 2 0.079 0.639 -1.486
18 H CYS 3 H CYS 3 -3.537 2.857 -0.578
19 HA CYS 3 HA CYS 3 -2.868 2.009 2.118
20 1HB CYS 3 1HB CYS 3 -4.046 4.198 1.594
21 2HB CYS 3 2HB CYS 3 -5.452 3.244 1.165
22 H ASN 4 H ASN 4 -2.665 -0.271 1.025
23 HA ASN 4 HA ASN 4 -5.167 -1.580 1.501
24 1HB ASN 4 1HB ASN 4 -4.357 -1.008 -1.180
25 2HB ASN 4 2HB ASN 4 -3.999 -2.706 -0.942
26 2HD2 ASN 4 1HD2 ASN 4 -5.550 -4.011 -1.500
27 1HD2 ASN 4 2HD2 ASN 4 -7.256 -3.730 -1.401
28 HA PRO 5 HA PRO 5 -2.240 -4.552 2.857
29 1HB PRO 5 1HB PRO 5 -3.766 -6.815 2.997
30 2HB PRO 5 2HB PRO 5 -3.780 -5.572 4.232
31 1HG PRO 5 2HG PRO 5 -5.981 -5.224 3.638
32 2HG PRO 5 1HG PRO 5 -5.809 -6.151 2.161
33 1HD PRO 5 1HD PRO 5 -5.725 -4.182 0.977
34 2HD PRO 5 2HD PRO 5 -5.781 -3.256 2.465
35 H ALA 6 H ALA 6 -4.023 -5.266 -0.034
36 HA ALA 6 HA ALA 6 -2.359 -7.401 -0.836
37 1HB ALA 6 3HB ALA 6 -4.444 -7.367 -1.874
38 2HB ALA 6 1HB ALA 6 -4.412 -5.604 -2.116
39 3HB ALA 6 2HB ALA 6 -3.412 -6.661 -3.140
40 H CYS 7 H CYS 7 -1.761 -4.072 -0.444
41 HA CYS 7 HA CYS 7 -0.115 -3.689 -2.720
42 1HB CYS 7 2HB CYS 7 0.552 -1.620 -1.653
43 2HB CYS 7 1HB CYS 7 -0.136 -2.136 -0.125
44 H GLY 8 H GLY 8 0.210 -5.010 0.562
45 1HA GLY 8 1HA GLY 8 1.949 -5.883 1.695
46 2HA GLY 8 2HA GLY 8 2.501 -6.441 0.129
47 HA PRO 9 HA PRO 9 5.900 -3.791 0.768
48 1HB PRO 9 1HB PRO 9 7.197 -4.205 -1.602
49 2HB PRO 9 2HB PRO 9 7.341 -5.285 -0.230
50 1HG PRO 9 1HG PRO 9 5.817 -5.663 -2.735
51 2HG PRO 9 2HG PRO 9 6.319 -6.866 -1.563
52 1HD PRO 9 1HD PRO 9 3.686 -5.771 -1.878
53 2HD PRO 9 2HD PRO 9 4.216 -6.884 -0.633
54 H LYS 10 H LYS 10 3.296 -3.123 -0.967
55 HA LYS 10 HA LYS 10 4.489 -0.624 -1.950
56 1HB LYS 10 1HB LYS 10 3.605 -2.230 -3.690
57 2HB LYS 10 2HB LYS 10 2.005 -1.989 -3.017
58 1HG LYS 10 1HG LYS 10 2.819 0.626 -3.299
59 2HG LYS 10 2HG LYS 10 3.689 -0.118 -4.625
60 1HD LYS 10 1HD LYS 10 1.577 -1.094 -5.498
61 2HD LYS 10 2HD LYS 10 0.689 -0.432 -4.142
62 1HE LYS 10 1HE LYS 10 0.721 1.725 -4.985
63 2HE LYS 10 2HE LYS 10 2.321 1.548 -5.681
64 1HZ LYS 10 1HZ LYS 10 1.053 -0.094 -7.224
65 2HZ LYS 10 2HZ LYS 10 -0.245 0.805 -6.803
66 3HZ LYS 10 3HZ LYS 10 1.039 1.511 -7.524
67 H TYR 11 H TYR 11 2.743 -1.993 0.545
68 HA TYR 11 HA TYR 11 0.581 -0.220 0.803
69 1HB TYR 11 1HB TYR 11 0.941 -2.435 1.981
70 2HB TYR 11 2HB TYR 11 2.345 -1.777 2.795
71 HD1 TYR 11 HD1 TYR 11 -1.129 -0.438 2.283
72 HD2 TYR 11 HD2 TYR 11 1.905 -1.601 5.065
73 HE1 TYR 11 HE1 TYR 11 -2.597 0.324 4.213
74 HE2 TYR 11 HE2 TYR 11 0.427 -0.835 6.987
75 HH TYR 11 HH TYR 11 -2.501 -0.576 7.012
76 H SER 12 H SER 12 0.640 1.946 1.103
77 HA SER 12 HA SER 12 2.597 2.939 2.985
78 1HB SER 12 1HB SER 12 2.861 3.285 0.164
79 2HB SER 12 2HB SER 12 2.341 4.835 0.795
80 HG SER 12 HG SER 12 4.465 5.027 1.171
81 H CYS 13 H CYS 13 0.517 2.951 4.255
82 HA CYS 13 HA CYS 13 -0.799 5.492 3.856
83 1HB CYS 13 1HB CYS 13 -2.270 4.119 2.589
84 2HB CYS 13 2HB CYS 13 -2.269 2.857 3.805
No H/Q in entry = 84
Start of MODEL 4
1 H1 ILE 1 H1 ILE 1 0.808 6.140 -3.706
2 H2 ILE 1 H2 ILE 1 1.973 6.948 -2.850
3 H3 ILE 1 H3 ILE 1 2.343 5.527 -3.616
4 HA ILE 1 HA ILE 1 2.144 4.799 -1.525
5 HB ILE 1 HB ILE 1 0.120 5.717 -0.144
6 1HG1 ILE 1 1HG1 ILE 1 0.511 8.113 -1.945
7 2HG1 ILE 1 2HG1 ILE 1 -0.704 6.877 -2.354
8 1HG2 ILE 1 1HG2 ILE 1 2.828 6.466 -0.467
9 2HG2 ILE 1 2HG2 ILE 1 1.916 7.993 -0.400
10 3HG2 ILE 1 3HG2 ILE 1 1.776 6.814 0.926
11 1HD1 ILE 1 1HD1 ILE 1 -1.464 7.149 0.137
12 2HD1 ILE 1 2HD1 ILE 1 -0.569 8.687 0.067
13 3HD1 ILE 1 3HD1 ILE 1 -1.931 8.398 -1.042
14 H CYS 2 H CYS 2 0.164 3.586 -0.312
15 HA CYS 2 HA CYS 2 -1.954 2.864 -2.067
16 1HB CYS 2 1HB CYS 2 0.040 1.588 -2.975
17 2HB CYS 2 2HB CYS 2 0.054 0.689 -1.471
18 H CYS 3 H CYS 3 -3.566 2.885 -0.535
19 HA CYS 3 HA CYS 3 -2.882 2.023 2.154
20 1HB CYS 3 1HB CYS 3 -4.070 4.212 1.647
21 2HB CYS 3 2HB CYS 3 -5.475 3.255 1.220
22 H ASN 4 H ASN 4 -2.677 -0.249 1.045
23 HA ASN 4 HA ASN 4 -5.174 -1.568 1.520
24 1HB ASN 4 1HB ASN 4 -4.373 -0.977 -1.159
25 2HB ASN 4 2HB ASN 4 -4.009 -2.677 -0.933
26 2HD2 ASN 4 1HD2 ASN 4 -5.562 -4.048 -1.324
27 1HD2 ASN 4 2HD2 ASN 4 -7.268 -3.749 -1.278
28 HA PRO 5 HA PRO 5 -2.234 -4.540 2.850
29 1HB PRO 5 1HB PRO 5 -3.752 -6.810 2.978
30 2HB PRO 5 2HB PRO 5 -3.767 -5.574 4.221
31 1HG PRO 5 2HG PRO 5 -5.971 -5.229 3.635
32 2HG PRO 5 1HG PRO 5 -5.799 -6.146 2.151
33 1HD PRO 5 1HD PRO 5 -5.724 -4.169 0.981
34 2HD PRO 5 2HD PRO 5 -5.781 -3.254 2.475
35 H ALA 6 H ALA 6 -4.022 -5.241 -0.043
36 HA ALA 6 HA ALA 6 -2.351 -7.366 -0.862
37 1HB ALA 6 3HB ALA 6 -4.539 -7.210 -1.793
38 2HB ALA 6 1HB ALA 6 -4.303 -5.509 -2.260
39 3HB ALA 6 2HB ALA 6 -3.428 -6.798 -3.121
40 H CYS 7 H CYS 7 -1.763 -4.038 -0.447
41 HA CYS 7 HA CYS 7 -0.125 -3.636 -2.727
42 1HB CYS 7 1HB CYS 7 -0.150 -2.095 -0.124
43 2HB CYS 7 2HB CYS 7 0.536 -1.568 -1.649
44 H GLY 8 H GLY 8 0.211 -4.977 0.545
45 1HA GLY 8 1HA GLY 8 1.957 -5.842 1.673
46 2HA GLY 8 2HA GLY 8 2.504 -6.396 0.104
47 HA PRO 9 HA PRO 9 5.899 -3.738 0.730
48 1HB PRO 9 1HB PRO 9 7.182 -4.136 -1.650
49 2HB PRO 9 2HB PRO 9 7.338 -5.223 -0.284
50 1HG PRO 9 2HG PRO 9 6.310 -6.801 -1.617
51 2HG PRO 9 1HG PRO 9 5.798 -5.593 -2.780
52 1HD PRO 9 1HD PRO 9 3.674 -5.710 -1.911
53 2HD PRO 9 2HD PRO 9 4.214 -6.829 -0.675
54 H LYS 10 H LYS 10 3.283 -3.067 -0.980
55 HA LYS 10 HA LYS 10 4.462 -0.559 -1.959
56 1HB LYS 10 1HB LYS 10 3.575 -2.155 -3.705
57 2HB LYS 10 2HB LYS 10 1.979 -1.931 -3.020
58 1HG LYS 10 1HG LYS 10 2.743 0.689 -3.285
59 2HG LYS 10 2HG LYS 10 3.654 -0.021 -4.604
60 1HD LYS 10 1HD LYS 10 0.991 -1.151 -4.641
61 2HD LYS 10 2HD LYS 10 0.841 0.591 -4.511
62 1HE LYS 10 1HE LYS 10 2.849 0.345 -6.418
63 2HE LYS 10 2HE LYS 10 1.854 -1.054 -6.772
64 1HZ LYS 10 1HZ LYS 10 0.066 0.926 -6.379
65 2HZ LYS 10 2HZ LYS 10 1.275 1.690 -7.164
66 3HZ LYS 10 3HZ LYS 10 0.571 0.377 -7.831
67 H TYR 11 H TYR 11 2.728 -1.951 0.535
68 HA TYR 11 HA TYR 11 0.564 -0.185 0.815
69 1HB TYR 11 1HB TYR 11 0.938 -2.407 1.977
70 2HB TYR 11 2HB TYR 11 2.343 -1.746 2.791
71 HD1 TYR 11 HD1 TYR 11 -1.081 -0.296 2.294
72 HD2 TYR 11 HD2 TYR 11 1.852 -1.712 5.069
73 HE1 TYR 11 HE1 TYR 11 -2.546 0.448 4.234
74 HE2 TYR 11 HE2 TYR 11 0.376 -0.963 6.999
75 HH TYR 11 HH TYR 11 -2.208 -0.624 7.260
76 H SER 12 H SER 12 0.621 1.981 1.126
77 HA SER 12 HA SER 12 2.581 2.967 3.006
78 1HB SER 12 1HB SER 12 2.832 3.330 0.186
79 2HB SER 12 2HB SER 12 2.317 4.876 0.831
80 HG SER 12 HG SER 12 4.395 3.487 2.211
81 H CYS 13 H CYS 13 0.507 2.968 4.284
82 HA CYS 13 HA CYS 13 -0.816 5.508 3.903
83 1HB CYS 13 1HB CYS 13 -2.291 4.144 2.634
84 2HB CYS 13 2HB CYS 13 -2.278 2.871 3.838
No H/Q in entry = 84
Start of MODEL 5
1 H1 ILE 1 H1 ILE 1 0.768 6.319 -3.518
2 H2 ILE 1 H2 ILE 1 2.111 6.902 -2.746
3 H3 ILE 1 H3 ILE 1 2.197 5.488 -3.604
4 HA ILE 1 HA ILE 1 2.131 4.808 -1.441
5 HB ILE 1 HB ILE 1 0.144 5.734 -0.023
6 1HG1 ILE 1 1HG1 ILE 1 -0.429 8.089 -0.662
7 2HG1 ILE 1 2HG1 ILE 1 0.435 7.849 -2.199
8 1HG2 ILE 1 1HG2 ILE 1 2.850 6.539 -0.457
9 2HG2 ILE 1 2HG2 ILE 1 1.890 8.020 -0.230
10 3HG2 ILE 1 3HG2 ILE 1 1.870 6.747 1.013
11 1HD1 ILE 1 1HD1 ILE 1 -1.653 5.834 -1.414
12 2HD1 ILE 1 2HD1 ILE 1 -2.197 7.422 -2.004
13 3HD1 ILE 1 3HD1 ILE 1 -1.167 6.396 -3.033
14 H CYS 2 H CYS 2 0.185 3.575 -0.231
15 HA CYS 2 HA CYS 2 -1.974 2.905 -1.963
16 1HB CYS 2 1HB CYS 2 -0.002 1.621 -2.911
17 2HB CYS 2 2HB CYS 2 0.022 0.705 -1.418
18 H CYS 3 H CYS 3 -3.571 2.909 -0.416
19 HA CYS 3 HA CYS 3 -2.862 2.019 2.255
20 1HB CYS 3 1HB CYS 3 -4.048 4.218 1.778
21 2HB CYS 3 2HB CYS 3 -5.463 3.266 1.367
22 H ASN 4 H ASN 4 -2.678 -0.243 1.126
23 HA ASN 4 HA ASN 4 -5.173 -1.557 1.615
24 1HB ASN 4 1HB ASN 4 -4.404 -0.941 -1.068
25 2HB ASN 4 2HB ASN 4 -4.041 -2.644 -0.863
26 2HD2 ASN 4 1HD2 ASN 4 -5.605 -3.822 -1.643
27 1HD2 ASN 4 2HD2 ASN 4 -7.308 -3.585 -1.436
28 HA PRO 5 HA PRO 5 -2.229 -4.555 2.878
29 1HB PRO 5 1HB PRO 5 -3.754 -6.820 2.998
30 2HB PRO 5 2HB PRO 5 -3.751 -5.600 4.255
31 1HG PRO 5 1HG PRO 5 -5.808 -6.141 2.202
32 2HG PRO 5 2HG PRO 5 -5.960 -5.240 3.698
33 1HD PRO 5 1HD PRO 5 -5.739 -4.152 1.053
34 2HD PRO 5 2HD PRO 5 -5.775 -3.253 2.557
35 H ALA 6 H ALA 6 -4.051 -5.216 -0.002
36 HA ALA 6 HA ALA 6 -2.398 -7.338 -0.863
37 1HB ALA 6 3HB ALA 6 -4.641 -7.090 -1.721
38 2HB ALA 6 1HB ALA 6 -4.297 -5.441 -2.295
39 3HB ALA 6 2HB ALA 6 -3.515 -6.837 -3.075
40 H CYS 7 H CYS 7 -1.795 -4.016 -0.420
41 HA CYS 7 HA CYS 7 -0.180 -3.596 -2.713
42 1HB CYS 7 2HB CYS 7 0.493 -1.539 -1.626
43 2HB CYS 7 1HB CYS 7 -0.177 -2.076 -0.099
44 H GLY 8 H GLY 8 0.182 -4.973 0.537
45 1HA GLY 8 1HA GLY 8 1.939 -5.846 1.645
46 2HA GLY 8 2HA GLY 8 2.468 -6.391 0.065
47 HA PRO 9 HA PRO 9 5.877 -3.747 0.673
48 1HB PRO 9 1HB PRO 9 7.130 -4.127 -1.726
49 2HB PRO 9 2HB PRO 9 7.298 -5.226 -0.371
50 1HG PRO 9 1HG PRO 9 5.728 -5.569 -2.853
51 2HG PRO 9 2HG PRO 9 6.252 -6.789 -1.707
52 1HD PRO 9 1HD PRO 9 3.615 -5.688 -1.959
53 2HD PRO 9 2HD PRO 9 4.166 -6.820 -0.740
54 H LYS 10 H LYS 10 3.242 -3.052 -1.000
55 HA LYS 10 HA LYS 10 4.417 -0.540 -1.971
56 1HB LYS 10 1HB LYS 10 3.493 -2.130 -3.712
57 2HB LYS 10 2HB LYS 10 1.908 -1.880 -3.011
58 1HG LYS 10 1HG LYS 10 2.675 0.724 -3.277
59 2HG LYS 10 2HG LYS 10 3.618 0.025 -4.579
60 1HD LYS 10 1HD LYS 10 0.991 -1.135 -4.726
61 2HD LYS 10 2HD LYS 10 0.777 0.590 -4.508
62 1HE LYS 10 1HE LYS 10 2.901 -0.144 -6.466
63 2HE LYS 10 2HE LYS 10 1.286 -0.637 -6.936
64 1HZ LYS 10 1HZ LYS 10 1.167 1.948 -5.919
65 2HZ LYS 10 2HZ LYS 10 2.368 1.899 -7.025
66 3HZ LYS 10 3HZ LYS 10 0.855 1.444 -7.440
67 H TYR 11 H TYR 11 2.709 -1.949 0.531
68 HA TYR 11 HA TYR 11 0.558 -0.173 0.854
69 1HB TYR 11 1HB TYR 11 0.925 -2.411 1.985
70 2HB TYR 11 2HB TYR 11 2.344 -1.773 2.791
71 HD1 TYR 11 HD1 TYR 11 -1.179 -0.526 2.361
72 HD2 TYR 11 HD2 TYR 11 1.984 -1.525 5.064
73 HE1 TYR 11 HE1 TYR 11 -2.617 0.206 4.326
74 HE2 TYR 11 HE2 TYR 11 0.534 -0.790 7.019
75 HH TYR 11 HH TYR 11 -2.611 -0.525 6.930
76 H SER 12 H SER 12 0.634 1.988 1.192
77 HA SER 12 HA SER 12 2.621 2.936 3.064
78 1HB SER 12 1HB SER 12 2.852 3.330 0.249
79 2HB SER 12 2HB SER 12 2.343 4.871 0.910
80 HG SER 12 HG SER 12 4.797 3.601 1.098
81 H CYS 13 H CYS 13 0.550 2.927 4.356
82 HA CYS 13 HA CYS 13 -0.750 5.487 4.030
83 1HB CYS 13 1HB CYS 13 -2.242 4.153 2.743
84 2HB CYS 13 2HB CYS 13 -2.241 2.866 3.932
No H/Q in entry = 84
Start of MODEL 6
1 H1 ILE 1 H1 ILE 1 0.727 6.347 -3.482
2 H2 ILE 1 H2 ILE 1 2.081 6.914 -2.716
3 H3 ILE 1 H3 ILE 1 2.147 5.500 -3.576
4 HA ILE 1 HA ILE 1 2.088 4.836 -1.401
5 HB ILE 1 HB ILE 1 0.073 5.756 -0.008
6 1HG1 ILE 1 1HG1 ILE 1 -0.487 8.110 -0.653
7 2HG1 ILE 1 2HG1 ILE 1 0.408 7.876 -2.174
8 1HG2 ILE 1 1HG2 ILE 1 2.789 6.593 -0.436
9 2HG2 ILE 1 2HG2 ILE 1 1.799 8.043 -0.141
10 3HG2 ILE 1 3HG2 ILE 1 1.814 6.719 1.048
11 1HD1 ILE 1 1HD1 ILE 1 -1.627 5.796 -1.513
12 2HD1 ILE 1 2HD1 ILE 1 -2.260 7.406 -1.929
13 3HD1 ILE 1 3HD1 ILE 1 -1.218 6.535 -3.081
14 H CYS 2 H CYS 2 0.168 3.571 -0.207
15 HA CYS 2 HA CYS 2 -1.985 2.885 -1.945
16 1HB CYS 2 1HB CYS 2 0.003 1.619 -2.881
17 2HB CYS 2 2HB CYS 2 0.029 0.705 -1.386
18 H CYS 3 H CYS 3 -3.576 2.914 -0.390
19 HA CYS 3 HA CYS 3 -2.874 2.016 2.280
20 1HB CYS 3 1HB CYS 3 -4.061 4.210 1.809
21 2HB CYS 3 2HB CYS 3 -5.471 3.264 1.378
22 H ASN 4 H ASN 4 -2.682 -0.246 1.146
23 HA ASN 4 HA ASN 4 -5.172 -1.568 1.636
24 1HB ASN 4 1HB ASN 4 -4.406 -0.946 -1.048
25 2HB ASN 4 2HB ASN 4 -4.043 -2.648 -0.846
26 2HD2 ASN 4 1HD2 ASN 4 -5.755 -2.792 -2.486
27 1HD2 ASN 4 2HD2 ASN 4 -7.406 -2.916 -1.977
28 HA PRO 5 HA PRO 5 -2.218 -4.557 2.891
29 1HB PRO 5 1HB PRO 5 -3.735 -6.827 3.012
30 2HB PRO 5 2HB PRO 5 -3.734 -5.606 4.271
31 1HG PRO 5 2HG PRO 5 -5.944 -5.253 3.718
32 2HG PRO 5 1HG PRO 5 -5.793 -6.152 2.222
33 1HD PRO 5 1HD PRO 5 -5.733 -4.162 1.074
34 2HD PRO 5 2HD PRO 5 -5.767 -3.264 2.578
35 H ALA 6 H ALA 6 -4.046 -5.225 0.016
36 HA ALA 6 HA ALA 6 -2.388 -7.340 -0.851
37 1HB ALA 6 1HB ALA 6 -4.718 -5.867 -1.733
38 2HB ALA 6 2HB ALA 6 -3.567 -6.040 -3.080
39 3HB ALA 6 3HB ALA 6 -4.159 -7.484 -2.225
40 H CYS 7 H CYS 7 -1.786 -4.022 -0.400
41 HA CYS 7 HA CYS 7 -0.191 -3.581 -2.701
42 1HB CYS 7 1HB CYS 7 -0.155 -2.095 -0.067
43 2HB CYS 7 2HB CYS 7 0.501 -1.540 -1.594
44 H GLY 8 H GLY 8 0.214 -4.967 0.549
45 1HA GLY 8 1HA GLY 8 1.978 -5.868 1.618
46 2HA GLY 8 2HA GLY 8 2.489 -6.395 0.027
47 HA PRO 9 HA PRO 9 5.907 -3.762 0.630
48 1HB PRO 9 1HB PRO 9 7.137 -4.120 -1.785
49 2HB PRO 9 2HB PRO 9 7.317 -5.233 -0.443
50 1HG PRO 9 2HG PRO 9 6.256 -6.780 -1.784
51 2HG PRO 9 1HG PRO 9 5.724 -5.550 -2.912
52 1HD PRO 9 1HD PRO 9 3.618 -5.675 -1.999
53 2HD PRO 9 2HD PRO 9 4.180 -6.820 -0.796
54 H LYS 10 H LYS 10 3.257 -3.049 -1.013
55 HA LYS 10 HA LYS 10 4.426 -0.527 -1.966
56 1HB LYS 10 1HB LYS 10 3.506 -2.077 -3.729
57 2HB LYS 10 2HB LYS 10 1.923 -1.882 -3.006
58 1HG LYS 10 1HG LYS 10 2.656 0.749 -3.223
59 2HG LYS 10 2HG LYS 10 3.551 0.082 -4.573
60 1HD LYS 10 1HD LYS 10 1.246 -1.136 -5.126
61 2HD LYS 10 2HD LYS 10 0.559 0.125 -4.122
62 1HE LYS 10 1HE LYS 10 0.526 1.343 -6.064
63 2HE LYS 10 2HE LYS 10 2.216 1.634 -5.708
64 1HZ LYS 10 1HZ LYS 10 1.243 -0.618 -7.324
65 2HZ LYS 10 2HZ LYS 10 1.831 0.775 -7.940
66 3HZ LYS 10 3HZ LYS 10 2.804 -0.210 -7.075
67 H TYR 11 H TYR 11 2.735 -1.963 0.533
68 HA TYR 11 HA TYR 11 0.575 -0.216 0.893
69 1HB TYR 11 1HB TYR 11 1.018 -2.447 2.024
70 2HB TYR 11 2HB TYR 11 2.422 -1.761 2.818
71 HD1 TYR 11 HD1 TYR 11 1.896 0.433 4.270
72 HD2 TYR 11 HD2 TYR 11 -0.967 -2.568 3.222
73 HE1 TYR 11 HE1 TYR 11 0.438 1.129 6.234
74 HE2 TYR 11 HE2 TYR 11 -2.417 -1.862 5.188
75 HH TYR 11 HH TYR 11 -2.072 0.998 6.745
76 H SER 12 H SER 12 0.622 1.950 1.209
77 HA SER 12 HA SER 12 2.614 2.943 3.052
78 1HB SER 12 1HB SER 12 2.834 3.306 0.240
79 2HB SER 12 2HB SER 12 2.270 4.843 0.865
80 HG SER 12 HG SER 12 4.594 3.379 1.791
81 H CYS 13 H CYS 13 0.563 2.919 4.370
82 HA CYS 13 HA CYS 13 -0.786 5.451 4.031
83 1HB CYS 13 1HB CYS 13 -2.273 4.081 2.781
84 2HB CYS 13 2HB CYS 13 -2.230 2.804 3.980
No H/Q in entry = 84
Start of MODEL 7
1 H1 ILE 1 H1 ILE 1 1.601 5.999 -3.475
2 H2 ILE 1 H2 ILE 1 2.866 6.636 -2.616
3 H3 ILE 1 H3 ILE 1 2.972 5.103 -3.234
4 HA ILE 1 HA ILE 1 2.532 4.635 -1.105
5 HB ILE 1 HB ILE 1 0.777 6.033 0.135
6 1HG1 ILE 1 1HG1 ILE 1 0.557 8.375 -0.856
7 2HG1 ILE 1 2HG1 ILE 1 1.192 7.700 -2.376
8 1HG2 ILE 1 1HG2 ILE 1 3.521 6.358 -0.268
9 2HG2 ILE 1 2HG2 ILE 1 2.863 7.988 -0.546
10 3HG2 ILE 1 3HG2 ILE 1 2.549 7.152 0.994
11 1HD1 ILE 1 1HD1 ILE 1 -0.972 6.084 -1.187
12 2HD1 ILE 1 2HD1 ILE 1 -1.478 7.732 -1.630
13 3HD1 ILE 1 3HD1 ILE 1 -0.767 6.659 -2.859
14 H CYS 2 H CYS 2 0.620 3.537 -0.053
15 HA CYS 2 HA CYS 2 -1.654 3.229 -1.805
16 1HB CYS 2 1HB CYS 2 0.118 1.583 -2.560
17 2HB CYS 2 2HB CYS 2 -0.062 0.790 -1.007
18 H CYS 3 H CYS 3 -3.374 1.861 -0.634
19 HA CYS 3 HA CYS 3 -2.909 1.775 2.241
20 1HB CYS 3 1HB CYS 3 -4.121 3.932 1.360
21 2HB CYS 3 2HB CYS 3 -5.509 2.870 1.233
22 H ASN 4 H ASN 4 -2.658 -0.552 1.312
23 HA ASN 4 HA ASN 4 -5.105 -1.877 1.786
24 1HB ASN 4 1HB ASN 4 -4.530 -1.231 -0.933
25 2HB ASN 4 2HB ASN 4 -4.117 -2.926 -0.772
26 2HD2 ASN 4 1HD2 ASN 4 -6.079 -2.480 -2.404
27 1HD2 ASN 4 2HD2 ASN 4 -7.638 -2.860 -1.752
28 HA PRO 5 HA PRO 5 -2.111 -4.926 2.773
29 1HB PRO 5 1HB PRO 5 -3.541 -7.253 2.672
30 2HB PRO 5 2HB PRO 5 -3.609 -6.144 4.028
31 1HG PRO 5 1HG PRO 5 -5.609 -6.591 1.897
32 2HG PRO 5 2HG PRO 5 -5.823 -5.827 3.460
33 1HD PRO 5 1HD PRO 5 -5.606 -4.510 0.922
34 2HD PRO 5 2HD PRO 5 -5.702 -3.744 2.495
35 H ALA 6 H ALA 6 -3.899 -5.507 -0.161
36 HA ALA 6 HA ALA 6 -2.131 -7.445 -1.170
37 1HB ALA 6 1HB ALA 6 -4.574 -6.599 -1.855
38 2HB ALA 6 3HB ALA 6 -3.485 -7.364 -3.037
39 3HB ALA 6 2HB ALA 6 -3.638 -5.591 -2.984
40 H CYS 7 H CYS 7 -1.852 -4.021 -0.663
41 HA CYS 7 HA CYS 7 -0.158 -3.425 -2.820
42 1HB CYS 7 1HB CYS 7 -0.298 -2.059 -0.126
43 2HB CYS 7 2HB CYS 7 0.376 -1.397 -1.603
44 H GLY 8 H GLY 8 0.234 -4.911 0.390
45 1HA GLY 8 1HA GLY 8 2.024 -5.725 1.489
46 2HA GLY 8 2HA GLY 8 2.587 -6.204 -0.101
47 HA PRO 9 HA PRO 9 5.866 -3.422 0.598
48 1HB PRO 9 1HB PRO 9 7.149 -3.682 -1.801
49 2HB PRO 9 2HB PRO 9 7.361 -4.806 -0.473
50 1HG PRO 9 1HG PRO 9 5.823 -5.159 -2.973
51 2HG PRO 9 2HG PRO 9 6.395 -6.381 -1.856
52 1HD PRO 9 1HD PRO 9 3.712 -5.398 -2.097
53 2HD PRO 9 2HD PRO 9 4.308 -6.534 -0.903
54 H LYS 10 H LYS 10 3.207 -2.799 -1.053
55 HA LYS 10 HA LYS 10 4.278 -0.236 -2.011
56 1HB LYS 10 1HB LYS 10 3.361 -1.764 -3.763
57 2HB LYS 10 2HB LYS 10 1.801 -1.701 -2.968
58 1HG LYS 10 1HG LYS 10 2.485 1.002 -3.179
59 2HG LYS 10 2HG LYS 10 3.130 0.330 -4.663
60 1HD LYS 10 1HD LYS 10 0.327 -0.427 -3.803
61 2HD LYS 10 2HD LYS 10 0.597 1.141 -4.538
62 1HE LYS 10 1HE LYS 10 1.398 0.177 -6.585
63 2HE LYS 10 2HE LYS 10 1.656 -1.392 -5.848
64 1HZ LYS 10 1HZ LYS 10 -1.017 -0.212 -5.980
65 2HZ LYS 10 2HZ LYS 10 -0.408 -1.071 -7.229
66 3HZ LYS 10 3HZ LYS 10 -0.611 -1.780 -5.770
67 H TYR 11 H TYR 11 2.604 -1.758 0.492
68 HA TYR 11 HA TYR 11 0.498 0.067 0.913
69 1HB TYR 11 1HB TYR 11 0.817 -2.269 1.888
70 2HB TYR 11 2HB TYR 11 2.211 -1.693 2.779
71 HD1 TYR 11 HD1 TYR 11 -0.999 0.145 2.349
72 HD2 TYR 11 HD2 TYR 11 1.485 -2.113 5.000
73 HE1 TYR 11 HE1 TYR 11 -2.503 0.770 4.303
74 HE2 TYR 11 HE2 TYR 11 -0.026 -1.481 6.944
75 HH TYR 11 HH TYR 11 -2.607 0.856 6.535
76 H SER 12 H SER 12 0.655 2.195 1.400
77 HA SER 12 HA SER 12 2.534 2.957 3.420
78 1HB SER 12 1HB SER 12 3.230 3.299 0.692
79 2HB SER 12 2HB SER 12 2.731 4.888 1.235
80 HG SER 12 HG SER 12 4.837 4.873 1.841
81 H CYS 13 H CYS 13 0.170 3.039 4.260
82 HA CYS 13 HA CYS 13 -0.720 5.771 3.957
83 1HB CYS 13 1HB CYS 13 -2.107 4.909 2.299
84 2HB CYS 13 2HB CYS 13 -2.361 3.395 3.143
No H/Q in entry = 84
Start of MODEL 8
1 H1 ILE 1 H1 ILE 1 0.917 6.033 -3.812
2 H2 ILE 1 H2 ILE 1 2.054 6.871 -2.947
3 H3 ILE 1 H3 ILE 1 2.455 5.436 -3.670
4 HA ILE 1 HA ILE 1 2.205 4.727 -1.587
5 HB ILE 1 HB ILE 1 0.193 5.702 -0.232
6 1HG1 ILE 1 1HG1 ILE 1 0.629 8.020 -2.137
7 2HG1 ILE 1 2HG1 ILE 1 -0.662 6.826 -2.413
8 1HG2 ILE 1 1HG2 ILE 1 2.915 6.418 -0.572
9 2HG2 ILE 1 2HG2 ILE 1 2.011 7.950 -0.501
10 3HG2 ILE 1 3HG2 ILE 1 1.872 6.774 0.827
11 1HD1 ILE 1 1HD1 ILE 1 -0.554 7.769 0.373
12 2HD1 ILE 1 2HD1 ILE 1 -0.855 9.082 -0.791
13 3HD1 ILE 1 3HD1 ILE 1 -1.939 7.671 -0.742
14 H CYS 2 H CYS 2 0.272 3.497 -0.395
15 HA CYS 2 HA CYS 2 -1.877 2.811 -2.144
16 1HB CYS 2 1HB CYS 2 0.106 1.499 -3.026
17 2HB CYS 2 2HB CYS 2 0.100 0.617 -1.513
18 H CYS 3 H CYS 3 -3.503 2.853 -0.628
19 HA CYS 3 HA CYS 3 -2.843 2.028 2.078
20 1HB CYS 3 1HB CYS 3 -4.020 4.213 1.527
21 2HB CYS 3 2HB CYS 3 -5.425 3.254 1.107
22 H ASN 4 H ASN 4 -2.639 -0.261 1.001
23 HA ASN 4 HA ASN 4 -5.139 -1.566 1.483
24 1HB ASN 4 1HB ASN 4 -4.332 -1.010 -1.202
25 2HB ASN 4 2HB ASN 4 -3.974 -2.707 -0.954
26 2HD2 ASN 4 1HD2 ASN 4 -5.531 -4.078 -1.332
27 1HD2 ASN 4 2HD2 ASN 4 -7.235 -3.773 -1.292
28 HA PRO 5 HA PRO 5 -2.211 -4.531 2.854
29 1HB PRO 5 1HB PRO 5 -3.737 -6.793 3.009
30 2HB PRO 5 2HB PRO 5 -3.750 -5.542 4.237
31 1HG PRO 5 2HG PRO 5 -5.952 -5.198 3.643
32 2HG PRO 5 1HG PRO 5 -5.781 -6.133 2.171
33 1HD PRO 5 1HD PRO 5 -5.698 -4.171 0.976
34 2HD PRO 5 2HD PRO 5 -5.753 -3.237 2.458
35 H ALA 6 H ALA 6 -3.999 -5.263 -0.030
36 HA ALA 6 HA ALA 6 -2.335 -7.403 -0.820
37 1HB ALA 6 1HB ALA 6 -4.713 -6.154 -1.672
38 2HB ALA 6 2HB ALA 6 -3.566 -5.941 -3.017
39 3HB ALA 6 3HB ALA 6 -3.924 -7.573 -2.404
40 H CYS 7 H CYS 7 -1.735 -4.073 -0.447
41 HA CYS 7 HA CYS 7 -0.093 -3.703 -2.729
42 1HB CYS 7 2HB CYS 7 0.575 -1.628 -1.676
43 2HB CYS 7 1HB CYS 7 -0.112 -2.133 -0.145
44 H GLY 8 H GLY 8 0.237 -5.000 0.562
45 1HA GLY 8 1HA GLY 8 1.975 -5.872 1.696
46 2HA GLY 8 2HA GLY 8 2.533 -6.430 0.132
47 HA PRO 9 HA PRO 9 5.920 -3.767 0.781
48 1HB PRO 9 1HB PRO 9 7.231 -4.187 -1.579
49 2HB PRO 9 2HB PRO 9 7.371 -5.260 -0.202
50 1HG PRO 9 2HG PRO 9 6.362 -6.850 -1.533
51 2HG PRO 9 1HG PRO 9 5.862 -5.656 -2.713
52 1HD PRO 9 1HD PRO 9 3.728 -5.766 -1.867
53 2HD PRO 9 2HD PRO 9 4.254 -6.872 -0.615
54 H LYS 10 H LYS 10 3.323 -3.114 -0.967
55 HA LYS 10 HA LYS 10 4.514 -0.618 -1.961
56 1HB LYS 10 1HB LYS 10 3.642 -2.223 -3.699
57 2HB LYS 10 2HB LYS 10 2.040 -2.008 -3.024
58 1HG LYS 10 1HG LYS 10 2.952 0.627 -3.322
59 2HG LYS 10 2HG LYS 10 3.613 -0.181 -4.730
60 1HD LYS 10 1HD LYS 10 1.338 -1.071 -5.287
61 2HD LYS 10 2HD LYS 10 0.678 -0.255 -3.884
62 1HE LYS 10 1HE LYS 10 1.070 1.917 -4.804
63 2HE LYS 10 2HE LYS 10 2.220 1.313 -5.981
64 1HZ LYS 10 1HZ LYS 10 0.121 -0.045 -6.712
65 2HZ LYS 10 2HZ LYS 10 -0.666 1.222 -6.046
66 3HZ LYS 10 3HZ LYS 10 0.395 1.468 -7.262
67 H TYR 11 H TYR 11 2.768 -1.974 0.541
68 HA TYR 11 HA TYR 11 0.603 -0.198 0.784
69 1HB TYR 11 1HB TYR 11 0.951 -2.409 1.970
70 2HB TYR 11 2HB TYR 11 2.358 -1.756 2.785
71 HD1 TYR 11 HD1 TYR 11 -1.214 -0.676 2.294
72 HD2 TYR 11 HD2 TYR 11 2.021 -1.300 5.025
73 HE1 TYR 11 HE1 TYR 11 -2.681 0.098 4.220
74 HE2 TYR 11 HE2 TYR 11 0.541 -0.524 6.942
75 HH TYR 11 HH TYR 11 -2.265 1.146 6.491
76 H SER 12 H SER 12 0.671 1.970 1.074
77 HA SER 12 HA SER 12 2.619 2.963 2.965
78 1HB SER 12 1HB SER 12 2.919 3.287 0.151
79 2HB SER 12 2HB SER 12 2.375 4.842 0.752
80 HG SER 12 HG SER 12 4.227 5.130 1.844
81 H CYS 13 H CYS 13 0.530 2.987 4.220
82 HA CYS 13 HA CYS 13 -0.772 5.531 3.805
83 1HB CYS 13 1HB CYS 13 -2.238 4.159 2.529
84 2HB CYS 13 2HB CYS 13 -2.255 2.904 3.752
No H/Q in entry = 84
Start of MODEL 9
1 H1 ILE 1 H1 ILE 1 0.715 6.160 -3.663
2 H2 ILE 1 H2 ILE 1 1.870 6.987 -2.813
3 H3 ILE 1 H3 ILE 1 2.259 5.566 -3.568
4 HA ILE 1 HA ILE 1 2.064 4.830 -1.486
5 HB ILE 1 HB ILE 1 0.062 5.761 -0.082
6 1HG1 ILE 1 1HG1 ILE 1 0.439 8.119 -1.948
7 2HG1 ILE 1 2HG1 ILE 1 -0.831 6.908 -2.242
8 1HG2 ILE 1 1HG2 ILE 1 2.772 6.570 -0.515
9 2HG2 ILE 1 2HG2 ILE 1 1.804 8.046 -0.284
10 3HG2 ILE 1 3HG2 ILE 1 1.790 6.769 0.955
11 1HD1 ILE 1 1HD1 ILE 1 -1.284 7.342 0.378
12 2HD1 ILE 1 2HD1 ILE 1 -0.576 8.921 -0.037
13 3HD1 ILE 1 3HD1 ILE 1 -2.028 8.345 -0.890
14 H CYS 2 H CYS 2 0.158 3.569 -0.273
15 HA CYS 2 HA CYS 2 -2.012 2.878 -1.987
16 1HB CYS 2 1HB CYS 2 -0.035 1.608 -2.938
17 2HB CYS 2 2HB CYS 2 0.007 0.700 -1.439
18 H CYS 3 H CYS 3 -3.597 2.888 -0.426
19 HA CYS 3 HA CYS 3 -2.867 2.016 2.245
20 1HB CYS 3 1HB CYS 3 -4.079 4.198 1.762
21 2HB CYS 3 2HB CYS 3 -5.484 3.231 1.360
22 H ASN 4 H ASN 4 -2.664 -0.250 1.119
23 HA ASN 4 HA ASN 4 -5.141 -1.590 1.635
24 1HB ASN 4 1HB ASN 4 -4.385 -0.984 -1.059
25 2HB ASN 4 2HB ASN 4 -4.025 -2.685 -0.842
26 2HD2 ASN 4 1HD2 ASN 4 -5.931 -1.958 -2.593
27 1HD2 ASN 4 2HD2 ASN 4 -7.516 -2.380 -2.036
28 HA PRO 5 HA PRO 5 -2.151 -4.541 2.897
29 1HB PRO 5 1HB PRO 5 -3.654 -6.818 3.064
30 2HB PRO 5 2HB PRO 5 -3.645 -5.583 4.307
31 1HG PRO 5 2HG PRO 5 -5.864 -5.249 3.775
32 2HG PRO 5 1HG PRO 5 -5.724 -6.166 2.288
33 1HD PRO 5 1HD PRO 5 -5.689 -4.189 1.116
34 2HD PRO 5 2HD PRO 5 -5.712 -3.273 2.609
35 H ALA 6 H ALA 6 -4.003 -5.246 0.049
36 HA ALA 6 HA ALA 6 -2.348 -7.366 -0.812
37 1HB ALA 6 3HB ALA 6 -4.608 -7.128 -1.639
38 2HB ALA 6 1HB ALA 6 -4.265 -5.492 -2.251
39 3HB ALA 6 2HB ALA 6 -3.496 -6.906 -3.010
40 H CYS 7 H CYS 7 -1.760 -4.036 -0.409
41 HA CYS 7 HA CYS 7 -0.172 -3.632 -2.725
42 1HB CYS 7 2HB CYS 7 0.502 -1.560 -1.667
43 2HB CYS 7 1HB CYS 7 -0.150 -2.085 -0.128
44 H GLY 8 H GLY 8 0.236 -4.963 0.542
45 1HA GLY 8 1HA GLY 8 2.004 -5.832 1.631
46 2HA GLY 8 2HA GLY 8 2.536 -6.366 0.048
47 HA PRO 9 HA PRO 9 5.911 -3.679 0.665
48 1HB PRO 9 1HB PRO 9 7.178 -4.055 -1.727
49 2HB PRO 9 2HB PRO 9 7.355 -5.146 -0.367
50 1HG PRO 9 2HG PRO 9 6.334 -6.728 -1.698
51 2HG PRO 9 1HG PRO 9 5.800 -5.522 -2.852
52 1HD PRO 9 1HD PRO 9 3.684 -5.664 -1.965
53 2HD PRO 9 2HD PRO 9 4.245 -6.782 -0.738
54 H LYS 10 H LYS 10 3.272 -3.028 -1.021
55 HA LYS 10 HA LYS 10 4.419 -0.508 -2.008
56 1HB LYS 10 1HB LYS 10 3.519 -2.106 -3.744
57 2HB LYS 10 2HB LYS 10 1.932 -1.899 -3.035
58 1HG LYS 10 1HG LYS 10 2.643 0.727 -3.303
59 2HG LYS 10 2HG LYS 10 3.573 0.044 -4.622
60 1HD LYS 10 1HD LYS 10 1.053 -1.210 -4.842
61 2HD LYS 10 2HD LYS 10 0.668 0.443 -4.407
62 1HE LYS 10 1HE LYS 10 0.982 0.983 -6.592
63 2HE LYS 10 2HE LYS 10 2.697 0.746 -6.324
64 1HZ LYS 10 1HZ LYS 10 0.961 -1.523 -6.938
65 2HZ LYS 10 2HZ LYS 10 1.575 -0.592 -8.131
66 3HZ LYS 10 3HZ LYS 10 2.578 -1.399 -7.126
67 H TYR 11 H TYR 11 2.738 -1.912 0.511
68 HA TYR 11 HA TYR 11 0.566 -0.158 0.824
69 1HB TYR 11 1HB TYR 11 0.952 -2.380 1.974
70 2HB TYR 11 2HB TYR 11 2.375 -1.728 2.763
71 HD1 TYR 11 HD1 TYR 11 -1.210 -0.653 2.371
72 HD2 TYR 11 HD2 TYR 11 2.085 -1.313 5.019
73 HE1 TYR 11 HE1 TYR 11 -2.635 0.086 4.343
74 HE2 TYR 11 HE2 TYR 11 0.649 -0.571 6.981
75 HH TYR 11 HH TYR 11 -2.604 0.693 6.455
76 H SER 12 H SER 12 0.615 2.005 1.150
77 HA SER 12 HA SER 12 2.600 2.991 3.005
78 1HB SER 12 1HB SER 12 2.830 3.358 0.192
79 2HB SER 12 2HB SER 12 2.276 4.896 0.822
80 HG SER 12 HG SER 12 4.559 4.862 0.891
81 H CYS 13 H CYS 13 0.550 2.977 4.317
82 HA CYS 13 HA CYS 13 -0.793 5.511 3.971
83 1HB CYS 13 1HB CYS 13 -2.279 4.140 2.718
84 2HB CYS 13 2HB CYS 13 -2.246 2.868 3.924
No H/Q in entry = 84
Start of MODEL 10
1 H1 ILE 1 H1 ILE 1 0.873 6.257 -3.634
2 H2 ILE 1 H2 ILE 1 2.211 6.845 -2.856
3 H3 ILE 1 H3 ILE 1 2.301 5.421 -3.695
4 HA ILE 1 HA ILE 1 2.212 4.767 -1.526
5 HB ILE 1 HB ILE 1 0.212 5.718 -0.140
6 1HG1 ILE 1 2HG1 ILE 1 0.547 7.815 -2.327
7 2HG1 ILE 1 1HG1 ILE 1 -0.348 8.063 -0.809
8 1HG2 ILE 1 1HG2 ILE 1 2.890 6.305 -0.302
9 2HG2 ILE 1 2HG2 ILE 1 2.167 7.906 -0.592
10 3HG2 ILE 1 3HG2 ILE 1 1.780 7.010 0.897
11 1HD1 ILE 1 1HD1 ILE 1 -1.502 5.752 -1.636
12 2HD1 ILE 1 2HD1 ILE 1 -2.115 7.358 -2.098
13 3HD1 ILE 1 3HD1 ILE 1 -1.072 6.449 -3.217
14 H CYS 2 H CYS 2 0.248 3.557 -0.319
15 HA CYS 2 HA CYS 2 -1.895 2.872 -2.065
16 1HB CYS 2 1HB CYS 2 0.081 1.567 -2.973
17 2HB CYS 2 2HB CYS 2 0.085 0.672 -1.467
18 H CYS 3 H CYS 3 -3.510 2.900 -0.537
19 HA CYS 3 HA CYS 3 -2.834 2.045 2.154
20 1HB CYS 3 1HB CYS 3 -4.008 4.242 1.631
21 2HB CYS 3 2HB CYS 3 -5.420 3.290 1.223
22 H ASN 4 H ASN 4 -2.646 -0.232 1.056
23 HA ASN 4 HA ASN 4 -5.152 -1.530 1.537
24 1HB ASN 4 1HB ASN 4 -4.352 -0.953 -1.145
25 2HB ASN 4 2HB ASN 4 -3.998 -2.654 -0.915
26 2HD2 ASN 4 1HD2 ASN 4 -5.557 -3.926 -1.525
27 1HD2 ASN 4 2HD2 ASN 4 -7.262 -3.648 -1.398
28 HA PRO 5 HA PRO 5 -2.234 -4.522 2.871
29 1HB PRO 5 1HB PRO 5 -3.768 -6.780 3.003
30 2HB PRO 5 2HB PRO 5 -3.775 -5.543 4.245
31 1HG PRO 5 1HG PRO 5 -5.811 -6.104 2.177
32 2HG PRO 5 2HG PRO 5 -5.975 -5.183 3.658
33 1HD PRO 5 1HD PRO 5 -5.722 -4.130 1.002
34 2HD PRO 5 2HD PRO 5 -5.770 -3.211 2.494
35 H ALA 6 H ALA 6 -4.026 -5.215 -0.020
36 HA ALA 6 HA ALA 6 -2.370 -7.352 -0.835
37 1HB ALA 6 1HB ALA 6 -4.780 -6.358 -1.601
38 2HB ALA 6 3HB ALA 6 -3.792 -7.429 -2.623
39 3HB ALA 6 2HB ALA 6 -3.743 -5.668 -2.874
40 H CYS 7 H CYS 7 -1.760 -4.029 -0.426
41 HA CYS 7 HA CYS 7 -0.121 -3.642 -2.709
42 1HB CYS 7 2HB CYS 7 0.550 -1.575 -1.639
43 2HB CYS 7 1HB CYS 7 -0.137 -2.092 -0.112
44 H GLY 8 H GLY 8 0.206 -4.979 0.563
45 1HA GLY 8 1HA GLY 8 1.947 -5.847 1.697
46 2HA GLY 8 2HA GLY 8 2.490 -6.412 0.131
47 HA PRO 9 HA PRO 9 5.903 -3.774 0.739
48 1HB PRO 9 1HB PRO 9 7.179 -4.190 -1.641
49 2HB PRO 9 2HB PRO 9 7.330 -5.273 -0.271
50 1HG PRO 9 2HG PRO 9 6.290 -6.847 -1.598
51 2HG PRO 9 1HG PRO 9 5.783 -5.641 -2.764
52 1HD PRO 9 1HD PRO 9 3.660 -5.740 -1.890
53 2HD PRO 9 2HD PRO 9 4.195 -6.858 -0.651
54 H LYS 10 H LYS 10 3.287 -3.092 -0.970
55 HA LYS 10 HA LYS 10 4.483 -0.596 -1.959
56 1HB LYS 10 1HB LYS 10 3.585 -2.186 -3.700
57 2HB LYS 10 2HB LYS 10 1.991 -1.962 -3.009
58 1HG LYS 10 1HG LYS 10 2.776 0.661 -3.280
59 2HG LYS 10 2HG LYS 10 3.646 -0.064 -4.617
60 1HD LYS 10 1HD LYS 10 1.359 -1.225 -5.194
61 2HD LYS 10 2HD LYS 10 0.648 -0.030 -4.128
62 1HE LYS 10 1HE LYS 10 2.538 1.245 -5.964
63 2HE LYS 10 2HE LYS 10 1.352 0.316 -6.859
64 1HZ LYS 10 1HZ LYS 10 -0.350 1.447 -5.479
65 2HZ LYS 10 2HZ LYS 10 0.819 2.426 -4.892
66 3HZ LYS 10 3HZ LYS 10 0.466 2.440 -6.487
67 H TYR 11 H TYR 11 2.745 -1.966 0.543
68 HA TYR 11 HA TYR 11 0.596 -0.179 0.821
69 1HB TYR 11 1HB TYR 11 0.947 -2.404 1.985
70 2HB TYR 11 2HB TYR 11 2.358 -1.757 2.798
71 HD1 TYR 11 HD1 TYR 11 -1.053 -0.277 2.298
72 HD2 TYR 11 HD2 TYR 11 1.868 -1.712 5.076
73 HE1 TYR 11 HE1 TYR 11 -2.512 0.483 4.237
74 HE2 TYR 11 HE2 TYR 11 0.399 -0.947 7.004
75 HH TYR 11 HH TYR 11 -1.489 -0.084 7.594
76 H SER 12 H SER 12 0.675 1.986 1.131
77 HA SER 12 HA SER 12 2.647 2.953 3.010
78 1HB SER 12 1HB SER 12 2.906 3.309 0.190
79 2HB SER 12 2HB SER 12 2.398 4.860 0.829
80 HG SER 12 HG SER 12 4.621 4.881 1.005
81 H CYS 13 H CYS 13 0.563 2.968 4.281
82 HA CYS 13 HA CYS 13 -0.726 5.527 3.907
83 1HB CYS 13 1HB CYS 13 -2.209 4.180 2.623
84 2HB CYS 13 2HB CYS 13 -2.225 2.910 3.829
No H/Q in entry = 84
Start of MODEL 11
1 H1 ILE 1 H1 ILE 1 0.740 6.306 -3.555
2 H2 ILE 1 H2 ILE 1 2.086 6.901 -2.796
3 H3 ILE 1 H3 ILE 1 2.173 5.482 -3.645
4 HA ILE 1 HA ILE 1 2.125 4.816 -1.478
5 HB ILE 1 HB ILE 1 0.137 5.742 -0.055
6 1HG1 ILE 1 1HG1 ILE 1 -0.452 8.086 -0.702
7 2HG1 ILE 1 2HG1 ILE 1 0.422 7.854 -2.234
8 1HG2 ILE 1 1HG2 ILE 1 2.841 6.541 -0.495
9 2HG2 ILE 1 2HG2 ILE 1 1.885 8.029 -0.290
10 3HG2 ILE 1 3HG2 ILE 1 1.858 6.773 0.971
11 1HD1 ILE 1 1HD1 ILE 1 -1.600 5.771 -1.525
12 2HD1 ILE 1 2HD1 ILE 1 -2.233 7.374 -1.969
13 3HD1 ILE 1 3HD1 ILE 1 -1.199 6.479 -3.108
14 H CYS 2 H CYS 2 0.175 3.596 -0.241
15 HA CYS 2 HA CYS 2 -1.986 2.899 -1.956
16 1HB CYS 2 1HB CYS 2 -0.016 1.619 -2.910
17 2HB CYS 2 2HB CYS 2 0.024 0.711 -1.412
18 H CYS 3 H CYS 3 -3.570 2.908 -0.395
19 HA CYS 3 HA CYS 3 -2.836 2.035 2.276
20 1HB CYS 3 1HB CYS 3 -4.035 4.226 1.795
21 2HB CYS 3 2HB CYS 3 -5.449 3.268 1.402
22 H ASN 4 H ASN 4 -2.654 -0.231 1.152
23 HA ASN 4 HA ASN 4 -5.139 -1.553 1.670
24 1HB ASN 4 1HB ASN 4 -4.392 -0.949 -1.022
25 2HB ASN 4 2HB ASN 4 -4.023 -2.649 -0.810
26 2HD2 ASN 4 1HD2 ASN 4 -5.875 -2.193 -2.564
27 1HD2 ASN 4 2HD2 ASN 4 -7.478 -2.530 -2.001
28 HA PRO 5 HA PRO 5 -2.176 -4.531 2.929
29 1HB PRO 5 1HB PRO 5 -3.692 -6.801 3.076
30 2HB PRO 5 2HB PRO 5 -3.683 -5.571 4.325
31 1HG PRO 5 2HG PRO 5 -5.896 -5.223 3.784
32 2HG PRO 5 1HG PRO 5 -5.754 -6.133 2.293
33 1HD PRO 5 1HD PRO 5 -5.702 -4.151 1.131
34 2HD PRO 5 2HD PRO 5 -5.727 -3.242 2.629
35 H ALA 6 H ALA 6 -4.019 -5.217 0.068
36 HA ALA 6 HA ALA 6 -2.366 -7.338 -0.793
37 1HB ALA 6 3HB ALA 6 -4.602 -7.130 -1.650
38 2HB ALA 6 1HB ALA 6 -4.305 -5.462 -2.195
39 3HB ALA 6 2HB ALA 6 -3.496 -6.822 -3.010
40 H CYS 7 H CYS 7 -1.769 -4.013 -0.375
41 HA CYS 7 HA CYS 7 -0.175 -3.602 -2.685
42 1HB CYS 7 2HB CYS 7 0.503 -1.537 -1.615
43 2HB CYS 7 1HB CYS 7 -0.155 -2.066 -0.080
44 H GLY 8 H GLY 8 0.220 -4.957 0.572
45 1HA GLY 8 1HA GLY 8 1.987 -5.821 1.668
46 2HA GLY 8 2HA GLY 8 2.507 -6.370 0.088
47 HA PRO 9 HA PRO 9 5.909 -3.711 0.659
48 1HB PRO 9 1HB PRO 9 7.147 -4.098 -1.746
49 2HB PRO 9 2HB PRO 9 7.330 -5.190 -0.387
50 1HG PRO 9 1HG PRO 9 5.744 -5.552 -2.856
51 2HG PRO 9 2HG PRO 9 6.279 -6.763 -1.708
52 1HD PRO 9 1HD PRO 9 3.637 -5.674 -1.946
53 2HD PRO 9 2HD PRO 9 4.201 -6.798 -0.726
54 H LYS 10 H LYS 10 3.260 -3.036 -1.000
55 HA LYS 10 HA LYS 10 4.419 -0.524 -1.992
56 1HB LYS 10 1HB LYS 10 3.508 -2.098 -3.733
57 2HB LYS 10 2HB LYS 10 1.924 -1.911 -3.007
58 1HG LYS 10 1HG LYS 10 2.673 0.730 -3.263
59 2HG LYS 10 2HG LYS 10 3.505 0.027 -4.636
60 1HD LYS 10 1HD LYS 10 1.203 -1.155 -5.137
61 2HD LYS 10 2HD LYS 10 0.526 0.042 -4.049
62 1HE LYS 10 1HE LYS 10 0.344 1.223 -6.039
63 2HE LYS 10 2HE LYS 10 1.950 1.741 -5.564
64 1HZ LYS 10 1HZ LYS 10 2.429 -0.548 -6.867
65 2HZ LYS 10 2HZ LYS 10 1.170 0.050 -7.718
66 3HZ LYS 10 3HZ LYS 10 2.527 0.940 -7.533
67 H TYR 11 H TYR 11 2.735 -1.926 0.530
68 HA TYR 11 HA TYR 11 0.578 -0.156 0.859
69 1HB TYR 11 1HB TYR 11 0.965 -2.385 2.001
70 2HB TYR 11 2HB TYR 11 2.388 -1.737 2.791
71 HD1 TYR 11 HD1 TYR 11 -1.201 -0.673 2.403
72 HD2 TYR 11 HD2 TYR 11 2.103 -1.311 5.045
73 HE1 TYR 11 HE1 TYR 11 -2.627 0.065 4.375
74 HE2 TYR 11 HE2 TYR 11 0.666 -0.571 7.008
75 HH TYR 11 HH TYR 11 -2.489 -0.524 7.014
76 H SER 12 H SER 12 0.648 2.007 1.183
77 HA SER 12 HA SER 12 2.645 2.975 3.035
78 1HB SER 12 1HB SER 12 2.852 3.353 0.213
79 2HB SER 12 2HB SER 12 2.348 4.897 0.874
80 HG SER 12 HG SER 12 4.812 3.916 0.855
81 H CYS 13 H CYS 13 0.589 2.973 4.345
82 HA CYS 13 HA CYS 13 -0.728 5.521 4.007
83 1HB CYS 13 1HB CYS 13 -2.225 4.169 2.748
84 2HB CYS 13 2HB CYS 13 -2.206 2.892 3.948
No H/Q in entry = 84
Start of MODEL 12
1 H1 ILE 1 H1 ILE 1 1.691 5.711 -3.620
2 H2 ILE 1 H2 ILE 1 2.883 6.469 -2.755
3 H3 ILE 1 H3 ILE 1 3.065 4.885 -3.206
4 HA ILE 1 HA ILE 1 2.477 4.550 -1.109
5 HB ILE 1 HB ILE 1 0.810 6.086 0.018
6 1HG1 ILE 1 1HG1 ILE 1 0.695 8.374 -1.258
7 2HG1 ILE 1 2HG1 ILE 1 1.033 7.390 -2.703
8 1HG2 ILE 1 1HG2 ILE 1 3.505 6.334 -0.333
9 2HG2 ILE 1 2HG2 ILE 1 2.951 7.887 -1.003
10 3HG2 ILE 1 3HG2 ILE 1 2.537 7.442 0.670
11 1HD1 ILE 1 1HD1 ILE 1 -0.967 6.027 -1.172
12 2HD1 ILE 1 2HD1 ILE 1 -1.463 7.731 -1.310
13 3HD1 ILE 1 3HD1 ILE 1 -1.133 6.778 -2.777
14 H CYS 2 H CYS 2 0.756 3.265 -0.237
15 HA CYS 2 HA CYS 2 -1.588 3.058 -1.952
16 1HB CYS 2 1HB CYS 2 0.171 1.368 -2.634
17 2HB CYS 2 2HB CYS 2 -0.045 0.619 -1.065
18 H CYS 3 H CYS 3 -3.321 1.676 -0.769
19 HA CYS 3 HA CYS 3 -2.911 1.694 2.114
20 1HB CYS 3 1HB CYS 3 -4.116 3.822 1.128
21 2HB CYS 3 2HB CYS 3 -5.501 2.752 1.048
22 H ASN 4 H ASN 4 -2.648 -0.658 1.240
23 HA ASN 4 HA ASN 4 -5.100 -1.969 1.726
24 1HB ASN 4 1HB ASN 4 -4.497 -1.395 -1.005
25 2HB ASN 4 2HB ASN 4 -4.096 -3.087 -0.795
26 2HD2 ASN 4 1HD2 ASN 4 -6.581 -0.875 0.491
27 1HD2 ASN 4 2HD2 ASN 4 -7.960 -1.852 0.112
28 HA PRO 5 HA PRO 5 -2.119 -4.997 2.811
29 1HB PRO 5 1HB PRO 5 -3.548 -7.326 2.748
30 2HB PRO 5 2HB PRO 5 -3.630 -6.186 4.078
31 1HG PRO 5 2HG PRO 5 -5.837 -5.883 3.480
32 2HG PRO 5 1HG PRO 5 -5.608 -6.682 1.937
33 1HD PRO 5 1HD PRO 5 -5.594 -4.624 0.914
34 2HD PRO 5 2HD PRO 5 -5.707 -3.823 2.469
35 H ALA 6 H ALA 6 -3.879 -5.651 -0.125
36 HA ALA 6 HA ALA 6 -2.100 -7.609 -1.072
37 1HB ALA 6 1HB ALA 6 -4.482 -6.238 -1.910
38 2HB ALA 6 2HB ALA 6 -3.295 -6.167 -3.234
39 3HB ALA 6 3HB ALA 6 -3.778 -7.741 -2.556
40 H CYS 7 H CYS 7 -1.830 -4.172 -0.648
41 HA CYS 7 HA CYS 7 -0.102 -3.639 -2.798
42 1HB CYS 7 2HB CYS 7 0.403 -1.569 -1.639
43 2HB CYS 7 1HB CYS 7 -0.299 -2.182 -0.154
44 H GLY 8 H GLY 8 0.234 -5.009 0.471
45 1HA GLY 8 1HA GLY 8 2.006 -5.774 1.632
46 2HA GLY 8 2HA GLY 8 2.598 -6.312 0.073
47 HA PRO 9 HA PRO 9 5.860 -3.497 0.721
48 1HB PRO 9 1HB PRO 9 7.183 -3.843 -1.645
49 2HB PRO 9 2HB PRO 9 7.374 -4.918 -0.273
50 1HG PRO 9 1HG PRO 9 5.879 -5.365 -2.784
51 2HG PRO 9 2HG PRO 9 6.435 -6.544 -1.612
52 1HD PRO 9 1HD PRO 9 3.754 -5.577 -1.935
53 2HD PRO 9 2HD PRO 9 4.332 -6.666 -0.690
54 H LYS 10 H LYS 10 3.227 -2.941 -0.996
55 HA LYS 10 HA LYS 10 4.309 -0.415 -2.034
56 1HB LYS 10 1HB LYS 10 3.417 -2.009 -3.739
57 2HB LYS 10 2HB LYS 10 1.847 -1.920 -2.965
58 1HG LYS 10 1HG LYS 10 2.539 0.777 -3.272
59 2HG LYS 10 2HG LYS 10 3.186 0.043 -4.725
60 1HD LYS 10 1HD LYS 10 0.991 -0.951 -5.259
61 2HD LYS 10 2HD LYS 10 0.323 -0.371 -3.745
62 1HE LYS 10 1HE LYS 10 -0.052 1.713 -4.592
63 2HE LYS 10 2HE LYS 10 1.565 1.820 -5.258
64 1HZ LYS 10 1HZ LYS 10 -0.635 0.317 -6.497
65 2HZ LYS 10 2HZ LYS 10 -0.166 1.816 -6.945
66 3HZ LYS 10 3HZ LYS 10 0.851 0.552 -7.134
67 H TYR 11 H TYR 11 2.612 -1.837 0.509
68 HA TYR 11 HA TYR 11 0.506 0.016 0.827
69 1HB TYR 11 1HB TYR 11 0.779 -2.296 1.874
70 2HB TYR 11 2HB TYR 11 2.159 -1.707 2.778
71 HD1 TYR 11 HD1 TYR 11 -1.009 0.166 2.229
72 HD2 TYR 11 HD2 TYR 11 1.370 -2.072 4.991
73 HE1 TYR 11 HE1 TYR 11 -2.547 0.862 4.130
74 HE2 TYR 11 HE2 TYR 11 -0.175 -1.368 6.883
75 HH TYR 11 HH TYR 11 -2.998 -0.503 6.672
76 H SER 12 H SER 12 0.662 2.151 1.283
77 HA SER 12 HA SER 12 2.535 2.945 3.299
78 1HB SER 12 1HB SER 12 3.327 3.176 0.628
79 2HB SER 12 2HB SER 12 2.701 4.774 0.987
80 HG SER 12 HG SER 12 5.044 4.369 1.477
81 H CYS 13 H CYS 13 0.108 3.006 4.055
82 HA CYS 13 HA CYS 13 -0.734 5.754 3.768
83 1HB CYS 13 1HB CYS 13 -2.074 4.948 2.048
84 2HB CYS 13 2HB CYS 13 -2.370 3.416 2.845
No H/Q in entry = 84
Start of MODEL 13
1 H1 ILE 1 H1 ILE 1 0.980 6.219 -3.527
2 H2 ILE 1 H2 ILE 1 2.152 6.983 -2.640
3 H3 ILE 1 H3 ILE 1 2.460 5.506 -3.323
4 HA ILE 1 HA ILE 1 2.085 4.855 -1.243
5 HB ILE 1 HB ILE 1 0.126 6.022 0.037
6 1HG1 ILE 1 1HG1 ILE 1 0.808 8.319 -1.798
7 2HG1 ILE 1 2HG1 ILE 1 -0.483 7.183 -2.256
8 1HG2 ILE 1 1HG2 ILE 1 2.919 6.559 -0.300
9 2HG2 ILE 1 2HG2 ILE 1 2.084 8.123 -0.146
10 3HG2 ILE 1 3HG2 ILE 1 1.900 6.887 1.122
11 1HD1 ILE 1 1HD1 ILE 1 -0.819 7.838 0.518
12 2HD1 ILE 1 2HD1 ILE 1 -0.606 9.357 -0.384
13 3HD1 ILE 1 3HD1 ILE 1 -1.898 8.221 -0.845
14 H CYS 2 H CYS 2 0.523 3.321 -0.379
15 HA CYS 2 HA CYS 2 -1.836 2.960 -2.039
16 1HB CYS 2 1HB CYS 2 0.089 1.595 -2.964
17 2HB CYS 2 2HB CYS 2 0.045 0.666 -1.478
18 H CYS 3 H CYS 3 -3.493 2.937 -0.561
19 HA CYS 3 HA CYS 3 -2.870 2.077 2.141
20 1HB CYS 3 1HB CYS 3 -4.058 4.264 1.579
21 2HB CYS 3 2HB CYS 3 -5.454 3.289 1.164
22 H ASN 4 H ASN 4 -2.639 -0.197 1.038
23 HA ASN 4 HA ASN 4 -5.123 -1.531 1.494
24 1HB ASN 4 1HB ASN 4 -4.350 -0.904 -1.188
25 2HB ASN 4 2HB ASN 4 -3.989 -2.607 -0.984
26 2HD2 ASN 4 1HD2 ASN 4 -5.552 -3.768 -1.794
27 1HD2 ASN 4 2HD2 ASN 4 -7.255 -3.535 -1.580
28 HA PRO 5 HA PRO 5 -2.146 -4.496 2.756
29 1HB PRO 5 1HB PRO 5 -3.656 -6.769 2.902
30 2HB PRO 5 2HB PRO 5 -3.650 -5.541 4.152
31 1HG PRO 5 2HG PRO 5 -5.866 -5.197 3.612
32 2HG PRO 5 1HG PRO 5 -5.721 -6.106 2.121
33 1HD PRO 5 1HD PRO 5 -5.674 -4.123 0.959
34 2HD PRO 5 2HD PRO 5 -5.701 -3.215 2.458
35 H ALA 6 H ALA 6 -3.988 -5.181 -0.104
36 HA ALA 6 HA ALA 6 -2.333 -7.300 -0.969
37 1HB ALA 6 3HB ALA 6 -4.294 -7.381 -2.123
38 2HB ALA 6 1HB ALA 6 -4.550 -5.623 -2.012
39 3HB ALA 6 2HB ALA 6 -3.455 -6.286 -3.248
40 H CYS 7 H CYS 7 -1.734 -3.978 -0.541
41 HA CYS 7 HA CYS 7 -0.135 -3.564 -2.849
42 1HB CYS 7 2HB CYS 7 0.538 -1.499 -1.776
43 2HB CYS 7 1HB CYS 7 -0.123 -2.030 -0.243
44 H GLY 8 H GLY 8 0.252 -4.910 0.415
45 1HA GLY 8 1HA GLY 8 2.005 -5.810 1.499
46 2HA GLY 8 2HA GLY 8 2.565 -6.304 -0.086
47 HA PRO 9 HA PRO 9 5.911 -3.611 0.651
48 1HB PRO 9 1HB PRO 9 7.233 -3.946 -1.717
49 2HB PRO 9 2HB PRO 9 7.388 -5.054 -0.369
50 1HG PRO 9 2HG PRO 9 6.406 -6.623 -1.744
51 2HG PRO 9 1HG PRO 9 5.890 -5.405 -2.892
52 1HD PRO 9 1HD PRO 9 3.756 -5.572 -2.055
53 2HD PRO 9 2HD PRO 9 4.297 -6.704 -0.831
54 H LYS 10 H LYS 10 3.308 -2.953 -1.086
55 HA LYS 10 HA LYS 10 4.462 -0.418 -2.023
56 1HB LYS 10 1HB LYS 10 3.608 -1.957 -3.804
57 2HB LYS 10 2HB LYS 10 2.010 -1.847 -3.092
58 1HG LYS 10 1HG LYS 10 2.776 0.838 -3.297
59 2HG LYS 10 2HG LYS 10 3.472 0.129 -4.741
60 1HD LYS 10 1HD LYS 10 0.613 -0.549 -4.010
61 2HD LYS 10 2HD LYS 10 0.955 1.007 -4.740
62 1HE LYS 10 1HE LYS 10 1.164 0.066 -6.794
63 2HE LYS 10 2HE LYS 10 2.384 -1.050 -6.211
64 1HZ LYS 10 1HZ LYS 10 0.323 -2.226 -5.214
65 2HZ LYS 10 2HZ LYS 10 -0.489 -1.424 -6.382
66 3HZ LYS 10 3HZ LYS 10 0.715 -2.452 -6.783
67 H TYR 11 H TYR 11 2.763 -1.843 0.470
68 HA TYR 11 HA TYR 11 0.587 -0.085 0.772
69 1HB TYR 11 1HB TYR 11 0.939 -2.325 1.895
70 2HB TYR 11 2HB TYR 11 2.359 -1.702 2.709
71 HD1 TYR 11 HD1 TYR 11 -1.046 -0.190 2.274
72 HD2 TYR 11 HD2 TYR 11 1.887 -1.713 4.991
73 HE1 TYR 11 HE1 TYR 11 -2.485 0.532 4.242
74 HE2 TYR 11 HE2 TYR 11 0.439 -0.985 6.950
75 HH TYR 11 HH TYR 11 -2.671 0.644 6.385
76 H SER 12 H SER 12 0.647 2.073 1.134
77 HA SER 12 HA SER 12 2.612 3.015 3.031
78 1HB SER 12 1HB SER 12 3.046 3.351 0.306
79 2HB SER 12 2HB SER 12 2.251 4.854 0.735
80 HG SER 12 HG SER 12 3.959 4.609 2.679
81 H CYS 13 H CYS 13 0.498 2.954 4.277
82 HA CYS 13 HA CYS 13 -0.791 5.525 3.990
83 1HB CYS 13 1HB CYS 13 -2.229 4.174 2.624
84 2HB CYS 13 2HB CYS 13 -2.312 2.918 3.844
No H/Q in entry = 84
Start of MODEL 14
1 H1 ILE 1 H1 ILE 1 0.999 6.190 -3.600
2 H2 ILE 1 H2 ILE 1 2.268 6.837 -2.755
3 H3 ILE 1 H3 ILE 1 2.444 5.383 -3.528
4 HA ILE 1 HA ILE 1 2.196 4.743 -1.392
5 HB ILE 1 HB ILE 1 0.211 5.808 -0.077
6 1HG1 ILE 1 1HG1 ILE 1 0.735 7.994 -2.132
7 2HG1 ILE 1 2HG1 ILE 1 -0.695 6.935 -2.159
8 1HG2 ILE 1 1HG2 ILE 1 2.952 6.391 -0.344
9 2HG2 ILE 1 2HG2 ILE 1 2.143 7.976 -0.387
10 3HG2 ILE 1 3HG2 ILE 1 1.884 6.882 0.994
11 1HD1 ILE 1 1HD1 ILE 1 -0.410 7.918 0.511
12 2HD1 ILE 1 2HD1 ILE 1 -0.246 9.309 -0.588
13 3HD1 ILE 1 3HD1 ILE 1 -1.700 8.284 -0.660
14 H CYS 2 H CYS 2 0.311 3.480 -0.287
15 HA CYS 2 HA CYS 2 -1.881 2.925 -2.053
16 1HB CYS 2 1HB CYS 2 0.067 1.555 -2.923
17 2HB CYS 2 2HB CYS 2 0.017 0.664 -1.416
18 H CYS 3 H CYS 3 -3.585 2.810 -0.635
19 HA CYS 3 HA CYS 3 -2.975 2.054 2.109
20 1HB CYS 3 1HB CYS 3 -4.184 4.220 1.471
21 2HB CYS 3 2HB CYS 3 -5.568 3.212 1.096
22 H ASN 4 H ASN 4 -2.712 -0.245 1.131
23 HA ASN 4 HA ASN 4 -5.176 -1.594 1.571
24 1HB ASN 4 1HB ASN 4 -4.443 -0.989 -1.125
25 2HB ASN 4 2HB ASN 4 -4.045 -2.683 -0.907
26 2HD2 ASN 4 1HD2 ASN 4 -5.836 -2.563 -2.623
27 1HD2 ASN 4 2HD2 ASN 4 -7.457 -2.822 -2.069
28 HA PRO 5 HA PRO 5 -2.170 -4.529 2.830
29 1HB PRO 5 1HB PRO 5 -3.638 -6.831 2.949
30 2HB PRO 5 2HB PRO 5 -3.666 -5.609 4.206
31 1HG PRO 5 2HG PRO 5 -5.884 -5.304 3.645
32 2HG PRO 5 1HG PRO 5 -5.708 -6.202 2.150
33 1HD PRO 5 1HD PRO 5 -5.686 -4.212 1.000
34 2HD PRO 5 2HD PRO 5 -5.745 -3.313 2.503
35 H ALA 6 H ALA 6 -3.981 -5.256 -0.044
36 HA ALA 6 HA ALA 6 -2.269 -7.328 -0.903
37 1HB ALA 6 1HB ALA 6 -4.598 -5.835 -1.846
38 2HB ALA 6 2HB ALA 6 -3.443 -6.157 -3.163
39 3HB ALA 6 3HB ALA 6 -4.099 -7.506 -2.205
40 H CYS 7 H CYS 7 -1.757 -3.990 -0.472
41 HA CYS 7 HA CYS 7 -0.180 -3.502 -2.766
42 1HB CYS 7 1HB CYS 7 -0.142 -2.050 -0.115
43 2HB CYS 7 2HB CYS 7 0.490 -1.464 -1.641
44 H GLY 8 H GLY 8 0.291 -4.900 0.473
45 1HA GLY 8 1HA GLY 8 2.073 -5.813 1.497
46 2HA GLY 8 2HA GLY 8 2.601 -6.274 -0.109
47 HA PRO 9 HA PRO 9 5.942 -3.567 0.596
48 1HB PRO 9 1HB PRO 9 7.206 -3.843 -1.811
49 2HB PRO 9 2HB PRO 9 7.404 -4.977 -0.488
50 1HG PRO 9 2HG PRO 9 6.400 -6.526 -1.872
51 2HG PRO 9 1HG PRO 9 5.845 -5.289 -2.982
52 1HD PRO 9 1HD PRO 9 3.735 -5.490 -2.094
53 2HD PRO 9 2HD PRO 9 4.316 -6.642 -0.908
54 H LYS 10 H LYS 10 3.289 -2.894 -1.058
55 HA LYS 10 HA LYS 10 4.400 -0.332 -1.971
56 1HB LYS 10 1HB LYS 10 3.504 -1.864 -3.752
57 2HB LYS 10 2HB LYS 10 1.922 -1.733 -3.011
58 1HG LYS 10 1HG LYS 10 2.625 0.931 -3.189
59 2HG LYS 10 2HG LYS 10 3.447 0.282 -4.595
60 1HD LYS 10 1HD LYS 10 0.585 -0.549 -4.115
61 2HD LYS 10 2HD LYS 10 0.884 1.071 -4.714
62 1HE LYS 10 1HE LYS 10 1.282 0.287 -6.806
63 2HE LYS 10 2HE LYS 10 2.533 -0.789 -6.212
64 1HZ LYS 10 1HZ LYS 10 0.788 -2.351 -5.607
65 2HZ LYS 10 2HZ LYS 10 -0.350 -1.358 -6.226
66 3HZ LYS 10 3HZ LYS 10 0.770 -2.027 -7.207
67 H TYR 11 H TYR 11 2.739 -1.842 0.511
68 HA TYR 11 HA TYR 11 0.560 -0.123 0.911
69 1HB TYR 11 1HB TYR 11 1.028 -2.376 1.991
70 2HB TYR 11 2HB TYR 11 2.422 -1.692 2.803
71 HD1 TYR 11 HD1 TYR 11 1.879 0.448 4.315
72 HD2 TYR 11 HD2 TYR 11 -0.970 -2.531 3.169
73 HE1 TYR 11 HE1 TYR 11 0.410 1.084 6.289
74 HE2 TYR 11 HE2 TYR 11 -2.430 -1.884 5.147
75 HH TYR 11 HH TYR 11 -1.291 0.391 7.561
76 H SER 12 H SER 12 0.601 2.039 1.254
77 HA SER 12 HA SER 12 2.512 3.013 3.175
78 1HB SER 12 1HB SER 12 2.935 3.354 0.383
79 2HB SER 12 2HB SER 12 2.362 4.906 0.962
80 HG SER 12 HG SER 12 4.725 4.599 1.090
81 H CYS 13 H CYS 13 0.367 3.029 4.339
82 HA CYS 13 HA CYS 13 -0.897 5.590 3.904
83 1HB CYS 13 1HB CYS 13 -2.311 4.239 2.542
84 2HB CYS 13 2HB CYS 13 -2.401 2.978 3.755
No H/Q in entry = 84
Start of MODEL 15
1 H1 ILE 1 H1 ILE 1 0.964 6.033 -3.723
2 H2 ILE 1 H2 ILE 1 2.093 6.868 -2.847
3 H3 ILE 1 H3 ILE 1 2.493 5.421 -3.546
4 HA ILE 1 HA ILE 1 2.195 4.731 -1.465
5 HB ILE 1 HB ILE 1 0.179 5.749 -0.149
6 1HG1 ILE 1 1HG1 ILE 1 0.677 8.045 -2.064
7 2HG1 ILE 1 2HG1 ILE 1 -0.623 6.866 -2.355
8 1HG2 ILE 1 1HG2 ILE 1 2.913 6.405 -0.436
9 2HG2 ILE 1 2HG2 ILE 1 2.050 7.961 -0.431
10 3HG2 ILE 1 3HG2 ILE 1 1.846 6.826 0.925
11 1HD1 ILE 1 1HD1 ILE 1 -0.290 8.343 0.283
12 2HD1 ILE 1 2HD1 ILE 1 -1.300 8.956 -1.048
13 3HD1 ILE 1 3HD1 ILE 1 -1.696 7.403 -0.273
14 H CYS 2 H CYS 2 0.243 3.524 -0.300
15 HA CYS 2 HA CYS 2 -1.900 2.864 -2.067
16 1HB CYS 2 1HB CYS 2 0.073 1.525 -2.928
17 2HB CYS 2 2HB CYS 2 0.042 0.646 -1.411
18 H CYS 3 H CYS 3 -3.576 2.813 -0.612
19 HA CYS 3 HA CYS 3 -2.946 2.054 2.124
20 1HB CYS 3 1HB CYS 3 -4.154 4.216 1.506
21 2HB CYS 3 2HB CYS 3 -5.539 3.218 1.112
22 H ASN 4 H ASN 4 -2.689 -0.249 1.146
23 HA ASN 4 HA ASN 4 -5.155 -1.595 1.609
24 1HB ASN 4 1HB ASN 4 -4.417 -1.016 -1.091
25 2HB ASN 4 2HB ASN 4 -4.021 -2.707 -0.856
26 2HD2 ASN 4 1HD2 ASN 4 -5.882 -2.297 -2.616
27 1HD2 ASN 4 2HD2 ASN 4 -7.478 -2.655 -2.048
28 HA PRO 5 HA PRO 5 -2.147 -4.512 2.904
29 1HB PRO 5 1HB PRO 5 -3.622 -6.808 3.066
30 2HB PRO 5 2HB PRO 5 -3.642 -5.567 4.303
31 1HG PRO 5 1HG PRO 5 -5.693 -6.184 2.267
32 2HG PRO 5 2HG PRO 5 -5.859 -5.264 3.748
33 1HD PRO 5 1HD PRO 5 -5.671 -4.213 1.087
34 2HD PRO 5 2HD PRO 5 -5.720 -3.291 2.576
35 H ALA 6 H ALA 6 -3.971 -5.272 0.048
36 HA ALA 6 HA ALA 6 -2.273 -7.365 -0.788
37 1HB ALA 6 2HB ALA 6 -4.109 -5.526 -2.376
38 2HB ALA 6 3HB ALA 6 -3.449 -7.082 -2.933
39 3HB ALA 6 1HB ALA 6 -4.597 -7.038 -1.574
40 H CYS 7 H CYS 7 -1.743 -4.024 -0.405
41 HA CYS 7 HA CYS 7 -0.170 -3.576 -2.712
42 1HB CYS 7 2HB CYS 7 0.512 -1.525 -1.617
43 2HB CYS 7 1HB CYS 7 -0.119 -2.086 -0.081
44 H GLY 8 H GLY 8 0.302 -4.931 0.545
45 1HA GLY 8 1HA GLY 8 2.082 -5.838 1.577
46 2HA GLY 8 2HA GLY 8 2.605 -6.323 -0.024
47 HA PRO 9 HA PRO 9 5.959 -3.620 0.638
48 1HB PRO 9 1HB PRO 9 7.215 -3.930 -1.769
49 2HB PRO 9 2HB PRO 9 7.411 -5.049 -0.435
50 1HG PRO 9 2HG PRO 9 6.397 -6.611 -1.795
51 2HG PRO 9 1HG PRO 9 5.845 -5.385 -2.919
52 1HD PRO 9 1HD PRO 9 3.736 -5.567 -2.023
53 2HD PRO 9 2HD PRO 9 4.316 -6.707 -0.825
54 H LYS 10 H LYS 10 3.304 -2.957 -1.018
55 HA LYS 10 HA LYS 10 4.422 -0.409 -1.962
56 1HB LYS 10 1HB LYS 10 3.522 -1.957 -3.727
57 2HB LYS 10 2HB LYS 10 1.941 -1.818 -2.985
58 1HG LYS 10 1HG LYS 10 2.641 0.844 -3.191
59 2HG LYS 10 2HG LYS 10 3.467 0.184 -4.589
60 1HD LYS 10 1HD LYS 10 0.584 -0.590 -4.074
61 2HD LYS 10 2HD LYS 10 0.937 0.976 -4.778
62 1HE LYS 10 1HE LYS 10 2.556 -0.716 -6.289
63 2HE LYS 10 2HE LYS 10 1.158 -1.727 -5.986
64 1HZ LYS 10 1HZ LYS 10 -0.198 0.190 -6.741
65 2HZ LYS 10 2HZ LYS 10 1.176 0.933 -7.219
66 3HZ LYS 10 3HZ LYS 10 0.731 -0.479 -7.906
67 H TYR 11 H TYR 11 2.750 -1.890 0.534
68 HA TYR 11 HA TYR 11 0.575 -0.170 0.917
69 1HB TYR 11 1HB TYR 11 1.052 -2.401 2.035
70 2HB TYR 11 2HB TYR 11 2.452 -1.702 2.825
71 HD1 TYR 11 HD1 TYR 11 1.935 0.440 4.324
72 HD2 TYR 11 HD2 TYR 11 -0.953 -2.514 3.211
73 HE1 TYR 11 HE1 TYR 11 0.480 1.108 6.299
74 HE2 TYR 11 HE2 TYR 11 -2.398 -1.836 5.189
75 HH TYR 11 HH TYR 11 -2.661 0.383 6.548
76 H SER 12 H SER 12 0.609 1.998 1.222
77 HA SER 12 HA SER 12 2.532 3.012 3.113
78 1HB SER 12 1HB SER 12 2.896 3.329 0.303
79 2HB SER 12 2HB SER 12 2.347 4.885 0.894
80 HG SER 12 HG SER 12 4.610 3.361 1.868
81 H CYS 13 H CYS 13 0.419 3.044 4.319
82 HA CYS 13 HA CYS 13 -0.884 5.579 3.850
83 1HB CYS 13 1HB CYS 13 -2.316 4.191 2.553
84 2HB CYS 13 2HB CYS 13 -2.354 2.946 3.784
No H/Q in entry = 84
Start of MODEL 16
1 H1 ILE 1 H1 ILE 1 0.951 6.018 -3.758
2 H2 ILE 1 H2 ILE 1 2.291 6.591 -2.974
3 H3 ILE 1 H3 ILE 1 2.344 5.124 -3.738
4 HA ILE 1 HA ILE 1 2.170 4.573 -1.550
5 HB ILE 1 HB ILE 1 0.203 5.687 -0.246
6 1HG1 ILE 1 1HG1 ILE 1 0.730 7.878 -2.283
7 2HG1 ILE 1 2HG1 ILE 1 -0.643 6.755 -2.434
8 1HG2 ILE 1 1HG2 ILE 1 2.925 6.184 -0.465
9 2HG2 ILE 1 2HG2 ILE 1 2.211 7.795 -0.723
10 3HG2 ILE 1 3HG2 ILE 1 1.845 6.887 0.764
11 1HD1 ILE 1 1HD1 ILE 1 -0.256 8.021 0.244
12 2HD1 ILE 1 2HD1 ILE 1 -0.789 9.098 -1.070
13 3HD1 ILE 1 3HD1 ILE 1 -1.758 7.668 -0.646
14 H CYS 2 H CYS 2 0.296 3.349 -0.389
15 HA CYS 2 HA CYS 2 -1.919 2.753 -2.111
16 1HB CYS 2 1HB CYS 2 0.012 1.351 -2.965
17 2HB CYS 2 2HB CYS 2 -0.024 0.502 -1.433
18 H CYS 3 H CYS 3 -3.604 2.696 -0.667
19 HA CYS 3 HA CYS 3 -2.965 2.013 2.089
20 1HB CYS 3 1HB CYS 3 -4.172 4.166 1.404
21 2HB CYS 3 2HB CYS 3 -5.564 3.155 1.073
22 H ASN 4 H ASN 4 -2.724 -0.314 1.171
23 HA ASN 4 HA ASN 4 -5.190 -1.638 1.681
24 1HB ASN 4 1HB ASN 4 -4.487 -1.114 -1.039
25 2HB ASN 4 2HB ASN 4 -4.089 -2.802 -0.777
26 2HD2 ASN 4 1HD2 ASN 4 -5.860 -2.906 -2.426
27 1HD2 ASN 4 2HD2 ASN 4 -7.489 -3.083 -1.862
28 HA PRO 5 HA PRO 5 -2.182 -4.551 2.990
29 1HB PRO 5 1HB PRO 5 -3.659 -6.842 3.187
30 2HB PRO 5 2HB PRO 5 -3.670 -5.587 4.410
31 1HG PRO 5 1HG PRO 5 -5.733 -6.227 2.391
32 2HG PRO 5 2HG PRO 5 -5.891 -5.287 3.862
33 1HD PRO 5 1HD PRO 5 -5.715 -4.270 1.186
34 2HD PRO 5 2HD PRO 5 -5.756 -3.330 2.665
35 H ALA 6 H ALA 6 -4.027 -5.355 0.156
36 HA ALA 6 HA ALA 6 -2.329 -7.455 -0.663
37 1HB ALA 6 3HB ALA 6 -4.450 -7.477 -1.636
38 2HB ALA 6 1HB ALA 6 -4.451 -5.720 -1.922
39 3HB ALA 6 2HB ALA 6 -3.460 -6.788 -2.945
40 H CYS 7 H CYS 7 -1.805 -4.106 -0.331
41 HA CYS 7 HA CYS 7 -0.250 -3.687 -2.654
42 1HB CYS 7 2HB CYS 7 0.438 -1.621 -1.593
43 2HB CYS 7 1HB CYS 7 -0.177 -2.163 -0.043
44 H GLY 8 H GLY 8 0.252 -4.999 0.616
45 1HA GLY 8 1HA GLY 8 2.044 -5.885 1.647
46 2HA GLY 8 2HA GLY 8 2.547 -6.400 0.049
47 HA PRO 9 HA PRO 9 5.912 -3.692 0.619
48 1HB PRO 9 1HB PRO 9 7.136 -4.046 -1.799
49 2HB PRO 9 2HB PRO 9 7.349 -5.141 -0.447
50 1HG PRO 9 2HG PRO 9 6.315 -6.725 -1.768
51 2HG PRO 9 1HG PRO 9 5.749 -5.517 -2.905
52 1HD PRO 9 1HD PRO 9 3.652 -5.681 -1.979
53 2HD PRO 9 2HD PRO 9 4.245 -6.800 -0.769
54 H LYS 10 H LYS 10 3.237 -3.051 -1.010
55 HA LYS 10 HA LYS 10 4.347 -0.522 -2.013
56 1HB LYS 10 1HB LYS 10 3.412 -2.115 -3.732
57 2HB LYS 10 2HB LYS 10 1.841 -1.924 -2.980
58 1HG LYS 10 1HG LYS 10 2.173 0.632 -3.282
59 2HG LYS 10 2HG LYS 10 3.532 0.232 -4.314
60 1HD LYS 10 1HD LYS 10 2.145 -0.873 -5.923
61 2HD LYS 10 2HD LYS 10 0.809 -1.028 -4.799
62 1HE LYS 10 2HE LYS 10 0.980 1.668 -4.794
63 2HE LYS 10 1HE LYS 10 0.025 0.800 -5.979
64 1HZ LYS 10 1HZ LYS 10 2.473 0.788 -7.064
65 2HZ LYS 10 2HZ LYS 10 1.297 1.859 -7.430
66 3HZ LYS 10 3HZ LYS 10 2.446 2.251 -6.338
67 H TYR 11 H TYR 11 2.712 -1.954 0.531
68 HA TYR 11 HA TYR 11 0.544 -0.217 0.910
69 1HB TYR 11 1HB TYR 11 1.020 -2.440 2.048
70 2HB TYR 11 2HB TYR 11 2.426 -1.737 2.822
71 HD1 TYR 11 HD1 TYR 11 1.906 0.449 4.277
72 HD2 TYR 11 HD2 TYR 11 -0.961 -2.557 3.255
73 HE1 TYR 11 HE1 TYR 11 0.462 1.147 6.250
74 HE2 TYR 11 HE2 TYR 11 -2.395 -1.850 5.233
75 HH TYR 11 HH TYR 11 -2.109 0.988 6.742
76 H SER 12 H SER 12 0.597 1.954 1.191
77 HA SER 12 HA SER 12 2.535 2.976 3.059
78 1HB SER 12 1HB SER 12 2.934 3.230 0.257
79 2HB SER 12 2HB SER 12 2.361 4.800 0.786
80 HG SER 12 HG SER 12 4.653 4.707 0.973
81 H CYS 13 H CYS 13 0.407 3.037 4.249
82 HA CYS 13 HA CYS 13 -0.854 5.589 3.753
83 1HB CYS 13 1HB CYS 13 -2.291 4.203 2.451
84 2HB CYS 13 2HB CYS 13 -2.367 2.978 3.702
No H/Q in entry = 84
Start of MODEL 17
1 H1 ILE 1 H1 ILE 1 1.569 6.145 -3.527
2 H2 ILE 1 H2 ILE 1 3.065 6.231 -2.821
3 H3 ILE 1 H3 ILE 1 2.577 4.831 -3.557
4 HA ILE 1 HA ILE 1 2.438 4.534 -1.251
5 HB ILE 1 HB ILE 1 0.718 6.059 -0.069
6 1HG1 ILE 1 1HG1 ILE 1 1.463 7.902 -2.373
7 2HG1 ILE 1 2HG1 ILE 1 -0.083 7.023 -2.289
8 1HG2 ILE 1 1HG2 ILE 1 3.428 6.108 -0.226
9 2HG2 ILE 1 2HG2 ILE 1 3.061 7.722 -0.880
10 3HG2 ILE 1 3HG2 ILE 1 2.491 7.270 0.744
11 1HD1 ILE 1 1HD1 ILE 1 0.849 8.687 0.058
12 2HD1 ILE 1 2HD1 ILE 1 0.056 9.467 -1.331
13 3HD1 ILE 1 3HD1 ILE 1 -0.806 8.217 -0.401
14 H CYS 2 H CYS 2 0.654 3.355 -0.237
15 HA CYS 2 HA CYS 2 -1.716 3.136 -1.906
16 1HB CYS 2 1HB CYS 2 0.001 1.417 -2.624
17 2HB CYS 2 2HB CYS 2 -0.181 0.682 -1.044
18 H CYS 3 H CYS 3 -3.383 1.665 -0.652
19 HA CYS 3 HA CYS 3 -2.909 1.750 2.212
20 1HB CYS 3 1HB CYS 3 -4.110 3.882 1.299
21 2HB CYS 3 2HB CYS 3 -5.505 2.831 1.162
22 H ASN 4 H ASN 4 -2.670 -0.608 1.310
23 HA ASN 4 HA ASN 4 -5.099 -1.921 1.904
24 1HB ASN 4 1HB ASN 4 -4.598 -1.350 -0.855
25 2HB ASN 4 2HB ASN 4 -4.219 -3.049 -0.653
26 2HD2 ASN 4 1HD2 ASN 4 -5.868 -4.177 -1.349
27 1HD2 ASN 4 2HD2 ASN 4 -7.537 -3.950 -0.946
28 HA PRO 5 HA PRO 5 -2.079 -4.960 2.841
29 1HB PRO 5 1HB PRO 5 -3.498 -7.296 2.790
30 2HB PRO 5 2HB PRO 5 -3.544 -6.176 4.137
31 1HG PRO 5 1HG PRO 5 -5.585 -6.652 2.053
32 2HG PRO 5 2HG PRO 5 -5.770 -5.877 3.613
33 1HD PRO 5 1HD PRO 5 -5.613 -4.579 1.060
34 2HD PRO 5 2HD PRO 5 -5.681 -3.800 2.628
35 H ALA 6 H ALA 6 -3.927 -5.584 -0.047
36 HA ALA 6 HA ALA 6 -2.162 -7.516 -1.076
37 1HB ALA 6 1HB ALA 6 -4.515 -5.974 -1.917
38 2HB ALA 6 2HB ALA 6 -3.372 -6.266 -3.249
39 3HB ALA 6 3HB ALA 6 -4.036 -7.638 -2.329
40 H CYS 7 H CYS 7 -1.864 -4.112 -0.558
41 HA CYS 7 HA CYS 7 -0.223 -3.531 -2.781
42 1HB CYS 7 1HB CYS 7 -0.375 -2.088 -0.128
43 2HB CYS 7 2HB CYS 7 0.283 -1.460 -1.626
44 H GLY 8 H GLY 8 0.207 -4.913 0.470
45 1HA GLY 8 1HA GLY 8 2.014 -5.664 1.584
46 2HA GLY 8 2HA GLY 8 2.577 -6.184 0.008
47 HA PRO 9 HA PRO 9 5.816 -3.331 0.601
48 1HB PRO 9 1HB PRO 9 7.090 -3.647 -1.796
49 2HB PRO 9 2HB PRO 9 7.326 -4.726 -0.436
50 1HG PRO 9 2HG PRO 9 6.378 -6.356 -1.762
51 2HG PRO 9 1HG PRO 9 5.781 -5.179 -2.915
52 1HD PRO 9 1HD PRO 9 3.678 -5.422 -2.019
53 2HD PRO 9 2HD PRO 9 4.298 -6.512 -0.795
54 H LYS 10 H LYS 10 3.139 -2.800 -1.053
55 HA LYS 10 HA LYS 10 4.165 -0.254 -2.100
56 1HB LYS 10 1HB LYS 10 3.255 -1.849 -3.794
57 2HB LYS 10 2HB LYS 10 1.702 -1.786 -2.986
58 1HG LYS 10 1HG LYS 10 2.357 0.922 -3.292
59 2HG LYS 10 2HG LYS 10 2.969 0.202 -4.768
60 1HD LYS 10 1HD LYS 10 0.213 -0.607 -3.847
61 2HD LYS 10 2HD LYS 10 0.407 0.993 -4.535
62 1HE LYS 10 1HE LYS 10 1.588 -1.390 -5.988
63 2HE LYS 10 2HE LYS 10 -0.134 -1.085 -6.107
64 1HZ LYS 10 1HZ LYS 10 1.175 1.323 -6.478
65 2HZ LYS 10 2HZ LYS 10 1.927 0.224 -7.423
66 3HZ LYS 10 3HZ LYS 10 0.319 0.468 -7.575
67 H TYR 11 H TYR 11 2.557 -1.706 0.478
68 HA TYR 11 HA TYR 11 0.432 0.120 0.852
69 1HB TYR 11 1HB TYR 11 0.748 -2.197 1.874
70 2HB TYR 11 2HB TYR 11 2.143 -1.603 2.753
71 HD1 TYR 11 HD1 TYR 11 -1.095 0.184 2.279
72 HD2 TYR 11 HD2 TYR 11 1.450 -1.931 4.990
73 HE1 TYR 11 HE1 TYR 11 -2.596 0.851 4.220
74 HE2 TYR 11 HE2 TYR 11 -0.059 -1.257 6.921
75 HH TYR 11 HH TYR 11 -1.866 -0.245 7.522
76 H SER 12 H SER 12 0.590 2.256 1.300
77 HA SER 12 HA SER 12 2.467 3.057 3.304
78 1HB SER 12 1HB SER 12 3.229 3.298 0.606
79 2HB SER 12 2HB SER 12 2.663 4.903 1.024
80 HG SER 12 HG SER 12 4.796 3.381 2.213
81 H CYS 13 H CYS 13 0.092 3.169 4.119
82 HA CYS 13 HA CYS 13 -0.795 5.895 3.702
83 1HB CYS 13 1HB CYS 13 -2.247 5.006 2.155
84 2HB CYS 13 2HB CYS 13 -2.388 3.471 2.987
No H/Q in entry = 84
Start of MODEL 18
1 H1 ILE 1 H1 ILE 1 1.078 6.119 -3.619
2 H2 ILE 1 H2 ILE 1 2.242 6.883 -2.722
3 H3 ILE 1 H3 ILE 1 2.562 5.414 -3.418
4 HA ILE 1 HA ILE 1 2.197 4.773 -1.323
5 HB ILE 1 HB ILE 1 0.171 5.865 -0.085
6 1HG1 ILE 1 1HG1 ILE 1 0.775 8.238 -1.821
7 2HG1 ILE 1 2HG1 ILE 1 -0.350 7.014 -2.455
8 1HG2 ILE 1 1HG2 ILE 1 2.951 6.562 -0.420
9 2HG2 ILE 1 2HG2 ILE 1 2.007 8.054 -0.188
10 3HG2 ILE 1 3HG2 ILE 1 1.923 6.750 1.022
11 1HD1 ILE 1 1HD1 ILE 1 -1.427 7.200 -0.042
12 2HD1 ILE 1 2HD1 ILE 1 -0.614 8.782 -0.027
13 3HD1 ILE 1 3HD1 ILE 1 -1.813 8.410 -1.289
14 H CYS 2 H CYS 2 0.343 3.473 -0.278
15 HA CYS 2 HA CYS 2 -1.841 2.926 -2.059
16 1HB CYS 2 1HB CYS 2 0.121 1.574 -2.926
17 2HB CYS 2 2HB CYS 2 0.064 0.669 -1.427
18 H CYS 3 H CYS 3 -3.532 2.876 -0.620
19 HA CYS 3 HA CYS 3 -2.942 2.069 2.109
20 1HB CYS 3 1HB CYS 3 -4.140 4.240 1.496
21 2HB CYS 3 2HB CYS 3 -5.522 3.246 1.080
22 H ASN 4 H ASN 4 -2.674 -0.221 1.088
23 HA ASN 4 HA ASN 4 -5.145 -1.571 1.513
24 1HB ASN 4 1HB ASN 4 -4.378 -0.956 -1.172
25 2HB ASN 4 2HB ASN 4 -3.991 -2.652 -0.956
26 2HD2 ASN 4 1HD2 ASN 4 -5.882 -2.004 -2.725
27 1HD2 ASN 4 2HD2 ASN 4 -7.468 -2.435 -2.180
28 HA PRO 5 HA PRO 5 -2.148 -4.504 2.798
29 1HB PRO 5 1HB PRO 5 -3.630 -6.797 2.931
30 2HB PRO 5 2HB PRO 5 -3.652 -5.569 4.180
31 1HG PRO 5 2HG PRO 5 -5.866 -5.254 3.619
32 2HG PRO 5 1HG PRO 5 -5.696 -6.161 2.129
33 1HD PRO 5 1HD PRO 5 -5.663 -4.178 0.967
34 2HD PRO 5 2HD PRO 5 -5.716 -3.271 2.465
35 H ALA 6 H ALA 6 -3.958 -5.225 -0.076
36 HA ALA 6 HA ALA 6 -2.262 -7.317 -0.924
37 1HB ALA 6 3HB ALA 6 -4.464 -7.189 -1.828
38 2HB ALA 6 1HB ALA 6 -4.255 -5.485 -2.297
39 3HB ALA 6 2HB ALA 6 -3.373 -6.763 -3.167
40 H CYS 7 H CYS 7 -1.719 -3.985 -0.498
41 HA CYS 7 HA CYS 7 -0.131 -3.523 -2.795
42 1HB CYS 7 1HB CYS 7 -0.099 -2.048 -0.155
43 2HB CYS 7 2HB CYS 7 0.544 -1.479 -1.683
44 H GLY 8 H GLY 8 0.309 -4.906 0.454
45 1HA GLY 8 1HA GLY 8 2.078 -5.825 1.495
46 2HA GLY 8 2HA GLY 8 2.618 -6.291 -0.106
47 HA PRO 9 HA PRO 9 5.963 -3.594 0.626
48 1HB PRO 9 1HB PRO 9 7.249 -3.878 -1.769
49 2HB PRO 9 2HB PRO 9 7.430 -5.010 -0.444
50 1HG PRO 9 2HG PRO 9 6.433 -6.559 -1.833
51 2HG PRO 9 1HG PRO 9 5.893 -5.322 -2.951
52 1HD PRO 9 1HD PRO 9 3.774 -5.514 -2.082
53 2HD PRO 9 2HD PRO 9 4.340 -6.666 -0.889
54 H LYS 10 H LYS 10 3.328 -2.915 -1.055
55 HA LYS 10 HA LYS 10 4.456 -0.357 -1.960
56 1HB LYS 10 1HB LYS 10 3.585 -1.868 -3.760
57 2HB LYS 10 2HB LYS 10 1.997 -1.776 -3.025
58 1HG LYS 10 1HG LYS 10 2.732 0.912 -3.187
59 2HG LYS 10 2HG LYS 10 3.443 0.243 -4.642
60 1HD LYS 10 1HD LYS 10 0.571 -0.412 -3.901
61 2HD LYS 10 2HD LYS 10 0.953 1.094 -4.710
62 1HE LYS 10 1HE LYS 10 1.378 0.062 -6.715
63 2HE LYS 10 2HE LYS 10 2.252 -1.258 -5.963
64 1HZ LYS 10 1HZ LYS 10 -0.603 -1.162 -5.525
65 2HZ LYS 10 2HZ LYS 10 -0.099 -1.578 -7.022
66 3HZ LYS 10 3HZ LYS 10 0.376 -2.453 -5.728
67 H TYR 11 H TYR 11 2.764 -1.860 0.507
68 HA TYR 11 HA TYR 11 0.584 -0.142 0.884
69 1HB TYR 11 1HB TYR 11 1.043 -2.383 1.984
70 2HB TYR 11 2HB TYR 11 2.440 -1.700 2.791
71 HD1 TYR 11 HD1 TYR 11 1.923 0.427 4.312
72 HD2 TYR 11 HD2 TYR 11 -0.972 -2.499 3.143
73 HE1 TYR 11 HE1 TYR 11 0.455 1.080 6.283
74 HE2 TYR 11 HE2 TYR 11 -2.429 -1.836 5.117
75 HH TYR 11 HH TYR 11 -1.361 0.694 7.377
76 H SER 12 H SER 12 0.614 2.021 1.219
77 HA SER 12 HA SER 12 2.521 3.013 3.137
78 1HB SER 12 1HB SER 12 2.983 3.324 0.371
79 2HB SER 12 2HB SER 12 2.315 4.865 0.869
80 HG SER 12 HG SER 12 4.654 3.528 1.910
81 H CYS 13 H CYS 13 0.406 3.040 4.331
82 HA CYS 13 HA CYS 13 -0.899 5.576 3.872
83 1HB CYS 13 1HB CYS 13 -2.321 4.193 2.560
84 2HB CYS 13 2HB CYS 13 -2.365 2.941 3.786
No H/Q in entry = 84
Start of MODEL 19
1 H1 ILE 1 H1 ILE 1 2.129 4.926 -3.766
2 H2 ILE 1 H2 ILE 1 2.116 6.495 -3.234
3 H3 ILE 1 H3 ILE 1 3.426 5.528 -2.932
4 HA ILE 1 HA ILE 1 2.532 4.515 -1.223
5 HB ILE 1 HB ILE 1 1.014 6.028 0.007
6 1HG1 ILE 1 1HG1 ILE 1 1.004 7.899 -2.354
7 2HG1 ILE 1 2HG1 ILE 1 -0.190 6.582 -2.295
8 1HG2 ILE 1 1HG2 ILE 1 3.262 7.325 -1.584
9 2HG2 ILE 1 2HG2 ILE 1 2.452 8.112 -0.207
10 3HG2 ILE 1 3HG2 ILE 1 3.360 6.601 0.039
11 1HD1 ILE 1 1HD1 ILE 1 -0.213 7.637 0.300
12 2HD1 ILE 1 2HD1 ILE 1 -0.080 9.069 -0.749
13 3HD1 ILE 1 3HD1 ILE 1 -1.429 7.928 -0.966
14 H CYS 2 H CYS 2 0.763 3.306 -0.259
15 HA CYS 2 HA CYS 2 -1.579 3.045 -1.960
16 1HB CYS 2 1HB CYS 2 0.176 1.352 -2.651
17 2HB CYS 2 2HB CYS 2 -0.020 0.616 -1.073
18 H CYS 3 H CYS 3 -3.313 1.734 -0.743
19 HA CYS 3 HA CYS 3 -2.856 1.764 2.135
20 1HB CYS 3 1HB CYS 3 -4.106 3.862 1.093
21 2HB CYS 3 2HB CYS 3 -5.479 2.774 1.130
22 H ASN 4 H ASN 4 -2.595 -0.601 1.298
23 HA ASN 4 HA ASN 4 -5.037 -1.912 1.830
24 1HB ASN 4 1HB ASN 4 -4.463 -1.379 -0.917
25 2HB ASN 4 2HB ASN 4 -4.058 -3.068 -0.682
26 2HD2 ASN 4 1HD2 ASN 4 -5.992 -2.792 -2.323
27 1HD2 ASN 4 2HD2 ASN 4 -7.562 -3.096 -1.657
28 HA PRO 5 HA PRO 5 -2.029 -4.903 2.939
29 1HB PRO 5 1HB PRO 5 -3.459 -7.232 2.964
30 2HB PRO 5 2HB PRO 5 -3.514 -6.059 4.265
31 1HG PRO 5 2HG PRO 5 -5.733 -5.770 3.705
32 2HG PRO 5 1HG PRO 5 -5.534 -6.608 2.179
33 1HD PRO 5 1HD PRO 5 -5.541 -4.576 1.104
34 2HD PRO 5 2HD PRO 5 -5.623 -3.735 2.640
35 H ALA 6 H ALA 6 -3.842 -5.619 0.053
36 HA ALA 6 HA ALA 6 -2.088 -7.607 -0.880
37 1HB ALA 6 1HB ALA 6 -4.434 -6.122 -1.773
38 2HB ALA 6 2HB ALA 6 -3.266 -6.344 -3.098
39 3HB ALA 6 3HB ALA 6 -3.893 -7.758 -2.217
40 H CYS 7 H CYS 7 -1.810 -4.156 -0.555
41 HA CYS 7 HA CYS 7 -0.115 -3.683 -2.742
42 1HB CYS 7 2HB CYS 7 0.418 -1.589 -1.640
43 2HB CYS 7 1HB CYS 7 -0.265 -2.163 -0.132
44 H GLY 8 H GLY 8 0.275 -4.982 0.548
45 1HA GLY 8 1HA GLY 8 2.065 -5.727 1.695
46 2HA GLY 8 2HA GLY 8 2.629 -6.298 0.137
47 HA PRO 9 HA PRO 9 5.906 -3.477 0.670
48 1HB PRO 9 1HB PRO 9 7.187 -3.873 -1.712
49 2HB PRO 9 2HB PRO 9 7.401 -4.920 -0.323
50 1HG PRO 9 1HG PRO 9 5.859 -5.416 -2.797
51 2HG PRO 9 2HG PRO 9 6.434 -6.572 -1.612
52 1HD PRO 9 1HD PRO 9 3.750 -5.605 -1.906
53 2HD PRO 9 2HD PRO 9 4.348 -6.671 -0.651
54 H LYS 10 H LYS 10 3.245 -2.950 -1.010
55 HA LYS 10 HA LYS 10 4.312 -0.443 -2.109
56 1HB LYS 10 1HB LYS 10 3.400 -2.080 -3.772
57 2HB LYS 10 2HB LYS 10 1.836 -1.956 -2.991
58 1HG LYS 10 1HG LYS 10 2.495 0.720 -3.351
59 2HG LYS 10 2HG LYS 10 3.220 -0.015 -4.767
60 1HD LYS 10 1HD LYS 10 1.090 -1.013 -5.433
61 2HD LYS 10 2HD LYS 10 0.337 -0.551 -3.921
62 1HE LYS 10 1HE LYS 10 0.793 1.891 -4.534
63 2HE LYS 10 2HE LYS 10 1.328 1.336 -6.107
64 1HZ LYS 10 1HZ LYS 10 -1.286 0.543 -5.074
65 2HZ LYS 10 2HZ LYS 10 -1.088 1.984 -5.817
66 3HZ LYS 10 3HZ LYS 10 -0.777 0.598 -6.624
67 H TYR 11 H TYR 11 2.615 -1.840 0.459
68 HA TYR 11 HA TYR 11 0.537 0.059 0.762
69 1HB TYR 11 1HB TYR 11 0.903 -2.327 1.772
70 2HB TYR 11 2HB TYR 11 2.091 -1.604 2.837
71 HD1 TYR 11 HD1 TYR 11 -0.291 0.879 2.437
72 HD2 TYR 11 HD2 TYR 11 0.212 -2.927 4.326
73 HE1 TYR 11 HE1 TYR 11 -2.129 1.453 4.098
74 HE2 TYR 11 HE2 TYR 11 -1.627 -2.339 5.981
75 HH TYR 11 HH TYR 11 -2.594 -0.230 6.921
76 H SER 12 H SER 12 0.737 2.180 1.257
77 HA SER 12 HA SER 12 2.608 2.904 3.296
78 1HB SER 12 1HB SER 12 3.354 3.199 0.570
79 2HB SER 12 2HB SER 12 2.917 4.809 1.108
80 HG SER 12 HG SER 12 4.362 4.373 3.016
81 H CYS 13 H CYS 13 0.159 3.020 3.998
82 HA CYS 13 HA CYS 13 -0.588 5.799 3.742
83 1HB CYS 13 1HB CYS 13 -1.912 5.077 1.976
84 2HB CYS 13 2HB CYS 13 -2.270 3.533 2.727
No H/Q in entry = 84
Start of MODEL 20
1 H1 ILE 1 H1 ILE 1 1.822 5.216 -3.676
2 H2 ILE 1 H2 ILE 1 1.724 6.749 -3.056
3 H3 ILE 1 H3 ILE 1 3.092 5.846 -2.820
4 HA ILE 1 HA ILE 1 2.274 4.679 -1.169
5 HB ILE 1 HB ILE 1 0.721 6.034 0.177
6 1HG1 ILE 1 1HG1 ILE 1 0.517 8.011 -2.093
7 2HG1 ILE 1 2HG1 ILE 1 -0.604 6.628 -2.036
8 1HG2 ILE 1 1HG2 ILE 1 3.190 6.666 -0.243
9 2HG2 ILE 1 2HG2 ILE 1 2.557 7.921 -1.336
10 3HG2 ILE 1 3HG2 ILE 1 2.125 7.944 0.391
11 1HD1 ILE 1 1HD1 ILE 1 -0.144 8.631 0.217
12 2HD1 ILE 1 2HD1 ILE 1 -1.548 8.608 -0.876
13 3HD1 ILE 1 3HD1 ILE 1 -1.280 7.260 0.254
14 H CYS 2 H CYS 2 0.672 3.231 -0.338
15 HA CYS 2 HA CYS 2 -1.739 3.008 -1.947
16 1HB CYS 2 1HB CYS 2 0.075 1.523 -2.908
17 2HB CYS 2 2HB CYS 2 0.016 0.608 -1.415
18 H CYS 3 H CYS 3 -3.490 2.612 -0.603
19 HA CYS 3 HA CYS 3 -2.826 1.921 2.160
20 1HB CYS 3 1HB CYS 3 -4.050 4.125 1.460
21 2HB CYS 3 2HB CYS 3 -5.457 3.089 1.312
22 H ASN 4 H ASN 4 -2.648 -0.378 1.244
23 HA ASN 4 HA ASN 4 -5.132 -1.664 1.676
24 1HB ASN 4 1HB ASN 4 -4.502 -1.017 -1.018
25 2HB ASN 4 2HB ASN 4 -4.062 -2.707 -0.864
26 2HD2 ASN 4 1HD2 ASN 4 -5.601 -3.987 -1.511
27 1HD2 ASN 4 2HD2 ASN 4 -7.305 -3.806 -1.255
28 HA PRO 5 HA PRO 5 -2.204 -4.739 2.771
29 1HB PRO 5 1HB PRO 5 -3.692 -7.030 2.718
30 2HB PRO 5 2HB PRO 5 -3.737 -5.889 4.047
31 1HG PRO 5 1HG PRO 5 -5.739 -6.336 1.918
32 2HG PRO 5 2HG PRO 5 -5.939 -5.530 3.462
33 1HD PRO 5 1HD PRO 5 -5.680 -4.281 0.894
34 2HD PRO 5 2HD PRO 5 -5.762 -3.475 2.448
35 H ALA 6 H ALA 6 -3.985 -5.326 -0.163
36 HA ALA 6 HA ALA 6 -2.237 -7.328 -1.111
37 1HB ALA 6 1HB ALA 6 -4.684 -6.223 -1.836
38 2HB ALA 6 2HB ALA 6 -3.596 -5.698 -3.143
39 3HB ALA 6 3HB ALA 6 -3.767 -7.429 -2.769
40 H CYS 7 H CYS 7 -1.776 -4.009 -0.509
41 HA CYS 7 HA CYS 7 -0.155 -3.428 -2.767
42 1HB CYS 7 1HB CYS 7 -0.261 -2.006 -0.101
43 2HB CYS 7 2HB CYS 7 0.409 -1.384 -1.596
44 H GLY 8 H GLY 8 0.232 -4.854 0.471
45 1HA GLY 8 1HA GLY 8 2.016 -5.669 1.579
46 2HA GLY 8 2HA GLY 8 2.563 -6.190 -0.002
47 HA PRO 9 HA PRO 9 5.886 -3.442 0.613
48 1HB PRO 9 1HB PRO 9 7.146 -3.769 -1.791
49 2HB PRO 9 2HB PRO 9 7.352 -4.869 -0.443
50 1HG PRO 9 1HG PRO 9 5.789 -5.249 -2.924
51 2HG PRO 9 2HG PRO 9 6.353 -6.457 -1.786
52 1HD PRO 9 1HD PRO 9 3.681 -5.440 -2.026
53 2HD PRO 9 2HD PRO 9 4.271 -6.560 -0.816
54 H LYS 10 H LYS 10 3.224 -2.814 -1.033
55 HA LYS 10 HA LYS 10 4.323 -0.283 -2.043
56 1HB LYS 10 1HB LYS 10 3.365 -1.868 -3.748
57 2HB LYS 10 2HB LYS 10 1.807 -1.697 -2.967
58 1HG LYS 10 1HG LYS 10 2.465 0.945 -3.246
59 2HG LYS 10 2HG LYS 10 3.333 0.283 -4.617
60 1HD LYS 10 1HD LYS 10 0.456 -0.541 -4.150
61 2HD LYS 10 2HD LYS 10 0.792 1.022 -4.870
62 1HE LYS 10 1HE LYS 10 1.590 0.104 -6.843
63 2HE LYS 10 2HE LYS 10 2.304 -1.281 -6.041
64 1HZ LYS 10 1HZ LYS 10 -0.356 -1.581 -5.650
65 2HZ LYS 10 2HZ LYS 10 -0.270 -1.016 -7.180
66 3HZ LYS 10 3HZ LYS 10 0.542 -2.371 -6.763
67 H TYR 11 H TYR 11 2.681 -1.720 0.512
68 HA TYR 11 HA TYR 11 0.583 0.133 0.897
69 1HB TYR 11 1HB TYR 11 0.884 -2.198 1.905
70 2HB TYR 11 2HB TYR 11 2.271 -1.611 2.801
71 HD1 TYR 11 HD1 TYR 11 -1.050 0.036 2.274
72 HD2 TYR 11 HD2 TYR 11 1.643 -1.793 5.050
73 HE1 TYR 11 HE1 TYR 11 -2.571 0.703 4.200
74 HE2 TYR 11 HE2 TYR 11 0.114 -1.120 6.967
75 HH TYR 11 HH TYR 11 -2.951 -0.348 6.639
76 H SER 12 H SER 12 0.776 2.267 1.346
77 HA SER 12 HA SER 12 2.731 3.021 3.316
78 1HB SER 12 1HB SER 12 3.260 3.398 0.554
79 2HB SER 12 2HB SER 12 2.779 4.976 1.144
80 HG SER 12 HG SER 12 4.863 3.296 2.256
81 H CYS 13 H CYS 13 0.372 3.033 4.241
82 HA CYS 13 HA CYS 13 -0.534 5.771 4.070
83 1HB CYS 13 1HB CYS 13 -1.985 4.984 2.438
84 2HB CYS 13 2HB CYS 13 -2.187 3.423 3.208
No H/Q in entry = 84
Start of MODEL 21
1 H1 ILE 1 H1 ILE 1 1.391 6.101 -3.647
2 H2 ILE 1 H2 ILE 1 2.818 6.507 -2.913
3 H3 ILE 1 H3 ILE 1 2.640 5.015 -3.610
4 HA ILE 1 HA ILE 1 2.451 4.617 -1.380
5 HB ILE 1 HB ILE 1 0.625 6.033 -0.145
6 1HG1 ILE 1 2HG1 ILE 1 1.349 7.804 -2.518
7 2HG1 ILE 1 1HG1 ILE 1 0.502 8.362 -1.056
8 1HG2 ILE 1 1HG2 ILE 1 3.444 6.285 -0.559
9 2HG2 ILE 1 2HG2 ILE 1 2.763 7.930 -0.520
10 3HG2 ILE 1 3HG2 ILE 1 2.490 6.821 0.845
11 1HD1 ILE 1 1HD1 ILE 1 -1.026 6.201 -1.695
12 2HD1 ILE 1 2HD1 ILE 1 -1.362 7.846 -2.285
13 3HD1 ILE 1 3HD1 ILE 1 -0.487 6.692 -3.319
14 H CYS 2 H CYS 2 0.575 3.542 -0.207
15 HA CYS 2 HA CYS 2 -1.753 3.162 -1.871
16 1HB CYS 2 1HB CYS 2 0.003 1.508 -2.639
17 2HB CYS 2 2HB CYS 2 -0.109 0.764 -1.055
18 H CYS 3 H CYS 3 -3.340 1.633 -0.587
19 HA CYS 3 HA CYS 3 -2.801 1.681 2.261
20 1HB CYS 3 1HB CYS 3 -4.003 3.838 1.477
21 2HB CYS 3 2HB CYS 3 -5.408 2.810 1.273
22 H ASN 4 H ASN 4 -2.590 -0.652 1.259
23 HA ASN 4 HA ASN 4 -4.985 -1.991 1.918
24 1HB ASN 4 1HB ASN 4 -4.148 -1.707 -0.971
25 2HB ASN 4 2HB ASN 4 -4.746 -3.275 -0.465
26 2HD2 ASN 4 1HD2 ASN 4 -6.856 -3.551 0.147
27 1HD2 ASN 4 2HD2 ASN 4 -8.100 -2.375 -0.114
28 HA PRO 5 HA PRO 5 -1.899 -5.026 2.620
29 1HB PRO 5 1HB PRO 5 -3.334 -7.352 2.672
30 2HB PRO 5 2HB PRO 5 -3.264 -6.239 4.024
31 1HG PRO 5 1HG PRO 5 -5.469 -6.689 2.107
32 2HG PRO 5 2HG PRO 5 -5.523 -5.920 3.681
33 1HD PRO 5 1HD PRO 5 -5.562 -4.611 1.129
34 2HD PRO 5 2HD PRO 5 -5.497 -3.841 2.702
35 H ALA 6 H ALA 6 -3.895 -5.432 -0.173
36 HA ALA 6 HA ALA 6 -2.348 -7.467 -1.350
37 1HB ALA 6 3HB ALA 6 -4.508 -7.215 -2.214
38 2HB ALA 6 1HB ALA 6 -4.380 -5.441 -2.287
39 3HB ALA 6 2HB ALA 6 -3.507 -6.446 -3.469
40 H CYS 7 H CYS 7 -1.705 -4.153 -0.674
41 HA CYS 7 HA CYS 7 -0.022 -3.735 -2.954
42 1HB CYS 7 2HB CYS 7 0.533 -1.613 -1.895
43 2HB CYS 7 1HB CYS 7 -0.272 -2.105 -0.418
44 H GLY 8 H GLY 8 0.161 -5.005 0.344
45 1HA GLY 8 1HA GLY 8 1.867 -5.763 1.606
46 2HA GLY 8 2HA GLY 8 2.527 -6.334 0.087
47 HA PRO 9 HA PRO 9 5.784 -3.541 0.840
48 1HB PRO 9 1HB PRO 9 7.207 -3.931 -1.460
49 2HB PRO 9 2HB PRO 9 7.327 -4.990 -0.069
50 1HG PRO 9 1HG PRO 9 5.940 -5.455 -2.638
51 2HG PRO 9 2HG PRO 9 6.431 -6.624 -1.427
52 1HD PRO 9 1HD PRO 9 3.776 -5.635 -1.882
53 2HD PRO 9 2HD PRO 9 4.288 -6.713 -0.599
54 H LYS 10 H LYS 10 3.240 -2.988 -1.013
55 HA LYS 10 HA LYS 10 4.390 -0.477 -2.015
56 1HB LYS 10 1HB LYS 10 3.634 -2.003 -3.792
57 2HB LYS 10 2HB LYS 10 2.035 -2.064 -3.079
58 1HG LYS 10 1HG LYS 10 2.772 0.715 -3.363
59 2HG LYS 10 2HG LYS 10 3.107 -0.088 -4.884
60 1HD LYS 10 1HD LYS 10 0.799 -0.992 -4.953
61 2HD LYS 10 2HD LYS 10 0.452 -0.290 -3.385
62 1HE LYS 10 2HE LYS 10 1.325 1.948 -4.697
63 2HE LYS 10 1HE LYS 10 -0.358 1.465 -4.626
64 1HZ LYS 10 1HZ LYS 10 1.212 0.239 -6.706
65 2HZ LYS 10 2HZ LYS 10 -0.320 0.805 -6.751
66 3HZ LYS 10 3HZ LYS 10 0.937 1.840 -6.877
67 H TYR 11 H TYR 11 2.713 -1.775 0.532
68 HA TYR 11 HA TYR 11 0.532 0.049 0.688
69 1HB TYR 11 1HB TYR 11 0.657 -2.208 1.795
70 2HB TYR 11 2HB TYR 11 2.097 -1.721 2.667
71 HD1 TYR 11 HD1 TYR 11 -1.084 0.188 2.167
72 HD2 TYR 11 HD2 TYR 11 1.476 -1.847 4.925
73 HE1 TYR 11 HE1 TYR 11 -2.523 0.988 4.103
74 HE2 TYR 11 HE2 TYR 11 0.029 -1.039 6.852
75 HH TYR 11 HH TYR 11 -2.974 0.006 6.535
76 H SER 12 H SER 12 0.674 2.189 1.119
77 HA SER 12 HA SER 12 2.526 2.999 3.167
78 1HB SER 12 1HB SER 12 3.204 3.317 0.448
79 2HB SER 12 2HB SER 12 2.622 4.898 0.932
80 HG SER 12 HG SER 12 4.137 4.296 2.947
81 H CYS 13 H CYS 13 0.299 3.133 4.174
82 HA CYS 13 HA CYS 13 -0.742 5.791 3.730
83 1HB CYS 13 1HB CYS 13 -2.234 4.779 2.280
84 2HB CYS 13 2HB CYS 13 -2.305 3.292 3.203
No H/Q in entry = 84
Start of MODEL 22
1 H1 ILE 1 H1 ILE 1 0.731 6.074 -3.796
2 H2 ILE 1 H2 ILE 1 2.071 6.745 -3.093
3 H3 ILE 1 H3 ILE 1 2.141 5.210 -3.711
4 HA ILE 1 HA ILE 1 1.948 4.720 -1.560
5 HB ILE 1 HB ILE 1 0.211 6.169 -0.196
6 1HG1 ILE 1 1HG1 ILE 1 1.091 8.269 -2.179
7 2HG1 ILE 1 2HG1 ILE 1 -0.375 7.312 -2.504
8 1HG2 ILE 1 1HG2 ILE 1 3.025 6.291 -0.726
9 2HG2 ILE 1 2HG2 ILE 1 2.425 7.961 -0.587
10 3HG2 ILE 1 3HG2 ILE 1 2.157 6.805 0.741
11 1HD1 ILE 1 1HD1 ILE 1 -1.225 7.938 -0.225
12 2HD1 ILE 1 2HD1 ILE 1 0.192 8.998 -0.029
13 3HD1 ILE 1 3HD1 ILE 1 -1.006 9.339 -1.301
14 H CYS 2 H CYS 2 0.366 3.385 -0.454
15 HA CYS 2 HA CYS 2 -2.191 3.184 -1.824
16 1HB CYS 2 1HB CYS 2 -1.119 1.541 -3.043
17 2HB CYS 2 2HB CYS 2 -0.096 1.051 -1.707
18 H CYS 3 H CYS 3 -3.739 1.802 -0.471
19 HA CYS 3 HA CYS 3 -2.887 1.673 2.319
20 1HB CYS 3 1HB CYS 3 -4.248 3.784 1.707
21 2HB CYS 3 2HB CYS 3 -5.617 2.699 1.574
22 H ASN 4 H ASN 4 -2.733 -0.563 0.845
23 HA ASN 4 HA ASN 4 -5.092 -2.007 1.685
24 1HB ASN 4 1HB ASN 4 -3.858 -2.664 -1.010
25 2HB ASN 4 2HB ASN 4 -5.463 -3.053 -0.424
26 2HD2 ASN 4 1HD2 ASN 4 -4.337 -1.586 -2.816
27 1HD2 ASN 4 2HD2 ASN 4 -5.216 -0.095 -2.902
28 HA PRO 5 HA PRO 5 -1.933 -4.848 2.775
29 1HB PRO 5 1HB PRO 5 -3.343 -7.174 3.043
30 2HB PRO 5 2HB PRO 5 -3.301 -5.930 4.277
31 1HG PRO 5 2HG PRO 5 -5.559 -5.676 3.880
32 2HG PRO 5 1HG PRO 5 -5.478 -6.598 2.392
33 1HD PRO 5 1HD PRO 5 -5.581 -4.629 1.211
34 2HD PRO 5 2HD PRO 5 -5.545 -3.704 2.699
35 H ALA 6 H ALA 6 -3.870 -5.513 -0.001
36 HA ALA 6 HA ALA 6 -2.296 -7.653 -0.949
37 1HB ALA 6 2HB ALA 6 -3.951 -5.704 -2.589
38 2HB ALA 6 1HB ALA 6 -4.676 -6.996 -1.603
39 3HB ALA 6 3HB ALA 6 -3.587 -7.407 -2.949
40 H CYS 7 H CYS 7 -1.680 -4.291 -0.575
41 HA CYS 7 HA CYS 7 -0.002 -4.037 -2.873
42 1HB CYS 7 2HB CYS 7 0.601 -1.862 -1.907
43 2HB CYS 7 1HB CYS 7 -0.270 -2.259 -0.440
44 H GLY 8 H GLY 8 0.206 -5.137 0.477
45 1HA GLY 8 1HA GLY 8 1.920 -5.834 1.764
46 2HA GLY 8 2HA GLY 8 2.578 -6.468 0.269
47 HA PRO 9 HA PRO 9 5.825 -3.632 0.882
48 1HB PRO 9 1HB PRO 9 7.236 -4.109 -1.410
49 2HB PRO 9 2HB PRO 9 7.369 -5.108 0.023
50 1HG PRO 9 1HG PRO 9 5.968 -5.684 -2.516
51 2HG PRO 9 2HG PRO 9 6.471 -6.801 -1.262
52 1HD PRO 9 1HD PRO 9 3.810 -5.843 -1.739
53 2HD PRO 9 2HD PRO 9 4.334 -6.866 -0.416
54 H LYS 10 H LYS 10 3.268 -3.167 -0.979
55 HA LYS 10 HA LYS 10 4.398 -0.689 -2.081
56 1HB LYS 10 1HB LYS 10 3.671 -2.257 -3.814
57 2HB LYS 10 2HB LYS 10 2.080 -2.366 -3.086
58 1HG LYS 10 1HG LYS 10 2.767 0.436 -3.476
59 2HG LYS 10 2HG LYS 10 3.006 -0.432 -4.979
60 1HD LYS 10 1HD LYS 10 0.599 -1.498 -4.177
61 2HD LYS 10 2HD LYS 10 0.479 0.103 -3.477
62 1HE LYS 10 1HE LYS 10 1.330 -0.273 -6.374
63 2HE LYS 10 2HE LYS 10 -0.364 -0.239 -5.930
64 1HZ LYS 10 1HZ LYS 10 1.080 1.881 -4.738
65 2HZ LYS 10 2HZ LYS 10 1.206 1.914 -6.366
66 3HZ LYS 10 3HZ LYS 10 -0.267 1.936 -5.660
67 H TYR 11 H TYR 11 2.736 -1.900 0.514
68 HA TYR 11 HA TYR 11 0.524 -0.119 0.605
69 1HB TYR 11 1HB TYR 11 0.724 -2.303 1.839
70 2HB TYR 11 2HB TYR 11 2.164 -1.729 2.658
71 HD1 TYR 11 HD1 TYR 11 -1.473 -0.924 2.256
72 HD2 TYR 11 HD2 TYR 11 1.980 -0.754 4.775
73 HE1 TYR 11 HE1 TYR 11 -2.902 -0.048 4.168
74 HE2 TYR 11 HE2 TYR 11 0.540 0.122 6.679
75 HH TYR 11 HH TYR 11 -2.677 -0.151 6.775
76 H SER 12 H SER 12 0.589 2.042 0.938
77 HA SER 12 HA SER 12 2.528 3.010 2.848
78 1HB SER 12 1HB SER 12 2.951 3.291 0.080
79 2HB SER 12 2HB SER 12 2.289 4.842 0.560
80 HG SER 12 HG SER 12 4.708 3.562 1.404
81 H CYS 13 H CYS 13 0.483 3.114 4.122
82 HA CYS 13 HA CYS 13 -0.823 5.646 3.642
83 1HB CYS 13 1HB CYS 13 -2.360 4.351 2.449
84 2HB CYS 13 2HB CYS 13 -2.259 3.007 3.569
No H/Q in entry = 84
Start of MODEL 23
1 H1 ILE 1 H1 ILE 1 1.716 5.236 -3.726
2 H2 ILE 1 H2 ILE 1 1.788 6.738 -3.034
3 H3 ILE 1 H3 ILE 1 3.074 5.704 -2.905
4 HA ILE 1 HA ILE 1 2.272 4.638 -1.205
5 HB ILE 1 HB ILE 1 0.659 5.971 0.121
6 1HG1 ILE 1 1HG1 ILE 1 0.515 8.144 -1.880
7 2HG1 ILE 1 2HG1 ILE 1 -0.381 6.677 -2.341
8 1HG2 ILE 1 1HG2 ILE 1 2.951 7.304 -1.331
9 2HG2 ILE 1 2HG2 ILE 1 1.978 8.228 -0.163
10 3HG2 ILE 1 3HG2 ILE 1 2.852 6.770 0.363
11 1HD1 ILE 1 1HD1 ILE 1 -0.624 7.982 0.396
12 2HD1 ILE 1 2HD1 ILE 1 -1.700 8.373 -0.967
13 3HD1 ILE 1 3HD1 ILE 1 -1.665 6.721 -0.306
14 H CYS 2 H CYS 2 0.591 3.269 -0.290
15 HA CYS 2 HA CYS 2 -1.767 2.965 -1.950
16 1HB CYS 2 1HB CYS 2 0.068 1.465 -2.846
17 2HB CYS 2 2HB CYS 2 -0.011 0.586 -1.332
18 H CYS 3 H CYS 3 -3.537 2.595 -0.624
19 HA CYS 3 HA CYS 3 -2.910 1.976 2.166
20 1HB CYS 3 1HB CYS 3 -4.134 4.157 1.388
21 2HB CYS 3 2HB CYS 3 -5.534 3.112 1.257
22 H ASN 4 H ASN 4 -2.715 -0.346 1.327
23 HA ASN 4 HA ASN 4 -5.188 -1.634 1.767
24 1HB ASN 4 1HB ASN 4 -4.577 -1.028 -0.942
25 2HB ASN 4 2HB ASN 4 -4.129 -2.712 -0.763
26 2HD2 ASN 4 1HD2 ASN 4 -5.827 -3.275 -2.152
27 1HD2 ASN 4 2HD2 ASN 4 -7.474 -3.353 -1.622
28 HA PRO 5 HA PRO 5 -2.241 -4.681 2.888
29 1HB PRO 5 1HB PRO 5 -3.715 -6.983 2.867
30 2HB PRO 5 2HB PRO 5 -3.764 -5.825 4.182
31 1HG PRO 5 2HG PRO 5 -5.970 -5.487 3.597
32 2HG PRO 5 1HG PRO 5 -5.768 -6.311 2.063
33 1HD PRO 5 1HD PRO 5 -5.723 -4.267 1.013
34 2HD PRO 5 2HD PRO 5 -5.808 -3.443 2.558
35 H ALA 6 H ALA 6 -4.026 -5.319 -0.032
36 HA ALA 6 HA ALA 6 -2.262 -7.318 -0.959
37 1HB ALA 6 2HB ALA 6 -4.112 -5.456 -2.503
38 2HB ALA 6 1HB ALA 6 -4.610 -6.979 -1.727
39 3HB ALA 6 3HB ALA 6 -3.447 -7.005 -3.075
40 H CYS 7 H CYS 7 -1.819 -3.996 -0.391
41 HA CYS 7 HA CYS 7 -0.251 -3.387 -2.668
42 1HB CYS 7 2HB CYS 7 0.363 -1.372 -1.468
43 2HB CYS 7 1HB CYS 7 -0.267 -2.025 0.032
44 H GLY 8 H GLY 8 0.244 -4.853 0.544
45 1HA GLY 8 1HA GLY 8 2.063 -5.690 1.576
46 2HA GLY 8 2HA GLY 8 2.541 -6.209 -0.029
47 HA PRO 9 HA PRO 9 5.911 -3.495 0.453
48 1HB PRO 9 1HB PRO 9 7.049 -3.795 -2.013
49 2HB PRO 9 2HB PRO 9 7.310 -4.919 -0.695
50 1HG PRO 9 1HG PRO 9 5.624 -5.245 -3.101
51 2HG PRO 9 2HG PRO 9 6.230 -6.475 -2.011
52 1HD PRO 9 1HD PRO 9 3.561 -5.430 -2.105
53 2HD PRO 9 2HD PRO 9 4.198 -6.574 -0.941
54 H LYS 10 H LYS 10 3.178 -2.816 -1.050
55 HA LYS 10 HA LYS 10 4.251 -0.274 -2.058
56 1HB LYS 10 1HB LYS 10 3.223 -1.832 -3.754
57 2HB LYS 10 2HB LYS 10 1.692 -1.646 -2.922
58 1HG LYS 10 1HG LYS 10 2.152 0.948 -3.179
59 2HG LYS 10 2HG LYS 10 3.294 0.454 -4.414
60 1HD LYS 10 1HD LYS 10 0.618 -0.854 -4.598
61 2HD LYS 10 2HD LYS 10 0.603 0.879 -4.856
62 1HE LYS 10 1HE LYS 10 1.473 0.626 -6.936
63 2HE LYS 10 2HE LYS 10 2.861 -0.229 -6.292
64 1HZ LYS 10 1HZ LYS 10 0.261 -1.501 -6.785
65 2HZ LYS 10 2HZ LYS 10 1.507 -1.536 -7.839
66 3HZ LYS 10 3HZ LYS 10 1.653 -2.250 -6.377
67 H TYR 11 H TYR 11 2.672 -1.771 0.512
68 HA TYR 11 HA TYR 11 0.582 0.034 1.022
69 1HB TYR 11 1HB TYR 11 1.062 -2.290 2.017
70 2HB TYR 11 2HB TYR 11 2.427 -1.602 2.873
71 HD1 TYR 11 HD1 TYR 11 1.745 0.610 4.312
72 HD2 TYR 11 HD2 TYR 11 -0.885 -2.588 3.234
73 HE1 TYR 11 HE1 TYR 11 0.220 1.198 6.260
74 HE2 TYR 11 HE2 TYR 11 -2.400 -1.990 5.186
75 HH TYR 11 HH TYR 11 -2.891 -0.363 6.647
76 H SER 12 H SER 12 0.730 2.179 1.431
77 HA SER 12 HA SER 12 2.705 3.026 3.328
78 1HB SER 12 1HB SER 12 3.198 3.336 0.541
79 2HB SER 12 2HB SER 12 2.738 4.926 1.118
80 HG SER 12 HG SER 12 4.499 5.034 2.421
81 H CYS 13 H CYS 13 0.370 3.057 4.283
82 HA CYS 13 HA CYS 13 -0.583 5.770 4.004
83 1HB CYS 13 1HB CYS 13 -2.020 4.847 2.411
84 2HB CYS 13 2HB CYS 13 -2.235 3.359 3.310
No H/Q in entry = 84
Start of MODEL 24
1 H1 ILE 1 H1 ILE 1 0.807 6.288 -3.640
2 H2 ILE 1 H2 ILE 1 1.924 7.127 -2.753
3 H3 ILE 1 H3 ILE 1 2.361 5.730 -3.525
4 HA ILE 1 HA ILE 1 2.139 4.936 -1.471
5 HB ILE 1 HB ILE 1 0.105 5.820 -0.075
6 1HG1 ILE 1 1HG1 ILE 1 0.485 8.338 -1.648
7 2HG1 ILE 1 2HG1 ILE 1 -0.558 7.087 -2.366
8 1HG2 ILE 1 1HG2 ILE 1 2.784 6.436 -0.200
9 2HG2 ILE 1 2HG2 ILE 1 2.041 8.038 -0.424
10 3HG2 ILE 1 3HG2 ILE 1 1.659 7.073 1.022
11 1HD1 ILE 1 1HD1 ILE 1 -1.657 6.978 0.004
12 2HD1 ILE 1 2HD1 ILE 1 -0.886 8.562 0.257
13 3HD1 ILE 1 3HD1 ILE 1 -2.064 8.345 -1.061
14 H CYS 2 H CYS 2 0.177 3.679 -0.290
15 HA CYS 2 HA CYS 2 -1.939 2.988 -2.065
16 1HB CYS 2 1HB CYS 2 0.066 1.733 -2.981
17 2HB CYS 2 2HB CYS 2 0.072 0.809 -1.491
18 H CYS 3 H CYS 3 -3.607 2.816 -0.609
19 HA CYS 3 HA CYS 3 -2.923 1.982 2.097
20 1HB CYS 3 1HB CYS 3 -4.164 4.156 1.579
21 2HB CYS 3 2HB CYS 3 -5.544 3.156 1.172
22 H ASN 4 H ASN 4 -2.659 -0.282 1.067
23 HA ASN 4 HA ASN 4 -5.091 -1.676 1.508
24 1HB ASN 4 1HB ASN 4 -3.995 -1.283 -1.266
25 2HB ASN 4 2HB ASN 4 -4.504 -2.912 -0.870
26 2HD2 ASN 4 1HD2 ASN 4 -6.608 -2.616 0.756
27 1HD2 ASN 4 2HD2 ASN 4 -7.924 -1.803 -0.021
28 HA PRO 5 HA PRO 5 -1.984 -4.585 2.575
29 1HB PRO 5 1HB PRO 5 -3.443 -6.888 2.778
30 2HB PRO 5 2HB PRO 5 -3.387 -5.675 4.040
31 1HG PRO 5 1HG PRO 5 -5.559 -6.254 2.122
32 2HG PRO 5 2HG PRO 5 -5.636 -5.367 3.631
33 1HD PRO 5 1HD PRO 5 -5.614 -4.258 0.986
34 2HD PRO 5 2HD PRO 5 -5.573 -3.368 2.495
35 H ALA 6 H ALA 6 -3.911 -5.149 -0.231
36 HA ALA 6 HA ALA 6 -2.393 -7.303 -1.218
37 1HB ALA 6 1HB ALA 6 -4.751 -6.374 -1.869
38 2HB ALA 6 3HB ALA 6 -3.711 -7.059 -3.141
39 3HB ALA 6 2HB ALA 6 -3.839 -5.294 -2.950
40 H CYS 7 H CYS 7 -1.597 -4.026 -0.669
41 HA CYS 7 HA CYS 7 0.113 -3.748 -2.950
42 1HB CYS 7 2HB CYS 7 0.768 -1.633 -1.947
43 2HB CYS 7 1HB CYS 7 -0.052 -2.048 -0.454
44 H GLY 8 H GLY 8 0.211 -4.988 0.354
45 1HA GLY 8 1HA GLY 8 1.864 -5.822 1.636
46 2HA GLY 8 2HA GLY 8 2.529 -6.412 0.126
47 HA PRO 9 HA PRO 9 5.873 -3.745 0.944
48 1HB PRO 9 1HB PRO 9 7.320 -4.178 -1.334
49 2HB PRO 9 2HB PRO 9 7.377 -5.244 0.055
50 1HG PRO 9 2HG PRO 9 6.443 -6.839 -1.325
51 2HG PRO 9 1HG PRO 9 6.017 -5.649 -2.538
52 1HD PRO 9 1HD PRO 9 3.836 -5.752 -1.819
53 2HD PRO 9 2HD PRO 9 4.286 -6.853 -0.533
54 H LYS 10 H LYS 10 3.388 -3.101 -0.969
55 HA LYS 10 HA LYS 10 4.637 -0.605 -1.889
56 1HB LYS 10 1HB LYS 10 3.939 -2.139 -3.713
57 2HB LYS 10 2HB LYS 10 2.293 -2.089 -3.113
58 1HG LYS 10 1HG LYS 10 3.113 0.633 -3.312
59 2HG LYS 10 2HG LYS 10 3.702 -0.141 -4.769
60 1HD LYS 10 1HD LYS 10 0.934 -0.932 -4.032
61 2HD LYS 10 2HD LYS 10 1.108 0.775 -4.386
62 1HE LYS 10 1HE LYS 10 2.285 0.144 -6.553
63 2HE LYS 10 2HE LYS 10 1.926 -1.537 -6.208
64 1HZ LYS 10 1HZ LYS 10 -0.217 0.444 -6.217
65 2HZ LYS 10 2HZ LYS 10 0.308 -0.208 -7.619
66 3HZ LYS 10 3HZ LYS 10 -0.315 -1.169 -6.454
67 H TYR 11 H TYR 11 2.874 -1.871 0.578
68 HA TYR 11 HA TYR 11 0.648 -0.112 0.642
69 1HB TYR 11 1HB TYR 11 0.808 -2.303 1.844
70 2HB TYR 11 2HB TYR 11 2.246 -1.767 2.688
71 HD1 TYR 11 HD1 TYR 11 -1.056 -0.067 2.148
72 HD2 TYR 11 HD2 TYR 11 1.736 -1.684 4.958
73 HE1 TYR 11 HE1 TYR 11 -2.491 0.776 4.070
74 HE2 TYR 11 HE2 TYR 11 0.292 -0.835 6.870
75 HH TYR 11 HH TYR 11 -1.606 0.062 7.428
76 H SER 12 H SER 12 0.643 2.034 1.072
77 HA SER 12 HA SER 12 2.563 2.985 3.011
78 1HB SER 12 1HB SER 12 2.853 3.430 0.206
79 2HB SER 12 2HB SER 12 2.309 4.951 0.885
80 HG SER 12 HG SER 12 4.778 4.122 0.879
81 H CYS 13 H CYS 13 0.470 2.930 4.257
82 HA CYS 13 HA CYS 13 -0.873 5.466 3.929
83 1HB CYS 13 1HB CYS 13 -2.307 4.110 2.596
84 2HB CYS 13 2HB CYS 13 -2.315 2.820 3.782
No H/Q in entry = 84
Start of MODEL 25
1 H1 ILE 1 H1 ILE 1 0.283 6.625 -3.409
2 H2 ILE 1 H2 ILE 1 1.756 6.994 -2.751
3 H3 ILE 1 H3 ILE 1 1.557 5.583 -3.594
4 HA ILE 1 HA ILE 1 1.522 4.863 -1.468
5 HB ILE 1 HB ILE 1 -0.010 6.150 0.189
6 1HG1 ILE 1 1HG1 ILE 1 0.549 8.444 -1.710
7 2HG1 ILE 1 2HG1 ILE 1 -0.958 7.505 -1.826
8 1HG2 ILE 1 1HG2 ILE 1 2.707 6.354 -0.545
9 2HG2 ILE 1 2HG2 ILE 1 2.144 8.033 -0.372
10 3HG2 ILE 1 3HG2 ILE 1 1.969 6.891 0.983
11 1HD1 ILE 1 1HD1 ILE 1 -0.866 7.957 0.865
12 2HD1 ILE 1 2HD1 ILE 1 -0.065 9.428 0.264
13 3HD1 ILE 1 3HD1 ILE 1 -1.708 9.022 -0.286
14 H CYS 2 H CYS 2 0.009 3.362 -0.588
15 HA CYS 2 HA CYS 2 -2.684 3.504 -1.640
16 1HB CYS 2 2HB CYS 2 -1.560 2.286 -3.388
17 2HB CYS 2 1HB CYS 2 -2.641 1.226 -2.507
18 H CYS 3 H CYS 3 -4.036 3.022 0.062
19 HA CYS 3 HA CYS 3 -2.823 1.813 2.398
20 1HB CYS 3 1HB CYS 3 -4.235 3.938 2.434
21 2HB CYS 3 2HB CYS 3 -5.625 2.908 2.157
22 H ASN 4 H ASN 4 -2.721 -0.214 0.812
23 HA ASN 4 HA ASN 4 -5.130 -1.730 1.381
24 1HB ASN 4 1HB ASN 4 -3.873 -1.190 -1.283
25 2HB ASN 4 2HB ASN 4 -4.281 -2.870 -0.996
26 2HD2 ASN 4 1HD2 ASN 4 -6.344 -3.535 -1.017
27 1HD2 ASN 4 2HD2 ASN 4 -7.720 -2.530 -1.324
28 HA PRO 5 HA PRO 5 -2.057 -4.605 2.629
29 1HB PRO 5 1HB PRO 5 -3.530 -6.901 2.790
30 2HB PRO 5 2HB PRO 5 -3.520 -5.679 4.046
31 1HG PRO 5 2HG PRO 5 -5.750 -5.366 3.545
32 2HG PRO 5 1HG PRO 5 -5.617 -6.266 2.048
33 1HD PRO 5 1HD PRO 5 -5.620 -4.277 0.895
34 2HD PRO 5 2HD PRO 5 -5.635 -3.376 2.398
35 H ALA 6 H ALA 6 -3.869 -5.177 -0.249
36 HA ALA 6 HA ALA 6 -2.352 -7.354 -1.166
37 1HB ALA 6 1HB ALA 6 -4.635 -6.086 -1.936
38 2HB ALA 6 2HB ALA 6 -3.493 -5.447 -3.144
39 3HB ALA 6 3HB ALA 6 -3.726 -7.203 -2.981
40 H CYS 7 H CYS 7 -1.749 -3.893 -0.949
41 HA CYS 7 HA CYS 7 0.142 -3.723 -3.009
42 1HB CYS 7 1HB CYS 7 -0.157 -2.052 -0.505
43 2HB CYS 7 2HB CYS 7 0.858 -1.647 -1.876
44 H GLY 8 H GLY 8 0.152 -4.937 0.319
45 1HA GLY 8 1HA GLY 8 1.765 -5.798 1.633
46 2HA GLY 8 2HA GLY 8 2.420 -6.442 0.142
47 HA PRO 9 HA PRO 9 5.850 -3.874 0.923
48 1HB PRO 9 1HB PRO 9 7.284 -4.386 -1.347
49 2HB PRO 9 2HB PRO 9 7.303 -5.436 0.055
50 1HG PRO 9 2HG PRO 9 6.318 -7.017 -1.306
51 2HG PRO 9 1HG PRO 9 5.933 -5.828 -2.536
52 1HD PRO 9 1HD PRO 9 3.750 -5.846 -1.819
53 2HD PRO 9 2HD PRO 9 4.159 -6.946 -0.517
54 H LYS 10 H LYS 10 3.385 -3.158 -0.977
55 HA LYS 10 HA LYS 10 4.722 -0.724 -1.938
56 1HB LYS 10 1HB LYS 10 3.955 -2.274 -3.733
57 2HB LYS 10 2HB LYS 10 2.314 -2.118 -3.142
58 1HG LYS 10 1HG LYS 10 3.209 0.549 -3.375
59 2HG LYS 10 2HG LYS 10 3.887 -0.249 -4.781
60 1HD LYS 10 1HD LYS 10 1.078 -1.026 -4.268
61 2HD LYS 10 2HD LYS 10 1.265 0.694 -4.544
62 1HE LYS 10 2HE LYS 10 2.907 -0.457 -6.514
63 2HE LYS 10 1HE LYS 10 1.317 0.235 -6.769
64 1HZ LYS 10 1HZ LYS 10 0.630 -2.132 -5.902
65 2HZ LYS 10 2HZ LYS 10 0.938 -1.844 -7.479
66 3HZ LYS 10 3HZ LYS 10 2.079 -2.537 -6.539
67 H TYR 11 H TYR 11 2.782 -1.976 0.468
68 HA TYR 11 HA TYR 11 0.660 -0.134 0.537
69 1HB TYR 11 1HB TYR 11 0.806 -2.310 1.787
70 2HB TYR 11 2HB TYR 11 2.235 -1.752 2.634
71 HD1 TYR 11 HD1 TYR 11 -1.320 -0.656 2.085
72 HD2 TYR 11 HD2 TYR 11 1.955 -1.014 4.814
73 HE1 TYR 11 HE1 TYR 11 -2.778 0.241 3.963
74 HE2 TYR 11 HE2 TYR 11 0.486 -0.115 6.683
75 HH TYR 11 HH TYR 11 -2.947 0.453 6.163
76 H SER 12 H SER 12 0.617 1.998 1.043
77 HA SER 12 HA SER 12 2.651 2.961 2.859
78 1HB SER 12 1HB SER 12 2.702 3.454 0.036
79 2HB SER 12 2HB SER 12 2.237 4.958 0.804
80 HG SER 12 HG SER 12 4.279 5.215 1.357
81 H CYS 13 H CYS 13 0.721 2.925 4.299
82 HA CYS 13 HA CYS 13 -0.728 5.410 4.038
83 1HB CYS 13 1HB CYS 13 -2.304 4.093 2.921
84 2HB CYS 13 2HB CYS 13 -2.049 2.712 3.970
No H/Q in entry = 84
Start of MODEL 26
1 H1 ILE 1 H1 ILE 1 0.892 6.416 -3.520
2 H2 ILE 1 H2 ILE 1 2.268 6.896 -2.732
3 H3 ILE 1 H3 ILE 1 2.255 5.477 -3.587
4 HA ILE 1 HA ILE 1 2.134 4.893 -1.366
5 HB ILE 1 HB ILE 1 -0.004 5.860 -0.151
6 1HG1 ILE 1 1HG1 ILE 1 0.668 8.195 -1.965
7 2HG1 ILE 1 2HG1 ILE 1 -0.627 7.046 -2.378
8 1HG2 ILE 1 1HG2 ILE 1 2.739 6.434 -0.166
9 2HG2 ILE 1 2HG2 ILE 1 1.961 8.030 -0.284
10 3HG2 ILE 1 3HG2 ILE 1 1.562 6.944 1.069
11 1HD1 ILE 1 1HD1 ILE 1 -0.461 8.452 0.313
12 2HD1 ILE 1 2HD1 ILE 1 -1.363 9.115 -1.070
13 3HD1 ILE 1 3HD1 ILE 1 -1.838 7.551 -0.366
14 H CYS 2 H CYS 2 0.198 3.614 -0.265
15 HA CYS 2 HA CYS 2 -1.903 2.916 -2.053
16 1HB CYS 2 1HB CYS 2 0.115 1.682 -2.970
17 2HB CYS 2 2HB CYS 2 0.123 0.749 -1.487
18 H CYS 3 H CYS 3 -3.464 3.054 -0.458
19 HA CYS 3 HA CYS 3 -2.815 2.073 2.184
20 1HB CYS 3 1HB CYS 3 -3.994 4.272 1.730
21 2HB CYS 3 2HB CYS 3 -5.398 3.335 1.258
22 H ASN 4 H ASN 4 -2.612 -0.164 0.957
23 HA ASN 4 HA ASN 4 -5.116 -1.492 1.415
24 1HB ASN 4 1HB ASN 4 -4.259 -0.862 -1.244
25 2HB ASN 4 2HB ASN 4 -3.929 -2.570 -1.036
26 2HD2 ASN 4 1HD2 ASN 4 -5.510 -3.955 -1.316
27 1HD2 ASN 4 2HD2 ASN 4 -7.207 -3.610 -1.350
28 HA PRO 5 HA PRO 5 -2.192 -4.480 2.747
29 1HB PRO 5 1HB PRO 5 -3.732 -6.734 2.873
30 2HB PRO 5 2HB PRO 5 -3.733 -5.502 4.120
31 1HG PRO 5 1HG PRO 5 -5.775 -6.050 2.053
32 2HG PRO 5 2HG PRO 5 -5.934 -5.134 3.539
33 1HD PRO 5 1HD PRO 5 -5.683 -4.071 0.887
34 2HD PRO 5 2HD PRO 5 -5.726 -3.159 2.382
35 H ALA 6 H ALA 6 -3.982 -5.137 -0.150
36 HA ALA 6 HA ALA 6 -2.347 -7.286 -0.978
37 1HB ALA 6 1HB ALA 6 -4.565 -5.645 -2.001
38 2HB ALA 6 2HB ALA 6 -3.420 -6.144 -3.269
39 3HB ALA 6 3HB ALA 6 -4.212 -7.371 -2.252
40 H CYS 7 H CYS 7 -1.701 -3.973 -0.539
41 HA CYS 7 HA CYS 7 -0.048 -3.585 -2.812
42 1HB CYS 7 2HB CYS 7 0.637 -1.534 -1.727
43 2HB CYS 7 1HB CYS 7 -0.055 -2.056 -0.204
44 H GLY 8 H GLY 8 0.249 -4.949 0.453
45 1HA GLY 8 1HA GLY 8 1.970 -5.866 1.577
46 2HA GLY 8 2HA GLY 8 2.536 -6.391 0.003
47 HA PRO 9 HA PRO 9 5.940 -3.773 0.745
48 1HB PRO 9 1HB PRO 9 7.267 -4.147 -1.615
49 2HB PRO 9 2HB PRO 9 7.387 -5.254 -0.263
50 1HG PRO 9 1HG PRO 9 5.894 -5.575 -2.794
51 2HG PRO 9 2HG PRO 9 6.375 -6.803 -1.639
52 1HD PRO 9 1HD PRO 9 3.753 -5.688 -1.968
53 2HD PRO 9 2HD PRO 9 4.260 -6.830 -0.740
54 H LYS 10 H LYS 10 3.367 -3.065 -1.028
55 HA LYS 10 HA LYS 10 4.581 -0.543 -1.925
56 1HB LYS 10 1HB LYS 10 3.801 -2.027 -3.762
57 2HB LYS 10 2HB LYS 10 2.181 -1.980 -3.097
58 1HG LYS 10 1HG LYS 10 3.047 0.740 -3.260
59 2HG LYS 10 2HG LYS 10 3.525 -0.010 -4.769
60 1HD LYS 10 1HD LYS 10 0.724 -0.369 -3.629
61 2HD LYS 10 2HD LYS 10 1.135 1.003 -4.639
62 1HE LYS 10 1HE LYS 10 2.167 -1.088 -6.134
63 2HE LYS 10 2HE LYS 10 0.781 -1.858 -5.387
64 1HZ LYS 10 1HZ LYS 10 0.213 0.749 -6.376
65 2HZ LYS 10 2HZ LYS 10 0.692 -0.282 -7.549
66 3HZ LYS 10 3HZ LYS 10 -0.594 -0.650 -6.612
67 H TYR 11 H TYR 11 2.811 -1.952 0.512
68 HA TYR 11 HA TYR 11 0.608 -0.231 0.751
69 1HB TYR 11 1HB TYR 11 0.980 -2.428 1.936
70 2HB TYR 11 2HB TYR 11 2.391 -1.769 2.739
71 HD1 TYR 11 HD1 TYR 11 -1.182 -0.674 2.289
72 HD2 TYR 11 HD2 TYR 11 2.061 -1.370 4.992
73 HE1 TYR 11 HE1 TYR 11 -2.634 0.074 4.236
74 HE2 TYR 11 HE2 TYR 11 0.597 -0.618 6.930
75 HH TYR 11 HH TYR 11 -1.906 -0.569 7.379
76 H SER 12 H SER 12 0.619 1.938 1.042
77 HA SER 12 HA SER 12 2.519 2.976 2.957
78 1HB SER 12 1HB SER 12 2.896 3.290 0.174
79 2HB SER 12 2HB SER 12 2.220 4.820 0.699
80 HG SER 12 HG SER 12 4.240 5.252 1.281
81 H CYS 13 H CYS 13 0.634 3.177 4.343
82 HA CYS 13 HA CYS 13 -0.888 5.554 3.727
83 1HB CYS 13 1HB CYS 13 -2.335 3.915 2.771
84 2HB CYS 13 2HB CYS 13 -2.175 2.857 4.157
No H/Q in entry = 84
Start of MODEL 27
1 H1 ILE 1 H1 ILE 1 0.268 6.357 -3.604
2 H2 ILE 1 H2 ILE 1 1.584 7.025 -2.855
3 H3 ILE 1 H3 ILE 1 1.712 5.547 -3.589
4 HA ILE 1 HA ILE 1 1.514 4.817 -1.529
5 HB ILE 1 HB ILE 1 -0.022 6.143 0.094
6 1HG1 ILE 1 1HG1 ILE 1 0.553 8.419 -1.811
7 2HG1 ILE 1 2HG1 ILE 1 -0.930 7.452 -1.995
8 1HG2 ILE 1 1HG2 ILE 1 2.689 6.288 -0.589
9 2HG2 ILE 1 2HG2 ILE 1 2.162 7.987 -0.562
10 3HG2 ILE 1 3HG2 ILE 1 1.938 6.963 0.876
11 1HD1 ILE 1 1HD1 ILE 1 -0.120 8.627 0.682
12 2HD1 ILE 1 2HD1 ILE 1 -1.067 9.562 -0.501
13 3HD1 ILE 1 3HD1 ILE 1 -1.721 8.046 0.164
14 H CYS 2 H CYS 2 0.004 3.333 -0.618
15 HA CYS 2 HA CYS 2 -2.692 3.449 -1.663
16 1HB CYS 2 1HB CYS 2 -2.630 1.123 -2.452
17 2HB CYS 2 2HB CYS 2 -1.627 2.202 -3.400
18 H CYS 3 H CYS 3 -4.048 2.963 0.038
19 HA CYS 3 HA CYS 3 -2.819 1.813 2.398
20 1HB CYS 3 1HB CYS 3 -4.246 3.931 2.396
21 2HB CYS 3 2HB CYS 3 -5.628 2.883 2.147
22 H ASN 4 H ASN 4 -2.703 -0.245 0.859
23 HA ASN 4 HA ASN 4 -5.093 -1.771 1.470
24 1HB ASN 4 1HB ASN 4 -3.759 -1.416 -1.230
25 2HB ASN 4 2HB ASN 4 -4.484 -2.968 -0.859
26 2HD2 ASN 4 1HD2 ASN 4 -5.351 -1.302 -2.905
27 1HD2 ASN 4 2HD2 ASN 4 -6.955 -0.739 -2.574
28 HA PRO 5 HA PRO 5 -1.974 -4.609 2.685
29 1HB PRO 5 1HB PRO 5 -3.418 -6.922 2.875
30 2HB PRO 5 2HB PRO 5 -3.407 -5.695 4.125
31 1HG PRO 5 1HG PRO 5 -5.522 -6.315 2.155
32 2HG PRO 5 2HG PRO 5 -5.646 -5.410 3.650
33 1HD PRO 5 1HD PRO 5 -5.563 -4.332 0.994
34 2HD PRO 5 2HD PRO 5 -5.570 -3.425 2.493
35 H ALA 6 H ALA 6 -3.807 -5.201 -0.173
36 HA ALA 6 HA ALA 6 -2.288 -7.371 -1.100
37 1HB ALA 6 1HB ALA 6 -4.588 -6.183 -1.850
38 2HB ALA 6 3HB ALA 6 -3.628 -7.197 -2.955
39 3HB ALA 6 2HB ALA 6 -3.488 -5.423 -3.025
40 H CYS 7 H CYS 7 -1.695 -3.907 -0.888
41 HA CYS 7 HA CYS 7 0.187 -3.741 -2.961
42 1HB CYS 7 1HB CYS 7 -0.133 -2.051 -0.472
43 2HB CYS 7 2HB CYS 7 0.898 -1.653 -1.832
44 H GLY 8 H GLY 8 0.210 -4.929 0.375
45 1HA GLY 8 1HA GLY 8 1.831 -5.770 1.694
46 2HA GLY 8 2HA GLY 8 2.489 -6.420 0.206
47 HA PRO 9 HA PRO 9 5.901 -3.822 0.962
48 1HB PRO 9 1HB PRO 9 7.334 -4.336 -1.308
49 2HB PRO 9 2HB PRO 9 7.363 -5.379 0.101
50 1HG PRO 9 2HG PRO 9 6.386 -6.974 -1.250
51 2HG PRO 9 1HG PRO 9 5.991 -5.794 -2.485
52 1HD PRO 9 1HD PRO 9 3.809 -5.824 -1.762
53 2HD PRO 9 2HD PRO 9 4.230 -6.914 -0.456
54 H LYS 10 H LYS 10 3.426 -3.134 -0.935
55 HA LYS 10 HA LYS 10 4.745 -0.697 -1.914
56 1HB LYS 10 1HB LYS 10 3.991 -2.238 -3.708
57 2HB LYS 10 2HB LYS 10 2.352 -2.139 -3.097
58 1HG LYS 10 1HG LYS 10 3.232 0.559 -3.345
59 2HG LYS 10 2HG LYS 10 3.796 -0.250 -4.793
60 1HD LYS 10 1HD LYS 10 0.979 -0.846 -3.934
61 2HD LYS 10 2HD LYS 10 1.284 0.764 -4.554
62 1HE LYS 10 1HE LYS 10 1.610 0.019 -6.702
63 2HE LYS 10 2HE LYS 10 2.532 -1.379 -6.187
64 1HZ LYS 10 1HZ LYS 10 -0.382 -1.183 -5.881
65 2HZ LYS 10 2HZ LYS 10 0.344 -1.879 -7.170
66 3HZ LYS 10 3HZ LYS 10 0.544 -2.513 -5.678
67 H TYR 11 H TYR 11 2.797 -1.961 0.492
68 HA TYR 11 HA TYR 11 0.672 -0.130 0.568
69 1HB TYR 11 1HB TYR 11 0.855 -2.293 1.839
70 2HB TYR 11 2HB TYR 11 2.280 -1.706 2.673
71 HD1 TYR 11 HD1 TYR 11 -1.176 -0.347 2.066
72 HD2 TYR 11 HD2 TYR 11 1.885 -1.268 4.909
73 HE1 TYR 11 HE1 TYR 11 -2.639 0.551 3.943
74 HE2 TYR 11 HE2 TYR 11 0.414 -0.367 6.775
75 HH TYR 11 HH TYR 11 -2.896 0.310 6.294
76 H SER 12 H SER 12 0.624 2.011 1.028
77 HA SER 12 HA SER 12 2.644 3.014 2.837
78 1HB SER 12 1HB SER 12 2.708 3.459 0.006
79 2HB SER 12 2HB SER 12 2.231 4.974 0.746
80 HG SER 12 HG SER 12 4.689 4.110 0.530
81 H CYS 13 H CYS 13 0.725 3.010 4.279
82 HA CYS 13 HA CYS 13 -0.748 5.473 3.955
83 1HB CYS 13 1HB CYS 13 -2.325 4.135 2.882
84 2HB CYS 13 2HB CYS 13 -2.038 2.763 3.933
No H/Q in entry = 84
Start of MODEL 28
1 H1 ILE 1 H1 ILE 1 0.609 6.471 -3.702
2 H2 ILE 1 H2 ILE 1 2.096 6.867 -3.090
3 H3 ILE 1 H3 ILE 1 1.869 5.404 -3.833
4 HA ILE 1 HA ILE 1 1.843 4.808 -1.678
5 HB ILE 1 HB ILE 1 0.330 6.283 -0.105
6 1HG1 ILE 1 1HG1 ILE 1 1.211 8.480 -1.960
7 2HG1 ILE 1 2HG1 ILE 1 -0.297 7.611 -2.331
8 1HG2 ILE 1 1HG2 ILE 1 3.084 6.197 -0.778
9 2HG2 ILE 1 2HG2 ILE 1 2.665 7.922 -0.637
10 3HG2 ILE 1 3HG2 ILE 1 2.358 6.818 0.724
11 1HD1 ILE 1 1HD1 ILE 1 0.270 8.711 0.440
12 2HD1 ILE 1 2HD1 ILE 1 -0.478 9.711 -0.828
13 3HD1 ILE 1 3HD1 ILE 1 -1.293 8.232 -0.265
14 H CYS 2 H CYS 2 0.284 3.446 -0.640
15 HA CYS 2 HA CYS 2 -2.388 3.569 -1.791
16 1HB CYS 2 2HB CYS 2 -0.581 1.813 -2.811
17 2HB CYS 2 1HB CYS 2 -2.321 1.611 -2.842
18 H CYS 3 H CYS 3 -3.878 2.007 -0.468
19 HA CYS 3 HA CYS 3 -2.855 1.698 2.248
20 1HB CYS 3 1HB CYS 3 -4.239 3.844 1.880
21 2HB CYS 3 2HB CYS 3 -5.621 2.774 1.742
22 H ASN 4 H ASN 4 -2.752 -0.470 0.764
23 HA ASN 4 HA ASN 4 -5.139 -1.919 1.525
24 1HB ASN 4 1HB ASN 4 -4.386 -1.300 -1.206
25 2HB ASN 4 2HB ASN 4 -4.168 -3.023 -0.969
26 2HD2 ASN 4 1HD2 ASN 4 -5.847 -3.965 -1.865
27 1HD2 ASN 4 2HD2 ASN 4 -7.518 -3.615 -1.570
28 HA PRO 5 HA PRO 5 -2.033 -4.812 2.632
29 1HB PRO 5 1HB PRO 5 -3.467 -7.132 2.804
30 2HB PRO 5 2HB PRO 5 -3.450 -5.919 4.070
31 1HG PRO 5 1HG PRO 5 -5.578 -6.523 2.109
32 2HG PRO 5 2HG PRO 5 -5.694 -5.638 3.616
33 1HD PRO 5 1HD PRO 5 -5.634 -4.526 0.973
34 2HD PRO 5 2HD PRO 5 -5.633 -3.638 2.484
35 H ALA 6 H ALA 6 -3.909 -5.419 -0.203
36 HA ALA 6 HA ALA 6 -2.359 -7.550 -1.167
37 1HB ALA 6 1HB ALA 6 -4.695 -6.350 -1.872
38 2HB ALA 6 3HB ALA 6 -3.777 -7.426 -2.954
39 3HB ALA 6 2HB ALA 6 -3.608 -5.661 -3.102
40 H CYS 7 H CYS 7 -1.727 -4.151 -0.786
41 HA CYS 7 HA CYS 7 0.076 -3.899 -2.954
42 1HB CYS 7 2HB CYS 7 0.728 -1.799 -1.900
43 2HB CYS 7 1HB CYS 7 -0.130 -2.235 -0.435
44 H GLY 8 H GLY 8 0.185 -5.022 0.425
45 1HA GLY 8 1HA GLY 8 1.825 -5.903 1.686
46 2HA GLY 8 2HA GLY 8 2.493 -6.504 0.181
47 HA PRO 9 HA PRO 9 5.835 -3.833 1.014
48 1HB PRO 9 1HB PRO 9 7.328 -4.341 -1.218
49 2HB PRO 9 2HB PRO 9 7.352 -5.365 0.204
50 1HG PRO 9 2HG PRO 9 6.443 -6.999 -1.146
51 2HG PRO 9 1HG PRO 9 6.046 -5.845 -2.404
52 1HD PRO 9 1HD PRO 9 3.849 -5.919 -1.728
53 2HD PRO 9 2HD PRO 9 4.268 -6.982 -0.399
54 H LYS 10 H LYS 10 3.385 -3.229 -0.944
55 HA LYS 10 HA LYS 10 4.673 -0.794 -1.966
56 1HB LYS 10 1HB LYS 10 3.869 -2.429 -3.686
57 2HB LYS 10 2HB LYS 10 2.238 -2.214 -3.082
58 1HG LYS 10 1HG LYS 10 3.064 0.418 -3.418
59 2HG LYS 10 2HG LYS 10 3.896 -0.384 -4.735
60 1HD LYS 10 2HD LYS 10 1.302 -1.502 -4.779
61 2HD LYS 10 1HD LYS 10 1.956 -0.330 -5.907
62 1HE LYS 10 1HE LYS 10 0.012 0.062 -3.699
63 2HE LYS 10 2HE LYS 10 1.278 1.273 -3.727
64 1HZ LYS 10 1HZ LYS 10 -0.091 0.551 -6.199
65 2HZ LYS 10 2HZ LYS 10 -0.784 1.604 -5.160
66 3HZ LYS 10 3HZ LYS 10 0.672 1.945 -5.819
67 H TYR 11 H TYR 11 2.762 -2.008 0.496
68 HA TYR 11 HA TYR 11 0.644 -0.159 0.552
69 1HB TYR 11 1HB TYR 11 0.837 -2.334 1.830
70 2HB TYR 11 2HB TYR 11 2.230 -1.710 2.692
71 HD1 TYR 11 HD1 TYR 11 -1.368 -0.834 2.068
72 HD2 TYR 11 HD2 TYR 11 1.907 -0.835 4.821
73 HE1 TYR 11 HE1 TYR 11 -2.893 0.065 3.894
74 HE2 TYR 11 HE2 TYR 11 0.372 0.063 6.637
75 HH TYR 11 HH TYR 11 -3.090 0.426 6.054
76 H SER 12 H SER 12 0.677 1.999 0.910
77 HA SER 12 HA SER 12 2.645 2.987 2.782
78 1HB SER 12 1HB SER 12 2.864 3.342 -0.059
79 2HB SER 12 2HB SER 12 2.420 4.896 0.618
80 HG SER 12 HG SER 12 4.625 3.249 1.529
81 H CYS 13 H CYS 13 0.606 3.054 4.084
82 HA CYS 13 HA CYS 13 -0.717 5.584 3.651
83 1HB CYS 13 1HB CYS 13 -2.264 4.302 2.458
84 2HB CYS 13 2HB CYS 13 -2.143 2.940 3.555
No H/Q in entry = 84
Start of MODEL 29
1 H1 ILE 1 H1 ILE 1 0.402 6.874 -3.336
2 H2 ILE 1 H2 ILE 1 1.820 7.465 -2.719
3 H3 ILE 1 H3 ILE 1 1.827 6.087 -3.637
4 HA ILE 1 HA ILE 1 2.016 5.233 -1.581
5 HB ILE 1 HB ILE 1 0.258 6.245 0.170
6 1HG1 ILE 1 1HG1 ILE 1 0.962 8.717 -1.422
7 2HG1 ILE 1 2HG1 ILE 1 -0.509 7.795 -1.812
8 1HG2 ILE 1 1HG2 ILE 1 3.006 6.432 -0.324
9 2HG2 ILE 1 2HG2 ILE 1 2.489 8.125 -0.140
10 3HG2 ILE 1 3HG2 ILE 1 2.168 6.950 1.158
11 1HD1 ILE 1 1HD1 ILE 1 -0.323 8.105 1.053
12 2HD1 ILE 1 2HD1 ILE 1 -0.141 9.699 0.282
13 3HD1 ILE 1 3HD1 ILE 1 -1.581 8.707 -0.053
14 H CYS 2 H CYS 2 0.937 3.359 -0.990
15 HA CYS 2 HA CYS 2 -1.629 3.012 -2.335
16 1HB CYS 2 1HB CYS 2 0.344 1.487 -2.812
17 2HB CYS 2 2HB CYS 2 0.145 0.854 -1.190
18 H CYS 3 H CYS 3 -3.417 2.036 -1.126
19 HA CYS 3 HA CYS 3 -3.029 2.079 1.770
20 1HB CYS 3 1HB CYS 3 -4.158 4.177 0.795
21 2HB CYS 3 2HB CYS 3 -5.535 3.141 0.482
22 H ASN 4 H ASN 4 -2.743 -0.313 1.056
23 HA ASN 4 HA ASN 4 -5.210 -1.604 1.527
24 1HB ASN 4 1HB ASN 4 -4.435 -1.216 -1.220
25 2HB ASN 4 2HB ASN 4 -4.163 -2.909 -0.859
26 2HD2 ASN 4 1HD2 ASN 4 -5.813 -3.769 -1.974
27 1HD2 ASN 4 2HD2 ASN 4 -7.493 -3.525 -1.627
28 HA PRO 5 HA PRO 5 -2.251 -4.525 2.917
29 1HB PRO 5 1HB PRO 5 -3.698 -6.841 3.027
30 2HB PRO 5 2HB PRO 5 -3.786 -5.596 4.257
31 1HG PRO 5 1HG PRO 5 -5.742 -6.253 2.139
32 2HG PRO 5 2HG PRO 5 -5.984 -5.328 3.607
33 1HD PRO 5 1HD PRO 5 -5.698 -4.287 0.950
34 2HD PRO 5 2HD PRO 5 -5.824 -3.358 2.431
35 H ALA 6 H ALA 6 -3.968 -5.384 0.012
36 HA ALA 6 HA ALA 6 -2.211 -7.441 -0.747
37 1HB ALA 6 1HB ALA 6 -4.445 -5.882 -1.877
38 2HB ALA 6 2HB ALA 6 -3.249 -6.400 -3.091
39 3HB ALA 6 3HB ALA 6 -4.050 -7.608 -2.057
40 H CYS 7 H CYS 7 -1.808 -4.028 -0.482
41 HA CYS 7 HA CYS 7 -0.120 -3.582 -2.664
42 1HB CYS 7 2HB CYS 7 0.551 -1.561 -1.507
43 2HB CYS 7 1HB CYS 7 -0.113 -2.153 0.002
44 H GLY 8 H GLY 8 0.302 -4.936 0.615
45 1HA GLY 8 1HA GLY 8 2.067 -5.850 1.668
46 2HA GLY 8 2HA GLY 8 2.568 -6.390 0.079
47 HA PRO 9 HA PRO 9 5.992 -3.756 0.657
48 1HB PRO 9 1HB PRO 9 7.232 -4.166 -1.743
49 2HB PRO 9 2HB PRO 9 7.405 -5.251 -0.378
50 1HG PRO 9 1HG PRO 9 5.822 -5.618 -2.847
51 2HG PRO 9 2HG PRO 9 6.348 -6.825 -1.691
52 1HD PRO 9 1HD PRO 9 3.712 -5.722 -1.942
53 2HD PRO 9 2HD PRO 9 4.267 -6.841 -0.712
54 H LYS 10 H LYS 10 3.349 -3.071 -1.004
55 HA LYS 10 HA LYS 10 4.526 -0.570 -2.004
56 1HB LYS 10 1HB LYS 10 3.578 -2.220 -3.710
57 2HB LYS 10 2HB LYS 10 1.998 -1.868 -3.039
58 1HG LYS 10 1HG LYS 10 3.256 0.665 -3.438
59 2HG LYS 10 2HG LYS 10 3.601 -0.272 -4.878
60 1HD LYS 10 1HD LYS 10 0.785 -0.393 -3.835
61 2HD LYS 10 2HD LYS 10 1.293 1.123 -4.553
62 1HE LYS 10 1HE LYS 10 1.707 0.135 -6.676
63 2HE LYS 10 2HE LYS 10 1.846 -1.479 -6.009
64 1HZ LYS 10 1HZ LYS 10 -0.685 -0.130 -5.651
65 2HZ LYS 10 2HZ LYS 10 -0.326 -0.637 -7.161
66 3HZ LYS 10 3HZ LYS 10 -0.378 -1.710 -5.932
67 H TYR 11 H TYR 11 2.754 -1.991 0.474
68 HA TYR 11 HA TYR 11 0.605 -0.246 0.794
69 1HB TYR 11 1HB TYR 11 1.100 -2.447 1.984
70 2HB TYR 11 2HB TYR 11 2.459 -1.688 2.791
71 HD1 TYR 11 HD1 TYR 11 -0.755 0.064 2.272
72 HD2 TYR 11 HD2 TYR 11 1.666 -2.138 5.028
73 HE1 TYR 11 HE1 TYR 11 -2.277 0.768 4.183
74 HE2 TYR 11 HE2 TYR 11 0.135 -1.427 6.929
75 HH TYR 11 HH TYR 11 -2.355 -0.731 7.069
76 H SER 12 H SER 12 0.610 1.926 1.064
77 HA SER 12 HA SER 12 2.588 3.000 2.878
78 1HB SER 12 1HB SER 12 2.595 3.418 -0.009
79 2HB SER 12 2HB SER 12 2.344 4.942 0.818
80 HG SER 12 HG SER 12 4.558 4.723 0.722
81 H CYS 13 H CYS 13 0.303 2.746 3.990
82 HA CYS 13 HA CYS 13 -0.920 5.358 3.839
83 1HB CYS 13 1HB CYS 13 -2.213 3.991 2.238
84 2HB CYS 13 2HB CYS 13 -2.570 2.843 3.513
No H/Q in entry = 84
Start of MODEL 30
1 H1 ILE 1 H1 ILE 1 0.148 6.769 -3.408
2 H2 ILE 1 H2 ILE 1 1.592 7.365 -2.856
3 H3 ILE 1 H3 ILE 1 1.559 5.973 -3.752
4 HA ILE 1 HA ILE 1 1.831 5.159 -1.686
5 HB ILE 1 HB ILE 1 0.126 6.191 0.104
6 1HG1 ILE 1 1HG1 ILE 1 0.762 8.635 -1.558
7 2HG1 ILE 1 2HG1 ILE 1 -0.722 7.702 -1.869
8 1HG2 ILE 1 1HG2 ILE 1 2.869 6.451 -0.555
9 2HG2 ILE 1 2HG2 ILE 1 2.291 8.102 -0.225
10 3HG2 ILE 1 3HG2 ILE 1 2.095 6.828 1.003
11 1HD1 ILE 1 1HD1 ILE 1 -0.060 8.443 0.972
12 2HD1 ILE 1 2HD1 ILE 1 -0.705 9.704 -0.108
13 3HD1 ILE 1 3HD1 ILE 1 -1.648 8.226 0.197
14 H CYS 2 H CYS 2 0.783 3.290 -1.027
15 HA CYS 2 HA CYS 2 -1.824 2.905 -2.278
16 1HB CYS 2 1HB CYS 2 0.140 1.382 -2.797
17 2HB CYS 2 2HB CYS 2 0.003 0.777 -1.158
18 H CYS 3 H CYS 3 -3.560 1.922 -0.993
19 HA CYS 3 HA CYS 3 -3.076 2.023 1.888
20 1HB CYS 3 1HB CYS 3 -4.251 4.098 0.920
21 2HB CYS 3 2HB CYS 3 -5.630 3.048 0.664
22 H ASN 4 H ASN 4 -2.798 -0.378 1.197
23 HA ASN 4 HA ASN 4 -5.235 -1.678 1.777
24 1HB ASN 4 1HB ASN 4 -4.564 -1.327 -1.001
25 2HB ASN 4 2HB ASN 4 -4.268 -3.013 -0.625
26 2HD2 ASN 4 1HD2 ASN 4 -6.239 -2.212 -2.368
27 1HD2 ASN 4 2HD2 ASN 4 -7.807 -2.560 -1.720
28 HA PRO 5 HA PRO 5 -2.206 -4.559 3.101
29 1HB PRO 5 1HB PRO 5 -3.631 -6.883 3.299
30 2HB PRO 5 2HB PRO 5 -3.685 -5.620 4.511
31 1HG PRO 5 1HG PRO 5 -5.710 -6.322 2.476
32 2HG PRO 5 2HG PRO 5 -5.906 -5.376 3.938
33 1HD PRO 5 1HD PRO 5 -5.725 -4.373 1.258
34 2HD PRO 5 2HD PRO 5 -5.803 -3.424 2.729
35 H ALA 6 H ALA 6 -4.022 -5.473 0.275
36 HA ALA 6 HA ALA 6 -2.277 -7.528 -0.519
37 1HB ALA 6 1HB ALA 6 -4.629 -7.154 -1.312
38 2HB ALA 6 3HB ALA 6 -3.459 -7.374 -2.635
39 3HB ALA 6 2HB ALA 6 -4.051 -5.744 -2.232
40 H CYS 7 H CYS 7 -1.881 -4.116 -0.303
41 HA CYS 7 HA CYS 7 -0.287 -3.684 -2.560
42 1HB CYS 7 2HB CYS 7 0.412 -1.642 -1.456
43 2HB CYS 7 1HB CYS 7 -0.191 -2.219 0.084
44 H GLY 8 H GLY 8 0.271 -4.985 0.721
45 1HA GLY 8 1HA GLY 8 2.081 -5.877 1.717
46 2HA GLY 8 2HA GLY 8 2.531 -6.428 0.114
47 HA PRO 9 HA PRO 9 5.947 -3.755 0.545
48 1HB PRO 9 1HB PRO 9 7.108 -4.183 -1.891
49 2HB PRO 9 2HB PRO 9 7.339 -5.249 -0.520
50 1HG PRO 9 1HG PRO 9 5.675 -5.661 -2.929
51 2HG PRO 9 2HG PRO 9 6.252 -6.849 -1.777
52 1HD PRO 9 1HD PRO 9 3.599 -5.774 -1.949
53 2HD PRO 9 2HD PRO 9 4.207 -6.873 -0.728
54 H LYS 10 H LYS 10 3.242 -3.116 -1.032
55 HA LYS 10 HA LYS 10 4.358 -0.618 -2.104
56 1HB LYS 10 1HB LYS 10 3.367 -2.288 -3.757
57 2HB LYS 10 2HB LYS 10 1.809 -1.961 -3.026
58 1HG LYS 10 1HG LYS 10 2.350 0.562 -3.436
59 2HG LYS 10 2HG LYS 10 3.630 -0.009 -4.487
60 1HD LYS 10 1HD LYS 10 1.176 -1.455 -5.089
61 2HD LYS 10 2HD LYS 10 0.850 0.267 -5.106
62 1HE LYS 10 1HE LYS 10 3.382 -0.559 -6.467
63 2HE LYS 10 2HE LYS 10 1.908 -1.118 -7.233
64 1HZ LYS 10 1HZ LYS 10 1.556 1.534 -6.497
65 2HZ LYS 10 2HZ LYS 10 2.984 1.428 -7.284
66 3HZ LYS 10 3HZ LYS 10 1.613 0.904 -8.002
67 H TYR 11 H TYR 11 2.687 -2.023 0.453
68 HA TYR 11 HA TYR 11 0.538 -0.291 0.834
69 1HB TYR 11 1HB TYR 11 1.106 -2.470 2.036
70 2HB TYR 11 2HB TYR 11 2.483 -1.683 2.782
71 HD1 TYR 11 HD1 TYR 11 1.864 0.545 4.142
72 HD2 TYR 11 HD2 TYR 11 -0.859 -2.635 3.261
73 HE1 TYR 11 HE1 TYR 11 0.392 1.257 6.091
74 HE2 TYR 11 HE2 TYR 11 -2.321 -1.914 5.212
75 HH TYR 11 HH TYR 11 -2.564 -0.558 6.871
76 H SER 12 H SER 12 0.538 1.886 1.061
77 HA SER 12 HA SER 12 2.566 3.005 2.790
78 1HB SER 12 1HB SER 12 2.473 3.373 -0.103
79 2HB SER 12 2HB SER 12 2.238 4.910 0.706
80 HG SER 12 HG SER 12 4.323 3.211 1.665
81 H CYS 13 H CYS 13 0.325 2.757 3.983
82 HA CYS 13 HA CYS 13 -0.927 5.356 3.823
83 1HB CYS 13 1HB CYS 13 -2.267 3.960 2.298
84 2HB CYS 13 2HB CYS 13 -2.555 2.816 3.594
No H/Q in entry = 84
Start of MODEL 31
1 H1 ILE 1 H1 ILE 1 0.233 6.755 -3.458
2 H2 ILE 1 H2 ILE 1 1.678 7.346 -2.904
3 H3 ILE 1 H3 ILE 1 1.640 5.950 -3.794
4 HA ILE 1 HA ILE 1 1.903 5.148 -1.722
5 HB ILE 1 HB ILE 1 0.188 6.189 0.054
6 1HG1 ILE 1 1HG1 ILE 1 0.834 8.623 -1.620
7 2HG1 ILE 1 2HG1 ILE 1 -0.651 7.690 -1.928
8 1HG2 ILE 1 1HG2 ILE 1 2.908 6.331 -0.461
9 2HG2 ILE 1 2HG2 ILE 1 2.434 8.046 -0.417
10 3HG2 ILE 1 3HG2 ILE 1 2.100 6.995 0.979
11 1HD1 ILE 1 1HD1 ILE 1 -0.982 7.876 0.676
12 2HD1 ILE 1 2HD1 ILE 1 0.156 9.238 0.539
13 3HD1 ILE 1 3HD1 ILE 1 -1.383 9.269 -0.357
14 H CYS 2 H CYS 2 0.850 3.282 -1.059
15 HA CYS 2 HA CYS 2 -1.749 2.892 -2.326
16 1HB CYS 2 1HB CYS 2 0.218 1.366 -2.821
17 2HB CYS 2 2HB CYS 2 0.066 0.769 -1.181
18 H CYS 3 H CYS 3 -3.490 1.902 -1.045
19 HA CYS 3 HA CYS 3 -3.027 2.023 1.837
20 1HB CYS 3 1HB CYS 3 -4.193 4.095 0.855
21 2HB CYS 3 2HB CYS 3 -5.572 3.046 0.592
22 H ASN 4 H ASN 4 -2.745 -0.382 1.151
23 HA ASN 4 HA ASN 4 -5.184 -1.680 1.730
24 1HB ASN 4 1HB ASN 4 -4.456 -1.361 -1.060
25 2HB ASN 4 2HB ASN 4 -4.266 -3.053 -0.647
26 2HD2 ASN 4 1HD2 ASN 4 -6.219 -1.710 -2.352
27 1HD2 ASN 4 2HD2 ASN 4 -7.793 -2.114 -1.752
28 HA PRO 5 HA PRO 5 -2.153 -4.556 3.060
29 1HB PRO 5 1HB PRO 5 -3.585 -6.872 3.284
30 2HB PRO 5 2HB PRO 5 -3.627 -5.600 4.489
31 1HG PRO 5 2HG PRO 5 -5.850 -5.352 3.927
32 2HG PRO 5 1HG PRO 5 -5.667 -6.310 2.471
33 1HD PRO 5 1HD PRO 5 -5.682 -4.369 1.238
34 2HD PRO 5 2HD PRO 5 -5.749 -3.409 2.703
35 H ALA 6 H ALA 6 -3.975 -5.448 0.237
36 HA ALA 6 HA ALA 6 -2.255 -7.531 -0.549
37 1HB ALA 6 1HB ALA 6 -4.495 -5.939 -1.668
38 2HB ALA 6 2HB ALA 6 -3.369 -6.608 -2.874
39 3HB ALA 6 3HB ALA 6 -4.194 -7.692 -1.728
40 H CYS 7 H CYS 7 -1.783 -4.148 -0.292
41 HA CYS 7 HA CYS 7 -0.180 -3.753 -2.572
42 1HB CYS 7 1HB CYS 7 -0.131 -2.226 0.037
43 2HB CYS 7 2HB CYS 7 0.504 -1.687 -1.505
44 H GLY 8 H GLY 8 0.309 -5.000 0.737
45 1HA GLY 8 1HA GLY 8 2.097 -5.870 1.788
46 2HA GLY 8 2HA GLY 8 2.579 -6.449 0.206
47 HA PRO 9 HA PRO 9 5.988 -3.772 0.657
48 1HB PRO 9 1HB PRO 9 7.195 -4.239 -1.750
49 2HB PRO 9 2HB PRO 9 7.399 -5.284 -0.359
50 1HG PRO 9 2HG PRO 9 6.334 -6.902 -1.611
51 2HG PRO 9 1HG PRO 9 5.780 -5.732 -2.791
52 1HD PRO 9 1HD PRO 9 3.685 -5.828 -1.850
53 2HD PRO 9 2HD PRO 9 4.269 -6.908 -0.600
54 H LYS 10 H LYS 10 3.314 -3.157 -0.983
55 HA LYS 10 HA LYS 10 4.454 -0.675 -2.070
56 1HB LYS 10 1HB LYS 10 3.510 -2.349 -3.730
57 2HB LYS 10 2HB LYS 10 1.935 -2.057 -3.023
58 1HG LYS 10 1HG LYS 10 2.881 0.533 -3.431
59 2HG LYS 10 2HG LYS 10 3.551 -0.323 -4.805
60 1HD LYS 10 1HD LYS 10 1.220 -1.264 -5.255
61 2HD LYS 10 2HD LYS 10 0.610 -0.214 -3.992
62 1HE LYS 10 1HE LYS 10 0.314 1.274 -5.716
63 2HE LYS 10 2HE LYS 10 2.011 1.622 -5.456
64 1HZ LYS 10 1HZ LYS 10 2.132 -0.496 -7.056
65 2HZ LYS 10 2HZ LYS 10 0.767 0.210 -7.608
66 3HZ LYS 10 3HZ LYS 10 2.167 1.049 -7.584
67 H TYR 11 H TYR 11 2.758 -2.027 0.489
68 HA TYR 11 HA TYR 11 0.595 -0.286 0.794
69 1HB TYR 11 1HB TYR 11 1.108 -2.452 2.031
70 2HB TYR 11 2HB TYR 11 2.487 -1.681 2.789
71 HD1 TYR 11 HD1 TYR 11 -1.124 -0.737 2.317
72 HD2 TYR 11 HD2 TYR 11 2.137 -1.262 5.036
73 HE1 TYR 11 HE1 TYR 11 -2.598 0.023 4.244
74 HE2 TYR 11 HE2 TYR 11 0.652 -0.500 6.954
75 HH TYR 11 HH TYR 11 -2.776 -0.011 6.493
76 H SER 12 H SER 12 0.590 1.889 1.028
77 HA SER 12 HA SER 12 2.605 3.012 2.768
78 1HB SER 12 1HB SER 12 2.536 3.370 -0.127
79 2HB SER 12 2HB SER 12 2.292 4.910 0.674
80 HG SER 12 HG SER 12 4.585 4.244 0.253
81 H CYS 13 H CYS 13 0.357 2.772 3.949
82 HA CYS 13 HA CYS 13 -0.891 5.370 3.771
83 1HB CYS 13 1HB CYS 13 -2.225 3.974 2.241
84 2HB CYS 13 2HB CYS 13 -2.518 2.830 3.535
No H/Q in entry = 84
Start of MODEL 32
1 H1 ILE 1 H1 ILE 1 -0.113 7.005 -3.197
2 H2 ILE 1 H2 ILE 1 1.422 7.454 -2.771
3 H3 ILE 1 H3 ILE 1 1.182 6.109 -3.706
4 HA ILE 1 HA ILE 1 1.637 5.283 -1.635
5 HB ILE 1 HB ILE 1 -0.053 6.234 0.222
6 1HG1 ILE 1 1HG1 ILE 1 0.501 8.681 -1.490
7 2HG1 ILE 1 2HG1 ILE 1 -1.031 7.779 -1.593
8 1HG2 ILE 1 1HG2 ILE 1 2.654 6.428 -0.359
9 2HG2 ILE 1 2HG2 ILE 1 2.159 8.134 -0.231
10 3HG2 ILE 1 3HG2 ILE 1 1.875 7.020 1.128
11 1HD1 ILE 1 1HD1 ILE 1 0.036 8.661 1.096
12 2HD1 ILE 1 2HD1 ILE 1 -0.849 9.812 0.064
13 3HD1 ILE 1 3HD1 ILE 1 -1.642 8.314 0.611
14 H CYS 2 H CYS 2 0.643 3.376 -0.997
15 HA CYS 2 HA CYS 2 -1.985 2.969 -2.194
16 1HB CYS 2 1HB CYS 2 -0.001 1.501 -2.796
17 2HB CYS 2 2HB CYS 2 -0.093 0.850 -1.172
18 H CYS 3 H CYS 3 -3.641 1.832 -0.890
19 HA CYS 3 HA CYS 3 -3.098 1.898 1.978
20 1HB CYS 3 1HB CYS 3 -4.333 3.977 1.124
21 2HB CYS 3 2HB CYS 3 -5.695 2.914 0.831
22 H ASN 4 H ASN 4 -2.782 -0.472 1.076
23 HA ASN 4 HA ASN 4 -5.149 -1.862 1.756
24 1HB ASN 4 2HB ASN 4 -5.347 -3.161 -0.358
25 2HB ASN 4 1HB ASN 4 -4.016 -2.264 -1.063
26 2HD2 ASN 4 1HD2 ASN 4 -4.250 -0.016 -1.469
27 1HD2 ASN 4 2HD2 ASN 4 -5.804 0.694 -1.754
28 HA PRO 5 HA PRO 5 -1.948 -4.686 2.760
29 1HB PRO 5 1HB PRO 5 -3.332 -7.020 3.090
30 2HB PRO 5 2HB PRO 5 -3.262 -5.767 4.312
31 1HG PRO 5 1HG PRO 5 -5.489 -6.467 2.498
32 2HG PRO 5 2HG PRO 5 -5.533 -5.533 3.981
33 1HD PRO 5 1HD PRO 5 -5.644 -4.509 1.303
34 2HD PRO 5 2HD PRO 5 -5.571 -3.571 2.782
35 H ALA 6 H ALA 6 -3.936 -5.340 0.029
36 HA ALA 6 HA ALA 6 -2.411 -7.502 -0.946
37 1HB ALA 6 2HB ALA 6 -4.021 -5.544 -2.609
38 2HB ALA 6 1HB ALA 6 -4.801 -6.742 -1.549
39 3HB ALA 6 3HB ALA 6 -3.757 -7.282 -2.886
40 H CYS 7 H CYS 7 -1.657 -4.209 -0.492
41 HA CYS 7 HA CYS 7 -0.051 -3.933 -2.847
42 1HB CYS 7 2HB CYS 7 0.616 -1.794 -1.887
43 2HB CYS 7 1HB CYS 7 -0.160 -2.201 -0.369
44 H GLY 8 H GLY 8 0.216 -5.084 0.488
45 1HA GLY 8 1HA GLY 8 1.941 -5.860 1.713
46 2HA GLY 8 2HA GLY 8 2.533 -6.496 0.190
47 HA PRO 9 HA PRO 9 5.890 -3.776 0.734
48 1HB PRO 9 1HB PRO 9 7.205 -4.256 -1.613
49 2HB PRO 9 2HB PRO 9 7.353 -5.286 -0.203
50 1HG PRO 9 2HG PRO 9 6.357 -6.924 -1.485
51 2HG PRO 9 1HG PRO 9 5.849 -5.769 -2.702
52 1HD PRO 9 1HD PRO 9 3.715 -5.870 -1.853
53 2HD PRO 9 2HD PRO 9 4.249 -6.935 -0.568
54 H LYS 10 H LYS 10 3.290 -3.199 -1.039
55 HA LYS 10 HA LYS 10 4.457 -0.713 -2.086
56 1HB LYS 10 1HB LYS 10 3.679 -2.322 -3.827
57 2HB LYS 10 2HB LYS 10 2.062 -2.230 -3.159
58 1HG LYS 10 1HG LYS 10 2.825 0.470 -3.462
59 2HG LYS 10 2HG LYS 10 3.474 -0.314 -4.888
60 1HD LYS 10 1HD LYS 10 0.846 -1.389 -4.497
61 2HD LYS 10 2HD LYS 10 0.711 0.344 -4.274
62 1HE LYS 10 2HE LYS 10 2.021 0.625 -6.467
63 2HE LYS 10 1HE LYS 10 0.399 -0.019 -6.625
64 1HZ LYS 10 1HZ LYS 10 1.687 -2.254 -6.365
65 2HZ LYS 10 2HZ LYS 10 1.558 -1.520 -7.817
66 3HZ LYS 10 3HZ LYS 10 2.934 -1.375 -6.949
67 H TYR 11 H TYR 11 2.803 -1.970 0.476
68 HA TYR 11 HA TYR 11 0.557 -0.263 0.624
69 1HB TYR 11 1HB TYR 11 0.902 -2.408 1.895
70 2HB TYR 11 2HB TYR 11 2.337 -1.747 2.656
71 HD1 TYR 11 HD1 TYR 11 1.920 0.512 4.027
72 HD2 TYR 11 HD2 TYR 11 -1.096 -2.373 3.084
73 HE1 TYR 11 HE1 TYR 11 0.499 1.355 5.960
74 HE2 TYR 11 HE2 TYR 11 -2.506 -1.520 5.020
75 HH TYR 11 HH TYR 11 -1.478 1.294 6.895
76 H SER 12 H SER 12 0.474 1.890 1.007
77 HA SER 12 HA SER 12 2.500 2.990 2.751
78 1HB SER 12 1HB SER 12 2.361 3.454 -0.125
79 2HB SER 12 2HB SER 12 2.097 4.957 0.735
80 HG SER 12 HG SER 12 4.099 4.064 2.058
81 H CYS 13 H CYS 13 0.324 2.690 4.006
82 HA CYS 13 HA CYS 13 -1.012 5.249 3.914
83 1HB CYS 13 1HB CYS 13 -2.376 3.869 2.423
84 2HB CYS 13 2HB CYS 13 -2.544 2.652 3.672
No H/Q in entry = 84
Start of MODEL 33
1 H1 ILE 1 H1 ILE 1 0.527 6.396 -3.622
2 H2 ILE 1 H2 ILE 1 1.686 7.339 -2.908
3 H3 ILE 1 H3 ILE 1 2.103 5.893 -3.600
4 HA ILE 1 HA ILE 1 2.022 5.101 -1.580
5 HB ILE 1 HB ILE 1 0.559 6.270 0.172
6 1HG1 ILE 1 1HG1 ILE 1 0.551 8.688 -1.563
7 2HG1 ILE 1 2HG1 ILE 1 -0.629 7.428 -1.998
8 1HG2 ILE 1 1HG2 ILE 1 2.830 7.640 -1.309
9 2HG2 ILE 1 2HG2 ILE 1 2.143 8.304 0.192
10 3HG2 ILE 1 3HG2 ILE 1 2.907 6.696 0.198
11 1HD1 ILE 1 1HD1 ILE 1 -0.276 8.569 0.806
12 2HD1 ILE 1 2HD1 ILE 1 -1.524 9.099 -0.348
13 3HD1 ILE 1 3HD1 ILE 1 -1.533 7.429 0.269
14 H CYS 2 H CYS 2 0.914 3.277 -0.980
15 HA CYS 2 HA CYS 2 -1.726 3.001 -2.192
16 1HB CYS 2 1HB CYS 2 0.167 1.397 -2.744
17 2HB CYS 2 2HB CYS 2 0.021 0.792 -1.106
18 H CYS 3 H CYS 3 -3.258 1.526 -0.797
19 HA CYS 3 HA CYS 3 -2.780 1.762 2.036
20 1HB CYS 3 1HB CYS 3 -3.874 3.929 1.200
21 2HB CYS 3 2HB CYS 3 -5.312 2.964 0.931
22 H ASN 4 H ASN 4 -2.644 -0.622 1.237
23 HA ASN 4 HA ASN 4 -5.119 -1.825 1.863
24 1HB ASN 4 1HB ASN 4 -4.583 -1.369 -0.915
25 2HB ASN 4 2HB ASN 4 -4.283 -3.074 -0.649
26 2HD2 ASN 4 1HD2 ASN 4 -6.021 -3.923 -1.615
27 1HD2 ASN 4 2HD2 ASN 4 -7.665 -3.686 -1.125
28 HA PRO 5 HA PRO 5 -2.226 -4.955 2.898
29 1HB PRO 5 1HB PRO 5 -3.715 -7.245 2.857
30 2HB PRO 5 2HB PRO 5 -3.753 -6.102 4.184
31 1HG PRO 5 1HG PRO 5 -5.766 -6.551 2.068
32 2HG PRO 5 2HG PRO 5 -5.958 -5.743 3.611
33 1HD PRO 5 1HD PRO 5 -5.712 -4.496 1.040
34 2HD PRO 5 2HD PRO 5 -5.786 -3.689 2.593
35 H ALA 6 H ALA 6 -4.037 -5.574 -0.016
36 HA ALA 6 HA ALA 6 -2.319 -7.578 -0.978
37 1HB ALA 6 1HB ALA 6 -4.712 -6.912 -1.701
38 2HB ALA 6 3HB ALA 6 -3.562 -7.370 -2.981
39 3HB ALA 6 2HB ALA 6 -3.924 -5.652 -2.681
40 H CYS 7 H CYS 7 -1.868 -4.207 -0.456
41 HA CYS 7 HA CYS 7 -0.169 -3.711 -2.666
42 1HB CYS 7 1HB CYS 7 -0.330 -2.223 -0.038
43 2HB CYS 7 2HB CYS 7 0.389 -1.644 -1.527
44 H GLY 8 H GLY 8 0.142 -4.976 0.662
45 1HA GLY 8 1HA GLY 8 1.898 -5.759 1.836
46 2HA GLY 8 2HA GLY 8 2.439 -6.401 0.298
47 HA PRO 9 HA PRO 9 5.831 -3.706 0.745
48 1HB PRO 9 1HB PRO 9 7.088 -4.222 -1.626
49 2HB PRO 9 2HB PRO 9 7.261 -5.238 -0.209
50 1HG PRO 9 1HG PRO 9 5.696 -5.734 -2.667
51 2HG PRO 9 2HG PRO 9 6.224 -6.881 -1.451
52 1HD PRO 9 1HD PRO 9 3.582 -5.811 -1.769
53 2HD PRO 9 2HD PRO 9 4.137 -6.866 -0.485
54 H LYS 10 H LYS 10 3.191 -3.113 -0.944
55 HA LYS 10 HA LYS 10 4.359 -0.674 -2.094
56 1HB LYS 10 1HB LYS 10 3.375 -2.382 -3.696
57 2HB LYS 10 2HB LYS 10 1.809 -2.041 -2.987
58 1HG LYS 10 1HG LYS 10 2.632 0.517 -3.460
59 2HG LYS 10 2HG LYS 10 3.531 -0.300 -4.723
60 1HD LYS 10 1HD LYS 10 1.000 -1.479 -4.913
61 2HD LYS 10 2HD LYS 10 0.621 0.182 -4.503
62 1HE LYS 10 1HE LYS 10 2.660 -0.395 -6.673
63 2HE LYS 10 2HE LYS 10 0.951 -0.505 -7.041
64 1HZ LYS 10 1HZ LYS 10 2.269 1.853 -5.884
65 2HZ LYS 10 2HZ LYS 10 1.822 1.692 -7.446
66 3HZ LYS 10 3HZ LYS 10 0.687 1.747 -6.273
67 H TYR 11 H TYR 11 2.618 -1.942 0.495
68 HA TYR 11 HA TYR 11 0.542 -0.059 0.740
69 1HB TYR 11 1HB TYR 11 0.852 -2.306 1.925
70 2HB TYR 11 2HB TYR 11 2.226 -1.639 2.784
71 HD1 TYR 11 HD1 TYR 11 -0.740 0.445 2.185
72 HD2 TYR 11 HD2 TYR 11 1.218 -2.162 4.955
73 HE1 TYR 11 HE1 TYR 11 -2.284 1.244 4.042
74 HE2 TYR 11 HE2 TYR 11 -0.332 -1.356 6.801
75 HH TYR 11 HH TYR 11 -1.761 0.261 7.369
76 H SER 12 H SER 12 0.701 2.100 1.055
77 HA SER 12 HA SER 12 2.744 2.998 2.892
78 1HB SER 12 1HB SER 12 2.836 3.420 0.023
79 2HB SER 12 2HB SER 12 2.614 4.966 0.819
80 HG SER 12 HG SER 12 4.907 3.969 0.490
81 H CYS 13 H CYS 13 0.411 2.877 3.961
82 HA CYS 13 HA CYS 13 -0.593 5.584 3.881
83 1HB CYS 13 1HB CYS 13 -2.084 4.735 2.296
84 2HB CYS 13 2HB CYS 13 -2.238 3.191 3.111
No H/Q in entry = 84
Start of MODEL 34
1 H1 ILE 1 H1 ILE 1 -0.024 6.835 -3.117
2 H2 ILE 1 H2 ILE 1 1.214 7.553 -2.283
3 H3 ILE 1 H3 ILE 1 1.528 6.294 -3.312
4 HA ILE 1 HA ILE 1 1.634 5.299 -1.300
5 HB ILE 1 HB ILE 1 -0.444 5.778 0.277
6 1HG1 ILE 1 1HG1 ILE 1 -0.215 8.479 -1.053
7 2HG1 ILE 1 2HG1 ILE 1 -1.356 7.274 -1.695
8 1HG2 ILE 1 1HG2 ILE 1 2.204 6.915 -0.080
9 2HG2 ILE 1 2HG2 ILE 1 1.102 8.133 0.604
10 3HG2 ILE 1 3HG2 ILE 1 1.325 6.572 1.429
11 1HD1 ILE 1 1HD1 ILE 1 -2.336 7.039 0.596
12 2HD1 ILE 1 2HD1 ILE 1 -1.250 8.331 1.162
13 3HD1 ILE 1 3HD1 ILE 1 -2.499 8.688 -0.053
14 H CYS 2 H CYS 2 0.061 3.590 -0.251
15 HA CYS 2 HA CYS 2 -2.072 2.879 -2.069
16 1HB CYS 2 1HB CYS 2 0.075 1.862 -2.949
17 2HB CYS 2 2HB CYS 2 0.127 0.890 -1.492
18 H CYS 3 H CYS 3 -3.551 3.144 -0.344
19 HA CYS 3 HA CYS 3 -2.942 1.972 2.202
20 1HB CYS 3 1HB CYS 3 -4.857 3.886 1.134
21 2HB CYS 3 2HB CYS 3 -5.626 2.726 2.199
22 H ASN 4 H ASN 4 -2.661 -0.209 0.918
23 HA ASN 4 HA ASN 4 -5.120 -1.630 1.290
24 1HB ASN 4 1HB ASN 4 -3.850 -1.163 -1.398
25 2HB ASN 4 2HB ASN 4 -4.393 -2.799 -1.082
26 2HD2 ASN 4 1HD2 ASN 4 -6.593 -2.534 0.416
27 1HD2 ASN 4 2HD2 ASN 4 -7.854 -1.688 -0.418
28 HA PRO 5 HA PRO 5 -2.059 -4.537 2.495
29 1HB PRO 5 1HB PRO 5 -3.562 -6.809 2.708
30 2HB PRO 5 2HB PRO 5 -3.505 -5.577 3.953
31 1HG PRO 5 1HG PRO 5 -5.656 -6.148 2.007
32 2HG PRO 5 2HG PRO 5 -5.740 -5.235 3.501
33 1HD PRO 5 1HD PRO 5 -5.655 -4.168 0.840
34 2HD PRO 5 2HD PRO 5 -5.623 -3.256 2.335
35 H ALA 6 H ALA 6 -3.941 -5.096 -0.339
36 HA ALA 6 HA ALA 6 -2.472 -7.303 -1.272
37 1HB ALA 6 3HB ALA 6 -4.652 -6.820 -2.164
38 2HB ALA 6 2HB ALA 6 -3.484 -6.581 -3.486
39 3HB ALA 6 1HB ALA 6 -4.164 -5.174 -2.633
40 H CYS 7 H CYS 7 -1.585 -4.038 -0.746
41 HA CYS 7 HA CYS 7 0.187 -3.832 -2.977
42 1HB CYS 7 2HB CYS 7 0.916 -1.754 -1.944
43 2HB CYS 7 1HB CYS 7 0.051 -2.143 -0.472
44 H GLY 8 H GLY 8 0.186 -5.076 0.332
45 1HA GLY 8 1HA GLY 8 1.785 -5.979 1.636
46 2HA GLY 8 2HA GLY 8 2.432 -6.613 0.136
47 HA PRO 9 HA PRO 9 5.901 -4.107 0.935
48 1HB PRO 9 1HB PRO 9 7.303 -4.572 -1.364
49 2HB PRO 9 2HB PRO 9 7.322 -5.663 0.007
50 1HG PRO 9 1HG PRO 9 5.920 -5.961 -2.578
51 2HG PRO 9 2HG PRO 9 6.301 -7.189 -1.389
52 1HD PRO 9 1HD PRO 9 3.744 -5.970 -1.838
53 2HD PRO 9 2HD PRO 9 4.152 -7.113 -0.574
54 H LYS 10 H LYS 10 3.436 -3.327 -0.967
55 HA LYS 10 HA LYS 10 4.779 -0.844 -1.787
56 1HB LYS 10 1HB LYS 10 4.127 -2.351 -3.678
57 2HB LYS 10 2HB LYS 10 2.454 -2.205 -3.178
58 1HG LYS 10 1HG LYS 10 3.320 0.461 -3.260
59 2HG LYS 10 2HG LYS 10 4.156 -0.265 -4.617
60 1HD LYS 10 1HD LYS 10 1.218 -0.874 -4.240
61 2HD LYS 10 2HD LYS 10 1.672 0.694 -4.880
62 1HE LYS 10 1HE LYS 10 3.158 -0.623 -6.574
63 2HE LYS 10 2HE LYS 10 2.270 -2.046 -6.065
64 1HZ LYS 10 1HZ LYS 10 0.259 -0.484 -6.527
65 2HZ LYS 10 2HZ LYS 10 1.316 0.268 -7.519
66 3HZ LYS 10 3HZ LYS 10 0.972 -1.313 -7.740
67 H TYR 11 H TYR 11 2.845 -2.176 0.526
68 HA TYR 11 HA TYR 11 0.588 -0.539 0.574
69 1HB TYR 11 1HB TYR 11 0.949 -2.598 1.942
70 2HB TYR 11 2HB TYR 11 2.365 -1.892 2.694
71 HD1 TYR 11 HD1 TYR 11 2.006 0.225 4.155
72 HD2 TYR 11 HD2 TYR 11 -1.161 -2.390 2.956
73 HE1 TYR 11 HE1 TYR 11 0.555 1.100 6.051
74 HE2 TYR 11 HE2 TYR 11 -2.601 -1.506 4.857
75 HH TYR 11 HH TYR 11 -1.515 -0.053 7.412
76 H SER 12 H SER 12 0.393 1.624 0.830
77 HA SER 12 HA SER 12 2.233 2.898 2.658
78 1HB SER 12 1HB SER 12 2.268 3.243 -0.247
79 2HB SER 12 2HB SER 12 1.925 4.766 0.551
80 HG SER 12 HG SER 12 4.062 3.116 1.526
81 H CYS 13 H CYS 13 0.920 3.898 4.137
82 HA CYS 13 HA CYS 13 -1.629 4.933 3.129
83 1HB CYS 13 1HB CYS 13 -0.859 3.544 5.637
84 2HB CYS 13 2HB CYS 13 -2.005 4.859 5.797
No H/Q in entry = 84
Start of MODEL 35
1 H1 ILE 1 H1 ILE 1 0.975 5.998 -3.308
2 H2 ILE 1 H2 ILE 1 0.788 7.347 -2.368
3 H3 ILE 1 H3 ILE 1 2.258 6.590 -2.445
4 HA ILE 1 HA ILE 1 1.770 5.101 -0.952
5 HB ILE 1 HB ILE 1 -0.013 5.854 0.620
6 1HG1 ILE 1 1HG1 ILE 1 -0.523 8.228 -1.150
7 2HG1 ILE 1 2HG1 ILE 1 -1.378 6.709 -1.514
8 1HG2 ILE 1 1HG2 ILE 1 1.934 7.854 -0.568
9 2HG2 ILE 1 2HG2 ILE 1 0.927 8.262 0.843
10 3HG2 ILE 1 3HG2 ILE 1 2.086 6.914 0.936
11 1HD1 ILE 1 1HD1 ILE 1 -1.295 7.838 1.299
12 2HD1 ILE 1 2HD1 ILE 1 -2.516 8.376 0.122
13 3HD1 ILE 1 3HD1 ILE 1 -2.439 6.664 0.604
14 H CYS 2 H CYS 2 0.344 3.352 -0.183
15 HA CYS 2 HA CYS 2 -1.902 2.848 -1.966
16 1HB CYS 2 1HB CYS 2 0.195 1.713 -2.821
17 2HB CYS 2 2HB CYS 2 0.169 0.730 -1.370
18 H CYS 3 H CYS 3 -3.433 3.120 -0.308
19 HA CYS 3 HA CYS 3 -2.923 1.963 2.268
20 1HB CYS 3 1HB CYS 3 -4.917 3.795 1.080
21 2HB CYS 3 2HB CYS 3 -5.522 2.756 2.355
22 H ASN 4 H ASN 4 -2.649 -0.235 1.007
23 HA ASN 4 HA ASN 4 -5.158 -1.595 1.306
24 1HB ASN 4 1HB ASN 4 -4.171 -0.885 -1.296
25 2HB ASN 4 2HB ASN 4 -3.876 -2.603 -1.118
26 2HD2 ASN 4 1HD2 ASN 4 -5.553 -2.058 -2.999
27 1HD2 ASN 4 2HD2 ASN 4 -7.209 -2.345 -2.583
28 HA PRO 5 HA PRO 5 -2.249 -4.576 2.688
29 1HB PRO 5 1HB PRO 5 -3.794 -6.829 2.767
30 2HB PRO 5 2HB PRO 5 -3.816 -5.608 4.024
31 1HG PRO 5 2HG PRO 5 -6.006 -5.232 3.406
32 2HG PRO 5 1HG PRO 5 -5.821 -6.134 1.916
33 1HD PRO 5 1HD PRO 5 -5.705 -4.146 0.769
34 2HD PRO 5 2HD PRO 5 -5.774 -3.246 2.270
35 H ALA 6 H ALA 6 -3.980 -5.193 -0.250
36 HA ALA 6 HA ALA 6 -2.346 -7.345 -1.069
37 1HB ALA 6 1HB ALA 6 -4.602 -5.813 -2.026
38 2HB ALA 6 2HB ALA 6 -3.401 -5.984 -3.329
39 3HB ALA 6 3HB ALA 6 -4.054 -7.431 -2.523
40 H CYS 7 H CYS 7 -1.684 -4.039 -0.581
41 HA CYS 7 HA CYS 7 0.017 -3.629 -2.806
42 1HB CYS 7 1HB CYS 7 -0.014 -2.164 -0.161
43 2HB CYS 7 2HB CYS 7 0.721 -1.616 -1.655
44 H GLY 8 H GLY 8 0.254 -5.051 0.445
45 1HA GLY 8 1HA GLY 8 1.957 -5.986 1.585
46 2HA GLY 8 2HA GLY 8 2.495 -6.550 0.015
47 HA PRO 9 HA PRO 9 5.988 -4.033 0.665
48 1HB PRO 9 1HB PRO 9 7.235 -4.411 -1.737
49 2HB PRO 9 2HB PRO 9 7.359 -5.542 -0.404
50 1HG PRO 9 2HG PRO 9 6.261 -7.037 -1.774
51 2HG PRO 9 1HG PRO 9 5.788 -5.778 -2.897
52 1HD PRO 9 1HD PRO 9 3.667 -5.838 -2.011
53 2HD PRO 9 2HD PRO 9 4.173 -7.012 -0.814
54 H LYS 10 H LYS 10 3.388 -3.215 -1.016
55 HA LYS 10 HA LYS 10 4.648 -0.697 -1.858
56 1HB LYS 10 1HB LYS 10 3.841 -2.208 -3.722
57 2HB LYS 10 2HB LYS 10 2.211 -1.979 -3.120
58 1HG LYS 10 1HG LYS 10 3.245 0.638 -3.241
59 2HG LYS 10 2HG LYS 10 3.906 -0.132 -4.670
60 1HD LYS 10 1HD LYS 10 0.975 -0.528 -4.031
61 2HD LYS 10 2HD LYS 10 1.486 1.000 -4.719
62 1HE LYS 10 1HE LYS 10 1.900 0.083 -6.782
63 2HE LYS 10 2HE LYS 10 2.647 -1.351 -6.107
64 1HZ LYS 10 1HZ LYS 10 0.156 -1.760 -5.401
65 2HZ LYS 10 2HZ LYS 10 -0.119 -0.877 -6.748
66 3HZ LYS 10 3HZ LYS 10 0.751 -2.255 -6.839
67 H TYR 11 H TYR 11 2.835 -2.157 0.506
68 HA TYR 11 HA TYR 11 0.601 -0.519 0.769
69 1HB TYR 11 1HB TYR 11 1.128 -2.664 2.002
70 2HB TYR 11 2HB TYR 11 2.494 -1.890 2.780
71 HD1 TYR 11 HD1 TYR 11 -0.967 -0.556 2.278
72 HD2 TYR 11 HD2 TYR 11 1.969 -1.944 5.064
73 HE1 TYR 11 HE1 TYR 11 -2.459 0.147 4.212
74 HE2 TYR 11 HE2 TYR 11 0.467 -1.236 6.989
75 HH TYR 11 HH TYR 11 -1.900 0.856 6.750
76 H SER 12 H SER 12 0.433 1.635 1.115
77 HA SER 12 HA SER 12 2.206 2.836 3.008
78 1HB SER 12 1HB SER 12 2.602 3.157 0.122
79 2HB SER 12 2HB SER 12 2.285 4.702 0.887
80 HG SER 12 HG SER 12 4.143 2.938 2.151
81 H CYS 13 H CYS 13 0.994 4.256 4.223
82 HA CYS 13 HA CYS 13 -1.489 5.201 2.988
83 1HB CYS 13 1HB CYS 13 -0.865 4.166 5.704
84 2HB CYS 13 2HB CYS 13 -1.996 5.500 5.605
No H/Q in entry = 84
Start of MODEL 36
1 H1 ILE 1 H1 ILE 1 1.165 5.691 -3.816
2 H2 ILE 1 H2 ILE 1 1.529 7.087 -3.004
3 H3 ILE 1 H3 ILE 1 2.718 5.979 -3.320
4 HA ILE 1 HA ILE 1 2.272 4.751 -1.597
5 HB ILE 1 HB ILE 1 1.084 5.995 0.218
6 1HG1 ILE 1 1HG1 ILE 1 0.796 8.491 -1.236
7 2HG1 ILE 1 2HG1 ILE 1 -0.193 7.223 -2.001
8 1HG2 ILE 1 1HG2 ILE 1 3.040 7.581 -1.500
9 2HG2 ILE 1 2HG2 ILE 1 2.632 7.965 0.189
10 3HG2 ILE 1 3HG2 ILE 1 3.453 6.436 -0.202
11 1HD1 ILE 1 1HD1 ILE 1 -0.193 7.871 0.977
12 2HD1 ILE 1 2HD1 ILE 1 -1.417 8.433 -0.185
13 3HD1 ILE 1 3HD1 ILE 1 -1.240 6.694 0.150
14 H CYS 2 H CYS 2 1.010 3.032 -0.984
15 HA CYS 2 HA CYS 2 -1.644 2.985 -2.194
16 1HB CYS 2 1HB CYS 2 0.113 1.221 -2.733
17 2HB CYS 2 2HB CYS 2 -0.107 0.631 -1.097
18 H CYS 3 H CYS 3 -3.227 1.509 -0.761
19 HA CYS 3 HA CYS 3 -2.749 1.857 2.063
20 1HB CYS 3 1HB CYS 3 -3.839 3.985 1.141
21 2HB CYS 3 2HB CYS 3 -5.273 3.011 0.885
22 H ASN 4 H ASN 4 -2.608 -0.558 1.141
23 HA ASN 4 HA ASN 4 -5.071 -1.753 1.908
24 1HB ASN 4 1HB ASN 4 -4.613 -1.344 -0.875
25 2HB ASN 4 2HB ASN 4 -4.231 -3.032 -0.602
26 2HD2 ASN 4 1HD2 ASN 4 -5.932 -4.040 -1.435
27 1HD2 ASN 4 2HD2 ASN 4 -7.579 -3.846 -0.939
28 HA PRO 5 HA PRO 5 -2.164 -4.860 2.974
29 1HB PRO 5 1HB PRO 5 -3.638 -7.161 2.968
30 2HB PRO 5 2HB PRO 5 -3.681 -5.999 4.279
31 1HG PRO 5 2HG PRO 5 -5.889 -5.662 3.703
32 2HG PRO 5 1HG PRO 5 -5.695 -6.491 2.172
33 1HD PRO 5 1HD PRO 5 -5.655 -4.450 1.115
34 2HD PRO 5 2HD PRO 5 -5.733 -3.621 2.657
35 H ALA 6 H ALA 6 -3.998 -5.585 0.091
36 HA ALA 6 HA ALA 6 -2.227 -7.559 -0.844
37 1HB ALA 6 3HB ALA 6 -4.405 -7.515 -1.765
38 2HB ALA 6 1HB ALA 6 -4.324 -5.770 -2.102
39 3HB ALA 6 2HB ALA 6 -3.365 -6.909 -3.076
40 H CYS 7 H CYS 7 -1.854 -4.183 -0.385
41 HA CYS 7 HA CYS 7 -0.233 -3.668 -2.652
42 1HB CYS 7 2HB CYS 7 0.288 -1.568 -1.564
43 2HB CYS 7 1HB CYS 7 -0.367 -2.144 -0.045
44 H GLY 8 H GLY 8 0.192 -4.906 0.666
45 1HA GLY 8 1HA GLY 8 1.996 -5.632 1.805
46 2HA GLY 8 2HA GLY 8 2.536 -6.243 0.253
47 HA PRO 9 HA PRO 9 5.828 -3.420 0.674
48 1HB PRO 9 1HB PRO 9 7.081 -3.886 -1.710
49 2HB PRO 9 2HB PRO 9 7.307 -4.895 -0.295
50 1HG PRO 9 1HG PRO 9 5.738 -5.454 -2.736
51 2HG PRO 9 2HG PRO 9 6.321 -6.578 -1.526
52 1HD PRO 9 1HD PRO 9 3.636 -5.612 -1.817
53 2HD PRO 9 2HD PRO 9 4.247 -6.645 -0.539
54 H LYS 10 H LYS 10 3.149 -2.929 -0.984
55 HA LYS 10 HA LYS 10 4.211 -0.459 -2.168
56 1HB LYS 10 1HB LYS 10 3.216 -2.227 -3.715
57 2HB LYS 10 2HB LYS 10 1.664 -1.879 -2.978
58 1HG LYS 10 1HG LYS 10 2.437 0.670 -3.518
59 2HG LYS 10 2HG LYS 10 3.351 -0.151 -4.768
60 1HD LYS 10 1HD LYS 10 0.765 -1.341 -4.821
61 2HD LYS 10 2HD LYS 10 0.480 0.378 -4.634
62 1HE LYS 10 1HE LYS 10 2.543 -0.465 -6.662
63 2HE LYS 10 2HE LYS 10 0.861 -0.761 -7.057
64 1HZ LYS 10 1HZ LYS 10 0.636 1.686 -6.252
65 2HZ LYS 10 2HZ LYS 10 2.216 1.767 -6.655
66 3HZ LYS 10 3HZ LYS 10 1.107 1.350 -7.779
67 H TYR 11 H TYR 11 2.562 -1.767 0.469
68 HA TYR 11 HA TYR 11 0.489 0.147 0.743
69 1HB TYR 11 1HB TYR 11 0.741 -2.174 1.823
70 2HB TYR 11 2HB TYR 11 2.084 -1.553 2.762
71 HD1 TYR 11 HD1 TYR 11 -1.089 0.261 2.040
72 HD2 TYR 11 HD2 TYR 11 1.232 -1.839 4.958
73 HE1 TYR 11 HE1 TYR 11 -2.700 0.999 3.863
74 HE2 TYR 11 HE2 TYR 11 -0.387 -1.094 6.771
75 HH TYR 11 HH TYR 11 -2.083 0.173 7.257
76 H SER 12 H SER 12 0.736 2.287 1.128
77 HA SER 12 HA SER 12 2.758 3.032 3.054
78 1HB SER 12 1HB SER 12 3.154 3.406 0.286
79 2HB SER 12 2HB SER 12 2.639 4.979 0.861
80 HG SER 12 HG SER 12 5.059 3.737 1.184
81 H CYS 13 H CYS 13 0.333 2.940 3.982
82 HA CYS 13 HA CYS 13 -0.516 5.701 4.031
83 1HB CYS 13 1HB CYS 13 -2.033 5.198 2.404
84 2HB CYS 13 2HB CYS 13 -2.136 3.505 2.845
No H/Q in entry = 84