Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
615996 | 5vav RC | 30274 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854
2 HA2 GLY 1 HA2 GLY 1 2.252 -1.021 -1.547
3 HA3 GLY 1 HA3 GLY 1 1.477 0.488 -2.006
4 H ARG 2 H ARG 2 2.520 2.279 -0.241
5 HA ARG 2 HA ARG 2 5.008 2.885 -1.368
6 HB2 ARG 2 HB2 ARG 2 3.320 4.419 -0.152
7 HB3 ARG 2 HB3 ARG 2 4.144 3.919 1.318
8 HG2 ARG 2 HG2 ARG 2 5.973 5.156 0.876
9 HG3 ARG 2 HG3 ARG 2 5.880 4.868 -0.863
10 HD2 ARG 2 HD2 ARG 2 4.462 6.632 -1.218
11 HD3 ARG 2 HD3 ARG 2 3.781 6.549 0.406
12 HE ARG 2 HE ARG 2 6.403 7.314 0.736
13 HH11 ARG 2 HH11 ARG 2 3.602 8.545 -0.926
14 HH12 ARG 2 HH12 ARG 2 4.078 10.203 -0.772
15 HH21 ARG 2 HH21 ARG 2 7.041 9.494 0.944
16 HH22 ARG 2 HH22 ARG 2 6.035 10.743 0.290
17 H CYS 3 H CYS 3 7.104 2.995 -0.381
18 HA CYS 3 HA CYS 3 7.637 1.573 2.054
19 HB2 CYS 3 HB2 CYS 3 7.330 -0.139 0.063
20 HB3 CYS 3 HB3 CYS 3 8.976 0.353 -0.322
21 H THR 4 H THR 4 9.944 1.571 2.595
22 HA THR 4 HA THR 4 11.216 3.987 1.578
23 HB THR 4 HB THR 4 12.904 3.417 3.457
24 HG1 THR 4 HG1 THR 4 12.128 1.254 3.767
25 HG21 THR 4 HG21 THR 4 10.802 4.016 5.127
26 HG22 THR 4 HG22 THR 4 10.220 4.565 3.555
27 HG23 THR 4 HG23 THR 4 11.740 5.185 4.199
28 H GLN 5 H GLN 5 13.035 4.040 0.384
29 HA GLN 5 HA GLN 5 13.933 1.642 -0.877
30 HB2 GLN 5 HB2 GLN 5 15.160 4.402 -0.963
31 HB3 GLN 5 HB3 GLN 5 15.484 3.084 -2.082
32 HG2 GLN 5 HG2 GLN 5 12.734 4.224 -1.720
33 HG3 GLN 5 HG3 GLN 5 13.899 4.915 -2.849
34 HE21 GLN 5 HE21 GLN 5 14.967 3.157 -4.265
35 HE22 GLN 5 HE22 GLN 5 13.874 2.031 -4.988
36 H ALA 6 H ALA 6 15.175 3.733 1.663
37 HA ALA 6 HA ALA 6 17.490 1.945 1.976
38 HB1 ALA 6 HB1 ALA 6 17.553 4.610 1.745
39 HB2 ALA 6 HB2 ALA 6 17.379 4.477 3.496
40 HB3 ALA 6 HB3 ALA 6 18.736 3.697 2.683
41 H TRP 7 H TRP 7 18.220 2.235 4.506
42 HA TRP 7 HA TRP 7 16.065 0.924 5.955
43 HB2 TRP 7 HB2 TRP 7 19.015 1.061 6.190
44 HB3 TRP 7 HB3 TRP 7 18.124 0.895 7.700
45 HD1 TRP 7 HD1 TRP 7 16.755 -0.807 4.583
46 HE1 TRP 7 HE1 TRP 7 16.979 -3.356 4.857
47 HE3 TRP 7 HE3 TRP 7 19.576 -0.919 8.845
48 HZ2 TRP 7 HZ2 TRP 7 18.191 -5.174 6.645
49 HZ3 TRP 7 HZ3 TRP 7 20.225 -3.104 9.772
50 HH2 TRP 7 HH2 TRP 7 19.545 -5.186 8.694
51 HA PRO 8 HA PRO 8 16.315 0.366 8.383
52 HB2 PRO 8 HB2 PRO 8 14.107 0.507 9.956
53 HB3 PRO 8 HB3 PRO 8 15.724 0.928 10.531
54 HG2 PRO 8 HG2 PRO 8 13.519 2.723 9.594
55 HG3 PRO 8 HG3 PRO 8 14.602 2.914 10.985
56 HD2 PRO 8 HD2 PRO 8 14.983 4.232 8.651
57 HD3 PRO 8 HD3 PRO 8 16.329 3.722 9.690
58 HA PRO 9 HA PRO 9 13.254 -1.171 5.625
59 HB2 PRO 9 HB2 PRO 9 12.369 -3.402 6.893
60 HB3 PRO 9 HB3 PRO 9 13.969 -3.291 6.150
61 HG2 PRO 9 HG2 PRO 9 13.190 -2.983 9.024
62 HG3 PRO 9 HG3 PRO 9 14.570 -3.849 8.326
63 HD2 PRO 9 HD2 PRO 9 14.799 -1.381 9.416
64 HD3 PRO 9 HD3 PRO 9 15.804 -1.921 8.056
65 H ILE 10 H ILE 10 11.814 0.671 5.968
66 HA ILE 10 HA ILE 10 9.486 0.029 7.654
67 HB ILE 10 HB ILE 10 10.204 2.741 6.544
68 HG12 ILE 10 HG12 ILE 10 11.967 2.010 8.069
69 HG13 ILE 10 HG13 ILE 10 11.003 3.280 8.816
70 HG21 ILE 10 HG21 ILE 10 8.671 3.432 8.466
71 HG22 ILE 10 HG22 ILE 10 7.918 2.708 7.047
72 HG23 ILE 10 HG23 ILE 10 8.161 1.744 8.503
73 HD11 ILE 10 HD11 ILE 10 9.708 1.391 9.934
74 HD12 ILE 10 HD12 ILE 10 11.041 0.352 9.431
75 HD13 ILE 10 HD13 ILE 10 11.344 1.716 10.506
76 H CYS 11 H CYS 11 7.946 -0.915 6.484
77 HA CYS 11 HA CYS 11 7.374 0.162 3.801
78 HB2 CYS 11 HB2 CYS 11 8.018 -2.447 4.488
79 HB3 CYS 11 HB3 CYS 11 6.263 -2.479 4.350
80 H PHE 12 H PHE 12 5.391 0.938 3.406
81 HA PHE 12 HA PHE 12 3.511 1.076 5.603
82 HB2 PHE 12 HB2 PHE 12 3.906 2.485 3.031
83 HB3 PHE 12 HB3 PHE 12 2.239 2.341 3.579
84 HD1 PHE 12 HD1 PHE 12 1.432 4.115 4.770
85 HD2 PHE 12 HD2 PHE 12 5.567 3.153 5.067
86 HE1 PHE 12 HE1 PHE 12 1.764 6.026 6.284
87 HE2 PHE 12 HE2 PHE 12 5.906 5.062 6.582
88 HZ PHE 12 HZ PHE 12 4.003 6.501 7.193
89 HA PRO 13 HA PRO 13 0.675 -2.016 4.327
90 HB2 PRO 13 HB2 PRO 13 -1.727 -0.851 4.820
91 HB3 PRO 13 HB3 PRO 13 -0.647 -1.405 6.104
92 HG2 PRO 13 HG2 PRO 13 -1.046 1.359 5.026
93 HG3 PRO 13 HG3 PRO 13 -0.886 0.827 6.710
94 HD2 PRO 13 HD2 PRO 13 1.166 1.928 5.328
95 HD3 PRO 13 HD3 PRO 13 1.412 0.695 6.581
96 H ASP 14 H ASP 14 0.137 1.206 3.000
97 HA ASP 14 HA ASP 14 -1.741 0.676 1.048
98 HB2 ASP 14 HB2 ASP 14 -1.184 2.930 1.293
99 HB3 ASP 14 HB3 ASP 14 0.546 2.614 1.195
Start of MODEL 2
1 H1 GLY 1 H GLY 1 1.776 0.119 0.788
2 HA2 GLY 1 HA2 GLY 1 2.079 -0.570 -1.776
3 HA3 GLY 1 HA3 GLY 1 1.362 1.026 -1.944
4 H ARG 2 H ARG 2 2.502 2.675 -0.351
5 HA ARG 2 HA ARG 2 5.019 3.195 -1.350
6 HB2 ARG 2 HB2 ARG 2 3.436 4.719 -0.010
7 HB3 ARG 2 HB3 ARG 2 4.203 4.041 1.420
8 HG2 ARG 2 HG2 ARG 2 6.395 4.807 0.537
9 HG3 ARG 2 HG3 ARG 2 5.532 5.605 -0.779
10 HD2 ARG 2 HD2 ARG 2 5.060 6.147 2.148
11 HD3 ARG 2 HD3 ARG 2 6.113 7.112 1.114
12 HE ARG 2 HE ARG 2 3.697 7.067 -0.175
13 HH11 ARG 2 HH11 ARG 2 4.824 8.045 2.970
14 HH12 ARG 2 HH12 ARG 2 3.624 9.280 3.160
15 HH21 ARG 2 HH21 ARG 2 2.112 8.690 0.064
16 HH22 ARG 2 HH22 ARG 2 2.081 9.645 1.507
17 H CYS 3 H CYS 3 7.128 3.097 -0.412
18 HA CYS 3 HA CYS 3 7.623 1.482 1.906
19 HB2 CYS 3 HB2 CYS 3 7.158 -0.089 -0.150
20 HB3 CYS 3 HB3 CYS 3 8.801 0.351 -0.603
21 H THR 4 H THR 4 9.973 1.240 2.321
22 HA THR 4 HA THR 4 11.431 3.548 1.220
23 HB THR 4 HB THR 4 12.798 3.483 3.270
24 HG1 THR 4 HG1 THR 4 12.621 1.875 4.651
25 HG21 THR 4 HG21 THR 4 11.329 4.828 4.292
26 HG22 THR 4 HG22 THR 4 10.182 3.511 4.542
27 HG23 THR 4 HG23 THR 4 10.197 4.390 3.013
28 H GLN 5 H GLN 5 12.881 3.008 -0.267
29 HA GLN 5 HA GLN 5 13.851 0.408 -0.704
30 HB2 GLN 5 HB2 GLN 5 15.489 1.507 -2.221
31 HB3 GLN 5 HB3 GLN 5 13.827 2.011 -2.501
32 HG2 GLN 5 HG2 GLN 5 14.279 4.043 -1.146
33 HG3 GLN 5 HG3 GLN 5 15.970 3.552 -1.060
34 HE21 GLN 5 HE21 GLN 5 16.355 5.628 -2.077
35 HE22 GLN 5 HE22 GLN 5 16.229 5.764 -3.795
36 H ALA 6 H ALA 6 15.289 3.198 0.938
37 HA ALA 6 HA ALA 6 17.580 1.562 1.737
38 HB1 ALA 6 HB1 ALA 6 17.486 4.130 0.894
39 HB2 ALA 6 HB2 ALA 6 17.453 4.356 2.643
40 HB3 ALA 6 HB3 ALA 6 18.775 3.461 1.894
41 H TRP 7 H TRP 7 18.111 1.156 3.872
42 HA TRP 7 HA TRP 7 16.066 0.658 5.670
43 HB2 TRP 7 HB2 TRP 7 19.023 0.781 5.829
44 HB3 TRP 7 HB3 TRP 7 18.156 0.877 7.360
45 HD1 TRP 7 HD1 TRP 7 17.110 -1.331 4.370
46 HE1 TRP 7 HE1 TRP 7 17.150 -3.788 5.135
47 HE3 TRP 7 HE3 TRP 7 19.052 -0.690 9.055
48 HZ2 TRP 7 HZ2 TRP 7 17.905 -5.260 7.422
49 HZ3 TRP 7 HZ3 TRP 7 19.402 -2.674 10.468
50 HH2 TRP 7 HH2 TRP 7 18.839 -4.910 9.667
51 HA PRO 8 HA PRO 8 16.354 0.511 8.152
52 HB2 PRO 8 HB2 PRO 8 14.179 0.959 9.714
53 HB3 PRO 8 HB3 PRO 8 15.815 1.439 10.183
54 HG2 PRO 8 HG2 PRO 8 13.623 3.095 8.994
55 HG3 PRO 8 HG3 PRO 8 14.736 3.495 10.315
56 HD2 PRO 8 HD2 PRO 8 15.094 4.394 7.786
57 HD3 PRO 8 HD3 PRO 8 16.451 4.038 8.874
58 HA PRO 9 HA PRO 9 13.213 -1.405 5.744
59 HB2 PRO 9 HB2 PRO 9 12.312 -3.371 7.385
60 HB3 PRO 9 HB3 PRO 9 13.899 -3.420 6.608
61 HG2 PRO 9 HG2 PRO 9 13.182 -2.616 9.401
62 HG3 PRO 9 HG3 PRO 9 14.533 -3.616 8.837
63 HD2 PRO 9 HD2 PRO 9 14.827 -1.005 9.490
64 HD3 PRO 9 HD3 PRO 9 15.795 -1.788 8.225
65 H ILE 10 H ILE 10 11.849 0.554 5.859
66 HA ILE 10 HA ILE 10 9.464 0.125 7.538
67 HB ILE 10 HB ILE 10 10.478 2.753 6.448
68 HG12 ILE 10 HG12 ILE 10 11.902 1.837 8.252
69 HG13 ILE 10 HG13 ILE 10 11.054 3.296 8.754
70 HG21 ILE 10 HG21 ILE 10 8.213 3.086 6.623
71 HG22 ILE 10 HG22 ILE 10 8.038 1.943 7.954
72 HG23 ILE 10 HG23 ILE 10 8.740 3.534 8.245
73 HD11 ILE 10 HD11 ILE 10 9.423 1.092 9.430
74 HD12 ILE 10 HD12 ILE 10 11.064 0.736 9.969
75 HD13 ILE 10 HD13 ILE 10 10.261 2.213 10.503
76 H CYS 11 H CYS 11 7.920 -0.755 6.325
77 HA CYS 11 HA CYS 11 7.471 0.350 3.629
78 HB2 CYS 11 HB2 CYS 11 8.229 -2.174 4.032
79 HB3 CYS 11 HB3 CYS 11 6.502 -2.386 4.300
80 H PHE 12 H PHE 12 5.504 1.147 3.198
81 HA PHE 12 HA PHE 12 3.592 1.369 5.321
82 HB2 PHE 12 HB2 PHE 12 3.844 2.429 2.545
83 HB3 PHE 12 HB3 PHE 12 2.245 2.418 3.282
84 HD1 PHE 12 HD1 PHE 12 5.735 3.550 3.862
85 HD2 PHE 12 HD2 PHE 12 1.604 4.129 4.711
86 HE1 PHE 12 HE1 PHE 12 6.275 5.636 5.049
87 HE2 PHE 12 HE2 PHE 12 2.137 6.216 5.899
88 HZ PHE 12 HZ PHE 12 4.475 6.973 6.069
89 HA PRO 13 HA PRO 13 0.842 -1.927 4.425
90 HB2 PRO 13 HB2 PRO 13 -1.591 -0.784 4.806
91 HB3 PRO 13 HB3 PRO 13 -0.487 -1.160 6.135
92 HG2 PRO 13 HG2 PRO 13 -0.974 1.454 4.758
93 HG3 PRO 13 HG3 PRO 13 -0.788 1.119 6.490
94 HD2 PRO 13 HD2 PRO 13 1.222 2.116 4.974
95 HD3 PRO 13 HD3 PRO 13 1.512 1.039 6.355
96 H ASP 14 H ASP 14 -0.256 1.116 2.927
97 HA ASP 14 HA ASP 14 -1.899 0.080 0.965
98 HB2 ASP 14 HB2 ASP 14 -1.103 2.161 -0.376
99 HB3 ASP 14 HB3 ASP 14 -1.953 2.402 1.148
Start of MODEL 3
1 H1 GLY 1 H GLY 1 1.355 0.850 1.327
2 HA2 GLY 1 HA2 GLY 1 1.509 -0.954 -0.807
3 HA3 GLY 1 HA3 GLY 1 0.973 0.590 -1.454
4 H ARG 2 H ARG 2 2.349 2.504 -0.565
5 HA ARG 2 HA ARG 2 4.889 2.331 -1.623
6 HB2 ARG 2 HB2 ARG 2 3.607 4.213 0.320
7 HB3 ARG 2 HB3 ARG 2 5.325 4.364 -0.023
8 HG2 ARG 2 HG2 ARG 2 3.262 4.319 -2.201
9 HG3 ARG 2 HG3 ARG 2 3.739 5.806 -1.378
10 HD2 ARG 2 HD2 ARG 2 5.896 4.063 -2.429
11 HD3 ARG 2 HD3 ARG 2 4.928 4.955 -3.602
12 HE ARG 2 HE ARG 2 5.675 6.783 -1.675
13 HH11 ARG 2 HH11 ARG 2 7.271 4.682 -3.946
14 HH12 ARG 2 HH12 ARG 2 8.646 5.718 -4.137
15 HH21 ARG 2 HH21 ARG 2 7.480 8.156 -1.918
16 HH22 ARG 2 HH22 ARG 2 8.764 7.693 -2.983
17 H CYS 3 H CYS 3 6.979 2.711 -0.418
18 HA CYS 3 HA CYS 3 7.130 1.455 2.199
19 HB2 CYS 3 HB2 CYS 3 8.313 0.269 -0.299
20 HB3 CYS 3 HB3 CYS 3 9.045 -0.025 1.275
21 H THR 4 H THR 4 9.394 1.527 3.063
22 HA THR 4 HA THR 4 10.511 4.137 2.515
23 HB THR 4 HB THR 4 11.868 3.827 4.459
24 HG1 THR 4 HG1 THR 4 12.617 1.887 4.815
25 HG21 THR 4 HG21 THR 4 9.264 2.455 5.105
26 HG22 THR 4 HG22 THR 4 9.380 4.180 4.759
27 HG23 THR 4 HG23 THR 4 10.229 3.500 6.146
28 H GLN 5 H GLN 5 12.082 4.499 1.104
29 HA GLN 5 HA GLN 5 13.408 2.445 -0.302
30 HB2 GLN 5 HB2 GLN 5 13.877 5.412 -0.085
31 HB3 GLN 5 HB3 GLN 5 14.899 4.379 -1.077
32 HG2 GLN 5 HG2 GLN 5 12.988 3.717 -2.408
33 HG3 GLN 5 HG3 GLN 5 11.920 4.674 -1.383
34 HE21 GLN 5 HE21 GLN 5 13.887 4.655 -4.116
35 HE22 GLN 5 HE22 GLN 5 13.861 6.349 -4.456
36 H ALA 6 H ALA 6 14.615 4.735 2.146
37 HA ALA 6 HA ALA 6 17.082 3.211 2.394
38 HB1 ALA 6 HB1 ALA 6 16.618 5.864 2.524
39 HB2 ALA 6 HB2 ALA 6 16.594 5.452 4.239
40 HB3 ALA 6 HB3 ALA 6 18.010 5.071 3.260
41 H TRP 7 H TRP 7 17.890 2.735 4.630
42 HA TRP 7 HA TRP 7 16.003 1.089 5.983
43 HB2 TRP 7 HB2 TRP 7 18.883 1.733 6.259
44 HB3 TRP 7 HB3 TRP 7 18.069 1.172 7.717
45 HD1 TRP 7 HD1 TRP 7 17.337 -0.151 4.168
46 HE1 TRP 7 HE1 TRP 7 17.893 -2.664 4.117
47 HE3 TRP 7 HE3 TRP 7 19.352 -0.632 8.842
48 HZ2 TRP 7 HZ2 TRP 7 19.034 -4.594 5.831
49 HZ3 TRP 7 HZ3 TRP 7 20.152 -2.845 9.559
50 HH2 TRP 7 HH2 TRP 7 19.995 -4.784 8.084
51 HA PRO 8 HA PRO 8 16.398 0.223 8.296
52 HB2 PRO 8 HB2 PRO 8 14.232 -0.285 9.853
53 HB3 PRO 8 HB3 PRO 8 15.757 0.332 10.500
54 HG2 PRO 8 HG2 PRO 8 13.245 1.816 9.832
55 HG3 PRO 8 HG3 PRO 8 14.302 1.986 11.245
56 HD2 PRO 8 HD2 PRO 8 14.391 3.694 9.146
57 HD3 PRO 8 HD3 PRO 8 15.827 3.284 10.105
58 HA PRO 9 HA PRO 9 13.613 -1.408 5.309
59 HB2 PRO 9 HB2 PRO 9 13.171 -3.929 6.213
60 HB3 PRO 9 HB3 PRO 9 14.710 -3.417 5.509
61 HG2 PRO 9 HG2 PRO 9 13.944 -3.698 8.390
62 HG3 PRO 9 HG3 PRO 9 15.445 -4.182 7.579
63 HD2 PRO 9 HD2 PRO 9 15.243 -1.908 9.036
64 HD3 PRO 9 HD3 PRO 9 16.303 -2.043 7.619
65 H ILE 10 H ILE 10 11.893 0.100 5.987
66 HA ILE 10 HA ILE 10 9.699 -1.295 7.378
67 HB ILE 10 HB ILE 10 10.017 1.696 7.158
68 HG12 ILE 10 HG12 ILE 10 11.868 0.756 8.474
69 HG13 ILE 10 HG13 ILE 10 10.754 1.656 9.498
70 HG21 ILE 10 HG21 ILE 10 8.199 -0.076 8.778
71 HG22 ILE 10 HG22 ILE 10 8.362 1.662 9.025
72 HG23 ILE 10 HG23 ILE 10 7.742 1.043 7.494
73 HD11 ILE 10 HD11 ILE 10 11.604 -1.061 9.698
74 HD12 ILE 10 HD12 ILE 10 10.621 -0.112 10.814
75 HD13 ILE 10 HD13 ILE 10 9.853 -1.000 9.498
76 H CYS 11 H CYS 11 7.585 -1.038 6.568
77 HA CYS 11 HA CYS 11 7.354 0.144 3.891
78 HB2 CYS 11 HB2 CYS 11 6.885 -2.684 4.682
79 HB3 CYS 11 HB3 CYS 11 5.743 -1.966 3.551
80 H PHE 12 H PHE 12 5.408 1.091 3.435
81 HA PHE 12 HA PHE 12 3.730 1.722 5.671
82 HB2 PHE 12 HB2 PHE 12 3.878 2.544 2.806
83 HB3 PHE 12 HB3 PHE 12 2.371 2.822 3.674
84 HD1 PHE 12 HD1 PHE 12 5.108 4.461 2.616
85 HD2 PHE 12 HD2 PHE 12 3.038 3.698 6.256
86 HE1 PHE 12 HE1 PHE 12 6.049 6.520 3.578
87 HE2 PHE 12 HE2 PHE 12 3.975 5.757 7.224
88 HZ PHE 12 HZ PHE 12 5.482 7.171 5.885
89 HA PRO 13 HA PRO 13 0.492 -1.204 5.238
90 HB2 PRO 13 HB2 PRO 13 -1.722 0.294 5.713
91 HB3 PRO 13 HB3 PRO 13 -0.570 -0.147 6.980
92 HG2 PRO 13 HG2 PRO 13 -0.813 2.414 5.449
93 HG3 PRO 13 HG3 PRO 13 -0.527 2.170 7.181
94 HD2 PRO 13 HD2 PRO 13 1.463 2.772 5.447
95 HD3 PRO 13 HD3 PRO 13 1.720 1.756 6.881
96 H ASP 14 H ASP 14 -0.194 1.851 3.546
97 HA ASP 14 HA ASP 14 -2.175 0.993 1.825
98 HB2 ASP 14 HB2 ASP 14 -1.112 2.753 0.223
99 HB3 ASP 14 HB3 ASP 14 -1.782 3.285 1.763
Start of MODEL 4
1 H1 GLY 1 H GLY 1 1.786 0.075 1.453
2 HA2 GLY 1 HA2 GLY 1 1.867 -1.294 -0.748
3 HA3 GLY 1 HA3 GLY 1 1.250 0.201 -1.435
4 H ARG 2 H ARG 2 2.684 2.127 -0.189
5 HA ARG 2 HA ARG 2 5.135 2.068 -1.568
6 HB2 ARG 2 HB2 ARG 2 3.991 3.868 0.549
7 HB3 ARG 2 HB3 ARG 2 5.638 4.089 -0.026
8 HG2 ARG 2 HG2 ARG 2 4.937 4.644 -2.183
9 HG3 ARG 2 HG3 ARG 2 3.323 3.978 -1.924
10 HD2 ARG 2 HD2 ARG 2 2.808 5.760 -0.363
11 HD3 ARG 2 HD3 ARG 2 4.445 6.397 -0.514
12 HE ARG 2 HE ARG 2 3.418 6.365 -3.067
13 HH11 ARG 2 HH11 ARG 2 2.582 7.838 -0.026
14 HH12 ARG 2 HH12 ARG 2 1.844 9.227 -0.753
15 HH21 ARG 2 HH21 ARG 2 2.450 8.188 -4.036
16 HH22 ARG 2 HH22 ARG 2 1.769 9.425 -3.034
17 H CYS 3 H CYS 3 7.295 2.172 -0.687
18 HA CYS 3 HA CYS 3 7.635 0.954 1.956
19 HB2 CYS 3 HB2 CYS 3 8.595 -0.147 -0.664
20 HB3 CYS 3 HB3 CYS 3 9.530 -0.432 0.801
21 H THR 4 H THR 4 10.063 0.912 2.522
22 HA THR 4 HA THR 4 11.146 3.553 1.842
23 HB THR 4 HB THR 4 12.630 3.157 3.856
24 HG1 THR 4 HG1 THR 4 12.454 0.940 4.102
25 HG21 THR 4 HG21 THR 4 10.901 3.738 5.458
26 HG22 THR 4 HG22 THR 4 9.654 3.128 4.371
27 HG23 THR 4 HG23 THR 4 10.592 4.553 3.925
28 H GLN 5 H GLN 5 12.649 3.573 0.310
29 HA GLN 5 HA GLN 5 14.008 1.333 -0.665
30 HB2 GLN 5 HB2 GLN 5 15.387 2.903 -1.909
31 HB3 GLN 5 HB3 GLN 5 13.706 3.418 -1.942
32 HG2 GLN 5 HG2 GLN 5 14.474 4.834 0.151
33 HG3 GLN 5 HG3 GLN 5 16.049 4.663 -0.621
34 HE21 GLN 5 HE21 GLN 5 15.009 7.132 -0.333
35 HE22 GLN 5 HE22 GLN 5 14.506 7.761 -1.861
36 H ALA 6 H ALA 6 14.867 3.659 1.822
37 HA ALA 6 HA ALA 6 17.471 2.375 2.193
38 HB1 ALA 6 HB1 ALA 6 18.062 4.237 3.561
39 HB2 ALA 6 HB2 ALA 6 17.281 4.868 2.110
40 HB3 ALA 6 HB3 ALA 6 16.388 4.791 3.629
41 H TRP 7 H TRP 7 17.922 2.725 4.851
42 HA TRP 7 HA TRP 7 16.017 0.832 6.043
43 HB2 TRP 7 HB2 TRP 7 18.943 1.235 6.273
44 HB3 TRP 7 HB3 TRP 7 18.104 0.786 7.756
45 HD1 TRP 7 HD1 TRP 7 17.012 -0.599 4.353
46 HE1 TRP 7 HE1 TRP 7 17.429 -3.138 4.331
47 HE3 TRP 7 HE3 TRP 7 19.524 -1.047 8.783
48 HZ2 TRP 7 HZ2 TRP 7 18.659 -5.075 5.975
49 HZ3 TRP 7 HZ3 TRP 7 20.286 -3.278 9.486
50 HH2 TRP 7 HH2 TRP 7 19.861 -5.249 8.110
51 HA PRO 8 HA PRO 8 16.363 -0.009 8.374
52 HB2 PRO 8 HB2 PRO 8 14.180 -0.294 9.962
53 HB3 PRO 8 HB3 PRO 8 15.758 0.208 10.580
54 HG2 PRO 8 HG2 PRO 8 13.372 1.881 9.897
55 HG3 PRO 8 HG3 PRO 8 14.455 1.996 11.297
56 HD2 PRO 8 HD2 PRO 8 14.664 3.639 9.154
57 HD3 PRO 8 HD3 PRO 8 16.072 3.133 10.111
58 HA PRO 9 HA PRO 9 13.437 -1.429 5.413
59 HB2 PRO 9 HB2 PRO 9 12.895 -3.936 6.303
60 HB3 PRO 9 HB3 PRO 9 14.437 -3.492 5.562
61 HG2 PRO 9 HG2 PRO 9 13.737 -3.768 8.459
62 HG3 PRO 9 HG3 PRO 9 15.189 -4.316 7.602
63 HD2 PRO 9 HD2 PRO 9 15.142 -2.053 9.088
64 HD3 PRO 9 HD3 PRO 9 16.154 -2.223 7.640
65 H ILE 10 H ILE 10 11.836 0.179 6.214
66 HA ILE 10 HA ILE 10 9.594 -1.145 7.597
67 HB ILE 10 HB ILE 10 10.394 0.648 8.976
68 HG12 ILE 10 HG12 ILE 10 7.983 1.754 7.538
69 HG13 ILE 10 HG13 ILE 10 7.892 0.340 8.583
70 HG21 ILE 10 HG21 ILE 10 9.911 2.973 7.445
71 HG22 ILE 10 HG22 ILE 10 11.443 2.391 8.095
72 HG23 ILE 10 HG23 ILE 10 10.931 1.908 6.478
73 HD11 ILE 10 HD11 ILE 10 7.382 1.870 10.140
74 HD12 ILE 10 HD12 ILE 10 9.132 2.071 10.227
75 HD13 ILE 10 HD13 ILE 10 8.163 3.184 9.261
76 H CYS 11 H CYS 11 8.025 -1.652 6.230
77 HA CYS 11 HA CYS 11 7.638 -0.042 3.814
78 HB2 CYS 11 HB2 CYS 11 7.011 -2.849 4.591
79 HB3 CYS 11 HB3 CYS 11 5.951 -2.069 3.421
80 H PHE 12 H PHE 12 5.917 1.233 3.525
81 HA PHE 12 HA PHE 12 4.203 1.869 5.671
82 HB2 PHE 12 HB2 PHE 12 4.422 2.654 2.811
83 HB3 PHE 12 HB3 PHE 12 2.887 2.966 3.615
84 HD1 PHE 12 HD1 PHE 12 6.547 3.469 4.087
85 HD2 PHE 12 HD2 PHE 12 2.611 4.932 4.783
86 HE1 PHE 12 HE1 PHE 12 7.486 5.519 5.072
87 HE2 PHE 12 HE2 PHE 12 3.544 6.984 5.769
88 HZ PHE 12 HZ PHE 12 5.985 7.280 5.913
89 HA PRO 13 HA PRO 13 0.811 -0.887 5.312
90 HB2 PRO 13 HB2 PRO 13 -1.321 0.736 5.750
91 HB3 PRO 13 HB3 PRO 13 -0.191 0.268 7.027
92 HG2 PRO 13 HG2 PRO 13 -0.304 2.799 5.432
93 HG3 PRO 13 HG3 PRO 13 -0.028 2.583 7.170
94 HD2 PRO 13 HD2 PRO 13 1.988 3.037 5.420
95 HD3 PRO 13 HD3 PRO 13 2.194 2.046 6.879
96 H ASP 14 H ASP 14 0.594 2.064 3.393
97 HA ASP 14 HA ASP 14 -1.554 1.481 1.759
98 HB2 ASP 14 HB2 ASP 14 -0.650 3.623 1.498
99 HB3 ASP 14 HB3 ASP 14 0.989 3.010 1.296
Start of MODEL 5
1 H1 GLY 1 H GLY 1 1.388 1.284 0.953
2 HA2 GLY 1 HA2 GLY 1 1.884 -1.246 0.107
3 HA3 GLY 1 HA3 GLY 1 1.427 -0.419 -1.375
4 H ARG 2 H ARG 2 2.588 2.129 -0.515
5 HA ARG 2 HA ARG 2 5.082 1.961 -1.686
6 HB2 ARG 2 HB2 ARG 2 3.561 3.959 -0.252
7 HB3 ARG 2 HB3 ARG 2 5.271 4.078 0.142
8 HG2 ARG 2 HG2 ARG 2 5.874 4.525 -2.062
9 HG3 ARG 2 HG3 ARG 2 4.348 3.912 -2.701
10 HD2 ARG 2 HD2 ARG 2 3.362 5.901 -2.496
11 HD3 ARG 2 HD3 ARG 2 3.943 6.097 -0.843
12 HE ARG 2 HE ARG 2 5.088 7.216 -3.223
13 HH11 ARG 2 HH11 ARG 2 5.738 6.177 0.035
14 HH12 ARG 2 HH12 ARG 2 7.120 7.204 0.226
15 HH21 ARG 2 HH21 ARG 2 6.906 8.573 -2.984
16 HH22 ARG 2 HH22 ARG 2 7.783 8.567 -1.491
17 H CYS 3 H CYS 3 7.216 2.018 -0.869
18 HA CYS 3 HA CYS 3 7.533 1.116 1.912
19 HB2 CYS 3 HB2 CYS 3 7.788 -0.602 -0.180
20 HB3 CYS 3 HB3 CYS 3 9.440 -0.009 -0.042
21 H THR 4 H THR 4 9.889 1.247 2.598
22 HA THR 4 HA THR 4 10.890 3.871 1.818
23 HB THR 4 HB THR 4 12.404 3.639 3.766
24 HG1 THR 4 HG1 THR 4 10.978 1.302 4.480
25 HG21 THR 4 HG21 THR 4 9.956 4.466 3.865
26 HG22 THR 4 HG22 THR 4 10.778 4.086 5.379
27 HG23 THR 4 HG23 THR 4 9.635 2.937 4.683
28 H GLN 5 H GLN 5 12.767 4.236 0.769
29 HA GLN 5 HA GLN 5 14.028 2.044 -0.573
30 HB2 GLN 5 HB2 GLN 5 14.900 4.936 -0.476
31 HB3 GLN 5 HB3 GLN 5 15.390 3.729 -1.658
32 HG2 GLN 5 HG2 GLN 5 13.135 3.606 -2.519
33 HG3 GLN 5 HG3 GLN 5 12.578 4.734 -1.284
34 HE21 GLN 5 HE21 GLN 5 14.306 4.361 -4.260
35 HE22 GLN 5 HE22 GLN 5 14.423 6.040 -4.646
36 H ALA 6 H ALA 6 14.944 4.266 2.021
37 HA ALA 6 HA ALA 6 17.474 2.838 2.375
38 HB1 ALA 6 HB1 ALA 6 16.947 5.490 2.465
39 HB2 ALA 6 HB2 ALA 6 16.854 5.075 4.177
40 HB3 ALA 6 HB3 ALA 6 18.320 4.723 3.262
41 H TRP 7 H TRP 7 18.109 2.673 4.818
42 HA TRP 7 HA TRP 7 16.090 0.990 6.043
43 HB2 TRP 7 HB2 TRP 7 19.004 1.342 6.274
44 HB3 TRP 7 HB3 TRP 7 18.188 0.986 7.794
45 HD1 TRP 7 HD1 TRP 7 16.993 -0.533 4.483
46 HE1 TRP 7 HE1 TRP 7 17.347 -3.081 4.577
47 HE3 TRP 7 HE3 TRP 7 19.579 -0.831 8.883
48 HZ2 TRP 7 HZ2 TRP 7 18.561 -4.967 6.290
49 HZ3 TRP 7 HZ3 TRP 7 20.300 -3.045 9.679
50 HH2 TRP 7 HH2 TRP 7 19.800 -5.069 8.408
51 HA PRO 8 HA PRO 8 16.392 0.102 8.364
52 HB2 PRO 8 HB2 PRO 8 14.178 -0.222 9.901
53 HB3 PRO 8 HB3 PRO 8 15.741 0.272 10.561
54 HG2 PRO 8 HG2 PRO 8 13.364 1.952 9.863
55 HG3 PRO 8 HG3 PRO 8 14.418 2.041 11.286
56 HD2 PRO 8 HD2 PRO 8 14.665 3.728 9.183
57 HD3 PRO 8 HD3 PRO 8 16.054 3.207 10.157
58 HA PRO 9 HA PRO 9 13.513 -1.309 5.355
59 HB2 PRO 9 HB2 PRO 9 12.858 -3.782 6.262
60 HB3 PRO 9 HB3 PRO 9 14.440 -3.399 5.572
61 HG2 PRO 9 HG2 PRO 9 13.626 -3.605 8.446
62 HG3 PRO 9 HG3 PRO 9 15.091 -4.213 7.651
63 HD2 PRO 9 HD2 PRO 9 15.061 -1.925 9.099
64 HD3 PRO 9 HD3 PRO 9 16.120 -2.151 7.692
65 H ILE 10 H ILE 10 11.867 0.276 5.882
66 HA ILE 10 HA ILE 10 9.628 -0.822 7.449
67 HB ILE 10 HB ILE 10 10.117 2.069 6.724
68 HG12 ILE 10 HG12 ILE 10 10.557 0.626 9.348
69 HG13 ILE 10 HG13 ILE 10 11.822 1.229 8.284
70 HG21 ILE 10 HG21 ILE 10 8.364 2.505 8.404
71 HG22 ILE 10 HG22 ILE 10 7.773 1.572 7.030
72 HG23 ILE 10 HG23 ILE 10 8.112 0.767 8.561
73 HD11 ILE 10 HD11 ILE 10 11.505 2.728 10.143
74 HD12 ILE 10 HD12 ILE 10 11.002 3.515 8.647
75 HD13 ILE 10 HD13 ILE 10 9.790 2.883 9.762
76 H CYS 11 H CYS 11 7.539 -0.754 6.611
77 HA CYS 11 HA CYS 11 7.206 0.120 3.840
78 HB2 CYS 11 HB2 CYS 11 7.598 -2.559 4.475
79 HB3 CYS 11 HB3 CYS 11 5.850 -2.412 4.319
80 H PHE 12 H PHE 12 5.303 1.091 3.486
81 HA PHE 12 HA PHE 12 3.493 1.437 5.696
82 HB2 PHE 12 HB2 PHE 12 3.875 2.647 3.020
83 HB3 PHE 12 HB3 PHE 12 2.231 2.669 3.650
84 HD1 PHE 12 HD1 PHE 12 1.580 4.403 5.017
85 HD2 PHE 12 HD2 PHE 12 5.721 3.480 4.671
86 HE1 PHE 12 HE1 PHE 12 2.131 6.373 6.384
87 HE2 PHE 12 HE2 PHE 12 6.278 5.448 6.038
88 HZ PHE 12 HZ PHE 12 4.482 6.897 6.898
89 HA PRO 13 HA PRO 13 0.396 -1.513 4.722
90 HB2 PRO 13 HB2 PRO 13 -1.895 -0.148 5.226
91 HB3 PRO 13 HB3 PRO 13 -0.806 -0.701 6.504
92 HG2 PRO 13 HG2 PRO 13 -1.052 2.015 5.268
93 HG3 PRO 13 HG3 PRO 13 -0.861 1.576 6.975
94 HD2 PRO 13 HD2 PRO 13 1.205 2.438 5.453
95 HD3 PRO 13 HD3 PRO 13 1.414 1.268 6.772
96 H ASP 14 H ASP 14 -0.280 1.698 3.347
97 HA ASP 14 HA ASP 14 -2.131 0.998 1.420
98 HB2 ASP 14 HB2 ASP 14 -1.058 2.957 0.101
99 HB3 ASP 14 HB3 ASP 14 -1.790 3.293 1.668
Start of MODEL 6
1 H1 GLY 1 H GLY 1 1.287 1.326 1.134
2 HA2 GLY 1 HA2 GLY 1 1.701 -1.215 0.312
3 HA3 GLY 1 HA3 GLY 1 1.207 -0.417 -1.173
4 H ARG 2 H ARG 2 2.450 2.128 -0.423
5 HA ARG 2 HA ARG 2 4.944 1.787 -1.629
6 HB2 ARG 2 HB2 ARG 2 3.804 4.016 0.048
7 HB3 ARG 2 HB3 ARG 2 5.409 4.110 -0.665
8 HG2 ARG 2 HG2 ARG 2 2.884 3.661 -2.240
9 HG3 ARG 2 HG3 ARG 2 3.637 5.237 -1.985
10 HD2 ARG 2 HD2 ARG 2 4.933 2.862 -3.318
11 HD3 ARG 2 HD3 ARG 2 4.253 4.259 -4.150
12 HE ARG 2 HE ARG 2 6.805 4.091 -2.881
13 HH11 ARG 2 HH11 ARG 2 4.203 6.259 -3.688
14 HH12 ARG 2 HH12 ARG 2 5.208 7.670 -3.701
15 HH21 ARG 2 HH21 ARG 2 8.139 5.941 -2.895
16 HH22 ARG 2 HH22 ARG 2 7.447 7.488 -3.250
17 H CYS 3 H CYS 3 7.063 1.874 -0.815
18 HA CYS 3 HA CYS 3 7.318 1.216 2.046
19 HB2 CYS 3 HB2 CYS 3 8.667 -0.016 -0.347
20 HB3 CYS 3 HB3 CYS 3 9.375 -0.125 1.262
21 H THR 4 H THR 4 9.687 1.488 2.772
22 HA THR 4 HA THR 4 10.433 4.213 2.179
23 HB THR 4 HB THR 4 12.293 3.690 3.884
24 HG1 THR 4 HG1 THR 4 11.853 1.320 3.590
25 HG21 THR 4 HG21 THR 4 10.826 4.086 5.726
26 HG22 THR 4 HG22 THR 4 9.458 3.381 4.865
27 HG23 THR 4 HG23 THR 4 10.141 4.915 4.329
28 H GLN 5 H GLN 5 12.964 4.568 2.149
29 HA GLN 5 HA GLN 5 13.982 2.924 -0.067
30 HB2 GLN 5 HB2 GLN 5 14.741 5.741 0.728
31 HB3 GLN 5 HB3 GLN 5 15.384 4.855 -0.649
32 HG2 GLN 5 HG2 GLN 5 12.981 4.696 -1.465
33 HG3 GLN 5 HG3 GLN 5 12.609 5.912 -0.244
34 HE21 GLN 5 HE21 GLN 5 12.748 5.802 -3.304
35 HE22 GLN 5 HE22 GLN 5 13.623 7.234 -3.715
36 H ALA 6 H ALA 6 15.369 4.923 2.545
37 HA ALA 6 HA ALA 6 17.626 3.094 2.734
38 HB1 ALA 6 HB1 ALA 6 17.077 5.867 3.546
39 HB2 ALA 6 HB2 ALA 6 18.101 4.944 4.647
40 HB3 ALA 6 HB3 ALA 6 18.565 5.127 2.955
41 H TRP 7 H TRP 7 18.244 2.035 4.646
42 HA TRP 7 HA TRP 7 16.223 0.785 6.084
43 HB2 TRP 7 HB2 TRP 7 19.169 1.013 6.344
44 HB3 TRP 7 HB3 TRP 7 18.295 0.492 7.782
45 HD1 TRP 7 HD1 TRP 7 17.066 -0.573 4.327
46 HE1 TRP 7 HE1 TRP 7 17.387 -3.115 4.083
47 HE3 TRP 7 HE3 TRP 7 19.739 -1.467 8.593
48 HZ2 TRP 7 HZ2 TRP 7 18.611 -5.221 5.510
49 HZ3 TRP 7 HZ3 TRP 7 20.446 -3.773 9.080
50 HH2 TRP 7 HH2 TRP 7 19.892 -5.610 7.569
51 HA PRO 8 HA PRO 8 16.511 -0.233 8.348
52 HB2 PRO 8 HB2 PRO 8 14.311 -0.500 9.915
53 HB3 PRO 8 HB3 PRO 8 15.914 -0.136 10.564
54 HG2 PRO 8 HG2 PRO 8 13.632 1.718 10.003
55 HG3 PRO 8 HG3 PRO 8 14.716 1.671 11.406
56 HD2 PRO 8 HD2 PRO 8 15.027 3.444 9.383
57 HD3 PRO 8 HD3 PRO 8 16.400 2.791 10.300
58 HA PRO 9 HA PRO 9 13.494 -1.312 5.337
59 HB2 PRO 9 HB2 PRO 9 12.705 -3.784 6.135
60 HB3 PRO 9 HB3 PRO 9 14.294 -3.464 5.430
61 HG2 PRO 9 HG2 PRO 9 13.523 -3.765 8.307
62 HG3 PRO 9 HG3 PRO 9 14.931 -4.420 7.452
63 HD2 PRO 9 HD2 PRO 9 15.071 -2.210 9.012
64 HD3 PRO 9 HD3 PRO 9 16.087 -2.429 7.573
65 H ILE 10 H ILE 10 11.826 0.167 5.668
66 HA ILE 10 HA ILE 10 9.625 -0.768 7.392
67 HB ILE 10 HB ILE 10 10.110 2.088 6.552
68 HG12 ILE 10 HG12 ILE 10 10.776 0.758 9.188
69 HG13 ILE 10 HG13 ILE 10 11.951 1.269 7.982
70 HG21 ILE 10 HG21 ILE 10 7.812 1.651 7.084
71 HG22 ILE 10 HG22 ILE 10 8.267 0.821 8.571
72 HG23 ILE 10 HG23 ILE 10 8.531 2.557 8.415
73 HD11 ILE 10 HD11 ILE 10 10.337 3.504 8.551
74 HD12 ILE 10 HD12 ILE 10 10.780 2.770 10.093
75 HD13 ILE 10 HD13 ILE 10 12.035 3.249 8.950
76 H CYS 11 H CYS 11 7.495 -0.558 6.620
77 HA CYS 11 HA CYS 11 7.107 0.247 3.847
78 HB2 CYS 11 HB2 CYS 11 6.799 -2.553 4.869
79 HB3 CYS 11 HB3 CYS 11 5.739 -1.975 3.588
80 H PHE 12 H PHE 12 5.212 1.249 3.568
81 HA PHE 12 HA PHE 12 3.465 1.595 5.820
82 HB2 PHE 12 HB2 PHE 12 3.658 2.731 3.066
83 HB3 PHE 12 HB3 PHE 12 2.123 2.868 3.918
84 HD1 PHE 12 HD1 PHE 12 4.837 4.687 3.121
85 HD2 PHE 12 HD2 PHE 12 2.695 3.479 6.595
86 HE1 PHE 12 HE1 PHE 12 5.690 6.655 4.328
87 HE2 PHE 12 HE2 PHE 12 3.543 5.445 7.807
88 HZ PHE 12 HZ PHE 12 5.042 7.036 6.673
89 HA PRO 13 HA PRO 13 0.340 -1.364 4.974
90 HB2 PRO 13 HB2 PRO 13 -1.934 0.004 5.548
91 HB3 PRO 13 HB3 PRO 13 -0.800 -0.540 6.791
92 HG2 PRO 13 HG2 PRO 13 -1.091 2.167 5.546
93 HG3 PRO 13 HG3 PRO 13 -0.840 1.739 7.249
94 HD2 PRO 13 HD2 PRO 13 1.172 2.592 5.650
95 HD3 PRO 13 HD3 PRO 13 1.427 1.431 6.968
96 H ASP 14 H ASP 14 -0.253 1.825 3.541
97 HA ASP 14 HA ASP 14 -2.220 1.139 1.705
98 HB2 ASP 14 HB2 ASP 14 -1.162 3.055 0.321
99 HB3 ASP 14 HB3 ASP 14 -1.814 3.432 1.913
Start of MODEL 7
1 H1 GLY 1 H GLY 1 1.257 1.161 1.067
2 HA2 GLY 1 HA2 GLY 1 1.576 -1.447 0.420
3 HA3 GLY 1 HA3 GLY 1 1.087 -0.732 -1.109
4 H ARG 2 H ARG 2 2.423 1.813 -0.544
5 HA ARG 2 HA ARG 2 4.904 1.283 -1.733
6 HB2 ARG 2 HB2 ARG 2 3.535 3.485 -1.614
7 HB3 ARG 2 HB3 ARG 2 4.394 3.753 -0.103
8 HG2 ARG 2 HG2 ARG 2 6.507 3.272 -1.573
9 HG3 ARG 2 HG3 ARG 2 5.426 3.724 -2.893
10 HD2 ARG 2 HD2 ARG 2 5.822 5.422 -0.441
11 HD3 ARG 2 HD3 ARG 2 6.811 5.589 -1.891
12 HE ARG 2 HE ARG 2 4.086 5.712 -2.589
13 HH11 ARG 2 HH11 ARG 2 6.548 7.565 -0.969
14 HH12 ARG 2 HH12 ARG 2 5.829 9.095 -1.346
15 HH21 ARG 2 HH21 ARG 2 3.130 7.721 -3.093
16 HH22 ARG 2 HH22 ARG 2 3.884 9.183 -2.554
17 H CYS 3 H CYS 3 7.035 1.471 -0.913
18 HA CYS 3 HA CYS 3 7.252 0.977 1.985
19 HB2 CYS 3 HB2 CYS 3 8.732 -0.284 -0.319
20 HB3 CYS 3 HB3 CYS 3 9.351 -0.338 1.328
21 H THR 4 H THR 4 9.594 1.362 2.748
22 HA THR 4 HA THR 4 10.252 4.089 2.081
23 HB THR 4 HB THR 4 12.092 3.722 3.817
24 HG1 THR 4 HG1 THR 4 11.714 1.280 3.500
25 HG21 THR 4 HG21 THR 4 9.780 4.723 4.199
26 HG22 THR 4 HG22 THR 4 10.609 4.083 5.618
27 HG23 THR 4 HG23 THR 4 9.325 3.150 4.851
28 H GLN 5 H GLN 5 12.762 4.545 2.050
29 HA GLN 5 HA GLN 5 13.870 2.867 -0.098
30 HB2 GLN 5 HB2 GLN 5 13.395 5.234 -0.682
31 HB3 GLN 5 HB3 GLN 5 14.526 5.743 0.565
32 HG2 GLN 5 HG2 GLN 5 15.522 5.821 -1.660
33 HG3 GLN 5 HG3 GLN 5 16.350 4.673 -0.609
34 HE21 GLN 5 HE21 GLN 5 14.210 5.037 -3.336
35 HE22 GLN 5 HE22 GLN 5 14.388 3.430 -3.943
36 H ALA 6 H ALA 6 15.079 5.015 2.485
37 HA ALA 6 HA ALA 6 17.470 3.373 2.727
38 HB1 ALA 6 HB1 ALA 6 16.807 6.114 3.231
39 HB2 ALA 6 HB2 ALA 6 17.501 5.390 4.682
40 HB3 ALA 6 HB3 ALA 6 18.392 5.344 3.160
41 H TRP 7 H TRP 7 18.056 2.219 4.537
42 HA TRP 7 HA TRP 7 16.113 0.917 6.001
43 HB2 TRP 7 HB2 TRP 7 19.047 1.256 6.249
44 HB3 TRP 7 HB3 TRP 7 18.203 0.693 7.689
45 HD1 TRP 7 HD1 TRP 7 16.973 -0.401 4.247
46 HE1 TRP 7 HE1 TRP 7 17.399 -2.926 3.979
47 HE3 TRP 7 HE3 TRP 7 19.757 -1.207 8.459
48 HZ2 TRP 7 HZ2 TRP 7 18.737 -4.986 5.369
49 HZ3 TRP 7 HZ3 TRP 7 20.571 -3.483 8.917
50 HH2 TRP 7 HH2 TRP 7 20.070 -5.332 7.403
51 HA PRO 8 HA PRO 8 16.450 -0.110 8.254
52 HB2 PRO 8 HB2 PRO 8 14.268 -0.477 9.827
53 HB3 PRO 8 HB3 PRO 8 15.859 -0.056 10.473
54 HG2 PRO 8 HG2 PRO 8 13.503 1.712 9.938
55 HG3 PRO 8 HG3 PRO 8 14.594 1.694 11.336
56 HD2 PRO 8 HD2 PRO 8 14.826 3.497 9.329
57 HD3 PRO 8 HD3 PRO 8 16.228 2.890 10.234
58 HA PRO 9 HA PRO 9 13.465 -1.280 5.245
59 HB2 PRO 9 HB2 PRO 9 12.776 -3.788 6.024
60 HB3 PRO 9 HB3 PRO 9 14.349 -3.399 5.317
61 HG2 PRO 9 HG2 PRO 9 13.601 -3.755 8.193
62 HG3 PRO 9 HG3 PRO 9 15.031 -4.347 7.328
63 HD2 PRO 9 HD2 PRO 9 15.091 -2.148 8.906
64 HD3 PRO 9 HD3 PRO 9 16.109 -2.314 7.461
65 H ILE 10 H ILE 10 11.765 0.166 5.648
66 HA ILE 10 HA ILE 10 9.590 -0.901 7.328
67 HB ILE 10 HB ILE 10 9.999 2.000 6.608
68 HG12 ILE 10 HG12 ILE 10 10.687 0.577 9.189
69 HG13 ILE 10 HG13 ILE 10 11.854 1.174 8.015
70 HG21 ILE 10 HG21 ILE 10 7.710 1.478 7.106
71 HG22 ILE 10 HG22 ILE 10 8.180 0.605 8.563
72 HG23 ILE 10 HG23 ILE 10 8.397 2.352 8.475
73 HD11 ILE 10 HD11 ILE 10 11.038 3.460 8.414
74 HD12 ILE 10 HD12 ILE 10 9.946 2.829 9.648
75 HD13 ILE 10 HD13 ILE 10 11.691 2.700 9.865
76 H CYS 11 H CYS 11 7.458 -0.727 6.559
77 HA CYS 11 HA CYS 11 7.096 0.112 3.781
78 HB2 CYS 11 HB2 CYS 11 6.634 -2.649 4.865
79 HB3 CYS 11 HB3 CYS 11 5.661 -2.048 3.526
80 H PHE 12 H PHE 12 5.246 1.187 3.475
81 HA PHE 12 HA PHE 12 3.522 1.694 5.699
82 HB2 PHE 12 HB2 PHE 12 3.701 2.637 2.873
83 HB3 PHE 12 HB3 PHE 12 2.184 2.871 3.734
84 HD1 PHE 12 HD1 PHE 12 4.929 4.562 2.779
85 HD2 PHE 12 HD2 PHE 12 2.812 3.645 6.356
86 HE1 PHE 12 HE1 PHE 12 5.849 6.583 3.838
87 HE2 PHE 12 HE2 PHE 12 3.729 5.665 7.420
88 HZ PHE 12 HZ PHE 12 5.248 7.138 6.161
89 HA PRO 13 HA PRO 13 0.309 -1.230 5.099
90 HB2 PRO 13 HB2 PRO 13 -1.919 0.233 5.612
91 HB3 PRO 13 HB3 PRO 13 -0.780 -0.256 6.872
92 HG2 PRO 13 HG2 PRO 13 -1.021 2.368 5.451
93 HG3 PRO 13 HG3 PRO 13 -0.754 2.049 7.175
94 HD2 PRO 13 HD2 PRO 13 1.253 2.738 5.494
95 HD3 PRO 13 HD3 PRO 13 1.499 1.662 6.885
96 H ASP 14 H ASP 14 -0.233 1.872 3.467
97 HA ASP 14 HA ASP 14 -2.243 1.121 1.710
98 HB2 ASP 14 HB2 ASP 14 -1.150 2.901 0.178
99 HB3 ASP 14 HB3 ASP 14 -1.767 3.408 1.749
Start of MODEL 8
1 H1 GLY 1 H GLY 1 1.322 2.158 0.191
2 HA2 GLY 1 HA2 GLY 1 1.985 -0.305 1.110
3 HA3 GLY 1 HA3 GLY 1 1.576 -0.614 -0.571
4 H ARG 2 H ARG 2 3.126 2.289 0.698
5 HA ARG 2 HA ARG 2 5.242 2.044 -1.233
6 HB2 ARG 2 HB2 ARG 2 4.415 4.072 0.793
7 HB3 ARG 2 HB3 ARG 2 6.070 4.116 0.201
8 HG2 ARG 2 HG2 ARG 2 5.073 5.533 -1.277
9 HG3 ARG 2 HG3 ARG 2 4.891 4.007 -2.144
10 HD2 ARG 2 HD2 ARG 2 2.627 3.807 -1.521
11 HD3 ARG 2 HD3 ARG 2 2.776 5.055 -0.285
12 HE ARG 2 HE ARG 2 2.308 5.443 -3.093
13 HH11 ARG 2 HH11 ARG 2 3.543 6.878 -0.172
14 HH12 ARG 2 HH12 ARG 2 3.298 8.505 -0.712
15 HH21 ARG 2 HH21 ARG 2 1.980 7.581 -3.816
16 HH22 ARG 2 HH22 ARG 2 2.408 8.904 -2.785
17 H CYS 3 H CYS 3 7.553 2.374 -0.527
18 HA CYS 3 HA CYS 3 8.142 0.972 1.988
19 HB2 CYS 3 HB2 CYS 3 8.939 0.217 -0.777
20 HB3 CYS 3 HB3 CYS 3 10.147 0.024 0.489
21 H THR 4 H THR 4 10.587 1.120 2.456
22 HA THR 4 HA THR 4 11.426 3.891 1.922
23 HB THR 4 HB THR 4 12.858 3.579 3.998
24 HG1 THR 4 HG1 THR 4 12.785 1.345 4.216
25 HG21 THR 4 HG21 THR 4 9.862 3.397 4.346
26 HG22 THR 4 HG22 THR 4 10.766 4.871 3.999
27 HG23 THR 4 HG23 THR 4 11.010 4.026 5.527
28 H GLN 5 H GLN 5 13.005 4.055 0.480
29 HA GLN 5 HA GLN 5 14.533 1.983 -0.542
30 HB2 GLN 5 HB2 GLN 5 14.865 4.959 -0.501
31 HB3 GLN 5 HB3 GLN 5 16.155 3.953 -1.147
32 HG2 GLN 5 HG2 GLN 5 13.368 3.553 -2.119
33 HG3 GLN 5 HG3 GLN 5 14.308 4.921 -2.712
34 HE21 GLN 5 HE21 GLN 5 16.053 4.565 -4.043
35 HE22 GLN 5 HE22 GLN 5 16.384 3.032 -4.767
36 H ALA 6 H ALA 6 15.153 4.081 2.207
37 HA ALA 6 HA ALA 6 17.746 2.797 2.655
38 HB1 ALA 6 HB1 ALA 6 17.472 5.304 2.761
39 HB2 ALA 6 HB2 ALA 6 16.558 5.054 4.249
40 HB3 ALA 6 HB3 ALA 6 18.247 4.554 4.157
41 H TRP 7 H TRP 7 18.004 2.927 5.356
42 HA TRP 7 HA TRP 7 16.037 0.935 6.251
43 HB2 TRP 7 HB2 TRP 7 18.937 1.318 6.706
44 HB3 TRP 7 HB3 TRP 7 18.009 0.765 8.097
45 HD1 TRP 7 HD1 TRP 7 17.078 -0.384 4.569
46 HE1 TRP 7 HE1 TRP 7 17.528 -2.911 4.382
47 HE3 TRP 7 HE3 TRP 7 19.448 -1.121 9.039
48 HZ2 TRP 7 HZ2 TRP 7 18.727 -4.948 5.924
49 HZ3 TRP 7 HZ3 TRP 7 20.214 -3.389 9.607
50 HH2 TRP 7 HH2 TRP 7 19.860 -5.262 8.081
51 HA PRO 8 HA PRO 8 16.232 -0.095 8.525
52 HB2 PRO 8 HB2 PRO 8 13.948 -0.519 9.930
53 HB3 PRO 8 HB3 PRO 8 15.475 -0.064 10.694
54 HG2 PRO 8 HG2 PRO 8 13.125 1.651 9.988
55 HG3 PRO 8 HG3 PRO 8 14.109 1.654 11.463
56 HD2 PRO 8 HD2 PRO 8 14.448 3.468 9.482
57 HD3 PRO 8 HD3 PRO 8 15.792 2.891 10.489
58 HA PRO 9 HA PRO 9 13.533 -1.272 5.258
59 HB2 PRO 9 HB2 PRO 9 12.972 -3.852 5.887
60 HB3 PRO 9 HB3 PRO 9 14.553 -3.330 5.292
61 HG2 PRO 9 HG2 PRO 9 13.668 -3.867 8.101
62 HG3 PRO 9 HG3 PRO 9 15.182 -4.323 7.299
63 HD2 PRO 9 HD2 PRO 9 15.002 -2.200 8.970
64 HD3 PRO 9 HD3 PRO 9 16.110 -2.232 7.583
65 H ILE 10 H ILE 10 11.851 0.237 6.065
66 HA ILE 10 HA ILE 10 9.550 -1.218 7.194
67 HB ILE 10 HB ILE 10 8.737 0.842 8.139
68 HG12 ILE 10 HG12 ILE 10 10.915 2.625 7.851
69 HG13 ILE 10 HG13 ILE 10 10.543 2.021 6.240
70 HG21 ILE 10 HG21 ILE 10 11.666 0.615 8.805
71 HG22 ILE 10 HG22 ILE 10 10.371 1.199 9.848
72 HG23 ILE 10 HG23 ILE 10 10.430 -0.501 9.385
73 HD11 ILE 10 HD11 ILE 10 8.849 3.427 6.112
74 HD12 ILE 10 HD12 ILE 10 8.098 2.663 7.514
75 HD13 ILE 10 HD13 ILE 10 9.209 4.015 7.735
76 H CYS 11 H CYS 11 7.500 -0.831 6.319
77 HA CYS 11 HA CYS 11 7.350 0.796 3.892
78 HB2 CYS 11 HB2 CYS 11 6.526 -2.112 4.033
79 HB3 CYS 11 HB3 CYS 11 6.199 -1.032 2.681
80 H PHE 12 H PHE 12 5.349 1.667 3.483
81 HA PHE 12 HA PHE 12 3.525 1.737 5.699
82 HB2 PHE 12 HB2 PHE 12 3.755 3.135 3.072
83 HB3 PHE 12 HB3 PHE 12 2.193 3.140 3.884
84 HD1 PHE 12 HD1 PHE 12 2.666 3.511 6.623
85 HD2 PHE 12 HD2 PHE 12 4.860 5.116 3.348
86 HE1 PHE 12 HE1 PHE 12 3.408 5.381 8.041
87 HE2 PHE 12 HE2 PHE 12 5.606 6.988 4.761
88 HZ PHE 12 HZ PHE 12 4.881 7.121 7.111
89 HA PRO 13 HA PRO 13 0.536 -1.232 4.479
90 HB2 PRO 13 HB2 PRO 13 -1.801 -0.003 5.110
91 HB3 PRO 13 HB3 PRO 13 -0.683 -0.625 6.330
92 HG2 PRO 13 HG2 PRO 13 -1.038 2.177 5.339
93 HG3 PRO 13 HG3 PRO 13 -0.819 1.597 7.001
94 HD2 PRO 13 HD2 PRO 13 1.204 2.667 5.553
95 HD3 PRO 13 HD3 PRO 13 1.464 1.394 6.763
96 H ASP 14 H ASP 14 -0.179 2.060 3.358
97 HA ASP 14 HA ASP 14 -2.064 1.531 1.420
98 HB2 ASP 14 HB2 ASP 14 -0.907 3.531 0.197
99 HB3 ASP 14 HB3 ASP 14 -1.680 3.794 1.758
Start of MODEL 9
1 H1 GLY 1 H GLY 1 1.406 1.419 0.574
2 HA2 GLY 1 HA2 GLY 1 2.219 -0.763 -0.954
3 HA3 GLY 1 HA3 GLY 1 1.752 0.501 -2.083
4 H ARG 2 H ARG 2 2.608 2.647 -0.266
5 HA ARG 2 HA ARG 2 5.142 3.137 -1.229
6 HB2 ARG 2 HB2 ARG 2 3.656 4.813 -0.146
7 HB3 ARG 2 HB3 ARG 2 4.045 4.105 1.416
8 HG2 ARG 2 HG2 ARG 2 6.385 4.701 1.122
9 HG3 ARG 2 HG3 ARG 2 6.019 5.380 -0.466
10 HD2 ARG 2 HD2 ARG 2 4.571 6.348 1.966
11 HD3 ARG 2 HD3 ARG 2 6.184 6.952 1.593
12 HE ARG 2 HE ARG 2 3.752 7.660 0.292
13 HH11 ARG 2 HH11 ARG 2 7.164 7.196 -0.225
14 HH12 ARG 2 HH12 ARG 2 7.241 8.290 -1.567
15 HH21 ARG 2 HH21 ARG 2 3.842 9.102 -1.473
16 HH22 ARG 2 HH22 ARG 2 5.351 9.374 -2.275
17 H CYS 3 H CYS 3 7.224 2.859 -0.480
18 HA CYS 3 HA CYS 3 7.760 1.570 2.035
19 HB2 CYS 3 HB2 CYS 3 7.141 -0.390 0.740
20 HB3 CYS 3 HB3 CYS 3 8.243 0.078 -0.551
21 H THR 4 H THR 4 9.826 1.910 2.716
22 HA THR 4 HA THR 4 11.389 3.818 1.253
23 HB THR 4 HB THR 4 13.008 3.566 3.160
24 HG1 THR 4 HG1 THR 4 12.187 1.326 3.596
25 HG21 THR 4 HG21 THR 4 11.552 5.334 3.483
26 HG22 THR 4 HG22 THR 4 11.232 4.350 4.911
27 HG23 THR 4 HG23 THR 4 10.132 4.291 3.535
28 H GLN 5 H GLN 5 12.930 3.411 -0.183
29 HA GLN 5 HA GLN 5 13.648 0.801 -0.958
30 HB2 GLN 5 HB2 GLN 5 15.356 1.919 -2.368
31 HB3 GLN 5 HB3 GLN 5 13.754 2.624 -2.539
32 HG2 GLN 5 HG2 GLN 5 14.455 4.392 -0.915
33 HG3 GLN 5 HG3 GLN 5 16.089 3.737 -1.010
34 HE21 GLN 5 HE21 GLN 5 13.505 5.231 -2.855
35 HE22 GLN 5 HE22 GLN 5 14.513 5.880 -4.099
36 H ALA 6 H ALA 6 15.247 3.191 1.087
37 HA ALA 6 HA ALA 6 17.428 1.302 1.608
38 HB1 ALA 6 HB1 ALA 6 18.298 3.414 1.086
39 HB2 ALA 6 HB2 ALA 6 17.115 4.248 2.095
40 HB3 ALA 6 HB3 ALA 6 18.407 3.308 2.843
41 H TRP 7 H TRP 7 18.247 1.796 4.065
42 HA TRP 7 HA TRP 7 16.062 0.789 5.706
43 HB2 TRP 7 HB2 TRP 7 19.016 0.689 5.806
44 HB3 TRP 7 HB3 TRP 7 18.203 0.778 7.366
45 HD1 TRP 7 HD1 TRP 7 16.624 -1.151 4.465
46 HE1 TRP 7 HE1 TRP 7 16.599 -3.655 5.058
47 HE3 TRP 7 HE3 TRP 7 19.404 -0.996 8.752
48 HZ2 TRP 7 HZ2 TRP 7 17.623 -5.342 7.076
49 HZ3 TRP 7 HZ3 TRP 7 19.835 -3.099 9.955
50 HH2 TRP 7 HH2 TRP 7 18.961 -5.226 9.133
51 HA PRO 8 HA PRO 8 16.368 0.446 8.166
52 HB2 PRO 8 HB2 PRO 8 14.245 0.916 9.792
53 HB3 PRO 8 HB3 PRO 8 15.913 1.257 10.268
54 HG2 PRO 8 HG2 PRO 8 13.817 3.128 9.234
55 HG3 PRO 8 HG3 PRO 8 14.969 3.361 10.563
56 HD2 PRO 8 HD2 PRO 8 15.354 4.417 8.099
57 HD3 PRO 8 HD3 PRO 8 16.698 3.899 9.137
58 HA PRO 9 HA PRO 9 13.085 -1.091 5.678
59 HB2 PRO 9 HB2 PRO 9 12.081 -3.111 7.188
60 HB3 PRO 9 HB3 PRO 9 13.652 -3.202 6.384
61 HG2 PRO 9 HG2 PRO 9 13.019 -2.560 9.239
62 HG3 PRO 9 HG3 PRO 9 14.298 -3.598 8.583
63 HD2 PRO 9 HD2 PRO 9 14.764 -1.065 9.417
64 HD3 PRO 9 HD3 PRO 9 15.667 -1.812 8.083
65 H ILE 10 H ILE 10 11.846 0.933 5.951
66 HA ILE 10 HA ILE 10 9.460 0.534 7.636
67 HB ILE 10 HB ILE 10 10.667 3.152 6.732
68 HG12 ILE 10 HG12 ILE 10 11.979 2.066 8.497
69 HG13 ILE 10 HG13 ILE 10 11.159 3.495 9.117
70 HG21 ILE 10 HG21 ILE 10 8.950 4.004 8.472
71 HG22 ILE 10 HG22 ILE 10 8.396 3.586 6.852
72 HG23 ILE 10 HG23 ILE 10 8.147 2.461 8.186
73 HD11 ILE 10 HD11 ILE 10 9.375 1.445 9.605
74 HD12 ILE 10 HD12 ILE 10 10.954 0.736 9.946
75 HD13 ILE 10 HD13 ILE 10 10.451 2.209 10.775
76 H CYS 11 H CYS 11 7.813 -0.112 6.421
77 HA CYS 11 HA CYS 11 7.238 1.356 3.949
78 HB2 CYS 11 HB2 CYS 11 6.962 -1.645 4.124
79 HB3 CYS 11 HB3 CYS 11 6.802 -0.629 2.695
80 H PHE 12 H PHE 12 4.998 1.158 3.247
81 HA PHE 12 HA PHE 12 3.200 0.704 5.534
82 HB2 PHE 12 HB2 PHE 12 3.216 2.707 3.322
83 HB3 PHE 12 HB3 PHE 12 1.661 2.195 3.968
84 HD1 PHE 12 HD1 PHE 12 0.853 3.054 5.988
85 HD2 PHE 12 HD2 PHE 12 4.920 3.681 4.900
86 HE1 PHE 12 HE1 PHE 12 1.103 4.642 7.851
87 HE2 PHE 12 HE2 PHE 12 5.176 5.269 6.762
88 HZ PHE 12 HZ PHE 12 3.267 5.751 8.241
89 HA PRO 13 HA PRO 13 0.985 -2.436 3.420
90 HB2 PRO 13 HB2 PRO 13 -1.588 -1.898 4.101
91 HB3 PRO 13 HB3 PRO 13 -0.408 -2.550 5.244
92 HG2 PRO 13 HG2 PRO 13 -1.332 0.274 4.879
93 HG3 PRO 13 HG3 PRO 13 -1.055 -0.627 6.381
94 HD2 PRO 13 HD2 PRO 13 0.738 1.147 5.395
95 HD3 PRO 13 HD3 PRO 13 1.225 -0.296 6.307
96 H ASP 14 H ASP 14 -0.328 0.828 2.984
97 HA ASP 14 HA ASP 14 -2.016 0.428 0.846
98 HB2 ASP 14 HB2 ASP 14 -1.197 2.816 0.159
99 HB3 ASP 14 HB3 ASP 14 -2.062 2.593 1.677
Start of MODEL 10
1 H1 GLY 1 H GLY 1 1.842 1.715 0.986
2 HA2 GLY 1 HA2 GLY 1 2.254 -0.795 0.074
3 HA3 GLY 1 HA3 GLY 1 1.866 0.080 -1.400
4 H ARG 2 H ARG 2 3.112 2.560 -0.456
5 HA ARG 2 HA ARG 2 5.652 2.250 -1.547
6 HB2 ARG 2 HB2 ARG 2 4.736 4.376 0.399
7 HB3 ARG 2 HB3 ARG 2 6.134 4.483 -0.662
8 HG2 ARG 2 HG2 ARG 2 4.726 4.486 -2.608
9 HG3 ARG 2 HG3 ARG 2 3.295 4.199 -1.617
10 HD2 ARG 2 HD2 ARG 2 3.803 6.367 -0.448
11 HD3 ARG 2 HD3 ARG 2 5.035 6.656 -1.676
12 HE ARG 2 HE ARG 2 3.378 7.178 -3.171
13 HH11 ARG 2 HH11 ARG 2 1.976 5.604 -0.400
14 HH12 ARG 2 HH12 ARG 2 0.343 5.924 -0.881
15 HH21 ARG 2 HH21 ARG 2 1.232 7.605 -3.815
16 HH22 ARG 2 HH22 ARG 2 -0.080 7.062 -2.824
17 H CYS 3 H CYS 3 7.719 2.120 -0.668
18 HA CYS 3 HA CYS 3 7.882 1.439 2.189
19 HB2 CYS 3 HB2 CYS 3 7.921 -0.588 0.649
20 HB3 CYS 3 HB3 CYS 3 9.467 0.010 0.055
21 H THR 4 H THR 4 9.980 1.753 3.147
22 HA THR 4 HA THR 4 11.245 4.143 2.220
23 HB THR 4 HB THR 4 12.859 3.653 4.146
24 HG1 THR 4 HG1 THR 4 12.640 1.533 4.579
25 HG21 THR 4 HG21 THR 4 10.880 5.166 4.274
26 HG22 THR 4 HG22 THR 4 11.283 4.393 5.808
27 HG23 THR 4 HG23 THR 4 9.927 3.798 4.850
28 H GLN 5 H GLN 5 12.727 4.228 0.675
29 HA GLN 5 HA GLN 5 13.973 2.043 -0.509
30 HB2 GLN 5 HB2 GLN 5 13.733 4.441 -1.384
31 HB3 GLN 5 HB3 GLN 5 15.185 4.799 -0.459
32 HG2 GLN 5 HG2 GLN 5 16.534 3.553 -1.826
33 HG3 GLN 5 HG3 GLN 5 15.218 2.504 -2.350
34 HE21 GLN 5 HE21 GLN 5 14.476 2.829 -4.317
35 HE22 GLN 5 HE22 GLN 5 14.639 4.279 -5.242
36 H ALA 6 H ALA 6 15.008 4.073 2.166
37 HA ALA 6 HA ALA 6 17.521 2.581 2.372
38 HB1 ALA 6 HB1 ALA 6 18.428 4.424 3.243
39 HB2 ALA 6 HB2 ALA 6 16.969 5.253 2.702
40 HB3 ALA 6 HB3 ALA 6 17.084 4.662 4.360
41 H TRP 7 H TRP 7 18.049 2.710 5.036
42 HA TRP 7 HA TRP 7 16.068 0.840 6.122
43 HB2 TRP 7 HB2 TRP 7 18.996 1.171 6.404
44 HB3 TRP 7 HB3 TRP 7 18.135 0.672 7.857
45 HD1 TRP 7 HD1 TRP 7 17.072 -0.526 4.371
46 HE1 TRP 7 HE1 TRP 7 17.427 -3.072 4.240
47 HE3 TRP 7 HE3 TRP 7 19.469 -1.242 8.830
48 HZ2 TRP 7 HZ2 TRP 7 18.570 -5.114 5.819
49 HZ3 TRP 7 HZ3 TRP 7 20.160 -3.522 9.444
50 HH2 TRP 7 HH2 TRP 7 19.718 -5.417 7.969
51 HA PRO 8 HA PRO 8 16.355 -0.134 8.404
52 HB2 PRO 8 HB2 PRO 8 14.139 -0.460 9.939
53 HB3 PRO 8 HB3 PRO 8 15.717 -0.027 10.609
54 HG2 PRO 8 HG2 PRO 8 13.377 1.732 9.983
55 HG3 PRO 8 HG3 PRO 8 14.439 1.746 11.404
56 HD2 PRO 8 HD2 PRO 8 14.717 3.500 9.360
57 HD3 PRO 8 HD3 PRO 8 16.098 2.912 10.309
58 HA PRO 9 HA PRO 9 13.449 -1.331 5.329
59 HB2 PRO 9 HB2 PRO 9 12.826 -3.865 6.080
60 HB3 PRO 9 HB3 PRO 9 14.393 -3.425 5.391
61 HG2 PRO 9 HG2 PRO 9 13.630 -3.827 8.258
62 HG3 PRO 9 HG3 PRO 9 15.084 -4.370 7.400
63 HD2 PRO 9 HD2 PRO 9 15.066 -2.183 8.997
64 HD3 PRO 9 HD3 PRO 9 16.102 -2.308 7.561
65 H ILE 10 H ILE 10 11.857 0.260 6.131
66 HA ILE 10 HA ILE 10 9.570 -1.058 7.445
67 HB ILE 10 HB ILE 10 10.434 0.710 8.856
68 HG12 ILE 10 HG12 ILE 10 8.010 1.960 7.620
69 HG13 ILE 10 HG13 ILE 10 7.878 0.359 8.338
70 HG21 ILE 10 HG21 ILE 10 10.675 2.975 8.162
71 HG22 ILE 10 HG22 ILE 10 11.515 1.973 6.980
72 HG23 ILE 10 HG23 ILE 10 9.927 2.639 6.601
73 HD11 ILE 10 HD11 ILE 10 8.010 1.152 10.430
74 HD12 ILE 10 HD12 ILE 10 9.210 2.374 10.006
75 HD13 ILE 10 HD13 ILE 10 7.502 2.663 9.677
76 H CYS 11 H CYS 11 7.836 -1.330 6.217
77 HA CYS 11 HA CYS 11 7.519 0.376 3.836
78 HB2 CYS 11 HB2 CYS 11 6.533 -2.450 4.276
79 HB3 CYS 11 HB3 CYS 11 6.293 -1.495 2.817
80 H PHE 12 H PHE 12 5.602 1.385 3.470
81 HA PHE 12 HA PHE 12 3.819 1.669 5.700
82 HB2 PHE 12 HB2 PHE 12 4.095 2.925 3.007
83 HB3 PHE 12 HB3 PHE 12 2.547 3.063 3.834
84 HD1 PHE 12 HD1 PHE 12 3.083 3.529 6.550
85 HD2 PHE 12 HD2 PHE 12 5.316 4.850 3.175
86 HE1 PHE 12 HE1 PHE 12 3.956 5.413 7.869
87 HE2 PHE 12 HE2 PHE 12 6.193 6.736 4.490
88 HZ PHE 12 HZ PHE 12 5.513 7.020 6.840
89 HA PRO 13 HA PRO 13 0.628 -1.157 4.665
90 HB2 PRO 13 HB2 PRO 13 -1.617 0.250 5.257
91 HB3 PRO 13 HB3 PRO 13 -0.524 -0.380 6.495
92 HG2 PRO 13 HG2 PRO 13 -0.714 2.386 5.365
93 HG3 PRO 13 HG3 PRO 13 -0.510 1.877 7.052
94 HD2 PRO 13 HD2 PRO 13 1.557 2.740 5.530
95 HD3 PRO 13 HD3 PRO 13 1.753 1.516 6.801
96 H ASP 14 H ASP 14 0.295 2.081 3.299
97 HA ASP 14 HA ASP 14 -1.689 1.500 1.396
98 HB2 ASP 14 HB2 ASP 14 -0.647 3.508 0.171
99 HB3 ASP 14 HB3 ASP 14 -1.295 3.783 1.786
Start of MODEL 11
1 H1 GLY 1 H GLY 1 1.687 0.066 0.812
2 HA2 GLY 1 HA2 GLY 1 2.139 -0.499 -1.765
3 HA3 GLY 1 HA3 GLY 1 1.325 1.053 -1.898
4 H ARG 2 H ARG 2 2.299 2.627 -0.049
5 HA ARG 2 HA ARG 2 4.773 3.445 -0.957
6 HB2 ARG 2 HB2 ARG 2 3.053 4.664 0.546
7 HB3 ARG 2 HB3 ARG 2 3.920 3.923 1.885
8 HG2 ARG 2 HG2 ARG 2 5.534 5.370 -0.130
9 HG3 ARG 2 HG3 ARG 2 4.515 6.334 0.941
10 HD2 ARG 2 HD2 ARG 2 5.705 5.771 2.806
11 HD3 ARG 2 HD3 ARG 2 6.174 4.198 2.163
12 HE ARG 2 HE ARG 2 8.079 5.157 1.357
13 HH11 ARG 2 HH11 ARG 2 5.737 7.663 1.955
14 HH12 ARG 2 HH12 ARG 2 6.836 8.955 1.604
15 HH21 ARG 2 HH21 ARG 2 9.536 6.850 0.892
16 HH22 ARG 2 HH22 ARG 2 8.996 8.491 0.998
17 H CYS 3 H CYS 3 6.886 3.236 -0.232
18 HA CYS 3 HA CYS 3 7.559 1.590 2.019
19 HB2 CYS 3 HB2 CYS 3 7.005 -0.144 0.359
20 HB3 CYS 3 HB3 CYS 3 8.174 0.554 -0.757
21 H THR 4 H THR 4 9.710 1.787 2.625
22 HA THR 4 HA THR 4 11.122 3.998 1.364
23 HB THR 4 HB THR 4 12.643 3.857 3.321
24 HG1 THR 4 HG1 THR 4 12.215 1.535 3.652
25 HG21 THR 4 HG21 THR 4 9.704 3.951 4.015
26 HG22 THR 4 HG22 THR 4 10.670 5.298 3.414
27 HG23 THR 4 HG23 THR 4 11.014 4.603 4.997
28 H GLN 5 H GLN 5 12.624 3.659 -0.125
29 HA GLN 5 HA GLN 5 13.568 1.127 -0.874
30 HB2 GLN 5 HB2 GLN 5 13.519 3.164 -2.327
31 HB3 GLN 5 HB3 GLN 5 14.897 3.783 -1.427
32 HG2 GLN 5 HG2 GLN 5 16.039 1.572 -2.091
33 HG3 GLN 5 HG3 GLN 5 14.761 1.459 -3.300
34 HE21 GLN 5 HE21 GLN 5 16.742 1.514 -4.684
35 HE22 GLN 5 HE22 GLN 5 17.305 3.063 -5.199
36 H ALA 6 H ALA 6 15.032 3.662 1.117
37 HA ALA 6 HA ALA 6 17.367 2.003 1.633
38 HB1 ALA 6 HB1 ALA 6 16.736 4.712 2.787
39 HB2 ALA 6 HB2 ALA 6 18.303 3.903 2.728
40 HB3 ALA 6 HB3 ALA 6 17.545 4.467 1.239
41 H TRP 7 H TRP 7 18.003 2.609 4.210
42 HA TRP 7 HA TRP 7 15.951 1.123 5.686
43 HB2 TRP 7 HB2 TRP 7 18.902 1.304 5.829
44 HB3 TRP 7 HB3 TRP 7 18.065 1.155 7.372
45 HD1 TRP 7 HD1 TRP 7 16.744 -0.621 4.249
46 HE1 TRP 7 HE1 TRP 7 16.959 -3.162 4.597
47 HE3 TRP 7 HE3 TRP 7 19.397 -0.620 8.619
48 HZ2 TRP 7 HZ2 TRP 7 18.102 -4.932 6.476
49 HZ3 TRP 7 HZ3 TRP 7 20.011 -2.779 9.627
50 HH2 TRP 7 HH2 TRP 7 19.376 -4.889 8.576
51 HA PRO 8 HA PRO 8 16.229 0.590 8.099
52 HB2 PRO 8 HB2 PRO 8 14.040 0.728 9.699
53 HB3 PRO 8 HB3 PRO 8 15.662 1.162 10.251
54 HG2 PRO 8 HG2 PRO 8 13.435 2.939 9.332
55 HG3 PRO 8 HG3 PRO 8 14.535 3.143 10.709
56 HD2 PRO 8 HD2 PRO 8 14.879 4.451 8.362
57 HD3 PRO 8 HD3 PRO 8 16.241 3.953 9.387
58 HA PRO 9 HA PRO 9 13.174 -0.928 5.322
59 HB2 PRO 9 HB2 PRO 9 12.460 -3.265 6.504
60 HB3 PRO 9 HB3 PRO 9 14.020 -3.029 5.707
61 HG2 PRO 9 HG2 PRO 9 13.343 -2.909 8.621
62 HG3 PRO 9 HG3 PRO 9 14.738 -3.662 7.827
63 HD2 PRO 9 HD2 PRO 9 14.881 -1.243 9.035
64 HD3 PRO 9 HD3 PRO 9 15.857 -1.659 7.611
65 H ILE 10 H ILE 10 11.739 0.910 6.004
66 HA ILE 10 HA ILE 10 9.395 -0.101 7.479
67 HB ILE 10 HB ILE 10 10.411 1.715 8.710
68 HG12 ILE 10 HG12 ILE 10 8.040 2.959 7.341
69 HG13 ILE 10 HG13 ILE 10 7.851 1.523 8.343
70 HG21 ILE 10 HG21 ILE 10 11.538 2.699 6.676
71 HG22 ILE 10 HG22 ILE 10 10.005 3.494 6.319
72 HG23 ILE 10 HG23 ILE 10 10.860 3.860 7.818
73 HD11 ILE 10 HD11 ILE 10 7.435 3.131 9.887
74 HD12 ILE 10 HD12 ILE 10 9.184 3.002 10.076
75 HD13 ILE 10 HD13 ILE 10 8.495 4.309 9.113
76 H CYS 11 H CYS 11 7.685 -0.444 6.240
77 HA CYS 11 HA CYS 11 7.132 1.389 4.020
78 HB2 CYS 11 HB2 CYS 11 6.869 -1.604 3.724
79 HB3 CYS 11 HB3 CYS 11 6.700 -0.380 2.471
80 H PHE 12 H PHE 12 4.972 1.725 3.590
81 HA PHE 12 HA PHE 12 3.159 1.049 5.720
82 HB2 PHE 12 HB2 PHE 12 3.076 2.811 3.315
83 HB3 PHE 12 HB3 PHE 12 1.545 2.295 4.014
84 HD1 PHE 12 HD1 PHE 12 3.580 4.960 3.911
85 HD2 PHE 12 HD2 PHE 12 1.845 2.374 6.812
86 HE1 PHE 12 HE1 PHE 12 3.759 6.740 5.600
87 HE2 PHE 12 HE2 PHE 12 2.020 4.150 8.505
88 HZ PHE 12 HZ PHE 12 2.977 6.337 7.900
89 HA PRO 13 HA PRO 13 1.051 -2.380 3.979
90 HB2 PRO 13 HB2 PRO 13 -1.541 -1.863 4.600
91 HB3 PRO 13 HB3 PRO 13 -0.340 -2.338 5.807
92 HG2 PRO 13 HG2 PRO 13 -1.366 0.391 5.128
93 HG3 PRO 13 HG3 PRO 13 -1.059 -0.325 6.721
94 HD2 PRO 13 HD2 PRO 13 0.669 1.391 5.537
95 HD3 PRO 13 HD3 PRO 13 1.207 0.079 6.605
96 H ASP 14 H ASP 14 -0.105 0.808 3.070
97 HA ASP 14 HA ASP 14 -1.914 0.205 1.076
98 HB2 ASP 14 HB2 ASP 14 -1.797 2.469 1.491
99 HB3 ASP 14 HB3 ASP 14 -0.036 2.475 1.550
Start of MODEL 12
1 H1 GLY 1 H GLY 1 1.604 1.119 1.117
2 HA2 GLY 1 HA2 GLY 1 1.883 -1.393 0.405
3 HA3 GLY 1 HA3 GLY 1 1.426 -0.722 -1.153
4 H ARG 2 H ARG 2 2.826 1.801 -0.693
5 HA ARG 2 HA ARG 2 5.303 1.150 -1.830
6 HB2 ARG 2 HB2 ARG 2 5.854 3.479 -1.618
7 HB3 ARG 2 HB3 ARG 2 4.148 3.354 -2.029
8 HG2 ARG 2 HG2 ARG 2 3.536 3.759 0.283
9 HG3 ARG 2 HG3 ARG 2 5.240 3.821 0.738
10 HD2 ARG 2 HD2 ARG 2 3.793 5.712 -1.113
11 HD3 ARG 2 HD3 ARG 2 4.366 6.065 0.517
12 HE ARG 2 HE ARG 2 5.909 6.078 -1.891
13 HH11 ARG 2 HH11 ARG 2 6.045 5.574 1.551
14 HH12 ARG 2 HH12 ARG 2 7.725 5.978 1.675
15 HH21 ARG 2 HH21 ARG 2 8.122 6.612 -1.740
16 HH22 ARG 2 HH22 ARG 2 8.905 6.569 -0.197
17 H CYS 3 H CYS 3 7.394 1.125 -1.014
18 HA CYS 3 HA CYS 3 7.597 0.904 1.918
19 HB2 CYS 3 HB2 CYS 3 9.263 -0.571 -0.130
20 HB3 CYS 3 HB3 CYS 3 9.323 -0.776 1.618
21 H THR 4 H THR 4 9.969 1.153 2.643
22 HA THR 4 HA THR 4 10.913 3.686 1.555
23 HB THR 4 HB THR 4 12.494 3.588 3.551
24 HG1 THR 4 HG1 THR 4 12.524 1.617 4.373
25 HG21 THR 4 HG21 THR 4 9.585 3.459 4.318
26 HG22 THR 4 HG22 THR 4 10.271 4.816 3.423
27 HG23 THR 4 HG23 THR 4 10.864 4.435 5.040
28 H GLN 5 H GLN 5 12.474 3.749 0.090
29 HA GLN 5 HA GLN 5 13.925 1.504 -0.769
30 HB2 GLN 5 HB2 GLN 5 15.183 3.037 -2.153
31 HB3 GLN 5 HB3 GLN 5 13.488 3.506 -2.160
32 HG2 GLN 5 HG2 GLN 5 14.008 5.226 -0.455
33 HG3 GLN 5 HG3 GLN 5 15.713 4.804 -0.607
34 HE21 GLN 5 HE21 GLN 5 13.509 6.991 -1.513
35 HE22 GLN 5 HE22 GLN 5 14.180 7.509 -3.018
36 H ALA 6 H ALA 6 14.681 4.044 1.537
37 HA ALA 6 HA ALA 6 17.294 2.792 2.045
38 HB1 ALA 6 HB1 ALA 6 18.065 4.828 2.890
39 HB2 ALA 6 HB2 ALA 6 17.080 5.287 1.500
40 HB3 ALA 6 HB3 ALA 6 16.432 5.452 3.132
41 H TRP 7 H TRP 7 17.805 1.965 4.015
42 HA TRP 7 HA TRP 7 15.851 0.960 5.683
43 HB2 TRP 7 HB2 TRP 7 18.781 1.348 5.883
44 HB3 TRP 7 HB3 TRP 7 17.929 1.085 7.402
45 HD1 TRP 7 HD1 TRP 7 16.739 -0.678 4.232
46 HE1 TRP 7 HE1 TRP 7 17.157 -3.205 4.485
47 HE3 TRP 7 HE3 TRP 7 19.449 -0.623 8.566
48 HZ2 TRP 7 HZ2 TRP 7 18.462 -4.945 6.284
49 HZ3 TRP 7 HZ3 TRP 7 20.245 -2.761 9.487
50 HH2 TRP 7 HH2 TRP 7 19.760 -4.876 8.368
51 HA PRO 8 HA PRO 8 16.171 0.389 8.097
52 HB2 PRO 8 HB2 PRO 8 13.976 0.320 9.692
53 HB3 PRO 8 HB3 PRO 8 15.558 0.867 10.259
54 HG2 PRO 8 HG2 PRO 8 13.200 2.484 9.372
55 HG3 PRO 8 HG3 PRO 8 14.278 2.744 10.756
56 HD2 PRO 8 HD2 PRO 8 14.522 4.126 8.440
57 HD3 PRO 8 HD3 PRO 8 15.917 3.714 9.458
58 HA PRO 9 HA PRO 9 13.248 -1.308 5.284
59 HB2 PRO 9 HB2 PRO 9 12.699 -3.710 6.425
60 HB3 PRO 9 HB3 PRO 9 14.243 -3.348 5.643
61 HG2 PRO 9 HG2 PRO 9 13.543 -3.324 8.553
62 HG3 PRO 9 HG3 PRO 9 14.994 -3.961 7.756
63 HD2 PRO 9 HD2 PRO 9 14.953 -1.557 9.002
64 HD3 PRO 9 HD3 PRO 9 15.964 -1.877 7.579
65 H ILE 10 H ILE 10 11.668 0.398 5.960
66 HA ILE 10 HA ILE 10 9.409 -0.790 7.435
67 HB ILE 10 HB ILE 10 10.315 1.132 8.626
68 HG12 ILE 10 HG12 ILE 10 7.810 2.210 7.405
69 HG13 ILE 10 HG13 ILE 10 7.741 0.658 8.233
70 HG21 ILE 10 HG21 ILE 10 9.615 2.840 6.253
71 HG22 ILE 10 HG22 ILE 10 10.507 3.296 7.703
72 HG23 ILE 10 HG23 ILE 10 11.237 2.205 6.526
73 HD11 ILE 10 HD11 ILE 10 8.976 2.011 10.126
74 HD12 ILE 10 HD12 ILE 10 8.197 3.375 9.323
75 HD13 ILE 10 HD13 ILE 10 7.222 2.047 9.951
76 H CYS 11 H CYS 11 7.613 -1.133 6.311
77 HA CYS 11 HA CYS 11 7.221 0.363 3.802
78 HB2 CYS 11 HB2 CYS 11 7.808 -2.111 3.582
79 HB3 CYS 11 HB3 CYS 11 6.230 -2.443 4.290
80 H PHE 12 H PHE 12 5.346 1.412 3.574
81 HA PHE 12 HA PHE 12 3.521 1.553 5.759
82 HB2 PHE 12 HB2 PHE 12 3.768 2.845 3.087
83 HB3 PHE 12 HB3 PHE 12 2.189 2.879 3.866
84 HD1 PHE 12 HD1 PHE 12 1.834 5.004 4.668
85 HD2 PHE 12 HD2 PHE 12 5.639 3.184 5.242
86 HE1 PHE 12 HE1 PHE 12 2.546 6.928 6.027
87 HE2 PHE 12 HE2 PHE 12 6.356 5.105 6.602
88 HZ PHE 12 HZ PHE 12 4.809 6.979 6.997
89 HA PRO 13 HA PRO 13 0.459 -1.407 4.711
90 HB2 PRO 13 HB2 PRO 13 -1.851 -0.098 5.279
91 HB3 PRO 13 HB3 PRO 13 -0.741 -0.674 6.528
92 HG2 PRO 13 HG2 PRO 13 -1.044 2.076 5.385
93 HG3 PRO 13 HG3 PRO 13 -0.831 1.584 7.075
94 HD2 PRO 13 HD2 PRO 13 1.207 2.531 5.566
95 HD3 PRO 13 HD3 PRO 13 1.447 1.322 6.844
96 H ASP 14 H ASP 14 0.022 1.803 3.315
97 HA ASP 14 HA ASP 14 -1.946 1.184 1.423
98 HB2 ASP 14 HB2 ASP 14 -1.297 3.212 0.294
99 HB3 ASP 14 HB3 ASP 14 -1.189 3.487 2.030
Start of MODEL 13
1 H1 GLY 1 H GLY 1 1.513 1.535 1.332
2 HA2 GLY 1 HA2 GLY 1 1.848 -0.846 0.261
3 HA3 GLY 1 HA3 GLY 1 1.393 0.045 -1.183
4 H ARG 2 H ARG 2 2.733 2.495 -0.347
5 HA ARG 2 HA ARG 2 5.230 2.081 -1.534
6 HB2 ARG 2 HB2 ARG 2 4.089 4.268 -1.433
7 HB3 ARG 2 HB3 ARG 2 4.394 4.336 0.297
8 HG2 ARG 2 HG2 ARG 2 6.724 4.549 -0.024
9 HG3 ARG 2 HG3 ARG 2 6.598 4.124 -1.732
10 HD2 ARG 2 HD2 ARG 2 5.426 6.596 -0.461
11 HD3 ARG 2 HD3 ARG 2 6.935 6.541 -1.371
12 HE ARG 2 HE ARG 2 4.257 6.507 -2.436
13 HH11 ARG 2 HH11 ARG 2 7.604 5.749 -3.023
14 HH12 ARG 2 HH12 ARG 2 7.450 5.808 -4.747
15 HH21 ARG 2 HH21 ARG 2 4.042 6.588 -4.705
16 HH22 ARG 2 HH22 ARG 2 5.424 6.287 -5.703
17 H CYS 3 H CYS 3 7.281 1.810 -0.746
18 HA CYS 3 HA CYS 3 7.491 1.205 2.132
19 HB2 CYS 3 HB2 CYS 3 7.741 -0.728 0.489
20 HB3 CYS 3 HB3 CYS 3 9.242 0.034 -0.028
21 H THR 4 H THR 4 9.546 1.645 3.143
22 HA THR 4 HA THR 4 10.591 4.192 2.397
23 HB THR 4 HB THR 4 12.236 3.745 4.285
24 HG1 THR 4 HG1 THR 4 12.342 1.674 4.755
25 HG21 THR 4 HG21 THR 4 10.023 4.935 4.503
26 HG22 THR 4 HG22 THR 4 10.621 4.184 5.983
27 HG23 THR 4 HG23 THR 4 9.340 3.405 5.053
28 H GLN 5 H GLN 5 12.184 4.622 1.027
29 HA GLN 5 HA GLN 5 13.581 2.644 -0.391
30 HB2 GLN 5 HB2 GLN 5 13.151 5.015 -1.132
31 HB3 GLN 5 HB3 GLN 5 14.441 5.517 -0.048
32 HG2 GLN 5 HG2 GLN 5 15.394 5.374 -2.193
33 HG3 GLN 5 HG3 GLN 5 15.957 3.957 -1.308
34 HE21 GLN 5 HE21 GLN 5 13.687 5.094 -3.729
35 HE22 GLN 5 HE22 GLN 5 13.468 3.570 -4.512
36 H ALA 6 H ALA 6 14.491 4.606 2.401
37 HA ALA 6 HA ALA 6 17.094 3.285 2.532
38 HB1 ALA 6 HB1 ALA 6 16.466 5.149 4.681
39 HB2 ALA 6 HB2 ALA 6 17.836 5.118 3.569
40 HB3 ALA 6 HB3 ALA 6 16.315 5.863 3.074
41 H TRP 7 H TRP 7 17.601 3.241 5.205
42 HA TRP 7 HA TRP 7 15.767 1.141 6.124
43 HB2 TRP 7 HB2 TRP 7 18.675 1.641 6.437
44 HB3 TRP 7 HB3 TRP 7 17.849 0.918 7.814
45 HD1 TRP 7 HD1 TRP 7 16.775 0.031 4.256
46 HE1 TRP 7 HE1 TRP 7 17.346 -2.440 3.814
47 HE3 TRP 7 HE3 TRP 7 19.453 -0.955 8.498
48 HZ2 TRP 7 HZ2 TRP 7 18.745 -4.530 5.094
49 HZ3 TRP 7 HZ3 TRP 7 20.372 -3.216 8.813
50 HH2 TRP 7 HH2 TRP 7 20.025 -4.965 7.145
51 HA PRO 8 HA PRO 8 16.145 -0.012 8.307
52 HB2 PRO 8 HB2 PRO 8 13.976 -0.608 9.827
53 HB3 PRO 8 HB3 PRO 8 15.534 -0.141 10.518
54 HG2 PRO 8 HG2 PRO 8 13.084 1.521 10.074
55 HG3 PRO 8 HG3 PRO 8 14.164 1.472 11.480
56 HD2 PRO 8 HD2 PRO 8 14.306 3.416 9.600
57 HD3 PRO 8 HD3 PRO 8 15.734 2.831 10.479
58 HA PRO 9 HA PRO 9 13.284 -1.070 5.138
59 HB2 PRO 9 HB2 PRO 9 12.901 -3.718 5.599
60 HB3 PRO 9 HB3 PRO 9 14.406 -3.065 4.940
61 HG2 PRO 9 HG2 PRO 9 13.758 -3.860 7.752
62 HG3 PRO 9 HG3 PRO 9 15.230 -4.170 6.813
63 HD2 PRO 9 HD2 PRO 9 15.066 -2.191 8.655
64 HD3 PRO 9 HD3 PRO 9 16.069 -2.058 7.196
65 H ILE 10 H ILE 10 11.617 0.293 6.248
66 HA ILE 10 HA ILE 10 9.459 -1.385 7.353
67 HB ILE 10 HB ILE 10 8.605 0.696 8.436
68 HG12 ILE 10 HG12 ILE 10 11.047 2.160 8.545
69 HG13 ILE 10 HG13 ILE 10 10.664 1.877 6.850
70 HG21 ILE 10 HG21 ILE 10 9.840 0.356 10.332
71 HG22 ILE 10 HG22 ILE 10 10.274 -1.086 9.416
72 HG23 ILE 10 HG23 ILE 10 11.370 0.295 9.457
73 HD11 ILE 10 HD11 ILE 10 8.662 3.049 6.985
74 HD12 ILE 10 HD12 ILE 10 8.611 2.945 8.745
75 HD13 ILE 10 HD13 ILE 10 9.782 4.003 7.958
76 H CYS 11 H CYS 11 7.803 -1.636 6.023
77 HA CYS 11 HA CYS 11 7.335 0.378 3.936
78 HB2 CYS 11 HB2 CYS 11 6.234 -2.433 4.085
79 HB3 CYS 11 HB3 CYS 11 6.169 -1.341 2.706
80 H PHE 12 H PHE 12 5.215 1.114 3.496
81 HA PHE 12 HA PHE 12 3.559 1.277 5.880
82 HB2 PHE 12 HB2 PHE 12 3.785 2.811 3.336
83 HB3 PHE 12 HB3 PHE 12 2.232 2.825 4.164
84 HD1 PHE 12 HD1 PHE 12 5.857 3.397 4.776
85 HD2 PHE 12 HD2 PHE 12 1.852 4.353 5.854
86 HE1 PHE 12 HE1 PHE 12 6.686 5.152 6.288
87 HE2 PHE 12 HE2 PHE 12 2.675 6.110 7.366
88 HZ PHE 12 HZ PHE 12 5.094 6.512 7.585
89 HA PRO 13 HA PRO 13 0.376 -1.469 4.629
90 HB2 PRO 13 HB2 PRO 13 -1.874 -0.152 5.385
91 HB3 PRO 13 HB3 PRO 13 -0.755 -0.884 6.541
92 HG2 PRO 13 HG2 PRO 13 -0.992 1.974 5.683
93 HG3 PRO 13 HG3 PRO 13 -0.756 1.311 7.310
94 HD2 PRO 13 HD2 PRO 13 1.278 2.339 5.847
95 HD3 PRO 13 HD3 PRO 13 1.506 1.002 6.992
96 H ASP 14 H ASP 14 -0.028 1.883 3.590
97 HA ASP 14 HA ASP 14 -2.030 1.455 1.665
98 HB2 ASP 14 HB2 ASP 14 -1.400 3.620 0.763
99 HB3 ASP 14 HB3 ASP 14 -1.373 3.686 2.523
Start of MODEL 14
1 H1 GLY 1 H GLY 1 1.133 0.708 0.953
2 HA2 GLY 1 HA2 GLY 1 1.447 -0.950 -1.320
3 HA3 GLY 1 HA3 GLY 1 0.850 0.626 -1.817
4 H ARG 2 H ARG 2 2.128 2.448 -0.463
5 HA ARG 2 HA ARG 2 4.644 2.634 -1.579
6 HB2 ARG 2 HB2 ARG 2 3.213 4.449 -0.453
7 HB3 ARG 2 HB3 ARG 2 3.965 3.932 1.051
8 HG2 ARG 2 HG2 ARG 2 6.131 4.541 0.266
9 HG3 ARG 2 HG3 ARG 2 5.516 4.835 -1.362
10 HD2 ARG 2 HD2 ARG 2 4.403 6.783 -0.719
11 HD3 ARG 2 HD3 ARG 2 4.446 6.351 0.990
12 HE ARG 2 HE ARG 2 6.426 7.790 -0.449
13 HH11 ARG 2 HH11 ARG 2 6.000 5.467 2.110
14 HH12 ARG 2 HH12 ARG 2 7.464 5.905 2.927
15 HH21 ARG 2 HH21 ARG 2 8.355 8.375 0.619
16 HH22 ARG 2 HH22 ARG 2 8.802 7.560 2.079
17 H CYS 3 H CYS 3 6.770 2.559 -0.648
18 HA CYS 3 HA CYS 3 7.161 1.148 1.842
19 HB2 CYS 3 HB2 CYS 3 7.486 -0.170 -0.802
20 HB3 CYS 3 HB3 CYS 3 8.734 -0.478 0.402
21 H THR 4 H THR 4 9.490 0.921 2.365
22 HA THR 4 HA THR 4 10.975 3.204 1.267
23 HB THR 4 HB THR 4 12.380 3.014 3.313
24 HG1 THR 4 HG1 THR 4 11.481 0.661 3.534
25 HG21 THR 4 HG21 THR 4 10.974 4.554 4.095
26 HG22 THR 4 HG22 THR 4 9.952 3.270 4.741
27 HG23 THR 4 HG23 THR 4 9.668 3.890 3.115
28 H GLN 5 H GLN 5 13.014 2.997 0.437
29 HA GLN 5 HA GLN 5 13.795 0.325 -0.372
30 HB2 GLN 5 HB2 GLN 5 15.492 1.488 -1.738
31 HB3 GLN 5 HB3 GLN 5 13.865 2.085 -2.039
32 HG2 GLN 5 HG2 GLN 5 14.296 4.026 -0.648
33 HG3 GLN 5 HG3 GLN 5 15.910 3.420 -0.279
34 HE21 GLN 5 HE21 GLN 5 17.007 2.701 -2.524
35 HE22 GLN 5 HE22 GLN 5 17.046 3.979 -3.686
36 H ALA 6 H ALA 6 14.957 2.901 1.716
37 HA ALA 6 HA ALA 6 17.374 1.412 2.371
38 HB1 ALA 6 HB1 ALA 6 16.491 4.003 3.611
39 HB2 ALA 6 HB2 ALA 6 18.121 3.341 3.494
40 HB3 ALA 6 HB3 ALA 6 17.303 3.930 2.047
41 H TRP 7 H TRP 7 17.807 1.886 4.972
42 HA TRP 7 HA TRP 7 15.661 0.361 6.279
43 HB2 TRP 7 HB2 TRP 7 17.531 -0.079 8.004
44 HB3 TRP 7 HB3 TRP 7 17.632 -0.894 6.445
45 HD1 TRP 7 HD1 TRP 7 18.965 2.473 7.880
46 HE1 TRP 7 HE1 TRP 7 21.390 2.763 7.068
47 HE3 TRP 7 HE3 TRP 7 19.407 -1.797 5.104
48 HZ2 TRP 7 HZ2 TRP 7 23.245 1.366 5.462
49 HZ3 TRP 7 HZ3 TRP 7 21.539 -2.246 3.961
50 HH2 TRP 7 HH2 TRP 7 23.417 -0.695 4.137
51 HA PRO 8 HA PRO 8 15.731 -0.331 8.624
52 HB2 PRO 8 HB2 PRO 8 13.463 -0.123 10.102
53 HB3 PRO 8 HB3 PRO 8 15.077 0.136 10.776
54 HG2 PRO 8 HG2 PRO 8 13.059 2.151 9.864
55 HG3 PRO 8 HG3 PRO 8 14.082 2.168 11.313
56 HD2 PRO 8 HD2 PRO 8 14.675 3.601 9.093
57 HD3 PRO 8 HD3 PRO 8 15.927 2.923 10.154
58 HA PRO 9 HA PRO 9 12.708 -1.447 5.632
59 HB2 PRO 9 HB2 PRO 9 11.602 -3.683 6.702
60 HB3 PRO 9 HB3 PRO 9 13.240 -3.645 6.040
61 HG2 PRO 9 HG2 PRO 9 12.345 -3.468 8.891
62 HG3 PRO 9 HG3 PRO 9 13.692 -4.389 8.197
63 HD2 PRO 9 HD2 PRO 9 14.044 -2.021 9.464
64 HD3 PRO 9 HD3 PRO 9 15.074 -2.546 8.116
65 H ILE 10 H ILE 10 11.390 0.472 6.037
66 HA ILE 10 HA ILE 10 8.966 -0.067 7.613
67 HB ILE 10 HB ILE 10 10.035 2.576 6.615
68 HG12 ILE 10 HG12 ILE 10 11.396 1.642 8.421
69 HG13 ILE 10 HG13 ILE 10 10.481 3.032 8.995
70 HG21 ILE 10 HG21 ILE 10 7.530 1.791 8.032
71 HG22 ILE 10 HG22 ILE 10 8.257 3.362 8.360
72 HG23 ILE 10 HG23 ILE 10 7.765 2.944 6.719
73 HD11 ILE 10 HD11 ILE 10 8.862 1.536 10.034
74 HD12 ILE 10 HD12 ILE 10 9.780 0.144 9.459
75 HD13 ILE 10 HD13 ILE 10 10.494 1.248 10.635
76 H CYS 11 H CYS 11 7.401 -0.898 6.392
77 HA CYS 11 HA CYS 11 7.002 0.197 3.686
78 HB2 CYS 11 HB2 CYS 11 6.820 -2.533 4.798
79 HB3 CYS 11 HB3 CYS 11 5.530 -2.087 3.687
80 H PHE 12 H PHE 12 5.152 1.217 3.233
81 HA PHE 12 HA PHE 12 3.311 1.832 5.310
82 HB2 PHE 12 HB2 PHE 12 3.641 2.543 2.452
83 HB3 PHE 12 HB3 PHE 12 2.013 2.683 3.106
84 HD1 PHE 12 HD1 PHE 12 5.518 3.611 3.980
85 HD2 PHE 12 HD2 PHE 12 1.398 4.678 4.057
86 HE1 PHE 12 HE1 PHE 12 6.104 5.791 4.959
87 HE2 PHE 12 HE2 PHE 12 1.978 6.860 5.035
88 HZ PHE 12 HZ PHE 12 4.334 7.419 5.487
89 HA PRO 13 HA PRO 13 0.222 -1.256 4.917
90 HB2 PRO 13 HB2 PRO 13 -2.073 0.167 5.194
91 HB3 PRO 13 HB3 PRO 13 -0.967 -0.142 6.537
92 HG2 PRO 13 HG2 PRO 13 -1.244 2.306 4.836
93 HG3 PRO 13 HG3 PRO 13 -1.032 2.182 6.592
94 HD2 PRO 13 HD2 PRO 13 1.013 2.765 4.916
95 HD3 PRO 13 HD3 PRO 13 1.243 1.853 6.421
96 H ASP 14 H ASP 14 -0.619 1.662 3.049
97 HA ASP 14 HA ASP 14 -2.422 0.550 1.277
98 HB2 ASP 14 HB2 ASP 14 -1.473 2.348 -0.344
99 HB3 ASP 14 HB3 ASP 14 -2.245 2.869 1.151
Start of MODEL 15
1 H1 GLY 1 H GLY 1 1.604 0.485 1.397
2 HA2 GLY 1 HA2 GLY 1 2.149 -1.472 -0.272
3 HA3 GLY 1 HA3 GLY 1 1.538 -0.295 -1.425
4 H ARG 2 H ARG 2 2.616 2.025 -0.155
5 HA ARG 2 HA ARG 2 5.068 2.251 -1.401
6 HB2 ARG 2 HB2 ARG 2 3.485 4.026 -0.252
7 HB3 ARG 2 HB3 ARG 2 4.583 3.805 1.104
8 HG2 ARG 2 HG2 ARG 2 6.459 4.485 -0.242
9 HG3 ARG 2 HG3 ARG 2 5.437 4.576 -1.678
10 HD2 ARG 2 HD2 ARG 2 4.048 6.239 -0.206
11 HD3 ARG 2 HD3 ARG 2 5.559 6.388 0.690
12 HE ARG 2 HE ARG 2 6.166 6.710 -2.001
13 HH11 ARG 2 HH11 ARG 2 4.286 8.320 0.448
14 HH12 ARG 2 HH12 ARG 2 4.480 9.892 -0.252
15 HH21 ARG 2 HH21 ARG 2 6.429 8.775 -2.932
16 HH22 ARG 2 HH22 ARG 2 5.699 10.150 -2.176
17 H CYS 3 H CYS 3 7.228 2.459 -0.531
18 HA CYS 3 HA CYS 3 7.734 1.127 2.016
19 HB2 CYS 3 HB2 CYS 3 8.614 0.117 -0.672
20 HB3 CYS 3 HB3 CYS 3 9.596 -0.193 0.756
21 H THR 4 H THR 4 10.189 1.142 2.457
22 HA THR 4 HA THR 4 11.206 3.792 1.677
23 HB THR 4 HB THR 4 12.641 3.595 3.735
24 HG1 THR 4 HG1 THR 4 12.174 1.182 3.782
25 HG21 THR 4 HG21 THR 4 9.714 3.382 4.403
26 HG22 THR 4 HG22 THR 4 10.397 4.791 3.591
27 HG23 THR 4 HG23 THR 4 10.953 4.347 5.204
28 H GLN 5 H GLN 5 12.729 3.718 0.168
29 HA GLN 5 HA GLN 5 14.117 1.449 -0.655
30 HB2 GLN 5 HB2 GLN 5 14.661 4.388 -0.997
31 HB3 GLN 5 HB3 GLN 5 15.730 3.171 -1.680
32 HG2 GLN 5 HG2 GLN 5 13.694 2.216 -2.831
33 HG3 GLN 5 HG3 GLN 5 12.846 3.680 -2.336
34 HE21 GLN 5 HE21 GLN 5 13.352 5.627 -3.298
35 HE22 GLN 5 HE22 GLN 5 14.309 5.738 -4.732
36 H ALA 6 H ALA 6 14.937 3.880 1.746
37 HA ALA 6 HA ALA 6 17.530 2.624 2.231
38 HB1 ALA 6 HB1 ALA 6 18.050 4.515 3.587
39 HB2 ALA 6 HB2 ALA 6 17.295 5.113 2.109
40 HB3 ALA 6 HB3 ALA 6 16.366 5.038 3.606
41 H TRP 7 H TRP 7 17.915 2.991 4.885
42 HA TRP 7 HA TRP 7 15.992 1.102 6.056
43 HB2 TRP 7 HB2 TRP 7 18.911 1.497 6.317
44 HB3 TRP 7 HB3 TRP 7 18.060 1.095 7.806
45 HD1 TRP 7 HD1 TRP 7 16.889 -0.393 4.490
46 HE1 TRP 7 HE1 TRP 7 17.326 -2.929 4.521
47 HE3 TRP 7 HE3 TRP 7 19.589 -0.697 8.820
48 HZ2 TRP 7 HZ2 TRP 7 18.641 -4.810 6.165
49 HZ3 TRP 7 HZ3 TRP 7 20.400 -2.902 9.552
50 HH2 TRP 7 HH2 TRP 7 19.934 -4.914 8.251
51 HA PRO 8 HA PRO 8 16.295 0.281 8.400
52 HB2 PRO 8 HB2 PRO 8 14.083 0.005 9.949
53 HB3 PRO 8 HB3 PRO 8 15.649 0.515 10.592
54 HG2 PRO 8 HG2 PRO 8 13.273 2.178 9.851
55 HG3 PRO 8 HG3 PRO 8 14.330 2.306 11.270
56 HD2 PRO 8 HD2 PRO 8 14.576 3.932 9.118
57 HD3 PRO 8 HD3 PRO 8 15.966 3.436 10.105
58 HA PRO 9 HA PRO 9 13.422 -1.181 5.408
59 HB2 PRO 9 HB2 PRO 9 12.839 -3.666 6.331
60 HB3 PRO 9 HB3 PRO 9 14.402 -3.248 5.619
61 HG2 PRO 9 HG2 PRO 9 13.632 -3.465 8.503
62 HG3 PRO 9 HG3 PRO 9 15.099 -4.040 7.691
63 HD2 PRO 9 HD2 PRO 9 15.035 -1.749 9.133
64 HD3 PRO 9 HD3 PRO 9 16.080 -1.955 7.712
65 H ILE 10 H ILE 10 11.784 0.415 6.051
66 HA ILE 10 HA ILE 10 9.527 -0.830 7.482
67 HB ILE 10 HB ILE 10 10.399 1.111 8.688
68 HG12 ILE 10 HG12 ILE 10 8.276 2.441 8.763
69 HG13 ILE 10 HG13 ILE 10 7.719 1.544 7.354
70 HG21 ILE 10 HG21 ILE 10 9.602 2.835 6.363
71 HG22 ILE 10 HG22 ILE 10 10.550 3.270 7.784
72 HG23 ILE 10 HG23 ILE 10 11.243 2.217 6.551
73 HD11 ILE 10 HD11 ILE 10 7.692 0.809 10.143
74 HD12 ILE 10 HD12 ILE 10 6.836 0.095 8.776
75 HD13 ILE 10 HD13 ILE 10 8.482 -0.417 9.152
76 H CYS 11 H CYS 11 7.705 -1.130 6.375
77 HA CYS 11 HA CYS 11 7.335 0.357 3.858
78 HB2 CYS 11 HB2 CYS 11 6.952 -2.567 4.444
79 HB3 CYS 11 HB3 CYS 11 6.060 -1.786 3.142
80 H PHE 12 H PHE 12 5.443 1.373 3.620
81 HA PHE 12 HA PHE 12 3.609 1.517 5.778
82 HB2 PHE 12 HB2 PHE 12 3.767 2.678 3.034
83 HB3 PHE 12 HB3 PHE 12 2.217 2.725 3.868
84 HD1 PHE 12 HD1 PHE 12 5.805 3.584 4.354
85 HD2 PHE 12 HD2 PHE 12 1.752 4.461 5.316
86 HE1 PHE 12 HE1 PHE 12 6.534 5.586 5.584
87 HE2 PHE 12 HE2 PHE 12 2.475 6.465 6.547
88 HZ PHE 12 HZ PHE 12 4.868 7.030 6.682
89 HA PRO 13 HA PRO 13 0.651 -1.598 4.891
90 HB2 PRO 13 HB2 PRO 13 -1.697 -0.354 5.445
91 HB3 PRO 13 HB3 PRO 13 -0.549 -0.841 6.697
92 HG2 PRO 13 HG2 PRO 13 -0.969 1.851 5.457
93 HG3 PRO 13 HG3 PRO 13 -0.715 1.432 7.161
94 HD2 PRO 13 HD2 PRO 13 1.266 2.394 5.586
95 HD3 PRO 13 HD3 PRO 13 1.568 1.244 6.904
96 H ASP 14 H ASP 14 0.068 1.540 3.386
97 HA ASP 14 HA ASP 14 -1.902 0.790 1.553
98 HB2 ASP 14 HB2 ASP 14 -1.394 2.798 0.377
99 HB3 ASP 14 HB3 ASP 14 -1.114 3.137 2.083
Start of MODEL 16
1 H1 GLY 1 H GLY 1 1.718 0.371 0.858
2 HA2 GLY 1 HA2 GLY 1 1.720 -0.260 -1.787
3 HA3 GLY 1 HA3 GLY 1 1.313 1.450 -1.783
4 H ARG 2 H ARG 2 2.846 2.962 -0.986
5 HA ARG 2 HA ARG 2 5.450 2.581 -1.809
6 HB2 ARG 2 HB2 ARG 2 4.175 4.747 -1.132
7 HB3 ARG 2 HB3 ARG 2 4.832 4.433 0.469
8 HG2 ARG 2 HG2 ARG 2 7.055 4.661 -0.292
9 HG3 ARG 2 HG3 ARG 2 6.555 4.615 -1.984
10 HD2 ARG 2 HD2 ARG 2 7.056 6.885 -1.408
11 HD3 ARG 2 HD3 ARG 2 5.311 6.735 -1.609
12 HE ARG 2 HE ARG 2 6.153 6.404 1.108
13 HH11 ARG 2 HH11 ARG 2 5.356 8.736 -1.350
14 HH12 ARG 2 HH12 ARG 2 4.911 9.970 -0.219
15 HH21 ARG 2 HH21 ARG 2 5.570 8.020 2.608
16 HH22 ARG 2 HH22 ARG 2 5.034 9.563 2.032
17 H CYS 3 H CYS 3 7.450 2.485 -0.574
18 HA CYS 3 HA CYS 3 7.338 1.435 2.119
19 HB2 CYS 3 HB2 CYS 3 6.984 -0.619 0.927
20 HB3 CYS 3 HB3 CYS 3 8.283 -0.250 -0.204
21 H THR 4 H THR 4 9.215 1.749 3.239
22 HA THR 4 HA THR 4 11.035 3.665 2.309
23 HB THR 4 HB THR 4 12.250 3.357 4.328
24 HG1 THR 4 HG1 THR 4 11.260 0.749 4.138
25 HG21 THR 4 HG21 THR 4 9.908 4.220 4.543
26 HG22 THR 4 HG22 THR 4 10.543 3.471 6.009
27 HG23 THR 4 HG23 THR 4 9.408 2.589 4.988
28 H GLN 5 H GLN 5 12.570 3.447 0.830
29 HA GLN 5 HA GLN 5 13.472 0.932 -0.120
30 HB2 GLN 5 HB2 GLN 5 14.262 3.779 -0.615
31 HB3 GLN 5 HB3 GLN 5 15.266 2.475 -1.235
32 HG2 GLN 5 HG2 GLN 5 12.326 2.562 -1.787
33 HG3 GLN 5 HG3 GLN 5 13.471 3.480 -2.763
34 HE21 GLN 5 HE21 GLN 5 14.578 2.467 -4.322
35 HE22 GLN 5 HE22 GLN 5 14.515 0.770 -4.635
36 H ALA 6 H ALA 6 14.813 3.317 2.099
37 HA ALA 6 HA ALA 6 17.145 1.588 2.545
38 HB1 ALA 6 HB1 ALA 6 16.660 4.457 3.334
39 HB2 ALA 6 HB2 ALA 6 18.118 3.537 3.704
40 HB3 ALA 6 HB3 ALA 6 17.696 3.882 2.027
41 H TRP 7 H TRP 7 17.729 0.918 4.624
42 HA TRP 7 HA TRP 7 15.728 0.028 6.296
43 HB2 TRP 7 HB2 TRP 7 17.606 -0.080 8.057
44 HB3 TRP 7 HB3 TRP 7 17.827 -0.988 6.564
45 HD1 TRP 7 HD1 TRP 7 18.820 2.525 7.909
46 HE1 TRP 7 HE1 TRP 7 21.187 3.054 7.048
47 HE3 TRP 7 HE3 TRP 7 19.622 -1.677 5.110
48 HZ2 TRP 7 HZ2 TRP 7 23.136 1.850 5.399
49 HZ3 TRP 7 HZ3 TRP 7 21.764 -1.911 3.921
50 HH2 TRP 7 HH2 TRP 7 23.483 -0.183 4.064
51 HA PRO 8 HA PRO 8 15.822 -0.459 8.684
52 HB2 PRO 8 HB2 PRO 8 13.519 -0.364 10.117
53 HB3 PRO 8 HB3 PRO 8 15.086 0.110 10.784
54 HG2 PRO 8 HG2 PRO 8 12.893 1.830 9.691
55 HG3 PRO 8 HG3 PRO 8 13.882 2.068 11.143
56 HD2 PRO 8 HD2 PRO 8 14.369 3.370 8.820
57 HD3 PRO 8 HD3 PRO 8 15.662 2.910 9.946
58 HA PRO 9 HA PRO 9 12.989 -2.103 5.750
59 HB2 PRO 9 HB2 PRO 9 12.124 -4.369 6.971
60 HB3 PRO 9 HB3 PRO 9 13.756 -4.194 6.317
61 HG2 PRO 9 HG2 PRO 9 12.808 -3.920 9.143
62 HG3 PRO 9 HG3 PRO 9 14.259 -4.730 8.523
63 HD2 PRO 9 HD2 PRO 9 14.329 -2.256 9.621
64 HD3 PRO 9 HD3 PRO 9 15.429 -2.755 8.319
65 H ILE 10 H ILE 10 11.525 -0.219 6.192
66 HA ILE 10 HA ILE 10 9.042 -1.113 7.505
67 HB ILE 10 HB ILE 10 10.043 1.716 7.161
68 HG12 ILE 10 HG12 ILE 10 9.730 -0.006 9.630
69 HG13 ILE 10 HG13 ILE 10 11.253 0.489 8.900
70 HG21 ILE 10 HG21 ILE 10 7.540 0.679 8.485
71 HG22 ILE 10 HG22 ILE 10 8.090 2.354 8.497
72 HG23 ILE 10 HG23 ILE 10 7.621 1.591 6.978
73 HD11 ILE 10 HD11 ILE 10 9.214 2.314 10.150
74 HD12 ILE 10 HD12 ILE 10 10.753 1.821 10.857
75 HD13 ILE 10 HD13 ILE 10 10.730 2.820 9.404
76 H CYS 11 H CYS 11 7.114 -0.861 6.438
77 HA CYS 11 HA CYS 11 7.125 0.404 3.801
78 HB2 CYS 11 HB2 CYS 11 6.175 -2.427 4.295
79 HB3 CYS 11 HB3 CYS 11 5.994 -1.538 2.786
80 H PHE 12 H PHE 12 5.269 1.443 3.327
81 HA PHE 12 HA PHE 12 3.364 1.902 5.352
82 HB2 PHE 12 HB2 PHE 12 3.649 2.670 2.487
83 HB3 PHE 12 HB3 PHE 12 2.063 2.853 3.230
84 HD1 PHE 12 HD1 PHE 12 1.575 4.883 4.169
85 HD2 PHE 12 HD2 PHE 12 5.635 3.613 4.005
86 HE1 PHE 12 HE1 PHE 12 2.282 7.026 5.150
87 HE2 PHE 12 HE2 PHE 12 6.347 5.754 4.987
88 HZ PHE 12 HZ PHE 12 4.670 7.463 5.562
89 HA PRO 13 HA PRO 13 0.323 -1.214 4.825
90 HB2 PRO 13 HB2 PRO 13 -1.995 0.167 5.119
91 HB3 PRO 13 HB3 PRO 13 -0.900 -0.169 6.465
92 HG2 PRO 13 HG2 PRO 13 -1.193 2.327 4.838
93 HG3 PRO 13 HG3 PRO 13 -1.000 2.151 6.592
94 HD2 PRO 13 HD2 PRO 13 1.056 2.816 4.959
95 HD3 PRO 13 HD3 PRO 13 1.282 1.860 6.438
96 H ASP 14 H ASP 14 -0.101 1.687 2.864
97 HA ASP 14 HA ASP 14 -1.997 0.584 1.065
98 HB2 ASP 14 HB2 ASP 14 -1.208 2.503 -0.430
99 HB3 ASP 14 HB3 ASP 14 -1.889 2.942 1.134
Start of MODEL 17
1 H1 GLY 1 H GLY 1 1.427 0.524 1.069
2 HA2 GLY 1 HA2 GLY 1 1.518 -0.761 -1.313
3 HA3 GLY 1 HA3 GLY 1 0.988 0.852 -1.767
4 H ARG 2 H ARG 2 2.382 2.641 -0.684
5 HA ARG 2 HA ARG 2 4.927 2.547 -1.762
6 HB2 ARG 2 HB2 ARG 2 3.762 4.624 -1.111
7 HB3 ARG 2 HB3 ARG 2 4.008 4.220 0.583
8 HG2 ARG 2 HG2 ARG 2 6.195 4.805 0.551
9 HG3 ARG 2 HG3 ARG 2 6.415 4.320 -1.132
10 HD2 ARG 2 HD2 ARG 2 6.587 6.765 -0.790
11 HD3 ARG 2 HD3 ARG 2 5.297 6.308 -1.901
12 HE ARG 2 HE ARG 2 4.117 6.490 0.578
13 HH11 ARG 2 HH11 ARG 2 5.880 8.614 -1.544
14 HH12 ARG 2 HH12 ARG 2 5.068 10.045 -1.000
15 HH21 ARG 2 HH21 ARG 2 3.042 8.367 1.303
16 HH22 ARG 2 HH22 ARG 2 3.455 9.903 0.621
17 H CYS 3 H CYS 3 7.023 2.455 -0.786
18 HA CYS 3 HA CYS 3 7.224 1.269 1.864
19 HB2 CYS 3 HB2 CYS 3 7.923 -0.146 -0.683
20 HB3 CYS 3 HB3 CYS 3 8.866 -0.460 0.770
21 H THR 4 H THR 4 9.575 0.985 2.487
22 HA THR 4 HA THR 4 11.059 3.327 1.533
23 HB THR 4 HB THR 4 12.382 3.134 3.587
24 HG1 THR 4 HG1 THR 4 12.283 0.890 3.911
25 HG21 THR 4 HG21 THR 4 9.387 3.120 3.915
26 HG22 THR 4 HG22 THR 4 10.463 4.513 3.800
27 HG23 THR 4 HG23 THR 4 10.493 3.492 5.237
28 H GLN 5 H GLN 5 13.112 3.200 0.726
29 HA GLN 5 HA GLN 5 13.981 0.555 -0.132
30 HB2 GLN 5 HB2 GLN 5 15.057 3.289 -0.846
31 HB3 GLN 5 HB3 GLN 5 15.545 1.769 -1.584
32 HG2 GLN 5 HG2 GLN 5 14.054 2.621 -3.118
33 HG3 GLN 5 HG3 GLN 5 13.048 1.520 -2.178
34 HE21 GLN 5 HE21 GLN 5 14.005 4.904 -2.466
35 HE22 GLN 5 HE22 GLN 5 12.514 5.561 -1.893
36 H ALA 6 H ALA 6 15.057 3.233 1.876
37 HA ALA 6 HA ALA 6 17.570 1.896 2.486
38 HB1 ALA 6 HB1 ALA 6 18.343 3.913 3.060
39 HB2 ALA 6 HB2 ALA 6 16.878 4.540 2.303
40 HB3 ALA 6 HB3 ALA 6 16.926 4.276 4.046
41 H TRP 7 H TRP 7 17.888 0.642 4.207
42 HA TRP 7 HA TRP 7 15.876 -0.307 5.837
43 HB2 TRP 7 HB2 TRP 7 17.753 -1.034 7.376
44 HB3 TRP 7 HB3 TRP 7 17.907 -1.540 5.696
45 HD1 TRP 7 HD1 TRP 7 19.886 -0.473 4.264
46 HE1 TRP 7 HE1 TRP 7 22.024 0.789 4.941
47 HE3 TRP 7 HE3 TRP 7 18.679 0.627 9.109
48 HZ2 TRP 7 HZ2 TRP 7 23.063 2.079 7.227
49 HZ3 TRP 7 HZ3 TRP 7 20.301 1.878 10.473
50 HH2 TRP 7 HH2 TRP 7 22.447 2.587 9.550
51 HA PRO 8 HA PRO 8 15.992 -1.224 8.078
52 HB2 PRO 8 HB2 PRO 8 13.780 -1.105 9.648
53 HB3 PRO 8 HB3 PRO 8 15.422 -0.963 10.288
54 HG2 PRO 8 HG2 PRO 8 13.442 1.192 9.660
55 HG3 PRO 8 HG3 PRO 8 14.511 1.030 11.065
56 HD2 PRO 8 HD2 PRO 8 15.078 2.667 8.985
57 HD3 PRO 8 HD3 PRO 8 16.340 1.847 9.927
58 HA PRO 9 HA PRO 9 12.845 -1.930 5.089
59 HB2 PRO 9 HB2 PRO 9 11.716 -4.245 5.949
60 HB3 PRO 9 HB3 PRO 9 13.332 -4.171 5.236
61 HG2 PRO 9 HG2 PRO 9 12.538 -4.288 8.120
62 HG3 PRO 9 HG3 PRO 9 13.836 -5.157 7.281
63 HD2 PRO 9 HD2 PRO 9 14.294 -2.952 8.784
64 HD3 PRO 9 HD3 PRO 9 15.263 -3.348 7.350
65 H ILE 10 H ILE 10 11.652 0.004 5.881
66 HA ILE 10 HA ILE 10 9.260 -0.654 7.448
67 HB ILE 10 HB ILE 10 10.281 2.068 6.630
68 HG12 ILE 10 HG12 ILE 10 11.847 0.999 8.159
69 HG13 ILE 10 HG13 ILE 10 10.975 2.278 8.997
70 HG21 ILE 10 HG21 ILE 10 8.667 2.352 8.842
71 HG22 ILE 10 HG22 ILE 10 8.211 2.697 7.175
72 HG23 ILE 10 HG23 ILE 10 7.832 1.129 7.886
73 HD11 ILE 10 HD11 ILE 10 10.752 -0.679 9.309
74 HD12 ILE 10 HD12 ILE 10 10.967 0.570 10.537
75 HD13 ILE 10 HD13 ILE 10 9.402 0.367 9.750
76 H CYS 11 H CYS 11 7.617 -1.329 6.233
77 HA CYS 11 HA CYS 11 7.154 -0.030 3.634
78 HB2 CYS 11 HB2 CYS 11 6.777 -2.790 4.634
79 HB3 CYS 11 HB3 CYS 11 5.513 -2.180 3.570
80 H PHE 12 H PHE 12 5.368 1.145 3.314
81 HA PHE 12 HA PHE 12 3.645 1.722 5.525
82 HB2 PHE 12 HB2 PHE 12 3.982 2.724 2.747
83 HB3 PHE 12 HB3 PHE 12 2.412 2.974 3.503
84 HD1 PHE 12 HD1 PHE 12 5.948 3.175 4.687
85 HD2 PHE 12 HD2 PHE 12 2.177 5.108 4.292
86 HE1 PHE 12 HE1 PHE 12 6.837 5.142 5.867
87 HE2 PHE 12 HE2 PHE 12 3.059 7.079 5.471
88 HZ PHE 12 HZ PHE 12 5.392 7.098 6.260
89 HA PRO 13 HA PRO 13 0.275 -0.995 4.825
90 HB2 PRO 13 HB2 PRO 13 -1.873 0.591 5.318
91 HB3 PRO 13 HB3 PRO 13 -0.789 0.018 6.591
92 HG2 PRO 13 HG2 PRO 13 -0.847 2.670 5.204
93 HG3 PRO 13 HG3 PRO 13 -0.633 2.314 6.928
94 HD2 PRO 13 HD2 PRO 13 1.443 2.905 5.294
95 HD3 PRO 13 HD3 PRO 13 1.599 1.798 6.673
96 H ASP 14 H ASP 14 0.101 2.110 3.156
97 HA ASP 14 HA ASP 14 -1.979 1.647 1.399
98 HB2 ASP 14 HB2 ASP 14 -1.082 3.817 1.386
99 HB3 ASP 14 HB3 ASP 14 0.562 3.233 1.141
Start of MODEL 18
1 H1 GLY 1 H GLY 1 1.340 0.665 0.717
2 HA2 GLY 1 HA2 GLY 1 1.548 0.039 -1.873
3 HA3 GLY 1 HA3 GLY 1 1.080 1.730 -1.977
4 H ARG 2 H ARG 2 2.447 3.140 -0.353
5 HA ARG 2 HA ARG 2 5.024 3.293 -1.324
6 HB2 ARG 2 HB2 ARG 2 3.870 5.114 -0.116
7 HB3 ARG 2 HB3 ARG 2 4.061 4.221 1.387
8 HG2 ARG 2 HG2 ARG 2 6.438 4.451 1.303
9 HG3 ARG 2 HG3 ARG 2 6.361 5.144 -0.318
10 HD2 ARG 2 HD2 ARG 2 5.147 6.383 2.149
11 HD3 ARG 2 HD3 ARG 2 6.706 6.835 1.459
12 HE ARG 2 HE ARG 2 4.962 7.117 -0.610
13 HH11 ARG 2 HH11 ARG 2 5.106 8.351 2.642
14 HH12 ARG 2 HH12 ARG 2 4.284 9.827 2.257
15 HH21 ARG 2 HH21 ARG 2 3.879 9.056 -1.129
16 HH22 ARG 2 HH22 ARG 2 3.586 10.226 0.112
17 H CYS 3 H CYS 3 7.085 2.867 -0.360
18 HA CYS 3 HA CYS 3 7.299 1.130 1.914
19 HB2 CYS 3 HB2 CYS 3 6.640 -0.301 -0.184
20 HB3 CYS 3 HB3 CYS 3 8.331 -0.083 -0.624
21 H THR 4 H THR 4 9.294 1.233 2.811
22 HA THR 4 HA THR 4 11.154 3.129 1.693
23 HB THR 4 HB THR 4 12.378 2.944 3.741
24 HG1 THR 4 HG1 THR 4 12.496 1.043 4.646
25 HG21 THR 4 HG21 THR 4 10.700 3.493 5.375
26 HG22 THR 4 HG22 THR 4 9.457 2.656 4.445
27 HG23 THR 4 HG23 THR 4 10.186 4.133 3.815
28 H GLN 5 H GLN 5 12.678 2.605 0.281
29 HA GLN 5 HA GLN 5 13.384 -0.110 -0.265
30 HB2 GLN 5 HB2 GLN 5 14.996 0.893 -1.871
31 HB3 GLN 5 HB3 GLN 5 13.349 1.473 -2.080
32 HG2 GLN 5 HG2 GLN 5 13.895 3.531 -0.928
33 HG3 GLN 5 HG3 GLN 5 15.531 2.948 -0.624
34 HE21 GLN 5 HE21 GLN 5 17.022 3.602 -1.988
35 HE22 GLN 5 HE22 GLN 5 16.758 4.147 -3.606
36 H ALA 6 H ALA 6 14.888 2.569 1.449
37 HA ALA 6 HA ALA 6 17.252 0.946 2.021
38 HB1 ALA 6 HB1 ALA 6 16.877 3.671 1.575
39 HB2 ALA 6 HB2 ALA 6 17.242 3.532 3.295
40 HB3 ALA 6 HB3 ALA 6 18.359 2.871 2.101
41 H TRP 7 H TRP 7 17.836 0.285 4.059
42 HA TRP 7 HA TRP 7 15.888 -0.441 5.870
43 HB2 TRP 7 HB2 TRP 7 17.800 -0.679 7.515
44 HB3 TRP 7 HB3 TRP 7 18.011 -1.516 5.979
45 HD1 TRP 7 HD1 TRP 7 19.913 -0.620 4.339
46 HE1 TRP 7 HE1 TRP 7 21.942 0.916 4.723
47 HE3 TRP 7 HE3 TRP 7 18.582 1.369 8.856
48 HZ2 TRP 7 HZ2 TRP 7 22.858 2.731 6.682
49 HZ3 TRP 7 HZ3 TRP 7 20.090 2.998 9.918
50 HH2 TRP 7 HH2 TRP 7 22.183 3.663 8.852
51 HA PRO 8 HA PRO 8 16.048 -0.844 8.253
52 HB2 PRO 8 HB2 PRO 8 13.818 -0.558 9.775
53 HB3 PRO 8 HB3 PRO 8 15.438 -0.160 10.360
54 HG2 PRO 8 HG2 PRO 8 13.310 1.656 9.296
55 HG3 PRO 8 HG3 PRO 8 14.373 1.879 10.697
56 HD2 PRO 8 HD2 PRO 8 14.838 3.071 8.310
57 HD3 PRO 8 HD3 PRO 8 16.148 2.569 9.398
58 HA PRO 9 HA PRO 9 12.991 -2.413 5.510
59 HB2 PRO 9 HB2 PRO 9 12.018 -4.557 6.861
60 HB3 PRO 9 HB3 PRO 9 13.633 -4.526 6.142
61 HG2 PRO 9 HG2 PRO 9 12.816 -4.066 8.985
62 HG3 PRO 9 HG3 PRO 9 14.182 -5.003 8.351
63 HD2 PRO 9 HD2 PRO 9 14.466 -2.496 9.333
64 HD3 PRO 9 HD3 PRO 9 15.477 -3.126 8.016
65 H ILE 10 H ILE 10 11.591 -0.530 5.724
66 HA ILE 10 HA ILE 10 9.179 -1.086 7.325
67 HB ILE 10 HB ILE 10 10.176 1.620 6.430
68 HG12 ILE 10 HG12 ILE 10 10.229 0.330 9.167
69 HG13 ILE 10 HG13 ILE 10 11.631 0.642 8.149
70 HG21 ILE 10 HG21 ILE 10 7.765 1.537 6.617
71 HG22 ILE 10 HG22 ILE 10 7.888 0.821 8.223
72 HG23 ILE 10 HG23 ILE 10 8.436 2.475 7.951
73 HD11 ILE 10 HD11 ILE 10 11.463 2.305 9.886
74 HD12 ILE 10 HD12 ILE 10 11.184 3.049 8.312
75 HD13 ILE 10 HD13 ILE 10 9.823 2.708 9.380
76 H CYS 11 H CYS 11 7.165 -0.774 6.383
77 HA CYS 11 HA CYS 11 7.014 0.046 3.596
78 HB2 CYS 11 HB2 CYS 11 7.398 -2.563 3.946
79 HB3 CYS 11 HB3 CYS 11 5.662 -2.532 4.239
80 H PHE 12 H PHE 12 5.146 1.062 3.135
81 HA PHE 12 HA PHE 12 3.295 1.544 5.284
82 HB2 PHE 12 HB2 PHE 12 3.714 2.623 2.537
83 HB3 PHE 12 HB3 PHE 12 2.126 2.826 3.269
84 HD1 PHE 12 HD1 PHE 12 1.786 4.853 4.265
85 HD2 PHE 12 HD2 PHE 12 5.685 3.150 4.359
86 HE1 PHE 12 HE1 PHE 12 2.608 6.812 5.506
87 HE2 PHE 12 HE2 PHE 12 6.514 5.106 5.600
88 HZ PHE 12 HZ PHE 12 4.974 6.940 6.176
89 HA PRO 13 HA PRO 13 0.100 -1.295 4.301
90 HB2 PRO 13 HB2 PRO 13 -2.143 0.179 4.707
91 HB3 PRO 13 HB3 PRO 13 -1.112 -0.385 6.028
92 HG2 PRO 13 HG2 PRO 13 -1.207 2.304 4.717
93 HG3 PRO 13 HG3 PRO 13 -1.081 1.903 6.439
94 HD2 PRO 13 HD2 PRO 13 1.061 2.635 4.953
95 HD3 PRO 13 HD3 PRO 13 1.183 1.493 6.306
96 H ASP 14 H ASP 14 -0.535 1.912 2.878
97 HA ASP 14 HA ASP 14 -2.301 1.175 0.889
98 HB2 ASP 14 HB2 ASP 14 -1.203 3.150 -0.399
99 HB3 ASP 14 HB3 ASP 14 -2.017 3.475 1.129
Start of MODEL 19
1 H1 GLY 1 H GLY 1 1.258 0.990 0.908
2 HA2 GLY 1 HA2 GLY 1 1.525 0.219 -1.665
3 HA3 GLY 1 HA3 GLY 1 0.942 1.869 -1.830
4 H ARG 2 H ARG 2 2.202 3.364 -0.118
5 HA ARG 2 HA ARG 2 4.777 3.673 -1.123
6 HB2 ARG 2 HB2 ARG 2 3.615 5.516 -0.078
7 HB3 ARG 2 HB3 ARG 2 3.577 4.670 1.463
8 HG2 ARG 2 HG2 ARG 2 5.270 6.355 1.549
9 HG3 ARG 2 HG3 ARG 2 6.052 4.773 1.526
10 HD2 ARG 2 HD2 ARG 2 7.317 5.915 -0.016
11 HD3 ARG 2 HD3 ARG 2 6.106 5.166 -1.057
12 HE ARG 2 HE ARG 2 5.148 7.671 -0.296
13 HH11 ARG 2 HH11 ARG 2 7.749 6.311 -2.168
14 HH12 ARG 2 HH12 ARG 2 7.865 7.669 -3.237
15 HH21 ARG 2 HH21 ARG 2 5.291 9.466 -1.697
16 HH22 ARG 2 HH22 ARG 2 6.466 9.464 -2.967
17 H CYS 3 H CYS 3 6.835 3.278 -0.268
18 HA CYS 3 HA CYS 3 7.087 1.626 2.107
19 HB2 CYS 3 HB2 CYS 3 7.606 0.635 -0.671
20 HB3 CYS 3 HB3 CYS 3 8.608 0.052 0.654
21 H THR 4 H THR 4 9.254 1.466 2.882
22 HA THR 4 HA THR 4 10.864 3.764 2.125
23 HB THR 4 HB THR 4 12.184 3.295 4.113
24 HG1 THR 4 HG1 THR 4 12.237 1.101 4.271
25 HG21 THR 4 HG21 THR 4 10.391 3.455 5.833
26 HG22 THR 4 HG22 THR 4 9.208 3.087 4.577
27 HG23 THR 4 HG23 THR 4 10.168 4.563 4.480
28 H GLN 5 H GLN 5 12.760 3.697 1.066
29 HA GLN 5 HA GLN 5 13.605 1.146 -0.038
30 HB2 GLN 5 HB2 GLN 5 13.389 3.436 -1.281
31 HB3 GLN 5 HB3 GLN 5 14.979 3.750 -0.597
32 HG2 GLN 5 HG2 GLN 5 15.378 2.895 -2.738
33 HG3 GLN 5 HG3 GLN 5 15.705 1.560 -1.635
34 HE21 GLN 5 HE21 GLN 5 12.847 2.935 -3.237
35 HE22 GLN 5 HE22 GLN 5 12.250 1.429 -3.837
36 H ALA 6 H ALA 6 14.816 3.656 2.113
37 HA ALA 6 HA ALA 6 17.347 2.264 2.470
38 HB1 ALA 6 HB1 ALA 6 17.971 4.156 3.870
39 HB2 ALA 6 HB2 ALA 6 17.346 4.706 2.315
40 HB3 ALA 6 HB3 ALA 6 16.332 4.797 3.755
41 H TRP 7 H TRP 7 17.891 1.051 4.196
42 HA TRP 7 HA TRP 7 16.000 -0.178 5.783
43 HB2 TRP 7 HB2 TRP 7 17.950 -0.777 7.283
44 HB3 TRP 7 HB3 TRP 7 18.153 -1.178 5.580
45 HD1 TRP 7 HD1 TRP 7 19.996 0.176 4.206
46 HE1 TRP 7 HE1 TRP 7 21.991 1.620 4.953
47 HE3 TRP 7 HE3 TRP 7 18.706 0.869 9.104
48 HZ2 TRP 7 HZ2 TRP 7 22.899 2.884 7.308
49 HZ3 TRP 7 HZ3 TRP 7 20.193 2.208 10.537
50 HH2 TRP 7 HH2 TRP 7 22.245 3.194 9.655
51 HA PRO 8 HA PRO 8 16.215 -1.178 7.977
52 HB2 PRO 8 HB2 PRO 8 14.009 -1.358 9.548
53 HB3 PRO 8 HB3 PRO 8 15.629 -1.080 10.196
54 HG2 PRO 8 HG2 PRO 8 13.437 0.888 9.666
55 HG3 PRO 8 HG3 PRO 8 14.521 0.772 11.064
56 HD2 PRO 8 HD2 PRO 8 14.911 2.553 9.062
57 HD3 PRO 8 HD3 PRO 8 16.254 1.824 9.966
58 HA PRO 9 HA PRO 9 13.144 -2.071 4.960
59 HB2 PRO 9 HB2 PRO 9 12.246 -4.517 5.724
60 HB3 PRO 9 HB3 PRO 9 13.846 -4.258 5.018
61 HG2 PRO 9 HG2 PRO 9 13.072 -4.567 7.893
62 HG3 PRO 9 HG3 PRO 9 14.447 -5.272 7.022
63 HD2 PRO 9 HD2 PRO 9 14.691 -3.095 8.614
64 HD3 PRO 9 HD3 PRO 9 15.692 -3.337 7.168
65 H ILE 10 H ILE 10 11.575 -0.485 5.382
66 HA ILE 10 HA ILE 10 9.315 -1.380 7.050
67 HB ILE 10 HB ILE 10 10.011 1.478 6.371
68 HG12 ILE 10 HG12 ILE 10 10.418 0.018 8.989
69 HG13 ILE 10 HG13 ILE 10 11.703 0.379 7.842
70 HG21 ILE 10 HG21 ILE 10 7.764 0.156 7.717
71 HG22 ILE 10 HG22 ILE 10 8.431 1.544 8.575
72 HG23 ILE 10 HG23 ILE 10 7.847 1.727 6.922
73 HD11 ILE 10 HD11 ILE 10 10.058 2.327 9.429
74 HD12 ILE 10 HD12 ILE 10 11.790 2.013 9.551
75 HD13 ILE 10 HD13 ILE 10 11.135 2.800 8.115
76 H CYS 11 H CYS 11 7.209 -1.033 6.280
77 HA CYS 11 HA CYS 11 6.851 -0.013 3.583
78 HB2 CYS 11 HB2 CYS 11 6.885 -2.858 4.226
79 HB3 CYS 11 HB3 CYS 11 5.374 -2.358 3.474
80 H PHE 12 H PHE 12 4.974 1.042 3.394
81 HA PHE 12 HA PHE 12 3.174 1.080 5.661
82 HB2 PHE 12 HB2 PHE 12 3.614 2.760 3.247
83 HB3 PHE 12 HB3 PHE 12 1.997 2.765 3.943
84 HD1 PHE 12 HD1 PHE 12 1.523 4.320 5.560
85 HD2 PHE 12 HD2 PHE 12 5.555 3.069 5.020
86 HE1 PHE 12 HE1 PHE 12 2.253 5.955 7.248
87 HE2 PHE 12 HE2 PHE 12 6.292 4.701 6.707
88 HZ PHE 12 HZ PHE 12 4.640 6.146 7.824
89 HA PRO 13 HA PRO 13 -0.031 -1.470 4.091
90 HB2 PRO 13 HB2 PRO 13 -2.270 -0.121 4.825
91 HB3 PRO 13 HB3 PRO 13 -1.233 -0.964 5.982
92 HG2 PRO 13 HG2 PRO 13 -1.333 1.949 5.298
93 HG3 PRO 13 HG3 PRO 13 -1.197 1.177 6.889
94 HD2 PRO 13 HD2 PRO 13 0.937 2.220 5.590
95 HD3 PRO 13 HD3 PRO 13 1.066 0.807 6.657
96 H ASP 14 H ASP 14 -0.241 1.948 3.236
97 HA ASP 14 HA ASP 14 -2.203 1.889 1.295
98 HB2 ASP 14 HB2 ASP 14 -1.389 4.014 1.864
99 HB3 ASP 14 HB3 ASP 14 0.288 3.545 1.597
Start of MODEL 20
1 H1 GLY 1 H GLY 1 1.559 1.610 1.445
2 HA2 GLY 1 HA2 GLY 1 1.833 -0.943 0.866
3 HA3 GLY 1 HA3 GLY 1 1.383 -0.346 -0.724
4 H ARG 2 H ARG 2 2.787 2.196 -0.369
5 HA ARG 2 HA ARG 2 5.207 1.603 -1.557
6 HB2 ARG 2 HB2 ARG 2 4.045 3.973 -0.224
7 HB3 ARG 2 HB3 ARG 2 5.798 3.961 -0.365
8 HG2 ARG 2 HG2 ARG 2 5.283 4.983 -2.321
9 HG3 ARG 2 HG3 ARG 2 5.226 3.304 -2.863
10 HD2 ARG 2 HD2 ARG 2 2.801 3.282 -2.519
11 HD3 ARG 2 HD3 ARG 2 2.864 4.962 -1.987
12 HE ARG 2 HE ARG 2 4.008 4.677 -4.565
13 HH11 ARG 2 HH11 ARG 2 0.952 4.756 -2.899
14 HH12 ARG 2 HH12 ARG 2 0.070 5.338 -4.272
15 HH21 ARG 2 HH21 ARG 2 2.858 5.445 -6.380
16 HH22 ARG 2 HH22 ARG 2 1.156 5.729 -6.252
17 H CYS 3 H CYS 3 7.392 1.743 -0.791
18 HA CYS 3 HA CYS 3 7.696 1.111 2.070
19 HB2 CYS 3 HB2 CYS 3 8.122 -0.656 -0.035
20 HB3 CYS 3 HB3 CYS 3 9.738 -0.093 0.381
21 H THR 4 H THR 4 10.069 1.316 2.748
22 HA THR 4 HA THR 4 10.971 3.949 1.915
23 HB THR 4 HB THR 4 12.760 3.381 3.772
24 HG1 THR 4 HG1 THR 4 12.078 1.184 3.985
25 HG21 THR 4 HG21 THR 4 9.869 3.889 4.482
26 HG22 THR 4 HG22 THR 4 10.995 5.114 3.898
27 HG23 THR 4 HG23 THR 4 11.281 4.318 5.446
28 H GLN 5 H GLN 5 13.415 4.263 1.772
29 HA GLN 5 HA GLN 5 14.477 2.224 -0.053
30 HB2 GLN 5 HB2 GLN 5 15.914 3.973 -0.942
31 HB3 GLN 5 HB3 GLN 5 14.236 4.499 -0.966
32 HG2 GLN 5 HG2 GLN 5 14.724 5.676 1.223
33 HG3 GLN 5 HG3 GLN 5 16.426 5.362 0.893
34 HE21 GLN 5 HE21 GLN 5 14.215 7.679 0.752
35 HE22 GLN 5 HE22 GLN 5 14.775 8.584 -0.609
36 H ALA 6 H ALA 6 15.219 4.081 2.834
37 HA ALA 6 HA ALA 6 17.800 2.725 3.100
38 HB1 ALA 6 HB1 ALA 6 17.178 5.300 3.549
39 HB2 ALA 6 HB2 ALA 6 16.943 4.644 5.170
40 HB3 ALA 6 HB3 ALA 6 18.500 4.461 4.362
41 H TRP 7 H TRP 7 18.230 2.439 5.683
42 HA TRP 7 HA TRP 7 16.152 0.543 6.533
43 HB2 TRP 7 HB2 TRP 7 19.119 0.668 6.949
44 HB3 TRP 7 HB3 TRP 7 18.113 -0.222 8.088
45 HD1 TRP 7 HD1 TRP 7 16.112 -1.185 5.560
46 HE1 TRP 7 HE1 TRP 7 16.929 -3.200 4.182
47 HE3 TRP 7 HE3 TRP 7 21.069 -1.063 6.806
48 HZ2 TRP 7 HZ2 TRP 7 19.354 -4.558 3.689
49 HZ3 TRP 7 HZ3 TRP 7 22.570 -2.756 5.838
50 HH2 TRP 7 HH2 TRP 7 21.728 -4.466 4.313
51 HA PRO 8 HA PRO 8 16.334 -0.775 8.608
52 HB2 PRO 8 HB2 PRO 8 14.108 -1.096 10.128
53 HB3 PRO 8 HB3 PRO 8 15.728 -0.947 10.818
54 HG2 PRO 8 HG2 PRO 8 13.594 1.132 10.531
55 HG3 PRO 8 HG3 PRO 8 14.661 0.807 11.909
56 HD2 PRO 8 HD2 PRO 8 15.118 2.820 10.157
57 HD3 PRO 8 HD3 PRO 8 16.432 1.943 10.969
58 HA PRO 9 HA PRO 9 13.295 -1.144 5.452
59 HB2 PRO 9 HB2 PRO 9 12.412 -3.688 5.802
60 HB3 PRO 9 HB3 PRO 9 14.012 -3.307 5.153
61 HG2 PRO 9 HG2 PRO 9 13.235 -4.088 7.936
62 HG3 PRO 9 HG3 PRO 9 14.616 -4.632 6.966
63 HD2 PRO 9 HD2 PRO 9 14.843 -2.743 8.893
64 HD3 PRO 9 HD3 PRO 9 15.848 -2.739 7.429
65 H ILE 10 H ILE 10 11.660 0.285 6.000
66 HA ILE 10 HA ILE 10 9.448 -0.837 7.593
67 HB ILE 10 HB ILE 10 10.394 1.088 8.718
68 HG12 ILE 10 HG12 ILE 10 7.887 2.146 7.452
69 HG13 ILE 10 HG13 ILE 10 7.827 0.694 8.444
70 HG21 ILE 10 HG21 ILE 10 11.393 2.114 6.689
71 HG22 ILE 10 HG22 ILE 10 9.787 2.679 6.232
72 HG23 ILE 10 HG23 ILE 10 10.539 3.266 7.715
73 HD11 ILE 10 HD11 ILE 10 8.133 3.494 9.219
74 HD12 ILE 10 HD12 ILE 10 7.479 2.126 10.119
75 HD13 ILE 10 HD13 ILE 10 9.222 2.382 10.047
76 H CYS 11 H CYS 11 7.584 -1.153 6.571
77 HA CYS 11 HA CYS 11 7.195 0.141 3.954
78 HB2 CYS 11 HB2 CYS 11 7.077 -2.592 4.713
79 HB3 CYS 11 HB3 CYS 11 5.436 -2.089 4.321
80 H PHE 12 H PHE 12 5.401 1.320 3.591
81 HA PHE 12 HA PHE 12 3.784 2.074 5.826
82 HB2 PHE 12 HB2 PHE 12 3.979 2.877 2.960
83 HB3 PHE 12 HB3 PHE 12 2.506 3.278 3.835
84 HD1 PHE 12 HD1 PHE 12 5.361 4.686 2.759
85 HD2 PHE 12 HD2 PHE 12 3.258 4.100 6.412
86 HE1 PHE 12 HE1 PHE 12 6.473 6.664 3.712
87 HE2 PHE 12 HE2 PHE 12 4.365 6.077 7.371
88 HZ PHE 12 HZ PHE 12 5.974 7.362 6.021
89 HA PRO 13 HA PRO 13 0.310 -0.574 5.422
90 HB2 PRO 13 HB2 PRO 13 -1.769 1.104 5.903
91 HB3 PRO 13 HB3 PRO 13 -0.650 0.574 7.165
92 HG2 PRO 13 HG2 PRO 13 -0.689 3.141 5.625
93 HG3 PRO 13 HG3 PRO 13 -0.415 2.880 7.357
94 HD2 PRO 13 HD2 PRO 13 1.609 3.309 5.610
95 HD3 PRO 13 HD3 PRO 13 1.789 2.281 7.046
96 H ASP 14 H ASP 14 0.172 2.426 3.571
97 HA ASP 14 HA ASP 14 -1.966 1.662 1.873
98 HB2 ASP 14 HB2 ASP 14 -1.221 3.535 0.447
99 HB3 ASP 14 HB3 ASP 14 -1.340 4.002 2.141