Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
651661 | 7ju9 RC | 30789 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 8.211 3.061 8.693
2 H2 GLY 1 HT2 GLY 1 9.028 3.519 10.112
3 H3 GLY 1 HT3 GLY 1 9.548 2.164 9.228
4 HA2 GLY 1 HA2 GLY 1 9.464 4.762 7.873
5 HA3 GLY 1 HA1 GLY 1 10.778 4.442 9.008
6 H ARG 2 HN ARG 2 12.385 3.011 8.461
7 HA ARG 2 HA ARG 2 12.768 2.437 5.703
8 HB2 ARG 2 HB2 ARG 2 14.217 1.414 8.155
9 HB3 ARG 2 HB1 ARG 2 14.756 1.165 6.494
10 HG2 ARG 2 HG2 ARG 2 14.260 3.894 7.716
11 HG3 ARG 2 HG1 ARG 2 15.847 3.131 7.620
12 HD2 ARG 2 HD2 ARG 2 15.689 3.034 5.184
13 HD3 ARG 2 HD1 ARG 2 14.062 3.704 5.238
14 HE ARG 2 HE ARG 2 16.561 5.161 5.760
15 HH11 ARG 2 HH11 ARG 2 13.100 5.072 5.577
16 HH12 ARG 2 HH12 ARG 2 12.926 6.793 5.504
17 HH21 ARG 2 HH21 ARG 2 16.332 7.416 5.662
18 HH22 ARG 2 HH22 ARG 2 14.752 8.118 5.552
19 H ILE 3 HN ILE 3 12.782 0.451 4.626
20 HA ILE 3 HA ILE 3 12.158 -1.714 4.150
21 HB ILE 3 HB ILE 3 11.653 -1.977 7.124
22 HG12 ILE 3 HG12 ILE 3 13.982 -1.311 6.622
23 HG13 ILE 3 HG11 ILE 3 13.910 -2.983 7.181
24 HG21 ILE 3 HG21 ILE 3 11.875 -4.379 6.674
25 HG22 ILE 3 HG22 ILE 3 12.142 -4.049 4.962
26 HG23 ILE 3 HG23 ILE 3 10.576 -3.698 5.694
27 HD11 ILE 3 HD11 ILE 3 14.805 -1.937 4.616
28 HD12 ILE 3 HD12 ILE 3 13.550 -3.160 4.413
29 HD13 ILE 3 HD13 ILE 3 15.022 -3.547 5.302
30 H ASP 4 HN ASP 4 10.203 0.572 5.739
31 HA ASP 4 HA ASP 4 7.723 -0.776 5.833
32 HB2 ASP 4 HB2 ASP 4 8.125 1.362 6.979
33 HB3 ASP 4 HB1 ASP 4 8.284 2.169 5.420
34 H DBU 5 HN DHB 5 9.312 1.117 3.280
35 HB DBU 5 HB DHB 5 7.036 1.348 -0.095
36 HG1 DBU 5 HG1 DHB 5 5.207 2.287 1.158
37 HG2 DBU 5 HG2 DHB 5 6.009 1.966 2.696
38 HG3 DBU 5 HG3 DHB 5 6.522 3.329 1.699
39 H CYS 6 HN CYS 6 10.365 -0.243 2.367
40 HA CYS 6 HA CYS 6 10.841 -1.673 -0.178
41 HB2 CYS 6 HB2 CYS 6 12.287 0.386 0.177
42 HB3 CYS 6 HB1 CYS 6 13.012 -0.466 1.539
43 HA PRO 7 HA PRO 7 10.901 -4.486 3.604
44 HB2 PRO 7 HB2 PRO 7 9.292 -6.181 1.787
45 HB3 PRO 7 HB1 PRO 7 8.990 -5.739 3.476
46 HG2 PRO 7 HG2 PRO 7 7.556 -4.726 1.450
47 HG3 PRO 7 HG1 PRO 7 7.917 -3.801 2.918
48 HD2 PRO 7 HD2 PRO 7 9.141 -3.566 0.195
49 HD3 PRO 7 HD1 PRO 7 8.813 -2.300 1.400
50 H ALA 8 HN ALA 8 12.303 -6.211 3.815
51 HA ALA 8 HA ALA 8 14.144 -7.479 3.245
52 HB1 ALA 8 HB1 ALA 8 13.682 -9.222 1.649
53 HB2 ALA 8 HB2 ALA 8 12.397 -8.270 0.905
54 HB3 ALA 8 HB3 ALA 8 12.194 -8.902 2.540
55 H GLY 9 HN GLY 9 13.630 -4.751 1.815
56 HA2 GLY 9 HA2 GLY 9 15.616 -5.159 -0.344
57 HA3 GLY 9 HA1 GLY 9 14.347 -3.939 -0.408
58 H GLY 10 HN GLY 10 17.513 -4.702 0.685
59 HA2 GLY 10 HA2 GLY 10 17.875 -2.725 2.675
60 HA3 GLY 10 HA1 GLY 10 19.156 -3.453 1.708
61 H GLY 11 HN GLY 11 18.103 -2.669 -0.838
62 HA2 GLY 11 HA2 GLY 11 18.945 0.139 -0.824
63 HA3 GLY 11 HA1 GLY 11 18.853 -0.913 -2.233
64 H DBB 12 HN DBB 12 16.621 0.269 0.290
65 HA DBB 12 HA DBB 12 14.455 1.017 0.174
66 HB2 DBB 12 HB2 DBB 12 14.625 -0.466 -2.449
67 HG1 DBB 12 HG1 DBB 12 12.053 -0.059 -2.383
68 HG2 DBB 12 HG2 DBB 12 13.103 1.206 -3.023
69 HG3 DBB 12 HG3 DBB 12 12.469 1.333 -1.385
70 H DAL 13 HN DAL 13 16.409 1.611 -2.726
71 HA DAL 13 HA DAL 13 16.789 3.515 -3.925
72 HB1 DAL 13 HB2 DAL 13 15.893 4.529 -1.301
73 HB2 DAL 13 HB3 DAL 13 17.315 4.947 -2.253
74 H GLU 14 HN GLU 14 15.625 4.045 -5.799
75 HA GLU 14 HA GLU 14 13.002 5.150 -5.682
76 HB2 GLU 14 HB2 GLU 14 14.637 5.658 -7.482
77 HB3 GLU 14 HB1 GLU 14 14.495 3.996 -8.053
78 HG2 GLU 14 HG2 GLU 14 13.024 5.369 -9.391
79 HG3 GLU 14 HG1 GLU 14 12.024 4.378 -8.334
80 H GLN 15 HN GLN 15 14.071 2.046 -5.246
81 HA GLN 15 HA GLN 15 12.187 0.511 -6.706
82 HB2 GLN 15 HB2 GLN 15 13.749 -0.083 -4.185
83 HB3 GLN 15 HB1 GLN 15 12.753 -1.275 -5.018
84 HG2 GLN 15 HG2 GLN 15 15.041 0.262 -6.279
85 HG3 GLN 15 HG1 GLN 15 15.139 -1.402 -5.705
86 HE21 GLN 15 HE21 GLN 15 14.891 0.217 -8.527
87 HE22 GLN 15 HE22 GLN 15 13.919 -0.855 -9.415
88 H DBB 16 HN DBB 16 11.982 2.298 -3.728
89 HA DBB 16 HA DBB 16 9.606 0.965 -2.771
90 HB2 DBB 16 HB2 DBB 16 7.961 2.452 -3.388
91 HG1 DBB 16 HG1 DBB 16 10.068 2.684 -5.540
92 HG2 DBB 16 HG2 DBB 16 8.405 3.226 -5.743
93 HG3 DBB 16 HG3 DBB 16 8.748 1.519 -5.455
94 H GLY 17 HN GLY 17 8.625 2.229 -0.920
95 HA2 GLY 17 HA2 GLY 17 8.981 4.033 0.718
96 HA3 GLY 17 HA1 GLY 17 9.676 2.533 1.319
97 H DBU 18 HN DHB 18 11.774 2.533 1.870
98 HB DBU 18 HB DHB 18 15.398 3.664 2.048
99 HG1 DBU 18 HG1 DHB 18 15.285 1.175 1.936
100 HG2 DBU 18 HG2 DHB 18 14.636 1.649 3.506
101 HG3 DBU 18 HG3 DHB 18 13.540 1.225 2.191
102 H CYS 19 HN CYS 19 13.706 4.697 -0.783
103 HA CYS 19 HA CYS 19 13.611 7.530 0.051
104 HB2 CYS 19 HB2 CYS 19 15.470 8.047 -1.278
105 HB3 CYS 19 HB1 CYS 19 15.921 6.515 -0.545
106 H CYS 20 HN CYS 20 12.641 5.073 -2.175
107 HA CYS 20 HA CYS 20 11.937 6.454 -4.452
108 HB2 CYS 20 HB2 CYS 20 10.849 4.554 -5.011
109 HB3 CYS 20 HB1 CYS 20 11.490 3.922 -3.495
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 8.144 4.040 6.276
2 H2 GLY 1 HT2 GLY 1 8.441 4.656 7.832
3 H3 GLY 1 HT3 GLY 1 6.886 4.116 7.411
4 HA2 GLY 1 HA2 GLY 1 8.510 2.623 8.809
5 HA3 GLY 1 HA1 GLY 1 7.405 1.928 7.623
6 H ARG 2 HN ARG 2 9.859 3.890 6.299
7 HA ARG 2 HA ARG 2 11.435 3.290 4.692
8 HB2 ARG 2 HB2 ARG 2 12.333 1.900 7.222
9 HB3 ARG 2 HB1 ARG 2 13.347 2.064 5.789
10 HG2 ARG 2 HG2 ARG 2 13.157 4.507 5.905
11 HG3 ARG 2 HG1 ARG 2 12.092 4.372 7.304
12 HD2 ARG 2 HD2 ARG 2 13.889 3.283 8.582
13 HD3 ARG 2 HD1 ARG 2 14.955 3.381 7.183
14 HE ARG 2 HE ARG 2 15.184 5.694 7.562
15 HH11 ARG 2 HH11 ARG 2 12.870 4.207 9.661
16 HH12 ARG 2 HH12 ARG 2 12.771 5.560 10.738
17 HH21 ARG 2 HH21 ARG 2 15.060 7.473 8.970
18 HH22 ARG 2 HH22 ARG 2 14.011 7.409 10.347
19 H ILE 3 HN ILE 3 11.804 0.268 6.432
20 HA ILE 3 HA ILE 3 11.847 -1.338 4.145
21 HB ILE 3 HB ILE 3 11.149 -2.074 6.997
22 HG12 ILE 3 HG12 ILE 3 13.749 -2.419 5.481
23 HG13 ILE 3 HG11 ILE 3 13.414 -1.021 6.503
24 HG21 ILE 3 HG21 ILE 3 10.360 -3.819 5.518
25 HG22 ILE 3 HG22 ILE 3 11.872 -4.368 6.241
26 HG23 ILE 3 HG23 ILE 3 11.854 -3.767 4.583
27 HD11 ILE 3 HD11 ILE 3 12.763 -3.483 7.890
28 HD12 ILE 3 HD12 ILE 3 13.865 -2.194 8.372
29 HD13 ILE 3 HD13 ILE 3 14.437 -3.502 7.336
30 H ASP 4 HN ASP 4 9.238 0.267 5.497
31 HA ASP 4 HA ASP 4 7.145 -1.614 5.115
32 HB2 ASP 4 HB2 ASP 4 5.666 0.377 5.166
33 HB3 ASP 4 HB1 ASP 4 6.823 0.366 6.496
34 H DBU 5 HN DHB 5 8.672 0.788 3.008
35 HB DBU 5 HB DHB 5 7.006 1.158 -0.648
36 HG1 DBU 5 HG1 DHB 5 5.401 2.602 0.274
37 HG2 DBU 5 HG2 DHB 5 5.259 1.505 1.648
38 HG3 DBU 5 HG3 DHB 5 6.441 2.814 1.682
39 H CYS 6 HN CYS 6 10.169 -0.271 1.929
40 HA CYS 6 HA CYS 6 10.726 -1.902 -0.478
41 HB2 CYS 6 HB2 CYS 6 12.069 0.245 -0.200
42 HB3 CYS 6 HB1 CYS 6 12.808 -0.513 1.210
43 HA PRO 7 HA PRO 7 10.639 -4.601 3.350
44 HB2 PRO 7 HB2 PRO 7 9.728 -6.487 1.234
45 HB3 PRO 7 HB1 PRO 7 9.071 -6.207 2.857
46 HG2 PRO 7 HG2 PRO 7 7.815 -5.318 0.694
47 HG3 PRO 7 HG1 PRO 7 7.847 -4.378 2.195
48 HD2 PRO 7 HD2 PRO 7 9.402 -3.945 -0.329
49 HD3 PRO 7 HD1 PRO 7 8.722 -2.749 0.795
50 H ALA 8 HN ALA 8 12.361 -5.818 3.951
51 HA ALA 8 HA ALA 8 14.564 -6.559 3.746
52 HB1 ALA 8 HB1 ALA 8 13.993 -8.545 1.745
53 HB2 ALA 8 HB2 ALA 8 12.630 -8.415 2.857
54 HB3 ALA 8 HB3 ALA 8 14.245 -8.759 3.477
55 H GLY 9 HN GLY 9 13.824 -4.413 1.826
56 HA2 GLY 9 HA2 GLY 9 15.658 -5.112 -0.390
57 HA3 GLY 9 HA1 GLY 9 14.345 -3.947 -0.525
58 H GLY 10 HN GLY 10 17.130 -4.513 1.643
59 HA2 GLY 10 HA2 GLY 10 17.699 -2.221 2.792
60 HA3 GLY 10 HA1 GLY 10 18.978 -3.065 1.923
61 H GLY 11 HN GLY 11 18.118 -2.691 -0.705
62 HA2 GLY 11 HA2 GLY 11 18.871 0.087 -1.108
63 HA3 GLY 11 HA1 GLY 11 18.695 -1.142 -2.357
64 H DBB 12 HN DBB 12 16.482 0.180 0.113
65 HA DBB 12 HA DBB 12 14.302 0.898 -0.050
66 HB2 DBB 12 HB2 DBB 12 14.555 -0.564 -2.683
67 HG1 DBB 12 HG1 DBB 12 12.379 1.238 -1.666
68 HG2 DBB 12 HG2 DBB 12 11.961 -0.176 -2.634
69 HG3 DBB 12 HG3 DBB 12 13.015 1.070 -3.303
70 H DAL 13 HN DAL 13 16.394 1.511 -2.825
71 HA DAL 13 HA DAL 13 16.729 3.383 -4.114
72 HB1 DAL 13 HB2 DAL 13 16.202 4.314 -1.406
73 HB2 DAL 13 HB3 DAL 13 17.377 4.898 -2.585
74 H GLU 14 HN GLU 14 15.547 4.784 -5.578
75 HA GLU 14 HA GLU 14 12.906 5.575 -5.406
76 HB2 GLU 14 HB2 GLU 14 12.923 5.711 -7.847
77 HB3 GLU 14 HB1 GLU 14 14.463 6.279 -7.198
78 HG2 GLU 14 HG2 GLU 14 15.484 4.095 -7.653
79 HG3 GLU 14 HG1 GLU 14 13.944 3.484 -8.254
80 H GLN 15 HN GLN 15 14.078 2.417 -5.508
81 HA GLN 15 HA GLN 15 12.134 1.055 -7.009
82 HB2 GLN 15 HB2 GLN 15 14.349 0.295 -5.646
83 HB3 GLN 15 HB1 GLN 15 13.092 -0.272 -4.545
84 HG2 GLN 15 HG2 GLN 15 13.599 -2.043 -6.134
85 HG3 GLN 15 HG1 GLN 15 11.984 -1.418 -6.469
86 HE21 GLN 15 HE21 GLN 15 11.716 -1.364 -8.704
87 HE22 GLN 15 HE22 GLN 15 12.881 -0.811 -9.808
88 H DBB 16 HN DBB 16 12.028 2.459 -3.821
89 HA DBB 16 HA DBB 16 9.630 1.070 -3.007
90 HB2 DBB 16 HB2 DBB 16 8.344 3.325 -2.917
91 HG1 DBB 16 HG1 DBB 16 8.621 2.510 -5.747
92 HG2 DBB 16 HG2 DBB 16 7.189 2.558 -4.719
93 HG3 DBB 16 HG3 DBB 16 8.307 1.198 -4.612
94 H GLY 17 HN GLY 17 8.971 1.624 -0.872
95 HA2 GLY 17 HA2 GLY 17 9.560 3.531 0.859
96 HA3 GLY 17 HA1 GLY 17 9.758 1.847 1.336
97 H DBU 18 HN DHB 18 11.270 4.196 2.239
98 HB DBU 18 HB DHB 18 15.283 3.575 2.663
99 HG1 DBU 18 HG1 DHB 18 14.629 1.097 2.541
100 HG2 DBU 18 HG2 DHB 18 14.294 1.768 4.137
101 HG3 DBU 18 HG3 DHB 18 12.983 1.559 2.977
102 H CYS 19 HN CYS 19 13.372 4.776 -0.440
103 HA CYS 19 HA CYS 19 13.894 7.591 0.257
104 HB2 CYS 19 HB2 CYS 19 15.757 7.779 -1.113
105 HB3 CYS 19 HB1 CYS 19 15.984 6.161 -0.450
106 H CYS 20 HN CYS 20 12.071 5.366 -1.444
107 HA CYS 20 HA CYS 20 11.541 6.346 -3.928
108 HB2 CYS 20 HB2 CYS 20 10.150 4.748 -2.024
109 HB3 CYS 20 HB1 CYS 20 9.005 5.912 -2.691
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 7.363 1.989 8.394
2 H2 GLY 1 HT2 GLY 1 7.293 2.308 10.062
3 H3 GLY 1 HT3 GLY 1 7.285 0.705 9.499
4 HA2 GLY 1 HA2 GLY 1 9.499 2.456 10.005
5 HA3 GLY 1 HA1 GLY 1 9.470 0.699 9.846
6 H ARG 2 HN ARG 2 11.545 2.132 8.736
7 HA ARG 2 HA ARG 2 11.182 2.910 6.045
8 HB2 ARG 2 HB2 ARG 2 13.619 1.885 7.515
9 HB3 ARG 2 HB1 ARG 2 13.661 2.527 5.873
10 HG2 ARG 2 HG2 ARG 2 12.593 4.050 8.266
11 HG3 ARG 2 HG1 ARG 2 14.223 4.238 7.620
12 HD2 ARG 2 HD2 ARG 2 13.258 4.869 5.423
13 HD3 ARG 2 HD1 ARG 2 11.643 4.736 6.109
14 HE ARG 2 HE ARG 2 13.623 6.823 6.713
15 HH11 ARG 2 HH11 ARG 2 10.521 5.366 7.236
16 HH12 ARG 2 HH12 ARG 2 9.843 6.765 7.998
17 HH21 ARG 2 HH21 ARG 2 12.733 8.657 7.704
18 HH22 ARG 2 HH22 ARG 2 11.094 8.627 8.263
19 H ILE 3 HN ILE 3 11.951 -0.196 7.547
20 HA ILE 3 HA ILE 3 12.452 -1.612 5.133
21 HB ILE 3 HB ILE 3 11.447 -2.718 7.765
22 HG12 ILE 3 HG12 ILE 3 13.457 -1.307 8.073
23 HG13 ILE 3 HG11 ILE 3 13.838 -3.013 8.309
24 HG21 ILE 3 HG21 ILE 3 11.329 -4.361 6.007
25 HG22 ILE 3 HG22 ILE 3 12.771 -4.719 6.956
26 HG23 ILE 3 HG23 ILE 3 12.919 -3.905 5.399
27 HD11 ILE 3 HD11 ILE 3 15.420 -2.838 6.721
28 HD12 ILE 3 HD12 ILE 3 14.946 -1.173 6.389
29 HD13 ILE 3 HD13 ILE 3 14.153 -2.500 5.542
30 H ASP 4 HN ASP 4 9.553 -0.681 6.819
31 HA ASP 4 HA ASP 4 7.763 -2.576 5.727
32 HB2 ASP 4 HB2 ASP 4 7.278 -1.038 7.650
33 HB3 ASP 4 HB1 ASP 4 7.132 0.282 6.490
34 H DBU 5 HN DHB 5 8.884 0.586 4.569
35 HB DBU 5 HB DHB 5 7.470 2.048 1.172
36 HG1 DBU 5 HG1 DHB 5 7.402 3.151 3.843
37 HG2 DBU 5 HG2 DHB 5 6.224 3.461 2.569
38 HG3 DBU 5 HG3 DHB 5 5.978 2.122 3.691
39 H CYS 6 HN CYS 6 10.665 0.427 2.372
40 HA CYS 6 HA CYS 6 10.764 -0.792 -0.210
41 HB2 CYS 6 HB2 CYS 6 12.595 0.606 0.747
42 HB3 CYS 6 HB1 CYS 6 12.919 -0.675 1.913
43 HA PRO 7 HA PRO 7 10.028 -4.964 1.060
44 HB2 PRO 7 HB2 PRO 7 10.937 -6.221 -1.195
45 HB3 PRO 7 HB1 PRO 7 9.382 -5.372 -1.110
46 HG2 PRO 7 HG2 PRO 7 11.964 -4.481 -2.280
47 HG3 PRO 7 HG1 PRO 7 10.310 -4.211 -2.852
48 HD2 PRO 7 HD2 PRO 7 11.777 -2.307 -1.513
49 HD3 PRO 7 HD1 PRO 7 10.000 -2.367 -1.501
50 H ALA 8 HN ALA 8 12.196 -4.070 2.394
51 HA ALA 8 HA ALA 8 14.294 -4.589 3.215
52 HB1 ALA 8 HB1 ALA 8 13.438 -6.439 4.271
53 HB2 ALA 8 HB2 ALA 8 14.557 -7.247 3.173
54 HB3 ALA 8 HB3 ALA 8 12.842 -7.152 2.773
55 H GLY 9 HN GLY 9 14.269 -3.892 0.445
56 HA2 GLY 9 HA2 GLY 9 16.187 -5.733 -0.805
57 HA3 GLY 9 HA1 GLY 9 15.354 -4.402 -1.603
58 H GLY 10 HN GLY 10 16.515 -3.491 1.429
59 HA2 GLY 10 HA2 GLY 10 18.372 -2.307 2.146
60 HA3 GLY 10 HA1 GLY 10 19.214 -2.829 0.690
61 H GLY 11 HN GLY 11 19.129 -1.559 -1.180
62 HA2 GLY 11 HA2 GLY 11 19.303 1.091 -1.173
63 HA3 GLY 11 HA1 GLY 11 18.475 0.278 -2.502
64 H DBB 12 HN DBB 12 16.131 -0.333 -1.958
65 HA DBB 12 HA DBB 12 14.691 1.160 -0.036
66 HB2 DBB 12 HB2 DBB 12 13.928 -0.416 -2.478
67 HG1 DBB 12 HG1 DBB 12 11.521 0.082 -1.683
68 HG2 DBB 12 HG2 DBB 12 12.358 1.325 -2.617
69 HG3 DBB 12 HG3 DBB 12 12.231 1.476 -0.866
70 H DAL 13 HN DAL 13 16.073 2.032 -3.024
71 HA DAL 13 HA DAL 13 16.204 4.222 -3.865
72 HB1 DAL 13 HB2 DAL 13 14.776 5.927 -3.064
73 HB2 DAL 13 HB3 DAL 13 13.628 4.756 -2.428
74 H GLU 14 HN GLU 14 15.573 2.518 -5.685
75 HA GLU 14 HA GLU 14 13.557 3.743 -7.286
76 HB2 GLU 14 HB2 GLU 14 15.136 1.187 -7.622
77 HB3 GLU 14 HB1 GLU 14 14.024 1.818 -8.838
78 HG2 GLU 14 HG2 GLU 14 15.305 3.893 -8.985
79 HG3 GLU 14 HG1 GLU 14 16.384 3.346 -7.703
80 H GLN 15 HN GLN 15 13.590 1.091 -5.054
81 HA GLN 15 HA GLN 15 11.174 -0.141 -6.015
82 HB2 GLN 15 HB2 GLN 15 13.222 -0.740 -4.118
83 HB3 GLN 15 HB1 GLN 15 11.659 -0.842 -3.304
84 HG2 GLN 15 HG2 GLN 15 12.301 -2.179 -5.948
85 HG3 GLN 15 HG1 GLN 15 12.349 -2.993 -4.385
86 HE21 GLN 15 HE21 GLN 15 10.397 -2.780 -6.991
87 HE22 GLN 15 HE22 GLN 15 8.876 -2.888 -6.247
88 H DBB 16 HN DBB 16 11.798 2.661 -4.222
89 HA DBB 16 HA DBB 16 8.973 2.762 -3.389
90 HB2 DBB 16 HB2 DBB 16 9.134 5.131 -3.475
91 HG1 DBB 16 HG1 DBB 16 10.638 3.723 -5.670
92 HG2 DBB 16 HG2 DBB 16 10.361 5.463 -5.735
93 HG3 DBB 16 HG3 DBB 16 8.991 4.354 -5.685
94 H GLY 17 HN GLY 17 8.423 2.675 -1.314
95 HA2 GLY 17 HA2 GLY 17 8.674 3.393 0.972
96 HA3 GLY 17 HA1 GLY 17 9.496 1.842 0.850
97 H DBU 18 HN DHB 18 11.325 1.924 2.008
98 HB DBU 18 HB DHB 18 14.777 3.113 3.072
99 HG1 DBU 18 HG1 DHB 18 14.451 0.910 3.993
100 HG2 DBU 18 HG2 DHB 18 12.909 0.717 3.159
101 HG3 DBU 18 HG3 DHB 18 14.422 0.570 2.263
102 H CYS 19 HN CYS 19 14.177 4.354 0.413
103 HA CYS 19 HA CYS 19 14.479 6.971 1.478
104 HB2 CYS 19 HB2 CYS 19 14.728 7.099 -1.351
105 HB3 CYS 19 HB1 CYS 19 16.019 7.045 -0.161
106 H CYS 20 HN CYS 20 12.249 5.578 -0.906
107 HA CYS 20 HA CYS 20 10.740 8.120 -0.872
108 HB2 CYS 20 HB2 CYS 20 9.662 6.950 -2.977
109 HB3 CYS 20 HB1 CYS 20 11.206 7.792 -3.112
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 8.773 4.658 8.746
2 H2 GLY 1 HT2 GLY 1 7.434 3.804 9.349
3 H3 GLY 1 HT3 GLY 1 7.529 4.180 7.696
4 HA2 GLY 1 HA2 GLY 1 9.610 2.529 8.974
5 HA3 GLY 1 HA1 GLY 1 8.095 1.805 8.430
6 H ARG 2 HN ARG 2 11.139 3.098 7.480
7 HA ARG 2 HA ARG 2 10.657 3.572 4.733
8 HB2 ARG 2 HB2 ARG 2 13.157 2.829 6.259
9 HB3 ARG 2 HB1 ARG 2 13.158 3.191 4.532
10 HG2 ARG 2 HG2 ARG 2 12.205 5.410 4.976
11 HG3 ARG 2 HG1 ARG 2 12.150 5.054 6.704
12 HD2 ARG 2 HD2 ARG 2 14.603 4.787 6.727
13 HD3 ARG 2 HD1 ARG 2 14.659 5.148 5.004
14 HE ARG 2 HE ARG 2 14.145 7.053 7.168
15 HH11 ARG 2 HH11 ARG 2 14.252 6.318 3.788
16 HH12 ARG 2 HH12 ARG 2 14.335 7.976 3.290
17 HH21 ARG 2 HH21 ARG 2 14.253 9.228 6.522
18 HH22 ARG 2 HH22 ARG 2 14.336 9.623 4.838
19 H ILE 3 HN ILE 3 11.574 0.680 6.541
20 HA ILE 3 HA ILE 3 12.039 -0.996 4.289
21 HB ILE 3 HB ILE 3 11.264 -1.646 7.143
22 HG12 ILE 3 HG12 ILE 3 13.950 -1.875 5.764
23 HG13 ILE 3 HG11 ILE 3 13.457 -0.427 6.642
24 HG21 ILE 3 HG21 ILE 3 10.689 -3.540 5.771
25 HG22 ILE 3 HG22 ILE 3 12.238 -3.906 6.531
26 HG23 ILE 3 HG23 ILE 3 12.182 -3.393 4.845
27 HD11 ILE 3 HD11 ILE 3 14.787 -2.019 8.044
28 HD12 ILE 3 HD12 ILE 3 13.504 -3.211 7.837
29 HD13 ILE 3 HD13 ILE 3 13.177 -1.703 8.690
30 H ASP 4 HN ASP 4 9.178 0.091 5.928
31 HA ASP 4 HA ASP 4 7.383 -1.951 5.158
32 HB2 ASP 4 HB2 ASP 4 6.837 -0.267 6.864
33 HB3 ASP 4 HB1 ASP 4 6.842 0.991 5.627
34 H DBU 5 HN DHB 5 8.377 1.070 3.558
35 HB DBU 5 HB DHB 5 6.954 2.045 0.016
36 HG1 DBU 5 HG1 DHB 5 7.146 3.760 2.204
37 HG2 DBU 5 HG2 DHB 5 5.662 3.585 1.267
38 HG3 DBU 5 HG3 DHB 5 5.883 2.659 2.751
39 H CYS 6 HN CYS 6 9.979 -0.107 1.735
40 HA CYS 6 HA CYS 6 9.481 -2.112 -0.373
41 HB2 CYS 6 HB2 CYS 6 11.601 -1.657 -1.401
42 HB3 CYS 6 HB1 CYS 6 10.766 -0.116 -1.234
43 HA PRO 7 HA PRO 7 11.067 -4.072 3.507
44 HB2 PRO 7 HB2 PRO 7 9.503 -6.329 2.399
45 HB3 PRO 7 HB1 PRO 7 9.454 -5.612 4.019
46 HG2 PRO 7 HG2 PRO 7 7.483 -5.259 2.236
47 HG3 PRO 7 HG1 PRO 7 7.935 -4.016 3.415
48 HD2 PRO 7 HD2 PRO 7 8.533 -4.139 0.485
49 HD3 PRO 7 HD1 PRO 7 8.208 -2.726 1.515
50 H ALA 8 HN ALA 8 12.793 -5.452 3.682
51 HA ALA 8 HA ALA 8 14.684 -6.559 2.971
52 HB1 ALA 8 HB1 ALA 8 13.270 -8.110 0.912
53 HB2 ALA 8 HB2 ALA 8 12.500 -8.146 2.498
54 HB3 ALA 8 HB3 ALA 8 14.177 -8.664 2.321
55 H GLY 9 HN GLY 9 13.508 -4.203 1.292
56 HA2 GLY 9 HA2 GLY 9 14.488 -4.698 -1.372
57 HA3 GLY 9 HA1 GLY 9 13.946 -3.150 -0.729
58 H GLY 10 HN GLY 10 15.929 -3.877 1.598
59 HA2 GLY 10 HA2 GLY 10 18.084 -3.317 2.181
60 HA3 GLY 10 HA1 GLY 10 18.547 -3.792 0.553
61 H GLY 11 HN GLY 11 18.369 -2.213 -1.162
62 HA2 GLY 11 HA2 GLY 11 19.411 0.313 -0.489
63 HA3 GLY 11 HA1 GLY 11 18.730 -0.124 -2.058
64 H DBB 12 HN DBB 12 16.143 -0.783 -1.200
65 HA DBB 12 HA DBB 12 14.803 1.053 0.379
66 HB2 DBB 12 HB2 DBB 12 14.118 -1.014 -1.440
67 HG1 DBB 12 HG1 DBB 12 12.555 1.518 -1.994
68 HG2 DBB 12 HG2 DBB 12 12.254 -0.078 -2.678
69 HG3 DBB 12 HG3 DBB 12 13.724 0.802 -3.101
70 H DAL 13 HN DAL 13 16.076 1.296 -2.845
71 HA DAL 13 HA DAL 13 16.489 3.100 -4.180
72 HB1 DAL 13 HB2 DAL 13 16.059 4.282 -1.522
73 HB2 DAL 13 HB3 DAL 13 17.333 4.574 -2.700
74 H GLU 14 HN GLU 14 15.259 4.883 -5.404
75 HA GLU 14 HA GLU 14 12.626 5.548 -5.137
76 HB2 GLU 14 HB2 GLU 14 12.541 5.839 -7.542
77 HB3 GLU 14 HB1 GLU 14 14.151 6.298 -6.985
78 HG2 GLU 14 HG2 GLU 14 14.981 4.034 -7.578
79 HG3 GLU 14 HG1 GLU 14 13.379 3.624 -8.192
80 H GLN 15 HN GLN 15 13.948 2.437 -5.670
81 HA GLN 15 HA GLN 15 11.908 1.072 -6.992
82 HB2 GLN 15 HB2 GLN 15 13.850 0.181 -4.846
83 HB3 GLN 15 HB1 GLN 15 12.763 -0.932 -5.684
84 HG2 GLN 15 HG2 GLN 15 13.729 -0.289 -7.842
85 HG3 GLN 15 HG1 GLN 15 14.772 0.886 -7.044
86 HE21 GLN 15 HE21 GLN 15 14.782 -2.228 -8.272
87 HE22 GLN 15 HE22 GLN 15 16.054 -2.872 -7.350
88 H DBB 16 HN DBB 16 11.754 2.690 -4.048
89 HA DBB 16 HA DBB 16 9.660 0.958 -2.938
90 HB2 DBB 16 HB2 DBB 16 8.251 3.132 -2.662
91 HG1 DBB 16 HG1 DBB 16 7.105 2.637 -4.712
92 HG2 DBB 16 HG2 DBB 16 7.777 1.117 -4.119
93 HG3 DBB 16 HG3 DBB 16 8.570 1.976 -5.440
94 H GLY 17 HN GLY 17 9.205 1.354 -0.735
95 HA2 GLY 17 HA2 GLY 17 9.803 3.261 1.008
96 HA3 GLY 17 HA1 GLY 17 10.170 1.583 1.396
97 H DBU 18 HN DHB 18 11.613 3.961 2.290
98 HB DBU 18 HB DHB 18 15.695 3.532 2.109
99 HG1 DBU 18 HG1 DHB 18 14.875 1.736 3.777
100 HG2 DBU 18 HG2 DHB 18 13.607 1.347 2.617
101 HG3 DBU 18 HG3 DHB 18 15.298 1.063 2.203
102 H CYS 19 HN CYS 19 13.601 4.611 -0.719
103 HA CYS 19 HA CYS 19 13.932 7.468 -0.084
104 HB2 CYS 19 HB2 CYS 19 15.776 7.749 -1.462
105 HB3 CYS 19 HB1 CYS 19 16.108 6.167 -0.769
106 H CYS 20 HN CYS 20 11.785 5.520 -1.188
107 HA CYS 20 HA CYS 20 11.313 6.193 -3.893
108 HB2 CYS 20 HB2 CYS 20 10.031 4.636 -1.919
109 HB3 CYS 20 HB1 CYS 20 8.840 5.809 -2.475
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 6.093 4.466 7.612
2 H2 GLY 1 HT2 GLY 1 7.528 5.279 7.200
3 H3 GLY 1 HT3 GLY 1 7.120 5.044 8.833
4 HA2 GLY 1 HA2 GLY 1 8.436 3.265 8.761
5 HA3 GLY 1 HA1 GLY 1 7.113 2.516 7.866
6 H ARG 2 HN ARG 2 10.353 3.439 7.749
7 HA ARG 2 HA ARG 2 10.730 4.067 5.029
8 HB2 ARG 2 HB2 ARG 2 12.450 4.376 6.794
9 HB3 ARG 2 HB1 ARG 2 12.634 2.625 6.889
10 HG2 ARG 2 HG2 ARG 2 13.267 2.563 4.502
11 HG3 ARG 2 HG1 ARG 2 13.113 4.318 4.422
12 HD2 ARG 2 HD2 ARG 2 14.980 2.868 6.315
13 HD3 ARG 2 HD1 ARG 2 15.475 3.529 4.759
14 HE ARG 2 HE ARG 2 14.205 5.574 6.217
15 HH11 ARG 2 HH11 ARG 2 17.028 3.573 6.293
16 HH12 ARG 2 HH12 ARG 2 18.002 4.741 7.121
17 HH21 ARG 2 HH21 ARG 2 15.474 7.107 7.313
18 HH22 ARG 2 HH22 ARG 2 17.122 6.742 7.699
19 H ILE 3 HN ILE 3 10.783 0.964 6.746
20 HA ILE 3 HA ILE 3 11.326 -0.568 4.365
21 HB ILE 3 HB ILE 3 10.433 -1.385 7.137
22 HG12 ILE 3 HG12 ILE 3 13.127 -1.762 5.823
23 HG13 ILE 3 HG11 ILE 3 12.738 -0.290 6.711
24 HG21 ILE 3 HG21 ILE 3 11.286 -3.650 6.334
25 HG22 ILE 3 HG22 ILE 3 11.250 -2.987 4.700
26 HG23 ILE 3 HG23 ILE 3 9.757 -3.125 5.630
27 HD11 ILE 3 HD11 ILE 3 12.364 -3.034 7.919
28 HD12 ILE 3 HD12 ILE 3 12.418 -1.475 8.745
29 HD13 ILE 3 HD13 ILE 3 13.887 -2.154 8.044
30 H ASP 4 HN ASP 4 8.655 1.074 5.338
31 HA ASP 4 HA ASP 4 6.530 -0.738 4.995
32 HB2 ASP 4 HB2 ASP 4 6.251 1.514 5.953
33 HB3 ASP 4 HB1 ASP 4 6.610 2.226 4.380
34 H DBU 5 HN DHB 5 8.313 1.265 2.657
35 HB DBU 5 HB DHB 5 7.081 1.012 -1.161
36 HG1 DBU 5 HG1 DHB 5 6.531 3.155 0.714
37 HG2 DBU 5 HG2 DHB 5 5.539 2.724 -0.679
38 HG3 DBU 5 HG3 DHB 5 5.233 1.974 0.888
39 H CYS 6 HN CYS 6 10.205 0.522 0.953
40 HA CYS 6 HA CYS 6 10.789 -1.617 -0.823
41 HB2 CYS 6 HB2 CYS 6 12.301 0.346 0.078
42 HB3 CYS 6 HB1 CYS 6 12.687 -0.811 1.350
43 HA PRO 7 HA PRO 7 9.738 -4.737 2.254
44 HB2 PRO 7 HB2 PRO 7 9.798 -6.843 0.510
45 HB3 PRO 7 HB1 PRO 7 8.413 -5.744 0.660
46 HG2 PRO 7 HG2 PRO 7 10.558 -5.816 -1.396
47 HG3 PRO 7 HG1 PRO 7 8.832 -5.459 -1.572
48 HD2 PRO 7 HD2 PRO 7 10.789 -3.519 -1.508
49 HD3 PRO 7 HD1 PRO 7 9.102 -3.237 -1.025
50 H ALA 8 HN ALA 8 11.461 -5.052 3.581
51 HA ALA 8 HA ALA 8 13.619 -5.578 4.256
52 HB1 ALA 8 HB1 ALA 8 13.832 -7.853 4.350
53 HB2 ALA 8 HB2 ALA 8 13.452 -8.069 2.641
54 HB3 ALA 8 HB3 ALA 8 12.157 -7.778 3.804
55 H GLY 9 HN GLY 9 13.329 -4.228 1.552
56 HA2 GLY 9 HA2 GLY 9 15.674 -5.258 0.123
57 HA3 GLY 9 HA1 GLY 9 14.560 -4.024 -0.461
58 H GLY 10 HN GLY 10 17.613 -4.537 0.689
59 HA2 GLY 10 HA2 GLY 10 18.095 -2.331 2.382
60 HA3 GLY 10 HA1 GLY 10 19.310 -3.156 1.406
61 H GLY 11 HN GLY 11 17.962 -2.678 -1.109
62 HA2 GLY 11 HA2 GLY 11 18.799 0.105 -1.509
63 HA3 GLY 11 HA1 GLY 11 18.565 -1.101 -2.771
64 H DBB 12 HN DBB 12 16.543 0.265 -0.161
65 HA DBB 12 HA DBB 12 14.358 0.983 -0.151
66 HB2 DBB 12 HB2 DBB 12 14.345 -0.534 -2.764
67 HG1 DBB 12 HG1 DBB 12 12.776 1.147 -3.200
68 HG2 DBB 12 HG2 DBB 12 12.245 1.227 -1.526
69 HG3 DBB 12 HG3 DBB 12 11.795 -0.154 -2.525
70 H DAL 13 HN DAL 13 16.171 1.510 -3.146
71 HA DAL 13 HA DAL 13 16.468 3.362 -4.436
72 HB1 DAL 13 HB2 DAL 13 16.161 4.306 -1.763
73 HB2 DAL 13 HB3 DAL 13 17.069 5.023 -3.085
74 H GLU 14 HN GLU 14 15.129 3.672 -6.234
75 HA GLU 14 HA GLU 14 12.624 4.995 -5.981
76 HB2 GLU 14 HB2 GLU 14 13.934 3.568 -8.302
77 HB3 GLU 14 HB1 GLU 14 12.421 4.468 -8.425
78 HG2 GLU 14 HG2 GLU 14 13.527 6.507 -7.671
79 HG3 GLU 14 HG1 GLU 14 15.037 5.630 -7.433
80 H GLN 15 HN GLN 15 13.543 1.795 -5.490
81 HA GLN 15 HA GLN 15 11.329 0.371 -6.510
82 HB2 GLN 15 HB2 GLN 15 13.351 -0.157 -4.358
83 HB3 GLN 15 HB1 GLN 15 11.977 -1.243 -4.548
84 HG2 GLN 15 HG2 GLN 15 12.578 -1.607 -6.902
85 HG3 GLN 15 HG1 GLN 15 13.920 -0.475 -6.745
86 HE21 GLN 15 HE21 GLN 15 14.854 -2.843 -7.518
87 HE22 GLN 15 HE22 GLN 15 15.477 -3.763 -6.236
88 H DBB 16 HN DBB 16 11.677 2.421 -3.737
89 HA DBB 16 HA DBB 16 9.212 1.432 -2.507
90 HB2 DBB 16 HB2 DBB 16 8.254 3.773 -2.530
91 HG1 DBB 16 HG1 DBB 16 7.124 3.331 -4.489
92 HG2 DBB 16 HG2 DBB 16 7.876 1.757 -4.225
93 HG3 DBB 16 HG3 DBB 16 8.592 2.896 -5.367
94 H GLY 17 HN GLY 17 9.121 1.801 -0.342
95 HA2 GLY 17 HA2 GLY 17 9.992 3.743 1.269
96 HA3 GLY 17 HA1 GLY 17 10.173 2.055 1.732
97 H DBU 18 HN DHB 18 11.923 4.129 2.570
98 HB DBU 18 HB DHB 18 15.915 3.328 2.312
99 HG1 DBU 18 HG1 DHB 18 15.213 1.429 3.741
100 HG2 DBU 18 HG2 DHB 18 13.596 1.457 3.039
101 HG3 DBU 18 HG3 DHB 18 14.965 0.896 2.079
102 H CYS 19 HN CYS 19 13.446 4.871 -0.332
103 HA CYS 19 HA CYS 19 14.398 7.562 0.404
104 HB2 CYS 19 HB2 CYS 19 15.766 7.743 -1.512
105 HB3 CYS 19 HB1 CYS 19 16.138 6.159 -0.846
106 H CYS 20 HN CYS 20 12.423 5.511 -1.651
107 HA CYS 20 HA CYS 20 11.274 6.959 -3.537
108 HB2 CYS 20 HB2 CYS 20 10.156 5.106 -1.547
109 HB3 CYS 20 HB1 CYS 20 8.967 6.191 -2.267
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 9.283 5.116 7.029
2 H2 GLY 1 HT2 GLY 1 10.476 4.036 7.575
3 H3 GLY 1 HT3 GLY 1 8.832 3.680 7.812
4 HA2 GLY 1 HA2 GLY 1 8.524 2.934 5.727
5 HA3 GLY 1 HA1 GLY 1 9.647 4.119 5.058
6 H ARG 2 HN ARG 2 11.998 3.761 5.949
7 HA ARG 2 HA ARG 2 13.768 2.333 5.275
8 HB2 ARG 2 HB2 ARG 2 12.645 1.285 7.881
9 HB3 ARG 2 HB1 ARG 2 14.234 0.857 7.247
10 HG2 ARG 2 HG2 ARG 2 13.334 3.710 7.738
11 HG3 ARG 2 HG1 ARG 2 14.268 2.764 8.898
12 HD2 ARG 2 HD2 ARG 2 16.032 2.441 7.180
13 HD3 ARG 2 HD1 ARG 2 15.112 3.448 6.070
14 HE ARG 2 HE ARG 2 15.842 4.628 8.651
15 HH11 ARG 2 HH11 ARG 2 16.389 4.273 5.251
16 HH12 ARG 2 HH12 ARG 2 17.317 5.727 5.108
17 HH21 ARG 2 HH21 ARG 2 17.060 6.538 8.469
18 HH22 ARG 2 HH22 ARG 2 17.698 7.009 6.928
19 H ILE 3 HN ILE 3 13.053 -0.463 6.840
20 HA ILE 3 HA ILE 3 12.908 -1.998 4.455
21 HB ILE 3 HB ILE 3 12.249 -2.872 7.276
22 HG12 ILE 3 HG12 ILE 3 14.460 -1.772 7.146
23 HG13 ILE 3 HG11 ILE 3 14.635 -3.509 7.396
24 HG21 ILE 3 HG21 ILE 3 13.086 -5.072 6.366
25 HG22 ILE 3 HG22 ILE 3 13.096 -4.336 4.762
26 HG23 ILE 3 HG23 ILE 3 11.577 -4.518 5.639
27 HD11 ILE 3 HD11 ILE 3 15.366 -1.859 5.051
28 HD12 ILE 3 HD12 ILE 3 14.586 -3.394 4.673
29 HD13 ILE 3 HD13 ILE 3 16.069 -3.372 5.628
30 H ASP 4 HN ASP 4 10.510 -0.589 6.535
31 HA ASP 4 HA ASP 4 8.303 -2.230 5.927
32 HB2 ASP 4 HB2 ASP 4 8.511 0.677 6.717
33 HB3 ASP 4 HB1 ASP 4 6.966 -0.145 6.503
34 H DBU 5 HN DHB 5 9.587 0.671 4.314
35 HB DBU 5 HB DHB 5 7.911 2.126 1.072
36 HG1 DBU 5 HG1 DHB 5 8.569 3.271 3.700
37 HG2 DBU 5 HG2 DHB 5 7.455 3.929 2.502
38 HG3 DBU 5 HG3 DHB 5 6.885 2.750 3.682
39 H CYS 6 HN CYS 6 10.871 -0.006 1.721
40 HA CYS 6 HA CYS 6 9.818 -1.938 -0.254
41 HB2 CYS 6 HB2 CYS 6 12.169 -1.639 -1.264
42 HB3 CYS 6 HB1 CYS 6 11.034 -0.303 -1.445
43 HA PRO 7 HA PRO 7 11.923 -4.388 3.084
44 HB2 PRO 7 HB2 PRO 7 10.113 -6.458 2.959
45 HB3 PRO 7 HB1 PRO 7 9.929 -5.043 4.013
46 HG2 PRO 7 HG2 PRO 7 8.666 -5.617 1.379
47 HG3 PRO 7 HG1 PRO 7 7.971 -4.866 2.827
48 HD2 PRO 7 HD2 PRO 7 8.768 -3.401 0.676
49 HD3 PRO 7 HD1 PRO 7 8.860 -2.777 2.338
50 H ALA 8 HN ALA 8 13.270 -6.171 2.809
51 HA ALA 8 HA ALA 8 14.343 -7.917 1.734
52 HB1 ALA 8 HB1 ALA 8 12.326 -7.633 -0.498
53 HB2 ALA 8 HB2 ALA 8 12.012 -8.563 0.967
54 HB3 ALA 8 HB3 ALA 8 13.324 -9.036 -0.113
55 H GLY 9 HN GLY 9 13.484 -4.956 0.153
56 HA2 GLY 9 HA2 GLY 9 15.534 -5.180 -1.900
57 HA3 GLY 9 HA1 GLY 9 14.463 -3.811 -1.633
58 H GLY 10 HN GLY 10 15.476 -4.376 1.357
59 HA2 GLY 10 HA2 GLY 10 16.947 -3.291 2.762
60 HA3 GLY 10 HA1 GLY 10 18.161 -3.674 1.546
61 H GLY 11 HN GLY 11 18.665 -2.144 -0.066
62 HA2 GLY 11 HA2 GLY 11 19.121 0.408 0.472
63 HA3 GLY 11 HA1 GLY 11 18.558 -0.051 -1.138
64 H DBB 12 HN DBB 12 16.461 0.325 -1.741
65 HA DBB 12 HA DBB 12 14.766 1.793 0.179
66 HB2 DBB 12 HB2 DBB 12 14.233 -0.369 -1.659
67 HG1 DBB 12 HG1 DBB 12 13.678 1.443 -3.244
68 HG2 DBB 12 HG2 DBB 12 12.584 2.136 -2.061
69 HG3 DBB 12 HG3 DBB 12 12.238 0.553 -2.746
70 H DAL 13 HN DAL 13 16.035 1.716 -3.105
71 HA DAL 13 HA DAL 13 16.688 3.544 -4.386
72 HB1 DAL 13 HB2 DAL 13 16.267 4.825 -2.063
73 HB2 DAL 13 HB3 DAL 13 16.583 5.658 -3.577
74 H GLU 14 HN GLU 14 15.694 3.555 -6.429
75 HA GLU 14 HA GLU 14 13.189 4.640 -6.961
76 HB2 GLU 14 HB2 GLU 14 14.770 2.555 -8.486
77 HB3 GLU 14 HB1 GLU 14 13.346 3.381 -9.121
78 HG2 GLU 14 HG2 GLU 14 15.857 4.773 -8.146
79 HG3 GLU 14 HG1 GLU 14 15.471 4.468 -9.838
80 H GLN 15 HN GLN 15 14.003 1.628 -5.548
81 HA GLN 15 HA GLN 15 11.796 0.062 -6.362
82 HB2 GLN 15 HB2 GLN 15 13.832 -0.076 -4.212
83 HB3 GLN 15 HB1 GLN 15 12.321 -0.928 -3.894
84 HG2 GLN 15 HG2 GLN 15 12.541 -2.127 -6.031
85 HG3 GLN 15 HG1 GLN 15 14.036 -1.257 -6.374
86 HE21 GLN 15 HE21 GLN 15 13.382 -4.248 -5.726
87 HE22 GLN 15 HE22 GLN 15 14.523 -4.636 -4.531
88 H DBB 16 HN DBB 16 12.086 2.677 -4.095
89 HA DBB 16 HA DBB 16 9.324 2.162 -3.156
90 HB2 DBB 16 HB2 DBB 16 8.842 4.535 -3.329
91 HG1 DBB 16 HG1 DBB 16 9.320 2.807 -5.483
92 HG2 DBB 16 HG2 DBB 16 10.042 4.344 -5.963
93 HG3 DBB 16 HG3 DBB 16 8.340 4.274 -5.501
94 H GLY 17 HN GLY 17 9.453 1.707 -1.046
95 HA2 GLY 17 HA2 GLY 17 9.863 3.304 1.032
96 HA3 GLY 17 HA1 GLY 17 10.406 1.631 1.100
97 H DBU 18 HN DHB 18 11.571 3.985 2.419
98 HB DBU 18 HB DHB 18 15.622 4.129 2.546
99 HG1 DBU 18 HG1 DHB 18 15.050 1.511 2.346
100 HG2 DBU 18 HG2 DHB 18 15.308 2.182 3.957
101 HG3 DBU 18 HG3 DHB 18 13.667 1.935 3.356
102 H CYS 19 HN CYS 19 13.408 4.958 -0.480
103 HA CYS 19 HA CYS 19 13.946 7.801 0.132
104 HB2 CYS 19 HB2 CYS 19 14.833 7.983 -2.145
105 HB3 CYS 19 HB1 CYS 19 15.684 6.729 -1.254
106 H CYS 20 HN CYS 20 11.539 5.683 -0.677
107 HA CYS 20 HA CYS 20 9.701 7.774 -1.341
108 HB2 CYS 20 HB2 CYS 20 9.046 6.643 -3.559
109 HB3 CYS 20 HB1 CYS 20 10.478 7.671 -3.563
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 5.919 6.902 4.074
2 H2 GLY 1 HT2 GLY 1 6.946 5.859 3.211
3 H3 GLY 1 HT3 GLY 1 7.556 7.301 3.874
4 HA2 GLY 1 HA2 GLY 1 7.464 6.515 6.044
5 HA3 GLY 1 HA1 GLY 1 6.362 5.215 5.590
6 H ARG 2 HN ARG 2 8.992 5.083 6.937
7 HA ARG 2 HA ARG 2 10.954 4.102 5.129
8 HB2 ARG 2 HB2 ARG 2 10.570 3.711 8.102
9 HB3 ARG 2 HB1 ARG 2 11.963 3.095 7.210
10 HG2 ARG 2 HG2 ARG 2 12.519 5.375 6.473
11 HG3 ARG 2 HG1 ARG 2 11.109 6.004 7.325
12 HD2 ARG 2 HD2 ARG 2 12.035 5.183 9.461
13 HD3 ARG 2 HD1 ARG 2 13.446 4.560 8.610
14 HE ARG 2 HE ARG 2 12.840 7.373 9.152
15 HH11 ARG 2 HH11 ARG 2 14.768 4.980 7.563
16 HH12 ARG 2 HH12 ARG 2 16.101 6.046 7.275
17 HH21 ARG 2 HH21 ARG 2 14.586 8.777 8.779
18 HH22 ARG 2 HH22 ARG 2 15.999 8.197 7.963
19 H ILE 3 HN ILE 3 11.642 1.935 4.811
20 HA ILE 3 HA ILE 3 11.235 -0.235 4.173
21 HB ILE 3 HB ILE 3 9.834 -0.131 6.850
22 HG12 ILE 3 HG12 ILE 3 12.201 -1.758 6.699
23 HG13 ILE 3 HG11 ILE 3 12.560 -0.163 6.036
24 HG21 ILE 3 HG21 ILE 3 10.476 -2.748 6.467
25 HG22 ILE 3 HG22 ILE 3 10.050 -2.279 4.820
26 HG23 ILE 3 HG23 ILE 3 8.882 -2.077 6.127
27 HD11 ILE 3 HD11 ILE 3 11.344 0.760 8.126
28 HD12 ILE 3 HD12 ILE 3 12.960 0.089 8.350
29 HD13 ILE 3 HD13 ILE 3 11.541 -0.864 8.787
30 H ASP 4 HN ASP 4 9.038 2.034 3.852
31 HA ASP 4 HA ASP 4 6.727 0.300 3.322
32 HB2 ASP 4 HB2 ASP 4 6.499 2.513 4.543
33 HB3 ASP 4 HB1 ASP 4 6.886 3.300 3.015
34 H DBU 5 HN DHB 5 6.799 -0.693 1.389
35 HB DBU 5 HB DHB 5 6.871 0.537 -2.542
36 HG1 DBU 5 HG1 DHB 5 4.695 1.587 -1.564
37 HG2 DBU 5 HG2 DHB 5 5.672 2.106 -0.190
38 HG3 DBU 5 HG3 DHB 5 5.997 2.754 -1.798
39 H CYS 6 HN CYS 6 9.726 -0.096 -0.049
40 HA CYS 6 HA CYS 6 10.109 -2.671 -1.431
41 HB2 CYS 6 HB2 CYS 6 12.339 -2.012 -1.925
42 HB3 CYS 6 HB1 CYS 6 11.336 -0.619 -2.297
43 HA PRO 7 HA PRO 7 10.712 -3.373 3.144
44 HB2 PRO 7 HB2 PRO 7 9.432 -5.829 3.076
45 HB3 PRO 7 HB1 PRO 7 8.637 -4.292 3.463
46 HG2 PRO 7 HG2 PRO 7 8.671 -5.816 0.910
47 HG3 PRO 7 HG1 PRO 7 7.357 -4.893 1.660
48 HD2 PRO 7 HD2 PRO 7 8.802 -3.915 -0.425
49 HD3 PRO 7 HD1 PRO 7 8.131 -2.861 0.840
50 H ALA 8 HN ALA 8 12.345 -4.625 4.002
51 HA ALA 8 HA ALA 8 14.210 -5.967 4.030
52 HB1 ALA 8 HB1 ALA 8 12.562 -7.545 2.040
53 HB2 ALA 8 HB2 ALA 8 12.639 -7.806 3.782
54 HB3 ALA 8 HB3 ALA 8 14.057 -8.118 2.779
55 H GLY 9 HN GLY 9 13.384 -4.041 1.552
56 HA2 GLY 9 HA2 GLY 9 15.368 -4.874 -0.398
57 HA3 GLY 9 HA1 GLY 9 14.353 -3.437 -0.488
58 H GLY 10 HN GLY 10 17.456 -4.594 0.123
59 HA2 GLY 10 HA2 GLY 10 18.457 -2.760 2.012
60 HA3 GLY 10 HA1 GLY 10 19.415 -3.559 0.766
61 H GLY 11 HN GLY 11 17.839 -2.551 -1.427
62 HA2 GLY 11 HA2 GLY 11 18.892 0.197 -1.506
63 HA3 GLY 11 HA1 GLY 11 18.534 -0.807 -2.910
64 H DBB 12 HN DBB 12 16.827 0.483 -0.044
65 HA DBB 12 HA DBB 12 14.675 1.270 0.202
66 HB2 DBB 12 HB2 DBB 12 14.456 -0.644 -1.914
67 HG1 DBB 12 HG1 DBB 12 14.100 1.287 -3.409
68 HG2 DBB 12 HG2 DBB 12 12.814 1.864 -2.352
69 HG3 DBB 12 HG3 DBB 12 12.624 0.341 -3.218
70 H DAL 13 HN DAL 13 16.107 1.777 -2.994
71 HA DAL 13 HA DAL 13 16.703 3.739 -4.020
72 HB1 DAL 13 HB2 DAL 13 16.154 4.612 -1.397
73 HB2 DAL 13 HB3 DAL 13 17.013 5.479 -2.660
74 H GLU 14 HN GLU 14 15.633 4.950 -5.715
75 HA GLU 14 HA GLU 14 12.984 5.725 -5.795
76 HB2 GLU 14 HB2 GLU 14 13.218 5.836 -8.187
77 HB3 GLU 14 HB1 GLU 14 14.770 6.285 -7.477
78 HG2 GLU 14 HG2 GLU 14 15.582 3.972 -7.807
79 HG3 GLU 14 HG1 GLU 14 14.041 3.544 -8.549
80 H GLN 15 HN GLN 15 14.221 2.545 -5.747
81 HA GLN 15 HA GLN 15 12.290 1.185 -7.292
82 HB2 GLN 15 HB2 GLN 15 14.401 0.154 -6.430
83 HB3 GLN 15 HB1 GLN 15 13.694 0.140 -4.815
84 HG2 GLN 15 HG2 GLN 15 11.858 -1.273 -5.594
85 HG3 GLN 15 HG1 GLN 15 12.484 -1.214 -7.240
86 HE21 GLN 15 HE21 GLN 15 12.179 -3.710 -5.883
87 HE22 GLN 15 HE22 GLN 15 13.722 -4.349 -5.582
88 H DBB 16 HN DBB 16 12.227 2.480 -4.037
89 HA DBB 16 HA DBB 16 9.743 1.149 -3.342
90 HB2 DBB 16 HB2 DBB 16 8.401 3.197 -3.230
91 HG1 DBB 16 HG1 DBB 16 7.994 3.413 -5.562
92 HG2 DBB 16 HG2 DBB 16 8.607 1.773 -5.343
93 HG3 DBB 16 HG3 DBB 16 9.668 3.035 -5.968
94 H GLY 17 HN GLY 17 9.578 0.976 -1.201
95 HA2 GLY 17 HA2 GLY 17 9.874 2.681 0.837
96 HA3 GLY 17 HA1 GLY 17 10.418 1.012 0.979
97 H DBU 18 HN DHB 18 11.625 3.044 2.445
98 HB DBU 18 HB DHB 18 15.668 3.202 2.502
99 HG1 DBU 18 HG1 DHB 18 15.166 1.062 3.684
100 HG2 DBU 18 HG2 DHB 18 13.708 0.849 2.717
101 HG3 DBU 18 HG3 DHB 18 15.295 0.683 1.967
102 H CYS 19 HN CYS 19 13.358 4.573 -0.280
103 HA CYS 19 HA CYS 19 13.737 7.267 0.873
104 HB2 CYS 19 HB2 CYS 19 15.194 7.894 -0.887
105 HB3 CYS 19 HB1 CYS 19 15.773 6.323 -0.347
106 H CYS 20 HN CYS 20 11.548 5.338 -0.509
107 HA CYS 20 HA CYS 20 10.555 7.088 -2.591
108 HB2 CYS 20 HB2 CYS 20 9.780 4.462 -1.440
109 HB3 CYS 20 HB1 CYS 20 8.486 5.427 -2.148
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 7.630 3.983 8.245
2 H2 GLY 1 HT2 GLY 1 6.655 3.985 6.853
3 H3 GLY 1 HT3 GLY 1 6.471 5.203 8.024
4 HA2 GLY 1 HA2 GLY 1 7.688 5.953 6.026
5 HA3 GLY 1 HA1 GLY 1 8.602 6.122 7.524
6 H ARG 2 HN ARG 2 10.234 4.551 8.020
7 HA ARG 2 HA ARG 2 11.770 3.749 5.766
8 HB2 ARG 2 HB2 ARG 2 12.019 3.003 8.689
9 HB3 ARG 2 HB1 ARG 2 13.229 2.658 7.449
10 HG2 ARG 2 HG2 ARG 2 12.214 5.440 8.105
11 HG3 ARG 2 HG1 ARG 2 13.703 4.754 8.756
12 HD2 ARG 2 HD2 ARG 2 14.606 4.491 6.503
13 HD3 ARG 2 HD1 ARG 2 13.095 5.063 5.802
14 HE ARG 2 HE ARG 2 14.268 6.953 7.635
15 HH11 ARG 2 HH11 ARG 2 14.269 5.695 4.411
16 HH12 ARG 2 HH12 ARG 2 14.887 7.148 3.697
17 HH21 ARG 2 HH21 ARG 2 15.079 8.860 6.705
18 HH22 ARG 2 HH22 ARG 2 15.345 8.940 4.997
19 H ILE 3 HN ILE 3 12.297 1.650 5.055
20 HA ILE 3 HA ILE 3 11.845 -0.511 4.436
21 HB ILE 3 HB ILE 3 10.405 -0.837 7.064
22 HG12 ILE 3 HG12 ILE 3 13.097 -1.596 7.376
23 HG13 ILE 3 HG11 ILE 3 13.150 -0.013 6.596
24 HG21 ILE 3 HG21 ILE 3 11.291 -3.113 6.891
25 HG22 ILE 3 HG22 ILE 3 12.166 -2.682 5.422
26 HG23 ILE 3 HG23 ILE 3 10.402 -2.710 5.423
27 HD11 ILE 3 HD11 ILE 3 12.420 -0.689 9.331
28 HD12 ILE 3 HD12 ILE 3 11.141 0.225 8.531
29 HD13 ILE 3 HD13 ILE 3 12.773 0.890 8.628
30 H ASP 4 HN ASP 4 9.595 1.814 4.740
31 HA ASP 4 HA ASP 4 7.261 0.131 4.168
32 HB2 ASP 4 HB2 ASP 4 7.164 2.121 5.743
33 HB3 ASP 4 HB1 ASP 4 7.367 3.146 4.324
34 H DBU 5 HN DHB 5 7.075 -0.528 2.109
35 HB DBU 5 HB DHB 5 6.726 1.315 -1.558
36 HG1 DBU 5 HG1 DHB 5 6.191 2.854 0.973
37 HG2 DBU 5 HG2 DHB 5 5.676 3.257 -0.664
38 HG3 DBU 5 HG3 DHB 5 4.776 2.066 0.274
39 H CYS 6 HN CYS 6 9.670 -0.228 0.938
40 HA CYS 6 HA CYS 6 9.785 -2.461 -0.983
41 HB2 CYS 6 HB2 CYS 6 11.942 -1.817 -1.754
42 HB3 CYS 6 HB1 CYS 6 10.962 -0.365 -1.828
43 HA PRO 7 HA PRO 7 11.097 -3.436 3.448
44 HB2 PRO 7 HB2 PRO 7 9.257 -5.710 2.924
45 HB3 PRO 7 HB1 PRO 7 9.379 -4.665 4.351
46 HG2 PRO 7 HG2 PRO 7 7.350 -4.442 2.646
47 HG3 PRO 7 HG1 PRO 7 8.068 -3.018 3.419
48 HD2 PRO 7 HD2 PRO 7 8.436 -4.022 0.612
49 HD3 PRO 7 HD1 PRO 7 8.300 -2.349 1.205
50 H ALA 8 HN ALA 8 12.702 -4.900 3.938
51 HA ALA 8 HA ALA 8 14.274 -6.552 3.650
52 HB1 ALA 8 HB1 ALA 8 12.966 -7.905 1.398
53 HB2 ALA 8 HB2 ALA 8 11.934 -7.723 2.816
54 HB3 ALA 8 HB3 ALA 8 13.486 -8.551 2.954
55 H GLY 9 HN GLY 9 13.326 -4.366 1.315
56 HA2 GLY 9 HA2 GLY 9 15.276 -5.157 -0.705
57 HA3 GLY 9 HA1 GLY 9 14.178 -3.785 -0.795
58 H GLY 10 HN GLY 10 17.088 -4.978 0.859
59 HA2 GLY 10 HA2 GLY 10 18.062 -2.970 2.304
60 HA3 GLY 10 HA1 GLY 10 19.098 -3.801 1.151
61 H GLY 11 HN GLY 11 17.642 -2.848 -1.186
62 HA2 GLY 11 HA2 GLY 11 18.766 -0.133 -1.284
63 HA3 GLY 11 HA1 GLY 11 18.383 -1.143 -2.675
64 H DBB 12 HN DBB 12 16.696 0.281 0.133
65 HA DBB 12 HA DBB 12 14.613 1.237 0.330
66 HB2 DBB 12 HB2 DBB 12 14.286 -0.793 -1.663
67 HG1 DBB 12 HG1 DBB 12 12.473 0.211 -2.988
68 HG2 DBB 12 HG2 DBB 12 13.988 1.081 -3.235
69 HG3 DBB 12 HG3 DBB 12 12.745 1.761 -2.194
70 H DAL 13 HN DAL 13 16.057 1.491 -2.903
71 HA DAL 13 HA DAL 13 16.602 3.348 -4.116
72 HB1 DAL 13 HB2 DAL 13 16.153 4.420 -1.510
73 HB2 DAL 13 HB3 DAL 13 17.099 5.098 -2.825
74 H GLU 14 HN GLU 14 15.453 4.605 -5.748
75 HA GLU 14 HA GLU 14 12.785 5.349 -5.690
76 HB2 GLU 14 HB2 GLU 14 14.408 6.028 -7.439
77 HB3 GLU 14 HB1 GLU 14 14.355 4.392 -8.096
78 HG2 GLU 14 HG2 GLU 14 12.824 5.771 -9.372
79 HG3 GLU 14 HG1 GLU 14 11.877 4.658 -8.393
80 H GLN 15 HN GLN 15 14.012 2.240 -5.520
81 HA GLN 15 HA GLN 15 12.106 0.794 -7.052
82 HB2 GLN 15 HB2 GLN 15 13.867 0.016 -4.727
83 HB3 GLN 15 HB1 GLN 15 12.822 -1.131 -5.559
84 HG2 GLN 15 HG2 GLN 15 13.952 -0.642 -7.683
85 HG3 GLN 15 HG1 GLN 15 14.966 0.557 -6.883
86 HE21 GLN 15 HE21 GLN 15 16.585 -1.189 -7.951
87 HE22 GLN 15 HE22 GLN 15 17.091 -2.412 -6.888
88 H DBB 16 HN DBB 16 12.024 2.300 -3.936
89 HA DBB 16 HA DBB 16 9.735 0.787 -2.995
90 HB2 DBB 16 HB2 DBB 16 8.055 2.264 -3.439
91 HG1 DBB 16 HG1 DBB 16 9.108 1.817 -5.626
92 HG2 DBB 16 HG2 DBB 16 10.125 3.239 -5.418
93 HG3 DBB 16 HG3 DBB 16 8.382 3.423 -5.582
94 H GLY 17 HN GLY 17 9.475 0.979 -0.824
95 HA2 GLY 17 HA2 GLY 17 9.879 2.960 0.942
96 HA3 GLY 17 HA1 GLY 17 10.336 1.298 1.319
97 H DBU 18 HN DHB 18 11.708 3.396 2.482
98 HB DBU 18 HB DHB 18 15.747 3.378 2.458
99 HG1 DBU 18 HG1 DHB 18 15.557 0.909 2.445
100 HG2 DBU 18 HG2 DHB 18 14.801 1.429 3.951
101 HG3 DBU 18 HG3 DHB 18 13.800 1.013 2.561
102 H CYS 19 HN CYS 19 13.345 4.540 -0.393
103 HA CYS 19 HA CYS 19 13.718 7.342 0.441
104 HB2 CYS 19 HB2 CYS 19 15.301 7.793 -1.232
105 HB3 CYS 19 HB1 CYS 19 15.829 6.247 -0.581
106 H CYS 20 HN CYS 20 12.715 5.134 -2.170
107 HA CYS 20 HA CYS 20 11.488 6.801 -3.934
108 HB2 CYS 20 HB2 CYS 20 10.515 4.929 -4.752
109 HB3 CYS 20 HB1 CYS 20 11.458 4.098 -3.524
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 7.279 4.330 8.282
2 H2 GLY 1 HT2 GLY 1 7.125 2.649 8.094
3 H3 GLY 1 HT3 GLY 1 5.869 3.680 7.600
4 HA2 GLY 1 HA2 GLY 1 6.835 3.254 5.591
5 HA3 GLY 1 HA1 GLY 1 7.705 4.706 6.085
6 H ARG 2 HN ARG 2 9.867 4.600 6.456
7 HA ARG 2 HA ARG 2 11.970 3.700 5.975
8 HB2 ARG 2 HB2 ARG 2 10.871 2.059 8.266
9 HB3 ARG 2 HB1 ARG 2 12.566 2.037 7.775
10 HG2 ARG 2 HG2 ARG 2 12.731 4.456 8.160
11 HG3 ARG 2 HG1 ARG 2 11.026 4.514 8.605
12 HD2 ARG 2 HD2 ARG 2 11.453 2.998 10.493
13 HD3 ARG 2 HD1 ARG 2 13.155 2.907 10.046
14 HE ARG 2 HE ARG 2 13.458 5.079 10.890
15 HH11 ARG 2 HH11 ARG 2 10.134 4.123 10.836
16 HH12 ARG 2 HH12 ARG 2 9.597 5.435 11.832
17 HH21 ARG 2 HH21 ARG 2 12.764 6.801 12.197
18 HH22 ARG 2 HH22 ARG 2 11.086 6.950 12.603
19 H ILE 3 HN ILE 3 11.047 0.579 7.117
20 HA ILE 3 HA ILE 3 12.019 -0.759 4.829
21 HB ILE 3 HB ILE 3 10.269 -1.696 7.105
22 HG12 ILE 3 HG12 ILE 3 13.182 -2.258 6.500
23 HG13 ILE 3 HG11 ILE 3 12.663 -0.906 7.509
24 HG21 ILE 3 HG21 ILE 3 10.116 -3.016 4.887
25 HG22 ILE 3 HG22 ILE 3 10.545 -3.921 6.340
26 HG23 ILE 3 HG23 ILE 3 11.797 -3.457 5.186
27 HD11 ILE 3 HD11 ILE 3 11.514 -2.457 9.024
28 HD12 ILE 3 HD12 ILE 3 13.218 -2.889 8.876
29 HD13 ILE 3 HD13 ILE 3 11.994 -3.817 8.010
30 H ASP 4 HN ASP 4 8.712 0.008 5.880
31 HA ASP 4 HA ASP 4 7.234 -1.413 4.040
32 HB2 ASP 4 HB2 ASP 4 6.794 1.374 5.130
33 HB3 ASP 4 HB1 ASP 4 5.597 0.515 4.163
34 H DBU 5 HN DHB 5 6.776 -1.265 1.894
35 HB DBU 5 HB DHB 5 7.053 1.215 -1.298
36 HG1 DBU 5 HG1 DHB 5 4.725 1.204 0.276
37 HG2 DBU 5 HG2 DHB 5 5.858 2.081 1.305
38 HG3 DBU 5 HG3 DHB 5 5.479 2.689 -0.307
39 H CYS 6 HN CYS 6 9.728 -0.445 1.412
40 HA CYS 6 HA CYS 6 10.622 -2.121 -0.850
41 HB2 CYS 6 HB2 CYS 6 11.547 0.239 -0.934
42 HB3 CYS 6 HB1 CYS 6 12.404 -0.129 0.558
43 HA PRO 7 HA PRO 7 11.203 -4.016 3.441
44 HB2 PRO 7 HB2 PRO 7 10.120 -6.368 1.991
45 HB3 PRO 7 HB1 PRO 7 9.676 -5.722 3.582
46 HG2 PRO 7 HG2 PRO 7 8.087 -5.466 1.441
47 HG3 PRO 7 HG1 PRO 7 8.177 -4.234 2.711
48 HD2 PRO 7 HD2 PRO 7 9.345 -4.189 -0.042
49 HD3 PRO 7 HD1 PRO 7 8.722 -2.848 0.943
50 H ALA 8 HN ALA 8 13.050 -5.117 3.941
51 HA ALA 8 HA ALA 8 15.195 -5.898 3.549
52 HB1 ALA 8 HB1 ALA 8 14.382 -7.938 1.640
53 HB2 ALA 8 HB2 ALA 8 13.283 -7.851 3.018
54 HB3 ALA 8 HB3 ALA 8 15.006 -8.122 3.280
55 H GLY 9 HN GLY 9 13.928 -3.978 1.474
56 HA2 GLY 9 HA2 GLY 9 15.614 -4.644 -0.850
57 HA3 GLY 9 HA1 GLY 9 14.287 -3.482 -0.848
58 H GLY 10 HN GLY 10 17.449 -4.045 0.726
59 HA2 GLY 10 HA2 GLY 10 18.152 -1.755 1.864
60 HA3 GLY 10 HA1 GLY 10 19.269 -2.551 0.758
61 H GLY 11 HN GLY 11 18.327 -2.149 -1.682
62 HA2 GLY 11 HA2 GLY 11 18.739 0.675 -2.115
63 HA3 GLY 11 HA1 GLY 11 18.501 -0.552 -3.357
64 H DBB 12 HN DBB 12 16.492 0.458 -0.606
65 HA DBB 12 HA DBB 12 14.265 0.966 -0.466
66 HB2 DBB 12 HB2 DBB 12 14.380 -0.364 -3.147
67 HG1 DBB 12 HG1 DBB 12 12.231 1.475 -2.144
68 HG2 DBB 12 HG2 DBB 12 11.810 0.083 -3.145
69 HG3 DBB 12 HG3 DBB 12 12.901 1.322 -3.767
70 H DAL 13 HN DAL 13 16.223 2.232 -3.047
71 HA DAL 13 HA DAL 13 16.452 4.523 -3.522
72 HB1 DAL 13 HB2 DAL 13 14.862 6.107 -2.797
73 HB2 DAL 13 HB3 DAL 13 13.614 4.879 -2.607
74 H GLU 14 HN GLU 14 16.161 2.862 -5.532
75 HA GLU 14 HA GLU 14 14.590 4.306 -7.440
76 HB2 GLU 14 HB2 GLU 14 16.758 3.226 -7.993
77 HB3 GLU 14 HB1 GLU 14 16.005 1.649 -7.754
78 HG2 GLU 14 HG2 GLU 14 14.403 2.107 -9.542
79 HG3 GLU 14 HG1 GLU 14 15.061 3.730 -9.747
80 H GLN 15 HN GLN 15 13.657 2.156 -5.149
81 HA GLN 15 HA GLN 15 11.442 1.150 -6.827
82 HB2 GLN 15 HB2 GLN 15 13.192 -0.237 -4.871
83 HB3 GLN 15 HB1 GLN 15 11.483 -0.679 -4.851
84 HG2 GLN 15 HG2 GLN 15 11.585 -1.104 -7.292
85 HG3 GLN 15 HG1 GLN 15 13.297 -0.686 -7.286
86 HE21 GLN 15 HE21 GLN 15 14.398 -2.649 -7.530
87 HE22 GLN 15 HE22 GLN 15 14.093 -4.043 -6.612
88 H DBB 16 HN DBB 16 11.614 3.638 -5.147
89 HA DBB 16 HA DBB 16 9.015 3.460 -4.009
90 HB2 DBB 16 HB2 DBB 16 10.133 5.559 -4.884
91 HG1 DBB 16 HG1 DBB 16 11.478 6.789 -3.112
92 HG2 DBB 16 HG2 DBB 16 12.270 5.454 -3.934
93 HG3 DBB 16 HG3 DBB 16 11.644 5.232 -2.312
94 H GLY 17 HN GLY 17 8.333 2.852 -2.057
95 HA2 GLY 17 HA2 GLY 17 8.438 2.668 0.301
96 HA3 GLY 17 HA1 GLY 17 9.441 1.324 -0.234
97 H DBU 18 HN DHB 18 10.885 1.341 1.483
98 HB DBU 18 HB DHB 18 14.115 2.480 3.160
99 HG1 DBU 18 HG1 DHB 18 12.350 0.067 2.507
100 HG2 DBU 18 HG2 DHB 18 14.072 0.058 2.123
101 HG3 DBU 18 HG3 DHB 18 13.544 0.171 3.803
102 H CYS 19 HN CYS 19 13.608 4.067 0.370
103 HA CYS 19 HA CYS 19 13.847 6.512 1.829
104 HB2 CYS 19 HB2 CYS 19 14.260 6.979 -0.959
105 HB3 CYS 19 HB1 CYS 19 15.463 6.862 0.317
106 H CYS 20 HN CYS 20 11.687 5.406 -0.733
107 HA CYS 20 HA CYS 20 10.483 7.532 -1.791
108 HB2 CYS 20 HB2 CYS 20 9.603 4.923 -1.121
109 HB3 CYS 20 HB1 CYS 20 8.326 6.028 -0.666
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 16.183 2.605 8.718
2 H2 GLY 1 HT2 GLY 1 16.014 4.152 9.397
3 H3 GLY 1 HT3 GLY 1 17.120 3.892 8.133
4 HA2 GLY 1 HA2 GLY 1 14.164 3.664 7.923
5 HA3 GLY 1 HA1 GLY 1 15.137 5.005 7.317
6 H ARG 2 HN ARG 2 17.085 2.425 6.985
7 HA ARG 2 HA ARG 2 16.789 2.320 4.154
8 HB2 ARG 2 HB2 ARG 2 18.954 2.008 5.318
9 HB3 ARG 2 HB1 ARG 2 18.362 0.475 5.958
10 HG2 ARG 2 HG2 ARG 2 18.226 -0.499 3.793
11 HG3 ARG 2 HG1 ARG 2 18.399 1.064 2.996
12 HD2 ARG 2 HD2 ARG 2 20.693 1.261 3.787
13 HD3 ARG 2 HD1 ARG 2 20.537 -0.228 4.714
14 HE ARG 2 HE ARG 2 19.956 -1.002 2.162
15 HH11 ARG 2 HH11 ARG 2 22.519 0.795 3.637
16 HH12 ARG 2 HH12 ARG 2 23.726 0.259 2.515
17 HH21 ARG 2 HH21 ARG 2 21.537 -1.724 0.700
18 HH22 ARG 2 HH22 ARG 2 23.170 -1.167 0.853
19 H ILE 3 HN ILE 3 15.271 0.656 6.714
20 HA ILE 3 HA ILE 3 14.413 -1.519 4.923
21 HB ILE 3 HB ILE 3 14.024 -1.275 7.913
22 HG12 ILE 3 HG12 ILE 3 16.420 -1.315 7.256
23 HG13 ILE 3 HG11 ILE 3 15.944 -2.800 8.085
24 HG21 ILE 3 HG21 ILE 3 13.704 -3.767 7.662
25 HG22 ILE 3 HG22 ILE 3 13.725 -3.538 5.913
26 HG23 ILE 3 HG23 ILE 3 12.448 -2.803 6.885
27 HD11 ILE 3 HD11 ILE 3 17.162 -3.566 6.209
28 HD12 ILE 3 HD12 ILE 3 16.440 -2.360 5.143
29 HD13 ILE 3 HD13 ILE 3 15.478 -3.726 5.710
30 H ASP 4 HN ASP 4 13.461 1.491 5.676
31 HA ASP 4 HA ASP 4 10.741 1.214 6.418
32 HB2 ASP 4 HB2 ASP 4 12.326 3.402 5.085
33 HB3 ASP 4 HB1 ASP 4 10.585 3.550 5.322
34 H DBU 5 HN DHB 5 8.884 1.001 5.216
35 HB DBU 5 HB DHB 5 7.015 0.818 1.786
36 HG1 DBU 5 HG1 DHB 5 5.727 2.274 3.322
37 HG2 DBU 5 HG2 DHB 5 7.170 2.591 4.284
38 HG3 DBU 5 HG3 DHB 5 7.011 3.297 2.676
39 H CYS 6 HN CYS 6 9.455 0.418 0.846
40 HA CYS 6 HA CYS 6 9.419 -2.059 -0.025
41 HB2 CYS 6 HB2 CYS 6 11.528 -1.751 -1.152
42 HB3 CYS 6 HB1 CYS 6 10.742 -0.180 -1.048
43 HA PRO 7 HA PRO 7 11.088 -4.105 3.710
44 HB2 PRO 7 HB2 PRO 7 9.789 -6.477 3.202
45 HB3 PRO 7 HB1 PRO 7 9.060 -5.117 4.076
46 HG2 PRO 7 HG2 PRO 7 8.736 -5.928 1.229
47 HG3 PRO 7 HG1 PRO 7 7.528 -5.328 2.377
48 HD2 PRO 7 HD2 PRO 7 8.623 -3.731 0.465
49 HD3 PRO 7 HD1 PRO 7 8.121 -3.105 2.053
50 H ALA 8 HN ALA 8 12.803 -5.522 3.894
51 HA ALA 8 HA ALA 8 14.724 -6.568 3.161
52 HB1 ALA 8 HB1 ALA 8 14.324 -8.635 1.990
53 HB2 ALA 8 HB2 ALA 8 12.773 -8.051 1.386
54 HB3 ALA 8 HB3 ALA 8 12.982 -8.382 3.106
55 H GLY 9 HN GLY 9 13.469 -4.275 1.448
56 HA2 GLY 9 HA2 GLY 9 14.476 -4.821 -1.207
57 HA3 GLY 9 HA1 GLY 9 13.817 -3.292 -0.631
58 H GLY 10 HN GLY 10 15.921 -4.020 1.696
59 HA2 GLY 10 HA2 GLY 10 17.952 -3.103 2.296
60 HA3 GLY 10 HA1 GLY 10 18.502 -3.787 0.770
61 H GLY 11 HN GLY 11 18.385 -2.477 -1.149
62 HA2 GLY 11 HA2 GLY 11 19.392 0.097 -0.897
63 HA3 GLY 11 HA1 GLY 11 18.617 -0.527 -2.351
64 H DBB 12 HN DBB 12 16.102 -1.009 -0.858
65 HA DBB 12 HA DBB 12 14.836 0.953 0.422
66 HB2 DBB 12 HB2 DBB 12 14.043 -1.105 -1.364
67 HG1 DBB 12 HG1 DBB 12 12.033 0.031 -2.390
68 HG2 DBB 12 HG2 DBB 12 13.581 0.475 -3.104
69 HG3 DBB 12 HG3 DBB 12 12.780 1.575 -1.985
70 H DAL 13 HN DAL 13 15.985 1.101 -2.868
71 HA DAL 13 HA DAL 13 16.442 2.881 -4.221
72 HB1 DAL 13 HB2 DAL 13 15.935 4.224 -1.623
73 HB2 DAL 13 HB3 DAL 13 17.320 4.325 -2.702
74 H GLU 14 HN GLU 14 15.213 4.392 -5.647
75 HA GLU 14 HA GLU 14 12.601 5.209 -5.299
76 HB2 GLU 14 HB2 GLU 14 14.037 4.379 -7.827
77 HB3 GLU 14 HB1 GLU 14 12.456 5.160 -7.811
78 HG2 GLU 14 HG2 GLU 14 13.383 7.092 -6.643
79 HG3 GLU 14 HG1 GLU 14 14.959 6.309 -6.548
80 H GLN 15 HN GLN 15 13.698 2.034 -5.419
81 HA GLN 15 HA GLN 15 11.511 0.778 -6.750
82 HB2 GLN 15 HB2 GLN 15 13.578 -0.247 -4.790
83 HB3 GLN 15 HB1 GLN 15 12.378 -1.280 -5.568
84 HG2 GLN 15 HG2 GLN 15 13.215 -0.635 -7.773
85 HG3 GLN 15 HG1 GLN 15 14.369 0.474 -7.032
86 HE21 GLN 15 HE21 GLN 15 15.779 -1.186 -8.453
87 HE22 GLN 15 HE22 GLN 15 16.392 -2.508 -7.583
88 H DBB 16 HN DBB 16 11.335 2.663 -4.182
89 HA DBB 16 HA DBB 16 9.415 0.963 -2.709
90 HB2 DBB 16 HB2 DBB 16 7.733 2.523 -2.835
91 HG1 DBB 16 HG1 DBB 16 9.430 3.283 -5.223
92 HG2 DBB 16 HG2 DBB 16 7.703 3.593 -5.052
93 HG3 DBB 16 HG3 DBB 16 8.296 1.935 -5.153
94 H GLY 17 HN GLY 17 9.105 1.517 -0.492
95 HA2 GLY 17 HA2 GLY 17 9.924 3.400 1.148
96 HA3 GLY 17 HA1 GLY 17 10.282 1.724 1.547
97 H DBU 18 HN DHB 18 11.791 4.226 2.134
98 HB DBU 18 HB DHB 18 15.848 3.710 1.834
99 HG1 DBU 18 HG1 DHB 18 15.648 1.361 2.287
100 HG2 DBU 18 HG2 DHB 18 14.731 2.016 3.643
101 HG3 DBU 18 HG3 DHB 18 13.889 1.430 2.209
102 H CYS 19 HN CYS 19 13.831 4.661 -0.962
103 HA CYS 19 HA CYS 19 14.136 7.551 -0.446
104 HB2 CYS 19 HB2 CYS 19 15.904 7.752 -1.970
105 HB3 CYS 19 HB1 CYS 19 16.291 6.269 -1.111
106 H CYS 20 HN CYS 20 12.037 5.426 -1.554
107 HA CYS 20 HA CYS 20 11.430 6.731 -4.109
108 HB2 CYS 20 HB2 CYS 20 10.219 4.879 -4.644
109 HB3 CYS 20 HB1 CYS 20 11.226 4.145 -3.399
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 8.557 5.339 4.909
2 H2 GLY 1 HT2 GLY 1 7.645 3.906 4.918
3 H3 GLY 1 HT3 GLY 1 9.121 3.971 4.081
4 HA2 GLY 1 HA2 GLY 1 9.582 4.712 6.750
5 HA3 GLY 1 HA1 GLY 1 8.683 3.193 6.720
6 H ARG 2 HN ARG 2 11.116 4.581 4.511
7 HA ARG 2 HA ARG 2 12.855 3.463 3.430
8 HB2 ARG 2 HB2 ARG 2 13.482 3.157 6.375
9 HB3 ARG 2 HB1 ARG 2 14.648 2.907 5.076
10 HG2 ARG 2 HG2 ARG 2 14.343 5.218 4.320
11 HG3 ARG 2 HG1 ARG 2 13.116 5.479 5.559
12 HD2 ARG 2 HD2 ARG 2 15.221 6.381 6.361
13 HD3 ARG 2 HD1 ARG 2 14.831 4.943 7.300
14 HE ARG 2 HE ARG 2 16.439 4.212 5.086
15 HH11 ARG 2 HH11 ARG 2 16.540 5.909 8.098
16 HH12 ARG 2 HH12 ARG 2 18.217 5.585 8.385
17 HH21 ARG 2 HH21 ARG 2 18.639 3.780 5.454
18 HH22 ARG 2 HH22 ARG 2 19.406 4.379 6.887
19 H ILE 3 HN ILE 3 13.161 1.375 6.203
20 HA ILE 3 HA ILE 3 13.279 -0.979 4.641
21 HB ILE 3 HB ILE 3 12.726 -0.732 7.606
22 HG12 ILE 3 HG12 ILE 3 15.393 -1.121 6.227
23 HG13 ILE 3 HG11 ILE 3 14.792 0.471 6.695
24 HG21 ILE 3 HG21 ILE 3 12.581 -2.969 6.050
25 HG22 ILE 3 HG22 ILE 3 13.060 -2.984 7.747
26 HG23 ILE 3 HG23 ILE 3 14.291 -2.978 6.483
27 HD11 ILE 3 HD11 ILE 3 15.246 -1.880 8.557
28 HD12 ILE 3 HD12 ILE 3 14.577 -0.320 9.040
29 HD13 ILE 3 HD13 ILE 3 16.239 -0.426 8.460
30 H ASP 4 HN ASP 4 10.701 0.417 6.645
31 HA ASP 4 HA ASP 4 8.842 -1.684 6.337
32 HB2 ASP 4 HB2 ASP 4 8.658 1.212 7.071
33 HB3 ASP 4 HB1 ASP 4 7.179 0.315 6.738
34 H DBU 5 HN DHB 5 9.563 1.163 4.365
35 HB DBU 5 HB DHB 5 7.308 1.929 1.183
36 HG1 DBU 5 HG1 DHB 5 7.395 3.790 3.104
37 HG2 DBU 5 HG2 DHB 5 5.845 2.996 2.820
38 HG3 DBU 5 HG3 DHB 5 6.873 2.474 4.157
39 H CYS 6 HN CYS 6 10.832 0.107 2.581
40 HA CYS 6 HA CYS 6 10.824 -1.007 -0.064
41 HB2 CYS 6 HB2 CYS 6 12.822 0.012 1.125
42 HB3 CYS 6 HB1 CYS 6 12.896 -1.467 2.084
43 HA PRO 7 HA PRO 7 9.273 -4.992 1.091
44 HB2 PRO 7 HB2 PRO 7 9.960 -6.353 -1.176
45 HB3 PRO 7 HB1 PRO 7 8.610 -5.204 -1.105
46 HG2 PRO 7 HG2 PRO 7 11.349 -4.842 -2.200
47 HG3 PRO 7 HG1 PRO 7 9.799 -4.224 -2.797
48 HD2 PRO 7 HD2 PRO 7 11.606 -2.706 -1.368
49 HD3 PRO 7 HD1 PRO 7 9.861 -2.374 -1.419
50 H ALA 8 HN ALA 8 11.563 -4.546 2.465
51 HA ALA 8 HA ALA 8 13.090 -5.853 3.630
52 HB1 ALA 8 HB1 ALA 8 12.926 -8.083 3.404
53 HB2 ALA 8 HB2 ALA 8 13.415 -8.018 1.711
54 HB3 ALA 8 HB3 ALA 8 11.725 -7.775 2.152
55 H GLY 9 HN GLY 9 13.289 -4.668 0.509
56 HA2 GLY 9 HA2 GLY 9 15.984 -5.407 -0.137
57 HA3 GLY 9 HA1 GLY 9 15.031 -4.151 -0.920
58 H GLY 10 HN GLY 10 17.835 -4.512 0.537
59 HA2 GLY 10 HA2 GLY 10 17.924 -2.598 2.613
60 HA3 GLY 10 HA1 GLY 10 19.301 -3.137 1.657
61 H GLY 11 HN GLY 11 18.366 -2.327 -0.892
62 HA2 GLY 11 HA2 GLY 11 19.216 0.373 -0.938
63 HA3 GLY 11 HA1 GLY 11 18.497 -0.501 -2.287
64 H DBB 12 HN DBB 12 16.015 -1.138 -1.065
65 HA DBB 12 HA DBB 12 14.514 0.709 0.193
66 HB2 DBB 12 HB2 DBB 12 13.776 -0.807 -2.328
67 HG1 DBB 12 HG1 DBB 12 12.009 0.666 -0.355
68 HG2 DBB 12 HG2 DBB 12 11.447 -0.335 -1.694
69 HG3 DBB 12 HG3 DBB 12 12.326 1.161 -2.017
70 H DAL 13 HN DAL 13 16.087 1.143 -2.851
71 HA DAL 13 HA DAL 13 16.231 2.926 -4.292
72 HB1 DAL 13 HB2 DAL 13 15.425 4.283 -1.723
73 HB2 DAL 13 HB3 DAL 13 17.017 4.225 -2.479
74 H GLU 14 HN GLU 14 14.912 4.149 -5.756
75 HA GLU 14 HA GLU 14 12.346 5.038 -5.486
76 HB2 GLU 14 HB2 GLU 14 13.615 3.693 -7.879
77 HB3 GLU 14 HB1 GLU 14 12.072 4.546 -7.938
78 HG2 GLU 14 HG2 GLU 14 13.532 6.252 -8.537
79 HG3 GLU 14 HG1 GLU 14 13.446 6.485 -6.793
80 H GLN 15 HN GLN 15 13.393 1.802 -5.291
81 HA GLN 15 HA GLN 15 11.175 0.366 -6.213
82 HB2 GLN 15 HB2 GLN 15 13.101 -0.216 -3.955
83 HB3 GLN 15 HB1 GLN 15 11.909 -1.374 -4.547
84 HG2 GLN 15 HG2 GLN 15 12.889 -1.269 -6.792
85 HG3 GLN 15 HG1 GLN 15 14.049 -0.061 -6.247
86 HE21 GLN 15 HE21 GLN 15 13.792 -3.323 -6.862
87 HE22 GLN 15 HE22 GLN 15 14.998 -3.895 -5.814
88 H DBB 16 HN DBB 16 11.605 2.298 -3.359
89 HA DBB 16 HA DBB 16 9.310 1.198 -1.974
90 HB2 DBB 16 HB2 DBB 16 8.241 3.607 -2.058
91 HG1 DBB 16 HG1 DBB 16 7.648 2.417 -4.620
92 HG2 DBB 16 HG2 DBB 16 6.666 2.446 -3.155
93 HG3 DBB 16 HG3 DBB 16 7.844 1.158 -3.401
94 H GLY 17 HN GLY 17 9.559 1.501 0.153
95 HA2 GLY 17 HA2 GLY 17 10.320 3.787 1.500
96 HA3 GLY 17 HA1 GLY 17 10.538 2.160 2.135
97 H DBU 18 HN DHB 18 12.169 4.906 1.660
98 HB DBU 18 HB DHB 18 16.223 3.991 1.634
99 HG1 DBU 18 HG1 DHB 18 15.525 1.552 1.986
100 HG2 DBU 18 HG2 DHB 18 15.539 2.433 3.514
101 HG3 DBU 18 HG3 DHB 18 14.012 2.130 2.685
102 H CYS 19 HN CYS 19 13.536 4.954 -1.066
103 HA CYS 19 HA CYS 19 14.064 7.805 -0.897
104 HB2 CYS 19 HB2 CYS 19 15.824 7.918 -2.452
105 HB3 CYS 19 HB1 CYS 19 16.281 6.575 -1.404
106 H CYS 20 HN CYS 20 11.786 6.037 -1.471
107 HA CYS 20 HA CYS 20 11.222 6.086 -4.263
108 HB2 CYS 20 HB2 CYS 20 9.940 5.173 -1.871
109 HB3 CYS 20 HB1 CYS 20 8.795 6.149 -2.791
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 7.630 6.189 5.484
2 H2 GLY 1 HT2 GLY 1 9.242 6.700 5.313
3 H3 GLY 1 HT3 GLY 1 8.403 6.995 6.760
4 HA2 GLY 1 HA2 GLY 1 9.565 5.187 7.428
5 HA3 GLY 1 HA1 GLY 1 8.158 4.386 6.727
6 H ARG 2 HN ARG 2 11.418 4.280 6.798
7 HA ARG 2 HA ARG 2 12.209 3.998 4.108
8 HB2 ARG 2 HB2 ARG 2 13.303 2.799 6.658
9 HB3 ARG 2 HB1 ARG 2 14.083 2.614 5.087
10 HG2 ARG 2 HG2 ARG 2 14.312 5.028 4.863
11 HG3 ARG 2 HG1 ARG 2 13.407 5.283 6.356
12 HD2 ARG 2 HD2 ARG 2 16.018 3.755 6.186
13 HD3 ARG 2 HD1 ARG 2 15.889 5.445 6.661
14 HE ARG 2 HE ARG 2 14.147 3.979 8.293
15 HH11 ARG 2 HH11 ARG 2 17.526 4.256 7.595
16 HH12 ARG 2 HH12 ARG 2 18.034 3.796 9.185
17 HH21 ARG 2 HH21 ARG 2 14.806 3.375 10.381
18 HH22 ARG 2 HH22 ARG 2 16.494 3.297 10.763
19 H ILE 3 HN ILE 3 10.989 1.637 6.461
20 HA ILE 3 HA ILE 3 11.242 -0.620 4.735
21 HB ILE 3 HB ILE 3 9.500 -0.172 7.170
22 HG12 ILE 3 HG12 ILE 3 11.954 -0.014 7.550
23 HG13 ILE 3 HG11 ILE 3 11.260 -1.439 8.325
24 HG21 ILE 3 HG21 ILE 3 8.515 -2.112 6.575
25 HG22 ILE 3 HG22 ILE 3 10.070 -2.897 6.852
26 HG23 ILE 3 HG23 ILE 3 9.638 -2.341 5.235
27 HD11 ILE 3 HD11 ILE 3 13.270 -1.286 6.227
28 HD12 ILE 3 HD12 ILE 3 11.905 -2.290 5.736
29 HD13 ILE 3 HD13 ILE 3 12.791 -2.667 7.215
30 H ASP 4 HN ASP 4 8.915 1.917 5.048
31 HA ASP 4 HA ASP 4 6.681 0.568 3.899
32 HB2 ASP 4 HB2 ASP 4 6.631 2.724 5.242
33 HB3 ASP 4 HB1 ASP 4 7.226 3.537 3.794
34 H DBU 5 HN DHB 5 6.973 -0.401 1.951
35 HB DBU 5 HB DHB 5 7.369 0.953 -1.909
36 HG1 DBU 5 HG1 DHB 5 5.140 1.992 -1.146
37 HG2 DBU 5 HG2 DHB 5 5.911 2.375 0.392
38 HG3 DBU 5 HG3 DHB 5 6.461 3.161 -1.087
39 H CYS 6 HN CYS 6 10.076 0.321 0.633
40 HA CYS 6 HA CYS 6 10.835 -1.849 -1.086
41 HB2 CYS 6 HB2 CYS 6 12.222 0.209 -0.154
42 HB3 CYS 6 HB1 CYS 6 12.592 -0.925 1.146
43 HA PRO 7 HA PRO 7 9.549 -4.868 2.024
44 HB2 PRO 7 HB2 PRO 7 9.988 -7.031 0.387
45 HB3 PRO 7 HB1 PRO 7 8.508 -6.054 0.358
46 HG2 PRO 7 HG2 PRO 7 10.875 -5.958 -1.447
47 HG3 PRO 7 HG1 PRO 7 9.151 -5.822 -1.836
48 HD2 PRO 7 HD2 PRO 7 10.774 -3.639 -1.683
49 HD3 PRO 7 HD1 PRO 7 9.055 -3.577 -1.238
50 H ALA 8 HN ALA 8 11.287 -4.645 3.465
51 HA ALA 8 HA ALA 8 13.371 -5.022 4.396
52 HB1 ALA 8 HB1 ALA 8 11.994 -7.369 4.084
53 HB2 ALA 8 HB2 ALA 8 13.509 -7.205 4.973
54 HB3 ALA 8 HB3 ALA 8 13.527 -7.745 3.294
55 H GLY 9 HN GLY 9 13.251 -4.186 1.470
56 HA2 GLY 9 HA2 GLY 9 15.681 -5.386 0.380
57 HA3 GLY 9 HA1 GLY 9 14.640 -4.216 -0.426
58 H GLY 10 HN GLY 10 17.644 -4.567 0.715
59 HA2 GLY 10 HA2 GLY 10 18.127 -2.276 2.296
60 HA3 GLY 10 HA1 GLY 10 19.332 -3.135 1.344
61 H GLY 11 HN GLY 11 18.032 -2.782 -1.196
62 HA2 GLY 11 HA2 GLY 11 18.861 -0.030 -1.723
63 HA3 GLY 11 HA1 GLY 11 18.534 -1.273 -2.929
64 H DBB 12 HN DBB 12 16.591 0.070 -0.255
65 HA DBB 12 HA DBB 12 14.419 0.830 -0.208
66 HB2 DBB 12 HB2 DBB 12 14.393 -0.576 -2.885
67 HG1 DBB 12 HG1 DBB 12 11.810 -0.170 -2.503
68 HG2 DBB 12 HG2 DBB 12 12.797 1.043 -3.321
69 HG3 DBB 12 HG3 DBB 12 12.382 1.246 -1.619
70 H DAL 13 HN DAL 13 16.136 1.398 -3.258
71 HA DAL 13 HA DAL 13 16.501 3.331 -4.449
72 HB1 DAL 13 HB2 DAL 13 16.097 4.205 -1.729
73 HB2 DAL 13 HB3 DAL 13 17.109 4.915 -2.986
74 H GLU 14 HN GLU 14 15.181 3.566 -6.206
75 HA GLU 14 HA GLU 14 12.681 4.916 -6.050
76 HB2 GLU 14 HB2 GLU 14 13.993 3.340 -8.272
77 HB3 GLU 14 HB1 GLU 14 12.483 4.231 -8.467
78 HG2 GLU 14 HG2 GLU 14 15.101 5.449 -7.539
79 HG3 GLU 14 HG1 GLU 14 14.469 5.558 -9.180
80 H GLN 15 HN GLN 15 13.599 1.647 -5.625
81 HA GLN 15 HA GLN 15 11.360 0.241 -6.514
82 HB2 GLN 15 HB2 GLN 15 13.448 -0.203 -4.439
83 HB3 GLN 15 HB1 GLN 15 12.002 -1.209 -4.360
84 HG2 GLN 15 HG2 GLN 15 12.320 -1.875 -6.706
85 HG3 GLN 15 HG1 GLN 15 13.751 -0.850 -6.811
86 HE21 GLN 15 HE21 GLN 15 15.719 -1.631 -5.863
87 HE22 GLN 15 HE22 GLN 15 15.858 -3.186 -5.196
88 H DBB 16 HN DBB 16 11.732 2.389 -3.826
89 HA DBB 16 HA DBB 16 9.223 1.496 -2.599
90 HB2 DBB 16 HB2 DBB 16 8.368 3.867 -2.635
91 HG1 DBB 16 HG1 DBB 16 8.318 3.566 -5.416
92 HG2 DBB 16 HG2 DBB 16 7.155 2.909 -4.266
93 HG3 DBB 16 HG3 DBB 16 8.521 1.929 -4.794
94 H GLY 17 HN GLY 17 9.127 1.868 -0.434
95 HA2 GLY 17 HA2 GLY 17 10.042 3.750 1.202
96 HA3 GLY 17 HA1 GLY 17 10.212 2.051 1.639
97 H DBU 18 HN DHB 18 11.976 4.218 2.401
98 HB DBU 18 HB DHB 18 15.964 3.367 2.176
99 HG1 DBU 18 HG1 DHB 18 15.093 1.533 3.692
100 HG2 DBU 18 HG2 DHB 18 13.616 1.460 2.730
101 HG3 DBU 18 HG3 DHB 18 15.150 0.939 2.032
102 H CYS 19 HN CYS 19 13.455 4.958 -0.448
103 HA CYS 19 HA CYS 19 14.450 7.628 0.301
104 HB2 CYS 19 HB2 CYS 19 15.743 7.830 -1.707
105 HB3 CYS 19 HB1 CYS 19 16.220 6.317 -0.938
106 H CYS 20 HN CYS 20 12.397 5.616 -1.681
107 HA CYS 20 HA CYS 20 11.301 7.129 -3.584
108 HB2 CYS 20 HB2 CYS 20 10.101 5.276 -1.604
109 HB3 CYS 20 HB1 CYS 20 8.978 6.301 -2.499
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 18.094 2.332 10.845
2 H2 GLY 1 HT2 GLY 1 16.747 2.014 11.831
3 H3 GLY 1 HT3 GLY 1 16.631 3.142 10.565
4 HA2 GLY 1 HA2 GLY 1 17.333 0.334 10.003
5 HA3 GLY 1 HA1 GLY 1 15.648 0.816 10.206
6 H ARG 2 HN ARG 2 18.435 0.940 8.162
7 HA ARG 2 HA ARG 2 17.613 2.964 6.359
8 HB2 ARG 2 HB2 ARG 2 19.427 0.569 6.028
9 HB3 ARG 2 HB1 ARG 2 19.177 1.773 4.763
10 HG2 ARG 2 HG2 ARG 2 19.969 3.547 6.255
11 HG3 ARG 2 HG1 ARG 2 20.159 2.383 7.567
12 HD2 ARG 2 HD2 ARG 2 22.326 2.768 6.522
13 HD3 ARG 2 HD1 ARG 2 21.795 1.126 6.172
14 HE ARG 2 HE ARG 2 21.545 1.723 3.921
15 HH11 ARG 2 HH11 ARG 2 22.153 4.464 5.945
16 HH12 ARG 2 HH12 ARG 2 22.447 5.546 4.626
17 HH21 ARG 2 HH21 ARG 2 21.931 3.137 2.185
18 HH22 ARG 2 HH22 ARG 2 22.322 4.795 2.498
19 H ILE 3 HN ILE 3 16.972 -0.503 6.532
20 HA ILE 3 HA ILE 3 15.457 -0.449 4.039
21 HB ILE 3 HB ILE 3 15.820 -2.727 5.996
22 HG12 ILE 3 HG12 ILE 3 17.331 -2.589 3.435
23 HG13 ILE 3 HG11 ILE 3 17.872 -1.516 4.726
24 HG21 ILE 3 HG21 ILE 3 14.531 -3.906 4.575
25 HG22 ILE 3 HG22 ILE 3 15.520 -3.406 3.202
26 HG23 ILE 3 HG23 ILE 3 14.171 -2.400 3.729
27 HD11 ILE 3 HD11 ILE 3 17.333 -4.059 5.895
28 HD12 ILE 3 HD12 ILE 3 18.892 -3.252 5.728
29 HD13 ILE 3 HD13 ILE 3 18.319 -4.333 4.458
30 H ASP 4 HN ASP 4 14.732 0.857 6.783
31 HA ASP 4 HA ASP 4 12.382 -0.404 7.725
32 HB2 ASP 4 HB2 ASP 4 13.547 2.346 7.948
33 HB3 ASP 4 HB1 ASP 4 11.887 2.070 8.474
34 H DBU 5 HN DHB 5 12.968 1.979 5.177
35 HB DBU 5 HB DHB 5 9.971 3.608 3.193
36 HG1 DBU 5 HG1 DHB 5 10.207 5.036 5.337
37 HG2 DBU 5 HG2 DHB 5 11.843 4.395 5.498
38 HG3 DBU 5 HG3 DHB 5 11.429 5.426 4.128
39 H CYS 6 HN CYS 6 12.571 0.593 2.886
40 HA CYS 6 HA CYS 6 10.408 -0.632 1.387
41 HB2 CYS 6 HB2 CYS 6 13.407 -0.912 1.370
42 HB3 CYS 6 HB1 CYS 6 12.373 -2.010 0.456
43 HA PRO 7 HA PRO 7 9.891 -4.037 4.136
44 HB2 PRO 7 HB2 PRO 7 8.658 -5.780 2.438
45 HB3 PRO 7 HB1 PRO 7 7.854 -4.345 3.103
46 HG2 PRO 7 HG2 PRO 7 9.023 -4.784 0.408
47 HG3 PRO 7 HG1 PRO 7 7.575 -3.877 0.881
48 HD2 PRO 7 HD2 PRO 7 10.018 -2.710 0.275
49 HD3 PRO 7 HD1 PRO 7 8.770 -1.947 1.284
50 H ALA 8 HN ALA 8 12.517 -3.910 3.276
51 HA ALA 8 HA ALA 8 14.300 -5.421 3.452
52 HB1 ALA 8 HB1 ALA 8 12.897 -7.743 2.316
53 HB2 ALA 8 HB2 ALA 8 12.199 -7.140 3.819
54 HB3 ALA 8 HB3 ALA 8 13.894 -7.624 3.766
55 H GLY 9 HN GLY 9 13.443 -3.785 1.206
56 HA2 GLY 9 HA2 GLY 9 14.046 -5.340 -1.183
57 HA3 GLY 9 HA1 GLY 9 13.644 -3.627 -1.122
58 H GLY 10 HN GLY 10 15.930 -4.294 1.212
59 HA2 GLY 10 HA2 GLY 10 18.238 -4.101 1.330
60 HA3 GLY 10 HA1 GLY 10 18.301 -4.221 -0.425
61 H GLY 11 HN GLY 11 18.483 -2.392 -1.633
62 HA2 GLY 11 HA2 GLY 11 19.414 -0.013 -0.472
63 HA3 GLY 11 HA1 GLY 11 18.863 -0.179 -2.136
64 H DBB 12 HN DBB 12 16.194 -0.896 -1.679
65 HA DBB 12 HA DBB 12 14.849 0.822 0.132
66 HB2 DBB 12 HB2 DBB 12 13.991 -1.294 -1.163
67 HG1 DBB 12 HG1 DBB 12 14.435 0.330 -3.314
68 HG2 DBB 12 HG2 DBB 12 12.716 0.602 -3.030
69 HG3 DBB 12 HG3 DBB 12 13.316 -1.032 -3.312
70 H DAL 13 HN DAL 13 16.494 1.467 -2.744
71 HA DAL 13 HA DAL 13 16.622 3.300 -4.128
72 HB1 DAL 13 HB2 DAL 13 16.009 4.318 -1.425
73 HB2 DAL 13 HB3 DAL 13 17.304 4.766 -2.536
74 H GLU 14 HN GLU 14 15.325 4.873 -5.379
75 HA GLU 14 HA GLU 14 12.623 5.368 -5.144
76 HB2 GLU 14 HB2 GLU 14 14.119 6.397 -6.843
77 HB3 GLU 14 HB1 GLU 14 14.104 4.877 -7.738
78 HG2 GLU 14 HG2 GLU 14 12.429 6.288 -8.730
79 HG3 GLU 14 HG1 GLU 14 11.578 5.054 -7.802
80 H GLN 15 HN GLN 15 14.101 2.370 -5.590
81 HA GLN 15 HA GLN 15 12.187 1.035 -7.201
82 HB2 GLN 15 HB2 GLN 15 14.143 0.047 -5.120
83 HB3 GLN 15 HB1 GLN 15 13.121 -1.034 -6.066
84 HG2 GLN 15 HG2 GLN 15 14.068 -0.133 -8.148
85 HG3 GLN 15 HG1 GLN 15 15.072 0.980 -7.218
86 HE21 GLN 15 HE21 GLN 15 15.301 -1.875 -8.852
87 HE22 GLN 15 HE22 GLN 15 16.531 -2.625 -7.955
88 H DBB 16 HN DBB 16 11.888 2.395 -4.158
89 HA DBB 16 HA DBB 16 9.954 0.446 -3.155
90 HB2 DBB 16 HB2 DBB 16 8.059 1.759 -3.347
91 HG1 DBB 16 HG1 DBB 16 7.903 2.424 -5.589
92 HG2 DBB 16 HG2 DBB 16 9.238 1.271 -5.611
93 HG3 DBB 16 HG3 DBB 16 9.569 3.003 -5.633
94 H GLY 17 HN GLY 17 8.783 1.817 -1.172
95 HA2 GLY 17 HA2 GLY 17 9.240 3.307 0.673
96 HA3 GLY 17 HA1 GLY 17 10.001 1.771 1.071
97 H DBU 18 HN DHB 18 11.933 2.158 1.977
98 HB DBU 18 HB DHB 18 15.581 3.391 1.943
99 HG1 DBU 18 HG1 DHB 18 14.651 1.283 3.390
100 HG2 DBU 18 HG2 DHB 18 14.032 0.780 1.817
101 HG3 DBU 18 HG3 DHB 18 15.767 0.989 2.057
102 H CYS 19 HN CYS 19 14.051 4.394 -0.771
103 HA CYS 19 HA CYS 19 13.671 7.186 0.131
104 HB2 CYS 19 HB2 CYS 19 15.337 7.869 -1.395
105 HB3 CYS 19 HB1 CYS 19 15.986 6.398 -0.670
106 H CYS 20 HN CYS 20 12.363 4.760 -1.809
107 HA CYS 20 HA CYS 20 11.429 6.309 -4.010
108 HB2 CYS 20 HB2 CYS 20 10.703 4.315 -4.739
109 HB3 CYS 20 HB1 CYS 20 11.378 3.614 -3.269
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 15.476 0.030 11.047
2 H2 GLY 1 HT2 GLY 1 16.413 -1.223 10.384
3 H3 GLY 1 HT3 GLY 1 15.233 -1.570 11.556
4 HA2 GLY 1 HA2 GLY 1 14.305 -2.209 9.499
5 HA3 GLY 1 HA1 GLY 1 13.528 -0.695 9.963
6 H ARG 2 HN ARG 2 16.366 -1.904 8.173
7 HA ARG 2 HA ARG 2 16.896 0.445 6.726
8 HB2 ARG 2 HB2 ARG 2 17.431 -2.462 6.106
9 HB3 ARG 2 HB1 ARG 2 18.008 -1.143 5.087
10 HG2 ARG 2 HG2 ARG 2 19.244 -0.186 6.959
11 HG3 ARG 2 HG1 ARG 2 18.600 -1.414 8.050
12 HD2 ARG 2 HD2 ARG 2 20.848 -2.060 7.362
13 HD3 ARG 2 HD1 ARG 2 19.681 -3.170 6.648
14 HE ARG 2 HE ARG 2 20.181 -2.282 4.535
15 HH11 ARG 2 HH11 ARG 2 21.655 -0.494 7.104
16 HH12 ARG 2 HH12 ARG 2 22.699 0.413 6.060
17 HH21 ARG 2 HH21 ARG 2 21.546 -1.097 3.159
18 HH22 ARG 2 HH22 ARG 2 22.636 0.073 3.826
19 H ILE 3 HN ILE 3 14.677 -2.221 6.121
20 HA ILE 3 HA ILE 3 13.994 -1.664 3.458
21 HB ILE 3 HB ILE 3 12.051 -2.995 3.824
22 HG12 ILE 3 HG12 ILE 3 11.322 -1.654 5.857
23 HG13 ILE 3 HG11 ILE 3 11.073 -3.389 5.985
24 HG21 ILE 3 HG21 ILE 3 12.980 -4.939 4.924
25 HG22 ILE 3 HG22 ILE 3 14.111 -3.940 5.836
26 HG23 ILE 3 HG23 ILE 3 14.298 -4.114 4.091
27 HD11 ILE 3 HD11 ILE 3 13.306 -1.761 7.218
28 HD12 ILE 3 HD12 ILE 3 13.328 -3.521 7.146
29 HD13 ILE 3 HD13 ILE 3 12.067 -2.693 8.055
30 H ASP 4 HN ASP 4 12.761 -0.324 6.501
31 HA ASP 4 HA ASP 4 10.997 1.214 6.793
32 HB2 ASP 4 HB2 ASP 4 13.235 2.536 5.263
33 HB3 ASP 4 HB1 ASP 4 11.873 3.448 5.909
34 H DBU 5 HN DHB 5 9.829 -0.310 5.019
35 HB DBU 5 HB DHB 5 7.022 1.026 2.460
36 HG1 DBU 5 HG1 DHB 5 7.053 1.066 5.436
37 HG2 DBU 5 HG2 DHB 5 7.317 2.669 4.749
38 HG3 DBU 5 HG3 DHB 5 5.846 1.777 4.365
39 H CYS 6 HN CYS 6 10.840 -1.034 3.252
40 HA CYS 6 HA CYS 6 10.519 -1.579 0.387
41 HB2 CYS 6 HB2 CYS 6 12.103 0.209 0.325
42 HB3 CYS 6 HB1 CYS 6 13.014 -0.464 1.677
43 HA PRO 7 HA PRO 7 11.608 -5.232 3.100
44 HB2 PRO 7 HB2 PRO 7 9.473 -6.770 2.317
45 HB3 PRO 7 HB1 PRO 7 9.434 -5.662 3.702
46 HG2 PRO 7 HG2 PRO 7 8.365 -5.292 0.952
47 HG3 PRO 7 HG1 PRO 7 7.687 -4.785 2.508
48 HD2 PRO 7 HD2 PRO 7 8.991 -3.069 0.815
49 HD3 PRO 7 HD1 PRO 7 8.949 -2.852 2.579
50 H ALA 8 HN ALA 8 12.153 -4.339 0.179
51 HA ALA 8 HA ALA 8 12.478 -7.034 -0.994
52 HB1 ALA 8 HB1 ALA 8 11.241 -5.859 -2.568
53 HB2 ALA 8 HB2 ALA 8 12.887 -5.551 -3.123
54 HB3 ALA 8 HB3 ALA 8 12.026 -4.325 -2.192
55 H GLY 9 HN GLY 9 14.096 -4.109 -0.001
56 HA2 GLY 9 HA2 GLY 9 16.655 -5.416 -0.009
57 HA3 GLY 9 HA1 GLY 9 16.519 -4.194 -1.273
58 H GLY 10 HN GLY 10 18.310 -4.121 0.974
59 HA2 GLY 10 HA2 GLY 10 17.380 -2.447 3.059
60 HA3 GLY 10 HA1 GLY 10 19.063 -2.675 2.603
61 H GLY 11 HN GLY 11 18.705 -1.788 -0.136
62 HA2 GLY 11 HA2 GLY 11 19.223 0.967 0.173
63 HA3 GLY 11 HA1 GLY 11 18.884 0.155 -1.356
64 H DBB 12 HN DBB 12 16.288 -0.795 -0.724
65 HA DBB 12 HA DBB 12 14.379 0.790 0.314
66 HB2 DBB 12 HB2 DBB 12 14.417 -0.710 -2.303
67 HG1 DBB 12 HG1 DBB 12 12.854 0.876 -2.911
68 HG2 DBB 12 HG2 DBB 12 12.370 1.200 -1.247
69 HG3 DBB 12 HG3 DBB 12 11.818 -0.268 -2.054
70 H DAL 13 HN DAL 13 16.445 1.599 -2.359
71 HA DAL 13 HA DAL 13 16.665 3.492 -3.631
72 HB1 DAL 13 HB2 DAL 13 15.447 4.575 -1.102
73 HB2 DAL 13 HB3 DAL 13 17.106 4.692 -1.675
74 H GLU 14 HN GLU 14 15.459 3.737 -5.508
75 HA GLU 14 HA GLU 14 12.839 4.863 -5.466
76 HB2 GLU 14 HB2 GLU 14 12.907 4.545 -7.887
77 HB3 GLU 14 HB1 GLU 14 14.435 5.218 -7.322
78 HG2 GLU 14 HG2 GLU 14 15.385 2.906 -7.275
79 HG3 GLU 14 HG1 GLU 14 13.879 2.310 -7.969
80 H GLN 15 HN GLN 15 14.001 1.724 -4.991
81 HA GLN 15 HA GLN 15 12.010 0.155 -6.230
82 HB2 GLN 15 HB2 GLN 15 13.989 -0.237 -4.039
83 HB3 GLN 15 HB1 GLN 15 12.648 -1.383 -4.131
84 HG2 GLN 15 HG2 GLN 15 14.499 -0.675 -6.427
85 HG3 GLN 15 HG1 GLN 15 14.605 -2.142 -5.455
86 HE21 GLN 15 HE21 GLN 15 13.573 -1.220 -8.408
87 HE22 GLN 15 HE22 GLN 15 12.238 -2.249 -8.605
88 H DBB 16 HN DBB 16 11.752 2.397 -3.740
89 HA DBB 16 HA DBB 16 9.422 1.055 -2.532
90 HB2 DBB 16 HB2 DBB 16 8.361 3.469 -2.662
91 HG1 DBB 16 HG1 DBB 16 6.971 2.543 -4.209
92 HG2 DBB 16 HG2 DBB 16 7.939 1.098 -3.915
93 HG3 DBB 16 HG3 DBB 16 8.293 2.130 -5.301
94 H GLY 17 HN GLY 17 8.947 1.702 -0.424
95 HA2 GLY 17 HA2 GLY 17 9.585 3.747 1.131
96 HA3 GLY 17 HA1 GLY 17 9.832 2.108 1.719
97 H DBU 18 HN DHB 18 11.331 4.762 2.053
98 HB DBU 18 HB DHB 18 15.393 4.156 2.376
99 HG1 DBU 18 HG1 DHB 18 14.757 1.650 2.423
100 HG2 DBU 18 HG2 DHB 18 14.615 2.408 4.009
101 HG3 DBU 18 HG3 DHB 18 13.172 2.134 3.031
102 H CYS 19 HN CYS 19 13.480 5.059 -0.664
103 HA CYS 19 HA CYS 19 13.663 7.956 -0.224
104 HB2 CYS 19 HB2 CYS 19 15.640 8.229 -1.435
105 HB3 CYS 19 HB1 CYS 19 15.983 6.806 -0.472
106 H CYS 20 HN CYS 20 12.023 5.566 -1.613
107 HA CYS 20 HA CYS 20 11.754 5.849 -4.289
108 HB2 CYS 20 HB2 CYS 20 10.084 4.962 -2.187
109 HB3 CYS 20 HB1 CYS 20 9.109 6.047 -3.179
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 15.042 1.155 10.391
2 H2 GLY 1 HT2 GLY 1 14.491 -0.211 9.545
3 H3 GLY 1 HT3 GLY 1 14.253 -0.093 11.224
4 HA2 GLY 1 HA2 GLY 1 12.182 0.473 10.445
5 HA3 GLY 1 HA1 GLY 1 12.955 2.047 10.639
6 H ARG 2 HN ARG 2 14.791 1.455 8.357
7 HA ARG 2 HA ARG 2 13.278 2.667 6.293
8 HB2 ARG 2 HB2 ARG 2 15.952 1.257 6.260
9 HB3 ARG 2 HB1 ARG 2 15.279 2.109 4.870
10 HG2 ARG 2 HG2 ARG 2 15.158 4.186 6.193
11 HG3 ARG 2 HG1 ARG 2 15.824 3.339 7.588
12 HD2 ARG 2 HD2 ARG 2 17.241 3.537 4.921
13 HD3 ARG 2 HD1 ARG 2 17.521 4.653 6.255
14 HE ARG 2 HE ARG 2 18.022 2.396 7.510
15 HH11 ARG 2 HH11 ARG 2 18.762 3.275 4.245
16 HH12 ARG 2 HH12 ARG 2 20.173 2.275 4.150
17 HH21 ARG 2 HH21 ARG 2 19.871 1.081 7.391
18 HH22 ARG 2 HH22 ARG 2 20.802 1.033 5.932
19 H ILE 3 HN ILE 3 14.231 -0.679 6.926
20 HA ILE 3 HA ILE 3 13.413 -1.823 4.499
21 HB ILE 3 HB ILE 3 13.391 -3.010 7.284
22 HG12 ILE 3 HG12 ILE 3 15.594 -2.159 6.489
23 HG13 ILE 3 HG11 ILE 3 15.576 -3.916 6.636
24 HG21 ILE 3 HG21 ILE 3 12.137 -4.557 6.105
25 HG22 ILE 3 HG22 ILE 3 13.759 -5.120 5.700
26 HG23 ILE 3 HG23 ILE 3 12.861 -4.120 4.557
27 HD11 ILE 3 HD11 ILE 3 16.418 -3.835 4.516
28 HD12 ILE 3 HD12 ILE 3 15.764 -2.227 4.209
29 HD13 ILE 3 HD13 ILE 3 14.722 -3.642 4.073
30 H ASP 4 HN ASP 4 11.560 -0.151 6.685
31 HA ASP 4 HA ASP 4 9.179 -1.677 6.805
32 HB2 ASP 4 HB2 ASP 4 9.868 1.211 7.188
33 HB3 ASP 4 HB1 ASP 4 8.173 0.738 7.085
34 H DBU 5 HN DHB 5 10.386 0.710 4.475
35 HB DBU 5 HB DHB 5 8.003 1.730 1.443
36 HG1 DBU 5 HG1 DHB 5 8.318 3.747 2.964
37 HG2 DBU 5 HG2 DHB 5 6.825 2.903 3.381
38 HG3 DBU 5 HG3 DHB 5 8.274 2.669 4.359
39 H CYS 6 HN CYS 6 11.352 -0.187 2.244
40 HA CYS 6 HA CYS 6 10.390 -2.072 0.198
41 HB2 CYS 6 HB2 CYS 6 13.289 -1.488 0.539
42 HB3 CYS 6 HB1 CYS 6 12.354 -1.729 -0.937
43 HA PRO 7 HA PRO 7 11.513 -4.961 3.563
44 HB2 PRO 7 HB2 PRO 7 9.786 -6.922 2.759
45 HB3 PRO 7 HB1 PRO 7 9.300 -5.554 3.779
46 HG2 PRO 7 HG2 PRO 7 8.912 -5.968 0.860
47 HG3 PRO 7 HG1 PRO 7 7.818 -5.254 2.055
48 HD2 PRO 7 HD2 PRO 7 9.335 -3.758 0.315
49 HD3 PRO 7 HD1 PRO 7 8.815 -3.168 1.909
50 H ALA 8 HN ALA 8 13.287 -6.198 3.355
51 HA ALA 8 HA ALA 8 14.715 -7.827 2.546
52 HB1 ALA 8 HB1 ALA 8 13.931 -9.435 1.112
53 HB2 ALA 8 HB2 ALA 8 13.139 -8.261 0.061
54 HB3 ALA 8 HB3 ALA 8 12.387 -8.725 1.586
55 H GLY 9 HN GLY 9 13.540 -5.178 0.698
56 HA2 GLY 9 HA2 GLY 9 15.318 -5.244 -1.499
57 HA3 GLY 9 HA1 GLY 9 14.517 -3.806 -0.871
58 H GLY 10 HN GLY 10 15.612 -3.926 1.768
59 HA2 GLY 10 HA2 GLY 10 17.514 -3.417 2.986
60 HA3 GLY 10 HA1 GLY 10 18.484 -3.976 1.626
61 H GLY 11 HN GLY 11 17.279 -2.245 -0.334
62 HA2 GLY 11 HA2 GLY 11 18.717 0.215 0.326
63 HA3 GLY 11 HA1 GLY 11 18.125 -0.254 -1.266
64 H DBB 12 HN DBB 12 16.028 0.253 -1.874
65 HA DBB 12 HA DBB 12 14.418 1.800 0.059
66 HB2 DBB 12 HB2 DBB 12 13.743 -0.258 -1.809
67 HG1 DBB 12 HG1 DBB 12 12.327 2.362 -2.350
68 HG2 DBB 12 HG2 DBB 12 12.065 0.818 -3.158
69 HG3 DBB 12 HG3 DBB 12 13.578 1.692 -3.397
70 H DAL 13 HN DAL 13 15.757 1.825 -3.210
71 HA DAL 13 HA DAL 13 16.464 3.672 -4.440
72 HB1 DAL 13 HB2 DAL 13 16.237 4.813 -2.001
73 HB2 DAL 13 HB3 DAL 13 16.586 5.729 -3.468
74 H GLU 14 HN GLU 14 15.451 4.157 -6.363
75 HA GLU 14 HA GLU 14 12.923 5.317 -6.654
76 HB2 GLU 14 HB2 GLU 14 13.090 4.734 -8.997
77 HB3 GLU 14 HB1 GLU 14 14.686 5.216 -8.423
78 HG2 GLU 14 HG2 GLU 14 15.272 2.828 -8.095
79 HG3 GLU 14 HG1 GLU 14 13.693 2.367 -8.728
80 H GLN 15 HN GLN 15 13.733 2.175 -5.707
81 HA GLN 15 HA GLN 15 11.635 0.668 -6.861
82 HB2 GLN 15 HB2 GLN 15 13.533 0.334 -4.604
83 HB3 GLN 15 HB1 GLN 15 12.063 -0.639 -4.544
84 HG2 GLN 15 HG2 GLN 15 12.515 -1.507 -6.790
85 HG3 GLN 15 HG1 GLN 15 13.950 -0.492 -6.913
86 HE21 GLN 15 HE21 GLN 15 15.698 -1.923 -6.767
87 HE22 GLN 15 HE22 GLN 15 15.875 -3.101 -5.557
88 H DBB 16 HN DBB 16 11.785 2.810 -4.104
89 HA DBB 16 HA DBB 16 9.080 2.043 -3.258
90 HB2 DBB 16 HB2 DBB 16 8.258 4.337 -3.399
91 HG1 DBB 16 HG1 DBB 16 7.903 4.366 -5.711
92 HG2 DBB 16 HG2 DBB 16 8.323 2.680 -5.410
93 HG3 DBB 16 HG3 DBB 16 9.530 3.785 -6.067
94 H GLY 17 HN GLY 17 9.283 1.685 -1.146
95 HA2 GLY 17 HA2 GLY 17 9.675 3.482 0.832
96 HA3 GLY 17 HA1 GLY 17 10.154 1.797 1.007
97 H DBU 18 HN DHB 18 11.565 3.628 2.420
98 HB DBU 18 HB DHB 18 15.579 3.690 2.363
99 HG1 DBU 18 HG1 DHB 18 15.544 1.402 2.893
100 HG2 DBU 18 HG2 DHB 18 13.911 1.631 3.516
101 HG3 DBU 18 HG3 DHB 18 14.155 1.187 1.827
102 H CYS 19 HN CYS 19 13.588 4.983 -0.460
103 HA CYS 19 HA CYS 19 14.228 7.690 0.519
104 HB2 CYS 19 HB2 CYS 19 14.956 8.122 -1.811
105 HB3 CYS 19 HB1 CYS 19 15.833 6.780 -1.077
106 H CYS 20 HN CYS 20 12.217 6.136 -1.999
107 HA CYS 20 HA CYS 20 10.752 8.036 -3.078
108 HB2 CYS 20 HB2 CYS 20 9.650 5.591 -1.686
109 HB3 CYS 20 HB1 CYS 20 8.667 6.638 -2.711
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 15.347 4.914 7.135
2 H2 GLY 1 HT2 GLY 1 13.671 4.787 6.892
3 H3 GLY 1 HT3 GLY 1 14.503 6.177 6.383
4 HA2 GLY 1 HA2 GLY 1 13.862 4.407 4.644
5 HA3 GLY 1 HA1 GLY 1 15.467 5.138 4.586
6 H ARG 2 HN ARG 2 16.892 3.597 4.060
7 HA ARG 2 HA ARG 2 18.054 1.618 4.056
8 HB2 ARG 2 HB2 ARG 2 18.322 2.342 6.467
9 HB3 ARG 2 HB1 ARG 2 16.984 1.259 6.857
10 HG2 ARG 2 HG2 ARG 2 18.282 -0.581 6.677
11 HG3 ARG 2 HG1 ARG 2 19.014 -0.018 5.175
12 HD2 ARG 2 HD2 ARG 2 20.743 -0.167 6.876
13 HD3 ARG 2 HD1 ARG 2 20.449 1.529 6.511
14 HE ARG 2 HE ARG 2 18.847 0.623 8.711
15 HH11 ARG 2 HH11 ARG 2 22.006 1.648 7.733
16 HH12 ARG 2 HH12 ARG 2 22.449 2.240 9.300
17 HH21 ARG 2 HH21 ARG 2 19.422 1.397 10.767
18 HH22 ARG 2 HH22 ARG 2 20.986 2.098 11.016
19 H ILE 3 HN ILE 3 15.510 0.543 6.269
20 HA ILE 3 HA ILE 3 14.595 -1.355 4.182
21 HB ILE 3 HB ILE 3 14.854 -1.825 7.161
22 HG12 ILE 3 HG12 ILE 3 16.199 -3.597 5.229
23 HG13 ILE 3 HG11 ILE 3 16.809 -1.942 5.216
24 HG21 ILE 3 HG21 ILE 3 14.386 -4.224 5.776
25 HG22 ILE 3 HG22 ILE 3 13.233 -3.073 5.101
26 HG23 ILE 3 HG23 ILE 3 13.256 -3.384 6.837
27 HD11 ILE 3 HD11 ILE 3 16.560 -3.743 7.643
28 HD12 ILE 3 HD12 ILE 3 17.070 -2.055 7.692
29 HD13 ILE 3 HD13 ILE 3 18.060 -3.251 6.856
30 H ASP 4 HN ASP 4 13.706 1.364 5.578
31 HA ASP 4 HA ASP 4 11.015 0.583 6.413
32 HB2 ASP 4 HB2 ASP 4 12.417 2.322 7.639
33 HB3 ASP 4 HB1 ASP 4 12.145 3.378 6.255
34 H DBU 5 HN DHB 5 9.633 0.204 4.776
35 HB DBU 5 HB DHB 5 7.960 2.441 1.764
36 HG1 DBU 5 HG1 DHB 5 8.921 4.392 3.282
37 HG2 DBU 5 HG2 DHB 5 7.252 3.919 3.599
38 HG3 DBU 5 HG3 DHB 5 8.550 3.324 4.637
39 H CYS 6 HN CYS 6 11.296 0.223 2.142
40 HA CYS 6 HA CYS 6 9.845 -1.719 0.443
41 HB2 CYS 6 HB2 CYS 6 12.253 -1.694 -0.707
42 HB3 CYS 6 HB1 CYS 6 11.026 -0.508 -1.131
43 HA PRO 7 HA PRO 7 12.073 -4.004 3.850
44 HB2 PRO 7 HB2 PRO 7 9.723 -5.778 3.424
45 HB3 PRO 7 HB1 PRO 7 10.403 -5.153 4.938
46 HG2 PRO 7 HG2 PRO 7 8.117 -4.211 3.953
47 HG3 PRO 7 HG1 PRO 7 9.282 -3.154 4.773
48 HD2 PRO 7 HD2 PRO 7 8.742 -3.440 1.836
49 HD3 PRO 7 HD1 PRO 7 9.125 -1.985 2.777
50 H ALA 8 HN ALA 8 13.406 -5.756 3.577
51 HA ALA 8 HA ALA 8 14.430 -7.565 2.571
52 HB1 ALA 8 HB1 ALA 8 12.434 -7.940 0.438
53 HB2 ALA 8 HB2 ALA 8 11.781 -8.030 2.074
54 HB3 ALA 8 HB3 ALA 8 13.090 -9.105 1.588
55 H GLY 9 HN GLY 9 13.553 -4.703 1.059
56 HA2 GLY 9 HA2 GLY 9 14.907 -5.226 -1.467
57 HA3 GLY 9 HA1 GLY 9 14.149 -3.712 -0.978
58 H GLY 10 HN GLY 10 15.861 -4.480 1.642
59 HA2 GLY 10 HA2 GLY 10 17.818 -3.697 2.569
60 HA3 GLY 10 HA1 GLY 10 18.561 -4.104 1.028
61 H GLY 11 HN GLY 11 18.501 -2.508 -0.691
62 HA2 GLY 11 HA2 GLY 11 19.383 0.011 0.016
63 HA3 GLY 11 HA1 GLY 11 18.664 -0.370 -1.549
64 H DBB 12 HN DBB 12 16.441 0.012 -1.890
65 HA DBB 12 HA DBB 12 15.046 1.533 0.215
66 HB2 DBB 12 HB2 DBB 12 14.185 -0.616 -1.355
67 HG1 DBB 12 HG1 DBB 12 13.902 0.814 -3.284
68 HG2 DBB 12 HG2 DBB 12 13.033 2.010 -2.325
69 HG3 DBB 12 HG3 DBB 12 12.304 0.435 -2.641
70 H DAL 13 HN DAL 13 16.096 1.577 -3.131
71 HA DAL 13 HA DAL 13 16.665 3.451 -4.375
72 HB1 DAL 13 HB2 DAL 13 16.381 4.618 -1.978
73 HB2 DAL 13 HB3 DAL 13 16.627 5.517 -3.469
74 H GLU 14 HN GLU 14 15.571 4.329 -6.229
75 HA GLU 14 HA GLU 14 12.943 5.066 -6.468
76 HB2 GLU 14 HB2 GLU 14 14.680 3.656 -8.509
77 HB3 GLU 14 HB1 GLU 14 13.180 4.504 -8.877
78 HG2 GLU 14 HG2 GLU 14 15.608 5.765 -7.571
79 HG3 GLU 14 HG1 GLU 14 15.176 5.930 -9.273
80 H GLN 15 HN GLN 15 14.104 1.987 -5.713
81 HA GLN 15 HA GLN 15 12.276 0.283 -6.994
82 HB2 GLN 15 HB2 GLN 15 14.336 0.028 -5.083
83 HB3 GLN 15 HB1 GLN 15 12.881 -0.624 -4.323
84 HG2 GLN 15 HG2 GLN 15 13.978 -2.409 -5.552
85 HG3 GLN 15 HG1 GLN 15 12.474 -1.994 -6.374
86 HE21 GLN 15 HE21 GLN 15 12.938 -2.255 -8.578
87 HE22 GLN 15 HE22 GLN 15 14.274 -1.565 -9.365
88 H DBB 16 HN DBB 16 11.913 2.476 -4.338
89 HA DBB 16 HA DBB 16 9.361 1.281 -3.521
90 HB2 DBB 16 HB2 DBB 16 8.106 2.747 -4.694
91 HG1 DBB 16 HG1 DBB 16 9.323 4.548 -6.073
92 HG2 DBB 16 HG2 DBB 16 9.699 2.862 -6.432
93 HG3 DBB 16 HG3 DBB 16 10.812 3.827 -5.464
94 H GLY 17 HN GLY 17 9.152 1.398 -1.395
95 HA2 GLY 17 HA2 GLY 17 9.458 3.497 0.312
96 HA3 GLY 17 HA1 GLY 17 9.726 1.830 0.801
97 H DBU 18 HN DHB 18 11.264 3.084 2.288
98 HB DBU 18 HB DHB 18 15.229 2.922 2.563
99 HG1 DBU 18 HG1 DHB 18 14.193 1.006 3.889
100 HG2 DBU 18 HG2 DHB 18 12.956 0.849 2.643
101 HG3 DBU 18 HG3 DHB 18 14.635 0.449 2.274
102 H CYS 19 HN CYS 19 12.757 4.520 -0.345
103 HA CYS 19 HA CYS 19 13.679 7.159 0.571
104 HB2 CYS 19 HB2 CYS 19 15.035 7.514 -1.373
105 HB3 CYS 19 HB1 CYS 19 15.537 5.976 -0.672
106 H CYS 20 HN CYS 20 11.963 5.247 -1.870
107 HA CYS 20 HA CYS 20 10.704 7.537 -3.077
108 HB2 CYS 20 HB2 CYS 20 10.104 6.061 -4.659
109 HB3 CYS 20 HB1 CYS 20 11.054 4.869 -3.792
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 17.782 4.211 8.144
2 H2 GLY 1 HT2 GLY 1 16.152 4.102 8.610
3 H3 GLY 1 HT3 GLY 1 16.561 4.217 6.964
4 HA2 GLY 1 HA2 GLY 1 17.747 1.992 8.407
5 HA3 GLY 1 HA1 GLY 1 16.002 1.916 8.164
6 H ARG 2 HN ARG 2 18.380 0.462 6.924
7 HA ARG 2 HA ARG 2 18.621 1.225 4.212
8 HB2 ARG 2 HB2 ARG 2 18.995 -1.446 5.581
9 HB3 ARG 2 HB1 ARG 2 19.402 -1.145 3.892
10 HG2 ARG 2 HG2 ARG 2 20.929 0.673 4.592
11 HG3 ARG 2 HG1 ARG 2 20.545 0.334 6.280
12 HD2 ARG 2 HD2 ARG 2 21.752 -1.668 4.350
13 HD3 ARG 2 HD1 ARG 2 22.666 -0.753 5.547
14 HE ARG 2 HE ARG 2 20.868 -2.988 6.071
15 HH11 ARG 2 HH11 ARG 2 22.670 -0.289 7.271
16 HH12 ARG 2 HH12 ARG 2 22.721 -0.870 8.902
17 HH21 ARG 2 HH21 ARG 2 20.931 -3.759 8.207
18 HH22 ARG 2 HH22 ARG 2 21.736 -2.835 9.431
19 H ILE 3 HN ILE 3 16.354 -0.880 5.909
20 HA ILE 3 HA ILE 3 14.910 -1.325 3.372
21 HB ILE 3 HB ILE 3 14.082 -3.321 4.244
22 HG12 ILE 3 HG12 ILE 3 13.237 -2.227 6.347
23 HG13 ILE 3 HG11 ILE 3 13.927 -3.828 6.615
24 HG21 ILE 3 HG21 ILE 3 16.830 -2.812 5.401
25 HG22 ILE 3 HG22 ILE 3 16.419 -3.674 3.919
26 HG23 ILE 3 HG23 ILE 3 16.049 -4.391 5.487
27 HD11 ILE 3 HD11 ILE 3 15.102 -1.137 7.276
28 HD12 ILE 3 HD12 ILE 3 16.150 -2.536 7.051
29 HD13 ILE 3 HD13 ILE 3 14.923 -2.550 8.316
30 H ASP 4 HN ASP 4 14.912 0.886 5.665
31 HA ASP 4 HA ASP 4 12.450 1.010 6.903
32 HB2 ASP 4 HB2 ASP 4 14.326 2.648 7.178
33 HB3 ASP 4 HB1 ASP 4 13.865 3.365 5.634
34 H DBU 5 HN DHB 5 10.483 0.729 6.048
35 HB DBU 5 HB DHB 5 7.786 2.229 3.547
36 HG1 DBU 5 HG1 DHB 5 8.829 4.115 5.311
37 HG2 DBU 5 HG2 DHB 5 7.194 3.475 5.485
38 HG3 DBU 5 HG3 DHB 5 8.519 2.771 6.412
39 H CYS 6 HN CYS 6 11.736 0.850 3.068
40 HA CYS 6 HA CYS 6 10.722 -0.248 0.678
41 HB2 CYS 6 HB2 CYS 6 12.976 0.559 0.711
42 HB3 CYS 6 HB1 CYS 6 13.408 -0.521 2.036
43 HA PRO 7 HA PRO 7 9.463 -4.257 2.007
44 HB2 PRO 7 HB2 PRO 7 9.559 -5.535 -0.417
45 HB3 PRO 7 HB1 PRO 7 8.271 -4.407 0.048
46 HG2 PRO 7 HG2 PRO 7 10.650 -3.957 -1.680
47 HG3 PRO 7 HG1 PRO 7 8.994 -3.352 -1.853
48 HD2 PRO 7 HD2 PRO 7 11.031 -1.813 -0.877
49 HD3 PRO 7 HD1 PRO 7 9.332 -1.590 -0.405
50 H ALA 8 HN ALA 8 11.594 -4.417 3.191
51 HA ALA 8 HA ALA 8 13.352 -5.766 3.815
52 HB1 ALA 8 HB1 ALA 8 13.521 -7.570 1.585
53 HB2 ALA 8 HB2 ALA 8 11.832 -7.379 2.058
54 HB3 ALA 8 HB3 ALA 8 13.026 -7.907 3.244
55 H GLY 9 HN GLY 9 13.277 -5.370 0.268
56 HA2 GLY 9 HA2 GLY 9 15.802 -5.505 -0.544
57 HA3 GLY 9 HA1 GLY 9 14.794 -4.150 -1.041
58 H GLY 10 HN GLY 10 17.732 -4.824 0.125
59 HA2 GLY 10 HA2 GLY 10 18.104 -3.093 2.322
60 HA3 GLY 10 HA1 GLY 10 19.367 -3.627 1.217
61 H GLY 11 HN GLY 11 18.439 -2.561 -1.178
62 HA2 GLY 11 HA2 GLY 11 19.351 0.118 -1.010
63 HA3 GLY 11 HA1 GLY 11 18.614 -0.631 -2.423
64 H DBB 12 HN DBB 12 16.114 -1.296 -1.368
65 HA DBB 12 HA DBB 12 14.688 0.539 0.076
66 HB2 DBB 12 HB2 DBB 12 13.983 -1.203 -2.262
67 HG1 DBB 12 HG1 DBB 12 12.045 0.725 -0.962
68 HG2 DBB 12 HG2 DBB 12 11.726 -0.377 -2.302
69 HG3 DBB 12 HG3 DBB 12 12.794 1.006 -2.534
70 H DAL 13 HN DAL 13 16.244 1.035 -2.937
71 HA DAL 13 HA DAL 13 16.364 2.831 -4.363
72 HB1 DAL 13 HB2 DAL 13 15.766 4.008 -1.695
73 HB2 DAL 13 HB3 DAL 13 17.148 4.265 -2.756
74 H GLU 14 HN GLU 14 15.057 4.121 -5.794
75 HA GLU 14 HA GLU 14 12.458 4.945 -5.489
76 HB2 GLU 14 HB2 GLU 14 13.790 3.828 -7.967
77 HB3 GLU 14 HB1 GLU 14 12.253 4.693 -7.969
78 HG2 GLU 14 HG2 GLU 14 14.860 5.815 -6.902
79 HG3 GLU 14 HG1 GLU 14 14.185 6.181 -8.489
80 H GLN 15 HN GLN 15 13.592 1.743 -5.492
81 HA GLN 15 HA GLN 15 11.471 0.309 -6.620
82 HB2 GLN 15 HB2 GLN 15 13.332 -0.361 -4.333
83 HB3 GLN 15 HB1 GLN 15 12.183 -1.513 -5.016
84 HG2 GLN 15 HG2 GLN 15 13.210 -1.225 -7.241
85 HG3 GLN 15 HG1 GLN 15 14.359 -0.074 -6.562
86 HE21 GLN 15 HE21 GLN 15 16.338 -1.171 -6.515
87 HE22 GLN 15 HE22 GLN 15 16.561 -2.724 -5.867
88 H DBB 16 HN DBB 16 11.753 1.949 -3.547
89 HA DBB 16 HA DBB 16 9.472 0.699 -2.329
90 HB2 DBB 16 HB2 DBB 16 8.159 2.952 -2.382
91 HG1 DBB 16 HG1 DBB 16 6.803 1.964 -3.932
92 HG2 DBB 16 HG2 DBB 16 7.900 0.605 -3.683
93 HG3 DBB 16 HG3 DBB 16 8.124 1.679 -5.065
94 H GLY 17 HN GLY 17 8.662 2.319 -0.484
95 HA2 GLY 17 HA2 GLY 17 9.362 4.031 1.086
96 HA3 GLY 17 HA1 GLY 17 10.039 2.504 1.644
97 H DBU 18 HN DHB 18 12.139 2.594 2.144
98 HB DBU 18 HB DHB 18 15.833 3.536 1.692
99 HG1 DBU 18 HG1 DHB 18 15.499 1.009 1.701
100 HG2 DBU 18 HG2 DHB 18 15.358 1.648 3.338
101 HG3 DBU 18 HG3 DHB 18 13.906 1.252 2.419
102 H CYS 19 HN CYS 19 14.021 4.414 -0.965
103 HA CYS 19 HA CYS 19 14.023 7.304 -0.329
104 HB2 CYS 19 HB2 CYS 19 15.585 7.667 -2.070
105 HB3 CYS 19 HB1 CYS 19 16.184 6.253 -1.209
106 H CYS 20 HN CYS 20 12.204 4.921 -1.819
107 HA CYS 20 HA CYS 20 11.301 5.637 -4.215
108 HB2 CYS 20 HB2 CYS 20 10.112 4.411 -1.950
109 HB3 CYS 20 HB1 CYS 20 8.943 5.564 -2.591
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 8.860 3.006 9.670
2 H2 GLY 1 HT2 GLY 1 7.171 2.937 9.841
3 H3 GLY 1 HT3 GLY 1 7.861 3.686 8.481
4 HA2 GLY 1 HA2 GLY 1 8.471 0.863 9.011
5 HA3 GLY 1 HA1 GLY 1 6.916 1.289 8.294
6 H ARG 2 HN ARG 2 10.337 2.269 7.946
7 HA ARG 2 HA ARG 2 10.108 3.037 5.233
8 HB2 ARG 2 HB2 ARG 2 12.485 2.263 6.931
9 HB3 ARG 2 HB1 ARG 2 12.636 2.816 5.263
10 HG2 ARG 2 HG2 ARG 2 11.490 4.915 5.837
11 HG3 ARG 2 HG1 ARG 2 11.295 4.363 7.501
12 HD2 ARG 2 HD2 ARG 2 13.744 4.245 7.754
13 HD3 ARG 2 HD1 ARG 2 13.945 4.783 6.089
14 HE ARG 2 HE ARG 2 12.363 6.685 7.409
15 HH11 ARG 2 HH11 ARG 2 15.552 5.350 7.508
16 HH12 ARG 2 HH12 ARG 2 16.290 6.795 8.114
17 HH21 ARG 2 HH21 ARG 2 13.320 8.584 8.207
18 HH22 ARG 2 HH22 ARG 2 15.025 8.626 8.510
19 H ILE 3 HN ILE 3 10.994 -0.005 6.794
20 HA ILE 3 HA ILE 3 11.835 -1.371 4.451
21 HB ILE 3 HB ILE 3 10.723 -2.411 7.067
22 HG12 ILE 3 HG12 ILE 3 13.583 -2.332 6.078
23 HG13 ILE 3 HG11 ILE 3 12.879 -1.033 7.044
24 HG21 ILE 3 HG21 ILE 3 10.596 -3.967 5.031
25 HG22 ILE 3 HG22 ILE 3 11.499 -4.571 6.422
26 HG23 ILE 3 HG23 ILE 3 12.360 -3.924 5.023
27 HD11 ILE 3 HD11 ILE 3 14.145 -2.894 8.308
28 HD12 ILE 3 HD12 ILE 3 12.749 -3.908 7.948
29 HD13 ILE 3 HD13 ILE 3 12.551 -2.444 8.912
30 H ASP 4 HN ASP 4 8.722 -0.591 5.758
31 HA ASP 4 HA ASP 4 7.155 -2.613 4.576
32 HB2 ASP 4 HB2 ASP 4 6.292 -1.071 6.287
33 HB3 ASP 4 HB1 ASP 4 6.423 0.268 5.149
34 H DBU 5 HN DHB 5 8.186 0.574 3.353
35 HB DBU 5 HB DHB 5 7.169 1.699 -0.299
36 HG1 DBU 5 HG1 DHB 5 6.477 2.607 2.476
37 HG2 DBU 5 HG2 DHB 5 5.931 3.294 0.945
38 HG3 DBU 5 HG3 DHB 5 5.132 1.867 1.606
39 H CYS 6 HN CYS 6 10.123 -0.195 1.927
40 HA CYS 6 HA CYS 6 10.622 -1.592 -0.631
41 HB2 CYS 6 HB2 CYS 6 12.050 0.422 -0.057
42 HB3 CYS 6 HB1 CYS 6 12.684 -0.514 1.291
43 HA PRO 7 HA PRO 7 10.305 -5.062 2.321
44 HB2 PRO 7 HB2 PRO 7 10.610 -6.548 -0.237
45 HB3 PRO 7 HB1 PRO 7 9.388 -6.731 1.033
46 HG2 PRO 7 HG2 PRO 7 8.825 -5.588 -1.314
47 HG3 PRO 7 HG1 PRO 7 8.074 -5.052 0.198
48 HD2 PRO 7 HD2 PRO 7 10.235 -3.743 -1.398
49 HD3 PRO 7 HD1 PRO 7 8.951 -3.005 -0.416
50 H ALA 8 HN ALA 8 12.047 -5.795 3.383
51 HA ALA 8 HA ALA 8 14.373 -5.901 3.780
52 HB1 ALA 8 HB1 ALA 8 13.140 -8.203 2.920
53 HB2 ALA 8 HB2 ALA 8 14.763 -8.116 3.603
54 HB3 ALA 8 HB3 ALA 8 14.541 -8.106 1.854
55 H GLY 9 HN GLY 9 13.977 -3.925 1.797
56 HA2 GLY 9 HA2 GLY 9 16.136 -4.503 -0.140
57 HA3 GLY 9 HA1 GLY 9 14.863 -3.310 -0.385
58 H GLY 10 HN GLY 10 18.052 -3.675 0.403
59 HA2 GLY 10 HA2 GLY 10 18.448 -1.765 2.456
60 HA3 GLY 10 HA1 GLY 10 19.661 -2.292 1.293
61 H GLY 11 HN GLY 11 18.657 -1.483 -1.098
62 HA2 GLY 11 HA2 GLY 11 19.261 1.286 -1.148
63 HA3 GLY 11 HA1 GLY 11 18.591 0.353 -2.489
64 H DBB 12 HN DBB 12 16.219 -0.479 -1.566
65 HA DBB 12 HA DBB 12 14.479 0.979 -0.142
66 HB2 DBB 12 HB2 DBB 12 14.218 -0.384 -2.797
67 HG1 DBB 12 HG1 DBB 12 12.336 1.581 -1.587
68 HG2 DBB 12 HG2 DBB 12 11.641 0.123 -2.296
69 HG3 DBB 12 HG3 DBB 12 12.635 1.198 -3.280
70 H DAL 13 HN DAL 13 16.102 1.997 -3.037
71 HA DAL 13 HA DAL 13 16.427 4.238 -3.683
72 HB1 DAL 13 HB2 DAL 13 14.989 5.969 -2.875
73 HB2 DAL 13 HB3 DAL 13 13.837 4.786 -2.272
74 H GLU 14 HN GLU 14 15.883 2.871 -5.724
75 HA GLU 14 HA GLU 14 13.968 4.271 -7.271
76 HB2 GLU 14 HB2 GLU 14 15.988 3.185 -8.217
77 HB3 GLU 14 HB1 GLU 14 15.276 1.609 -7.868
78 HG2 GLU 14 HG2 GLU 14 13.365 2.126 -9.317
79 HG3 GLU 14 HG1 GLU 14 14.027 3.728 -9.638
80 H GLN 15 HN GLN 15 13.894 1.247 -5.505
81 HA GLN 15 HA GLN 15 11.517 0.186 -6.591
82 HB2 GLN 15 HB2 GLN 15 13.286 -0.350 -4.332
83 HB3 GLN 15 HB1 GLN 15 11.593 -0.683 -3.958
84 HG2 GLN 15 HG2 GLN 15 13.033 -1.714 -6.417
85 HG3 GLN 15 HG1 GLN 15 12.791 -2.650 -4.944
86 HE21 GLN 15 HE21 GLN 15 11.593 -2.674 -7.895
87 HE22 GLN 15 HE22 GLN 15 9.937 -2.901 -7.597
88 H DBB 16 HN DBB 16 12.115 2.629 -4.144
89 HA DBB 16 HA DBB 16 9.193 2.870 -3.733
90 HB2 DBB 16 HB2 DBB 16 9.265 5.172 -4.019
91 HG1 DBB 16 HG1 DBB 16 9.998 3.919 -6.098
92 HG2 DBB 16 HG2 DBB 16 11.657 4.346 -5.678
93 HG3 DBB 16 HG3 DBB 16 10.483 5.613 -6.036
94 H GLY 17 HN GLY 17 8.514 2.873 -1.687
95 HA2 GLY 17 HA2 GLY 17 8.690 3.661 0.600
96 HA3 GLY 17 HA1 GLY 17 9.371 2.038 0.549
97 H DBU 18 HN DHB 18 11.135 1.978 1.806
98 HB DBU 18 HB DHB 18 14.659 2.880 2.967
99 HG1 DBU 18 HG1 DHB 18 14.080 0.654 3.789
100 HG2 DBU 18 HG2 DHB 18 12.638 0.606 2.777
101 HG3 DBU 18 HG3 DHB 18 14.234 0.418 2.048
102 H CYS 19 HN CYS 19 14.359 4.292 0.506
103 HA CYS 19 HA CYS 19 14.698 6.826 1.680
104 HB2 CYS 19 HB2 CYS 19 15.044 7.094 -1.137
105 HB3 CYS 19 HB1 CYS 19 16.289 6.934 0.089
106 H CYS 20 HN CYS 20 12.451 5.672 -0.804
107 HA CYS 20 HA CYS 20 11.349 8.161 -1.524
108 HB2 CYS 20 HB2 CYS 20 9.840 5.548 -1.401
109 HB3 CYS 20 HB1 CYS 20 9.542 6.915 -2.473
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 6.479 4.780 7.801
2 H2 GLY 1 HT2 GLY 1 7.872 4.088 8.484
3 H3 GLY 1 HT3 GLY 1 7.029 3.270 7.258
4 HA2 GLY 1 HA2 GLY 1 7.552 5.133 5.725
5 HA3 GLY 1 HA1 GLY 1 8.587 5.781 6.997
6 H ARG 2 HN ARG 2 10.100 4.022 7.974
7 HA ARG 2 HA ARG 2 11.835 3.140 5.910
8 HB2 ARG 2 HB2 ARG 2 11.732 2.507 8.865
9 HB3 ARG 2 HB1 ARG 2 13.024 1.964 7.793
10 HG2 ARG 2 HG2 ARG 2 13.536 4.296 7.204
11 HG3 ARG 2 HG1 ARG 2 12.220 4.856 8.238
12 HD2 ARG 2 HD2 ARG 2 14.554 3.209 9.241
13 HD3 ARG 2 HD1 ARG 2 14.498 4.968 9.313
14 HE ARG 2 HE ARG 2 12.151 3.979 10.499
15 HH11 ARG 2 HH11 ARG 2 15.579 3.988 10.962
16 HH12 ARG 2 HH12 ARG 2 15.486 3.886 12.689
17 HH21 ARG 2 HH21 ARG 2 12.020 3.845 12.762
18 HH22 ARG 2 HH22 ARG 2 13.470 3.806 13.708
19 H ILE 3 HN ILE 3 12.427 0.989 5.345
20 HA ILE 3 HA ILE 3 11.847 -1.084 4.520
21 HB ILE 3 HB ILE 3 10.932 -1.284 7.396
22 HG12 ILE 3 HG12 ILE 3 13.288 -2.781 6.575
23 HG13 ILE 3 HG11 ILE 3 13.477 -1.060 6.232
24 HG21 ILE 3 HG21 ILE 3 11.582 -3.824 6.554
25 HG22 ILE 3 HG22 ILE 3 10.757 -3.167 5.140
26 HG23 ILE 3 HG23 ILE 3 9.938 -3.203 6.702
27 HD11 ILE 3 HD11 ILE 3 13.259 -0.450 8.473
28 HD12 ILE 3 HD12 ILE 3 14.117 -1.985 8.611
29 HD13 ILE 3 HD13 ILE 3 12.378 -1.921 8.891
30 H ASP 4 HN ASP 4 9.690 1.177 4.733
31 HA ASP 4 HA ASP 4 7.284 -0.499 4.515
32 HB2 ASP 4 HB2 ASP 4 7.184 1.510 5.959
33 HB3 ASP 4 HB1 ASP 4 7.552 2.516 4.560
34 H DBU 5 HN DHB 5 7.354 -1.416 2.494
35 HB DBU 5 HB DHB 5 6.434 -0.046 -1.255
36 HG1 DBU 5 HG1 DHB 5 5.531 1.749 0.784
37 HG2 DBU 5 HG2 DHB 5 4.504 1.041 -0.463
38 HG3 DBU 5 HG3 DHB 5 4.675 0.238 1.099
39 H CYS 6 HN CYS 6 9.680 -0.811 1.519
40 HA CYS 6 HA CYS 6 10.537 -2.607 -0.667
41 HB2 CYS 6 HB2 CYS 6 11.377 -0.178 -0.819
42 HB3 CYS 6 HB1 CYS 6 12.373 -0.572 0.581
43 HA PRO 7 HA PRO 7 11.324 -4.234 3.713
44 HB2 PRO 7 HB2 PRO 7 10.048 -6.623 2.497
45 HB3 PRO 7 HB1 PRO 7 9.756 -5.866 4.075
46 HG2 PRO 7 HG2 PRO 7 7.997 -5.648 2.096
47 HG3 PRO 7 HG1 PRO 7 8.308 -4.306 3.211
48 HD2 PRO 7 HD2 PRO 7 9.266 -4.671 0.390
49 HD3 PRO 7 HD1 PRO 7 8.724 -3.191 1.215
50 H ALA 8 HN ALA 8 13.136 -5.403 4.198
51 HA ALA 8 HA ALA 8 15.236 -6.276 3.736
52 HB1 ALA 8 HB1 ALA 8 13.198 -8.221 2.719
53 HB2 ALA 8 HB2 ALA 8 14.281 -8.357 4.104
54 HB3 ALA 8 HB3 ALA 8 14.910 -8.559 2.468
55 H GLY 9 HN GLY 9 13.935 -4.482 1.603
56 HA2 GLY 9 HA2 GLY 9 15.001 -5.445 -0.901
57 HA3 GLY 9 HA1 GLY 9 14.295 -3.859 -0.603
58 H GLY 10 HN GLY 10 16.097 -3.416 1.722
59 HA2 GLY 10 HA2 GLY 10 18.324 -2.844 2.186
60 HA3 GLY 10 HA1 GLY 10 18.765 -3.321 0.549
61 H GLY 11 HN GLY 11 18.518 -1.844 -1.158
62 HA2 GLY 11 HA2 GLY 11 18.972 0.874 -0.531
63 HA3 GLY 11 HA1 GLY 11 18.608 0.241 -2.134
64 H DBB 12 HN DBB 12 16.066 -0.883 -1.533
65 HA DBB 12 HA DBB 12 14.118 0.396 -0.262
66 HB2 DBB 12 HB2 DBB 12 14.229 -0.608 -3.081
67 HG1 DBB 12 HG1 DBB 12 11.647 -0.096 -2.987
68 HG2 DBB 12 HG2 DBB 12 12.775 1.141 -3.540
69 HG3 DBB 12 HG3 DBB 12 12.146 1.194 -1.894
70 H DAL 13 HN DAL 13 15.954 1.777 -2.916
71 HA DAL 13 HA DAL 13 16.332 4.050 -3.306
72 HB1 DAL 13 HB2 DAL 13 13.941 5.085 -1.973
73 HB2 DAL 13 HB3 DAL 13 15.001 4.177 -0.899
74 H GLU 14 HN GLU 14 15.731 3.669 -5.533
75 HA GLU 14 HA GLU 14 13.452 5.104 -6.428
76 HB2 GLU 14 HB2 GLU 14 15.310 3.202 -7.875
77 HB3 GLU 14 HB1 GLU 14 14.086 4.192 -8.669
78 HG2 GLU 14 HG2 GLU 14 16.331 5.275 -6.945
79 HG3 GLU 14 HG1 GLU 14 16.331 5.265 -8.707
80 H GLN 15 HN GLN 15 13.950 1.831 -5.474
81 HA GLN 15 HA GLN 15 11.910 0.572 -6.980
82 HB2 GLN 15 HB2 GLN 15 13.607 -0.087 -4.679
83 HB3 GLN 15 HB1 GLN 15 12.022 -0.863 -4.642
84 HG2 GLN 15 HG2 GLN 15 13.897 -0.906 -7.022
85 HG3 GLN 15 HG1 GLN 15 13.735 -2.218 -5.856
86 HE21 GLN 15 HE21 GLN 15 12.794 -1.521 -8.889
87 HE22 GLN 15 HE22 GLN 15 11.253 -2.236 -8.912
88 H DBB 16 HN DBB 16 11.887 2.452 -4.028
89 HA DBB 16 HA DBB 16 9.105 1.776 -3.459
90 HB2 DBB 16 HB2 DBB 16 8.555 4.297 -3.482
91 HG1 DBB 16 HG1 DBB 16 8.976 3.562 -6.287
92 HG2 DBB 16 HG2 DBB 16 7.473 3.838 -5.408
93 HG3 DBB 16 HG3 DBB 16 8.264 2.263 -5.330
94 H GLY 17 HN GLY 17 9.010 1.527 -1.329
95 HA2 GLY 17 HA2 GLY 17 9.557 3.466 0.573
96 HA3 GLY 17 HA1 GLY 17 9.470 1.741 0.919
97 H DBU 18 HN DHB 18 11.326 4.117 1.704
98 HB DBU 18 HB DHB 18 15.189 2.735 2.295
99 HG1 DBU 18 HG1 DHB 18 12.858 1.079 3.026
100 HG2 DBU 18 HG2 DHB 18 13.485 0.591 1.452
101 HG3 DBU 18 HG3 DHB 18 14.534 0.550 2.868
102 H CYS 19 HN CYS 19 13.024 4.904 -0.431
103 HA CYS 19 HA CYS 19 13.640 7.469 0.602
104 HB2 CYS 19 HB2 CYS 19 15.840 7.839 -0.118
105 HB3 CYS 19 HB1 CYS 19 15.919 6.238 0.615
106 H CYS 20 HN CYS 20 11.848 5.953 -1.254
107 HA CYS 20 HA CYS 20 12.298 6.678 -3.930
108 HB2 CYS 20 HB2 CYS 20 10.149 5.558 -2.369
109 HB3 CYS 20 HB1 CYS 20 9.516 6.757 -3.497
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 15.638 -0.241 9.960
2 H2 GLY 1 HT2 GLY 1 15.139 0.556 11.374
3 H3 GLY 1 HT3 GLY 1 15.982 1.406 10.168
4 HA2 GLY 1 HA2 GLY 1 13.299 0.186 9.807
5 HA3 GLY 1 HA1 GLY 1 13.582 1.891 10.160
6 H ARG 2 HN ARG 2 16.094 0.568 8.345
7 HA ARG 2 HA ARG 2 15.397 2.136 6.031
8 HB2 ARG 2 HB2 ARG 2 17.697 0.303 6.702
9 HB3 ARG 2 HB1 ARG 2 17.525 1.046 5.112
10 HG2 ARG 2 HG2 ARG 2 17.514 3.277 6.123
11 HG3 ARG 2 HG1 ARG 2 17.610 2.566 7.735
12 HD2 ARG 2 HD2 ARG 2 19.686 2.123 5.577
13 HD3 ARG 2 HD1 ARG 2 19.823 3.355 6.827
14 HE ARG 2 HE ARG 2 20.138 0.484 7.177
15 HH11 ARG 2 HH11 ARG 2 19.569 3.581 8.612
16 HH12 ARG 2 HH12 ARG 2 20.115 3.107 10.185
17 HH21 ARG 2 HH21 ARG 2 20.856 -0.145 9.237
18 HH22 ARG 2 HH22 ARG 2 20.844 0.996 10.539
19 H ILE 3 HN ILE 3 13.810 -0.343 6.902
20 HA ILE 3 HA ILE 3 13.593 -1.470 4.197
21 HB ILE 3 HB ILE 3 13.782 -3.147 6.712
22 HG12 ILE 3 HG12 ILE 3 15.657 -3.671 4.530
23 HG13 ILE 3 HG11 ILE 3 15.831 -2.040 5.183
24 HG21 ILE 3 HG21 ILE 3 12.316 -4.315 5.312
25 HG22 ILE 3 HG22 ILE 3 13.883 -4.958 4.820
26 HG23 ILE 3 HG23 ILE 3 13.091 -3.722 3.842
27 HD11 ILE 3 HD11 ILE 3 17.251 -3.406 6.523
28 HD12 ILE 3 HD12 ILE 3 16.025 -4.666 6.667
29 HD13 ILE 3 HD13 ILE 3 15.811 -3.127 7.502
30 H ASP 4 HN ASP 4 12.149 0.029 6.709
31 HA ASP 4 HA ASP 4 9.710 -1.383 7.032
32 HB2 ASP 4 HB2 ASP 4 10.634 1.414 7.571
33 HB3 ASP 4 HB1 ASP 4 8.913 1.045 7.657
34 H DBU 5 HN DHB 5 10.785 1.102 4.753
35 HB DBU 5 HB DHB 5 8.179 2.574 2.136
36 HG1 DBU 5 HG1 DHB 5 8.547 4.500 3.536
37 HG2 DBU 5 HG2 DHB 5 7.610 3.490 4.637
38 HG3 DBU 5 HG3 DHB 5 9.370 3.533 4.759
39 H CYS 6 HN CYS 6 11.238 0.430 2.050
40 HA CYS 6 HA CYS 6 9.689 -1.385 0.330
41 HB2 CYS 6 HB2 CYS 6 11.972 -1.456 -0.906
42 HB3 CYS 6 HB1 CYS 6 10.998 0.009 -1.022
43 HA PRO 7 HA PRO 7 11.394 -4.301 3.415
44 HB2 PRO 7 HB2 PRO 7 9.587 -6.279 2.750
45 HB3 PRO 7 HB1 PRO 7 9.279 -5.002 3.942
46 HG2 PRO 7 HG2 PRO 7 8.429 -5.175 1.092
47 HG3 PRO 7 HG1 PRO 7 7.525 -4.610 2.507
48 HD2 PRO 7 HD2 PRO 7 8.640 -2.871 0.754
49 HD3 PRO 7 HD1 PRO 7 8.554 -2.511 2.492
50 H ALA 8 HN ALA 8 12.887 -5.907 3.113
51 HA ALA 8 HA ALA 8 14.354 -7.293 2.016
52 HB1 ALA 8 HB1 ALA 8 13.322 -9.035 1.018
53 HB2 ALA 8 HB2 ALA 8 12.538 -8.000 -0.176
54 HB3 ALA 8 HB3 ALA 8 11.823 -8.199 1.425
55 H GLY 9 HN GLY 9 13.363 -4.463 0.835
56 HA2 GLY 9 HA2 GLY 9 14.551 -4.676 -1.830
57 HA3 GLY 9 HA1 GLY 9 13.744 -3.263 -1.156
58 H GLY 10 HN GLY 10 15.786 -4.460 1.163
59 HA2 GLY 10 HA2 GLY 10 17.675 -3.532 2.123
60 HA3 GLY 10 HA1 GLY 10 18.369 -3.824 0.531
61 H GLY 11 HN GLY 11 18.963 -2.117 -0.677
62 HA2 GLY 11 HA2 GLY 11 19.490 0.364 0.115
63 HA3 GLY 11 HA1 GLY 11 18.899 0.074 -1.519
64 H DBB 12 HN DBB 12 16.508 0.050 -1.796
65 HA DBB 12 HA DBB 12 15.087 1.684 0.202
66 HB2 DBB 12 HB2 DBB 12 14.330 -0.587 -1.321
67 HG1 DBB 12 HG1 DBB 12 13.881 1.246 -3.071
68 HG2 DBB 12 HG2 DBB 12 12.581 1.776 -2.002
69 HG3 DBB 12 HG3 DBB 12 12.550 0.153 -2.690
70 H DAL 13 HN DAL 13 16.136 1.602 -3.142
71 HA DAL 13 HA DAL 13 16.454 3.368 -4.607
72 HB1 DAL 13 HB2 DAL 13 16.348 4.675 -2.208
73 HB2 DAL 13 HB3 DAL 13 16.579 5.466 -3.767
74 H GLU 14 HN GLU 14 15.131 4.253 -6.299
75 HA GLU 14 HA GLU 14 12.465 4.849 -6.305
76 HB2 GLU 14 HB2 GLU 14 14.083 3.435 -8.433
77 HB3 GLU 14 HB1 GLU 14 12.455 4.059 -8.699
78 HG2 GLU 14 HG2 GLU 14 13.718 5.877 -9.389
79 HG3 GLU 14 HG1 GLU 14 13.476 6.276 -7.689
80 H GLN 15 HN GLN 15 13.863 1.806 -5.673
81 HA GLN 15 HA GLN 15 11.882 0.034 -6.580
82 HB2 GLN 15 HB2 GLN 15 13.812 -0.090 -4.264
83 HB3 GLN 15 HB1 GLN 15 12.714 -1.415 -4.647
84 HG2 GLN 15 HG2 GLN 15 13.644 -1.573 -6.906
85 HG3 GLN 15 HG1 GLN 15 14.699 -0.197 -6.587
86 HE21 GLN 15 HE21 GLN 15 15.300 -3.177 -7.138
87 HE22 GLN 15 HE22 GLN 15 16.334 -3.620 -5.867
88 H DBB 16 HN DBB 16 11.834 2.355 -4.049
89 HA DBB 16 HA DBB 16 9.521 1.093 -2.749
90 HB2 DBB 16 HB2 DBB 16 8.222 3.207 -2.944
91 HG1 DBB 16 HG1 DBB 16 8.354 2.912 -5.704
92 HG2 DBB 16 HG2 DBB 16 7.347 1.968 -4.607
93 HG3 DBB 16 HG3 DBB 16 8.931 1.363 -5.093
94 H GLY 17 HN GLY 17 9.438 1.470 -0.603
95 HA2 GLY 17 HA2 GLY 17 10.012 3.652 0.884
96 HA3 GLY 17 HA1 GLY 17 10.348 2.024 1.464
97 H DBU 18 HN DHB 18 11.975 3.810 2.501
98 HB DBU 18 HB DHB 18 15.973 3.568 2.325
99 HG1 DBU 18 HG1 DHB 18 13.836 1.404 2.718
100 HG2 DBU 18 HG2 DHB 18 15.569 1.130 2.539
101 HG3 DBU 18 HG3 DHB 18 14.938 1.852 4.019
102 H CYS 19 HN CYS 19 12.950 4.892 -0.290
103 HA CYS 19 HA CYS 19 13.944 7.606 0.176
104 HB2 CYS 19 HB2 CYS 19 15.064 7.772 -1.944
105 HB3 CYS 19 HB1 CYS 19 15.714 6.359 -1.113
106 H CYS 20 HN CYS 20 12.086 5.413 -1.925
107 HA CYS 20 HA CYS 20 10.735 6.893 -3.651
108 HB2 CYS 20 HB2 CYS 20 9.832 4.770 -1.792
109 HB3 CYS 20 HB1 CYS 20 8.561 5.713 -2.569