Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
633924 | 6bvu RC | 30380 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 H CYS 1 -1.076 -1.626 3.915
2 HA CYS 1 HA CYS 1 -0.011 -0.046 1.667
3 HB3 CYS 1 2HB CYS 1 0.059 1.069 4.427
4 H THR 2 H THR 2 2.102 -0.224 1.332
5 HA THR 2 HA THR 2 3.795 -1.197 3.542
6 HB THR 2 HB THR 2 5.251 -2.040 1.506
7 HG1 THR 2 1HG THR 2 3.885 -2.752 -0.198
8 HG21 THR 2 1HG2 THR 2 2.778 -3.570 2.310
9 HG22 THR 2 2HG2 THR 2 4.199 -3.396 3.341
10 HG23 THR 2 3HG2 THR 2 4.329 -4.227 1.790
11 H ALA 3 H ALA 3 5.958 -0.436 3.606
12 HA ALA 3 HA ALA 3 6.235 2.259 2.546
13 HB1 ALA 3 1HB ALA 3 6.734 1.866 4.901
14 HB2 ALA 3 2HB ALA 3 7.999 0.722 4.450
15 HB3 ALA 3 3HB ALA 3 8.164 2.428 4.035
16 H SER 4 H SER 4 6.314 0.719 0.414
17 HA SER 4 HA SER 4 8.942 -0.256 -0.207
18 HB3 SER 4 2HB SER 4 7.999 -0.555 -2.504
19 HG SER 4 HG SER 4 7.538 -1.968 -0.512
20 H ILE 5 H ILE 5 9.565 0.558 -2.672
21 HA ILE 5 HA ILE 5 9.606 3.482 -2.691
22 HB ILE 5 HB ILE 5 12.121 1.824 -2.903
23 HG13 ILE 5 2HG1 ILE 5 11.189 2.002 -0.590
24 HG21 ILE 5 1HG2 ILE 5 12.554 4.622 -2.499
25 HG22 ILE 5 2HG2 ILE 5 13.082 3.594 -3.831
26 HG23 ILE 5 3HG2 ILE 5 11.506 4.383 -3.899
27 HD11 ILE 5 1HD1 ILE 5 13.183 2.311 0.416
28 HD12 ILE 5 2HD1 ILE 5 13.758 2.220 -1.248
29 HD13 ILE 5 3HD1 ILE 5 13.533 3.790 -0.477
30 HA PRO 6 HA PRO 6 8.420 4.527 -3.727
31 HB3 PRO 6 2HB PRO 6 7.509 5.417 -5.640
32 HG3 PRO 6 2HG PRO 6 7.207 4.114 -7.543
33 HD3 PRO 6 2HD PRO 6 9.409 3.621 -7.070
34 HA PRO 7 HA PRO 7 5.984 1.948 -1.128
35 HB3 PRO 7 2HB PRO 7 5.667 3.778 0.226
36 HG3 PRO 7 2HG PRO 7 5.355 5.897 -0.676
37 HD3 PRO 7 2HD PRO 7 7.240 5.249 -1.831
38 H ILE 8 H ILE 8 3.858 0.963 -0.816
39 HA ILE 8 HA ILE 8 2.148 1.119 -3.208
40 HB ILE 8 HB ILE 8 2.730 -1.430 -1.704
41 HG13 ILE 8 2HG1 ILE 8 4.105 -2.065 -3.664
42 HG21 ILE 8 1HG2 ILE 8 1.839 -1.783 -4.392
43 HG22 ILE 8 2HG2 ILE 8 1.072 -2.301 -2.891
44 HG23 ILE 8 3HG2 ILE 8 0.727 -0.702 -3.550
45 HD11 ILE 8 1HD1 ILE 8 4.801 0.484 -4.658
46 HD12 ILE 8 2HD1 ILE 8 4.123 -0.892 -5.531
47 HD13 ILE 8 3HD1 ILE 8 3.053 0.308 -4.807
48 H CYS 9 H CYS 9 -0.008 1.185 -2.868
49 HA CYS 9 HA CYS 9 -1.095 0.480 -0.259
50 HB3 CYS 9 2HB CYS 9 -2.349 2.686 -0.196
51 H HIS 10 H HIS 10 -2.912 -0.626 -0.533
52 HA HIS 10 HA HIS 10 -4.340 -0.364 -3.090
53 HB3 HIS 10 2HB HIS 10 -5.371 -2.605 -2.294
54 HD1 HIS 10 1HD HIS 10 -3.595 -1.384 -4.651
55 HD2 HIS 10 2HD HIS 10 -2.704 -4.727 -2.350
56 HE1 HIS 10 1HE HIS 10 -2.021 -2.762 -6.047
57 H DPN 11 H DPN 11 -5.065 1.677 -1.727
58 HA DPN 11 HA DPN 11 -7.793 1.155 -0.987
59 HB2 DPN 11 2HB DPN 11 -6.117 3.581 -1.421
60 HB3 DPN 11 3HB DPN 11 -7.571 3.751 -0.442
61 HD1 DPN 11 1HD DPN 11 -9.619 2.297 -1.617
62 HD2 DPN 11 2HD DPN 11 -6.396 4.266 -3.580
63 HE1 DPN 11 1HE DPN 11 -10.974 2.470 -3.663
64 HE2 DPN 11 2HE DPN 11 -7.746 4.441 -5.629
65 HZ DPN 11 HZ DPN 11 -10.038 3.542 -5.673
66 H ARG 12 H ARG 12 -8.342 0.472 0.968
67 HA ARG 12 HA ARG 12 -6.842 1.497 3.289
68 HB3 ARG 12 2HB ARG 12 -9.105 0.956 4.489
69 HG3 ARG 12 2HG ARG 12 -8.733 3.343 2.698
70 HD3 ARG 12 2HD ARG 12 -11.148 2.788 3.399
71 HE ARG 12 HE ARG 12 -9.997 3.012 5.997
72 HH11 ARG 12 1HH2 ARG 12 -11.385 2.962 7.806
73 HH12 ARG 12 2HH2 ARG 12 -13.078 3.248 7.589
74 HH21 ARG 12 1HH1 ARG 12 -12.851 3.706 4.130
75 HH22 ARG 12 2HH1 ARG 12 -13.914 3.670 5.498
76 H TRP 13 H TRP 13 -6.444 -0.962 1.666
77 HA TRP 13 HA TRP 13 -7.062 -3.023 3.666
78 HB3 TRP 13 2HB TRP 13 -6.140 -4.499 1.663
79 HD1 TRP 13 HD TRP 13 -9.204 -2.405 0.659
80 HE1 TRP 13 1HE TRP 13 -11.311 -3.849 0.973
81 HE3 TRP 13 3HE TRP 13 -7.072 -6.474 2.905
82 HZ2 TRP 13 2HZ TRP 13 -11.983 -6.378 2.033
83 HZ3 TRP 13 3HZ TRP 13 -8.517 -8.362 3.538
84 HH2 TRP 13 HH TRP 13 -10.920 -8.313 3.111
85 H ARG 14 H ARG 14 -4.412 -2.691 1.314
86 HA ARG 14 HA ARG 14 -2.526 -3.217 3.517
87 HB3 ARG 14 2HB ARG 14 -2.337 -3.952 0.593
88 HG3 ARG 14 2HG ARG 14 -0.123 -3.339 1.553
89 HD3 ARG 14 2HD ARG 14 -0.870 -4.327 3.861
90 HE ARG 14 HE ARG 14 -1.001 -6.608 3.739
91 HH11 ARG 14 1HH2 ARG 14 -0.211 -8.721 3.399
92 HH12 ARG 14 2HH2 ARG 14 1.269 -8.947 2.531
93 HH21 ARG 14 1HH1 ARG 14 1.814 -5.535 1.992
94 HH22 ARG 14 2HH1 ARG 14 2.422 -7.137 1.730
Start of MODEL 2
1 H1 CYS 1 H CYS 1 -1.047 -1.373 3.946
2 HA CYS 1 HA CYS 1 0.078 0.025 1.611
3 HB3 CYS 1 2HB CYS 1 0.427 1.987 3.179
4 H THR 2 H THR 2 2.174 -0.330 1.363
5 HA THR 2 HA THR 2 3.746 -1.179 3.705
6 HB THR 2 HB THR 2 5.349 -2.054 1.863
7 HG1 THR 2 1HG THR 2 2.926 -2.128 0.377
8 HG21 THR 2 1HG2 THR 2 3.975 -4.162 1.655
9 HG22 THR 2 2HG2 THR 2 2.690 -3.315 2.517
10 HG23 THR 2 3HG2 THR 2 4.245 -3.592 3.301
11 H ALA 3 H ALA 3 6.191 -0.725 3.320
12 HA ALA 3 HA ALA 3 6.419 2.123 2.638
13 HB1 ALA 3 1HB ALA 3 6.992 1.406 4.952
14 HB2 ALA 3 2HB ALA 3 8.324 0.465 4.280
15 HB3 ALA 3 3HB ALA 3 8.307 2.220 4.106
16 H SER 4 H SER 4 6.374 0.573 0.435
17 HA SER 4 HA SER 4 8.976 -0.315 -0.363
18 HB3 SER 4 2HB SER 4 7.927 -0.522 -2.623
19 HG SER 4 HG SER 4 7.586 -2.314 -1.468
20 H ILE 5 H ILE 5 9.478 0.609 -2.816
21 HA ILE 5 HA ILE 5 9.500 3.532 -2.709
22 HB ILE 5 HB ILE 5 12.011 1.900 -3.102
23 HG13 ILE 5 2HG1 ILE 5 11.177 1.998 -0.744
24 HG21 ILE 5 1HG2 ILE 5 12.611 4.596 -2.641
25 HG22 ILE 5 2HG2 ILE 5 12.796 3.695 -4.145
26 HG23 ILE 5 3HG2 ILE 5 11.308 4.586 -3.828
27 HD11 ILE 5 1HD1 ILE 5 13.746 2.400 -1.591
28 HD12 ILE 5 2HD1 ILE 5 13.482 3.751 -0.489
29 HD13 ILE 5 3HD1 ILE 5 13.243 2.096 0.071
30 HA PRO 6 HA PRO 6 8.261 4.612 -3.641
31 HB3 PRO 6 2HB PRO 6 7.256 5.577 -5.469
32 HG3 PRO 6 2HG PRO 6 6.872 4.356 -7.410
33 HD3 PRO 6 2HD PRO 6 9.096 3.859 -7.063
34 HA PRO 7 HA PRO 7 5.966 1.904 -1.045
35 HB3 PRO 7 2HB PRO 7 5.702 3.670 0.400
36 HG3 PRO 7 2HG PRO 7 5.336 5.825 -0.392
37 HD3 PRO 7 2HD PRO 7 7.170 5.242 -1.662
38 H ILE 8 H ILE 8 4.204 0.544 -1.012
39 HA ILE 8 HA ILE 8 2.359 0.808 -3.278
40 HB ILE 8 HB ILE 8 2.814 -1.641 -1.577
41 HG13 ILE 8 2HG1 ILE 8 4.232 -2.453 -3.438
42 HG21 ILE 8 1HG2 ILE 8 0.910 -2.189 -2.649
43 HG22 ILE 8 2HG2 ILE 8 1.150 -0.985 -3.915
44 HG23 ILE 8 3HG2 ILE 8 2.003 -2.526 -3.991
45 HD11 ILE 8 1HD1 ILE 8 4.977 -1.149 -5.195
46 HD12 ILE 8 2HD1 ILE 8 3.258 -0.763 -5.115
47 HD13 ILE 8 3HD1 ILE 8 4.444 0.353 -4.439
48 H CYS 9 H CYS 9 0.172 0.846 -3.024
49 HA CYS 9 HA CYS 9 -1.007 0.400 -0.407
50 HB3 CYS 9 2HB CYS 9 -1.732 2.986 -1.715
51 H HIS 10 H HIS 10 -2.978 -0.482 -0.571
52 HA HIS 10 HA HIS 10 -4.279 -0.430 -3.214
53 HB3 HIS 10 2HB HIS 10 -5.369 -2.599 -2.377
54 HD1 HIS 10 1HD HIS 10 -4.315 -2.552 -4.908
55 HD2 HIS 10 2HD HIS 10 -1.817 -3.777 -1.821
56 HE1 HIS 10 1HE HIS 10 -2.429 -3.789 -6.020
57 H DPN 11 H DPN 11 -4.648 1.572 -1.187
58 HA DPN 11 HA DPN 11 -7.535 1.370 -0.922
59 HB2 DPN 11 2HB DPN 11 -5.538 3.574 -0.840
60 HB3 DPN 11 3HB DPN 11 -7.027 3.800 0.070
61 HD1 DPN 11 1HD DPN 11 -9.233 3.390 -1.215
62 HD2 DPN 11 2HD DPN 11 -5.475 4.070 -3.094
63 HE1 DPN 11 1HE DPN 11 -10.391 4.064 -3.277
64 HE2 DPN 11 2HE DPN 11 -6.628 4.746 -5.160
65 HZ DPN 11 HZ DPN 11 -9.088 4.744 -5.254
66 H ARG 12 H ARG 12 -8.573 0.930 0.914
67 HA ARG 12 HA ARG 12 -7.238 1.362 3.477
68 HB3 ARG 12 2HB ARG 12 -10.030 0.349 3.335
69 HG3 ARG 12 2HG ARG 12 -9.034 2.721 4.862
70 HD3 ARG 12 2HD ARG 12 -11.181 0.669 5.388
71 HE ARG 12 HE ARG 12 -10.030 2.180 7.292
72 HH11 ARG 12 1HH2 ARG 12 -11.075 3.059 9.119
73 HH12 ARG 12 2HH2 ARG 12 -12.769 3.407 9.046
74 HH21 ARG 12 1HH1 ARG 12 -13.147 2.318 5.744
75 HH22 ARG 12 2HH1 ARG 12 -13.948 2.985 7.129
76 H TRP 13 H TRP 13 -6.348 -0.789 1.805
77 HA TRP 13 HA TRP 13 -7.187 -3.112 3.414
78 HB3 TRP 13 2HB TRP 13 -5.877 -3.345 0.718
79 HD1 TRP 13 HD TRP 13 -4.942 -5.736 1.406
80 HE1 TRP 13 1HE TRP 13 -6.095 -8.003 1.801
81 HE3 TRP 13 3HE TRP 13 -9.782 -4.132 1.777
82 HZ2 TRP 13 2HZ TRP 13 -8.711 -8.982 2.213
83 HZ3 TRP 13 3HZ TRP 13 -11.549 -5.796 2.170
84 HH2 TRP 13 HH TRP 13 -11.023 -8.172 2.384
85 H ARG 14 H ARG 14 -4.386 -2.262 1.373
86 HA ARG 14 HA ARG 14 -2.636 -2.878 3.655
87 HB3 ARG 14 2HB ARG 14 -2.378 -3.879 0.821
88 HG3 ARG 14 2HG ARG 14 -0.173 -3.105 1.586
89 HD3 ARG 14 2HD ARG 14 -0.642 -3.454 4.027
90 HE ARG 14 HE ARG 14 -0.923 -6.155 3.315
91 HH11 ARG 14 1HH2 ARG 14 -1.017 -7.767 4.925
92 HH12 ARG 14 2HH2 ARG 14 -0.390 -7.433 6.504
93 HH21 ARG 14 1HH1 ARG 14 0.593 -4.164 5.737
94 HH22 ARG 14 2HH1 ARG 14 0.526 -5.383 6.967
Start of MODEL 3
1 H1 CYS 1 H CYS 1 -1.134 -0.991 3.948
2 HA CYS 1 HA CYS 1 0.002 -0.533 1.267
3 HB3 CYS 1 2HB CYS 1 0.509 1.732 1.874
4 H THR 2 H THR 2 2.246 -0.377 1.088
5 HA THR 2 HA THR 2 3.734 -1.405 3.417
6 HB THR 2 HB THR 2 5.378 -2.292 1.741
7 HG1 THR 2 1HG THR 2 4.335 -2.546 -0.431
8 HG21 THR 2 1HG2 THR 2 4.191 -4.279 1.354
9 HG22 THR 2 2HG2 THR 2 2.648 -3.435 1.224
10 HG23 THR 2 3HG2 THR 2 3.436 -3.597 2.794
11 H ALA 3 H ALA 3 6.232 -0.949 2.990
12 HA ALA 3 HA ALA 3 6.437 1.956 2.571
13 HB1 ALA 3 1HB ALA 3 8.394 0.244 4.082
14 HB2 ALA 3 2HB ALA 3 8.228 2.001 4.113
15 HB3 ALA 3 3HB ALA 3 6.982 0.984 4.839
16 H SER 4 H SER 4 6.454 0.369 0.304
17 HA SER 4 HA SER 4 9.059 -0.388 -0.520
18 HB3 SER 4 2HB SER 4 8.056 -0.421 -2.811
19 HG SER 4 HG SER 4 7.706 -2.111 -1.109
20 H ILE 5 H ILE 5 9.625 0.703 -2.887
21 HA ILE 5 HA ILE 5 9.670 3.611 -2.571
22 HB ILE 5 HB ILE 5 12.164 1.958 -2.983
23 HG13 ILE 5 2HG1 ILE 5 12.872 2.825 -0.823
24 HG21 ILE 5 1HG2 ILE 5 13.050 4.458 -2.545
25 HG22 ILE 5 2HG2 ILE 5 12.767 3.789 -4.151
26 HG23 ILE 5 3HG2 ILE 5 11.544 4.810 -3.393
27 HD11 ILE 5 1HD1 ILE 5 12.017 4.696 -0.011
28 HD12 ILE 5 2HD1 ILE 5 10.678 4.653 -1.159
29 HD13 ILE 5 3HD1 ILE 5 10.554 3.786 0.372
30 HA PRO 6 HA PRO 6 8.460 4.768 -3.450
31 HB3 PRO 6 2HB PRO 6 7.504 5.871 -5.224
32 HG3 PRO 6 2HG PRO 6 7.151 4.796 -7.257
33 HD3 PRO 6 2HD PRO 6 9.362 4.253 -6.898
34 HA PRO 7 HA PRO 7 6.085 1.905 -1.105
35 HB3 PRO 7 2HB PRO 7 5.806 3.565 0.458
36 HG3 PRO 7 2HG PRO 7 5.474 5.776 -0.186
37 HD3 PRO 7 2HD PRO 7 7.330 5.266 -1.454
38 H ILE 8 H ILE 8 4.039 0.808 -0.922
39 HA ILE 8 HA ILE 8 2.306 1.198 -3.274
40 HB ILE 8 HB ILE 8 2.822 -1.406 -1.839
41 HG13 ILE 8 2HG1 ILE 8 4.127 -2.037 -3.827
42 HG21 ILE 8 1HG2 ILE 8 0.736 -1.636 -2.807
43 HG22 ILE 8 2HG2 ILE 8 1.146 -0.606 -4.179
44 HG23 ILE 8 3HG2 ILE 8 1.800 -2.241 -4.077
45 HD11 ILE 8 1HD1 ILE 8 4.817 -0.486 -5.483
46 HD12 ILE 8 2HD1 ILE 8 3.056 -0.438 -5.417
47 HD13 ILE 8 3HD1 ILE 8 4.003 0.845 -4.664
48 H CYS 9 H CYS 9 0.084 0.994 -3.019
49 HA CYS 9 HA CYS 9 -0.972 0.532 -0.338
50 HB3 CYS 9 2HB CYS 9 -1.966 2.937 -1.822
51 H HIS 10 H HIS 10 -2.858 -0.539 -0.359
52 HA HIS 10 HA HIS 10 -4.171 -0.911 -2.967
53 HB3 HIS 10 2HB HIS 10 -4.927 -3.066 -2.179
54 HD1 HIS 10 1HD HIS 10 -2.899 -3.051 -4.081
55 HD2 HIS 10 2HD HIS 10 -1.866 -3.784 -0.124
56 HE1 HIS 10 1HE HIS 10 -0.645 -4.161 -4.169
57 H DPN 11 H DPN 11 -4.763 1.363 -1.450
58 HA DPN 11 HA DPN 11 -7.606 1.000 -1.108
59 HB2 DPN 11 2HB DPN 11 -5.749 3.319 -1.289
60 HB3 DPN 11 3HB DPN 11 -7.280 3.569 -0.458
61 HD1 DPN 11 1HD DPN 11 -9.368 3.529 -1.653
62 HD2 DPN 11 2HD DPN 11 -5.685 2.818 -3.664
63 HE1 DPN 11 1HE DPN 11 -10.493 3.838 -3.818
64 HE2 DPN 11 2HE DPN 11 -6.805 3.125 -5.832
65 HZ DPN 11 HZ DPN 11 -9.212 3.637 -5.911
66 H ARG 12 H ARG 12 -8.686 0.819 0.755
67 HA ARG 12 HA ARG 12 -7.390 1.612 3.256
68 HB3 ARG 12 2HB ARG 12 -9.662 1.283 4.239
69 HG3 ARG 12 2HG ARG 12 -9.735 3.068 1.817
70 HD3 ARG 12 2HD ARG 12 -11.833 2.555 3.278
71 HE ARG 12 HE ARG 12 -10.268 3.511 5.316
72 HH11 ARG 12 1HH2 ARG 12 -11.116 4.421 7.228
73 HH12 ARG 12 2HH2 ARG 12 -12.698 5.122 7.209
74 HH21 ARG 12 1HH1 ARG 12 -13.276 4.439 3.828
75 HH22 ARG 12 2HH1 ARG 12 -13.929 5.131 5.276
76 H TRP 13 H TRP 13 -6.585 -0.789 1.808
77 HA TRP 13 HA TRP 13 -7.459 -2.881 3.686
78 HB3 TRP 13 2HB TRP 13 -6.199 -4.320 1.832
79 HD1 TRP 13 HD TRP 13 -8.018 -6.117 1.966
80 HE1 TRP 13 1HE TRP 13 -10.535 -6.231 1.436
81 HE3 TRP 13 3HE TRP 13 -8.838 -1.195 0.851
82 HZ2 TRP 13 2HZ TRP 13 -12.595 -4.469 0.650
83 HZ3 TRP 13 3HZ TRP 13 -11.110 -0.492 0.219
84 HH2 TRP 13 HH TRP 13 -12.947 -2.097 0.120
85 H ARG 14 H ARG 14 -4.518 -2.288 1.755
86 HA ARG 14 HA ARG 14 -2.905 -2.301 4.177
87 HB3 ARG 14 2HB ARG 14 -1.345 -3.998 3.032
88 HG3 ARG 14 2HG ARG 14 -2.563 -5.952 3.855
89 HD3 ARG 14 2HD ARG 14 -3.014 -3.641 5.729
90 HE ARG 14 HE ARG 14 -3.276 -6.328 6.186
91 HH11 ARG 14 1HH2 ARG 14 -3.044 -7.284 8.243
92 HH12 ARG 14 2HH2 ARG 14 -2.084 -6.493 9.447
93 HH21 ARG 14 1HH1 ARG 14 -1.240 -3.781 7.408
94 HH22 ARG 14 2HH1 ARG 14 -1.059 -4.501 8.973
Start of MODEL 4
1 H1 CYS 1 H CYS 1 -0.994 -1.249 4.063
2 HA CYS 1 HA CYS 1 0.077 0.131 1.690
3 HB3 CYS 1 2HB CYS 1 0.211 1.469 4.348
4 H THR 2 H THR 2 2.093 -0.483 1.320
5 HA THR 2 HA THR 2 3.731 -1.488 3.524
6 HB THR 2 HB THR 2 5.231 -2.365 1.818
7 HG1 THR 2 1HG THR 2 5.207 -1.546 -0.127
8 HG21 THR 2 1HG2 THR 2 3.850 -4.118 1.871
9 HG22 THR 2 2HG2 THR 2 3.056 -3.458 0.441
10 HG23 THR 2 3HG2 THR 2 2.444 -3.071 2.050
11 H ALA 3 H ALA 3 6.248 -1.031 2.810
12 HA ALA 3 HA ALA 3 6.460 1.907 2.674
13 HB1 ALA 3 1HB ALA 3 7.008 1.126 4.892
14 HB2 ALA 3 2HB ALA 3 8.168 -0.029 4.232
15 HB3 ALA 3 3HB ALA 3 8.471 1.702 4.090
16 H SER 4 H SER 4 6.468 0.332 0.358
17 HA SER 4 HA SER 4 9.114 -0.307 -0.478
18 HB3 SER 4 2HB SER 4 8.089 -0.447 -2.755
19 HG SER 4 HG SER 4 7.870 -2.125 -1.015
20 H ILE 5 H ILE 5 9.573 0.780 -2.871
21 HA ILE 5 HA ILE 5 9.428 3.689 -2.601
22 HB ILE 5 HB ILE 5 11.533 3.263 -1.581
23 HG13 ILE 5 2HG1 ILE 5 11.332 5.003 -3.487
24 HG21 ILE 5 1HG2 ILE 5 13.160 2.001 -3.430
25 HG22 ILE 5 2HG2 ILE 5 12.490 1.288 -1.965
26 HG23 ILE 5 3HG2 ILE 5 11.649 1.095 -3.502
27 HD11 ILE 5 1HD1 ILE 5 13.057 5.381 -1.946
28 HD12 ILE 5 2HD1 ILE 5 13.970 3.977 -2.500
29 HD13 ILE 5 3HD1 ILE 5 13.829 5.401 -3.531
30 HA PRO 6 HA PRO 6 8.132 4.746 -3.482
31 HB3 PRO 6 2HB PRO 6 7.082 5.753 -5.260
32 HG3 PRO 6 2HG PRO 6 6.778 4.623 -7.271
33 HD3 PRO 6 2HD PRO 6 9.025 4.235 -6.934
34 HA PRO 7 HA PRO 7 5.984 1.770 -1.061
35 HB3 PRO 7 2HB PRO 7 5.613 3.435 0.479
36 HG3 PRO 7 2HG PRO 7 5.127 5.606 -0.194
37 HD3 PRO 7 2HD PRO 7 6.997 5.201 -1.480
38 H ILE 8 H ILE 8 4.098 0.469 -0.903
39 HA ILE 8 HA ILE 8 2.340 0.675 -3.256
40 HB ILE 8 HB ILE 8 2.871 -1.792 -1.602
41 HG13 ILE 8 2HG1 ILE 8 4.300 -2.522 -3.488
42 HG21 ILE 8 1HG2 ILE 8 2.009 -2.843 -3.794
43 HG22 ILE 8 2HG2 ILE 8 0.844 -2.117 -2.689
44 HG23 ILE 8 3HG2 ILE 8 1.360 -1.237 -4.127
45 HD11 ILE 8 1HD1 ILE 8 4.787 0.158 -4.512
46 HD12 ILE 8 2HD1 ILE 8 4.648 -1.381 -5.365
47 HD13 ILE 8 3HD1 ILE 8 3.196 -0.480 -4.930
48 H CYS 9 H CYS 9 0.234 1.019 -2.972
49 HA CYS 9 HA CYS 9 -1.028 0.307 -0.434
50 HB3 CYS 9 2HB CYS 9 -2.124 2.521 -0.284
51 H HIS 10 H HIS 10 -2.954 -0.609 -0.737
52 HA HIS 10 HA HIS 10 -4.270 -0.232 -3.346
53 HB3 HIS 10 2HB HIS 10 -5.147 -2.499 -3.138
54 HD1 HIS 10 1HD HIS 10 -3.750 -3.080 -5.141
55 HD2 HIS 10 2HD HIS 10 -1.503 -2.780 -1.660
56 HE1 HIS 10 1HE HIS 10 -1.456 -3.908 -5.749
57 H DPN 11 H DPN 11 -4.900 1.644 -1.583
58 HA DPN 11 HA DPN 11 -7.685 1.106 -1.042
59 HB2 DPN 11 2HB DPN 11 -5.939 3.516 -1.099
60 HB3 DPN 11 3HB DPN 11 -7.393 3.591 -0.110
61 HD1 DPN 11 1HD DPN 11 -9.443 4.087 -1.076
62 HD2 DPN 11 2HD DPN 11 -6.218 2.816 -3.546
63 HE1 DPN 11 1HE DPN 11 -10.778 4.599 -3.077
64 HE2 DPN 11 2HE DPN 11 -7.549 3.325 -5.551
65 HZ DPN 11 HZ DPN 11 -9.832 4.219 -5.320
66 H ARG 12 H ARG 12 -8.700 1.146 0.954
67 HA ARG 12 HA ARG 12 -7.098 1.448 3.362
68 HB3 ARG 12 2HB ARG 12 -9.976 0.657 3.431
69 HG3 ARG 12 2HG ARG 12 -8.521 2.787 4.975
70 HD3 ARG 12 2HD ARG 12 -10.419 2.159 6.603
71 HE ARG 12 HE ARG 12 -10.530 3.960 4.387
72 HH11 ARG 12 1HH2 ARG 12 -11.926 5.758 4.532
73 HH12 ARG 12 2HH2 ARG 12 -13.179 5.768 5.727
74 HH21 ARG 12 1HH1 ARG 12 -12.361 2.628 7.031
75 HH22 ARG 12 2HH1 ARG 12 -13.427 3.989 7.149
76 H TRP 13 H TRP 13 -6.154 -0.688 2.052
77 HA TRP 13 HA TRP 13 -7.166 -2.954 3.638
78 HB3 TRP 13 2HB TRP 13 -5.902 -3.459 0.980
79 HD1 TRP 13 HD TRP 13 -9.416 -4.586 1.916
80 HE1 TRP 13 1HE TRP 13 -9.389 -7.123 2.348
81 HE3 TRP 13 3HE TRP 13 -4.367 -5.378 1.792
82 HZ2 TRP 13 2HZ TRP 13 -7.481 -9.187 2.604
83 HZ3 TRP 13 3HZ TRP 13 -3.522 -7.663 2.140
84 HH2 TRP 13 HH TRP 13 -5.049 -9.527 2.539
85 H ARG 14 H ARG 14 -4.380 -2.000 1.619
86 HA ARG 14 HA ARG 14 -2.602 -2.725 3.827
87 HB3 ARG 14 2HB ARG 14 -2.418 -3.809 1.016
88 HG3 ARG 14 2HG ARG 14 -0.315 -3.546 3.091
89 HD3 ARG 14 2HD ARG 14 -0.696 -5.963 2.989
90 HE ARG 14 HE ARG 14 -0.879 -5.567 0.162
91 HH11 ARG 14 1HH2 ARG 14 -1.252 -7.395 -1.151
92 HH12 ARG 14 2HH2 ARG 14 -0.988 -8.979 -0.503
93 HH21 ARG 14 1HH1 ARG 14 0.011 -7.837 2.648
94 HH22 ARG 14 2HH1 ARG 14 -0.268 -9.230 1.657
Start of MODEL 5
1 H1 CYS 1 H CYS 1 -0.769 -2.012 3.714
2 HA CYS 1 HA CYS 1 0.083 -0.110 1.673
3 HB3 CYS 1 2HB CYS 1 -0.021 0.932 4.462
4 H THR 2 H THR 2 2.153 -0.541 1.344
5 HA THR 2 HA THR 2 3.789 -1.469 3.605
6 HB THR 2 HB THR 2 5.404 -2.116 1.673
7 HG1 THR 2 1HG THR 2 3.059 -2.374 0.151
8 HG21 THR 2 1HG2 THR 2 4.454 -3.852 2.941
9 HG22 THR 2 2HG2 THR 2 4.029 -4.240 1.273
10 HG23 THR 2 3HG2 THR 2 2.829 -3.515 2.344
11 H ALA 3 H ALA 3 6.245 -0.926 3.122
12 HA ALA 3 HA ALA 3 6.358 1.987 2.718
13 HB1 ALA 3 1HB ALA 3 8.008 0.137 4.415
14 HB2 ALA 3 2HB ALA 3 8.519 1.783 4.039
15 HB3 ALA 3 3HB ALA 3 7.018 1.505 4.922
16 H SER 4 H SER 4 6.372 0.420 0.441
17 HA SER 4 HA SER 4 9.006 -0.228 -0.426
18 HB3 SER 4 2HB SER 4 7.955 -0.391 -2.683
19 HG SER 4 HG SER 4 7.687 -2.004 -0.831
20 H ILE 5 H ILE 5 9.432 0.844 -2.833
21 HA ILE 5 HA ILE 5 9.285 3.753 -2.590
22 HB ILE 5 HB ILE 5 11.393 3.348 -1.565
23 HG13 ILE 5 2HG1 ILE 5 11.161 5.039 -3.544
24 HG21 ILE 5 1HG2 ILE 5 11.490 1.129 -3.388
25 HG22 ILE 5 2HG2 ILE 5 12.982 2.064 -3.472
26 HG23 ILE 5 3HG2 ILE 5 12.432 1.419 -1.926
27 HD11 ILE 5 1HD1 ILE 5 13.918 5.017 -3.484
28 HD12 ILE 5 2HD1 ILE 5 12.849 5.898 -2.391
29 HD13 ILE 5 3HD1 ILE 5 13.452 4.304 -1.940
30 HA PRO 6 HA PRO 6 7.992 4.802 -3.486
31 HB3 PRO 6 2HB PRO 6 6.943 5.785 -5.278
32 HG3 PRO 6 2HG PRO 6 6.640 4.629 -7.274
33 HD3 PRO 6 2HD PRO 6 8.888 4.248 -6.931
34 HA PRO 7 HA PRO 7 5.834 1.863 -1.028
35 HB3 PRO 7 2HB PRO 7 5.438 3.553 0.477
36 HG3 PRO 7 2HG PRO 7 4.942 5.708 -0.243
37 HD3 PRO 7 2HD PRO 7 6.826 5.293 -1.504
38 H ILE 8 H ILE 8 4.035 0.486 -0.938
39 HA ILE 8 HA ILE 8 2.204 0.723 -3.235
40 HB ILE 8 HB ILE 8 2.890 -1.817 -1.762
41 HG13 ILE 8 2HG1 ILE 8 4.343 -2.342 -3.705
42 HG21 ILE 8 1HG2 ILE 8 1.455 -1.217 -4.337
43 HG22 ILE 8 2HG2 ILE 8 2.028 -2.827 -3.903
44 HG23 ILE 8 3HG2 ILE 8 0.822 -2.021 -2.900
45 HD11 ILE 8 1HD1 ILE 8 5.153 -0.521 -5.127
46 HD12 ILE 8 2HD1 ILE 8 3.441 -0.859 -5.387
47 HD13 ILE 8 3HD1 ILE 8 3.929 0.547 -4.441
48 H CYS 9 H CYS 9 0.135 1.079 -2.806
49 HA CYS 9 HA CYS 9 -0.988 0.129 -0.266
50 HB3 CYS 9 2HB CYS 9 -2.280 2.279 -0.110
51 H HIS 10 H HIS 10 -2.940 -0.803 -0.446
52 HA HIS 10 HA HIS 10 -4.212 -0.761 -3.093
53 HB3 HIS 10 2HB HIS 10 -5.452 -2.806 -2.074
54 HD1 HIS 10 1HD HIS 10 -4.460 -2.910 -4.654
55 HD2 HIS 10 2HD HIS 10 -1.987 -4.195 -1.571
56 HE1 HIS 10 1HE HIS 10 -2.696 -4.328 -5.752
57 H DPN 11 H DPN 11 -4.765 1.492 -1.821
58 HA DPN 11 HA DPN 11 -7.596 1.228 -1.233
59 HB2 DPN 11 2HB DPN 11 -5.772 3.456 -1.989
60 HB3 DPN 11 3HB DPN 11 -7.220 3.865 -1.075
61 HD1 DPN 11 1HD DPN 11 -9.456 3.335 -2.008
62 HD2 DPN 11 2HD DPN 11 -5.883 2.857 -4.272
63 HE1 DPN 11 1HE DPN 11 -10.780 3.274 -4.081
64 HE2 DPN 11 2HE DPN 11 -7.203 2.794 -6.348
65 HZ DPN 11 HZ DPN 11 -9.655 3.004 -6.253
66 H ARG 12 H ARG 12 -7.904 0.516 0.815
67 HA ARG 12 HA ARG 12 -6.530 1.943 2.989
68 HB3 ARG 12 2HB ARG 12 -8.611 2.055 4.255
69 HG3 ARG 12 2HG ARG 12 -10.013 3.338 2.330
70 HD3 ARG 12 2HD ARG 12 -7.578 4.277 3.838
71 HE ARG 12 HE ARG 12 -9.100 5.752 1.950
72 HH11 ARG 12 1HH2 ARG 12 -8.806 8.010 1.818
73 HH12 ARG 12 2HH2 ARG 12 -8.065 8.852 3.137
74 HH21 ARG 12 1HH1 ARG 12 -7.611 5.985 5.088
75 HH22 ARG 12 2HH1 ARG 12 -7.384 7.700 4.997
76 H TRP 13 H TRP 13 -6.456 -0.809 1.626
77 HA TRP 13 HA TRP 13 -6.997 -2.488 3.971
78 HB3 TRP 13 2HB TRP 13 -6.323 -4.285 2.101
79 HD1 TRP 13 HD TRP 13 -9.457 -2.317 1.127
80 HE1 TRP 13 1HE TRP 13 -11.527 -3.610 1.947
81 HE3 TRP 13 3HE TRP 13 -7.117 -5.950 3.858
82 HZ2 TRP 13 2HZ TRP 13 -12.093 -5.870 3.540
83 HZ3 TRP 13 3HZ TRP 13 -8.493 -7.639 5.000
84 HH2 TRP 13 HH TRP 13 -10.930 -7.598 4.842
85 H ARG 14 H ARG 14 -4.554 -2.670 1.388
86 HA ARG 14 HA ARG 14 -2.547 -3.270 3.444
87 HB3 ARG 14 2HB ARG 14 -1.973 -3.595 0.538
88 HG3 ARG 14 2HG ARG 14 -1.167 -5.868 1.612
89 HD3 ARG 14 2HD ARG 14 0.540 -3.540 2.313
90 HE ARG 14 HE ARG 14 1.603 -5.476 0.536
91 HH11 ARG 14 1HH2 ARG 14 3.059 -7.037 1.338
92 HH12 ARG 14 2HH2 ARG 14 3.127 -7.344 3.040
93 HH21 ARG 14 1HH1 ARG 14 0.656 -5.008 3.854
94 HH22 ARG 14 2HH1 ARG 14 1.760 -6.192 4.472
Start of MODEL 6
1 H1 CYS 1 H CYS 1 -1.037 -1.426 3.866
2 HA CYS 1 HA CYS 1 0.016 -0.534 1.262
3 HB3 CYS 1 2HB CYS 1 0.294 1.693 2.097
4 H THR 2 H THR 2 2.173 -0.611 1.010
5 HA THR 2 HA THR 2 3.789 -1.310 3.374
6 HB THR 2 HB THR 2 5.332 -2.466 1.770
7 HG1 THR 2 1HG THR 2 4.087 -1.257 -0.061
8 HG21 THR 2 1HG2 THR 2 2.567 -3.337 2.396
9 HG22 THR 2 2HG2 THR 2 4.112 -4.056 2.850
10 HG23 THR 2 3HG2 THR 2 3.469 -4.302 1.228
11 H ALA 3 H ALA 3 5.705 -0.261 3.707
12 HA ALA 3 HA ALA 3 6.052 2.262 2.383
13 HB1 ALA 3 1HB ALA 3 7.648 2.754 4.020
14 HB2 ALA 3 2HB ALA 3 6.473 1.734 4.851
15 HB3 ALA 3 3HB ALA 3 8.006 1.052 4.311
16 H SER 4 H SER 4 6.294 0.843 0.290
17 HA SER 4 HA SER 4 8.972 -0.170 -0.135
18 HB3 SER 4 2HB SER 4 7.548 -1.463 -1.383
19 HG SER 4 HG SER 4 5.559 -0.828 -1.485
20 H ILE 5 H ILE 5 9.800 0.534 -2.516
21 HA ILE 5 HA ILE 5 9.748 3.467 -2.664
22 HB ILE 5 HB ILE 5 12.266 1.801 -2.777
23 HG13 ILE 5 2HG1 ILE 5 12.885 2.951 -0.705
24 HG21 ILE 5 1HG2 ILE 5 12.576 3.594 -4.257
25 HG22 ILE 5 2HG2 ILE 5 11.731 4.724 -3.199
26 HG23 ILE 5 3HG2 ILE 5 13.325 4.121 -2.750
27 HD11 ILE 5 1HD1 ILE 5 10.685 4.653 -1.315
28 HD12 ILE 5 2HD1 ILE 5 10.410 3.881 0.248
29 HD13 ILE 5 3HD1 ILE 5 11.888 4.801 -0.035
30 HA PRO 6 HA PRO 6 8.649 4.544 -3.752
31 HB3 PRO 6 2HB PRO 6 7.803 5.414 -5.701
32 HG3 PRO 6 2HG PRO 6 7.489 4.076 -7.576
33 HD3 PRO 6 2HD PRO 6 9.665 3.521 -7.052
34 HA PRO 7 HA PRO 7 6.048 2.146 -1.141
35 HB3 PRO 7 2HB PRO 7 5.698 4.041 0.108
36 HG3 PRO 7 2HG PRO 7 5.446 6.118 -0.909
37 HD3 PRO 7 2HD PRO 7 7.371 5.395 -1.952
38 H ILE 8 H ILE 8 3.724 1.438 -0.784
39 HA ILE 8 HA ILE 8 2.078 1.517 -3.191
40 HB ILE 8 HB ILE 8 3.028 -1.065 -1.944
41 HG13 ILE 8 2HG1 ILE 8 4.042 -1.508 -4.105
42 HG21 ILE 8 1HG2 ILE 8 0.777 -1.434 -2.493
43 HG22 ILE 8 2HG2 ILE 8 0.895 -0.487 -3.976
44 HG23 ILE 8 3HG2 ILE 8 1.684 -2.062 -3.869
45 HD11 ILE 8 1HD1 ILE 8 2.374 0.642 -5.018
46 HD12 ILE 8 2HD1 ILE 8 4.065 0.948 -5.414
47 HD13 ILE 8 3HD1 ILE 8 3.292 -0.544 -5.946
48 H CYS 9 H CYS 9 -0.095 1.256 -2.817
49 HA CYS 9 HA CYS 9 -1.012 0.428 -0.183
50 HB3 CYS 9 2HB CYS 9 -1.850 3.106 -1.303
51 H HIS 10 H HIS 10 -2.932 -0.594 -0.256
52 HA HIS 10 HA HIS 10 -4.285 -0.699 -2.861
53 HB3 HIS 10 2HB HIS 10 -5.397 -2.764 -1.716
54 HD1 HIS 10 1HD HIS 10 -4.723 -3.259 -4.235
55 HD2 HIS 10 2HD HIS 10 -1.657 -3.623 -1.455
56 HE1 HIS 10 1HE HIS 10 -2.903 -4.542 -5.403
57 H DPN 11 H DPN 11 -4.895 1.568 -1.607
58 HA DPN 11 HA DPN 11 -7.709 1.316 -1.157
59 HB2 DPN 11 2HB DPN 11 -6.296 3.282 -2.215
60 HB3 DPN 11 3HB DPN 11 -6.232 3.843 -0.548
61 HD1 DPN 11 1HD DPN 11 -7.726 5.527 -0.147
62 HD2 DPN 11 2HD DPN 11 -8.873 2.331 -2.712
63 HE1 DPN 11 1HE DPN 11 -9.955 6.537 -0.403
64 HE2 DPN 11 2HE DPN 11 -11.105 3.334 -2.972
65 HZ DPN 11 HZ DPN 11 -11.648 5.439 -1.816
66 H ARG 12 H ARG 12 -8.393 0.459 0.704
67 HA ARG 12 HA ARG 12 -7.177 1.430 3.208
68 HB3 ARG 12 2HB ARG 12 -9.355 1.429 4.253
69 HG3 ARG 12 2HG ARG 12 -9.829 2.753 1.604
70 HD3 ARG 12 2HD ARG 12 -10.431 3.769 4.365
71 HE ARG 12 HE ARG 12 -11.116 5.489 3.034
72 HH11 ARG 12 1HH2 ARG 12 -12.265 6.496 1.341
73 HH12 ARG 12 2HH2 ARG 12 -12.997 5.522 0.112
74 HH21 ARG 12 1HH1 ARG 12 -11.938 2.484 1.481
75 HH22 ARG 12 2HH1 ARG 12 -12.812 3.239 0.191
76 H TRP 13 H TRP 13 -6.136 -0.797 2.130
77 HA TRP 13 HA TRP 13 -7.193 -2.917 3.875
78 HB3 TRP 13 2HB TRP 13 -6.191 -4.434 1.917
79 HD1 TRP 13 HD TRP 13 -8.157 -5.945 2.810
80 HE1 TRP 13 1HE TRP 13 -10.685 -6.012 2.328
81 HE3 TRP 13 3HE TRP 13 -8.646 -1.452 0.420
82 HZ2 TRP 13 2HZ TRP 13 -12.628 -4.377 1.096
83 HZ3 TRP 13 3HZ TRP 13 -10.874 -0.778 -0.381
84 HH2 TRP 13 HH TRP 13 -12.822 -2.212 -0.048
85 H ARG 14 H ARG 14 -4.427 -2.681 1.646
86 HA ARG 14 HA ARG 14 -2.620 -2.891 3.952
87 HB3 ARG 14 2HB ARG 14 -3.022 -5.133 2.848
88 HG3 ARG 14 2HG ARG 14 -1.385 -3.922 0.630
89 HD3 ARG 14 2HD ARG 14 -1.398 -6.062 -0.381
90 HE ARG 14 HE ARG 14 -0.101 -5.805 1.993
91 HH11 ARG 14 1HH2 ARG 14 1.275 -7.386 2.894
92 HH12 ARG 14 2HH2 ARG 14 1.048 -9.051 2.478
93 HH21 ARG 14 1HH1 ARG 14 -1.663 -8.450 0.352
94 HH22 ARG 14 2HH1 ARG 14 -0.622 -9.657 1.032
Start of MODEL 7
1 H1 CYS 1 H CYS 1 -0.966 -1.715 3.803
2 HA CYS 1 HA CYS 1 -0.041 -0.144 1.495
3 HB3 CYS 1 2HB CYS 1 0.446 1.641 3.394
4 H THR 2 H THR 2 2.069 -0.323 1.146
5 HA THR 2 HA THR 2 3.786 -1.208 3.374
6 HB THR 2 HB THR 2 5.138 -2.472 1.851
7 HG1 THR 2 1HG THR 2 4.931 -2.340 -0.319
8 HG21 THR 2 1HG2 THR 2 2.218 -2.999 1.283
9 HG22 THR 2 2HG2 THR 2 3.133 -3.608 2.662
10 HG23 THR 2 3HG2 THR 2 3.538 -4.142 1.032
11 H ALA 3 H ALA 3 5.748 -0.217 3.646
12 HA ALA 3 HA ALA 3 6.064 2.360 2.377
13 HB1 ALA 3 1HB ALA 3 6.507 1.659 4.870
14 HB2 ALA 3 2HB ALA 3 8.103 1.250 4.241
15 HB3 ALA 3 3HB ALA 3 7.489 2.896 4.088
16 H SER 4 H SER 4 6.305 0.751 0.337
17 HA SER 4 HA SER 4 9.001 -0.180 -0.073
18 HB3 SER 4 2HB SER 4 7.599 -1.516 -1.299
19 HG SER 4 HG SER 4 5.620 -0.951 -1.806
20 H ILE 5 H ILE 5 9.828 0.481 -2.468
21 HA ILE 5 HA ILE 5 9.745 3.410 -2.680
22 HB ILE 5 HB ILE 5 12.287 1.781 -2.776
23 HG13 ILE 5 2HG1 ILE 5 10.954 3.356 -0.624
24 HG21 ILE 5 1HG2 ILE 5 11.626 4.340 -3.827
25 HG22 ILE 5 2HG2 ILE 5 12.753 4.559 -2.489
26 HG23 ILE 5 3HG2 ILE 5 13.182 3.510 -3.840
27 HD11 ILE 5 1HD1 ILE 5 12.449 0.813 -0.848
28 HD12 ILE 5 2HD1 ILE 5 12.567 1.706 0.669
29 HD13 ILE 5 3HD1 ILE 5 10.990 1.199 0.064
30 HA PRO 6 HA PRO 6 8.637 4.450 -3.794
31 HB3 PRO 6 2HB PRO 6 7.787 5.269 -5.764
32 HG3 PRO 6 2HG PRO 6 7.495 3.887 -7.610
33 HD3 PRO 6 2HD PRO 6 9.675 3.368 -7.068
34 HA PRO 7 HA PRO 7 6.057 2.078 -1.139
35 HB3 PRO 7 2HB PRO 7 5.684 3.996 0.070
36 HG3 PRO 7 2HG PRO 7 5.414 6.049 -0.990
37 HD3 PRO 7 2HD PRO 7 7.349 5.324 -2.013
38 H ILE 8 H ILE 8 3.664 1.468 -0.749
39 HA ILE 8 HA ILE 8 2.079 1.415 -3.196
40 HB ILE 8 HB ILE 8 2.974 -1.097 -1.782
41 HG13 ILE 8 2HG1 ILE 8 3.999 -1.684 -3.901
42 HG21 ILE 8 1HG2 ILE 8 0.879 -1.754 -2.332
43 HG22 ILE 8 2HG2 ILE 8 0.709 -0.534 -3.592
44 HG23 ILE 8 3HG2 ILE 8 1.629 -2.004 -3.909
45 HD11 ILE 8 1HD1 ILE 8 2.398 0.489 -4.942
46 HD12 ILE 8 2HD1 ILE 8 4.096 0.627 -5.403
47 HD13 ILE 8 3HD1 ILE 8 3.194 -0.840 -5.785
48 H CYS 9 H CYS 9 -0.097 1.268 -2.848
49 HA CYS 9 HA CYS 9 -1.110 0.547 -0.223
50 HB3 CYS 9 2HB CYS 9 -2.524 2.757 -0.345
51 H HIS 10 H HIS 10 -2.846 -0.675 -0.503
52 HA HIS 10 HA HIS 10 -4.292 -0.513 -3.048
53 HB3 HIS 10 2HB HIS 10 -4.566 -2.678 -0.964
54 HD1 HIS 10 1HD HIS 10 -4.965 -1.805 -4.632
55 HD2 HIS 10 2HD HIS 10 -6.206 -4.654 -1.875
56 HE1 HIS 10 1HE HIS 10 -6.664 -3.212 -5.839
57 H DPN 11 H DPN 11 -4.891 1.569 -1.436
58 HA DPN 11 HA DPN 11 -7.695 1.105 -0.894
59 HB2 DPN 11 2HB DPN 11 -6.716 3.158 -2.077
60 HB3 DPN 11 3HB DPN 11 -6.212 3.695 -0.478
61 HD1 DPN 11 1HD DPN 11 -7.697 4.817 0.922
62 HD2 DPN 11 2HD DPN 11 -9.185 2.707 -2.462
63 HE1 DPN 11 1HE DPN 11 -9.924 5.795 1.295
64 HE2 DPN 11 2HE DPN 11 -11.414 3.680 -2.094
65 HZ DPN 11 HZ DPN 11 -11.786 5.228 -0.213
66 H ARG 12 H ARG 12 -8.453 0.542 1.026
67 HA ARG 12 HA ARG 12 -6.997 1.418 3.431
68 HB3 ARG 12 2HB ARG 12 -9.102 1.274 4.630
69 HG3 ARG 12 2HG ARG 12 -10.500 2.691 2.716
70 HD3 ARG 12 2HD ARG 12 -9.391 4.685 3.851
71 HE ARG 12 HE ARG 12 -11.116 2.772 5.074
72 HH11 ARG 12 1HH2 ARG 12 -12.459 3.463 6.784
73 HH12 ARG 12 2HH2 ARG 12 -12.105 4.951 7.596
74 HH21 ARG 12 1HH1 ARG 12 -9.289 5.678 5.654
75 HH22 ARG 12 2HH1 ARG 12 -10.304 6.212 6.954
76 H TRP 13 H TRP 13 -6.543 -1.004 1.748
77 HA TRP 13 HA TRP 13 -7.186 -3.103 3.703
78 HB3 TRP 13 2HB TRP 13 -6.203 -4.485 1.603
79 HD1 TRP 13 HD TRP 13 -9.507 -2.623 0.959
80 HE1 TRP 13 1HE TRP 13 -11.451 -4.269 1.339
81 HE3 TRP 13 3HE TRP 13 -6.857 -6.607 2.760
82 HZ2 TRP 13 2HZ TRP 13 -11.812 -6.906 2.280
83 HZ3 TRP 13 3HZ TRP 13 -8.077 -8.653 3.377
84 HH2 TRP 13 HH TRP 13 -10.503 -8.796 3.142
85 H ARG 14 H ARG 14 -4.530 -2.544 1.387
86 HA ARG 14 HA ARG 14 -2.640 -3.145 3.566
87 HB3 ARG 14 2HB ARG 14 -2.461 -3.938 0.656
88 HG3 ARG 14 2HG ARG 14 -0.482 -4.482 2.858
89 HD3 ARG 14 2HD ARG 14 -0.711 -6.328 1.264
90 HE ARG 14 HE ARG 14 -1.016 -4.404 -0.699
91 HH11 ARG 14 1HH2 ARG 14 -0.860 -4.897 -2.921
92 HH12 ARG 14 2HH2 ARG 14 0.029 -6.294 -3.423
93 HH21 ARG 14 1HH1 ARG 14 0.913 -7.254 -0.177
94 HH22 ARG 14 2HH1 ARG 14 1.037 -7.636 -1.863
Start of MODEL 8
1 H1 CYS 1 H CYS 1 -0.875 -1.369 4.142
2 HA CYS 1 HA CYS 1 0.193 -0.300 1.615
3 HB3 CYS 1 2HB CYS 1 0.881 1.689 3.237
4 H THR 2 H THR 2 2.375 -0.327 1.381
5 HA THR 2 HA THR 2 3.943 -1.375 3.648
6 HB THR 2 HB THR 2 5.474 -2.260 1.730
7 HG1 THR 2 1HG THR 2 4.459 -1.442 -0.057
8 HG21 THR 2 1HG2 THR 2 4.665 -4.005 2.924
9 HG22 THR 2 2HG2 THR 2 3.647 -4.233 1.503
10 HG23 THR 2 3HG2 THR 2 3.015 -3.385 2.914
11 H ALA 3 H ALA 3 6.304 -0.879 3.481
12 HA ALA 3 HA ALA 3 6.630 1.936 2.812
13 HB1 ALA 3 1HB ALA 3 8.898 1.531 3.960
14 HB2 ALA 3 2HB ALA 3 7.438 1.498 4.948
15 HB3 ALA 3 3HB ALA 3 8.205 -0.013 4.454
16 H SER 4 H SER 4 6.386 0.535 0.515
17 HA SER 4 HA SER 4 8.926 -0.318 -0.514
18 HB3 SER 4 2HB SER 4 6.356 0.303 -1.991
19 HG SER 4 HG SER 4 8.046 -1.593 -2.997
20 H ILE 5 H ILE 5 9.595 0.668 -2.732
21 HA ILE 5 HA ILE 5 9.416 3.599 -2.643
22 HB ILE 5 HB ILE 5 11.992 2.060 -2.998
23 HG13 ILE 5 2HG1 ILE 5 10.739 3.475 -0.687
24 HG21 ILE 5 1HG2 ILE 5 11.217 4.681 -3.816
25 HG22 ILE 5 2HG2 ILE 5 12.434 4.811 -2.548
26 HG23 ILE 5 3HG2 ILE 5 12.776 3.876 -4.005
27 HD11 ILE 5 1HD1 ILE 5 10.954 1.481 0.232
28 HD12 ILE 5 2HD1 ILE 5 11.789 0.877 -1.199
29 HD13 ILE 5 3HD1 ILE 5 12.706 1.632 0.104
30 HA PRO 6 HA PRO 6 8.232 4.713 -3.592
31 HB3 PRO 6 2HB PRO 6 7.260 5.695 -5.426
32 HG3 PRO 6 2HG PRO 6 6.906 4.493 -7.385
33 HD3 PRO 6 2HD PRO 6 9.122 3.987 -7.005
34 HA PRO 7 HA PRO 7 5.875 1.999 -1.059
35 HB3 PRO 7 2HB PRO 7 5.564 3.761 0.381
36 HG3 PRO 7 2HG PRO 7 5.206 5.914 -0.419
37 HD3 PRO 7 2HD PRO 7 7.075 5.344 -1.641
38 H ILE 8 H ILE 8 3.989 0.738 -0.939
39 HA ILE 8 HA ILE 8 2.223 0.978 -3.283
40 HB ILE 8 HB ILE 8 2.699 -1.506 -1.638
41 HG13 ILE 8 2HG1 ILE 8 4.132 -2.259 -3.510
42 HG21 ILE 8 1HG2 ILE 8 1.912 -2.306 -4.109
43 HG22 ILE 8 2HG2 ILE 8 0.830 -2.093 -2.733
44 HG23 ILE 8 3HG2 ILE 8 1.003 -0.806 -3.926
45 HD11 ILE 8 1HD1 ILE 8 4.603 -1.086 -5.355
46 HD12 ILE 8 2HD1 ILE 8 3.090 -0.252 -4.994
47 HD13 ILE 8 3HD1 ILE 8 4.627 0.454 -4.495
48 H CYS 9 H CYS 9 0.028 0.943 -3.044
49 HA CYS 9 HA CYS 9 -1.140 0.470 -0.421
50 HB3 CYS 9 2HB CYS 9 -2.454 2.683 -0.715
51 H HIS 10 H HIS 10 -2.961 -0.644 -0.646
52 HA HIS 10 HA HIS 10 -4.242 -0.711 -3.286
53 HB3 HIS 10 2HB HIS 10 -5.300 -2.808 -2.483
54 HD1 HIS 10 1HD HIS 10 -2.545 -1.784 -4.009
55 HD2 HIS 10 2HD HIS 10 -3.098 -5.057 -1.510
56 HE1 HIS 10 1HE HIS 10 -0.707 -3.397 -4.596
57 H DPN 11 H DPN 11 -4.647 1.454 -1.368
58 HA DPN 11 HA DPN 11 -7.562 1.273 -1.203
59 HB2 DPN 11 2HB DPN 11 -6.495 3.197 -2.394
60 HB3 DPN 11 3HB DPN 11 -5.800 3.707 -0.858
61 HD1 DPN 11 1HD DPN 11 -6.928 5.278 0.379
62 HD2 DPN 11 2HD DPN 11 -9.109 2.838 -2.343
63 HE1 DPN 11 1HE DPN 11 -8.973 6.550 0.883
64 HE2 DPN 11 2HE DPN 11 -11.157 4.106 -1.843
65 HZ DPN 11 HZ DPN 11 -11.092 5.964 -0.229
66 H ARG 12 H ARG 12 -8.339 0.568 0.670
67 HA ARG 12 HA ARG 12 -7.068 1.515 3.155
68 HB3 ARG 12 2HB ARG 12 -9.389 1.189 4.155
69 HG3 ARG 12 2HG ARG 12 -8.861 3.312 2.106
70 HD3 ARG 12 2HD ARG 12 -10.774 4.520 3.240
71 HE ARG 12 HE ARG 12 -10.928 2.832 1.070
72 HH11 ARG 12 1HH2 ARG 12 -12.776 2.687 -0.257
73 HH12 ARG 12 2HH2 ARG 12 -14.321 3.132 0.384
74 HH21 ARG 12 1HH1 ARG 12 -13.092 3.968 3.547
75 HH22 ARG 12 2HH1 ARG 12 -14.503 3.861 2.547
76 H TRP 13 H TRP 13 -6.292 -0.851 1.782
77 HA TRP 13 HA TRP 13 -7.296 -2.937 3.607
78 HB3 TRP 13 2HB TRP 13 -5.840 -3.618 1.086
79 HD1 TRP 13 HD TRP 13 -5.641 -6.156 1.131
80 HE1 TRP 13 1HE TRP 13 -7.044 -8.112 2.042
81 HE3 TRP 13 3HE TRP 13 -9.505 -3.502 3.171
82 HZ2 TRP 13 2HZ TRP 13 -9.469 -8.482 3.439
83 HZ3 TRP 13 3HZ TRP 13 -11.326 -4.733 4.277
84 HH2 TRP 13 HH TRP 13 -11.307 -7.170 4.406
85 H ARG 14 H ARG 14 -4.363 -2.147 1.728
86 HA ARG 14 HA ARG 14 -2.752 -2.621 4.118
87 HB3 ARG 14 2HB ARG 14 -1.195 -4.076 2.917
88 HG3 ARG 14 2HG ARG 14 -4.043 -5.033 2.809
89 HD3 ARG 14 2HD ARG 14 -2.736 -6.394 1.301
90 HE ARG 14 HE ARG 14 -0.637 -6.143 3.218
91 HH11 ARG 14 1HH2 ARG 14 1.354 -7.165 2.779
92 HH12 ARG 14 2HH2 ARG 14 1.427 -8.407 1.575
93 HH21 ARG 14 1HH1 ARG 14 -1.972 -8.232 0.773
94 HH22 ARG 14 2HH1 ARG 14 -0.464 -9.014 0.433
Start of MODEL 9
1 H1 CYS 1 H CYS 1 -1.063 -1.713 3.975
2 HA CYS 1 HA CYS 1 0.045 -0.168 1.727
3 HB3 CYS 1 2HB CYS 1 0.533 1.562 3.660
4 H THR 2 H THR 2 2.257 0.171 1.730
5 HA THR 2 HA THR 2 3.828 -0.981 3.912
6 HB THR 2 HB THR 2 5.336 -2.024 2.089
7 HG1 THR 2 1HG THR 2 2.874 -2.093 0.670
8 HG21 THR 2 1HG2 THR 2 2.751 -3.061 3.146
9 HG22 THR 2 2HG2 THR 2 4.399 -3.600 3.468
10 HG23 THR 2 3HG2 THR 2 3.614 -4.024 1.947
11 H ALA 3 H ALA 3 6.189 -0.490 3.647
12 HA ALA 3 HA ALA 3 6.473 2.256 2.684
13 HB1 ALA 3 1HB ALA 3 8.231 0.600 4.488
14 HB2 ALA 3 2HB ALA 3 8.550 2.272 4.023
15 HB3 ALA 3 3HB ALA 3 7.120 1.880 4.978
16 H SER 4 H SER 4 6.352 0.793 0.521
17 HA SER 4 HA SER 4 8.877 -0.309 -0.287
18 HB3 SER 4 2HB SER 4 7.655 -0.196 -2.609
19 HG SER 4 HG SER 4 7.791 -2.171 -1.725
20 H ILE 5 H ILE 5 9.460 0.526 -2.724
21 HA ILE 5 HA ILE 5 9.588 3.441 -2.756
22 HB ILE 5 HB ILE 5 12.094 1.770 -2.962
23 HG13 ILE 5 2HG1 ILE 5 11.192 1.808 -0.657
24 HG21 ILE 5 1HG2 ILE 5 13.267 3.865 -3.023
25 HG22 ILE 5 2HG2 ILE 5 12.029 3.874 -4.278
26 HG23 ILE 5 3HG2 ILE 5 11.767 4.760 -2.777
27 HD11 ILE 5 1HD1 ILE 5 13.317 3.678 -0.142
28 HD12 ILE 5 2HD1 ILE 5 13.232 1.946 0.188
29 HD13 ILE 5 3HD1 ILE 5 13.778 2.519 -1.388
30 HA PRO 6 HA PRO 6 8.484 4.527 -3.830
31 HB3 PRO 6 2HB PRO 6 7.641 5.423 -5.771
32 HG3 PRO 6 2HG PRO 6 7.321 4.105 -7.661
33 HD3 PRO 6 2HD PRO 6 9.492 3.532 -7.142
34 HA PRO 7 HA PRO 7 5.908 2.083 -1.235
35 HB3 PRO 7 2HB PRO 7 5.650 3.940 0.093
36 HG3 PRO 7 2HG PRO 7 5.440 6.061 -0.839
37 HD3 PRO 7 2HD PRO 7 7.314 5.319 -1.958
38 H ILE 8 H ILE 8 3.934 0.956 -1.097
39 HA ILE 8 HA ILE 8 2.098 1.336 -3.369
40 HB ILE 8 HB ILE 8 3.219 -1.249 -2.303
41 HG13 ILE 8 2HG1 ILE 8 3.355 0.277 -4.867
42 HG21 ILE 8 1HG2 ILE 8 0.782 -0.797 -4.006
43 HG22 ILE 8 2HG2 ILE 8 1.634 -2.338 -3.933
44 HG23 ILE 8 3HG2 ILE 8 0.894 -1.669 -2.479
45 HD11 ILE 8 1HD1 ILE 8 5.285 0.273 -3.358
46 HD12 ILE 8 2HD1 ILE 8 5.358 -1.485 -3.477
47 HD13 ILE 8 3HD1 ILE 8 5.642 -0.493 -4.906
48 H CYS 9 H CYS 9 -0.056 1.154 -2.950
49 HA CYS 9 HA CYS 9 -0.950 0.152 -0.368
50 HB3 CYS 9 2HB CYS 9 -2.424 2.322 -0.251
51 H HIS 10 H HIS 10 -3.107 -0.489 -0.333
52 HA HIS 10 HA HIS 10 -4.421 -0.523 -2.970
53 HB3 HIS 10 2HB HIS 10 -5.570 -2.592 -2.138
54 HD1 HIS 10 1HD HIS 10 -4.474 -3.346 -4.345
55 HD2 HIS 10 2HD HIS 10 -1.874 -3.279 -1.105
56 HE1 HIS 10 1HE HIS 10 -2.422 -4.586 -5.104
57 H DPN 11 H DPN 11 -4.766 1.693 -1.344
58 HA DPN 11 HA DPN 11 -7.627 1.636 -0.985
59 HB2 DPN 11 2HB DPN 11 -6.263 3.562 -1.977
60 HB3 DPN 11 3HB DPN 11 -5.802 3.941 -0.321
61 HD1 DPN 11 1HD DPN 11 -7.713 4.321 1.358
62 HD2 DPN 11 2HD DPN 11 -8.219 4.421 -2.866
63 HE1 DPN 11 1HE DPN 11 -9.785 5.618 1.642
64 HE2 DPN 11 2HE DPN 11 -10.292 5.716 -2.590
65 HZ DPN 11 HZ DPN 11 -11.077 6.316 -0.335
66 H ARG 12 H ARG 12 -8.185 0.472 0.795
67 HA ARG 12 HA ARG 12 -7.021 1.313 3.367
68 HB3 ARG 12 2HB ARG 12 -9.180 2.306 3.302
69 HG3 ARG 12 2HG ARG 12 -10.249 -0.368 2.427
70 HD3 ARG 12 2HD ARG 12 -12.372 1.198 2.271
71 HE ARG 12 HE ARG 12 -11.644 -0.734 4.102
72 HH11 ARG 12 1HH2 ARG 12 -13.081 -1.523 5.688
73 HH12 ARG 12 2HH2 ARG 12 -14.416 -0.543 6.190
74 HH21 ARG 12 1HH1 ARG 12 -13.636 2.120 4.063
75 HH22 ARG 12 2HH1 ARG 12 -14.733 1.528 5.267
76 H TRP 13 H TRP 13 -6.404 -0.971 1.609
77 HA TRP 13 HA TRP 13 -7.266 -3.199 3.329
78 HB3 TRP 13 2HB TRP 13 -5.917 -3.613 0.686
79 HD1 TRP 13 HD TRP 13 -5.483 -6.134 0.782
80 HE1 TRP 13 1HE TRP 13 -6.844 -8.213 1.458
81 HE3 TRP 13 3HE TRP 13 -9.686 -3.817 2.547
82 HZ2 TRP 13 2HZ TRP 13 -9.363 -8.793 2.589
83 HZ3 TRP 13 3HZ TRP 13 -11.524 -5.206 3.409
84 HH2 TRP 13 HH TRP 13 -11.365 -7.643 3.428
85 H ARG 14 H ARG 14 -4.412 -2.397 1.335
86 HA ARG 14 HA ARG 14 -2.714 -3.127 3.621
87 HB3 ARG 14 2HB ARG 14 -2.373 -4.018 0.755
88 HG3 ARG 14 2HG ARG 14 -0.443 -4.005 3.020
89 HD3 ARG 14 2HD ARG 14 -0.337 -6.039 0.806
90 HE ARG 14 HE ARG 14 1.542 -5.281 2.755
91 HH11 ARG 14 1HH2 ARG 14 3.384 -6.575 3.132
92 HH12 ARG 14 2HH2 ARG 14 3.374 -8.234 2.640
93 HH21 ARG 14 1HH1 ARG 14 0.131 -8.129 1.336
94 HH22 ARG 14 2HH1 ARG 14 1.525 -9.119 1.618
Start of MODEL 10
1 H1 CYS 1 H CYS 1 -0.876 -1.592 3.932
2 HA CYS 1 HA CYS 1 0.180 -0.294 1.520
3 HB3 CYS 1 2HB CYS 1 0.107 1.258 4.073
4 H THR 2 H THR 2 2.337 -0.368 1.357
5 HA THR 2 HA THR 2 3.876 -1.131 3.752
6 HB THR 2 HB THR 2 5.466 -2.257 2.108
7 HG1 THR 2 1HG THR 2 4.908 -2.305 0.066
8 HG21 THR 2 1HG2 THR 2 2.683 -3.372 2.470
9 HG22 THR 2 2HG2 THR 2 4.041 -3.555 3.579
10 HG23 THR 2 3HG2 THR 2 4.096 -4.310 1.988
11 H ALA 3 H ALA 3 6.138 -0.473 3.738
12 HA ALA 3 HA ALA 3 6.423 2.215 2.695
13 HB1 ALA 3 1HB ALA 3 8.229 0.569 4.462
14 HB2 ALA 3 2HB ALA 3 8.499 2.257 4.028
15 HB3 ALA 3 3HB ALA 3 7.085 1.808 4.982
16 H SER 4 H SER 4 6.320 0.725 0.523
17 HA SER 4 HA SER 4 8.899 -0.249 -0.304
18 HB3 SER 4 2HB SER 4 6.398 0.261 -1.936
19 HG SER 4 HG SER 4 8.611 -1.418 -2.507
20 H ILE 5 H ILE 5 9.726 0.553 -2.521
21 HA ILE 5 HA ILE 5 9.561 3.483 -2.679
22 HB ILE 5 HB ILE 5 11.599 3.117 -1.504
23 HG13 ILE 5 2HG1 ILE 5 12.265 3.477 -4.436
24 HG21 ILE 5 1HG2 ILE 5 12.557 1.115 -1.609
25 HG22 ILE 5 2HG2 ILE 5 11.711 0.725 -3.107
26 HG23 ILE 5 3HG2 ILE 5 13.244 1.595 -3.162
27 HD11 ILE 5 1HD1 ILE 5 10.643 5.112 -3.982
28 HD12 ILE 5 2HD1 ILE 5 11.309 5.441 -2.381
29 HD13 ILE 5 3HD1 ILE 5 12.200 5.923 -3.825
30 HA PRO 6 HA PRO 6 8.437 4.539 -3.758
31 HB3 PRO 6 2HB PRO 6 7.557 5.394 -5.701
32 HG3 PRO 6 2HG PRO 6 7.266 4.052 -7.578
33 HD3 PRO 6 2HD PRO 6 9.456 3.549 -7.067
34 HA PRO 7 HA PRO 7 5.934 2.053 -1.133
35 HB3 PRO 7 2HB PRO 7 5.592 3.923 0.157
36 HG3 PRO 7 2HG PRO 7 5.302 6.015 -0.815
37 HD3 PRO 7 2HD PRO 7 7.210 5.330 -1.910
38 H ILE 8 H ILE 8 3.924 0.937 -0.920
39 HA ILE 8 HA ILE 8 2.245 1.042 -3.341
40 HB ILE 8 HB ILE 8 2.742 -1.413 -1.661
41 HG13 ILE 8 2HG1 ILE 8 4.185 -2.177 -3.523
42 HG21 ILE 8 1HG2 ILE 8 1.881 -2.496 -3.815
43 HG22 ILE 8 2HG2 ILE 8 0.710 -1.680 -2.780
44 HG23 ILE 8 3HG2 ILE 8 1.302 -0.884 -4.238
45 HD11 ILE 8 1HD1 ILE 8 4.685 -1.003 -5.367
46 HD12 ILE 8 2HD1 ILE 8 3.129 -0.233 -5.051
47 HD13 ILE 8 3HD1 ILE 8 4.622 0.546 -4.529
48 H CYS 9 H CYS 9 0.066 1.084 -3.102
49 HA CYS 9 HA CYS 9 -1.123 0.585 -0.493
50 HB3 CYS 9 2HB CYS 9 -2.397 2.788 -0.686
51 H HIS 10 H HIS 10 -3.042 -0.390 -0.676
52 HA HIS 10 HA HIS 10 -4.345 -0.360 -3.319
53 HB3 HIS 10 2HB HIS 10 -5.357 -2.577 -2.485
54 HD1 HIS 10 1HD HIS 10 -3.068 -1.237 -4.525
55 HD2 HIS 10 2HD HIS 10 -3.037 -4.864 -2.501
56 HE1 HIS 10 1HE HIS 10 -1.480 -2.708 -5.805
57 H DPN 11 H DPN 11 -4.745 1.546 -1.133
58 HA DPN 11 HA DPN 11 -7.641 1.239 -0.899
59 HB2 DPN 11 2HB DPN 11 -6.575 3.354 -1.803
60 HB3 DPN 11 3HB DPN 11 -5.991 3.661 -0.170
61 HD1 DPN 11 1HD DPN 11 -7.219 5.161 1.038
62 HD2 DPN 11 2HD DPN 11 -9.212 2.683 -1.790
63 HE1 DPN 11 1HE DPN 11 -9.355 6.247 1.597
64 HE2 DPN 11 2HE DPN 11 -11.352 3.764 -1.235
65 HZ DPN 11 HZ DPN 11 -11.426 5.547 0.462
66 H ARG 12 H ARG 12 -8.686 0.940 0.983
67 HA ARG 12 HA ARG 12 -7.272 1.341 3.506
68 HB3 ARG 12 2HB ARG 12 -10.097 0.388 3.386
69 HG3 ARG 12 2HG ARG 12 -9.108 2.690 4.996
70 HD3 ARG 12 2HD ARG 12 -11.293 0.671 5.115
71 HE ARG 12 HE ARG 12 -9.881 1.004 7.386
72 HH11 ARG 12 1HH2 ARG 12 -10.741 1.009 9.499
73 HH12 ARG 12 2HH2 ARG 12 -12.384 1.496 9.749
74 HH21 ARG 12 1HH1 ARG 12 -13.019 2.114 6.367
75 HH22 ARG 12 2HH1 ARG 12 -13.681 2.122 7.968
76 H TRP 13 H TRP 13 -6.308 -0.782 1.979
77 HA TRP 13 HA TRP 13 -7.212 -3.105 3.552
78 HB3 TRP 13 2HB TRP 13 -6.075 -4.326 1.464
79 HD1 TRP 13 HD TRP 13 -7.883 -6.145 1.630
80 HE1 TRP 13 1HE TRP 13 -10.426 -6.241 1.251
81 HE3 TRP 13 3HE TRP 13 -8.785 -1.163 0.919
82 HZ2 TRP 13 2HZ TRP 13 -12.536 -4.442 0.718
83 HZ3 TRP 13 3HZ TRP 13 -11.094 -0.434 0.479
84 HH2 TRP 13 HH TRP 13 -12.929 -2.041 0.381
85 H ARG 14 H ARG 14 -4.398 -2.412 1.482
86 HA ARG 14 HA ARG 14 -2.660 -2.933 3.796
87 HB3 ARG 14 2HB ARG 14 -1.087 -4.070 2.166
88 HG3 ARG 14 2HG ARG 14 -2.604 -6.164 1.918
89 HD3 ARG 14 2HD ARG 14 -0.847 -5.558 3.722
90 HE ARG 14 HE ARG 14 -3.070 -4.437 4.988
91 HH11 ARG 14 1HH2 ARG 14 -3.025 -3.938 7.212
92 HH12 ARG 14 2HH2 ARG 14 -1.882 -4.732 8.241
93 HH21 ARG 14 1HH1 ARG 14 -0.470 -6.646 5.678
94 HH22 ARG 14 2HH1 ARG 14 -0.427 -6.273 7.369
Start of MODEL 11
1 H1 CYS 1 H CYS 1 -0.928 -2.015 3.827
2 HA CYS 1 HA CYS 1 0.049 -0.280 1.675
3 HB3 CYS 1 2HB CYS 1 0.149 0.821 4.435
4 H THR 2 H THR 2 2.240 -0.079 1.561
5 HA THR 2 HA THR 2 3.846 -1.283 3.709
6 HB THR 2 HB THR 2 5.206 -2.521 2.185
7 HG1 THR 2 1HG THR 2 5.169 -2.219 0.043
8 HG21 THR 2 1HG2 THR 2 2.602 -3.201 0.964
9 HG22 THR 2 2HG2 THR 2 2.662 -3.212 2.727
10 HG23 THR 2 3HG2 THR 2 3.765 -4.229 1.800
11 H ALA 3 H ALA 3 6.177 -0.725 3.523
12 HA ALA 3 HA ALA 3 6.442 2.071 2.714
13 HB1 ALA 3 1HB ALA 3 8.498 2.039 4.081
14 HB2 ALA 3 2HB ALA 3 7.063 1.569 4.992
15 HB3 ALA 3 3HB ALA 3 8.202 0.339 4.443
16 H SER 4 H SER 4 6.370 0.778 0.462
17 HA SER 4 HA SER 4 8.937 -0.241 -0.363
18 HB3 SER 4 2HB SER 4 7.726 -0.070 -2.689
19 HG SER 4 HG SER 4 8.058 -2.001 -1.370
20 H ILE 5 H ILE 5 9.506 0.720 -2.758
21 HA ILE 5 HA ILE 5 9.533 3.636 -2.656
22 HB ILE 5 HB ILE 5 11.557 3.168 -1.491
23 HG13 ILE 5 2HG1 ILE 5 11.533 4.784 -3.535
24 HG21 ILE 5 1HG2 ILE 5 13.200 1.719 -3.199
25 HG22 ILE 5 2HG2 ILE 5 12.456 1.146 -1.705
26 HG23 ILE 5 3HG2 ILE 5 11.649 0.879 -3.252
27 HD11 ILE 5 1HD1 ILE 5 13.724 3.945 -1.835
28 HD12 ILE 5 2HD1 ILE 5 14.270 4.600 -3.378
29 HD13 ILE 5 3HD1 ILE 5 13.227 5.562 -2.332
30 HA PRO 6 HA PRO 6 8.385 4.732 -3.677
31 HB3 PRO 6 2HB PRO 6 7.509 5.689 -5.572
32 HG3 PRO 6 2HG PRO 6 7.231 4.452 -7.522
33 HD3 PRO 6 2HD PRO 6 9.422 3.932 -7.031
34 HA PRO 7 HA PRO 7 5.909 2.074 -1.200
35 HB3 PRO 7 2HB PRO 7 5.598 3.852 0.222
36 HG3 PRO 7 2HG PRO 7 5.315 6.009 -0.600
37 HD3 PRO 7 2HD PRO 7 7.206 5.387 -1.761
38 H ILE 8 H ILE 8 3.974 0.877 -1.115
39 HA ILE 8 HA ILE 8 2.118 1.310 -3.360
40 HB ILE 8 HB ILE 8 3.324 -1.285 -2.421
41 HG13 ILE 8 2HG1 ILE 8 3.391 0.361 -4.913
42 HG21 ILE 8 1HG2 ILE 8 1.063 -1.853 -2.607
43 HG22 ILE 8 2HG2 ILE 8 0.821 -0.804 -4.001
44 HG23 ILE 8 3HG2 ILE 8 1.751 -2.293 -4.169
45 HD11 ILE 8 1HD1 ILE 8 5.460 -1.389 -3.608
46 HD12 ILE 8 2HD1 ILE 8 5.703 -0.331 -4.999
47 HD13 ILE 8 3HD1 ILE 8 5.328 0.360 -3.420
48 H CYS 9 H CYS 9 -0.029 1.046 -2.947
49 HA CYS 9 HA CYS 9 -0.873 -0.084 -0.394
50 HB3 CYS 9 2HB CYS 9 -2.319 1.896 0.068
51 H HIS 10 H HIS 10 -3.110 -0.633 -0.319
52 HA HIS 10 HA HIS 10 -4.349 -0.807 -2.988
53 HB3 HIS 10 2HB HIS 10 -5.577 -2.810 -1.936
54 HD1 HIS 10 1HD HIS 10 -4.929 -4.823 -3.239
55 HD2 HIS 10 2HD HIS 10 -1.672 -2.374 -2.424
56 HE1 HIS 10 1HE HIS 10 -2.998 -5.833 -4.493
57 H DPN 11 H DPN 11 -4.758 1.487 -1.543
58 HA DPN 11 HA DPN 11 -7.622 1.365 -1.122
59 HB2 DPN 11 2HB DPN 11 -5.615 3.521 -1.558
60 HB3 DPN 11 3HB DPN 11 -7.085 3.945 -0.687
61 HD1 DPN 11 1HD DPN 11 -8.374 5.193 -2.139
62 HD2 DPN 11 2HD DPN 11 -6.544 1.615 -3.539
63 HE1 DPN 11 1HE DPN 11 -9.571 5.421 -4.275
64 HE2 DPN 11 2HE DPN 11 -7.739 1.836 -5.677
65 HZ DPN 11 HZ DPN 11 -9.254 3.742 -6.049
66 H ARG 12 H ARG 12 -8.197 0.590 0.822
67 HA ARG 12 HA ARG 12 -6.875 1.719 3.200
68 HB3 ARG 12 2HB ARG 12 -9.010 1.812 4.335
69 HG3 ARG 12 2HG ARG 12 -10.231 3.099 2.166
70 HD3 ARG 12 2HD ARG 12 -8.313 4.476 4.000
71 HE ARG 12 HE ARG 12 -10.689 5.256 2.592
72 HH11 ARG 12 1HH2 ARG 12 -11.339 7.436 2.750
73 HH12 ARG 12 2HH2 ARG 12 -10.669 8.438 3.992
74 HH21 ARG 12 1HH1 ARG 12 -8.650 5.918 5.335
75 HH22 ARG 12 2HH1 ARG 12 -9.139 7.575 5.462
76 H TRP 13 H TRP 13 -6.416 -0.810 1.775
77 HA TRP 13 HA TRP 13 -7.227 -2.704 3.881
78 HB3 TRP 13 2HB TRP 13 -6.487 -4.358 1.904
79 HD1 TRP 13 HD TRP 13 -9.406 -3.103 0.190
80 HE1 TRP 13 1HE TRP 13 -11.577 -4.121 1.124
81 HE3 TRP 13 3HE TRP 13 -7.586 -5.024 4.565
82 HZ2 TRP 13 2HZ TRP 13 -12.409 -5.551 3.412
83 HZ3 TRP 13 3HZ TRP 13 -9.135 -6.201 6.071
84 HH2 TRP 13 HH TRP 13 -11.497 -6.458 5.504
85 H ARG 14 H ARG 14 -4.648 -2.497 1.423
86 HA ARG 14 HA ARG 14 -2.732 -3.291 3.515
87 HB3 ARG 14 2HB ARG 14 -2.588 -3.704 0.524
88 HG3 ARG 14 2HG ARG 14 -0.649 -4.379 2.709
89 HD3 ARG 14 2HD ARG 14 -0.726 -5.569 -0.060
90 HE ARG 14 HE ARG 14 1.463 -5.302 1.488
91 HH11 ARG 14 1HH2 ARG 14 3.214 -6.762 1.581
92 HH12 ARG 14 2HH2 ARG 14 2.950 -8.433 1.213
93 HH21 ARG 14 1HH1 ARG 14 -0.467 -8.052 0.571
94 HH22 ARG 14 2HH1 ARG 14 0.857 -9.167 0.638
Start of MODEL 12
1 H1 CYS 1 H CYS 1 -0.814 -1.352 4.095
2 HA CYS 1 HA CYS 1 0.226 -0.148 1.624
3 HB3 CYS 1 2HB CYS 1 0.261 1.450 4.149
4 H THR 2 H THR 2 2.346 -0.412 1.377
5 HA THR 2 HA THR 2 3.920 -1.256 3.721
6 HB THR 2 HB THR 2 5.459 -2.342 2.148
7 HG1 THR 2 1HG THR 2 5.338 -1.399 0.221
8 HG21 THR 2 1HG2 THR 2 4.218 -4.229 2.033
9 HG22 THR 2 2HG2 THR 2 2.886 -3.425 1.200
10 HG23 THR 2 3HG2 THR 2 3.050 -3.279 2.949
11 H ALA 3 H ALA 3 6.337 -0.758 3.428
12 HA ALA 3 HA ALA 3 6.559 2.092 2.782
13 HB1 ALA 3 1HB ALA 3 8.385 0.311 4.393
14 HB2 ALA 3 2HB ALA 3 8.601 2.042 4.139
15 HB3 ALA 3 3HB ALA 3 7.203 1.452 5.036
16 H SER 4 H SER 4 6.499 0.300 0.609
17 HA SER 4 HA SER 4 9.061 -0.446 -0.304
18 HB3 SER 4 2HB SER 4 6.683 0.252 -2.038
19 HG SER 4 HG SER 4 7.717 -0.848 -3.534
20 H ILE 5 H ILE 5 9.520 0.546 -2.741
21 HA ILE 5 HA ILE 5 9.496 3.452 -2.649
22 HB ILE 5 HB ILE 5 12.095 1.916 -2.761
23 HG13 ILE 5 2HG1 ILE 5 11.184 2.041 -0.491
24 HG21 ILE 5 1HG2 ILE 5 11.401 4.445 -3.814
25 HG22 ILE 5 2HG2 ILE 5 12.425 4.722 -2.406
26 HG23 ILE 5 3HG2 ILE 5 12.997 3.699 -3.723
27 HD11 ILE 5 1HD1 ILE 5 13.256 4.189 -0.536
28 HD12 ILE 5 2HD1 ILE 5 13.012 2.887 0.630
29 HD13 ILE 5 3HD1 ILE 5 13.674 2.529 -0.965
30 HA PRO 6 HA PRO 6 8.409 4.553 -3.719
31 HB3 PRO 6 2HB PRO 6 7.584 5.477 -5.652
32 HG3 PRO 6 2HG PRO 6 7.351 4.208 -7.587
33 HD3 PRO 6 2HD PRO 6 9.529 3.694 -7.033
34 HA PRO 7 HA PRO 7 5.904 1.908 -1.254
35 HB3 PRO 7 2HB PRO 7 5.638 3.682 0.182
36 HG3 PRO 7 2HG PRO 7 5.407 5.851 -0.622
37 HD3 PRO 7 2HD PRO 7 7.282 5.193 -1.790
38 H ILE 8 H ILE 8 3.704 1.034 -0.978
39 HA ILE 8 HA ILE 8 2.020 1.364 -3.368
40 HB ILE 8 HB ILE 8 2.863 -1.236 -2.091
41 HG13 ILE 8 2HG1 ILE 8 3.357 0.132 -4.704
42 HG21 ILE 8 1HG2 ILE 8 1.347 -2.213 -3.922
43 HG22 ILE 8 2HG2 ILE 8 0.589 -1.583 -2.460
44 HG23 ILE 8 3HG2 ILE 8 0.584 -0.623 -3.940
45 HD11 ILE 8 1HD1 ILE 8 5.279 0.210 -3.458
46 HD12 ILE 8 2HD1 ILE 8 4.985 -1.358 -2.706
47 HD13 ILE 8 3HD1 ILE 8 5.522 -1.272 -4.383
48 H CYS 9 H CYS 9 -0.163 1.314 -3.042
49 HA CYS 9 HA CYS 9 -1.202 0.582 -0.418
50 HB3 CYS 9 2HB CYS 9 -2.492 2.714 -0.276
51 H HIS 10 H HIS 10 -3.022 -0.543 -0.624
52 HA HIS 10 HA HIS 10 -4.434 -0.445 -3.198
53 HB3 HIS 10 2HB HIS 10 -5.409 -2.640 -2.454
54 HD1 HIS 10 1HD HIS 10 -4.302 -3.137 -4.742
55 HD2 HIS 10 2HD HIS 10 -1.662 -3.135 -1.533
56 HE1 HIS 10 1HE HIS 10 -2.187 -4.180 -5.612
57 H DPN 11 H DPN 11 -4.919 1.638 -1.417
58 HA DPN 11 HA DPN 11 -7.766 1.310 -1.023
59 HB2 DPN 11 2HB DPN 11 -6.684 3.379 -2.014
60 HB3 DPN 11 3HB DPN 11 -6.103 3.750 -0.394
61 HD1 DPN 11 1HD DPN 11 -7.357 5.192 0.868
62 HD2 DPN 11 2HD DPN 11 -9.294 2.836 -2.100
63 HE1 DPN 11 1HE DPN 11 -9.487 6.311 1.377
64 HE2 DPN 11 2HE DPN 11 -11.429 3.952 -1.596
65 HZ DPN 11 HZ DPN 11 -11.527 5.692 0.143
66 H ARG 12 H ARG 12 -8.545 0.487 0.793
67 HA ARG 12 HA ARG 12 -7.229 1.195 3.331
68 HB3 ARG 12 2HB ARG 12 -9.379 0.939 4.413
69 HG3 ARG 12 2HG ARG 12 -9.767 2.531 1.886
70 HD3 ARG 12 2HD ARG 12 -11.142 2.550 4.564
71 HE ARG 12 HE ARG 12 -12.031 4.535 2.725
72 HH11 ARG 12 1HH2 ARG 12 -11.745 6.731 3.272
73 HH12 ARG 12 2HH2 ARG 12 -10.619 7.158 4.516
74 HH21 ARG 12 1HH1 ARG 12 -9.654 3.864 5.178
75 HH22 ARG 12 2HH1 ARG 12 -9.429 5.530 5.601
76 H TRP 13 H TRP 13 -6.332 -0.969 1.725
77 HA TRP 13 HA TRP 13 -7.202 -3.297 3.305
78 HB3 TRP 13 2HB TRP 13 -5.975 -4.539 1.350
79 HD1 TRP 13 HD TRP 13 -8.807 -2.232 0.108
80 HE1 TRP 13 1HE TRP 13 -10.933 -3.653 -0.181
81 HE3 TRP 13 3HE TRP 13 -7.095 -6.654 2.021
82 HZ2 TRP 13 2HZ TRP 13 -11.772 -6.299 0.332
83 HZ3 TRP 13 3HZ TRP 13 -8.622 -8.580 2.086
84 HH2 TRP 13 HH TRP 13 -10.913 -8.405 1.259
85 H ARG 14 H ARG 14 -4.287 -2.071 1.648
86 HA ARG 14 HA ARG 14 -2.711 -2.619 4.029
87 HB3 ARG 14 2HB ARG 14 -2.613 -4.736 2.810
88 HG3 ARG 14 2HG ARG 14 -1.532 -3.098 0.530
89 HD3 ARG 14 2HD ARG 14 -0.279 -5.232 1.001
90 HE ARG 14 HE ARG 14 -2.846 -6.381 1.078
91 HH11 ARG 14 1HH2 ARG 14 -3.079 -8.650 1.102
92 HH12 ARG 14 2HH2 ARG 14 -1.773 -9.646 0.553
93 HH21 ARG 14 1HH1 ARG 14 0.337 -6.962 -0.203
94 HH22 ARG 14 2HH1 ARG 14 0.170 -8.687 -0.189
Start of MODEL 13
1 H1 CYS 1 H CYS 1 -0.680 -1.333 4.043
2 HA CYS 1 HA CYS 1 0.270 -0.124 1.541
3 HB3 CYS 1 2HB CYS 1 0.348 1.420 4.121
4 H THR 2 H THR 2 2.328 -0.605 1.190
5 HA THR 2 HA THR 2 3.959 -1.569 3.426
6 HB THR 2 HB THR 2 5.534 -2.176 1.414
7 HG1 THR 2 1HG THR 2 2.989 -2.104 0.131
8 HG21 THR 2 1HG2 THR 2 4.216 -4.313 1.101
9 HG22 THR 2 2HG2 THR 2 2.979 -3.601 2.138
10 HG23 THR 2 3HG2 THR 2 4.601 -3.889 2.769
11 H ALA 3 H ALA 3 6.272 -0.977 3.441
12 HA ALA 3 HA ALA 3 6.561 1.886 2.972
13 HB1 ALA 3 1HB ALA 3 7.144 1.140 5.173
14 HB2 ALA 3 2HB ALA 3 8.248 -0.073 4.520
15 HB3 ALA 3 3HB ALA 3 8.619 1.644 4.347
16 H SER 4 H SER 4 6.539 0.474 0.614
17 HA SER 4 HA SER 4 9.227 -0.122 -0.231
18 HB3 SER 4 2HB SER 4 6.790 0.240 -1.984
19 HG SER 4 HG SER 4 8.577 -1.710 -2.607
20 H ILE 5 H ILE 5 9.565 0.924 -2.661
21 HA ILE 5 HA ILE 5 9.122 3.796 -2.585
22 HB ILE 5 HB ILE 5 11.918 2.654 -2.643
23 HG13 ILE 5 2HG1 ILE 5 10.962 2.659 -0.390
24 HG21 ILE 5 1HG2 ILE 5 12.568 4.541 -3.608
25 HG22 ILE 5 2HG2 ILE 5 10.884 5.047 -3.730
26 HG23 ILE 5 3HG2 ILE 5 11.833 5.481 -2.309
27 HD11 ILE 5 1HD1 ILE 5 12.591 5.097 -0.180
28 HD12 ILE 5 2HD1 ILE 5 12.732 3.554 0.662
29 HD13 ILE 5 3HD1 ILE 5 13.354 3.722 -0.979
30 HA PRO 6 HA PRO 6 7.910 4.726 -3.681
31 HB3 PRO 6 2HB PRO 6 6.991 5.515 -5.633
32 HG3 PRO 6 2HG PRO 6 6.977 4.216 -7.563
33 HD3 PRO 6 2HD PRO 6 9.196 4.023 -6.970
34 HA PRO 7 HA PRO 7 5.758 1.765 -1.241
35 HB3 PRO 7 2HB PRO 7 5.196 3.491 0.167
36 HG3 PRO 7 2HG PRO 7 4.667 5.595 -0.669
37 HD3 PRO 7 2HD PRO 7 6.644 5.212 -1.787
38 H ILE 8 H ILE 8 3.594 0.692 -0.943
39 HA ILE 8 HA ILE 8 1.993 0.694 -3.408
40 HB ILE 8 HB ILE 8 3.140 -1.727 -2.024
41 HG13 ILE 8 2HG1 ILE 8 3.423 -0.469 -4.738
42 HG21 ILE 8 1HG2 ILE 8 0.744 -1.446 -3.759
43 HG22 ILE 8 2HG2 ILE 8 1.774 -2.857 -3.983
44 HG23 ILE 8 3HG2 ILE 8 1.042 -2.541 -2.410
45 HD11 ILE 8 1HD1 ILE 8 5.496 -0.063 -4.104
46 HD12 ILE 8 2HD1 ILE 8 5.112 -0.703 -2.507
47 HD13 ILE 8 3HD1 ILE 8 5.756 -1.772 -3.753
48 H CYS 9 H CYS 9 0.141 1.538 -2.635
49 HA CYS 9 HA CYS 9 -1.053 0.255 -0.265
50 HB3 CYS 9 2HB CYS 9 -2.165 2.312 0.254
51 H HIS 10 H HIS 10 -2.980 -0.707 -0.486
52 HA HIS 10 HA HIS 10 -4.263 -0.582 -3.119
53 HB3 HIS 10 2HB HIS 10 -5.532 -2.620 -2.170
54 HD1 HIS 10 1HD HIS 10 -3.838 -2.131 -4.630
55 HD2 HIS 10 2HD HIS 10 -2.679 -4.652 -1.537
56 HE1 HIS 10 1HE HIS 10 -2.174 -3.720 -5.644
57 H DPN 11 H DPN 11 -4.620 1.596 -1.344
58 HA DPN 11 HA DPN 11 -7.517 1.559 -1.157
59 HB2 DPN 11 2HB DPN 11 -6.506 3.505 -2.179
60 HB3 DPN 11 3HB DPN 11 -5.494 3.772 -0.763
61 HD1 DPN 11 1HD DPN 11 -6.199 5.212 0.902
62 HD2 DPN 11 2HD DPN 11 -9.058 3.604 -1.810
63 HE1 DPN 11 1HE DPN 11 -7.928 6.674 1.865
64 HE2 DPN 11 2HE DPN 11 -10.792 5.063 -0.851
65 HZ DPN 11 HZ DPN 11 -10.229 6.600 0.989
66 H ARG 12 H ARG 12 -8.300 0.617 0.626
67 HA ARG 12 HA ARG 12 -7.206 1.481 3.221
68 HB3 ARG 12 2HB ARG 12 -9.397 1.272 4.162
69 HG3 ARG 12 2HG ARG 12 -10.053 2.486 1.512
70 HD3 ARG 12 2HD ARG 12 -11.242 4.090 2.866
71 HE ARG 12 HE ARG 12 -12.212 1.762 4.219
72 HH11 ARG 12 1HH2 ARG 12 -14.025 0.695 3.342
73 HH12 ARG 12 2HH2 ARG 12 -14.500 1.021 1.710
74 HH21 ARG 12 1HH1 ARG 12 -11.931 3.320 1.119
75 HH22 ARG 12 2HH1 ARG 12 -13.309 2.514 0.443
76 H TRP 13 H TRP 13 -6.398 -0.821 1.527
77 HA TRP 13 HA TRP 13 -7.215 -3.069 3.227
78 HB3 TRP 13 2HB TRP 13 -5.545 -3.356 0.749
79 HD1 TRP 13 HD TRP 13 -4.721 -5.737 1.523
80 HE1 TRP 13 1HE TRP 13 -5.917 -7.991 1.864
81 HE3 TRP 13 3HE TRP 13 -9.564 -4.106 1.413
82 HZ2 TRP 13 2HZ TRP 13 -8.565 -8.949 2.059
83 HZ3 TRP 13 3HZ TRP 13 -11.369 -5.755 1.684
84 HH2 TRP 13 HH TRP 13 -10.878 -8.126 1.999
85 H ARG 14 H ARG 14 -4.212 -2.066 1.574
86 HA ARG 14 HA ARG 14 -2.746 -2.418 4.073
87 HB3 ARG 14 2HB ARG 14 -0.966 -3.650 2.580
88 HG3 ARG 14 2HG ARG 14 -2.138 -5.871 3.011
89 HD3 ARG 14 2HD ARG 14 -1.604 -3.859 5.182
90 HE ARG 14 HE ARG 14 -2.683 -6.492 5.531
91 HH11 ARG 14 1HH2 ARG 14 -2.892 -7.279 7.663
92 HH12 ARG 14 2HH2 ARG 14 -2.038 -6.494 8.947
93 HH21 ARG 14 1HH1 ARG 14 -0.561 -4.087 6.885
94 HH22 ARG 14 2HH1 ARG 14 -0.712 -4.676 8.506
Start of MODEL 14
1 H1 CYS 1 H CYS 1 -0.733 -1.651 3.655
2 HA CYS 1 HA CYS 1 0.260 0.103 1.539
3 HB3 CYS 1 2HB CYS 1 -0.124 1.240 4.293
4 H THR 2 H THR 2 2.332 -0.400 1.349
5 HA THR 2 HA THR 2 3.853 -1.086 3.776
6 HB THR 2 HB THR 2 5.492 -2.126 2.117
7 HG1 THR 2 1HG THR 2 4.981 -2.025 0.073
8 HG21 THR 2 1HG2 THR 2 2.832 -3.500 2.014
9 HG22 THR 2 2HG2 THR 2 3.668 -3.287 3.553
10 HG23 THR 2 3HG2 THR 2 4.437 -4.191 2.250
11 H ALA 3 H ALA 3 6.119 -0.422 3.826
12 HA ALA 3 HA ALA 3 6.405 2.304 2.862
13 HB1 ALA 3 1HB ALA 3 8.049 0.636 4.753
14 HB2 ALA 3 2HB ALA 3 8.472 2.281 4.278
15 HB3 ALA 3 3HB ALA 3 6.971 1.974 5.150
16 H SER 4 H SER 4 6.433 0.760 0.690
17 HA SER 4 HA SER 4 9.115 -0.064 0.002
18 HB3 SER 4 2HB SER 4 6.736 0.201 -1.847
19 HG SER 4 HG SER 4 9.126 -1.324 -1.909
20 H ILE 5 H ILE 5 9.528 0.699 -2.532
21 HA ILE 5 HA ILE 5 9.224 3.581 -2.758
22 HB ILE 5 HB ILE 5 11.958 2.302 -2.640
23 HG13 ILE 5 2HG1 ILE 5 10.978 2.624 -0.422
24 HG21 ILE 5 1HG2 ILE 5 11.163 5.164 -3.159
25 HG22 ILE 5 2HG2 ILE 5 12.812 4.573 -2.968
26 HG23 ILE 5 3HG2 ILE 5 11.840 4.042 -4.339
27 HD11 ILE 5 1HD1 ILE 5 12.847 4.935 -0.752
28 HD12 ILE 5 2HD1 ILE 5 12.657 3.839 0.619
29 HD13 ILE 5 3HD1 ILE 5 13.414 3.268 -0.868
30 HA PRO 6 HA PRO 6 8.066 4.446 -3.961
31 HB3 PRO 6 2HB PRO 6 7.207 5.069 -5.998
32 HG3 PRO 6 2HG PRO 6 7.152 3.580 -7.784
33 HD3 PRO 6 2HD PRO 6 9.353 3.349 -7.141
34 HA PRO 7 HA PRO 7 5.771 1.841 -1.260
35 HB3 PRO 7 2HB PRO 7 5.308 3.721 -0.022
36 HG3 PRO 7 2HG PRO 7 4.895 5.764 -1.051
37 HD3 PRO 7 2HD PRO 7 6.848 5.168 -2.122
38 H ILE 8 H ILE 8 3.902 0.544 -1.070
39 HA ILE 8 HA ILE 8 2.164 0.544 -3.452
40 HB ILE 8 HB ILE 8 3.262 -1.795 -1.901
41 HG13 ILE 8 2HG1 ILE 8 3.580 -0.721 -4.685
42 HG21 ILE 8 1HG2 ILE 8 1.082 -2.493 -2.225
43 HG22 ILE 8 2HG2 ILE 8 0.920 -1.623 -3.750
44 HG23 ILE 8 3HG2 ILE 8 1.884 -3.098 -3.673
45 HD11 ILE 8 1HD1 ILE 8 5.483 -1.764 -2.611
46 HD12 ILE 8 2HD1 ILE 8 5.945 -1.437 -4.283
47 HD13 ILE 8 3HD1 ILE 8 5.365 -0.125 -3.255
48 H CYS 9 H CYS 9 0.344 1.502 -2.722
49 HA CYS 9 HA CYS 9 -0.928 0.321 -0.340
50 HB3 CYS 9 2HB CYS 9 -1.940 2.488 0.138
51 H HIS 10 H HIS 10 -3.005 -0.336 -0.524
52 HA HIS 10 HA HIS 10 -4.366 0.193 -3.084
53 HB3 HIS 10 2HB HIS 10 -5.450 -2.101 -2.672
54 HD1 HIS 10 1HD HIS 10 -4.916 -3.149 -4.832
55 HD2 HIS 10 2HD HIS 10 -1.501 -1.745 -2.927
56 HE1 HIS 10 1HE HIS 10 -3.009 -3.712 -6.371
57 H DPN 11 H DPN 11 -4.913 1.993 -1.278
58 HA DPN 11 HA DPN 11 -7.677 1.615 -0.715
59 HB2 DPN 11 2HB DPN 11 -5.696 3.806 -0.335
60 HB3 DPN 11 3HB DPN 11 -7.172 3.865 0.622
61 HD1 DPN 11 1HD DPN 11 -9.339 3.226 -0.917
62 HD2 DPN 11 2HD DPN 11 -5.735 5.059 -2.242
63 HE1 DPN 11 1HE DPN 11 -10.542 4.200 -2.830
64 HE2 DPN 11 2HE DPN 11 -6.930 6.035 -4.157
65 HZ DPN 11 HZ DPN 11 -9.338 5.604 -4.454
66 H ARG 12 H ARG 12 -8.692 1.057 1.125
67 HA ARG 12 HA ARG 12 -7.232 1.020 3.646
68 HB3 ARG 12 2HB ARG 12 -10.065 0.109 3.409
69 HG3 ARG 12 2HG ARG 12 -8.996 2.080 5.379
70 HD3 ARG 12 2HD ARG 12 -10.670 0.995 6.823
71 HE ARG 12 HE ARG 12 -11.355 2.551 4.584
72 HH11 ARG 12 1HH2 ARG 12 -13.380 3.595 4.492
73 HH12 ARG 12 2HH2 ARG 12 -14.675 3.031 5.491
74 HH21 ARG 12 1HH1 ARG 12 -12.810 0.464 6.960
75 HH22 ARG 12 2HH1 ARG 12 -14.353 1.251 6.897
76 H TRP 13 H TRP 13 -6.166 -0.812 1.957
77 HA TRP 13 HA TRP 13 -7.070 -3.355 3.132
78 HB3 TRP 13 2HB TRP 13 -5.838 -3.348 0.410
79 HD1 TRP 13 HD TRP 13 -5.401 -5.830 1.952
80 HE1 TRP 13 1HE TRP 13 -6.769 -7.989 1.646
81 HE3 TRP 13 3HE TRP 13 -9.588 -3.838 -0.200
82 HZ2 TRP 13 2HZ TRP 13 -9.291 -8.747 0.628
83 HZ3 TRP 13 3HZ TRP 13 -11.433 -5.349 -0.810
84 HH2 TRP 13 HH TRP 13 -11.285 -7.753 -0.404
85 H ARG 14 H ARG 14 -4.363 -1.905 1.311
86 HA ARG 14 HA ARG 14 -2.519 -2.983 3.315
87 HB3 ARG 14 2HB ARG 14 -1.056 -3.944 1.700
88 HG3 ARG 14 2HG ARG 14 -3.821 -4.711 0.792
89 HD3 ARG 14 2HD ARG 14 -2.164 -5.657 -0.644
90 HE ARG 14 HE ARG 14 -0.524 -5.869 1.685
91 HH11 ARG 14 1HH2 ARG 14 1.595 -6.677 1.438
92 HH12 ARG 14 2HH2 ARG 14 2.016 -7.538 -0.003
93 HH21 ARG 14 1HH1 ARG 14 -1.153 -7.243 -1.450
94 HH22 ARG 14 2HH1 ARG 14 0.454 -7.860 -1.648
Start of MODEL 15
1 H1 CYS 1 H CYS 1 -0.969 -1.530 3.784
2 HA CYS 1 HA CYS 1 -0.046 0.077 1.505
3 HB3 CYS 1 2HB CYS 1 -0.174 1.302 4.238
4 H THR 2 H THR 2 2.061 -0.153 1.203
5 HA THR 2 HA THR 2 3.732 -0.947 3.499
6 HB THR 2 HB THR 2 5.158 -2.179 2.037
7 HG1 THR 2 1HG THR 2 5.269 -1.762 -0.041
8 HG21 THR 2 1HG2 THR 2 2.460 -2.818 2.387
9 HG22 THR 2 2HG2 THR 2 3.768 -3.923 1.964
10 HG23 THR 2 3HG2 THR 2 2.803 -3.171 0.693
11 H ALA 3 H ALA 3 6.023 -0.274 3.347
12 HA ALA 3 HA ALA 3 6.196 2.456 2.275
13 HB1 ALA 3 1HB ALA 3 8.118 2.684 3.867
14 HB2 ALA 3 2HB ALA 3 6.551 2.405 4.629
15 HB3 ALA 3 3HB ALA 3 7.710 1.083 4.488
16 H SER 4 H SER 4 6.491 0.614 0.334
17 HA SER 4 HA SER 4 9.214 -0.201 -0.023
18 HB3 SER 4 2HB SER 4 7.734 -1.607 -1.139
19 HG SER 4 HG SER 4 6.406 0.356 -2.587
20 H ILE 5 H ILE 5 10.009 0.381 -2.475
21 HA ILE 5 HA ILE 5 9.880 3.298 -2.782
22 HB ILE 5 HB ILE 5 11.913 3.023 -1.593
23 HG13 ILE 5 2HG1 ILE 5 11.893 4.352 -3.815
24 HG21 ILE 5 1HG2 ILE 5 12.761 0.897 -3.550
25 HG22 ILE 5 2HG2 ILE 5 13.593 1.401 -2.079
26 HG23 ILE 5 3HG2 ILE 5 12.050 0.555 -1.975
27 HD11 ILE 5 1HD1 ILE 5 13.639 5.244 -2.776
28 HD12 ILE 5 2HD1 ILE 5 14.112 3.694 -2.075
29 HD13 ILE 5 3HD1 ILE 5 14.635 4.122 -3.705
30 HA PRO 6 HA PRO 6 8.763 4.295 -3.922
31 HB3 PRO 6 2HB PRO 6 7.894 5.041 -5.915
32 HG3 PRO 6 2HG PRO 6 7.601 3.594 -7.711
33 HD3 PRO 6 2HD PRO 6 9.787 3.110 -7.165
34 HA PRO 7 HA PRO 7 6.219 1.995 -1.172
35 HB3 PRO 7 2HB PRO 7 5.838 3.949 -0.027
36 HG3 PRO 7 2HG PRO 7 5.544 5.963 -1.153
37 HD3 PRO 7 2HD PRO 7 7.478 5.220 -2.165
38 H ILE 8 H ILE 8 3.738 1.536 -0.733
39 HA ILE 8 HA ILE 8 2.218 1.290 -3.206
40 HB ILE 8 HB ILE 8 3.046 -1.097 -1.555
41 HG13 ILE 8 2HG1 ILE 8 4.030 -1.912 -3.614
42 HG21 ILE 8 1HG2 ILE 8 0.740 -1.390 -2.044
43 HG22 ILE 8 2HG2 ILE 8 0.956 -0.840 -3.704
44 HG23 ILE 8 3HG2 ILE 8 1.640 -2.382 -3.189
45 HD11 ILE 8 1HD1 ILE 8 4.177 -0.524 -5.619
46 HD12 ILE 8 2HD1 ILE 8 2.514 -0.992 -5.262
47 HD13 ILE 8 3HD1 ILE 8 3.073 0.639 -4.889
48 H CYS 9 H CYS 9 0.031 1.241 -2.906
49 HA CYS 9 HA CYS 9 -1.057 0.808 -0.242
50 HB3 CYS 9 2HB CYS 9 -2.400 2.991 -0.519
51 H HIS 10 H HIS 10 -3.070 -0.040 -0.280
52 HA HIS 10 HA HIS 10 -4.506 -0.046 -2.850
53 HB3 HIS 10 2HB HIS 10 -5.193 -2.379 -2.403
54 HD1 HIS 10 1HD HIS 10 -3.432 -1.325 -4.544
55 HD2 HIS 10 2HD HIS 10 -2.003 -3.853 -1.573
56 HE1 HIS 10 1HE HIS 10 -1.357 -2.376 -5.497
57 H DPN 11 H DPN 11 -5.320 1.858 -1.350
58 HA DPN 11 HA DPN 11 -7.976 1.284 -0.681
59 HB2 DPN 11 2HB DPN 11 -6.871 3.549 -1.254
60 HB3 DPN 11 3HB DPN 11 -6.483 3.632 0.462
61 HD1 DPN 11 1HD DPN 11 -7.897 4.963 1.666
62 HD2 DPN 11 2HD DPN 11 -9.471 2.698 -1.575
63 HE1 DPN 11 1HE DPN 11 -10.138 5.866 2.128
64 HE2 DPN 11 2HE DPN 11 -11.716 3.598 -1.119
65 HZ DPN 11 HZ DPN 11 -12.051 5.184 0.734
66 H ARG 12 H ARG 12 -8.984 0.706 1.159
67 HA ARG 12 HA ARG 12 -7.551 0.796 3.697
68 HB3 ARG 12 2HB ARG 12 -10.326 -0.276 3.462
69 HG3 ARG 12 2HG ARG 12 -9.204 1.739 5.388
70 HD3 ARG 12 2HD ARG 12 -11.058 0.818 6.808
71 HE ARG 12 HE ARG 12 -12.478 1.929 4.576
72 HH11 ARG 12 1HH2 ARG 12 -13.003 4.147 4.657
73 HH12 ARG 12 2HH2 ARG 12 -12.209 5.168 5.806
74 HH21 ARG 12 1HH1 ARG 12 -10.249 2.609 7.161
75 HH22 ARG 12 2HH1 ARG 12 -10.642 4.295 7.231
76 H TRP 13 H TRP 13 -6.417 -1.017 1.986
77 HA TRP 13 HA TRP 13 -7.207 -3.587 3.190
78 HB3 TRP 13 2HB TRP 13 -5.842 -3.573 0.543
79 HD1 TRP 13 HD TRP 13 -9.302 -5.014 1.382
80 HE1 TRP 13 1HE TRP 13 -9.151 -7.583 1.319
81 HE3 TRP 13 3HE TRP 13 -4.252 -5.514 0.760
82 HZ2 TRP 13 2HZ TRP 13 -7.155 -9.559 1.042
83 HZ3 TRP 13 3HZ TRP 13 -3.301 -7.778 0.606
84 HH2 TRP 13 HH TRP 13 -4.724 -9.757 0.744
85 H ARG 14 H ARG 14 -4.483 -2.156 1.375
86 HA ARG 14 HA ARG 14 -2.680 -2.954 3.535
87 HB3 ARG 14 2HB ARG 14 -1.092 -3.654 1.525
88 HG3 ARG 14 2HG ARG 14 -2.228 -6.018 1.646
89 HD3 ARG 14 2HD ARG 14 -0.836 -4.543 3.860
90 HE ARG 14 HE ARG 14 -1.511 -6.295 5.175
91 HH11 ARG 14 1HH2 ARG 14 -1.633 -8.486 5.798
92 HH12 ARG 14 2HH2 ARG 14 -1.292 -9.722 4.635
93 HH21 ARG 14 1HH1 ARG 14 -0.629 -7.489 2.027
94 HH22 ARG 14 2HH1 ARG 14 -0.719 -9.156 2.490
Start of MODEL 16
1 H1 CYS 1 H CYS 1 -1.339 -1.187 3.649
2 HA CYS 1 HA CYS 1 0.140 0.063 1.427
3 HB3 CYS 1 2HB CYS 1 -0.578 1.574 3.915
4 H THR 2 H THR 2 2.271 -0.086 1.576
5 HA THR 2 HA THR 2 3.503 -0.251 4.243
6 HB THR 2 HB THR 2 4.999 -1.969 3.588
7 HG1 THR 2 1HG THR 2 5.519 -2.286 1.559
8 HG21 THR 2 1HG2 THR 2 3.568 -3.760 3.486
9 HG22 THR 2 2HG2 THR 2 2.554 -3.017 2.248
10 HG23 THR 2 3HG2 THR 2 2.428 -2.490 3.927
11 H ALA 3 H ALA 3 5.878 0.214 4.173
12 HA ALA 3 HA ALA 3 6.318 2.613 2.632
13 HB1 ALA 3 1HB ALA 3 7.053 2.727 4.869
14 HB2 ALA 3 2HB ALA 3 7.922 1.197 4.743
15 HB3 ALA 3 3HB ALA 3 8.517 2.621 3.891
16 H SER 4 H SER 4 6.135 1.086 0.638
17 HA SER 4 HA SER 4 8.615 -0.286 -0.000
18 HB3 SER 4 2HB SER 4 6.120 0.110 -1.672
19 HG SER 4 HG SER 4 7.005 -1.610 -2.883
20 H ILE 5 H ILE 5 9.316 0.099 -2.426
21 HA ILE 5 HA ILE 5 9.415 2.990 -2.953
22 HB ILE 5 HB ILE 5 11.805 1.146 -3.087
23 HG13 ILE 5 2HG1 ILE 5 11.070 1.723 -0.770
24 HG21 ILE 5 1HG2 ILE 5 11.629 4.128 -3.496
25 HG22 ILE 5 2HG2 ILE 5 13.081 3.133 -3.610
26 HG23 ILE 5 3HG2 ILE 5 11.781 2.933 -4.785
27 HD11 ILE 5 1HD1 ILE 5 13.372 3.308 -0.560
28 HD12 ILE 5 2HD1 ILE 5 13.214 1.577 -0.262
29 HD13 ILE 5 3HD1 ILE 5 13.673 2.158 -1.862
30 HA PRO 6 HA PRO 6 8.307 4.016 -4.075
31 HB3 PRO 6 2HB PRO 6 7.353 4.713 -6.045
32 HG3 PRO 6 2HG PRO 6 6.778 3.190 -7.706
33 HD3 PRO 6 2HD PRO 6 8.947 2.527 -7.292
34 HA PRO 7 HA PRO 7 5.819 2.136 -0.975
35 HB3 PRO 7 2HB PRO 7 5.782 4.169 0.094
36 HG3 PRO 7 2HG PRO 7 5.616 6.153 -1.109
37 HD3 PRO 7 2HD PRO 7 7.342 5.140 -2.252
38 H ILE 8 H ILE 8 4.308 0.618 -1.171
39 HA ILE 8 HA ILE 8 2.336 0.742 -3.264
40 HB ILE 8 HB ILE 8 3.372 -1.391 -2.769
41 HG13 ILE 8 2HG1 ILE 8 0.446 -1.308 -1.998
42 HG21 ILE 8 1HG2 ILE 8 2.050 -1.998 -0.278
43 HG22 ILE 8 2HG2 ILE 8 3.753 -2.137 -0.710
44 HG23 ILE 8 3HG2 ILE 8 3.118 -0.605 -0.111
45 HD11 ILE 8 1HD1 ILE 8 -0.005 -0.920 -4.122
46 HD12 ILE 8 2HD1 ILE 8 1.720 -0.831 -4.484
47 HD13 ILE 8 3HD1 ILE 8 0.878 -2.377 -4.577
48 H CYS 9 H CYS 9 0.171 1.064 -3.085
49 HA CYS 9 HA CYS 9 -1.078 1.244 -0.469
50 HB3 CYS 9 2HB CYS 9 -1.977 3.566 -1.785
51 H HIS 10 H HIS 10 -2.812 0.005 -0.701
52 HA HIS 10 HA HIS 10 -4.319 0.151 -3.228
53 HB3 HIS 10 2HB HIS 10 -5.220 -2.141 -2.372
54 HD1 HIS 10 1HD HIS 10 -4.170 -1.209 -5.013
55 HD2 HIS 10 2HD HIS 10 -2.021 -3.761 -2.536
56 HE1 HIS 10 1HE HIS 10 -2.555 -2.407 -6.522
57 H DPN 11 H DPN 11 -4.561 1.871 -0.830
58 HA DPN 11 HA DPN 11 -7.438 1.577 -0.493
59 HB2 DPN 11 2HB DPN 11 -6.095 3.774 -1.033
60 HB3 DPN 11 3HB DPN 11 -5.869 3.821 0.713
61 HD1 DPN 11 1HD DPN 11 -7.284 5.301 1.730
62 HD2 DPN 11 2HD DPN 11 -8.726 3.005 -1.550
63 HE1 DPN 11 1HE DPN 11 -9.504 6.330 1.990
64 HE2 DPN 11 2HE DPN 11 -10.947 4.030 -1.296
65 HZ DPN 11 HZ DPN 11 -11.339 5.694 0.476
66 H ARG 12 H ARG 12 -8.240 0.528 1.190
67 HA ARG 12 HA ARG 12 -6.842 0.705 3.770
68 HB3 ARG 12 2HB ARG 12 -8.965 0.207 4.818
69 HG3 ARG 12 2HG ARG 12 -10.358 2.010 3.218
70 HD3 ARG 12 2HD ARG 12 -8.663 2.188 5.670
71 HE ARG 12 HE ARG 12 -10.071 4.605 5.159
72 HH11 ARG 12 1HH2 ARG 12 -8.875 6.520 4.827
73 HH12 ARG 12 2HH2 ARG 12 -7.194 6.416 4.428
74 HH21 ARG 12 1HH1 ARG 12 -7.101 2.920 4.483
75 HH22 ARG 12 2HH1 ARG 12 -6.183 4.369 4.231
76 H TRP 13 H TRP 13 -6.231 -1.160 1.534
77 HA TRP 13 HA TRP 13 -6.896 -3.730 2.789
78 HB3 TRP 13 2HB TRP 13 -5.732 -4.496 0.509
79 HD1 TRP 13 HD TRP 13 -8.818 -2.479 -0.383
80 HE1 TRP 13 1HE TRP 13 -10.846 -4.057 -0.518
81 HE3 TRP 13 3HE TRP 13 -6.683 -6.710 1.534
82 HZ2 TRP 13 2HZ TRP 13 -11.460 -6.742 0.106
83 HZ3 TRP 13 3HZ TRP 13 -8.059 -8.740 1.732
84 HH2 TRP 13 HH TRP 13 -10.398 -8.752 1.034
85 H ARG 14 H ARG 14 -4.110 -2.224 1.140
86 HA ARG 14 HA ARG 14 -2.350 -3.071 3.277
87 HB3 ARG 14 2HB ARG 14 -0.792 -4.191 1.616
88 HG3 ARG 14 2HG ARG 14 -3.303 -5.779 1.654
89 HD3 ARG 14 2HD ARG 14 -1.025 -6.622 0.914
90 HE ARG 14 HE ARG 14 0.630 -6.235 2.434
91 HH11 ARG 14 1HH2 ARG 14 1.675 -6.327 4.459
92 HH12 ARG 14 2HH2 ARG 14 0.772 -6.786 5.864
93 HH21 ARG 14 1HH1 ARG 14 -2.239 -7.226 4.139
94 HH22 ARG 14 2HH1 ARG 14 -1.453 -7.299 5.682
Start of MODEL 17
1 H1 CYS 1 H CYS 1 -0.962 -1.548 4.140
2 HA CYS 1 HA CYS 1 0.066 -0.512 1.588
3 HB3 CYS 1 2HB CYS 1 0.332 1.129 4.080
4 H THR 2 H THR 2 2.358 -0.021 1.604
5 HA THR 2 HA THR 2 3.864 -1.357 3.746
6 HB THR 2 HB THR 2 5.373 -2.375 2.112
7 HG1 THR 2 1HG THR 2 5.232 -1.926 0.032
8 HG21 THR 2 1HG2 THR 2 2.937 -3.427 0.953
9 HG22 THR 2 2HG2 THR 2 2.776 -3.194 2.692
10 HG23 THR 2 3HG2 THR 2 4.079 -4.195 2.054
11 H ALA 3 H ALA 3 6.367 -0.962 3.162
12 HA ALA 3 HA ALA 3 6.613 1.946 2.764
13 HB1 ALA 3 1HB ALA 3 8.323 0.071 4.392
14 HB2 ALA 3 2HB ALA 3 8.664 1.783 4.139
15 HB3 ALA 3 3HB ALA 3 7.209 1.294 5.004
16 H SER 4 H SER 4 6.536 0.615 0.453
17 HA SER 4 HA SER 4 9.155 -0.235 -0.396
18 HB3 SER 4 2HB SER 4 6.732 0.351 -2.113
19 HG SER 4 HG SER 4 8.805 -1.513 -2.575
20 H ILE 5 H ILE 5 9.711 0.768 -2.748
21 HA ILE 5 HA ILE 5 9.519 3.681 -2.661
22 HB ILE 5 HB ILE 5 12.166 2.229 -2.763
23 HG13 ILE 5 2HG1 ILE 5 10.699 3.728 -0.641
24 HG21 ILE 5 1HG2 ILE 5 13.022 4.646 -2.652
25 HG22 ILE 5 2HG2 ILE 5 12.420 4.050 -4.197
26 HG23 ILE 5 3HG2 ILE 5 11.408 5.095 -3.201
27 HD11 ILE 5 1HD1 ILE 5 11.963 1.158 -0.914
28 HD12 ILE 5 2HD1 ILE 5 12.589 2.037 0.481
29 HD13 ILE 5 3HD1 ILE 5 10.856 1.746 0.326
30 HA PRO 6 HA PRO 6 8.393 4.753 -3.719
31 HB3 PRO 6 2HB PRO 6 7.533 5.669 -5.644
32 HG3 PRO 6 2HG PRO 6 7.351 4.413 -7.593
33 HD3 PRO 6 2HD PRO 6 9.545 3.975 -7.041
34 HA PRO 7 HA PRO 7 5.978 1.995 -1.288
35 HB3 PRO 7 2HB PRO 7 5.631 3.745 0.158
36 HG3 PRO 7 2HG PRO 7 5.317 5.910 -0.631
37 HD3 PRO 7 2HD PRO 7 7.224 5.336 -1.794
38 H ILE 8 H ILE 8 3.885 0.949 -1.082
39 HA ILE 8 HA ILE 8 2.167 1.261 -3.453
40 HB ILE 8 HB ILE 8 3.192 -1.300 -2.243
41 HG13 ILE 8 2HG1 ILE 8 3.465 0.121 -4.859
42 HG21 ILE 8 1HG2 ILE 8 0.759 -0.800 -3.899
43 HG22 ILE 8 2HG2 ILE 8 1.652 -2.309 -4.081
44 HG23 ILE 8 3HG2 ILE 8 0.973 -1.871 -2.514
45 HD11 ILE 8 1HD1 ILE 8 5.307 -1.346 -3.016
46 HD12 ILE 8 2HD1 ILE 8 5.746 -1.024 -4.693
47 HD13 ILE 8 3HD1 ILE 8 5.406 0.316 -3.599
48 H CYS 9 H CYS 9 -0.006 1.127 -3.127
49 HA CYS 9 HA CYS 9 -1.018 0.264 -0.529
50 HB3 CYS 9 2HB CYS 9 -2.390 2.332 -0.311
51 H HIS 10 H HIS 10 -3.056 -0.577 -0.601
52 HA HIS 10 HA HIS 10 -4.323 -0.667 -3.258
53 HB3 HIS 10 2HB HIS 10 -5.370 -2.791 -2.464
54 HD1 HIS 10 1HD HIS 10 -3.692 -2.697 -4.725
55 HD2 HIS 10 2HD HIS 10 -2.136 -4.075 -1.126
56 HE1 HIS 10 1HE HIS 10 -1.651 -4.032 -5.341
57 H DPN 11 H DPN 11 -4.673 1.389 -1.159
58 HA DPN 11 HA DPN 11 -7.590 1.229 -1.002
59 HB2 DPN 11 2HB DPN 11 -6.589 3.229 -2.050
60 HB3 DPN 11 3HB DPN 11 -5.752 3.590 -0.544
61 HD1 DPN 11 1HD DPN 11 -6.706 5.126 0.864
62 HD2 DPN 11 2HD DPN 11 -9.211 2.915 -1.772
63 HE1 DPN 11 1HE DPN 11 -8.654 6.418 1.636
64 HE2 DPN 11 2HE DPN 11 -11.162 4.201 -1.004
65 HZ DPN 11 HZ DPN 11 -10.884 5.956 0.703
66 H ARG 12 H ARG 12 -8.635 0.923 0.856
67 HA ARG 12 HA ARG 12 -7.298 1.538 3.385
68 HB3 ARG 12 2HB ARG 12 -10.098 0.566 3.359
69 HG3 ARG 12 2HG ARG 12 -8.840 2.979 4.647
70 HD3 ARG 12 2HD ARG 12 -11.537 1.696 4.774
71 HE ARG 12 HE ARG 12 -10.296 2.169 7.116
72 HH11 ARG 12 1HH2 ARG 12 -11.290 2.910 9.030
73 HH12 ARG 12 2HH2 ARG 12 -12.729 3.867 8.928
74 HH21 ARG 12 1HH1 ARG 12 -12.861 3.815 5.433
75 HH22 ARG 12 2HH1 ARG 12 -13.623 4.383 6.882
76 H TRP 13 H TRP 13 -6.627 -0.811 1.731
77 HA TRP 13 HA TRP 13 -7.530 -2.998 3.470
78 HB3 TRP 13 2HB TRP 13 -6.250 -4.337 1.575
79 HD1 TRP 13 HD TRP 13 -8.295 -5.933 1.956
80 HE1 TRP 13 1HE TRP 13 -10.723 -5.945 1.100
81 HE3 TRP 13 3HE TRP 13 -8.495 -1.206 0.022
82 HZ2 TRP 13 2HZ TRP 13 -12.488 -4.183 -0.221
83 HZ3 TRP 13 3HZ TRP 13 -10.591 -0.445 -1.021
84 HH2 TRP 13 HH TRP 13 -12.544 -1.905 -1.139
85 H ARG 14 H ARG 14 -4.517 -2.243 1.711
86 HA ARG 14 HA ARG 14 -3.011 -2.606 4.190
87 HB3 ARG 14 2HB ARG 14 -1.342 -3.980 2.724
88 HG3 ARG 14 2HG ARG 14 -2.654 -6.114 3.149
89 HD3 ARG 14 2HD ARG 14 -2.358 -4.253 5.500
90 HE ARG 14 HE ARG 14 -3.005 -6.951 5.452
91 HH11 ARG 14 1HH2 ARG 14 -2.696 -8.295 7.269
92 HH12 ARG 14 2HH2 ARG 14 -1.537 -7.844 8.474
93 HH21 ARG 14 1HH1 ARG 14 -0.572 -4.897 6.861
94 HH22 ARG 14 2HH1 ARG 14 -0.330 -5.911 8.243
Start of MODEL 18
1 H1 CYS 1 H CYS 1 -0.948 -1.208 4.110
2 HA CYS 1 HA CYS 1 0.069 0.169 1.710
3 HB3 CYS 1 2HB CYS 1 0.641 2.072 3.239
4 H THR 2 H THR 2 2.092 -0.343 1.242
5 HA THR 2 HA THR 2 3.799 -1.467 3.348
6 HB THR 2 HB THR 2 5.268 -2.029 1.256
7 HG1 THR 2 1HG THR 2 4.330 -1.295 -0.503
8 HG21 THR 2 1HG2 THR 2 2.666 -3.520 1.544
9 HG22 THR 2 2HG2 THR 2 3.946 -3.601 2.756
10 HG23 THR 2 3HG2 THR 2 4.251 -4.160 1.111
11 H ALA 3 H ALA 3 6.100 -0.898 3.324
12 HA ALA 3 HA ALA 3 6.429 1.972 2.888
13 HB1 ALA 3 1HB ALA 3 8.079 -0.021 4.430
14 HB2 ALA 3 2HB ALA 3 8.486 1.687 4.258
15 HB3 ALA 3 3HB ALA 3 7.003 1.213 5.086
16 H SER 4 H SER 4 6.402 0.353 0.570
17 HA SER 4 HA SER 4 9.060 -0.232 -0.290
18 HB3 SER 4 2HB SER 4 6.619 0.209 -2.022
19 HG SER 4 HG SER 4 8.870 -1.467 -2.422
20 H ILE 5 H ILE 5 9.555 0.798 -2.650
21 HA ILE 5 HA ILE 5 9.190 3.692 -2.575
22 HB ILE 5 HB ILE 5 11.920 2.399 -2.633
23 HG13 ILE 5 2HG1 ILE 5 12.313 3.538 -0.536
24 HG21 ILE 5 1HG2 ILE 5 10.955 5.000 -3.534
25 HG22 ILE 5 2HG2 ILE 5 12.290 5.105 -2.387
26 HG23 ILE 5 3HG2 ILE 5 12.476 4.174 -3.873
27 HD11 ILE 5 1HD1 ILE 5 9.550 4.664 -0.881
28 HD12 ILE 5 2HD1 ILE 5 10.410 4.633 0.659
29 HD13 ILE 5 3HD1 ILE 5 11.067 5.544 -0.699
30 HA PRO 6 HA PRO 6 8.015 4.689 -3.650
31 HB3 PRO 6 2HB PRO 6 7.120 5.544 -5.586
32 HG3 PRO 6 2HG PRO 6 7.029 4.269 -7.530
33 HD3 PRO 6 2HD PRO 6 9.241 3.963 -6.957
34 HA PRO 7 HA PRO 7 5.746 1.807 -1.224
35 HB3 PRO 7 2HB PRO 7 5.283 3.541 0.210
36 HG3 PRO 7 2HG PRO 7 4.848 5.679 -0.595
37 HD3 PRO 7 2HD PRO 7 6.795 5.214 -1.738
38 H ILE 8 H ILE 8 3.869 0.498 -1.144
39 HA ILE 8 HA ILE 8 2.109 0.738 -3.497
40 HB ILE 8 HB ILE 8 3.292 -1.734 -2.252
41 HG13 ILE 8 2HG1 ILE 8 3.445 -0.365 -4.915
42 HG21 ILE 8 1HG2 ILE 8 0.895 -1.459 -4.035
43 HG22 ILE 8 2HG2 ILE 8 1.855 -2.938 -3.986
44 HG23 ILE 8 3HG2 ILE 8 1.051 -2.360 -2.527
45 HD11 ILE 8 1HD1 ILE 8 5.301 0.083 -3.508
46 HD12 ILE 8 2HD1 ILE 8 5.473 -1.622 -3.092
47 HD13 ILE 8 3HD1 ILE 8 5.830 -1.073 -4.730
48 H CYS 9 H CYS 9 0.308 1.610 -2.615
49 HA CYS 9 HA CYS 9 -0.833 0.292 -0.243
50 HB3 CYS 9 2HB CYS 9 -1.717 2.964 -1.306
51 H HIS 10 H HIS 10 -2.904 -0.489 -0.273
52 HA HIS 10 HA HIS 10 -4.165 -0.641 -2.927
53 HB3 HIS 10 2HB HIS 10 -5.428 -2.598 -1.758
54 HD1 HIS 10 1HD HIS 10 -4.927 -3.780 -3.924
55 HD2 HIS 10 2HD HIS 10 -1.524 -3.100 -1.640
56 HE1 HIS 10 1HE HIS 10 -3.087 -5.063 -5.060
57 H DPN 11 H DPN 11 -4.480 1.629 -1.181
58 HA DPN 11 HA DPN 11 -7.369 1.688 -1.100
59 HB2 DPN 11 2HB DPN 11 -5.183 3.703 -0.909
60 HB3 DPN 11 3HB DPN 11 -6.739 4.112 -0.196
61 HD1 DPN 11 1HD DPN 11 -8.784 4.084 -1.646
62 HD2 DPN 11 2HD DPN 11 -4.843 3.794 -3.227
63 HE1 DPN 11 1HE DPN 11 -9.630 4.732 -3.862
64 HE2 DPN 11 2HE DPN 11 -5.683 4.441 -5.447
65 HZ DPN 11 HZ DPN 11 -8.079 4.912 -5.768
66 H ARG 12 H ARG 12 -8.124 0.527 0.606
67 HA ARG 12 HA ARG 12 -7.212 1.359 3.284
68 HB3 ARG 12 2HB ARG 12 -9.474 1.046 4.096
69 HG3 ARG 12 2HG ARG 12 -10.599 2.537 2.048
70 HD3 ARG 12 2HD ARG 12 -8.932 3.912 4.080
71 HE ARG 12 HE ARG 12 -11.389 4.448 2.760
72 HH11 ARG 12 1HH2 ARG 12 -12.514 6.365 3.268
73 HH12 ARG 12 2HH2 ARG 12 -12.145 7.207 4.734
74 HH21 ARG 12 1HH1 ARG 12 -9.686 4.941 5.755
75 HH22 ARG 12 2HH1 ARG 12 -10.535 6.399 6.150
76 H TRP 13 H TRP 13 -6.332 -0.891 1.550
77 HA TRP 13 HA TRP 13 -7.190 -3.166 3.207
78 HB3 TRP 13 2HB TRP 13 -5.988 -4.473 1.297
79 HD1 TRP 13 HD TRP 13 -8.779 -2.013 0.195
80 HE1 TRP 13 1HE TRP 13 -10.918 -3.383 -0.226
81 HE3 TRP 13 3HE TRP 13 -7.085 -6.622 1.619
82 HZ2 TRP 13 2HZ TRP 13 -11.773 -6.061 0.015
83 HZ3 TRP 13 3HZ TRP 13 -8.627 -8.535 1.494
84 HH2 TRP 13 HH TRP 13 -10.922 -8.259 0.709
85 H ARG 14 H ARG 14 -4.242 -2.076 1.509
86 HA ARG 14 HA ARG 14 -2.693 -2.579 3.927
87 HB3 ARG 14 2HB ARG 14 -2.683 -4.691 2.588
88 HG3 ARG 14 2HG ARG 14 -0.944 -3.235 0.626
89 HD3 ARG 14 2HD ARG 14 -1.107 -5.214 -0.666
90 HE ARG 14 HE ARG 14 0.016 -5.406 1.820
91 HH11 ARG 14 1HH2 ARG 14 1.204 -7.217 2.539
92 HH12 ARG 14 2HH2 ARG 14 0.906 -8.767 1.827
93 HH21 ARG 14 1HH1 ARG 14 -1.564 -7.613 -0.361
94 HH22 ARG 14 2HH1 ARG 14 -0.667 -8.992 0.177
Start of MODEL 19
1 H1 CYS 1 H CYS 1 -1.153 -1.406 3.669
2 HA CYS 1 HA CYS 1 0.175 -0.057 1.414
3 HB3 CYS 1 2HB CYS 1 -0.617 1.294 3.999
4 H THR 2 H THR 2 2.339 0.133 1.552
5 HA THR 2 HA THR 2 3.647 -0.383 4.127
6 HB THR 2 HB THR 2 5.205 -1.946 3.201
7 HG1 THR 2 1HG THR 2 3.904 -1.458 0.709
8 HG21 THR 2 1HG2 THR 2 3.837 -3.762 3.141
9 HG22 THR 2 2HG2 THR 2 2.749 -3.040 1.954
10 HG23 THR 2 3HG2 THR 2 2.639 -2.573 3.652
11 H ALA 3 H ALA 3 6.061 0.072 3.959
12 HA ALA 3 HA ALA 3 6.384 2.643 2.635
13 HB1 ALA 3 1HB ALA 3 7.030 2.048 5.083
14 HB2 ALA 3 2HB ALA 3 8.490 1.387 4.342
15 HB3 ALA 3 3HB ALA 3 8.085 3.091 4.128
16 H SER 4 H SER 4 6.264 0.708 0.745
17 HA SER 4 HA SER 4 8.751 -0.445 0.046
18 HB3 SER 4 2HB SER 4 6.516 0.255 -1.863
19 HG SER 4 HG SER 4 7.597 -0.975 -3.169
20 H ILE 5 H ILE 5 9.349 0.157 -2.495
21 HA ILE 5 HA ILE 5 9.641 3.033 -2.791
22 HB ILE 5 HB ILE 5 12.057 1.232 -2.578
23 HG13 ILE 5 2HG1 ILE 5 11.124 1.810 -0.393
24 HG21 ILE 5 1HG2 ILE 5 13.360 3.273 -2.943
25 HG22 ILE 5 2HG2 ILE 5 12.327 2.907 -4.323
26 HG23 ILE 5 3HG2 ILE 5 11.868 4.179 -3.192
27 HD11 ILE 5 1HD1 ILE 5 13.651 1.947 -0.807
28 HD12 ILE 5 2HD1 ILE 5 13.420 3.694 -0.726
29 HD13 ILE 5 3HD1 ILE 5 12.997 2.683 0.656
30 HA PRO 6 HA PRO 6 8.709 4.085 -4.039
31 HB3 PRO 6 2HB PRO 6 8.032 4.816 -6.109
32 HG3 PRO 6 2HG PRO 6 7.708 3.323 -7.863
33 HD3 PRO 6 2HD PRO 6 9.803 2.665 -7.164
34 HA PRO 7 HA PRO 7 5.888 2.066 -1.334
35 HB3 PRO 7 2HB PRO 7 5.815 4.026 -0.134
36 HG3 PRO 7 2HG PRO 7 5.856 6.090 -1.204
37 HD3 PRO 7 2HD PRO 7 7.653 5.076 -2.231
38 H ILE 8 H ILE 8 3.841 1.119 -1.205
39 HA ILE 8 HA ILE 8 2.035 1.612 -3.477
40 HB ILE 8 HB ILE 8 2.954 -1.053 -2.415
41 HG13 ILE 8 2HG1 ILE 8 3.234 0.466 -4.970
42 HG21 ILE 8 1HG2 ILE 8 0.485 -0.327 -3.919
43 HG22 ILE 8 2HG2 ILE 8 1.280 -1.864 -4.252
44 HG23 ILE 8 3HG2 ILE 8 0.710 -1.503 -2.624
45 HD11 ILE 8 1HD1 ILE 8 5.038 -0.159 -3.093
46 HD12 ILE 8 2HD1 ILE 8 5.192 -1.566 -4.144
47 HD13 ILE 8 3HD1 ILE 8 5.433 0.054 -4.797
48 H CYS 9 H CYS 9 -0.125 1.578 -3.042
49 HA CYS 9 HA CYS 9 -1.051 0.671 -0.431
50 HB3 CYS 9 2HB CYS 9 -2.298 2.817 -0.084
51 H HIS 10 H HIS 10 -3.010 -0.252 -0.530
52 HA HIS 10 HA HIS 10 -4.529 0.057 -3.035
53 HB3 HIS 10 2HB HIS 10 -5.506 -2.211 -2.381
54 HD1 HIS 10 1HD HIS 10 -4.569 -1.893 -4.936
55 HD2 HIS 10 2HD HIS 10 -1.907 -3.348 -2.099
56 HE1 HIS 10 1HE HIS 10 -2.709 -2.965 -6.246
57 H DPN 11 H DPN 11 -4.752 1.812 -0.752
58 HA DPN 11 HA DPN 11 -7.608 1.677 -0.410
59 HB2 DPN 11 2HB DPN 11 -6.091 3.784 -0.706
60 HB3 DPN 11 3HB DPN 11 -5.850 3.636 1.031
61 HD1 DPN 11 1HD DPN 11 -8.217 3.159 2.301
62 HD2 DPN 11 2HD DPN 11 -7.682 5.287 -1.347
63 HE1 DPN 11 1HE DPN 11 -10.330 4.356 2.694
64 HE2 DPN 11 2HE DPN 11 -9.796 6.487 -0.959
65 HZ DPN 11 HZ DPN 11 -11.122 6.023 1.063
66 H ARG 12 H ARG 12 -8.662 0.771 1.225
67 HA ARG 12 HA ARG 12 -7.408 0.585 3.851
68 HB3 ARG 12 2HB ARG 12 -10.164 -0.424 3.313
69 HG3 ARG 12 2HG ARG 12 -9.281 1.403 5.514
70 HD3 ARG 12 2HD ARG 12 -11.115 0.374 6.712
71 HE ARG 12 HE ARG 12 -11.590 1.870 4.385
72 HH11 ARG 12 1HH2 ARG 12 -13.613 2.872 4.054
73 HH12 ARG 12 2HH2 ARG 12 -14.999 2.298 4.915
74 HH21 ARG 12 1HH1 ARG 12 -13.259 -0.208 6.624
75 HH22 ARG 12 2HH1 ARG 12 -14.799 0.546 6.380
76 H TRP 13 H TRP 13 -6.186 -1.051 2.007
77 HA TRP 13 HA TRP 13 -7.003 -3.717 2.950
78 HB3 TRP 13 2HB TRP 13 -5.712 -3.372 0.266
79 HD1 TRP 13 HD TRP 13 -4.992 -5.796 -0.167
80 HE1 TRP 13 1HE TRP 13 -6.123 -8.102 -0.009
81 HE3 TRP 13 3HE TRP 13 -9.414 -4.387 1.977
82 HZ2 TRP 13 2HZ TRP 13 -8.567 -9.181 0.903
83 HZ3 TRP 13 3HZ TRP 13 -11.096 -6.117 2.459
84 HH2 TRP 13 HH TRP 13 -10.679 -8.465 1.932
85 H ARG 14 H ARG 14 -4.289 -2.263 1.142
86 HA ARG 14 HA ARG 14 -2.458 -3.105 3.253
87 HB3 ARG 14 2HB ARG 14 -2.280 -3.995 0.375
88 HG3 ARG 14 2HG ARG 14 -0.152 -4.065 2.497
89 HD3 ARG 14 2HD ARG 14 1.127 -5.482 0.984
90 HE ARG 14 HE ARG 14 -1.200 -7.138 1.205
91 HH11 ARG 14 1HH2 ARG 14 -1.319 -8.574 2.973
92 HH12 ARG 14 2HH2 ARG 14 -0.262 -8.348 4.327
93 HH21 ARG 14 1HH1 ARG 14 1.321 -5.531 2.989
94 HH22 ARG 14 2HH1 ARG 14 1.239 -6.617 4.337
Start of MODEL 20
1 H1 CYS 1 H CYS 1 -0.927 -1.090 4.191
2 HA CYS 1 HA CYS 1 0.138 -0.132 1.615
3 HB3 CYS 1 2HB CYS 1 0.578 2.024 2.583
4 H THR 2 H THR 2 2.133 -0.822 1.276
5 HA THR 2 HA THR 2 3.753 -1.742 3.519
6 HB THR 2 HB THR 2 5.266 -2.658 1.805
7 HG1 THR 2 1HG THR 2 3.368 -1.820 -0.135
8 HG21 THR 2 1HG2 THR 2 2.412 -3.378 1.150
9 HG22 THR 2 2HG2 THR 2 3.240 -3.914 2.613
10 HG23 THR 2 3HG2 THR 2 3.839 -4.407 1.030
11 H ALA 3 H ALA 3 6.260 -1.353 2.982
12 HA ALA 3 HA ALA 3 6.557 1.567 2.740
13 HB1 ALA 3 1HB ALA 3 8.444 1.430 4.208
14 HB2 ALA 3 2HB ALA 3 7.098 0.568 4.955
15 HB3 ALA 3 3HB ALA 3 8.401 -0.333 4.180
16 H SER 4 H SER 4 6.506 0.661 0.344
17 HA SER 4 HA SER 4 9.137 -0.242 -0.523
18 HB3 SER 4 2HB SER 4 6.691 0.337 -2.209
19 HG SER 4 HG SER 4 7.779 -0.643 -3.784
20 H ILE 5 H ILE 5 9.703 0.868 -2.806
21 HA ILE 5 HA ILE 5 9.431 3.771 -2.589
22 HB ILE 5 HB ILE 5 12.111 2.410 -2.873
23 HG13 ILE 5 2HG1 ILE 5 10.642 3.554 -0.549
24 HG21 ILE 5 1HG2 ILE 5 12.575 4.332 -3.944
25 HG22 ILE 5 2HG2 ILE 5 11.164 5.160 -3.283
26 HG23 ILE 5 3HG2 ILE 5 12.631 5.007 -2.316
27 HD11 ILE 5 1HD1 ILE 5 10.931 1.385 -0.049
28 HD12 ILE 5 2HD1 ILE 5 12.328 1.213 -1.113
29 HD13 ILE 5 3HD1 ILE 5 12.518 1.939 0.482
30 HA PRO 6 HA PRO 6 8.260 4.867 -3.572
31 HB3 PRO 6 2HB PRO 6 7.344 5.860 -5.432
32 HG3 PRO 6 2HG PRO 6 7.152 4.700 -7.438
33 HD3 PRO 6 2HD PRO 6 9.365 4.283 -6.950
34 HA PRO 7 HA PRO 7 5.975 1.915 -1.243
35 HB3 PRO 7 2HB PRO 7 5.673 3.562 0.331
36 HG3 PRO 7 2HG PRO 7 5.317 5.772 -0.298
37 HD3 PRO 7 2HD PRO 7 7.182 5.293 -1.567
38 H ILE 8 H ILE 8 3.859 0.882 -0.997
39 HA ILE 8 HA ILE 8 2.075 1.318 -3.298
40 HB ILE 8 HB ILE 8 3.117 -1.312 -2.258
41 HG13 ILE 8 2HG1 ILE 8 3.406 0.290 -4.751
42 HG21 ILE 8 1HG2 ILE 8 1.544 -2.261 -4.052
43 HG22 ILE 8 2HG2 ILE 8 0.844 -1.772 -2.511
44 HG23 ILE 8 3HG2 ILE 8 0.692 -0.724 -3.920
45 HD11 ILE 8 1HD1 ILE 8 5.150 -1.264 -2.950
46 HD12 ILE 8 2HD1 ILE 8 5.570 -1.257 -4.662
47 HD13 ILE 8 3HD1 ILE 8 5.440 0.265 -3.779
48 H CYS 9 H CYS 9 -0.091 1.141 -2.917
49 HA CYS 9 HA CYS 9 -1.009 0.166 -0.323
50 HB3 CYS 9 2HB CYS 9 -1.932 2.859 -1.314
51 H HIS 10 H HIS 10 -2.911 -0.876 -0.445
52 HA HIS 10 HA HIS 10 -4.257 -0.909 -3.048
53 HB3 HIS 10 2HB HIS 10 -5.349 -2.985 -2.171
54 HD1 HIS 10 1HD HIS 10 -4.065 -3.628 -4.360
55 HD2 HIS 10 2HD HIS 10 -1.750 -3.646 -0.910
56 HE1 HIS 10 1HE HIS 10 -1.959 -4.860 -4.970
57 H DPN 11 H DPN 11 -4.794 1.374 -1.714
58 HA DPN 11 HA DPN 11 -7.634 1.187 -1.328
59 HB2 DPN 11 2HB DPN 11 -5.637 3.388 -1.534
60 HB3 DPN 11 3HB DPN 11 -7.161 3.742 -0.728
61 HD1 DPN 11 1HD DPN 11 -9.299 2.902 -2.052
62 HD2 DPN 11 2HD DPN 11 -5.506 3.738 -3.795
63 HE1 DPN 11 1HE DPN 11 -10.378 3.233 -4.239
64 HE2 DPN 11 2HE DPN 11 -6.580 4.068 -5.984
65 HZ DPN 11 HZ DPN 11 -9.020 3.818 -6.207
66 H ARG 12 H ARG 12 -8.558 0.675 0.532
67 HA ARG 12 HA ARG 12 -7.307 1.599 3.032
68 HB3 ARG 12 2HB ARG 12 -9.500 2.542 2.731
69 HG3 ARG 12 2HG ARG 12 -10.455 -0.283 2.340
70 HD3 ARG 12 2HD ARG 12 -12.696 0.945 2.077
71 HE ARG 12 HE ARG 12 -11.516 -0.051 4.451
72 HH11 ARG 12 1HH2 ARG 12 -12.860 -0.664 6.189
73 HH12 ARG 12 2HH2 ARG 12 -14.488 -0.079 6.253
74 HH21 ARG 12 1HH1 ARG 12 -14.253 1.758 3.287
75 HH22 ARG 12 2HH1 ARG 12 -15.281 1.299 4.603
76 H TRP 13 H TRP 13 -6.225 -0.662 1.950
77 HA TRP 13 HA TRP 13 -7.259 -2.775 3.724
78 HB3 TRP 13 2HB TRP 13 -5.820 -3.321 1.132
79 HD1 TRP 13 HD TRP 13 -4.828 -5.348 2.851
80 HE1 TRP 13 1HE TRP 13 -5.827 -7.689 3.241
81 HE3 TRP 13 3HE TRP 13 -9.599 -4.473 1.238
82 HZ2 TRP 13 2HZ TRP 13 -8.310 -8.990 2.910
83 HZ3 TRP 13 3HZ TRP 13 -11.226 -6.319 1.307
84 HH2 TRP 13 HH TRP 13 -10.591 -8.530 2.125
85 H ARG 14 H ARG 14 -4.326 -2.234 1.765
86 HA ARG 14 HA ARG 14 -2.722 -2.422 4.213
87 HB3 ARG 14 2HB ARG 14 -2.331 -4.056 1.705
88 HG3 ARG 14 2HG ARG 14 -0.452 -3.675 4.022
89 HD3 ARG 14 2HD ARG 14 0.052 -5.585 1.789
90 HE ARG 14 HE ARG 14 1.468 -4.931 4.057
91 HH11 ARG 14 1HH2 ARG 14 3.080 -6.278 4.942
92 HH12 ARG 14 2HH2 ARG 14 3.041 -7.980 4.619
93 HH21 ARG 14 1HH1 ARG 14 0.162 -7.831 2.642
94 HH22 ARG 14 2HH1 ARG 14 1.382 -8.863 3.311