Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649683 | 6vlj RC | 30718 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 HT1 ALA 1 20.857 -2.890 1.817
2 H2 ALA 1 HT2 ALA 1 21.748 -1.452 1.970
3 H3 ALA 1 HT3 ALA 1 21.509 -2.149 0.438
4 HA ALA 1 HA ALA 1 19.678 -0.970 0.158
5 HB1 ALA 1 HB1 ALA 1 18.992 -2.951 2.096
6 HB2 ALA 1 HB2 ALA 1 17.928 -2.148 0.939
7 HB3 ALA 1 HB3 ALA 1 18.171 -1.454 2.542
8 H ALA 2 HN ALA 2 19.155 1.141 0.452
9 HA ALA 2 HA ALA 2 20.609 2.716 2.299
10 HB1 ALA 2 HB1 ALA 2 18.104 3.483 0.782
11 HB2 ALA 2 HB2 ALA 2 19.734 3.532 0.109
12 HB3 ALA 2 HB3 ALA 2 19.305 4.581 1.460
13 H CYS 3 HN CYS 3 17.305 1.464 2.298
14 HA CYS 3 HA CYS 3 16.385 2.904 4.557
15 HB2 CYS 3 HB2 CYS 3 15.493 0.271 3.368
16 HB3 CYS 3 HB1 CYS 3 14.636 1.110 4.663
17 H HIS 4 HN HIS 4 18.056 -0.171 4.186
18 HA HIS 4 HA HIS 4 19.291 -1.391 5.701
19 HB2 HIS 4 HB2 HIS 4 18.485 0.728 7.710
20 HB3 HIS 4 HB1 HIS 4 19.723 -0.509 7.938
21 HD2 HIS 4 HD2 HIS 4 19.491 3.054 6.615
22 HE1 HIS 4 HE1 HIS 4 23.046 1.464 4.986
23 HE2 HIS 4 HE2 HIS 4 21.711 3.593 5.352
24 H ASN 5 HN ASN 5 16.066 -0.313 6.471
25 HA ASN 5 HA ASN 5 15.599 -2.617 8.224
26 HB2 ASN 5 HB2 ASN 5 13.942 -0.188 7.525
27 HB3 ASN 5 HB1 ASN 5 13.334 -1.522 8.505
28 HD21 ASN 5 HD21 ASN 5 13.669 1.173 9.533
29 HD22 ASN 5 HD22 ASN 5 14.867 1.113 10.734
30 H HIS 6 HN HIS 6 15.889 -2.467 5.121
31 HA HIS 6 HA HIS 6 15.104 -3.762 3.389
32 HB2 HIS 6 HB2 HIS 6 14.788 -5.575 4.977
33 HB3 HIS 6 HB1 HIS 6 13.262 -4.876 5.518
34 HD2 HIS 6 HD2 HIS 6 11.067 -5.634 4.000
35 HE1 HIS 6 HE1 HIS 6 13.174 -7.376 0.783
36 HE2 HIS 6 HE2 HIS 6 10.868 -6.975 1.768
37 H ALA 7 HN ALA 7 12.311 -2.831 5.425
38 HA ALA 7 HA ALA 7 11.340 -0.867 3.681
39 HB1 ALA 7 HB1 ALA 7 10.594 -2.188 1.998
40 HB2 ALA 7 HB2 ALA 7 9.248 -2.506 3.091
41 HB3 ALA 7 HB3 ALA 7 10.599 -3.637 3.001
42 HA PRO 8 HA PRO 8 8.910 -0.456 3.026
43 HB2 PRO 8 HB2 PRO 8 7.929 2.008 3.791
44 HB3 PRO 8 HB1 PRO 8 6.943 0.542 3.644
45 HG2 PRO 8 HG2 PRO 8 8.075 1.823 6.073
46 HG3 PRO 8 HG1 PRO 8 6.521 1.004 5.842
47 HD2 PRO 8 HD2 PRO 8 8.644 -0.182 7.094
48 HD3 PRO 8 HD1 PRO 8 7.423 -1.097 6.183
49 H DAL 9 HN DAL 9 10.142 0.814 1.714
50 HA DAL 9 HA DAL 9 12.295 1.648 1.229
51 HB1 DAL 9 HB2 DAL 9 12.570 3.002 3.863
52 HB2 DAL 9 HB3 DAL 9 12.712 1.244 3.833
53 H MET 10 HN MET 10 13.210 4.184 2.007
54 HA MET 10 HA MET 10 11.005 6.054 1.763
55 HB2 MET 10 HB2 MET 10 12.851 6.718 3.163
56 HB3 MET 10 HB1 MET 10 14.006 6.429 1.863
57 HG2 MET 10 HG2 MET 10 12.116 8.167 0.748
58 HG3 MET 10 HG1 MET 10 12.376 8.783 2.379
59 HE1 MET 10 HE1 MET 10 15.127 7.268 -0.546
60 HE2 MET 10 HE2 MET 10 14.793 8.830 -1.288
61 HE3 MET 10 HE3 MET 10 13.457 7.771 -0.843
62 HA PRO 11 HA PRO 11 13.379 6.555 -2.512
63 HB2 PRO 11 HB2 PRO 11 14.121 3.711 -2.922
64 HB3 PRO 11 HB1 PRO 11 15.055 5.179 -3.254
65 HG2 PRO 11 HG2 PRO 11 15.656 3.573 -1.213
66 HG3 PRO 11 HG1 PRO 11 15.836 5.332 -1.102
67 HD2 PRO 11 HD2 PRO 11 13.689 3.582 0.049
68 HD3 PRO 11 HD1 PRO 11 14.454 5.032 0.738
69 HA PRO 12 HA PRO 12 9.250 5.057 -3.660
70 HB2 PRO 12 HB2 PRO 12 9.592 7.074 -5.793
71 HB3 PRO 12 HB1 PRO 12 8.318 6.931 -4.570
72 HG2 PRO 12 HG2 PRO 12 10.184 8.845 -4.459
73 HG3 PRO 12 HG1 PRO 12 9.503 8.100 -3.001
74 HD2 PRO 12 HD2 PRO 12 12.167 7.621 -4.291
75 HD3 PRO 12 HD1 PRO 12 11.740 7.666 -2.566
76 H DAL 13 HN DAL 13 10.055 3.018 -4.410
77 HA DAL 13 HA DAL 13 9.845 2.678 -7.240
78 HB1 DAL 13 HB2 DAL 13 10.917 0.375 -5.854
79 HB2 DAL 13 HB3 DAL 13 9.556 1.068 -4.975
80 H TYR 14 HN TYR 14 12.513 2.926 -5.001
81 HA TYR 14 HA TYR 14 14.410 3.380 -7.038
82 HB2 TYR 14 HB2 TYR 14 14.787 4.172 -4.776
83 HB3 TYR 14 HB1 TYR 14 14.803 2.521 -4.163
84 HD1 TYR 14 HD1 TYR 14 16.526 4.783 -6.593
85 HD2 TYR 14 HD2 TYR 14 16.810 1.303 -4.093
86 HE1 TYR 14 HE1 TYR 14 18.954 4.625 -7.088
87 HE2 TYR 14 HE2 TYR 14 19.236 1.142 -4.588
88 HH TYR 14 HH TYR 14 20.863 1.864 -6.062
89 H TRP 15 HN TRP 15 13.656 0.505 -5.118
90 HA TRP 15 HA TRP 15 15.610 -1.136 -6.476
91 HB2 TRP 15 HB2 TRP 15 13.382 -2.357 -4.919
92 HB3 TRP 15 HB1 TRP 15 15.103 -2.744 -4.914
93 HD1 TRP 15 HD1 TRP 15 16.614 -1.562 -3.169
94 HE1 TRP 15 HE1 TRP 15 16.169 0.100 -1.247
95 HE3 TRP 15 HE3 TRP 15 11.782 -0.286 -4.210
96 HZ2 TRP 15 HZ2 TRP 15 14.039 1.754 -0.283
97 HZ3 TRP 15 HZ3 TRP 15 10.571 1.335 -2.778
98 HH2 TRP 15 HH2 TRP 15 11.693 2.354 -0.817
99 H GLU 16 HN GLU 16 12.718 0.121 -7.396
100 HA GLU 16 HA GLU 16 11.100 -0.425 -8.932
101 HB2 GLU 16 HB2 GLU 16 11.915 -1.273 -10.991
102 HB3 GLU 16 HB1 GLU 16 13.262 -0.384 -10.285
103 HG2 GLU 16 HG2 GLU 16 13.082 -3.255 -9.550
104 HG3 GLU 16 HG1 GLU 16 13.487 -2.912 -11.232
105 H GLY 17 HN GLY 17 11.230 -2.092 -6.575
106 HA2 GLY 17 HA2 GLY 17 9.874 -4.466 -7.674
107 HA3 GLY 17 HA1 GLY 17 11.129 -4.677 -6.456
108 H GLU 18 HN GLU 18 10.624 -2.596 -4.732
109 HA GLU 18 HA GLU 18 8.484 -3.611 -3.176
110 HB2 GLU 18 HB2 GLU 18 10.000 -1.000 -2.986
111 HB3 GLU 18 HB1 GLU 18 8.891 -1.606 -1.755
112 HG2 GLU 18 HG2 GLU 18 11.348 -3.081 -2.744
113 HG3 GLU 18 HG1 GLU 18 11.264 -2.159 -1.245
114 H CYS 19 HN CYS 19 8.813 -0.658 -5.128
115 HA CYS 19 HA CYS 19 6.388 0.560 -4.583
116 HB2 CYS 19 HB2 CYS 19 6.650 1.122 -7.218
117 HB3 CYS 19 HB1 CYS 19 7.595 1.915 -5.959
Start of MODEL 2
1 H1 ALA 1 HT1 ALA 1 23.577 4.240 3.749
2 H2 ALA 1 HT2 ALA 1 22.862 2.819 3.153
3 H3 ALA 1 HT3 ALA 1 22.168 3.634 4.473
4 HA ALA 1 HA ALA 1 21.660 5.533 3.071
5 HB1 ALA 1 HB1 ALA 1 22.389 3.889 0.671
6 HB2 ALA 1 HB2 ALA 1 23.658 4.786 1.505
7 HB3 ALA 1 HB3 ALA 1 22.271 5.641 0.830
8 H ALA 2 HN ALA 2 21.433 2.441 1.307
9 HA ALA 2 HA ALA 2 18.638 2.642 0.902
10 HB1 ALA 2 HB1 ALA 2 20.529 0.286 0.753
11 HB2 ALA 2 HB2 ALA 2 19.940 1.273 -0.584
12 HB3 ALA 2 HB3 ALA 2 18.832 0.207 0.279
13 H CYS 3 HN CYS 3 16.913 1.735 1.969
14 HA CYS 3 HA CYS 3 17.126 1.360 4.766
15 HB2 CYS 3 HB2 CYS 3 14.908 0.672 2.828
16 HB3 CYS 3 HB1 CYS 3 14.754 0.570 4.582
17 H HIS 4 HN HIS 4 16.870 -0.903 2.057
18 HA HIS 4 HA HIS 4 16.820 -3.238 2.068
19 HB2 HIS 4 HB2 HIS 4 18.978 -4.066 2.517
20 HB3 HIS 4 HB1 HIS 4 19.248 -2.369 2.120
21 HD2 HIS 4 HD2 HIS 4 19.912 -0.711 4.376
22 HE1 HIS 4 HE1 HIS 4 20.477 -3.924 7.056
23 HE2 HIS 4 HE2 HIS 4 20.799 -1.427 6.725
24 H ASN 5 HN ASN 5 15.294 -2.048 4.295
25 HA ASN 5 HA ASN 5 15.674 -4.161 6.331
26 HB2 ASN 5 HB2 ASN 5 14.448 -1.405 6.587
27 HB3 ASN 5 HB1 ASN 5 14.436 -2.624 7.861
28 HD21 ASN 5 HD21 ASN 5 17.238 -3.492 6.781
29 HD22 ASN 5 HD22 ASN 5 18.284 -2.357 7.489
30 H HIS 6 HN HIS 6 12.893 -2.885 7.194
31 HA HIS 6 HA HIS 6 11.328 -4.963 5.888
32 HB2 HIS 6 HB2 HIS 6 10.728 -3.004 8.108
33 HB3 HIS 6 HB1 HIS 6 9.528 -4.120 7.455
34 HD2 HIS 6 HD2 HIS 6 12.635 -4.186 9.809
35 HE1 HIS 6 HE1 HIS 6 11.243 -8.154 9.437
36 HE2 HIS 6 HE2 HIS 6 12.849 -6.636 10.687
37 H ALA 7 HN ALA 7 12.069 -1.717 5.346
38 HA ALA 7 HA ALA 7 11.238 -0.128 3.908
39 HB1 ALA 7 HB1 ALA 7 10.731 -2.673 2.715
40 HB2 ALA 7 HB2 ALA 7 10.982 -1.120 1.917
41 HB3 ALA 7 HB3 ALA 7 9.356 -1.620 2.384
42 HA PRO 8 HA PRO 8 9.487 0.383 1.951
43 HB2 PRO 8 HB2 PRO 8 8.617 2.995 1.850
44 HB3 PRO 8 HB1 PRO 8 7.634 1.597 1.378
45 HG2 PRO 8 HG2 PRO 8 7.586 3.188 3.883
46 HG3 PRO 8 HG1 PRO 8 6.254 2.428 2.996
47 HD2 PRO 8 HD2 PRO 8 7.334 1.362 5.282
48 HD3 PRO 8 HD1 PRO 8 6.565 0.382 4.015
49 H DAL 9 HN DAL 9 11.221 1.627 1.198
50 HA DAL 9 HA DAL 9 13.447 2.242 1.672
51 HB1 DAL 9 HB2 DAL 9 12.649 3.549 4.241
52 HB2 DAL 9 HB3 DAL 9 12.778 1.791 4.179
53 H MET 10 HN MET 10 14.404 4.580 2.460
54 HA MET 10 HA MET 10 13.014 6.923 2.276
55 HB2 MET 10 HB2 MET 10 15.760 6.075 1.613
56 HB3 MET 10 HB1 MET 10 15.229 7.557 0.816
57 HG2 MET 10 HG2 MET 10 14.356 8.201 3.210
58 HG3 MET 10 HG1 MET 10 15.515 6.986 3.752
59 HE1 MET 10 HE1 MET 10 18.797 8.140 2.077
60 HE2 MET 10 HE2 MET 10 17.563 7.604 0.939
61 HE3 MET 10 HE3 MET 10 17.751 6.772 2.481
62 HA PRO 11 HA PRO 11 13.105 7.099 -2.485
63 HB2 PRO 11 HB2 PRO 11 14.347 5.113 -3.878
64 HB3 PRO 11 HB1 PRO 11 15.194 6.548 -3.275
65 HG2 PRO 11 HG2 PRO 11 15.107 3.795 -2.138
66 HG3 PRO 11 HG1 PRO 11 16.464 4.928 -2.253
67 HD2 PRO 11 HD2 PRO 11 15.038 4.526 0.050
68 HD3 PRO 11 HD1 PRO 11 15.854 6.057 -0.340
69 HA PRO 12 HA PRO 12 9.650 4.181 -2.290
70 HB2 PRO 12 HB2 PRO 12 7.973 5.705 -3.833
71 HB3 PRO 12 HB1 PRO 12 8.234 5.978 -2.101
72 HG2 PRO 12 HG2 PRO 12 9.382 7.412 -4.438
73 HG3 PRO 12 HG1 PRO 12 8.850 8.045 -2.870
74 HD2 PRO 12 HD2 PRO 12 11.487 7.628 -3.503
75 HD3 PRO 12 HD1 PRO 12 10.860 7.561 -1.841
76 H DAL 13 HN DAL 13 10.777 2.596 -3.581
77 HA DAL 13 HA DAL 13 9.934 2.642 -6.409
78 HB1 DAL 13 HB2 DAL 13 10.884 0.076 -5.444
79 HB2 DAL 13 HB3 DAL 13 9.593 0.709 -4.422
80 H TYR 14 HN TYR 14 12.680 2.417 -4.292
81 HA TYR 14 HA TYR 14 14.547 3.042 -6.306
82 HB2 TYR 14 HB2 TYR 14 14.934 3.414 -3.900
83 HB3 TYR 14 HB1 TYR 14 15.027 1.676 -3.649
84 HD1 TYR 14 HD1 TYR 14 16.635 4.582 -5.277
85 HD2 TYR 14 HD2 TYR 14 16.983 0.422 -4.275
86 HE1 TYR 14 HE1 TYR 14 19.033 4.635 -5.900
87 HE2 TYR 14 HE2 TYR 14 19.383 0.471 -4.900
88 HH TYR 14 HH TYR 14 20.903 3.466 -6.111
89 H TRP 15 HN TRP 15 13.707 -0.033 -4.766
90 HA TRP 15 HA TRP 15 15.509 -1.549 -6.456
91 HB2 TRP 15 HB2 TRP 15 13.391 -2.937 -4.906
92 HB3 TRP 15 HB1 TRP 15 15.114 -3.291 -5.027
93 HD1 TRP 15 HD1 TRP 15 16.698 -2.284 -3.226
94 HE1 TRP 15 HE1 TRP 15 16.321 -0.863 -1.103
95 HE3 TRP 15 HE3 TRP 15 11.798 -1.010 -3.876
96 HZ2 TRP 15 HZ2 TRP 15 14.215 0.611 0.149
97 HZ3 TRP 15 HZ3 TRP 15 10.633 0.402 -2.207
98 HH2 TRP 15 HH2 TRP 15 11.834 1.213 -0.197
99 H GLU 16 HN GLU 16 12.639 -0.081 -6.996
100 HA GLU 16 HA GLU 16 10.829 -0.434 -8.383
101 HB2 GLU 16 HB2 GLU 16 11.457 -1.113 -10.640
102 HB3 GLU 16 HB1 GLU 16 12.681 -0.030 -9.977
103 HG2 GLU 16 HG2 GLU 16 14.084 -1.955 -9.379
104 HG3 GLU 16 HG1 GLU 16 12.856 -3.057 -9.999
105 H GLY 17 HN GLY 17 11.576 -2.633 -6.435
106 HA2 GLY 17 HA2 GLY 17 10.163 -4.847 -7.802
107 HA3 GLY 17 HA1 GLY 17 11.385 -5.096 -6.559
108 H GLU 18 HN GLU 18 10.691 -3.293 -4.637
109 HA GLU 18 HA GLU 18 8.538 -4.588 -3.320
110 HB2 GLU 18 HB2 GLU 18 9.989 -2.000 -2.733
111 HB3 GLU 18 HB1 GLU 18 8.794 -2.721 -1.656
112 HG2 GLU 18 HG2 GLU 18 10.141 -4.754 -1.470
113 HG3 GLU 18 HG1 GLU 18 11.314 -4.107 -2.615
114 H CYS 19 HN CYS 19 8.811 -1.517 -5.055
115 HA CYS 19 HA CYS 19 6.081 -0.756 -4.475
116 HB2 CYS 19 HB2 CYS 19 6.607 1.069 -6.174
117 HB3 CYS 19 HB1 CYS 19 7.616 1.045 -4.727
Start of MODEL 3
1 H1 ALA 1 HT1 ALA 1 21.214 -0.396 2.763
2 H2 ALA 1 HT2 ALA 1 22.845 -0.640 2.352
3 H3 ALA 1 HT3 ALA 1 21.782 0.072 1.234
4 HA ALA 1 HA ALA 1 22.977 1.229 3.663
5 HB1 ALA 1 HB1 ALA 1 22.494 2.894 1.306
6 HB2 ALA 1 HB2 ALA 1 23.458 1.463 0.939
7 HB3 ALA 1 HB3 ALA 1 23.997 2.596 2.178
8 H ALA 2 HN ALA 2 20.382 1.851 1.284
9 HA ALA 2 HA ALA 2 19.119 3.863 2.850
10 HB1 ALA 2 HB1 ALA 2 17.476 2.320 0.925
11 HB2 ALA 2 HB2 ALA 2 18.909 3.110 0.266
12 HB3 ALA 2 HB3 ALA 2 17.678 4.064 1.094
13 H CYS 3 HN CYS 3 17.319 3.766 4.166
14 HA CYS 3 HA CYS 3 15.694 2.844 5.524
15 HB2 CYS 3 HB2 CYS 3 16.244 0.142 4.311
16 HB3 CYS 3 HB1 CYS 3 14.747 0.748 5.019
17 H HIS 4 HN HIS 4 18.612 0.903 5.023
18 HA HIS 4 HA HIS 4 20.087 -0.036 6.515
19 HB2 HIS 4 HB2 HIS 4 18.645 1.760 8.482
20 HB3 HIS 4 HB1 HIS 4 20.154 0.904 8.802
21 HD2 HIS 4 HD2 HIS 4 18.943 4.140 7.045
22 HE1 HIS 4 HE1 HIS 4 23.065 3.749 6.216
23 HE2 HIS 4 HE2 HIS 4 21.066 5.306 6.063
24 H ASN 5 HN ASN 5 16.811 -0.511 6.569
25 HA ASN 5 HA ASN 5 17.088 -2.794 8.419
26 HB2 ASN 5 HB2 ASN 5 14.821 -0.819 8.192
27 HB3 ASN 5 HB1 ASN 5 14.621 -2.404 8.939
28 HD21 ASN 5 HD21 ASN 5 17.523 -2.249 9.943
29 HD22 ASN 5 HD22 ASN 5 17.439 -1.212 11.280
30 H HIS 6 HN HIS 6 14.070 -2.101 6.914
31 HA HIS 6 HA HIS 6 14.555 -3.775 4.591
32 HB2 HIS 6 HB2 HIS 6 13.030 -5.521 5.149
33 HB3 HIS 6 HB1 HIS 6 14.112 -5.354 6.531
34 HD2 HIS 6 HD2 HIS 6 10.335 -4.985 5.706
35 HE1 HIS 6 HE1 HIS 6 10.876 -3.695 9.690
36 HE2 HIS 6 HE2 HIS 6 9.148 -4.280 7.923
37 H ALA 7 HN ALA 7 12.623 -3.926 3.204
38 HA ALA 7 HA ALA 7 11.469 -1.482 2.671
39 HB1 ALA 7 HB1 ALA 7 11.480 -3.481 1.156
40 HB2 ALA 7 HB2 ALA 7 9.931 -2.642 1.225
41 HB3 ALA 7 HB3 ALA 7 10.158 -4.149 2.112
42 HA PRO 8 HA PRO 8 9.421 -0.755 1.730
43 HB2 PRO 8 HB2 PRO 8 8.454 1.693 2.540
44 HB3 PRO 8 HB1 PRO 8 7.432 0.346 2.004
45 HG2 PRO 8 HG2 PRO 8 8.037 1.288 4.751
46 HG3 PRO 8 HG1 PRO 8 6.543 0.607 4.088
47 HD2 PRO 8 HD2 PRO 8 8.285 -0.832 5.650
48 HD3 PRO 8 HD1 PRO 8 7.221 -1.570 4.432
49 H DAL 9 HN DAL 9 10.933 0.623 0.885
50 HA DAL 9 HA DAL 9 13.182 1.327 0.960
51 HB1 DAL 9 HB2 DAL 9 12.989 2.220 3.793
52 HB2 DAL 9 HB3 DAL 9 13.057 0.486 3.482
53 H MET 10 HN MET 10 14.185 3.590 1.963
54 HA MET 10 HA MET 10 12.386 5.763 2.202
55 HB2 MET 10 HB2 MET 10 14.548 6.152 3.033
56 HB3 MET 10 HB1 MET 10 15.320 5.538 1.574
57 HG2 MET 10 HG2 MET 10 13.502 7.826 1.135
58 HG3 MET 10 HG1 MET 10 14.931 8.197 2.099
59 HE1 MET 10 HE1 MET 10 17.346 7.208 1.390
60 HE2 MET 10 HE2 MET 10 17.001 8.919 1.148
61 HE3 MET 10 HE3 MET 10 17.865 8.018 -0.094
62 HA PRO 11 HA PRO 11 13.342 6.636 -2.449
63 HB2 PRO 11 HB2 PRO 11 14.449 4.581 -3.876
64 HB3 PRO 11 HB1 PRO 11 15.400 5.845 -3.081
65 HG2 PRO 11 HG2 PRO 11 14.814 3.072 -2.152
66 HG3 PRO 11 HG1 PRO 11 16.322 3.999 -2.059
67 HD2 PRO 11 HD2 PRO 11 14.672 3.699 0.075
68 HD3 PRO 11 HD1 PRO 11 15.644 5.166 -0.178
69 HA PRO 12 HA PRO 12 9.476 4.280 -2.852
70 HB2 PRO 12 HB2 PRO 12 8.753 6.588 -4.549
71 HB3 PRO 12 HB1 PRO 12 7.942 5.951 -3.107
72 HG2 PRO 12 HG2 PRO 12 9.286 8.257 -3.052
73 HG3 PRO 12 HG1 PRO 12 9.264 7.151 -1.666
74 HD2 PRO 12 HD2 PRO 12 11.436 7.565 -3.704
75 HD3 PRO 12 HD1 PRO 12 11.571 7.331 -1.945
76 H DAL 13 HN DAL 13 10.342 2.618 -4.167
77 HA DAL 13 HA DAL 13 10.008 3.096 -7.065
78 HB1 DAL 13 HB2 DAL 13 10.151 0.308 -6.185
79 HB2 DAL 13 HB3 DAL 13 8.820 1.202 -5.451
80 H TYR 14 HN TYR 14 12.270 2.272 -4.627
81 HA TYR 14 HA TYR 14 14.497 2.417 -6.344
82 HB2 TYR 14 HB2 TYR 14 14.588 2.809 -3.913
83 HB3 TYR 14 HB1 TYR 14 14.294 1.101 -3.627
84 HD1 TYR 14 HD1 TYR 14 16.681 3.567 -5.001
85 HD2 TYR 14 HD2 TYR 14 16.021 -0.546 -3.960
86 HE1 TYR 14 HE1 TYR 14 19.103 3.117 -5.256
87 HE2 TYR 14 HE2 TYR 14 18.445 -1.000 -4.215
88 HH TYR 14 HH TYR 14 20.401 -0.174 -4.952
89 H TRP 15 HN TRP 15 12.807 -0.339 -4.923
90 HA TRP 15 HA TRP 15 14.492 -2.301 -6.186
91 HB2 TRP 15 HB2 TRP 15 11.796 -3.083 -5.222
92 HB3 TRP 15 HB1 TRP 15 13.363 -3.830 -4.914
93 HD1 TRP 15 HD1 TRP 15 14.625 -3.155 -2.747
94 HE1 TRP 15 HE1 TRP 15 14.093 -1.571 -0.776
95 HE3 TRP 15 HE3 TRP 15 10.529 -0.756 -4.623
96 HZ2 TRP 15 HZ2 TRP 15 12.176 0.435 -0.092
97 HZ3 TRP 15 HZ3 TRP 15 9.375 0.988 -3.297
98 HH2 TRP 15 HH2 TRP 15 10.189 1.585 -1.035
99 H GLU 16 HN GLU 16 12.153 -0.260 -7.321
100 HA GLU 16 HA GLU 16 10.717 -0.247 -9.120
101 HB2 GLU 16 HB2 GLU 16 11.699 -1.120 -11.184
102 HB3 GLU 16 HB1 GLU 16 12.922 -0.278 -10.232
103 HG2 GLU 16 HG2 GLU 16 13.797 -2.380 -9.393
104 HG3 GLU 16 HG1 GLU 16 12.494 -3.277 -10.172
105 H GLY 17 HN GLY 17 10.477 -2.489 -7.109
106 HA2 GLY 17 HA2 GLY 17 8.986 -4.385 -8.828
107 HA3 GLY 17 HA1 GLY 17 9.814 -4.868 -7.351
108 H GLU 18 HN GLU 18 9.105 -2.901 -5.592
109 HA GLU 18 HA GLU 18 6.480 -3.676 -4.830
110 HB2 GLU 18 HB2 GLU 18 8.295 -1.466 -3.846
111 HB3 GLU 18 HB1 GLU 18 6.755 -1.877 -3.093
112 HG2 GLU 18 HG2 GLU 18 9.046 -3.819 -3.500
113 HG3 GLU 18 HG1 GLU 18 8.684 -2.998 -1.984
114 H CYS 19 HN CYS 19 7.800 -0.850 -6.467
115 HA CYS 19 HA CYS 19 5.203 0.479 -6.501
116 HB2 CYS 19 HB2 CYS 19 6.485 2.224 -7.807
117 HB3 CYS 19 HB1 CYS 19 7.083 1.927 -6.174
Start of MODEL 4
1 H1 ALA 1 HT1 ALA 1 22.044 3.320 2.400
2 H2 ALA 1 HT2 ALA 1 21.813 1.906 1.487
3 H3 ALA 1 HT3 ALA 1 23.063 1.985 2.635
4 HA ALA 1 HA ALA 1 20.908 0.734 3.229
5 HB1 ALA 1 HB1 ALA 1 21.135 2.111 5.577
6 HB2 ALA 1 HB2 ALA 1 22.657 2.533 4.792
7 HB3 ALA 1 HB3 ALA 1 22.248 0.840 5.069
8 H ALA 2 HN ALA 2 19.505 2.128 1.575
9 HA ALA 2 HA ALA 2 18.170 4.438 2.514
10 HB1 ALA 2 HB1 ALA 2 17.984 2.631 0.257
11 HB2 ALA 2 HB2 ALA 2 17.534 4.333 0.364
12 HB3 ALA 2 HB3 ALA 2 16.383 3.083 0.839
13 H CYS 3 HN CYS 3 17.463 0.986 2.802
14 HA CYS 3 HA CYS 3 15.094 1.605 4.433
15 HB2 CYS 3 HB2 CYS 3 15.805 -0.524 2.602
16 HB3 CYS 3 HB1 CYS 3 15.337 -1.175 4.172
17 H HIS 4 HN HIS 4 18.336 0.430 4.617
18 HA HIS 4 HA HIS 4 19.659 -0.043 6.440
19 HB2 HIS 4 HB2 HIS 4 17.197 0.769 8.005
20 HB3 HIS 4 HB1 HIS 4 18.789 0.468 8.703
21 HD2 HIS 4 HD2 HIS 4 16.862 3.405 7.261
22 HE1 HIS 4 HE1 HIS 4 20.936 4.461 6.928
23 HE2 HIS 4 HE2 HIS 4 18.556 5.335 6.789
24 H ASN 5 HN ASN 5 16.333 -1.281 6.594
25 HA ASN 5 HA ASN 5 17.444 -3.925 7.277
26 HB2 ASN 5 HB2 ASN 5 16.463 -2.740 9.298
27 HB3 ASN 5 HB1 ASN 5 14.898 -2.850 8.494
28 HD21 ASN 5 HD21 ASN 5 13.956 -4.412 9.928
29 HD22 ASN 5 HD22 ASN 5 14.546 -5.998 10.064
30 H HIS 6 HN HIS 6 14.200 -2.546 6.730
31 HA HIS 6 HA HIS 6 13.942 -3.959 4.204
32 HB2 HIS 6 HB2 HIS 6 11.932 -5.209 4.909
33 HB3 HIS 6 HB1 HIS 6 13.365 -5.727 5.796
34 HD2 HIS 6 HD2 HIS 6 9.857 -4.364 6.546
35 HE1 HIS 6 HE1 HIS 6 12.073 -3.960 10.118
36 HE2 HIS 6 HE2 HIS 6 9.747 -3.848 9.103
37 H ALA 7 HN ALA 7 11.907 -3.435 3.109
38 HA ALA 7 HA ALA 7 11.323 -0.807 2.870
39 HB1 ALA 7 HB1 ALA 7 10.314 -3.004 1.718
40 HB2 ALA 7 HB2 ALA 7 9.543 -1.425 1.574
41 HB3 ALA 7 HB3 ALA 7 8.949 -2.590 2.757
42 HA PRO 8 HA PRO 8 9.271 0.368 2.353
43 HB2 PRO 8 HB2 PRO 8 9.072 2.993 3.154
44 HB3 PRO 8 HB1 PRO 8 7.690 1.891 3.009
45 HG2 PRO 8 HG2 PRO 8 9.164 2.774 5.426
46 HG3 PRO 8 HG1 PRO 8 7.443 2.418 5.214
47 HD2 PRO 8 HD2 PRO 8 9.209 0.691 6.423
48 HD3 PRO 8 HD1 PRO 8 7.724 0.166 5.602
49 H DAL 9 HN DAL 9 10.795 1.305 1.059
50 HA DAL 9 HA DAL 9 13.094 1.480 0.556
51 HB1 DAL 9 HB2 DAL 9 14.749 1.862 2.229
52 HB2 DAL 9 HB3 DAL 9 13.543 2.386 3.403
53 H MET 10 HN MET 10 14.587 3.694 1.903
54 HA MET 10 HA MET 10 13.347 6.129 1.965
55 HB2 MET 10 HB2 MET 10 15.600 6.277 2.441
56 HB3 MET 10 HB1 MET 10 16.065 5.245 1.090
57 HG2 MET 10 HG2 MET 10 15.483 7.054 -0.493
58 HG3 MET 10 HG1 MET 10 15.020 8.085 0.860
59 HE1 MET 10 HE1 MET 10 18.939 7.748 -1.097
60 HE2 MET 10 HE2 MET 10 17.407 8.484 -1.563
61 HE3 MET 10 HE3 MET 10 17.522 6.733 -1.403
62 HA PRO 11 HA PRO 11 13.663 6.802 -2.765
63 HB2 PRO 11 HB2 PRO 11 14.629 4.762 -4.304
64 HB3 PRO 11 HB1 PRO 11 15.657 6.020 -3.598
65 HG2 PRO 11 HG2 PRO 11 15.169 3.237 -2.647
66 HG3 PRO 11 HG1 PRO 11 16.675 4.168 -2.690
67 HD2 PRO 11 HD2 PRO 11 15.219 3.834 -0.411
68 HD3 PRO 11 HD1 PRO 11 16.193 5.289 -0.727
69 HA PRO 12 HA PRO 12 9.767 4.491 -2.749
70 HB2 PRO 12 HB2 PRO 12 8.982 6.683 -4.582
71 HB3 PRO 12 HB1 PRO 12 8.231 6.158 -3.065
72 HG2 PRO 12 HG2 PRO 12 9.612 8.435 -3.226
73 HG3 PRO 12 HG1 PRO 12 9.644 7.423 -1.771
74 HD2 PRO 12 HD2 PRO 12 11.719 7.681 -3.928
75 HD3 PRO 12 HD1 PRO 12 11.937 7.524 -2.170
76 H DAL 13 HN DAL 13 10.562 2.712 -3.978
77 HA DAL 13 HA DAL 13 9.814 2.855 -6.815
78 HB1 DAL 13 HB2 DAL 13 10.497 0.207 -5.990
79 HB2 DAL 13 HB3 DAL 13 9.445 0.923 -4.770
80 H TYR 14 HN TYR 14 12.568 2.251 -4.748
81 HA TYR 14 HA TYR 14 14.449 2.706 -6.809
82 HB2 TYR 14 HB2 TYR 14 14.947 3.004 -4.418
83 HB3 TYR 14 HB1 TYR 14 14.825 1.267 -4.173
84 HD1 TYR 14 HD1 TYR 14 16.764 3.971 -5.762
85 HD2 TYR 14 HD2 TYR 14 16.565 -0.235 -4.926
86 HE1 TYR 14 HE1 TYR 14 19.134 3.726 -6.448
87 HE2 TYR 14 HE2 TYR 14 18.938 -0.484 -5.614
88 HH TYR 14 HH TYR 14 20.564 1.635 -7.399
89 H TRP 15 HN TRP 15 13.246 -0.256 -5.294
90 HA TRP 15 HA TRP 15 14.846 -1.995 -6.946
91 HB2 TRP 15 HB2 TRP 15 12.430 -3.015 -5.551
92 HB3 TRP 15 HB1 TRP 15 14.054 -3.696 -5.622
93 HD1 TRP 15 HD1 TRP 15 15.725 -3.059 -3.735
94 HE1 TRP 15 HE1 TRP 15 15.547 -1.651 -1.581
95 HE3 TRP 15 HE3 TRP 15 11.184 -0.863 -4.497
96 HZ2 TRP 15 HZ2 TRP 15 13.713 0.157 -0.343
97 HZ3 TRP 15 HZ3 TRP 15 10.242 0.694 -2.817
98 HH2 TRP 15 HH2 TRP 15 11.499 1.208 -0.742
99 H GLU 16 HN GLU 16 12.201 -0.119 -7.551
100 HA GLU 16 HA GLU 16 10.450 -0.176 -9.051
101 HB2 GLU 16 HB2 GLU 16 11.129 -0.816 -11.310
102 HB3 GLU 16 HB1 GLU 16 12.420 0.091 -10.522
103 HG2 GLU 16 HG2 GLU 16 13.564 -2.009 -9.952
104 HG3 GLU 16 HG1 GLU 16 12.268 -2.932 -10.712
105 H GLY 17 HN GLY 17 10.541 -2.388 -7.147
106 HA2 GLY 17 HA2 GLY 17 8.875 -4.282 -8.669
107 HA3 GLY 17 HA1 GLY 17 10.176 -4.903 -7.659
108 H GLU 18 HN GLU 18 9.998 -3.225 -5.466
109 HA GLU 18 HA GLU 18 7.886 -4.415 -3.993
110 HB2 GLU 18 HB2 GLU 18 9.918 -2.282 -3.442
111 HB3 GLU 18 HB1 GLU 18 8.592 -2.533 -2.307
112 HG2 GLU 18 HG2 GLU 18 10.340 -3.941 -1.526
113 HG3 GLU 18 HG1 GLU 18 9.224 -5.020 -2.364
114 H CYS 19 HN CYS 19 8.303 -1.248 -5.492
115 HA CYS 19 HA CYS 19 5.799 -0.243 -4.438
116 HB2 CYS 19 HB2 CYS 19 6.319 1.683 -6.020
117 HB3 CYS 19 HB1 CYS 19 7.501 1.391 -4.744
Start of MODEL 5
1 H1 ALA 1 HT1 ALA 1 16.422 -2.558 -2.339
2 H2 ALA 1 HT2 ALA 1 15.270 -3.801 -2.210
3 H3 ALA 1 HT3 ALA 1 16.866 -4.060 -1.687
4 HA ALA 1 HA ALA 1 15.021 -2.070 -0.488
5 HB1 ALA 1 HB1 ALA 1 15.062 -4.909 -0.227
6 HB2 ALA 1 HB2 ALA 1 14.107 -3.750 0.697
7 HB3 ALA 1 HB3 ALA 1 15.706 -4.228 1.268
8 H ALA 2 HN ALA 2 17.153 -0.859 -0.983
9 HA ALA 2 HA ALA 2 19.523 -1.462 0.423
10 HB1 ALA 2 HB1 ALA 2 20.268 0.327 -0.702
11 HB2 ALA 2 HB2 ALA 2 19.136 1.384 0.140
12 HB3 ALA 2 HB3 ALA 2 18.636 0.550 -1.330
13 H CYS 3 HN CYS 3 16.642 0.372 1.298
14 HA CYS 3 HA CYS 3 17.293 1.775 3.501
15 HB2 CYS 3 HB2 CYS 3 14.922 0.327 2.643
16 HB3 CYS 3 HB1 CYS 3 15.058 0.372 4.401
17 H HIS 4 HN HIS 4 18.662 1.330 5.081
18 HA HIS 4 HA HIS 4 19.569 -1.180 5.860
19 HB2 HIS 4 HB2 HIS 4 19.403 1.371 7.481
20 HB3 HIS 4 HB1 HIS 4 20.357 -0.044 7.925
21 HD2 HIS 4 HD2 HIS 4 20.398 2.795 5.184
22 HE1 HIS 4 HE1 HIS 4 24.062 0.711 4.999
23 HE2 HIS 4 HE2 HIS 4 22.780 2.716 4.119
24 H ASN 5 HN ASN 5 16.938 0.777 7.240
25 HA ASN 5 HA ASN 5 16.320 -1.001 9.360
26 HB2 ASN 5 HB2 ASN 5 14.715 1.131 7.945
27 HB3 ASN 5 HB1 ASN 5 14.084 0.210 9.312
28 HD21 ASN 5 HD21 ASN 5 16.966 0.103 10.437
29 HD22 ASN 5 HD22 ASN 5 17.173 1.632 11.143
30 H HIS 6 HN HIS 6 13.434 -0.496 7.791
31 HA HIS 6 HA HIS 6 13.470 -3.093 6.404
32 HB2 HIS 6 HB2 HIS 6 11.500 -2.249 8.537
33 HB3 HIS 6 HB1 HIS 6 11.235 -3.603 7.437
34 HD2 HIS 6 HD2 HIS 6 12.928 -2.967 10.792
35 HE1 HIS 6 HE1 HIS 6 14.620 -6.543 9.314
36 HE2 HIS 6 HE2 HIS 6 14.400 -5.050 11.358
37 H ALA 7 HN ALA 7 12.107 -3.240 4.656
38 HA ALA 7 HA ALA 7 11.420 -0.877 3.316
39 HB1 ALA 7 HB1 ALA 7 9.931 -3.367 2.659
40 HB2 ALA 7 HB2 ALA 7 11.690 -3.411 2.520
41 HB3 ALA 7 HB3 ALA 7 10.760 -2.234 1.592
42 HA PRO 8 HA PRO 8 9.770 -0.513 1.603
43 HB2 PRO 8 HB2 PRO 8 8.614 1.980 1.431
44 HB3 PRO 8 HB1 PRO 8 7.797 0.474 0.973
45 HG2 PRO 8 HG2 PRO 8 7.513 2.112 3.426
46 HG3 PRO 8 HG1 PRO 8 6.301 1.162 2.549
47 HD2 PRO 8 HD2 PRO 8 7.492 0.318 4.887
48 HD3 PRO 8 HD1 PRO 8 6.823 -0.787 3.668
49 H DAL 9 HN DAL 9 11.288 1.015 0.837
50 HA DAL 9 HA DAL 9 13.421 1.904 1.310
51 HB1 DAL 9 HB2 DAL 9 12.518 3.020 3.929
52 HB2 DAL 9 HB3 DAL 9 12.832 1.289 3.814
53 H MET 10 HN MET 10 13.281 4.412 3.090
54 HA MET 10 HA MET 10 11.668 6.404 2.523
55 HB2 MET 10 HB2 MET 10 14.312 7.223 1.594
56 HB3 MET 10 HB1 MET 10 13.402 7.758 3.007
57 HG2 MET 10 HG2 MET 10 14.132 5.847 4.289
58 HG3 MET 10 HG1 MET 10 14.863 5.108 2.865
59 HE1 MET 10 HE1 MET 10 16.578 7.383 1.368
60 HE2 MET 10 HE2 MET 10 16.725 5.664 1.726
61 HE3 MET 10 HE3 MET 10 18.029 6.764 2.169
62 HA PRO 11 HA PRO 11 13.152 6.958 -2.084
63 HB2 PRO 11 HB2 PRO 11 14.219 4.251 -2.643
64 HB3 PRO 11 HB1 PRO 11 14.871 5.837 -3.092
65 HG2 PRO 11 HG2 PRO 11 16.018 4.378 -1.186
66 HG3 PRO 11 HG1 PRO 11 15.912 6.142 -1.063
67 HD2 PRO 11 HD2 PRO 11 14.258 4.055 0.326
68 HD3 PRO 11 HD1 PRO 11 14.910 5.588 0.954
69 HA PRO 12 HA PRO 12 9.192 4.768 -2.557
70 HB2 PRO 12 HB2 PRO 12 8.170 6.602 -4.337
71 HB3 PRO 12 HB1 PRO 12 8.108 6.786 -2.574
72 HG2 PRO 12 HG2 PRO 12 9.983 8.003 -4.539
73 HG3 PRO 12 HG1 PRO 12 9.235 8.716 -3.099
74 HD2 PRO 12 HD2 PRO 12 11.819 7.852 -3.123
75 HD3 PRO 12 HD1 PRO 12 10.807 7.789 -1.663
76 H DAL 13 HN DAL 13 10.153 2.984 -3.678
77 HA DAL 13 HA DAL 13 9.458 2.854 -6.449
78 HB1 DAL 13 HB2 DAL 13 11.227 0.732 -5.502
79 HB2 DAL 13 HB3 DAL 13 9.859 1.009 -4.424
80 H TYR 14 HN TYR 14 12.383 3.533 -4.702
81 HA TYR 14 HA TYR 14 13.742 4.519 -6.967
82 HB2 TYR 14 HB2 TYR 14 14.328 5.218 -4.720
83 HB3 TYR 14 HB1 TYR 14 14.809 3.579 -4.297
84 HD1 TYR 14 HD1 TYR 14 15.516 6.286 -6.777
85 HD2 TYR 14 HD2 TYR 14 17.031 2.906 -4.606
86 HE1 TYR 14 HE1 TYR 14 17.786 6.740 -7.660
87 HE2 TYR 14 HE2 TYR 14 19.304 3.355 -5.492
88 HH TYR 14 HH TYR 14 20.474 5.732 -6.426
89 H TRP 15 HN TRP 15 13.974 1.444 -5.236
90 HA TRP 15 HA TRP 15 15.986 0.365 -6.992
91 HB2 TRP 15 HB2 TRP 15 14.277 -1.412 -5.307
92 HB3 TRP 15 HB1 TRP 15 16.022 -1.443 -5.564
93 HD1 TRP 15 HD1 TRP 15 17.527 -0.072 -3.935
94 HE1 TRP 15 HE1 TRP 15 17.054 1.294 -1.797
95 HE3 TRP 15 HE3 TRP 15 12.432 0.158 -4.143
96 HZ2 TRP 15 HZ2 TRP 15 14.808 2.341 -0.367
97 HZ3 TRP 15 HZ3 TRP 15 11.152 1.345 -2.385
98 HH2 TRP 15 HH2 TRP 15 12.333 2.436 -0.497
99 H GLU 16 HN GLU 16 12.795 1.034 -7.414
100 HA GLU 16 HA GLU 16 11.096 0.213 -8.741
101 HB2 GLU 16 HB2 GLU 16 11.818 -0.342 -11.022
102 HB3 GLU 16 HB1 GLU 16 12.672 1.076 -10.418
103 HG2 GLU 16 HG2 GLU 16 14.604 -0.331 -9.823
104 HG3 GLU 16 HG1 GLU 16 13.753 -1.757 -10.417
105 H GLY 17 HN GLY 17 12.109 -1.639 -6.743
106 HA2 GLY 17 HA2 GLY 17 11.264 -4.149 -8.041
107 HA3 GLY 17 HA1 GLY 17 12.701 -4.128 -7.023
108 H GLU 18 HN GLU 18 11.898 -2.469 -4.970
109 HA GLU 18 HA GLU 18 10.379 -4.244 -3.351
110 HB2 GLU 18 HB2 GLU 18 11.223 -1.368 -2.933
111 HB3 GLU 18 HB1 GLU 18 10.449 -2.360 -1.695
112 HG2 GLU 18 HG2 GLU 18 13.033 -3.072 -3.113
113 HG3 GLU 18 HG1 GLU 18 12.932 -2.369 -1.500
114 H CYS 19 HN CYS 19 9.619 -1.185 -4.973
115 HA CYS 19 HA CYS 19 6.999 -0.912 -3.920
116 HB2 CYS 19 HB2 CYS 19 6.784 0.474 -6.177
117 HB3 CYS 19 HB1 CYS 19 7.733 1.075 -4.817
Start of MODEL 6
1 H1 ALA 1 HT1 ALA 1 22.636 0.072 5.037
2 H2 ALA 1 HT2 ALA 1 23.173 1.647 4.698
3 H3 ALA 1 HT3 ALA 1 23.905 0.315 3.939
4 HA ALA 1 HA ALA 1 22.484 1.291 2.341
5 HB1 ALA 1 HB1 ALA 1 21.462 -0.647 1.697
6 HB2 ALA 1 HB2 ALA 1 20.650 -0.853 3.249
7 HB3 ALA 1 HB3 ALA 1 22.340 -1.326 3.069
8 H ALA 2 HN ALA 2 20.278 1.939 1.745
9 HA ALA 2 HA ALA 2 19.139 3.693 3.662
10 HB1 ALA 2 HB1 ALA 2 18.615 4.499 1.603
11 HB2 ALA 2 HB2 ALA 2 17.190 3.476 1.783
12 HB3 ALA 2 HB3 ALA 2 18.584 2.895 0.871
13 H CYS 3 HN CYS 3 17.279 3.545 4.866
14 HA CYS 3 HA CYS 3 15.514 2.576 5.985
15 HB2 CYS 3 HB2 CYS 3 15.376 0.153 4.309
16 HB3 CYS 3 HB1 CYS 3 14.102 1.282 4.769
17 H HIS 4 HN HIS 4 18.055 0.355 4.897
18 HA HIS 4 HA HIS 4 19.129 -1.375 5.960
19 HB2 HIS 4 HB2 HIS 4 19.956 -0.868 8.086
20 HB3 HIS 4 HB1 HIS 4 19.594 0.726 7.423
21 HD2 HIS 4 HD2 HIS 4 17.996 2.203 9.117
22 HE1 HIS 4 HE1 HIS 4 16.242 -0.991 11.247
23 HE2 HIS 4 HE2 HIS 4 16.373 1.537 11.050
24 H ASN 5 HN ASN 5 15.958 -1.116 5.989
25 HA ASN 5 HA ASN 5 15.608 -3.577 7.567
26 HB2 ASN 5 HB2 ASN 5 14.839 -1.629 8.920
27 HB3 ASN 5 HB1 ASN 5 13.691 -1.238 7.641
28 HD21 ASN 5 HD21 ASN 5 14.623 -4.029 9.735
29 HD22 ASN 5 HD22 ASN 5 13.040 -4.627 9.880
30 H HIS 6 HN HIS 6 15.435 -4.850 5.742
31 HA HIS 6 HA HIS 6 14.626 -5.013 3.399
32 HB2 HIS 6 HB2 HIS 6 12.849 -6.286 5.489
33 HB3 HIS 6 HB1 HIS 6 12.807 -6.692 3.773
34 HD2 HIS 6 HD2 HIS 6 15.037 -7.362 6.902
35 HE1 HIS 6 HE1 HIS 6 16.866 -9.264 3.605
36 HE2 HIS 6 HE2 HIS 6 16.922 -8.997 6.130
37 H ALA 7 HN ALA 7 14.043 -2.697 3.047
38 HA ALA 7 HA ALA 7 12.548 -1.052 2.475
39 HB1 ALA 7 HB1 ALA 7 10.254 -2.712 1.936
40 HB2 ALA 7 HB2 ALA 7 11.719 -3.479 1.323
41 HB3 ALA 7 HB3 ALA 7 11.294 -1.848 0.802
42 HA PRO 8 HA PRO 8 10.331 -0.217 1.758
43 HB2 PRO 8 HB2 PRO 8 9.633 2.292 3.090
44 HB3 PRO 8 HB1 PRO 8 8.671 1.320 1.962
45 HG2 PRO 8 HG2 PRO 8 8.082 1.559 4.587
46 HG3 PRO 8 HG1 PRO 8 7.686 0.127 3.625
47 HD2 PRO 8 HD2 PRO 8 9.917 0.507 5.600
48 HD3 PRO 8 HD1 PRO 8 8.920 -0.932 5.283
49 H DAL 9 HN DAL 9 10.989 2.352 1.260
50 HA DAL 9 HA DAL 9 13.600 2.570 0.858
51 HB1 DAL 9 HB2 DAL 9 14.086 4.066 3.123
52 HB2 DAL 9 HB3 DAL 9 13.161 2.702 3.748
53 H MET 10 HN MET 10 14.486 5.014 1.396
54 HA MET 10 HA MET 10 12.647 7.126 1.483
55 HB2 MET 10 HB2 MET 10 15.473 6.783 0.647
56 HB3 MET 10 HB1 MET 10 14.638 8.205 0.017
57 HG2 MET 10 HG2 MET 10 13.904 8.711 2.383
58 HG3 MET 10 HG1 MET 10 14.979 7.421 2.922
59 HE1 MET 10 HE1 MET 10 17.097 8.013 0.268
60 HE2 MET 10 HE2 MET 10 17.377 7.226 1.819
61 HE3 MET 10 HE3 MET 10 18.376 8.597 1.343
62 HA PRO 11 HA PRO 11 12.705 7.379 -3.322
63 HB2 PRO 11 HB2 PRO 11 13.939 5.307 -4.646
64 HB3 PRO 11 HB1 PRO 11 14.734 6.833 -4.227
65 HG2 PRO 11 HG2 PRO 11 14.851 4.204 -2.820
66 HG3 PRO 11 HG1 PRO 11 16.145 5.370 -3.142
67 HD2 PRO 11 HD2 PRO 11 14.968 5.186 -0.713
68 HD3 PRO 11 HD1 PRO 11 15.528 6.743 -1.369
69 HA PRO 12 HA PRO 12 9.305 4.400 -2.783
70 HB2 PRO 12 HB2 PRO 12 7.917 6.323 -4.543
71 HB3 PRO 12 HB1 PRO 12 7.479 5.757 -2.921
72 HG2 PRO 12 HG2 PRO 12 8.375 8.232 -3.340
73 HG3 PRO 12 HG1 PRO 12 8.780 7.327 -1.872
74 HD2 PRO 12 HD2 PRO 12 10.482 7.821 -4.303
75 HD3 PRO 12 HD1 PRO 12 10.942 7.851 -2.584
76 H DAL 13 HN DAL 13 10.337 2.786 -4.085
77 HA DAL 13 HA DAL 13 9.494 2.851 -6.921
78 HB1 DAL 13 HB2 DAL 13 10.131 0.233 -5.735
79 HB2 DAL 13 HB3 DAL 13 8.740 1.042 -5.015
80 H TYR 14 HN TYR 14 12.131 2.650 -4.766
81 HA TYR 14 HA TYR 14 14.077 2.863 -6.786
82 HB2 TYR 14 HB2 TYR 14 14.418 3.570 -4.451
83 HB3 TYR 14 HB1 TYR 14 14.414 1.887 -3.942
84 HD1 TYR 14 HD1 TYR 14 16.290 4.535 -5.621
85 HD2 TYR 14 HD2 TYR 14 16.238 0.363 -4.615
86 HE1 TYR 14 HE1 TYR 14 18.703 4.378 -6.163
87 HE2 TYR 14 HE2 TYR 14 18.653 0.200 -5.159
88 HH TYR 14 HH TYR 14 20.675 2.314 -5.187
89 H TRP 15 HN TRP 15 12.945 0.106 -4.894
90 HA TRP 15 HA TRP 15 14.761 -1.762 -6.122
91 HB2 TRP 15 HB2 TRP 15 12.285 -2.716 -4.769
92 HB3 TRP 15 HB1 TRP 15 13.947 -3.284 -4.608
93 HD1 TRP 15 HD1 TRP 15 15.417 -2.245 -2.727
94 HE1 TRP 15 HE1 TRP 15 14.965 -0.538 -0.843
95 HE3 TRP 15 HE3 TRP 15 10.840 -0.512 -4.184
96 HZ2 TRP 15 HZ2 TRP 15 12.928 1.312 -0.062
97 HZ3 TRP 15 HZ3 TRP 15 9.669 1.219 -2.854
98 HH2 TRP 15 HH2 TRP 15 10.706 2.133 -0.796
99 H GLU 16 HN GLU 16 12.142 -0.154 -7.266
100 HA GLU 16 HA GLU 16 10.539 -0.539 -8.882
101 HB2 GLU 16 HB2 GLU 16 11.439 -1.515 -10.925
102 HB3 GLU 16 HB1 GLU 16 12.645 -0.462 -10.189
103 HG2 GLU 16 HG2 GLU 16 13.759 -2.404 -9.185
104 HG3 GLU 16 HG1 GLU 16 12.535 -3.475 -9.869
105 H GLY 17 HN GLY 17 10.842 -2.573 -6.625
106 HA2 GLY 17 HA2 GLY 17 9.360 -4.767 -7.950
107 HA3 GLY 17 HA1 GLY 17 10.462 -5.035 -6.602
108 H GLU 18 HN GLU 18 9.792 -2.950 -4.922
109 HA GLU 18 HA GLU 18 7.483 -3.964 -3.625
110 HB2 GLU 18 HB2 GLU 18 9.043 -1.403 -3.226
111 HB3 GLU 18 HB1 GLU 18 7.751 -1.948 -2.155
112 HG2 GLU 18 HG2 GLU 18 10.243 -3.548 -2.807
113 HG3 GLU 18 HG1 GLU 18 10.006 -2.610 -1.332
114 H CYS 19 HN CYS 19 8.040 -1.237 -5.779
115 HA CYS 19 HA CYS 19 5.311 -0.267 -5.456
116 HB2 CYS 19 HB2 CYS 19 6.108 1.352 -7.296
117 HB3 CYS 19 HB1 CYS 19 6.867 1.484 -5.710
Start of MODEL 7
1 H1 ALA 1 HT1 ALA 1 22.044 7.394 2.522
2 H2 ALA 1 HT2 ALA 1 20.365 7.154 2.596
3 H3 ALA 1 HT3 ALA 1 21.160 7.152 1.094
4 HA ALA 1 HA ALA 1 22.023 5.074 1.365
5 HB1 ALA 1 HB1 ALA 1 23.187 5.618 3.467
6 HB2 ALA 1 HB2 ALA 1 22.377 4.056 3.590
7 HB3 ALA 1 HB3 ALA 1 21.666 5.479 4.350
8 H ALA 2 HN ALA 2 20.621 3.599 0.664
9 HA ALA 2 HA ALA 2 17.834 3.735 1.242
10 HB1 ALA 2 HB1 ALA 2 18.490 1.174 0.196
11 HB2 ALA 2 HB2 ALA 2 19.531 2.357 -0.597
12 HB3 ALA 2 HB3 ALA 2 17.779 2.547 -0.652
13 H CYS 3 HN CYS 3 16.537 2.373 2.466
14 HA CYS 3 HA CYS 3 17.796 1.220 4.788
15 HB2 CYS 3 HB2 CYS 3 15.472 0.667 5.456
16 HB3 CYS 3 HB1 CYS 3 15.653 2.364 5.014
17 H HIS 4 HN HIS 4 18.740 -0.698 4.708
18 HA HIS 4 HA HIS 4 18.391 -2.630 2.699
19 HB2 HIS 4 HB2 HIS 4 19.371 -3.096 5.525
20 HB3 HIS 4 HB1 HIS 4 19.707 -4.095 4.112
21 HD2 HIS 4 HD2 HIS 4 20.757 -0.583 5.561
22 HE1 HIS 4 HE1 HIS 4 23.294 -1.492 2.309
23 HE2 HIS 4 HE2 HIS 4 22.874 0.140 4.210
24 H ASN 5 HN ASN 5 16.376 -1.818 5.302
25 HA ASN 5 HA ASN 5 15.264 -4.402 5.838
26 HB2 ASN 5 HB2 ASN 5 14.344 -1.586 6.412
27 HB3 ASN 5 HB1 ASN 5 13.398 -3.004 6.869
28 HD21 ASN 5 HD21 ASN 5 14.548 -1.187 8.812
29 HD22 ASN 5 HD22 ASN 5 15.719 -2.049 9.687
30 H HIS 6 HN HIS 6 13.132 -5.109 5.284
31 HA HIS 6 HA HIS 6 12.531 -5.037 2.568
32 HB2 HIS 6 HB2 HIS 6 10.112 -5.649 3.614
33 HB3 HIS 6 HB1 HIS 6 11.439 -6.804 3.496
34 HD2 HIS 6 HD2 HIS 6 12.382 -7.717 5.953
35 HE1 HIS 6 HE1 HIS 6 10.301 -4.976 8.399
36 HE2 HIS 6 HE2 HIS 6 11.797 -7.028 8.403
37 H ALA 7 HN ALA 7 11.229 -3.086 5.223
38 HA ALA 7 HA ALA 7 10.782 -0.781 3.776
39 HB1 ALA 7 HB1 ALA 7 8.100 -1.198 3.774
40 HB2 ALA 7 HB2 ALA 7 8.677 -2.815 3.371
41 HB3 ALA 7 HB3 ALA 7 9.129 -1.439 2.363
42 HA PRO 8 HA PRO 8 8.904 0.775 3.767
43 HB2 PRO 8 HB2 PRO 8 9.521 3.224 5.247
44 HB3 PRO 8 HB1 PRO 8 8.009 2.748 4.455
45 HG2 PRO 8 HG2 PRO 8 8.306 2.900 7.143
46 HG3 PRO 8 HG1 PRO 8 7.167 1.804 6.343
47 HD2 PRO 8 HD2 PRO 8 9.841 1.189 7.553
48 HD3 PRO 8 HD1 PRO 8 8.358 0.211 7.532
49 H DAL 9 HN DAL 9 10.227 2.896 2.935
50 HA DAL 9 HA DAL 9 12.568 2.217 1.876
51 HB1 DAL 9 HB2 DAL 9 14.070 3.488 3.814
52 HB2 DAL 9 HB3 DAL 9 12.964 2.495 4.761
53 H MET 10 HN MET 10 14.282 4.217 1.890
54 HA MET 10 HA MET 10 12.898 6.782 1.999
55 HB2 MET 10 HB2 MET 10 15.701 5.859 1.786
56 HB3 MET 10 HB1 MET 10 15.323 7.354 0.931
57 HG2 MET 10 HG2 MET 10 14.231 8.181 3.061
58 HG3 MET 10 HG1 MET 10 14.902 6.765 3.870
59 HE1 MET 10 HE1 MET 10 18.694 7.135 3.028
60 HE2 MET 10 HE2 MET 10 17.650 6.858 1.635
61 HE3 MET 10 HE3 MET 10 17.322 6.024 3.153
62 HA PRO 11 HA PRO 11 13.942 6.789 -2.706
63 HB2 PRO 11 HB2 PRO 11 15.019 4.464 -3.720
64 HB3 PRO 11 HB1 PRO 11 15.978 5.851 -3.180
65 HG2 PRO 11 HG2 PRO 11 15.346 3.321 -1.732
66 HG3 PRO 11 HG1 PRO 11 16.866 4.230 -1.806
67 HD2 PRO 11 HD2 PRO 11 15.228 4.381 0.339
68 HD3 PRO 11 HD1 PRO 11 16.164 5.787 -0.222
69 HA PRO 12 HA PRO 12 10.008 4.507 -2.812
70 HB2 PRO 12 HB2 PRO 12 9.413 6.519 -4.899
71 HB3 PRO 12 HB1 PRO 12 8.532 6.150 -3.405
72 HG2 PRO 12 HG2 PRO 12 9.951 8.395 -3.679
73 HG3 PRO 12 HG1 PRO 12 9.843 7.539 -2.131
74 HD2 PRO 12 HD2 PRO 12 12.098 7.555 -4.119
75 HD3 PRO 12 HD1 PRO 12 12.164 7.598 -2.342
76 H DAL 13 HN DAL 13 10.917 2.631 -3.799
77 HA DAL 13 HA DAL 13 10.659 2.615 -6.744
78 HB1 DAL 13 HB2 DAL 13 10.670 0.011 -5.418
79 HB2 DAL 13 HB3 DAL 13 9.363 1.056 -4.864
80 H TYR 14 HN TYR 14 12.808 2.120 -4.115
81 HA TYR 14 HA TYR 14 15.096 1.918 -5.747
82 HB2 TYR 14 HB2 TYR 14 15.127 2.691 -3.407
83 HB3 TYR 14 HB1 TYR 14 14.747 1.061 -2.866
84 HD1 TYR 14 HD1 TYR 14 17.308 3.255 -4.306
85 HD2 TYR 14 HD2 TYR 14 16.387 -0.755 -3.079
86 HE1 TYR 14 HE1 TYR 14 19.717 2.679 -4.391
87 HE2 TYR 14 HE2 TYR 14 18.796 -1.336 -3.165
88 HH TYR 14 HH TYR 14 20.834 -0.583 -4.169
89 H TRP 15 HN TRP 15 13.271 -0.528 -3.952
90 HA TRP 15 HA TRP 15 14.917 -2.721 -4.781
91 HB2 TRP 15 HB2 TRP 15 12.090 -3.164 -3.940
92 HB3 TRP 15 HB1 TRP 15 13.555 -4.017 -3.455
93 HD1 TRP 15 HD1 TRP 15 14.851 -3.148 -1.364
94 HE1 TRP 15 HE1 TRP 15 14.373 -1.317 0.391
95 HE3 TRP 15 HE3 TRP 15 10.953 -0.751 -3.628
96 HZ2 TRP 15 HZ2 TRP 15 12.571 0.871 0.780
97 HZ3 TRP 15 HZ3 TRP 15 9.877 1.201 -2.546
98 HH2 TRP 15 HH2 TRP 15 10.679 2.014 -0.347
99 H GLU 16 HN GLU 16 12.931 -0.783 -6.504
100 HA GLU 16 HA GLU 16 11.628 -1.006 -8.400
101 HB2 GLU 16 HB2 GLU 16 12.765 -2.145 -10.197
102 HB3 GLU 16 HB1 GLU 16 13.981 -1.361 -9.190
103 HG2 GLU 16 HG2 GLU 16 13.185 -4.205 -8.631
104 HG3 GLU 16 HG1 GLU 16 14.338 -3.852 -9.917
105 H GLY 17 HN GLY 17 10.914 -2.762 -6.130
106 HA2 GLY 17 HA2 GLY 17 9.381 -4.751 -7.676
107 HA3 GLY 17 HA1 GLY 17 10.247 -5.248 -6.226
108 H GLU 18 HN GLU 18 9.775 -2.984 -4.625
109 HA GLU 18 HA GLU 18 7.221 -3.604 -3.556
110 HB2 GLU 18 HB2 GLU 18 9.092 -1.281 -3.039
111 HB3 GLU 18 HB1 GLU 18 7.643 -1.618 -2.091
112 HG2 GLU 18 HG2 GLU 18 9.911 -3.586 -2.493
113 HG3 GLU 18 HG1 GLU 18 9.728 -2.561 -1.071
114 H CYS 19 HN CYS 19 8.416 -0.970 -5.588
115 HA CYS 19 HA CYS 19 5.877 0.418 -5.576
116 HB2 CYS 19 HB2 CYS 19 7.082 1.728 -7.464
117 HB3 CYS 19 HB1 CYS 19 7.701 1.869 -5.818
Start of MODEL 8
1 H1 ALA 1 HT1 ALA 1 21.932 0.480 -0.590
2 H2 ALA 1 HT2 ALA 1 21.744 2.113 -0.163
3 H3 ALA 1 HT3 ALA 1 21.208 1.562 -1.678
4 HA ALA 1 HA ALA 1 19.210 1.330 -0.772
5 HB1 ALA 1 HB1 ALA 1 19.086 -0.900 -0.499
6 HB2 ALA 1 HB2 ALA 1 19.607 -0.688 1.172
7 HB3 ALA 1 HB3 ALA 1 20.801 -0.977 -0.093
8 H ALA 2 HN ALA 2 18.539 3.035 0.401
9 HA ALA 2 HA ALA 2 19.719 3.946 2.800
10 HB1 ALA 2 HB1 ALA 2 17.308 4.564 1.219
11 HB2 ALA 2 HB2 ALA 2 18.465 5.652 1.986
12 HB3 ALA 2 HB3 ALA 2 17.177 4.917 2.941
13 H CYS 3 HN CYS 3 17.007 1.779 2.151
14 HA CYS 3 HA CYS 3 16.198 1.551 4.891
15 HB2 CYS 3 HB2 CYS 3 15.632 -0.559 2.839
16 HB3 CYS 3 HB1 CYS 3 14.598 0.039 4.136
17 H HIS 4 HN HIS 4 18.104 1.076 6.019
18 HA HIS 4 HA HIS 4 19.854 -1.055 5.424
19 HB2 HIS 4 HB2 HIS 4 19.205 0.253 8.077
20 HB3 HIS 4 HB1 HIS 4 20.565 -0.833 7.793
21 HD2 HIS 4 HD2 HIS 4 19.477 2.835 6.891
22 HE1 HIS 4 HE1 HIS 4 23.456 2.284 5.588
23 HE2 HIS 4 HE2 HIS 4 21.604 3.992 5.907
24 H ASN 5 HN ASN 5 16.756 -0.938 7.042
25 HA ASN 5 HA ASN 5 17.044 -3.726 7.935
26 HB2 ASN 5 HB2 ASN 5 14.974 -1.598 8.503
27 HB3 ASN 5 HB1 ASN 5 14.819 -3.270 9.042
28 HD21 ASN 5 HD21 ASN 5 15.062 -1.038 10.878
29 HD22 ASN 5 HD22 ASN 5 16.530 -1.219 11.710
30 H HIS 6 HN HIS 6 13.884 -2.575 7.276
31 HA HIS 6 HA HIS 6 13.749 -3.845 4.644
32 HB2 HIS 6 HB2 HIS 6 12.047 -5.407 5.235
33 HB3 HIS 6 HB1 HIS 6 13.336 -5.615 6.421
34 HD2 HIS 6 HD2 HIS 6 9.592 -4.634 6.321
35 HE1 HIS 6 HE1 HIS 6 10.945 -3.929 10.258
36 HE2 HIS 6 HE2 HIS 6 8.891 -4.062 8.771
37 H ALA 7 HN ALA 7 11.519 -3.592 3.697
38 HA ALA 7 HA ALA 7 10.774 -0.978 3.482
39 HB1 ALA 7 HB1 ALA 7 9.009 -3.419 3.236
40 HB2 ALA 7 HB2 ALA 7 9.937 -2.650 1.948
41 HB3 ALA 7 HB3 ALA 7 8.566 -1.808 2.672
42 HA PRO 8 HA PRO 8 8.544 0.032 3.030
43 HB2 PRO 8 HB2 PRO 8 8.269 2.632 3.920
44 HB3 PRO 8 HB1 PRO 8 6.932 1.477 3.770
45 HG2 PRO 8 HG2 PRO 8 8.435 2.333 6.180
46 HG3 PRO 8 HG1 PRO 8 6.725 1.907 6.000
47 HD2 PRO 8 HD2 PRO 8 8.568 0.212 7.107
48 HD3 PRO 8 HD1 PRO 8 7.117 -0.353 6.254
49 H DAL 9 HN DAL 9 9.925 1.124 1.684
50 HA DAL 9 HA DAL 9 12.168 1.440 1.046
51 HB1 DAL 9 HB2 DAL 9 12.948 2.366 3.778
52 HB2 DAL 9 HB3 DAL 9 12.720 0.638 3.502
53 H MET 10 HN MET 10 13.752 3.589 2.106
54 HA MET 10 HA MET 10 12.181 5.972 2.286
55 HB2 MET 10 HB2 MET 10 14.256 6.230 3.289
56 HB3 MET 10 HB1 MET 10 15.098 5.347 2.018
57 HG2 MET 10 HG2 MET 10 15.057 7.178 0.545
58 HG3 MET 10 HG1 MET 10 13.732 7.960 1.406
59 HE1 MET 10 HE1 MET 10 16.892 7.724 0.440
60 HE2 MET 10 HE2 MET 10 18.070 7.967 1.727
61 HE3 MET 10 HE3 MET 10 17.326 9.361 0.948
62 HA PRO 11 HA PRO 11 13.674 6.853 -2.224
63 HB2 PRO 11 HB2 PRO 11 14.824 4.710 -3.526
64 HB3 PRO 11 HB1 PRO 11 15.735 5.981 -2.695
65 HG2 PRO 11 HG2 PRO 11 14.995 3.256 -1.727
66 HG3 PRO 11 HG1 PRO 11 16.516 4.148 -1.537
67 HD2 PRO 11 HD2 PRO 11 14.730 3.972 0.474
68 HD3 PRO 11 HD1 PRO 11 15.685 5.452 0.211
69 HA PRO 12 HA PRO 12 9.731 4.797 -3.086
70 HB2 PRO 12 HB2 PRO 12 9.570 6.978 -5.089
71 HB3 PRO 12 HB1 PRO 12 8.434 6.543 -3.798
72 HG2 PRO 12 HG2 PRO 12 9.961 8.719 -3.628
73 HG3 PRO 12 HG1 PRO 12 9.580 7.735 -2.204
74 HD2 PRO 12 HD2 PRO 12 12.122 7.829 -3.798
75 HD3 PRO 12 HD1 PRO 12 11.899 7.683 -2.037
76 H DAL 13 HN DAL 13 10.574 2.920 -4.073
77 HA DAL 13 HA DAL 13 10.527 3.008 -7.002
78 HB1 DAL 13 HB2 DAL 13 10.863 0.370 -5.856
79 HB2 DAL 13 HB3 DAL 13 9.506 1.219 -5.115
80 H TYR 14 HN TYR 14 12.709 2.305 -4.357
81 HA TYR 14 HA TYR 14 15.027 2.635 -5.932
82 HB2 TYR 14 HB2 TYR 14 14.993 2.926 -3.496
83 HB3 TYR 14 HB1 TYR 14 14.702 1.203 -3.286
84 HD1 TYR 14 HD1 TYR 14 17.123 3.719 -4.530
85 HD2 TYR 14 HD2 TYR 14 16.476 -0.391 -3.475
86 HE1 TYR 14 HE1 TYR 14 19.564 3.308 -4.652
87 HE2 TYR 14 HE2 TYR 14 18.919 -0.809 -3.598
88 HH TYR 14 HH TYR 14 20.893 0.130 -4.609
89 H TRP 15 HN TRP 15 13.399 -0.262 -4.708
90 HA TRP 15 HA TRP 15 15.221 -2.049 -6.081
91 HB2 TRP 15 HB2 TRP 15 12.636 -3.058 -5.017
92 HB3 TRP 15 HB1 TRP 15 14.263 -3.714 -4.835
93 HD1 TRP 15 HD1 TRP 15 15.639 -3.011 -2.739
94 HE1 TRP 15 HE1 TRP 15 15.118 -1.575 -0.659
95 HE3 TRP 15 HE3 TRP 15 11.226 -0.907 -4.204
96 HZ2 TRP 15 HZ2 TRP 15 13.093 0.225 0.258
97 HZ3 TRP 15 HZ3 TRP 15 10.023 0.664 -2.712
98 HH2 TRP 15 HH2 TRP 15 10.949 1.231 -0.484
99 H GLU 16 HN GLU 16 12.786 -0.112 -7.092
100 HA GLU 16 HA GLU 16 11.272 -0.124 -8.829
101 HB2 GLU 16 HB2 GLU 16 12.197 -0.997 -10.940
102 HB3 GLU 16 HB1 GLU 16 13.398 -0.057 -10.052
103 HG2 GLU 16 HG2 GLU 16 14.397 -2.114 -9.176
104 HG3 GLU 16 HG1 GLU 16 13.168 -3.081 -9.991
105 H GLY 17 HN GLY 17 11.223 -2.424 -6.841
106 HA2 GLY 17 HA2 GLY 17 9.684 -4.319 -8.517
107 HA3 GLY 17 HA1 GLY 17 10.607 -4.813 -7.102
108 H GLU 18 HN GLU 18 9.949 -2.903 -5.259
109 HA GLU 18 HA GLU 18 7.412 -3.782 -4.348
110 HB2 GLU 18 HB2 GLU 18 9.192 -1.504 -3.465
111 HB3 GLU 18 HB1 GLU 18 7.716 -1.975 -2.621
112 HG2 GLU 18 HG2 GLU 18 8.601 -4.214 -2.239
113 HG3 GLU 18 HG1 GLU 18 10.042 -3.836 -3.180
114 H CYS 19 HN CYS 19 8.504 -0.849 -5.980
115 HA CYS 19 HA CYS 19 5.925 0.439 -5.796
116 HB2 CYS 19 HB2 CYS 19 7.055 2.022 -7.494
117 HB3 CYS 19 HB1 CYS 19 7.729 1.946 -5.866
Start of MODEL 9
1 H1 ALA 1 HT1 ALA 1 22.403 5.293 0.864
2 H2 ALA 1 HT2 ALA 1 22.113 3.810 1.639
3 H3 ALA 1 HT3 ALA 1 21.056 5.118 1.879
4 HA ALA 1 HA ALA 1 20.351 5.039 -0.411
5 HB1 ALA 1 HB1 ALA 1 21.702 4.096 -1.940
6 HB2 ALA 1 HB2 ALA 1 21.448 2.521 -1.186
7 HB3 ALA 1 HB3 ALA 1 22.781 3.548 -0.657
8 H ALA 2 HN ALA 2 21.230 1.806 0.811
9 HA ALA 2 HA ALA 2 18.580 0.803 0.599
10 HB1 ALA 2 HB1 ALA 2 21.179 -0.172 1.620
11 HB2 ALA 2 HB2 ALA 2 19.993 -0.978 0.593
12 HB3 ALA 2 HB3 ALA 2 19.751 -0.915 2.339
13 H CYS 3 HN CYS 3 17.026 0.437 2.149
14 HA CYS 3 HA CYS 3 16.797 2.316 4.245
15 HB2 CYS 3 HB2 CYS 3 15.285 -0.264 3.758
16 HB3 CYS 3 HB1 CYS 3 14.807 0.987 4.908
17 H HIS 4 HN HIS 4 18.094 -0.916 4.090
18 HA HIS 4 HA HIS 4 19.404 -2.075 5.593
19 HB2 HIS 4 HB2 HIS 4 19.023 0.354 7.365
20 HB3 HIS 4 HB1 HIS 4 20.134 -0.977 7.676
21 HD2 HIS 4 HD2 HIS 4 20.081 2.331 5.731
22 HE1 HIS 4 HE1 HIS 4 23.440 0.186 4.338
23 HE2 HIS 4 HE2 HIS 4 22.276 2.444 4.322
24 H ASN 5 HN ASN 5 16.271 -1.496 5.730
25 HA ASN 5 HA ASN 5 15.821 -3.490 7.807
26 HB2 ASN 5 HB2 ASN 5 14.742 -0.676 7.943
27 HB3 ASN 5 HB1 ASN 5 13.976 -2.021 8.786
28 HD21 ASN 5 HD21 ASN 5 16.539 -3.400 9.376
29 HD22 ASN 5 HD22 ASN 5 17.304 -2.476 10.576
30 H HIS 6 HN HIS 6 13.352 -3.953 7.903
31 HA HIS 6 HA HIS 6 12.526 -4.679 5.277
32 HB2 HIS 6 HB2 HIS 6 10.572 -5.601 6.336
33 HB3 HIS 6 HB1 HIS 6 11.950 -5.918 7.391
34 HD2 HIS 6 HD2 HIS 6 12.081 -4.127 9.699
35 HE1 HIS 6 HE1 HIS 6 8.041 -2.943 9.378
36 HE2 HIS 6 HE2 HIS 6 10.090 -2.918 10.879
37 H ALA 7 HN ALA 7 11.067 -3.765 3.912
38 HA ALA 7 HA ALA 7 10.668 -1.108 3.674
39 HB1 ALA 7 HB1 ALA 7 9.681 -2.000 1.856
40 HB2 ALA 7 HB2 ALA 7 8.213 -2.058 2.831
41 HB3 ALA 7 HB3 ALA 7 9.252 -3.479 2.716
42 HA PRO 8 HA PRO 8 8.402 -0.121 2.694
43 HB2 PRO 8 HB2 PRO 8 8.026 2.541 3.281
44 HB3 PRO 8 HB1 PRO 8 6.707 1.364 3.128
45 HG2 PRO 8 HG2 PRO 8 8.019 2.428 5.581
46 HG3 PRO 8 HG1 PRO 8 6.307 2.090 5.271
47 HD2 PRO 8 HD2 PRO 8 7.869 0.399 6.715
48 HD3 PRO 8 HD1 PRO 8 6.537 -0.183 5.691
49 H DAL 9 HN DAL 9 9.989 0.790 1.453
50 HA DAL 9 HA DAL 9 12.303 1.044 1.104
51 HB1 DAL 9 HB2 DAL 9 12.523 2.155 3.904
52 HB2 DAL 9 HB3 DAL 9 12.693 0.437 3.537
53 H MET 10 HN MET 10 13.266 3.551 2.831
54 HA MET 10 HA MET 10 11.763 5.776 2.186
55 HB2 MET 10 HB2 MET 10 13.541 6.340 3.525
56 HB3 MET 10 HB1 MET 10 14.665 5.289 2.667
57 HG2 MET 10 HG2 MET 10 13.525 7.652 1.218
58 HG3 MET 10 HG1 MET 10 14.811 7.921 2.394
59 HE1 MET 10 HE1 MET 10 15.772 9.008 0.234
60 HE2 MET 10 HE2 MET 10 14.780 8.279 -1.027
61 HE3 MET 10 HE3 MET 10 16.533 8.124 -1.096
62 HA PRO 11 HA PRO 11 14.294 5.899 -2.043
63 HB2 PRO 11 HB2 PRO 11 14.438 2.958 -2.459
64 HB3 PRO 11 HB1 PRO 11 15.644 4.208 -2.816
65 HG2 PRO 11 HG2 PRO 11 15.916 2.529 -0.759
66 HG3 PRO 11 HG1 PRO 11 16.472 4.210 -0.682
67 HD2 PRO 11 HD2 PRO 11 14.072 2.961 0.585
68 HD3 PRO 11 HD1 PRO 11 15.087 4.301 1.160
69 HA PRO 12 HA PRO 12 9.966 5.211 -3.258
70 HB2 PRO 12 HB2 PRO 12 10.056 7.102 -5.276
71 HB3 PRO 12 HB1 PRO 12 9.669 7.450 -3.581
72 HG2 PRO 12 HG2 PRO 12 12.217 7.830 -5.056
73 HG3 PRO 12 HG1 PRO 12 11.484 8.825 -3.786
74 HD2 PRO 12 HD2 PRO 12 13.567 7.132 -3.301
75 HD3 PRO 12 HD1 PRO 12 12.335 7.513 -2.076
76 H DAL 13 HN DAL 13 10.388 3.112 -4.103
77 HA DAL 13 HA DAL 13 10.146 2.912 -6.925
78 HB1 DAL 13 HB2 DAL 13 10.967 0.432 -5.702
79 HB2 DAL 13 HB3 DAL 13 9.746 1.233 -4.712
80 H TYR 14 HN TYR 14 12.873 2.876 -4.774
81 HA TYR 14 HA TYR 14 14.749 3.125 -6.869
82 HB2 TYR 14 HB2 TYR 14 15.242 3.903 -4.606
83 HB3 TYR 14 HB1 TYR 14 15.155 2.249 -4.001
84 HD1 TYR 14 HD1 TYR 14 17.007 4.488 -6.323
85 HD2 TYR 14 HD2 TYR 14 17.011 0.780 -4.161
86 HE1 TYR 14 HE1 TYR 14 19.396 4.154 -6.904
87 HE2 TYR 14 HE2 TYR 14 19.400 0.441 -4.742
88 HH TYR 14 HH TYR 14 21.374 2.845 -5.858
89 H TRP 15 HN TRP 15 13.798 0.344 -4.887
90 HA TRP 15 HA TRP 15 15.581 -1.482 -6.186
91 HB2 TRP 15 HB2 TRP 15 13.061 -2.422 -4.880
92 HB3 TRP 15 HB1 TRP 15 14.689 -3.092 -4.788
93 HD1 TRP 15 HD1 TRP 15 16.274 -2.221 -2.917
94 HE1 TRP 15 HE1 TRP 15 15.956 -0.619 -0.922
95 HE3 TRP 15 HE3 TRP 15 11.738 -0.210 -4.116
96 HZ2 TRP 15 HZ2 TRP 15 14.029 1.265 0.036
97 HZ3 TRP 15 HZ3 TRP 15 10.686 1.485 -2.648
98 HH2 TRP 15 HH2 TRP 15 11.825 2.224 -0.574
99 H GLU 16 HN GLU 16 12.879 0.143 -7.198
100 HA GLU 16 HA GLU 16 11.288 -0.187 -8.836
101 HB2 GLU 16 HB2 GLU 16 13.276 0.217 -10.161
102 HB3 GLU 16 HB1 GLU 16 13.738 -1.477 -10.051
103 HG2 GLU 16 HG2 GLU 16 11.688 -2.122 -11.263
104 HG3 GLU 16 HG1 GLU 16 11.204 -0.429 -11.349
105 H GLY 17 HN GLY 17 10.266 -1.717 -7.236
106 HA2 GLY 17 HA2 GLY 17 9.196 -3.942 -8.535
107 HA3 GLY 17 HA1 GLY 17 10.503 -4.526 -7.508
108 H GLU 18 HN GLU 18 10.320 -2.877 -5.320
109 HA GLU 18 HA GLU 18 8.165 -4.031 -3.872
110 HB2 GLU 18 HB2 GLU 18 10.008 -1.727 -3.190
111 HB3 GLU 18 HB1 GLU 18 8.890 -2.483 -2.053
112 HG2 GLU 18 HG2 GLU 18 11.083 -3.948 -3.547
113 HG3 GLU 18 HG1 GLU 18 11.197 -3.407 -1.874
114 H CYS 19 HN CYS 19 8.720 -0.828 -5.262
115 HA CYS 19 HA CYS 19 6.462 0.476 -4.222
116 HB2 CYS 19 HB2 CYS 19 6.750 1.715 -6.602
117 HB3 CYS 19 HB1 CYS 19 7.806 2.027 -5.223
Start of MODEL 10
1 H1 ALA 1 HT1 ALA 1 22.682 0.705 -0.778
2 H2 ALA 1 HT2 ALA 1 23.150 2.275 -1.230
3 H3 ALA 1 HT3 ALA 1 21.508 1.842 -1.229
4 HA ALA 1 HA ALA 1 22.777 1.428 1.311
5 HB1 ALA 1 HB1 ALA 1 23.126 3.969 -0.133
6 HB2 ALA 1 HB2 ALA 1 23.967 3.361 1.292
7 HB3 ALA 1 HB3 ALA 1 22.399 4.146 1.464
8 H ALA 2 HN ALA 2 20.497 0.387 0.484
9 HA ALA 2 HA ALA 2 18.177 1.993 0.626
10 HB1 ALA 2 HB1 ALA 2 18.179 -0.862 1.544
11 HB2 ALA 2 HB2 ALA 2 18.502 -0.490 -0.150
12 HB3 ALA 2 HB3 ALA 2 16.976 0.001 0.586
13 H CYS 3 HN CYS 3 16.738 2.384 2.315
14 HA CYS 3 HA CYS 3 17.358 3.353 4.653
15 HB2 CYS 3 HB2 CYS 3 15.206 1.242 4.402
16 HB3 CYS 3 HB1 CYS 3 15.317 2.451 5.682
17 H HIS 4 HN HIS 4 16.044 0.368 5.643
18 HA HIS 4 HA HIS 4 18.628 -0.472 6.790
19 HB2 HIS 4 HB2 HIS 4 17.082 0.685 8.435
20 HB3 HIS 4 HB1 HIS 4 15.976 -0.673 8.220
21 HD2 HIS 4 HD2 HIS 4 19.653 -1.784 8.171
22 HE1 HIS 4 HE1 HIS 4 18.233 -2.519 12.081
23 HE2 HIS 4 HE2 HIS 4 20.153 -2.933 10.470
24 H ASN 5 HN ASN 5 15.405 -1.391 5.677
25 HA ASN 5 HA ASN 5 16.442 -4.098 5.145
26 HB2 ASN 5 HB2 ASN 5 13.758 -3.498 6.414
27 HB3 ASN 5 HB1 ASN 5 14.342 -5.091 5.935
28 HD21 ASN 5 HD21 ASN 5 16.614 -5.643 6.980
29 HD22 ASN 5 HD22 ASN 5 16.794 -5.206 8.610
30 H HIS 6 HN HIS 6 13.760 -4.960 4.315
31 HA HIS 6 HA HIS 6 13.886 -4.199 1.584
32 HB2 HIS 6 HB2 HIS 6 11.810 -5.673 3.206
33 HB3 HIS 6 HB1 HIS 6 11.631 -5.380 1.475
34 HD2 HIS 6 HD2 HIS 6 13.211 -7.023 -0.166
35 HE1 HIS 6 HE1 HIS 6 15.249 -9.032 2.938
36 HE2 HIS 6 HE2 HIS 6 14.846 -8.969 0.431
37 H ALA 7 HN ALA 7 11.884 -3.155 4.298
38 HA ALA 7 HA ALA 7 11.417 -0.584 3.392
39 HB1 ALA 7 HB1 ALA 7 9.829 -2.553 1.968
40 HB2 ALA 7 HB2 ALA 7 9.993 -0.821 1.674
41 HB3 ALA 7 HB3 ALA 7 8.803 -1.409 2.835
42 HA PRO 8 HA PRO 8 9.081 0.429 3.183
43 HB2 PRO 8 HB2 PRO 8 8.271 2.654 4.530
44 HB3 PRO 8 HB1 PRO 8 7.201 1.291 4.160
45 HG2 PRO 8 HG2 PRO 8 8.472 2.056 6.710
46 HG3 PRO 8 HG1 PRO 8 6.944 1.216 6.409
47 HD2 PRO 8 HD2 PRO 8 9.335 -0.006 7.214
48 HD3 PRO 8 HD1 PRO 8 7.932 -0.837 6.515
49 H DAL 9 HN DAL 9 10.440 1.747 2.149
50 HA DAL 9 HA DAL 9 12.735 2.444 1.933
51 HB1 DAL 9 HB2 DAL 9 12.557 3.619 4.696
52 HB2 DAL 9 HB3 DAL 9 13.015 1.933 4.450
53 H MET 10 HN MET 10 13.660 4.855 2.314
54 HA MET 10 HA MET 10 11.627 6.895 2.327
55 HB2 MET 10 HB2 MET 10 13.665 7.616 3.236
56 HB3 MET 10 HB1 MET 10 14.611 6.868 1.952
57 HG2 MET 10 HG2 MET 10 12.637 8.963 1.161
58 HG3 MET 10 HG1 MET 10 14.108 9.498 1.973
59 HE1 MET 10 HE1 MET 10 16.456 9.823 0.562
60 HE2 MET 10 HE2 MET 10 16.969 8.267 -0.086
61 HE3 MET 10 HE3 MET 10 16.279 8.355 1.532
62 HA PRO 11 HA PRO 11 12.861 7.184 -2.328
63 HB2 PRO 11 HB2 PRO 11 14.266 5.080 -3.366
64 HB3 PRO 11 HB1 PRO 11 15.030 6.527 -2.690
65 HG2 PRO 11 HG2 PRO 11 14.625 3.853 -1.437
66 HG3 PRO 11 HG1 PRO 11 16.024 4.937 -1.359
67 HD2 PRO 11 HD2 PRO 11 14.214 4.736 0.663
68 HD3 PRO 11 HD1 PRO 11 15.091 6.240 0.308
69 HA PRO 12 HA PRO 12 9.333 4.400 -2.800
70 HB2 PRO 12 HB2 PRO 12 8.057 5.926 -4.675
71 HB3 PRO 12 HB1 PRO 12 7.993 6.258 -2.934
72 HG2 PRO 12 HG2 PRO 12 9.607 7.568 -5.054
73 HG3 PRO 12 HG1 PRO 12 8.838 8.268 -3.619
74 HD2 PRO 12 HD2 PRO 12 11.533 7.696 -3.792
75 HD3 PRO 12 HD1 PRO 12 10.633 7.785 -2.262
76 H DAL 13 HN DAL 13 10.571 2.715 -3.798
77 HA DAL 13 HA DAL 13 10.465 2.780 -6.758
78 HB1 DAL 13 HB2 DAL 13 10.672 0.149 -5.468
79 HB2 DAL 13 HB3 DAL 13 9.196 1.027 -5.070
80 H TYR 14 HN TYR 14 12.485 2.505 -4.023
81 HA TYR 14 HA TYR 14 14.875 2.561 -5.515
82 HB2 TYR 14 HB2 TYR 14 14.650 3.341 -3.175
83 HB3 TYR 14 HB1 TYR 14 14.477 1.672 -2.650
84 HD1 TYR 14 HD1 TYR 14 16.778 4.233 -3.877
85 HD2 TYR 14 HD2 TYR 14 16.364 0.086 -2.849
86 HE1 TYR 14 HE1 TYR 14 19.244 4.002 -3.828
87 HE2 TYR 14 HE2 TYR 14 18.831 -0.150 -2.801
88 HH TYR 14 HH TYR 14 20.924 2.467 -2.710
89 H TRP 15 HN TRP 15 13.217 -0.063 -3.826
90 HA TRP 15 HA TRP 15 15.161 -2.054 -4.564
91 HB2 TRP 15 HB2 TRP 15 12.423 -2.876 -3.754
92 HB3 TRP 15 HB1 TRP 15 13.987 -3.456 -3.186
93 HD1 TRP 15 HD1 TRP 15 15.006 -2.346 -1.066
94 HE1 TRP 15 HE1 TRP 15 14.180 -0.531 0.576
95 HE3 TRP 15 HE3 TRP 15 10.947 -0.613 -3.632
96 HZ2 TRP 15 HZ2 TRP 15 12.073 1.392 0.768
97 HZ3 TRP 15 HZ3 TRP 15 9.554 1.210 -2.701
98 HH2 TRP 15 HH2 TRP 15 10.109 2.214 -0.504
99 H GLU 16 HN GLU 16 12.940 -0.399 -6.312
100 HA GLU 16 HA GLU 16 11.689 -0.805 -8.210
101 HB2 GLU 16 HB2 GLU 16 12.965 -1.894 -9.981
102 HB3 GLU 16 HB1 GLU 16 14.021 -0.835 -9.045
103 HG2 GLU 16 HG2 GLU 16 14.811 -2.774 -7.740
104 HG3 GLU 16 HG1 GLU 16 13.758 -3.834 -8.675
105 H GLY 17 HN GLY 17 11.368 -2.714 -5.885
106 HA2 GLY 17 HA2 GLY 17 10.230 -4.986 -7.408
107 HA3 GLY 17 HA1 GLY 17 10.877 -5.136 -5.776
108 H GLU 18 HN GLU 18 9.810 -2.979 -4.493
109 HA GLU 18 HA GLU 18 7.164 -3.839 -3.933
110 HB2 GLU 18 HB2 GLU 18 8.654 -1.322 -3.160
111 HB3 GLU 18 HB1 GLU 18 7.076 -1.775 -2.517
112 HG2 GLU 18 HG2 GLU 18 9.568 -3.490 -2.329
113 HG3 GLU 18 HG1 GLU 18 8.948 -2.476 -1.027
114 H CYS 19 HN CYS 19 8.492 -1.174 -5.831
115 HA CYS 19 HA CYS 19 5.840 -0.132 -6.435
116 HB2 CYS 19 HB2 CYS 19 7.170 1.478 -7.868
117 HB3 CYS 19 HB1 CYS 19 7.546 1.519 -6.146
Start of MODEL 11
1 H1 ALA 1 HT1 ALA 1 19.016 -1.864 -1.352
2 H2 ALA 1 HT2 ALA 1 19.278 -0.207 -1.076
3 H3 ALA 1 HT3 ALA 1 17.928 -0.720 -1.974
4 HA ALA 1 HA ALA 1 16.796 -0.553 -0.078
5 HB1 ALA 1 HB1 ALA 1 18.476 -3.025 0.405
6 HB2 ALA 1 HB2 ALA 1 16.841 -2.946 -0.252
7 HB3 ALA 1 HB3 ALA 1 17.129 -2.563 1.445
8 H ALA 2 HN ALA 2 18.038 1.468 0.420
9 HA ALA 2 HA ALA 2 20.213 1.499 2.224
10 HB1 ALA 2 HB1 ALA 2 18.393 3.435 1.031
11 HB2 ALA 2 HB2 ALA 2 20.083 3.623 1.499
12 HB3 ALA 2 HB3 ALA 2 18.806 3.846 2.697
13 H CYS 3 HN CYS 3 16.716 1.525 2.698
14 HA CYS 3 HA CYS 3 16.327 2.219 5.264
15 HB2 CYS 3 HB2 CYS 3 15.202 -0.455 4.634
16 HB3 CYS 3 HB1 CYS 3 14.396 0.997 5.225
17 H HIS 4 HN HIS 4 17.511 1.886 7.011
18 HA HIS 4 HA HIS 4 19.455 -0.070 7.372
19 HB2 HIS 4 HB2 HIS 4 18.824 0.415 9.927
20 HB3 HIS 4 HB1 HIS 4 19.693 1.589 8.938
21 HD2 HIS 4 HD2 HIS 4 18.108 3.823 8.076
22 HE1 HIS 4 HE1 HIS 4 14.773 2.891 10.490
23 HE2 HIS 4 HE2 HIS 4 15.817 4.665 9.004
24 H ASN 5 HN ASN 5 16.027 -0.099 8.268
25 HA ASN 5 HA ASN 5 16.279 -2.813 9.338
26 HB2 ASN 5 HB2 ASN 5 14.896 -1.092 10.511
27 HB3 ASN 5 HB1 ASN 5 13.816 -1.070 9.118
28 HD21 ASN 5 HD21 ASN 5 12.059 -1.924 10.509
29 HD22 ASN 5 HD22 ASN 5 12.042 -3.564 10.949
30 H HIS 6 HN HIS 6 16.177 -1.644 6.354
31 HA HIS 6 HA HIS 6 15.672 -2.589 4.320
32 HB2 HIS 6 HB2 HIS 6 14.731 -4.902 6.032
33 HB3 HIS 6 HB1 HIS 6 14.875 -4.941 4.274
34 HD2 HIS 6 HD2 HIS 6 17.088 -5.555 7.331
35 HE1 HIS 6 HE1 HIS 6 19.725 -5.009 4.080
36 HE2 HIS 6 HE2 HIS 6 19.554 -5.765 6.498
37 H ALA 7 HN ALA 7 13.621 -3.738 3.198
38 HA ALA 7 HA ALA 7 11.630 -2.062 2.789
39 HB1 ALA 7 HB1 ALA 7 10.909 -3.858 1.656
40 HB2 ALA 7 HB2 ALA 7 10.186 -4.446 3.155
41 HB3 ALA 7 HB3 ALA 7 11.819 -4.942 2.709
42 HA PRO 8 HA PRO 8 9.648 -1.301 2.616
43 HB2 PRO 8 HB2 PRO 8 8.900 1.185 3.528
44 HB3 PRO 8 HB1 PRO 8 7.804 -0.204 3.419
45 HG2 PRO 8 HG2 PRO 8 9.199 0.926 5.784
46 HG3 PRO 8 HG1 PRO 8 7.582 0.212 5.655
47 HD2 PRO 8 HD2 PRO 8 9.737 -1.128 6.699
48 HD3 PRO 8 HD1 PRO 8 8.368 -1.943 5.914
49 H DAL 9 HN DAL 9 10.139 1.348 2.070
50 HA DAL 9 HA DAL 9 12.639 1.620 1.243
51 HB1 DAL 9 HB2 DAL 9 13.502 3.054 3.430
52 HB2 DAL 9 HB3 DAL 9 12.707 1.670 4.177
53 H MET 10 HN MET 10 13.566 4.068 1.689
54 HA MET 10 HA MET 10 11.294 5.926 1.695
55 HB2 MET 10 HB2 MET 10 13.084 6.645 3.105
56 HB3 MET 10 HB1 MET 10 14.283 6.350 1.847
57 HG2 MET 10 HG2 MET 10 12.500 8.065 0.605
58 HG3 MET 10 HG1 MET 10 12.550 8.678 2.258
59 HE1 MET 10 HE1 MET 10 15.545 6.824 0.216
60 HE2 MET 10 HE2 MET 10 15.941 8.236 -0.761
61 HE3 MET 10 HE3 MET 10 14.310 7.573 -0.806
62 HA PRO 11 HA PRO 11 13.689 6.614 -2.565
63 HB2 PRO 11 HB2 PRO 11 14.331 3.749 -3.037
64 HB3 PRO 11 HB1 PRO 11 15.289 5.194 -3.405
65 HG2 PRO 11 HG2 PRO 11 15.920 3.574 -1.386
66 HG3 PRO 11 HG1 PRO 11 16.150 5.328 -1.285
67 HD2 PRO 11 HD2 PRO 11 14.041 3.628 -0.014
68 HD3 PRO 11 HD1 PRO 11 14.820 5.106 0.593
69 HA PRO 12 HA PRO 12 9.512 5.281 -3.715
70 HB2 PRO 12 HB2 PRO 12 9.848 7.380 -5.762
71 HB3 PRO 12 HB1 PRO 12 8.615 7.222 -4.498
72 HG2 PRO 12 HG2 PRO 12 10.555 9.072 -4.391
73 HG3 PRO 12 HG1 PRO 12 9.880 8.311 -2.940
74 HD2 PRO 12 HD2 PRO 12 12.495 7.774 -4.306
75 HD3 PRO 12 HD1 PRO 12 12.107 7.777 -2.569
76 H DAL 13 HN DAL 13 10.187 3.257 -4.590
77 HA DAL 13 HA DAL 13 9.993 3.138 -7.457
78 HB1 DAL 13 HB2 DAL 13 10.741 0.645 -6.165
79 HB2 DAL 13 HB3 DAL 13 9.385 1.429 -5.356
80 H TYR 14 HN TYR 14 12.608 3.211 -5.216
81 HA TYR 14 HA TYR 14 14.582 3.413 -7.199
82 HB2 TYR 14 HB2 TYR 14 14.965 4.191 -4.925
83 HB3 TYR 14 HB1 TYR 14 14.824 2.544 -4.312
84 HD1 TYR 14 HD1 TYR 14 16.825 4.690 -6.622
85 HD2 TYR 14 HD2 TYR 14 16.681 1.105 -4.262
86 HE1 TYR 14 HE1 TYR 14 19.240 4.312 -7.048
87 HE2 TYR 14 HE2 TYR 14 19.092 0.725 -4.687
88 HH TYR 14 HH TYR 14 20.787 2.181 -7.080
89 H TRP 15 HN TRP 15 13.591 0.647 -5.211
90 HA TRP 15 HA TRP 15 15.429 -1.210 -6.308
91 HB2 TRP 15 HB2 TRP 15 12.736 -2.050 -5.291
92 HB3 TRP 15 HB1 TRP 15 14.307 -2.817 -5.059
93 HD1 TRP 15 HD1 TRP 15 15.800 -1.997 -3.077
94 HE1 TRP 15 HE1 TRP 15 15.390 -0.395 -1.098
95 HE3 TRP 15 HE3 TRP 15 11.436 0.170 -4.591
96 HZ2 TRP 15 HZ2 TRP 15 13.461 1.552 -0.274
97 HZ3 TRP 15 HZ3 TRP 15 10.334 1.894 -3.195
98 HH2 TRP 15 HH2 TRP 15 11.340 2.588 -1.038
99 H GLU 16 HN GLU 16 12.215 -0.130 -7.239
100 HA GLU 16 HA GLU 16 11.235 -0.250 -9.344
101 HB2 GLU 16 HB2 GLU 16 12.477 -0.896 -11.128
102 HB3 GLU 16 HB1 GLU 16 13.799 -0.944 -9.963
103 HG2 GLU 16 HG2 GLU 16 13.031 -3.384 -9.514
104 HG3 GLU 16 HG1 GLU 16 12.153 -3.232 -11.033
105 H GLY 17 HN GLY 17 11.066 -2.117 -6.888
106 HA2 GLY 17 HA2 GLY 17 9.277 -4.080 -8.179
107 HA3 GLY 17 HA1 GLY 17 10.435 -4.607 -6.963
108 H GLU 18 HN GLU 18 10.212 -2.352 -5.226
109 HA GLU 18 HA GLU 18 7.991 -3.146 -3.652
110 HB2 GLU 18 HB2 GLU 18 9.779 -0.709 -3.514
111 HB3 GLU 18 HB1 GLU 18 8.566 -1.106 -2.297
112 HG2 GLU 18 HG2 GLU 18 9.663 -3.242 -1.849
113 HG3 GLU 18 HG1 GLU 18 10.835 -2.935 -3.130
114 H CYS 19 HN CYS 19 8.557 -0.375 -5.785
115 HA CYS 19 HA CYS 19 6.129 0.976 -5.230
116 HB2 CYS 19 HB2 CYS 19 6.649 1.803 -7.729
117 HB3 CYS 19 HB1 CYS 19 7.547 2.396 -6.332
Start of MODEL 12
1 H1 ALA 1 HT1 ALA 1 21.745 0.289 1.785
2 H2 ALA 1 HT2 ALA 1 20.631 -0.695 2.609
3 H3 ALA 1 HT3 ALA 1 22.256 -1.177 2.472
4 HA ALA 1 HA ALA 1 21.751 -0.320 4.692
5 HB1 ALA 1 HB1 ALA 1 23.660 1.194 4.812
6 HB2 ALA 1 HB2 ALA 1 23.574 1.485 3.074
7 HB3 ALA 1 HB3 ALA 1 24.026 -0.108 3.678
8 H ALA 2 HN ALA 2 20.908 1.731 1.999
9 HA ALA 2 HA ALA 2 20.308 4.119 3.344
10 HB1 ALA 2 HB1 ALA 2 18.882 2.947 0.942
11 HB2 ALA 2 HB2 ALA 2 20.380 3.876 0.873
12 HB3 ALA 2 HB3 ALA 2 18.892 4.642 1.428
13 H CYS 3 HN CYS 3 18.224 1.331 2.593
14 HA CYS 3 HA CYS 3 15.989 2.422 4.049
15 HB2 CYS 3 HB2 CYS 3 16.555 -0.155 2.621
16 HB3 CYS 3 HB1 CYS 3 15.166 -0.040 3.702
17 H HIS 4 HN HIS 4 18.706 0.373 4.731
18 HA HIS 4 HA HIS 4 19.525 -0.439 6.718
19 HB2 HIS 4 HB2 HIS 4 17.192 1.085 7.900
20 HB3 HIS 4 HB1 HIS 4 18.451 0.290 8.844
21 HD2 HIS 4 HD2 HIS 4 17.873 3.648 7.086
22 HE1 HIS 4 HE1 HIS 4 22.019 3.416 7.843
23 HE2 HIS 4 HE2 HIS 4 20.134 4.954 7.118
24 H ASN 5 HN ASN 5 16.047 -0.456 7.464
25 HA ASN 5 HA ASN 5 16.216 -3.349 7.918
26 HB2 ASN 5 HB2 ASN 5 14.155 -1.262 8.636
27 HB3 ASN 5 HB1 ASN 5 13.893 -2.990 8.875
28 HD21 ASN 5 HD21 ASN 5 14.042 -1.107 11.075
29 HD22 ASN 5 HD22 ASN 5 15.425 -1.490 11.982
30 H HIS 6 HN HIS 6 15.873 -1.653 5.276
31 HA HIS 6 HA HIS 6 14.979 -2.120 3.207
32 HB2 HIS 6 HB2 HIS 6 13.856 -4.554 4.612
33 HB3 HIS 6 HB1 HIS 6 13.844 -4.287 2.868
34 HD2 HIS 6 HD2 HIS 6 16.240 -5.609 5.587
35 HE1 HIS 6 HE1 HIS 6 18.537 -5.133 2.076
36 HE2 HIS 6 HE2 HIS 6 18.529 -6.092 4.428
37 H ALA 7 HN ALA 7 12.526 -3.045 2.418
38 HA ALA 7 HA ALA 7 10.817 -0.959 2.569
39 HB1 ALA 7 HB1 ALA 7 9.476 -3.590 2.788
40 HB2 ALA 7 HB2 ALA 7 10.640 -3.412 1.475
41 HB3 ALA 7 HB3 ALA 7 9.269 -2.311 1.591
42 HA PRO 8 HA PRO 8 8.918 0.087 2.894
43 HB2 PRO 8 HB2 PRO 8 9.109 2.207 4.943
44 HB3 PRO 8 HB1 PRO 8 7.742 1.765 3.905
45 HG2 PRO 8 HG2 PRO 8 7.778 1.258 6.539
46 HG3 PRO 8 HG1 PRO 8 6.957 0.207 5.374
47 HD2 PRO 8 HD2 PRO 8 9.579 -0.209 6.765
48 HD3 PRO 8 HD1 PRO 8 8.339 -1.396 6.308
49 H DAL 9 HN DAL 9 10.279 1.045 1.554
50 HA DAL 9 HA DAL 9 12.474 1.427 0.772
51 HB1 DAL 9 HB2 DAL 9 13.460 2.397 3.404
52 HB2 DAL 9 HB3 DAL 9 13.157 0.666 3.248
53 H MET 10 HN MET 10 14.058 3.603 1.505
54 HA MET 10 HA MET 10 12.496 5.951 1.984
55 HB2 MET 10 HB2 MET 10 15.284 5.282 1.592
56 HB3 MET 10 HB1 MET 10 14.848 6.711 0.654
57 HG2 MET 10 HG2 MET 10 13.577 7.259 2.993
58 HG3 MET 10 HG1 MET 10 14.963 6.344 3.589
59 HE1 MET 10 HE1 MET 10 16.673 7.577 0.513
60 HE2 MET 10 HE2 MET 10 17.045 6.543 1.890
61 HE3 MET 10 HE3 MET 10 17.878 8.084 1.706
62 HA PRO 11 HA PRO 11 12.986 6.867 -2.709
63 HB2 PRO 11 HB2 PRO 11 14.123 4.885 -4.246
64 HB3 PRO 11 HB1 PRO 11 15.029 6.230 -3.532
65 HG2 PRO 11 HG2 PRO 11 14.755 3.422 -2.568
66 HG3 PRO 11 HG1 PRO 11 16.178 4.478 -2.585
67 HD2 PRO 11 HD2 PRO 11 14.739 4.037 -0.330
68 HD3 PRO 11 HD1 PRO 11 15.538 5.593 -0.652
69 HA PRO 12 HA PRO 12 9.223 4.362 -2.937
70 HB2 PRO 12 HB2 PRO 12 8.414 6.505 -4.806
71 HB3 PRO 12 HB1 PRO 12 7.632 5.952 -3.315
72 HG2 PRO 12 HG2 PRO 12 8.913 8.298 -3.459
73 HG3 PRO 12 HG1 PRO 12 8.901 7.316 -1.984
74 HD2 PRO 12 HD2 PRO 12 11.094 7.651 -4.003
75 HD3 PRO 12 HD1 PRO 12 11.200 7.496 -2.234
76 H DAL 13 HN DAL 13 10.179 2.634 -4.129
77 HA DAL 13 HA DAL 13 9.546 2.733 -6.992
78 HB1 DAL 13 HB2 DAL 13 10.407 0.147 -6.042
79 HB2 DAL 13 HB3 DAL 13 9.158 0.809 -4.987
80 H TYR 14 HN TYR 14 12.246 2.254 -4.812
81 HA TYR 14 HA TYR 14 14.177 2.931 -6.752
82 HB2 TYR 14 HB2 TYR 14 14.550 3.129 -4.332
83 HB3 TYR 14 HB1 TYR 14 14.525 1.376 -4.180
84 HD1 TYR 14 HD1 TYR 14 16.389 4.283 -5.431
85 HD2 TYR 14 HD2 TYR 14 16.361 0.011 -5.027
86 HE1 TYR 14 HE1 TYR 14 18.800 4.217 -6.012
87 HE2 TYR 14 HE2 TYR 14 18.773 -0.062 -5.610
88 HH TYR 14 HH TYR 14 20.731 2.713 -5.665
89 H TRP 15 HN TRP 15 13.178 -0.197 -5.417
90 HA TRP 15 HA TRP 15 14.894 -1.678 -7.229
91 HB2 TRP 15 HB2 TRP 15 12.749 -3.072 -5.723
92 HB3 TRP 15 HB1 TRP 15 14.453 -3.487 -5.900
93 HD1 TRP 15 HD1 TRP 15 16.112 -2.650 -4.078
94 HE1 TRP 15 HE1 TRP 15 15.828 -1.358 -1.862
95 HE3 TRP 15 HE3 TRP 15 11.250 -1.167 -4.538
96 HZ2 TRP 15 HZ2 TRP 15 13.802 0.109 -0.472
97 HZ3 TRP 15 HZ3 TRP 15 10.169 0.175 -2.758
98 HH2 TRP 15 HH2 TRP 15 11.438 0.814 -0.726
99 H GLU 16 HN GLU 16 12.123 -0.036 -7.662
100 HA GLU 16 HA GLU 16 10.277 -0.209 -9.033
101 HB2 GLU 16 HB2 GLU 16 10.810 -0.742 -11.312
102 HB3 GLU 16 HB1 GLU 16 12.216 0.063 -10.615
103 HG2 GLU 16 HG2 GLU 16 13.316 -2.079 -10.250
104 HG3 GLU 16 HG1 GLU 16 11.887 -2.944 -10.814
105 H GLY 17 HN GLY 17 10.793 -2.471 -7.144
106 HA2 GLY 17 HA2 GLY 17 9.196 -4.524 -8.562
107 HA3 GLY 17 HA1 GLY 17 10.454 -4.939 -7.402
108 H GLU 18 HN GLU 18 10.001 -3.151 -5.370
109 HA GLU 18 HA GLU 18 7.832 -4.348 -3.988
110 HB2 GLU 18 HB2 GLU 18 9.484 -1.889 -3.379
111 HB3 GLU 18 HB1 GLU 18 8.292 -2.569 -2.271
112 HG2 GLU 18 HG2 GLU 18 9.503 -4.695 -2.226
113 HG3 GLU 18 HG1 GLU 18 10.667 -4.079 -3.398
114 H CYS 19 HN CYS 19 8.232 -1.215 -5.593
115 HA CYS 19 HA CYS 19 5.667 -0.210 -4.812
116 HB2 CYS 19 HB2 CYS 19 6.170 1.398 -6.795
117 HB3 CYS 19 HB1 CYS 19 7.195 1.471 -5.361
Start of MODEL 13
1 H1 ALA 1 HT1 ALA 1 22.190 -0.866 4.998
2 H2 ALA 1 HT2 ALA 1 20.975 -1.668 5.876
3 H3 ALA 1 HT3 ALA 1 20.856 0.002 5.584
4 HA ALA 1 HA ALA 1 21.025 -1.840 3.304
5 HB1 ALA 1 HB1 ALA 1 18.937 -1.836 5.316
6 HB2 ALA 1 HB2 ALA 1 19.113 -2.874 3.900
7 HB3 ALA 1 HB3 ALA 1 18.300 -1.317 3.755
8 H ALA 2 HN ALA 2 18.826 -0.747 2.013
9 HA ALA 2 HA ALA 2 19.885 1.677 1.004
10 HB1 ALA 2 HB1 ALA 2 17.149 0.421 0.701
11 HB2 ALA 2 HB2 ALA 2 18.511 0.280 -0.409
12 HB3 ALA 2 HB3 ALA 2 17.697 1.831 -0.206
13 H CYS 3 HN CYS 3 17.299 0.959 3.300
14 HA CYS 3 HA CYS 3 17.136 3.850 3.915
15 HB2 CYS 3 HB2 CYS 3 14.840 2.406 4.863
16 HB3 CYS 3 HB1 CYS 3 14.908 3.737 3.708
17 H HIS 4 HN HIS 4 18.842 1.592 4.998
18 HA HIS 4 HA HIS 4 19.740 1.076 7.052
19 HB2 HIS 4 HB2 HIS 4 17.775 3.042 8.235
20 HB3 HIS 4 HB1 HIS 4 19.314 2.512 8.911
21 HD2 HIS 4 HD2 HIS 4 20.021 3.130 5.283
22 HE1 HIS 4 HE1 HIS 4 20.662 6.872 7.127
23 HE2 HIS 4 HE2 HIS 4 21.013 5.529 5.002
24 H ASN 5 HN ASN 5 16.721 0.372 6.054
25 HA ASN 5 HA ASN 5 16.389 -1.676 8.081
26 HB2 ASN 5 HB2 ASN 5 15.224 0.482 8.894
27 HB3 ASN 5 HB1 ASN 5 14.052 0.164 7.616
28 HD21 ASN 5 HD21 ASN 5 15.711 -1.730 10.219
29 HD22 ASN 5 HD22 ASN 5 14.315 -2.583 10.673
30 H HIS 6 HN HIS 6 14.555 -3.145 7.533
31 HA HIS 6 HA HIS 6 14.632 -3.810 4.754
32 HB2 HIS 6 HB2 HIS 6 12.954 -4.907 7.021
33 HB3 HIS 6 HB1 HIS 6 13.019 -5.598 5.399
34 HD2 HIS 6 HD2 HIS 6 14.963 -5.837 8.683
35 HE1 HIS 6 HE1 HIS 6 17.512 -7.408 5.707
36 HE2 HIS 6 HE2 HIS 6 17.165 -7.161 8.209
37 H ALA 7 HN ALA 7 13.032 -3.685 3.209
38 HA ALA 7 HA ALA 7 11.541 -1.535 2.798
39 HB1 ALA 7 HB1 ALA 7 10.125 -2.760 1.336
40 HB2 ALA 7 HB2 ALA 7 10.300 -4.234 2.287
41 HB3 ALA 7 HB3 ALA 7 11.661 -3.625 1.345
42 HA PRO 8 HA PRO 8 9.330 -1.036 1.860
43 HB2 PRO 8 HB2 PRO 8 8.308 1.341 3.268
44 HB3 PRO 8 HB1 PRO 8 7.582 0.424 1.935
45 HG2 PRO 8 HG2 PRO 8 6.611 0.360 4.439
46 HG3 PRO 8 HG1 PRO 8 6.514 -1.022 3.335
47 HD2 PRO 8 HD2 PRO 8 8.364 -0.591 5.654
48 HD3 PRO 8 HD1 PRO 8 7.615 -2.091 5.068
49 H DAL 9 HN DAL 9 10.785 0.276 0.898
50 HA DAL 9 HA DAL 9 12.998 1.095 0.847
51 HB1 DAL 9 HB2 DAL 9 12.824 2.236 3.593
52 HB2 DAL 9 HB3 DAL 9 12.971 0.484 3.439
53 H MET 10 HN MET 10 13.722 3.559 2.134
54 HA MET 10 HA MET 10 11.747 5.557 1.874
55 HB2 MET 10 HB2 MET 10 13.620 6.245 3.078
56 HB3 MET 10 HB1 MET 10 14.749 5.553 1.912
57 HG2 MET 10 HG2 MET 10 13.906 7.275 0.243
58 HG3 MET 10 HG1 MET 10 13.063 8.045 1.587
59 HE1 MET 10 HE1 MET 10 16.013 6.836 -0.048
60 HE2 MET 10 HE2 MET 10 17.449 7.529 0.705
61 HE3 MET 10 HE3 MET 10 16.458 8.520 -0.363
62 HA PRO 11 HA PRO 11 13.800 6.078 -2.585
63 HB2 PRO 11 HB2 PRO 11 14.159 3.173 -3.108
64 HB3 PRO 11 HB1 PRO 11 15.189 4.539 -3.567
65 HG2 PRO 11 HG2 PRO 11 15.898 2.894 -1.597
66 HG3 PRO 11 HG1 PRO 11 16.223 4.634 -1.512
67 HD2 PRO 11 HD2 PRO 11 14.124 3.038 -0.104
68 HD3 PRO 11 HD1 PRO 11 15.054 4.442 0.470
69 HA PRO 12 HA PRO 12 9.438 5.084 -3.370
70 HB2 PRO 12 HB2 PRO 12 9.180 7.009 -5.334
71 HB3 PRO 12 HB1 PRO 12 8.987 7.313 -3.598
72 HG2 PRO 12 HG2 PRO 12 11.338 7.808 -5.357
73 HG3 PRO 12 HG1 PRO 12 10.678 8.800 -4.045
74 HD2 PRO 12 HD2 PRO 12 12.881 7.258 -3.698
75 HD3 PRO 12 HD1 PRO 12 11.714 7.532 -2.385
76 H DAL 13 HN DAL 13 9.918 3.020 -4.309
77 HA DAL 13 HA DAL 13 9.382 2.861 -7.096
78 HB1 DAL 13 HB2 DAL 13 10.508 0.419 -6.066
79 HB2 DAL 13 HB3 DAL 13 9.373 1.098 -4.901
80 H TYR 14 HN TYR 14 12.313 2.914 -5.236
81 HA TYR 14 HA TYR 14 13.964 3.409 -7.460
82 HB2 TYR 14 HB2 TYR 14 14.622 4.026 -5.207
83 HB3 TYR 14 HB1 TYR 14 14.660 2.337 -4.717
84 HD1 TYR 14 HD1 TYR 14 16.382 5.004 -6.513
85 HD2 TYR 14 HD2 TYR 14 16.380 0.804 -5.633
86 HE1 TYR 14 HE1 TYR 14 18.725 4.842 -7.301
87 HE2 TYR 14 HE2 TYR 14 18.726 0.635 -6.424
88 HH TYR 14 HH TYR 14 20.718 3.230 -6.824
89 H TRP 15 HN TRP 15 13.282 0.452 -5.656
90 HA TRP 15 HA TRP 15 15.025 -1.178 -7.285
91 HB2 TRP 15 HB2 TRP 15 12.873 -2.385 -5.603
92 HB3 TRP 15 HB1 TRP 15 14.555 -2.877 -5.798
93 HD1 TRP 15 HD1 TRP 15 16.297 -1.946 -4.115
94 HE1 TRP 15 HE1 TRP 15 16.156 -0.391 -2.060
95 HE3 TRP 15 HE3 TRP 15 11.510 -0.247 -4.623
96 HZ2 TRP 15 HZ2 TRP 15 14.257 1.342 -0.802
97 HZ3 TRP 15 HZ3 TRP 15 10.562 1.353 -2.987
98 HH2 TRP 15 HH2 TRP 15 11.929 2.150 -1.077
99 H GLU 16 HN GLU 16 12.141 0.274 -7.860
100 HA GLU 16 HA GLU 16 10.341 -0.117 -9.244
101 HB2 GLU 16 HB2 GLU 16 10.948 -0.971 -11.450
102 HB3 GLU 16 HB1 GLU 16 12.187 0.137 -10.868
103 HG2 GLU 16 HG2 GLU 16 13.593 -1.728 -10.174
104 HG3 GLU 16 HG1 GLU 16 12.334 -2.879 -10.619
105 H GLY 17 HN GLY 17 10.589 -1.977 -7.091
106 HA2 GLY 17 HA2 GLY 17 9.041 -4.181 -8.235
107 HA3 GLY 17 HA1 GLY 17 10.493 -4.607 -7.334
108 H GLU 18 HN GLU 18 10.423 -2.718 -5.304
109 HA GLU 18 HA GLU 18 8.638 -3.919 -3.465
110 HB2 GLU 18 HB2 GLU 18 10.487 -1.571 -3.418
111 HB3 GLU 18 HB1 GLU 18 9.299 -1.736 -2.125
112 HG2 GLU 18 HG2 GLU 18 11.233 -2.889 -1.350
113 HG3 GLU 18 HG1 GLU 18 10.120 -4.148 -1.881
114 H CYS 19 HN CYS 19 8.541 -0.854 -5.239
115 HA CYS 19 HA CYS 19 6.227 0.195 -4.005
116 HB2 CYS 19 HB2 CYS 19 6.105 1.361 -6.404
117 HB3 CYS 19 HB1 CYS 19 7.303 1.830 -5.198
Start of MODEL 14
1 H1 ALA 1 HT1 ALA 1 24.295 3.206 2.169
2 H2 ALA 1 HT2 ALA 1 22.947 4.025 1.536
3 H3 ALA 1 HT3 ALA 1 23.005 2.327 1.504
4 HA ALA 1 HA ALA 1 22.930 2.243 3.911
5 HB1 ALA 1 HB1 ALA 1 22.707 4.242 5.218
6 HB2 ALA 1 HB2 ALA 1 22.508 5.237 3.776
7 HB3 ALA 1 HB3 ALA 1 24.072 4.506 4.133
8 H ALA 2 HN ALA 2 21.107 1.085 3.295
9 HA ALA 2 HA ALA 2 18.735 2.426 2.315
10 HB1 ALA 2 HB1 ALA 2 19.674 -0.122 2.065
11 HB2 ALA 2 HB2 ALA 2 17.997 0.349 1.785
12 HB3 ALA 2 HB3 ALA 2 18.476 -0.322 3.346
13 H CYS 3 HN CYS 3 16.658 2.299 3.410
14 HA CYS 3 HA CYS 3 16.970 2.745 6.289
15 HB2 CYS 3 HB2 CYS 3 15.151 4.122 6.173
16 HB3 CYS 3 HB1 CYS 3 15.610 4.200 4.473
17 H HIS 4 HN HIS 4 16.594 1.138 7.643
18 HA HIS 4 HA HIS 4 15.852 -0.859 8.510
19 HB2 HIS 4 HB2 HIS 4 13.366 0.021 7.025
20 HB3 HIS 4 HB1 HIS 4 13.414 -1.299 8.194
21 HD2 HIS 4 HD2 HIS 4 15.720 1.111 9.757
22 HE1 HIS 4 HE1 HIS 4 11.920 2.486 10.983
23 HE2 HIS 4 HE2 HIS 4 14.418 2.661 11.408
24 H ASN 5 HN ASN 5 16.738 -0.592 5.473
25 HA ASN 5 HA ASN 5 17.338 -2.165 3.897
26 HB2 ASN 5 HB2 ASN 5 16.769 -3.724 6.229
27 HB3 ASN 5 HB1 ASN 5 16.105 -4.553 4.821
28 HD21 ASN 5 HD21 ASN 5 17.641 -6.068 4.160
29 HD22 ASN 5 HD22 ASN 5 19.303 -5.758 4.010
30 H HIS 6 HN HIS 6 16.309 -3.657 2.289
31 HA HIS 6 HA HIS 6 14.689 -3.327 0.555
32 HB2 HIS 6 HB2 HIS 6 13.499 -5.124 2.679
33 HB3 HIS 6 HB1 HIS 6 12.985 -5.068 0.993
34 HD2 HIS 6 HD2 HIS 6 14.808 -6.252 -0.850
35 HE1 HIS 6 HE1 HIS 6 17.473 -7.731 2.071
36 HE2 HIS 6 HE2 HIS 6 16.868 -7.790 -0.395
37 H ALA 7 HN ALA 7 12.444 -3.744 3.241
38 HA ALA 7 HA ALA 7 11.337 -1.059 2.733
39 HB1 ALA 7 HB1 ALA 7 9.963 -3.698 2.468
40 HB2 ALA 7 HB2 ALA 7 9.771 -2.230 1.508
41 HB3 ALA 7 HB3 ALA 7 9.046 -2.337 3.112
42 HA PRO 8 HA PRO 8 9.798 0.214 3.532
43 HB2 PRO 8 HB2 PRO 8 10.276 2.417 5.093
44 HB3 PRO 8 HB1 PRO 8 8.823 1.410 5.237
45 HG2 PRO 8 HG2 PRO 8 11.268 1.454 6.922
46 HG3 PRO 8 HG1 PRO 8 9.575 1.213 7.386
47 HD2 PRO 8 HD2 PRO 8 11.390 -0.843 7.146
48 HD3 PRO 8 HD1 PRO 8 9.638 -1.045 6.942
49 H DAL 9 HN DAL 9 10.812 2.251 2.621
50 HA DAL 9 HA DAL 9 13.065 1.969 1.284
51 HB1 DAL 9 HB2 DAL 9 14.468 1.357 3.086
52 HB2 DAL 9 HB3 DAL 9 14.883 3.037 2.746
53 H MET 10 HN MET 10 14.563 4.225 1.445
54 HA MET 10 HA MET 10 12.899 6.555 1.848
55 HB2 MET 10 HB2 MET 10 15.117 7.037 2.315
56 HB3 MET 10 HB1 MET 10 15.722 6.046 0.989
57 HG2 MET 10 HG2 MET 10 15.188 7.680 -0.631
58 HG3 MET 10 HG1 MET 10 14.084 8.524 0.456
59 HE1 MET 10 HE1 MET 10 18.092 8.230 -0.516
60 HE2 MET 10 HE2 MET 10 17.811 9.953 -0.759
61 HE3 MET 10 HE3 MET 10 16.678 8.780 -1.427
62 HA PRO 11 HA PRO 11 13.238 6.913 -2.952
63 HB2 PRO 11 HB2 PRO 11 14.303 4.748 -4.267
64 HB3 PRO 11 HB1 PRO 11 15.246 6.157 -3.756
65 HG2 PRO 11 HG2 PRO 11 14.976 3.496 -2.437
66 HG3 PRO 11 HG1 PRO 11 16.412 4.512 -2.645
67 HD2 PRO 11 HD2 PRO 11 15.071 4.398 -0.294
68 HD3 PRO 11 HD1 PRO 11 15.863 5.889 -0.855
69 HA PRO 12 HA PRO 12 9.496 4.395 -2.827
70 HB2 PRO 12 HB2 PRO 12 8.076 5.968 -4.564
71 HB3 PRO 12 HB1 PRO 12 8.286 6.342 -2.843
72 HG2 PRO 12 HG2 PRO 12 9.695 7.462 -5.209
73 HG3 PRO 12 HG1 PRO 12 9.164 8.265 -3.722
74 HD2 PRO 12 HD2 PRO 12 11.764 7.514 -4.182
75 HD3 PRO 12 HD1 PRO 12 11.060 7.649 -2.556
76 H DAL 13 HN DAL 13 10.460 2.587 -3.933
77 HA DAL 13 HA DAL 13 9.767 2.512 -6.803
78 HB1 DAL 13 HB2 DAL 13 10.311 -0.085 -5.692
79 HB2 DAL 13 HB3 DAL 13 9.157 0.767 -4.667
80 H TYR 14 HN TYR 14 12.364 2.206 -4.547
81 HA TYR 14 HA TYR 14 14.375 2.350 -6.518
82 HB2 TYR 14 HB2 TYR 14 14.682 3.002 -4.153
83 HB3 TYR 14 HB1 TYR 14 14.574 1.313 -3.682
84 HD1 TYR 14 HD1 TYR 14 16.593 3.828 -5.470
85 HD2 TYR 14 HD2 TYR 14 16.383 -0.238 -4.105
86 HE1 TYR 14 HE1 TYR 14 19.009 3.550 -5.936
87 HE2 TYR 14 HE2 TYR 14 18.802 -0.521 -4.572
88 HH TYR 14 HH TYR 14 20.785 2.211 -5.697
89 H TRP 15 HN TRP 15 13.156 -0.382 -4.628
90 HA TRP 15 HA TRP 15 14.879 -2.301 -5.878
91 HB2 TRP 15 HB2 TRP 15 12.304 -3.158 -4.647
92 HB3 TRP 15 HB1 TRP 15 13.923 -3.829 -4.450
93 HD1 TRP 15 HD1 TRP 15 15.412 -2.905 -2.516
94 HE1 TRP 15 HE1 TRP 15 14.988 -1.248 -0.579
95 HE3 TRP 15 HE3 TRP 15 10.935 -0.942 -3.991
96 HZ2 TRP 15 HZ2 TRP 15 13.013 0.642 0.229
97 HZ3 TRP 15 HZ3 TRP 15 9.809 0.787 -2.622
98 HH2 TRP 15 HH2 TRP 15 10.839 1.579 -0.511
99 H GLU 16 HN GLU 16 12.480 -0.486 -7.099
100 HA GLU 16 HA GLU 16 10.813 -0.795 -8.699
101 HB2 GLU 16 HB2 GLU 16 12.814 -0.397 -9.992
102 HB3 GLU 16 HB1 GLU 16 13.282 -2.090 -9.871
103 HG2 GLU 16 HG2 GLU 16 11.262 -2.743 -11.130
104 HG3 GLU 16 HG1 GLU 16 10.775 -1.052 -11.231
105 H GLY 17 HN GLY 17 9.672 -2.300 -7.210
106 HA2 GLY 17 HA2 GLY 17 8.679 -4.530 -8.567
107 HA3 GLY 17 HA1 GLY 17 9.889 -5.108 -7.427
108 H GLU 18 HN GLU 18 9.553 -3.477 -5.270
109 HA GLU 18 HA GLU 18 7.251 -4.571 -4.015
110 HB2 GLU 18 HB2 GLU 18 9.101 -2.331 -3.163
111 HB3 GLU 18 HB1 GLU 18 7.857 -3.041 -2.134
112 HG2 GLU 18 HG2 GLU 18 10.131 -4.580 -3.418
113 HG3 GLU 18 HG1 GLU 18 10.088 -4.056 -1.735
114 H CYS 19 HN CYS 19 7.988 -1.395 -5.387
115 HA CYS 19 HA CYS 19 5.521 -0.191 -4.544
116 HB2 CYS 19 HB2 CYS 19 6.227 1.528 -6.350
117 HB3 CYS 19 HB1 CYS 19 7.248 1.351 -4.923
Start of MODEL 15
1 H1 ALA 1 HT1 ALA 1 21.397 6.519 -0.175
2 H2 ALA 1 HT2 ALA 1 21.571 4.830 -0.109
3 H3 ALA 1 HT3 ALA 1 22.770 5.839 0.550
4 HA ALA 1 HA ALA 1 21.771 5.603 2.501
5 HB1 ALA 1 HB1 ALA 1 20.458 7.661 1.046
6 HB2 ALA 1 HB2 ALA 1 20.599 7.499 2.798
7 HB3 ALA 1 HB3 ALA 1 19.216 6.799 1.957
8 H ALA 2 HN ALA 2 21.598 3.238 1.501
9 HA ALA 2 HA ALA 2 19.018 2.212 0.910
10 HB1 ALA 2 HB1 ALA 2 20.486 0.107 1.999
11 HB2 ALA 2 HB2 ALA 2 21.705 1.168 1.293
12 HB3 ALA 2 HB3 ALA 2 20.392 0.545 0.293
13 H CYS 3 HN CYS 3 17.493 1.254 2.194
14 HA CYS 3 HA CYS 3 17.721 1.797 5.075
15 HB2 CYS 3 HB2 CYS 3 15.214 1.182 4.974
16 HB3 CYS 3 HB1 CYS 3 15.714 2.709 4.251
17 H HIS 4 HN HIS 4 18.347 0.182 6.345
18 HA HIS 4 HA HIS 4 18.571 -2.507 5.504
19 HB2 HIS 4 HB2 HIS 4 19.044 -2.976 7.889
20 HB3 HIS 4 HB1 HIS 4 19.959 -1.593 7.292
21 HD2 HIS 4 HD2 HIS 4 19.360 0.843 8.557
22 HE1 HIS 4 HE1 HIS 4 16.249 -0.602 11.014
23 HE2 HIS 4 HE2 HIS 4 17.723 1.403 10.512
24 H ASN 5 HN ASN 5 15.917 -0.702 6.756
25 HA ASN 5 HA ASN 5 14.430 -2.762 7.982
26 HB2 ASN 5 HB2 ASN 5 13.929 -0.324 8.171
27 HB3 ASN 5 HB1 ASN 5 13.356 -0.349 6.504
28 HD21 ASN 5 HD21 ASN 5 11.406 0.400 8.196
29 HD22 ASN 5 HD22 ASN 5 10.330 -0.869 8.536
30 H HIS 6 HN HIS 6 12.945 -4.214 7.204
31 HA HIS 6 HA HIS 6 13.240 -5.069 4.487
32 HB2 HIS 6 HB2 HIS 6 11.325 -5.945 6.661
33 HB3 HIS 6 HB1 HIS 6 11.492 -6.740 5.093
34 HD2 HIS 6 HD2 HIS 6 13.446 -6.437 8.472
35 HE1 HIS 6 HE1 HIS 6 15.622 -9.031 5.950
36 HE2 HIS 6 HE2 HIS 6 15.452 -8.102 8.307
37 H ALA 7 HN ALA 7 12.552 -2.692 3.895
38 HA ALA 7 HA ALA 7 11.047 -1.361 2.799
39 HB1 ALA 7 HB1 ALA 7 8.979 -2.697 1.890
40 HB2 ALA 7 HB2 ALA 7 9.903 -4.101 2.423
41 HB3 ALA 7 HB3 ALA 7 10.585 -3.001 1.225
42 HA PRO 8 HA PRO 8 9.153 -0.366 1.884
43 HB2 PRO 8 HB2 PRO 8 8.627 2.252 2.571
44 HB3 PRO 8 HB1 PRO 8 7.383 1.067 2.131
45 HG2 PRO 8 HG2 PRO 8 8.206 2.047 4.807
46 HG3 PRO 8 HG1 PRO 8 6.602 1.585 4.212
47 HD2 PRO 8 HD2 PRO 8 8.125 -0.042 5.824
48 HD3 PRO 8 HD1 PRO 8 6.932 -0.656 4.661
49 H DAL 9 HN DAL 9 10.781 0.838 0.932
50 HA DAL 9 HA DAL 9 13.112 1.192 0.867
51 HB1 DAL 9 HB2 DAL 9 13.247 2.054 3.713
52 HB2 DAL 9 HB3 DAL 9 13.003 0.337 3.393
53 H MET 10 HN MET 10 14.475 3.274 2.042
54 HA MET 10 HA MET 10 13.054 5.682 2.331
55 HB2 MET 10 HB2 MET 10 15.276 5.752 3.070
56 HB3 MET 10 HB1 MET 10 15.892 5.015 1.591
57 HG2 MET 10 HG2 MET 10 14.479 7.461 0.972
58 HG3 MET 10 HG1 MET 10 15.732 7.768 2.174
59 HE1 MET 10 HE1 MET 10 16.075 7.631 -2.128
60 HE2 MET 10 HE2 MET 10 16.069 9.013 -1.034
61 HE3 MET 10 HE3 MET 10 14.729 7.869 -1.003
62 HA PRO 11 HA PRO 11 13.871 6.536 -2.329
63 HB2 PRO 11 HB2 PRO 11 14.784 4.473 -3.864
64 HB3 PRO 11 HB1 PRO 11 15.855 5.607 -3.025
65 HG2 PRO 11 HG2 PRO 11 15.049 2.845 -2.236
66 HG3 PRO 11 HG1 PRO 11 16.629 3.638 -2.119
67 HD2 PRO 11 HD2 PRO 11 14.944 3.358 0.025
68 HD3 PRO 11 HD1 PRO 11 16.087 4.711 -0.143
69 HA PRO 12 HA PRO 12 9.809 4.684 -2.852
70 HB2 PRO 12 HB2 PRO 12 8.985 6.472 -4.780
71 HB3 PRO 12 HB1 PRO 12 8.937 6.792 -3.037
72 HG2 PRO 12 HG2 PRO 12 10.933 7.660 -5.067
73 HG3 PRO 12 HG1 PRO 12 10.259 8.550 -3.690
74 HD2 PRO 12 HD2 PRO 12 12.737 7.436 -3.608
75 HD3 PRO 12 HD1 PRO 12 11.710 7.566 -2.162
76 H DAL 13 HN DAL 13 10.521 2.722 -3.827
77 HA DAL 13 HA DAL 13 10.032 2.632 -6.700
78 HB1 DAL 13 HB2 DAL 13 10.716 0.078 -5.565
79 HB2 DAL 13 HB3 DAL 13 9.543 0.894 -4.533
80 H TYR 14 HN TYR 14 12.699 2.080 -4.482
81 HA TYR 14 HA TYR 14 14.678 2.470 -6.449
82 HB2 TYR 14 HB2 TYR 14 15.084 2.740 -4.045
83 HB3 TYR 14 HB1 TYR 14 14.876 1.010 -3.806
84 HD1 TYR 14 HD1 TYR 14 17.020 3.633 -5.249
85 HD2 TYR 14 HD2 TYR 14 16.572 -0.573 -4.521
86 HE1 TYR 14 HE1 TYR 14 19.407 3.282 -5.817
87 HE2 TYR 14 HE2 TYR 14 18.960 -0.928 -5.091
88 HH TYR 14 HH TYR 14 20.808 0.014 -5.929
89 H TRP 15 HN TRP 15 13.387 -0.481 -4.980
90 HA TRP 15 HA TRP 15 14.981 -2.219 -6.648
91 HB2 TRP 15 HB2 TRP 15 12.577 -3.248 -5.219
92 HB3 TRP 15 HB1 TRP 15 14.202 -3.927 -5.322
93 HD1 TRP 15 HD1 TRP 15 15.922 -3.278 -3.475
94 HE1 TRP 15 HE1 TRP 15 15.767 -1.892 -1.302
95 HE3 TRP 15 HE3 TRP 15 11.341 -1.121 -4.127
96 HZ2 TRP 15 HZ2 TRP 15 13.937 -0.108 -0.016
97 HZ3 TRP 15 HZ3 TRP 15 10.417 0.415 -2.417
98 HH2 TRP 15 HH2 TRP 15 11.709 0.924 -0.362
99 H GLU 16 HN GLU 16 12.409 -0.300 -7.276
100 HA GLU 16 HA GLU 16 10.655 -0.316 -8.774
101 HB2 GLU 16 HB2 GLU 16 11.285 -1.072 -11.012
102 HB3 GLU 16 HB1 GLU 16 12.619 -0.196 -10.265
103 HG2 GLU 16 HG2 GLU 16 13.688 -2.309 -9.634
104 HG3 GLU 16 HG1 GLU 16 12.335 -3.214 -10.316
105 H GLY 17 HN GLY 17 10.888 -2.625 -6.840
106 HA2 GLY 17 HA2 GLY 17 9.145 -4.506 -8.319
107 HA3 GLY 17 HA1 GLY 17 10.314 -5.044 -7.117
108 H GLU 18 HN GLU 18 9.551 -2.428 -5.632
109 HA GLU 18 HA GLU 18 7.146 -3.553 -4.325
110 HB2 GLU 18 HB2 GLU 18 9.390 -1.877 -3.173
111 HB3 GLU 18 HB1 GLU 18 7.941 -2.358 -2.290
112 HG2 GLU 18 HG2 GLU 18 9.912 -4.276 -3.567
113 HG3 GLU 18 HG1 GLU 18 9.856 -3.882 -1.850
114 H CYS 19 HN CYS 19 8.628 -0.372 -3.935
115 HA CYS 19 HA CYS 19 7.551 1.688 -3.834
116 HB2 CYS 19 HB2 CYS 19 6.432 1.366 -6.518
117 HB3 CYS 19 HB1 CYS 19 7.651 2.498 -5.932
Start of MODEL 16
1 H1 ALA 1 HT1 ALA 1 24.440 -0.287 1.947
2 H2 ALA 1 HT2 ALA 1 23.142 0.062 0.909
3 H3 ALA 1 HT3 ALA 1 22.898 -0.906 2.283
4 HA ALA 1 HA ALA 1 23.128 0.875 3.752
5 HB1 ALA 1 HB1 ALA 1 24.534 2.592 3.347
6 HB2 ALA 1 HB2 ALA 1 23.703 3.001 1.845
7 HB3 ALA 1 HB3 ALA 1 24.968 1.772 1.847
8 H ALA 2 HN ALA 2 20.989 -0.231 2.396
9 HA ALA 2 HA ALA 2 19.419 1.767 1.056
10 HB1 ALA 2 HB1 ALA 2 17.732 -0.273 2.054
11 HB2 ALA 2 HB2 ALA 2 19.242 -1.050 1.580
12 HB3 ALA 2 HB3 ALA 2 18.343 -0.085 0.410
13 H CYS 3 HN CYS 3 17.388 2.617 1.832
14 HA CYS 3 HA CYS 3 17.494 3.999 4.204
15 HB2 CYS 3 HB2 CYS 3 14.887 3.904 4.024
16 HB3 CYS 3 HB1 CYS 3 15.810 4.699 2.749
17 H HIS 4 HN HIS 4 15.394 1.147 3.735
18 HA HIS 4 HA HIS 4 15.863 0.456 6.570
19 HB2 HIS 4 HB2 HIS 4 13.317 0.283 4.948
20 HB3 HIS 4 HB1 HIS 4 13.531 -0.517 6.505
21 HD2 HIS 4 HD2 HIS 4 15.383 2.500 7.275
22 HE1 HIS 4 HE1 HIS 4 11.390 3.805 7.688
23 HE2 HIS 4 HE2 HIS 4 13.811 4.360 8.216
24 H ASN 5 HN ASN 5 15.900 -1.768 7.082
25 HA ASN 5 HA ASN 5 17.227 -3.411 5.214
26 HB2 ASN 5 HB2 ASN 5 15.885 -3.944 7.855
27 HB3 ASN 5 HB1 ASN 5 16.628 -5.243 6.922
28 HD21 ASN 5 HD21 ASN 5 17.655 -4.471 9.487
29 HD22 ASN 5 HD22 ASN 5 19.188 -3.779 9.259
30 H HIS 6 HN HIS 6 13.846 -3.291 6.272
31 HA HIS 6 HA HIS 6 13.148 -4.968 3.942
32 HB2 HIS 6 HB2 HIS 6 12.238 -5.231 6.796
33 HB3 HIS 6 HB1 HIS 6 11.225 -5.800 5.467
34 HD2 HIS 6 HD2 HIS 6 14.452 -6.573 3.998
35 HE1 HIS 6 HE1 HIS 6 13.920 -9.793 6.675
36 HE2 HIS 6 HE2 HIS 6 15.252 -8.962 4.680
37 H ALA 7 HN ALA 7 13.146 -2.012 4.537
38 HA ALA 7 HA ALA 7 11.841 -0.241 3.871
39 HB1 ALA 7 HB1 ALA 7 9.388 -1.706 3.267
40 HB2 ALA 7 HB2 ALA 7 10.797 -2.368 2.437
41 HB3 ALA 7 HB3 ALA 7 10.366 -0.672 2.224
42 HA PRO 8 HA PRO 8 9.081 0.421 3.178
43 HB2 PRO 8 HB2 PRO 8 8.863 3.012 4.598
44 HB3 PRO 8 HB1 PRO 8 7.693 2.203 3.538
45 HG2 PRO 8 HG2 PRO 8 7.367 2.358 6.197
46 HG3 PRO 8 HG1 PRO 8 6.793 0.983 5.240
47 HD2 PRO 8 HD2 PRO 8 9.159 1.154 7.056
48 HD3 PRO 8 HD1 PRO 8 8.113 -0.232 6.682
49 H DAL 9 HN DAL 9 10.333 1.427 1.704
50 HA DAL 9 HA DAL 9 12.512 1.867 0.920
51 HB1 DAL 9 HB2 DAL 9 13.196 3.040 3.610
52 HB2 DAL 9 HB3 DAL 9 13.345 1.314 3.282
53 H MET 10 HN MET 10 13.676 4.405 2.343
54 HA MET 10 HA MET 10 12.071 6.592 2.231
55 HB2 MET 10 HB2 MET 10 14.912 6.078 1.722
56 HB3 MET 10 HB1 MET 10 14.299 7.510 0.892
57 HG2 MET 10 HG2 MET 10 13.586 8.518 2.918
58 HG3 MET 10 HG1 MET 10 13.715 7.002 3.811
59 HE1 MET 10 HE1 MET 10 17.379 8.997 1.895
60 HE2 MET 10 HE2 MET 10 15.702 9.290 1.446
61 HE3 MET 10 HE3 MET 10 16.421 7.708 1.153
62 HA PRO 11 HA PRO 11 12.372 7.128 -2.506
63 HB2 PRO 11 HB2 PRO 11 13.825 5.334 -3.953
64 HB3 PRO 11 HB1 PRO 11 14.532 6.787 -3.225
65 HG2 PRO 11 HG2 PRO 11 14.594 3.969 -2.248
66 HG3 PRO 11 HG1 PRO 11 15.874 5.194 -2.245
67 HD2 PRO 11 HD2 PRO 11 14.405 4.582 -0.023
68 HD3 PRO 11 HD1 PRO 11 15.096 6.194 -0.310
69 HA PRO 12 HA PRO 12 9.133 3.976 -2.637
70 HB2 PRO 12 HB2 PRO 12 7.453 5.432 -4.245
71 HB3 PRO 12 HB1 PRO 12 7.583 5.657 -2.491
72 HG2 PRO 12 HG2 PRO 12 8.776 7.251 -4.698
73 HG3 PRO 12 HG1 PRO 12 8.099 7.789 -3.151
74 HD2 PRO 12 HD2 PRO 12 10.793 7.584 -3.611
75 HD3 PRO 12 HD1 PRO 12 10.064 7.397 -2.001
76 H DAL 13 HN DAL 13 10.406 2.484 -3.894
77 HA DAL 13 HA DAL 13 9.743 2.582 -6.771
78 HB1 DAL 13 HB2 DAL 13 10.705 0.030 -5.703
79 HB2 DAL 13 HB3 DAL 13 9.226 0.606 -4.932
80 H TYR 14 HN TYR 14 12.348 2.617 -4.539
81 HA TYR 14 HA TYR 14 14.292 3.227 -6.457
82 HB2 TYR 14 HB2 TYR 14 14.519 3.685 -4.042
83 HB3 TYR 14 HB1 TYR 14 14.686 1.961 -3.736
84 HD1 TYR 14 HD1 TYR 14 16.297 4.973 -5.029
85 HD2 TYR 14 HD2 TYR 14 16.666 0.725 -4.540
86 HE1 TYR 14 HE1 TYR 14 18.719 5.132 -5.521
87 HE2 TYR 14 HE2 TYR 14 19.091 0.876 -5.033
88 HH TYR 14 HH TYR 14 20.557 2.770 -6.476
89 H TRP 15 HN TRP 15 13.601 0.165 -4.807
90 HA TRP 15 HA TRP 15 15.581 -1.354 -6.158
91 HB2 TRP 15 HB2 TRP 15 13.062 -2.620 -5.160
92 HB3 TRP 15 HB1 TRP 15 14.732 -3.169 -5.008
93 HD1 TRP 15 HD1 TRP 15 16.161 -2.253 -3.001
94 HE1 TRP 15 HE1 TRP 15 15.556 -0.910 -0.881
95 HE3 TRP 15 HE3 TRP 15 11.438 -0.752 -4.226
96 HZ2 TRP 15 HZ2 TRP 15 13.358 0.595 0.151
97 HZ3 TRP 15 HZ3 TRP 15 10.113 0.637 -2.659
98 HH2 TRP 15 HH2 TRP 15 11.066 1.311 -0.472
99 H GLU 16 HN GLU 16 12.258 -0.487 -6.853
100 HA GLU 16 HA GLU 16 11.177 -0.495 -8.906
101 HB2 GLU 16 HB2 GLU 16 12.394 -0.791 -10.789
102 HB3 GLU 16 HB1 GLU 16 13.774 -0.935 -9.703
103 HG2 GLU 16 HG2 GLU 16 13.365 -3.408 -9.599
104 HG3 GLU 16 HG1 GLU 16 12.094 -3.208 -10.801
105 H GLY 17 HN GLY 17 11.695 -2.838 -6.747
106 HA2 GLY 17 HA2 GLY 17 9.991 -4.811 -8.150
107 HA3 GLY 17 HA1 GLY 17 11.159 -5.235 -6.904
108 H GLU 18 HN GLU 18 10.568 -3.124 -5.082
109 HA GLU 18 HA GLU 18 8.405 -4.275 -3.657
110 HB2 GLU 18 HB2 GLU 18 9.826 -1.626 -3.315
111 HB3 GLU 18 HB1 GLU 18 8.656 -2.280 -2.168
112 HG2 GLU 18 HG2 GLU 18 11.202 -3.682 -3.029
113 HG3 GLU 18 HG1 GLU 18 11.003 -2.796 -1.519
114 H CYS 19 HN CYS 19 8.689 -1.421 -5.721
115 HA CYS 19 HA CYS 19 5.989 -0.539 -5.217
116 HB2 CYS 19 HB2 CYS 19 6.601 0.861 -7.373
117 HB3 CYS 19 HB1 CYS 19 7.325 1.251 -5.812
Start of MODEL 17
1 H1 ALA 1 HT1 ALA 1 20.454 -1.767 4.107
2 H2 ALA 1 HT2 ALA 1 19.526 -0.550 3.369
3 H3 ALA 1 HT3 ALA 1 19.783 -0.527 5.048
4 HA ALA 1 HA ALA 1 21.969 0.144 4.864
5 HB1 ALA 1 HB1 ALA 1 21.961 -1.612 2.687
6 HB2 ALA 1 HB2 ALA 1 23.342 -0.689 3.278
7 HB3 ALA 1 HB3 ALA 1 22.337 -0.041 1.980
8 H ALA 2 HN ALA 2 19.966 0.664 1.951
9 HA ALA 2 HA ALA 2 20.686 3.347 1.526
10 HB1 ALA 2 HB1 ALA 2 19.021 3.382 -0.081
11 HB2 ALA 2 HB2 ALA 2 17.920 2.402 0.889
12 HB3 ALA 2 HB3 ALA 2 19.288 1.645 0.070
13 H CYS 3 HN CYS 3 17.996 1.927 3.358
14 HA CYS 3 HA CYS 3 17.723 4.493 4.791
15 HB2 CYS 3 HB2 CYS 3 15.176 3.675 4.855
16 HB3 CYS 3 HB1 CYS 3 15.796 4.701 3.562
17 H HIS 4 HN HIS 4 15.671 1.676 5.137
18 HA HIS 4 HA HIS 4 17.140 0.759 7.494
19 HB2 HIS 4 HB2 HIS 4 14.212 1.396 7.780
20 HB3 HIS 4 HB1 HIS 4 15.408 1.096 9.043
21 HD2 HIS 4 HD2 HIS 4 14.371 4.020 6.601
22 HE1 HIS 4 HE1 HIS 4 17.039 5.567 9.484
23 HE2 HIS 4 HE2 HIS 4 15.499 6.173 7.559
24 H ASN 5 HN ASN 5 17.390 -1.328 6.933
25 HA ASN 5 HA ASN 5 16.882 -3.497 6.371
26 HB2 ASN 5 HB2 ASN 5 14.432 -2.453 7.675
27 HB3 ASN 5 HB1 ASN 5 14.243 -3.930 6.729
28 HD21 ASN 5 HD21 ASN 5 15.981 -5.687 7.247
29 HD22 ASN 5 HD22 ASN 5 16.441 -5.840 8.874
30 H HIS 6 HN HIS 6 14.718 -4.679 5.162
31 HA HIS 6 HA HIS 6 14.871 -3.514 2.481
32 HB2 HIS 6 HB2 HIS 6 13.941 -6.188 3.533
33 HB3 HIS 6 HB1 HIS 6 13.709 -5.697 1.854
34 HD2 HIS 6 HD2 HIS 6 16.957 -4.143 2.464
35 HE1 HIS 6 HE1 HIS 6 17.999 -8.162 1.697
36 HE2 HIS 6 HE2 HIS 6 18.895 -5.792 1.874
37 H ALA 7 HN ALA 7 13.452 -1.817 2.446
38 HA ALA 7 HA ALA 7 11.443 -0.721 2.319
39 HB1 ALA 7 HB1 ALA 7 10.860 -3.506 1.499
40 HB2 ALA 7 HB2 ALA 7 10.548 -1.990 0.655
41 HB3 ALA 7 HB3 ALA 7 9.465 -2.523 1.942
42 HA PRO 8 HA PRO 8 9.566 0.196 2.489
43 HB2 PRO 8 HB2 PRO 8 8.946 2.344 4.087
44 HB3 PRO 8 HB1 PRO 8 7.784 1.086 3.627
45 HG2 PRO 8 HG2 PRO 8 9.208 1.501 6.180
46 HG3 PRO 8 HG1 PRO 8 7.613 0.799 5.872
47 HD2 PRO 8 HD2 PRO 8 9.911 -0.666 6.453
48 HD3 PRO 8 HD1 PRO 8 8.456 -1.317 5.673
49 H DAL 9 HN DAL 9 11.159 1.181 1.469
50 HA DAL 9 HA DAL 9 13.402 1.869 1.222
51 HB1 DAL 9 HB2 DAL 9 13.465 2.959 4.011
52 HB2 DAL 9 HB3 DAL 9 13.642 1.222 3.756
53 H MET 10 HN MET 10 14.518 4.177 1.734
54 HA MET 10 HA MET 10 12.777 6.401 2.054
55 HB2 MET 10 HB2 MET 10 15.604 5.967 1.271
56 HB3 MET 10 HB1 MET 10 14.864 7.473 0.725
57 HG2 MET 10 HG2 MET 10 14.035 7.726 3.159
58 HG3 MET 10 HG1 MET 10 15.217 6.477 3.552
59 HE1 MET 10 HE1 MET 10 17.272 6.572 1.843
60 HE2 MET 10 HE2 MET 10 18.427 7.895 1.978
61 HE3 MET 10 HE3 MET 10 17.200 7.932 0.714
62 HA PRO 11 HA PRO 11 12.973 6.964 -2.718
63 HB2 PRO 11 HB2 PRO 11 14.159 4.950 -4.158
64 HB3 PRO 11 HB1 PRO 11 15.011 6.396 -3.595
65 HG2 PRO 11 HG2 PRO 11 14.961 3.660 -2.406
66 HG3 PRO 11 HG1 PRO 11 16.316 4.787 -2.589
67 HD2 PRO 11 HD2 PRO 11 15.034 4.456 -0.226
68 HD3 PRO 11 HD1 PRO 11 15.712 6.025 -0.719
69 HA PRO 12 HA PRO 12 9.432 4.119 -2.481
70 HB2 PRO 12 HB2 PRO 12 8.209 6.193 -4.194
71 HB3 PRO 12 HB1 PRO 12 7.671 5.563 -2.626
72 HG2 PRO 12 HG2 PRO 12 8.695 8.015 -2.869
73 HG3 PRO 12 HG1 PRO 12 8.990 7.015 -1.436
74 HD2 PRO 12 HD2 PRO 12 10.823 7.560 -3.758
75 HD3 PRO 12 HD1 PRO 12 11.201 7.464 -2.018
76 H DAL 13 HN DAL 13 10.361 2.495 -3.809
77 HA DAL 13 HA DAL 13 9.653 2.743 -6.669
78 HB1 DAL 13 HB2 DAL 13 10.117 0.026 -5.834
79 HB2 DAL 13 HB3 DAL 13 8.951 0.791 -4.760
80 H TYR 14 HN TYR 14 12.223 2.356 -4.462
81 HA TYR 14 HA TYR 14 14.219 2.518 -6.451
82 HB2 TYR 14 HB2 TYR 14 14.549 3.210 -4.107
83 HB3 TYR 14 HB1 TYR 14 14.451 1.530 -3.597
84 HD1 TYR 14 HD1 TYR 14 16.511 4.096 -5.164
85 HD2 TYR 14 HD2 TYR 14 16.197 -0.097 -4.297
86 HE1 TYR 14 HE1 TYR 14 18.923 3.818 -5.647
87 HE2 TYR 14 HE2 TYR 14 18.611 -0.380 -4.784
88 HH TYR 14 HH TYR 14 20.361 0.865 -6.191
89 H TRP 15 HN TRP 15 13.103 -0.204 -4.482
90 HA TRP 15 HA TRP 15 14.827 -2.156 -5.563
91 HB2 TRP 15 HB2 TRP 15 12.080 -2.925 -4.681
92 HB3 TRP 15 HB1 TRP 15 13.632 -3.669 -4.300
93 HD1 TRP 15 HD1 TRP 15 14.917 -2.823 -2.193
94 HE1 TRP 15 HE1 TRP 15 14.341 -1.158 -0.307
95 HE3 TRP 15 HE3 TRP 15 10.746 -0.650 -4.179
96 HZ2 TRP 15 HZ2 TRP 15 12.368 0.831 0.276
97 HZ3 TRP 15 HZ3 TRP 15 9.542 1.126 -2.941
98 HH2 TRP 15 HH2 TRP 15 10.346 1.866 -0.717
99 H GLU 16 HN GLU 16 12.435 -0.391 -7.040
100 HA GLU 16 HA GLU 16 11.081 -0.692 -8.891
101 HB2 GLU 16 HB2 GLU 16 13.300 -0.411 -9.891
102 HB3 GLU 16 HB1 GLU 16 13.596 -2.139 -9.751
103 HG2 GLU 16 HG2 GLU 16 11.687 -2.594 -11.248
104 HG3 GLU 16 HG1 GLU 16 11.364 -0.868 -11.367
105 H GLY 17 HN GLY 17 9.917 -2.267 -7.282
106 HA2 GLY 17 HA2 GLY 17 8.908 -4.421 -8.781
107 HA3 GLY 17 HA1 GLY 17 10.079 -5.052 -7.627
108 H GLU 18 HN GLU 18 9.676 -3.419 -5.452
109 HA GLU 18 HA GLU 18 7.413 -4.588 -4.225
110 HB2 GLU 18 HB2 GLU 18 9.128 -2.229 -3.420
111 HB3 GLU 18 HB1 GLU 18 7.886 -2.939 -2.388
112 HG2 GLU 18 HG2 GLU 18 10.221 -4.472 -3.563
113 HG3 GLU 18 HG1 GLU 18 10.169 -3.838 -1.919
114 H CYS 19 HN CYS 19 7.959 -1.436 -5.718
115 HA CYS 19 HA CYS 19 5.289 -0.512 -5.007
116 HB2 CYS 19 HB2 CYS 19 5.994 1.523 -6.320
117 HB3 CYS 19 HB1 CYS 19 7.021 1.148 -4.936
Start of MODEL 18
1 H1 ALA 1 HT1 ALA 1 22.521 5.509 1.763
2 H2 ALA 1 HT2 ALA 1 22.731 5.927 3.396
3 H3 ALA 1 HT3 ALA 1 21.169 5.831 2.735
4 HA ALA 1 HA ALA 1 22.976 3.493 2.821
5 HB1 ALA 1 HB1 ALA 1 22.490 4.570 5.116
6 HB2 ALA 1 HB2 ALA 1 22.095 2.861 4.928
7 HB3 ALA 1 HB3 ALA 1 20.818 4.074 4.852
8 H ALA 2 HN ALA 2 21.805 1.543 2.448
9 HA ALA 2 HA ALA 2 19.431 1.950 0.785
10 HB1 ALA 2 HB1 ALA 2 21.649 0.165 0.734
11 HB2 ALA 2 HB2 ALA 2 20.329 0.296 -0.428
12 HB3 ALA 2 HB3 ALA 2 20.188 -0.797 0.948
13 H CYS 3 HN CYS 3 17.468 0.872 1.130
14 HA CYS 3 HA CYS 3 16.778 0.464 3.885
15 HB2 CYS 3 HB2 CYS 3 15.289 0.185 1.282
16 HB3 CYS 3 HB1 CYS 3 14.558 -0.264 2.824
17 H HIS 4 HN HIS 4 17.799 -1.288 4.754
18 HA HIS 4 HA HIS 4 17.716 -3.854 3.357
19 HB2 HIS 4 HB2 HIS 4 18.982 -4.595 5.467
20 HB3 HIS 4 HB1 HIS 4 19.805 -3.469 4.387
21 HD2 HIS 4 HD2 HIS 4 19.830 -0.722 5.359
22 HE1 HIS 4 HE1 HIS 4 18.823 -1.788 9.319
23 HE2 HIS 4 HE2 HIS 4 19.667 0.092 7.835
24 H ASN 5 HN ASN 5 16.258 -2.215 6.097
25 HA ASN 5 HA ASN 5 14.528 -4.580 6.501
26 HB2 ASN 5 HB2 ASN 5 16.171 -4.196 8.366
27 HB3 ASN 5 HB1 ASN 5 15.383 -2.646 8.659
28 HD21 ASN 5 HD21 ASN 5 15.431 -4.925 10.534
29 HD22 ASN 5 HD22 ASN 5 13.816 -5.390 10.767
30 H HIS 6 HN HIS 6 14.781 -1.223 5.902
31 HA HIS 6 HA HIS 6 12.401 -0.209 6.940
32 HB2 HIS 6 HB2 HIS 6 13.928 0.485 4.431
33 HB3 HIS 6 HB1 HIS 6 12.528 1.405 4.986
34 HD2 HIS 6 HD2 HIS 6 16.291 1.329 5.576
35 HE1 HIS 6 HE1 HIS 6 14.654 3.364 8.893
36 HE2 HIS 6 HE2 HIS 6 16.806 2.811 7.663
37 H ALA 7 HN ALA 7 12.695 -0.765 3.440
38 HA ALA 7 HA ALA 7 10.935 -1.180 1.946
39 HB1 ALA 7 HB1 ALA 7 12.066 -3.335 2.365
40 HB2 ALA 7 HB2 ALA 7 10.348 -3.556 2.038
41 HB3 ALA 7 HB3 ALA 7 10.951 -3.653 3.693
42 HA PRO 8 HA PRO 8 9.430 -0.185 0.938
43 HB2 PRO 8 HB2 PRO 8 8.308 2.356 1.944
44 HB3 PRO 8 HB1 PRO 8 7.934 1.466 0.457
45 HG2 PRO 8 HG2 PRO 8 6.248 1.587 2.549
46 HG3 PRO 8 HG1 PRO 8 6.340 0.191 1.462
47 HD2 PRO 8 HD2 PRO 8 7.387 0.480 4.244
48 HD3 PRO 8 HD1 PRO 8 6.771 -0.958 3.407
49 H DAL 9 HN DAL 9 11.005 1.276 0.273
50 HA DAL 9 HA DAL 9 13.232 1.932 0.614
51 HB1 DAL 9 HB2 DAL 9 12.730 2.614 3.478
52 HB2 DAL 9 HB3 DAL 9 12.868 0.918 3.019
53 H MET 10 HN MET 10 14.205 4.102 1.787
54 HA MET 10 HA MET 10 12.735 6.338 2.281
55 HB2 MET 10 HB2 MET 10 15.408 5.806 1.210
56 HB3 MET 10 HB1 MET 10 14.749 7.367 0.715
57 HG2 MET 10 HG2 MET 10 14.042 7.234 3.384
58 HG3 MET 10 HG1 MET 10 15.632 6.470 3.368
59 HE1 MET 10 HE1 MET 10 18.138 8.678 2.524
60 HE2 MET 10 HE2 MET 10 17.482 7.195 3.211
61 HE3 MET 10 HE3 MET 10 17.597 8.643 4.208
62 HA PRO 11 HA PRO 11 12.081 7.516 -2.249
63 HB2 PRO 11 HB2 PRO 11 13.290 6.165 -4.256
64 HB3 PRO 11 HB1 PRO 11 14.131 7.425 -3.331
65 HG2 PRO 11 HG2 PRO 11 14.317 4.466 -3.103
66 HG3 PRO 11 HG1 PRO 11 15.593 5.687 -2.981
67 HD2 PRO 11 HD2 PRO 11 14.396 4.480 -0.791
68 HD3 PRO 11 HD1 PRO 11 15.198 6.064 -0.746
69 HA PRO 12 HA PRO 12 8.736 4.489 -2.398
70 HB2 PRO 12 HB2 PRO 12 7.872 6.340 -4.575
71 HB3 PRO 12 HB1 PRO 12 6.955 5.729 -3.187
72 HG2 PRO 12 HG2 PRO 12 7.904 8.231 -3.282
73 HG3 PRO 12 HG1 PRO 12 7.779 7.319 -1.770
74 HD2 PRO 12 HD2 PRO 12 10.205 8.037 -3.331
75 HD3 PRO 12 HD1 PRO 12 10.037 7.695 -1.594
76 H DAL 13 HN DAL 13 10.242 2.913 -3.296
77 HA DAL 13 HA DAL 13 9.953 2.619 -6.220
78 HB1 DAL 13 HB2 DAL 13 10.847 0.189 -5.078
79 HB2 DAL 13 HB3 DAL 13 9.553 0.783 -4.036
80 H TYR 14 HN TYR 14 12.188 2.161 -3.511
81 HA TYR 14 HA TYR 14 14.417 3.260 -4.803
82 HB2 TYR 14 HB2 TYR 14 14.202 2.852 -2.330
83 HB3 TYR 14 HB1 TYR 14 14.443 1.137 -2.645
84 HD1 TYR 14 HD1 TYR 14 16.086 4.104 -1.792
85 HD2 TYR 14 HD2 TYR 14 16.520 0.624 -4.266
86 HE1 TYR 14 HE1 TYR 14 18.542 4.449 -1.838
87 HE2 TYR 14 HE2 TYR 14 18.981 0.964 -4.313
88 HH TYR 14 HH TYR 14 20.673 2.254 -3.673
89 H TRP 15 HN TRP 15 13.387 -0.089 -4.395
90 HA TRP 15 HA TRP 15 15.500 -1.024 -6.200
91 HB2 TRP 15 HB2 TRP 15 13.548 -2.931 -5.040
92 HB3 TRP 15 HB1 TRP 15 15.304 -3.051 -5.165
93 HD1 TRP 15 HD1 TRP 15 16.753 -2.109 -3.180
94 HE1 TRP 15 HE1 TRP 15 16.159 -1.274 -0.811
95 HE3 TRP 15 HE3 TRP 15 11.692 -1.654 -3.649
96 HZ2 TRP 15 HZ2 TRP 15 13.840 -0.516 0.681
97 HZ3 TRP 15 HZ3 TRP 15 10.319 -0.870 -1.744
98 HH2 TRP 15 HH2 TRP 15 11.384 -0.308 0.419
99 H GLU 16 HN GLU 16 12.588 0.305 -6.591
100 HA GLU 16 HA GLU 16 10.831 0.092 -8.072
101 HB2 GLU 16 HB2 GLU 16 11.548 -0.097 -10.376
102 HB3 GLU 16 HB1 GLU 16 12.747 0.841 -9.485
103 HG2 GLU 16 HG2 GLU 16 14.155 -1.158 -9.245
104 HG3 GLU 16 HG1 GLU 16 12.950 -2.123 -10.098
105 H GLY 17 HN GLY 17 11.341 -2.260 -6.426
106 HA2 GLY 17 HA2 GLY 17 10.149 -4.294 -8.210
107 HA3 GLY 17 HA1 GLY 17 11.403 -4.723 -7.051
108 H GLU 18 HN GLU 18 10.707 -3.385 -4.808
109 HA GLU 18 HA GLU 18 8.605 -4.963 -3.745
110 HB2 GLU 18 HB2 GLU 18 9.998 -2.505 -2.667
111 HB3 GLU 18 HB1 GLU 18 8.874 -3.494 -1.737
112 HG2 GLU 18 HG2 GLU 18 11.410 -4.521 -3.039
113 HG3 GLU 18 HG1 GLU 18 11.243 -4.131 -1.328
114 H CYS 19 HN CYS 19 8.786 -1.628 -4.888
115 HA CYS 19 HA CYS 19 6.114 -0.954 -4.065
116 HB2 CYS 19 HB2 CYS 19 6.543 1.020 -5.662
117 HB3 CYS 19 HB1 CYS 19 7.580 0.885 -4.243
Start of MODEL 19
1 H1 ALA 1 HT1 ALA 1 17.703 -1.932 6.524
2 H2 ALA 1 HT2 ALA 1 17.239 -3.054 7.712
3 H3 ALA 1 HT3 ALA 1 18.234 -1.740 8.124
4 HA ALA 1 HA ALA 1 15.358 -1.861 7.785
5 HB1 ALA 1 HB1 ALA 1 16.000 -1.344 9.958
6 HB2 ALA 1 HB2 ALA 1 15.790 0.274 9.290
7 HB3 ALA 1 HB3 ALA 1 17.406 -0.417 9.431
8 H ALA 2 HN ALA 2 18.074 -0.193 6.427
9 HA ALA 2 HA ALA 2 16.524 2.067 5.469
10 HB1 ALA 2 HB1 ALA 2 18.952 2.227 6.107
11 HB2 ALA 2 HB2 ALA 2 18.583 2.835 4.492
12 HB3 ALA 2 HB3 ALA 2 19.328 1.248 4.688
13 H CYS 3 HN CYS 3 16.901 2.599 3.035
14 HA CYS 3 HA CYS 3 15.402 0.827 1.490
15 HB2 CYS 3 HB2 CYS 3 16.687 3.339 1.119
16 HB3 CYS 3 HB1 CYS 3 17.141 2.299 -0.230
17 H HIS 4 HN HIS 4 18.827 0.959 2.114
18 HA HIS 4 HA HIS 4 19.760 -0.621 -0.015
19 HB2 HIS 4 HB2 HIS 4 20.799 -0.295 2.808
20 HB3 HIS 4 HB1 HIS 4 21.674 -1.134 1.526
21 HD2 HIS 4 HD2 HIS 4 21.256 2.435 2.823
22 HE1 HIS 4 HE1 HIS 4 22.769 2.802 -1.102
23 HE2 HIS 4 HE2 HIS 4 22.296 4.052 1.057
24 H ASN 5 HN ASN 5 18.194 -1.439 3.012
25 HA ASN 5 HA ASN 5 18.437 -4.307 2.316
26 HB2 ASN 5 HB2 ASN 5 19.420 -3.531 4.521
27 HB3 ASN 5 HB1 ASN 5 17.772 -3.178 5.036
28 HD21 ASN 5 HD21 ASN 5 17.886 -4.900 6.679
29 HD22 ASN 5 HD22 ASN 5 17.802 -6.533 6.225
30 H HIS 6 HN HIS 6 16.206 -2.530 4.434
31 HA HIS 6 HA HIS 6 13.960 -3.346 2.714
32 HB2 HIS 6 HB2 HIS 6 14.150 -3.831 5.696
33 HB3 HIS 6 HB1 HIS 6 12.688 -4.045 4.732
34 HD2 HIS 6 HD2 HIS 6 15.831 -6.041 5.676
35 HE1 HIS 6 HE1 HIS 6 14.058 -8.082 2.434
36 HE2 HIS 6 HE2 HIS 6 15.825 -8.230 4.252
37 H ALA 7 HN ALA 7 12.150 -2.010 2.821
38 HA ALA 7 HA ALA 7 12.460 0.681 3.089
39 HB1 ALA 7 HB1 ALA 7 10.350 0.567 2.350
40 HB2 ALA 7 HB2 ALA 7 9.824 0.162 3.983
41 HB3 ALA 7 HB3 ALA 7 10.240 -1.121 2.848
42 HA PRO 8 HA PRO 8 10.099 2.033 3.986
43 HB2 PRO 8 HB2 PRO 8 11.304 4.440 5.218
44 HB3 PRO 8 HB1 PRO 8 9.597 4.023 4.993
45 HG2 PRO 8 HG2 PRO 8 10.786 3.970 7.396
46 HG3 PRO 8 HG1 PRO 8 9.483 2.856 6.949
47 HD2 PRO 8 HD2 PRO 8 12.419 2.327 7.163
48 HD3 PRO 8 HD1 PRO 8 11.046 1.251 7.493
49 H DAL 9 HN DAL 9 10.616 2.805 2.023
50 HA DAL 9 HA DAL 9 12.121 2.811 0.202
51 HB1 DAL 9 HB2 DAL 9 14.372 3.741 1.943
52 HB2 DAL 9 HB3 DAL 9 13.914 2.038 1.975
53 H MET 10 HN MET 10 14.138 4.803 -0.104
54 HA MET 10 HA MET 10 12.833 7.333 0.573
55 HB2 MET 10 HB2 MET 10 15.548 6.469 -0.072
56 HB3 MET 10 HB1 MET 10 15.070 7.922 -0.951
57 HG2 MET 10 HG2 MET 10 14.097 8.332 1.637
58 HG3 MET 10 HG1 MET 10 15.684 7.603 1.878
59 HE1 MET 10 HE1 MET 10 17.809 8.645 -0.105
60 HE2 MET 10 HE2 MET 10 17.673 8.439 1.640
61 HE3 MET 10 HE3 MET 10 18.217 9.980 0.982
62 HA PRO 11 HA PRO 11 12.821 7.659 -4.174
63 HB2 PRO 11 HB2 PRO 11 13.911 5.676 -5.676
64 HB3 PRO 11 HB1 PRO 11 14.872 7.005 -4.999
65 HG2 PRO 11 HG2 PRO 11 14.601 4.200 -4.071
66 HG3 PRO 11 HG1 PRO 11 16.019 5.261 -4.066
67 HD2 PRO 11 HD2 PRO 11 14.449 4.742 -1.835
68 HD3 PRO 11 HD1 PRO 11 15.487 6.171 -2.027
69 HA PRO 12 HA PRO 12 8.945 5.526 -4.511
70 HB2 PRO 12 HB2 PRO 12 9.283 6.061 -7.427
71 HB3 PRO 12 HB1 PRO 12 7.917 6.440 -6.362
72 HG2 PRO 12 HG2 PRO 12 9.667 8.304 -7.198
73 HG3 PRO 12 HG1 PRO 12 8.849 8.385 -5.630
74 HD2 PRO 12 HD2 PRO 12 11.689 7.795 -6.225
75 HD3 PRO 12 HD1 PRO 12 10.951 8.391 -4.723
76 H DAL 13 HN DAL 13 9.874 3.468 -3.990
77 HA DAL 13 HA DAL 13 9.828 1.599 -6.202
78 HB1 DAL 13 HB2 DAL 13 9.897 -0.107 -4.518
79 HB2 DAL 13 HB3 DAL 13 10.484 1.026 -3.305
80 H TYR 14 HN TYR 14 12.136 2.238 -3.565
81 HA TYR 14 HA TYR 14 14.418 2.600 -5.128
82 HB2 TYR 14 HB2 TYR 14 14.297 3.089 -2.696
83 HB3 TYR 14 HB1 TYR 14 14.227 1.361 -2.371
84 HD1 TYR 14 HD1 TYR 14 16.280 3.468 -4.697
85 HD2 TYR 14 HD2 TYR 14 16.244 0.576 -1.527
86 HE1 TYR 14 HE1 TYR 14 18.746 3.357 -4.780
87 HE2 TYR 14 HE2 TYR 14 18.716 0.453 -1.612
88 HH TYR 14 HH TYR 14 20.600 1.774 -2.348
89 H TRP 15 HN TRP 15 13.190 -0.322 -3.570
90 HA TRP 15 HA TRP 15 15.186 -2.007 -4.834
91 HB2 TRP 15 HB2 TRP 15 12.872 -3.234 -3.448
92 HB3 TRP 15 HB1 TRP 15 14.597 -3.564 -3.277
93 HD1 TRP 15 HD1 TRP 15 15.919 -2.272 -1.433
94 HE1 TRP 15 HE1 TRP 15 15.221 -0.666 0.457
95 HE3 TRP 15 HE3 TRP 15 11.114 -1.294 -2.843
96 HZ2 TRP 15 HZ2 TRP 15 12.926 0.844 1.254
97 HZ3 TRP 15 HZ3 TRP 15 9.701 0.241 -1.509
98 HH2 TRP 15 HH2 TRP 15 10.598 1.310 0.538
99 H GLU 16 HN GLU 16 12.585 -0.530 -6.013
100 HA GLU 16 HA GLU 16 10.973 -0.973 -7.602
101 HB2 GLU 16 HB2 GLU 16 11.848 -2.001 -9.606
102 HB3 GLU 16 HB1 GLU 16 13.119 -1.012 -8.889
103 HG2 GLU 16 HG2 GLU 16 14.126 -2.992 -7.867
104 HG3 GLU 16 HG1 GLU 16 12.824 -4.004 -8.493
105 H GLY 17 HN GLY 17 11.288 -2.907 -5.255
106 HA2 GLY 17 HA2 GLY 17 9.861 -5.205 -6.458
107 HA3 GLY 17 HA1 GLY 17 10.841 -5.303 -4.999
108 H GLU 18 HN GLU 18 10.062 -3.243 -3.491
109 HA GLU 18 HA GLU 18 7.577 -4.092 -2.423
110 HB2 GLU 18 HB2 GLU 18 9.222 -1.604 -1.913
111 HB3 GLU 18 HB1 GLU 18 7.824 -2.086 -0.953
112 HG2 GLU 18 HG2 GLU 18 10.290 -3.795 -1.379
113 HG3 GLU 18 HG1 GLU 18 9.976 -2.828 0.061
114 H CYS 19 HN CYS 19 8.525 -1.375 -4.473
115 HA CYS 19 HA CYS 19 5.776 -0.373 -4.533
116 HB2 CYS 19 HB2 CYS 19 8.143 0.720 -6.052
117 HB3 CYS 19 HB1 CYS 19 6.657 1.557 -5.599
Start of MODEL 20
1 H1 ALA 1 HT1 ALA 1 17.356 -3.640 0.217
2 H2 ALA 1 HT2 ALA 1 16.142 -2.465 0.389
3 H3 ALA 1 HT3 ALA 1 15.902 -4.035 0.994
4 HA ALA 1 HA ALA 1 16.442 -2.344 2.720
5 HB1 ALA 1 HB1 ALA 1 16.952 -4.309 3.718
6 HB2 ALA 1 HB2 ALA 1 18.629 -3.941 3.318
7 HB3 ALA 1 HB3 ALA 1 17.670 -4.959 2.244
8 H ALA 2 HN ALA 2 17.527 -1.245 0.224
9 HA ALA 2 HA ALA 2 20.318 -0.814 0.411
10 HB1 ALA 2 HB1 ALA 2 19.915 1.068 -1.130
11 HB2 ALA 2 HB2 ALA 2 18.180 0.924 -0.847
12 HB3 ALA 2 HB3 ALA 2 19.054 -0.382 -1.648
13 H CYS 3 HN CYS 3 17.533 0.951 1.688
14 HA CYS 3 HA CYS 3 19.223 2.996 2.881
15 HB2 CYS 3 HB2 CYS 3 16.483 2.977 3.824
16 HB3 CYS 3 HB1 CYS 3 17.345 4.213 2.912
17 H HIS 4 HN HIS 4 17.719 0.006 3.772
18 HA HIS 4 HA HIS 4 18.112 -1.285 5.662
19 HB2 HIS 4 HB2 HIS 4 19.390 1.157 6.907
20 HB3 HIS 4 HB1 HIS 4 19.567 -0.522 7.406
21 HD2 HIS 4 HD2 HIS 4 21.013 1.916 4.714
22 HE1 HIS 4 HE1 HIS 4 22.871 -1.837 4.177
23 HE2 HIS 4 HE2 HIS 4 22.900 0.603 3.475
24 H ASN 5 HN ASN 5 15.804 -1.240 5.848
25 HA ASN 5 HA ASN 5 14.735 -0.682 8.286
26 HB2 ASN 5 HB2 ASN 5 15.007 1.770 6.686
27 HB3 ASN 5 HB1 ASN 5 13.397 1.512 7.355
28 HD21 ASN 5 HD21 ASN 5 15.655 3.443 8.165
29 HD22 ASN 5 HD22 ASN 5 15.851 3.164 9.828
30 H HIS 6 HN HIS 6 12.192 0.017 7.988
31 HA HIS 6 HA HIS 6 11.082 -2.128 6.445
32 HB2 HIS 6 HB2 HIS 6 9.954 -1.567 8.470
33 HB3 HIS 6 HB1 HIS 6 9.847 0.134 8.022
34 HD2 HIS 6 HD2 HIS 6 7.571 0.784 6.556
35 HE1 HIS 6 HE1 HIS 6 6.272 -3.155 5.767
36 HE2 HIS 6 HE2 HIS 6 5.673 -0.697 5.545
37 H ALA 7 HN ALA 7 10.459 -2.113 4.390
38 HA ALA 7 HA ALA 7 9.007 -0.377 2.946
39 HB1 ALA 7 HB1 ALA 7 11.593 0.830 3.530
40 HB2 ALA 7 HB2 ALA 7 10.139 1.562 2.857
41 HB3 ALA 7 HB3 ALA 7 11.269 0.722 1.804
42 HA PRO 8 HA PRO 8 12.146 -1.913 3.964
43 HB2 PRO 8 HB2 PRO 8 14.619 -2.562 3.056
44 HB3 PRO 8 HB1 PRO 8 13.404 -3.757 3.544
45 HG2 PRO 8 HG2 PRO 8 14.279 -2.943 0.843
46 HG3 PRO 8 HG1 PRO 8 13.674 -4.501 1.419
47 HD2 PRO 8 HD2 PRO 8 12.182 -2.645 -0.036
48 HD3 PRO 8 HD1 PRO 8 11.505 -3.971 0.927
49 H DAL 9 HN DAL 9 12.829 -0.510 0.874
50 HA DAL 9 HA DAL 9 14.281 1.241 0.284
51 HB1 DAL 9 HB2 DAL 9 14.519 2.177 3.108
52 HB2 DAL 9 HB3 DAL 9 15.417 0.742 2.613
53 H MET 10 HN MET 10 14.033 3.624 2.256
54 HA MET 10 HA MET 10 11.362 4.401 2.484
55 HB2 MET 10 HB2 MET 10 13.619 6.321 1.917
56 HB3 MET 10 HB1 MET 10 12.172 6.592 2.885
57 HG2 MET 10 HG2 MET 10 13.044 5.549 4.719
58 HG3 MET 10 HG1 MET 10 13.865 4.324 3.759
59 HE1 MET 10 HE1 MET 10 15.552 4.938 2.065
60 HE2 MET 10 HE2 MET 10 16.950 5.956 2.395
61 HE3 MET 10 HE3 MET 10 15.510 6.659 1.666
62 HA PRO 11 HA PRO 11 12.232 6.568 -1.902
63 HB2 PRO 11 HB2 PRO 11 13.641 4.181 -3.005
64 HB3 PRO 11 HB1 PRO 11 13.910 5.905 -3.338
65 HG2 PRO 11 HG2 PRO 11 15.568 4.500 -1.795
66 HG3 PRO 11 HG1 PRO 11 15.200 6.202 -1.471
67 HD2 PRO 11 HD2 PRO 11 14.281 3.775 -0.013
68 HD3 PRO 11 HD1 PRO 11 14.532 5.425 0.581
69 HA PRO 12 HA PRO 12 8.532 4.008 -2.452
70 HB2 PRO 12 HB2 PRO 12 7.813 6.289 -4.206
71 HB3 PRO 12 HB1 PRO 12 6.917 5.587 -2.846
72 HG2 PRO 12 HG2 PRO 12 8.129 7.945 -2.621
73 HG3 PRO 12 HG1 PRO 12 8.083 6.794 -1.274
74 HD2 PRO 12 HD2 PRO 12 10.354 7.420 -3.139
75 HD3 PRO 12 HD1 PRO 12 10.389 7.089 -1.389
76 H DAL 13 HN DAL 13 9.796 2.459 -3.707
77 HA DAL 13 HA DAL 13 8.913 2.268 -6.409
78 HB1 DAL 13 HB2 DAL 13 11.156 0.546 -5.810
79 HB2 DAL 13 HB3 DAL 13 9.979 0.526 -4.497
80 H TYR 14 HN TYR 14 11.765 3.581 -4.928
81 HA TYR 14 HA TYR 14 12.680 4.874 -7.236
82 HB2 TYR 14 HB2 TYR 14 13.452 5.600 -5.087
83 HB3 TYR 14 HB1 TYR 14 14.129 4.009 -4.734
84 HD1 TYR 14 HD1 TYR 14 14.287 6.062 -7.846
85 HD2 TYR 14 HD2 TYR 14 16.454 4.295 -4.588
86 HE1 TYR 14 HE1 TYR 14 16.425 6.742 -8.899
87 HE2 TYR 14 HE2 TYR 14 18.591 4.972 -5.635
88 HH TYR 14 HH TYR 14 18.681 6.399 -8.866
89 H TRP 15 HN TRP 15 13.742 1.828 -5.768
90 HA TRP 15 HA TRP 15 15.628 1.230 -7.854
91 HB2 TRP 15 HB2 TRP 15 14.522 -0.907 -6.086
92 HB3 TRP 15 HB1 TRP 15 16.186 -0.617 -6.595
93 HD1 TRP 15 HD1 TRP 15 17.686 0.856 -5.075
94 HE1 TRP 15 HE1 TRP 15 17.327 2.043 -2.810
95 HE3 TRP 15 HE3 TRP 15 12.629 0.347 -4.604
96 HZ2 TRP 15 HZ2 TRP 15 15.168 2.684 -1.044
97 HZ3 TRP 15 HZ3 TRP 15 11.452 1.254 -2.624
98 HH2 TRP 15 HH2 TRP 15 12.719 2.423 -0.847
99 H GLU 16 HN GLU 16 12.259 0.612 -7.210
100 HA GLU 16 HA GLU 16 10.619 -0.050 -8.719
101 HB2 GLU 16 HB2 GLU 16 11.098 -0.253 -10.935
102 HB3 GLU 16 HB1 GLU 16 12.645 0.444 -10.453
103 HG2 GLU 16 HG2 GLU 16 13.284 -2.072 -9.976
104 HG3 GLU 16 HG1 GLU 16 11.965 -2.410 -11.091
105 H GLY 17 HN GLY 17 12.142 -1.613 -6.641
106 HA2 GLY 17 HA2 GLY 17 11.145 -4.274 -7.449
107 HA3 GLY 17 HA1 GLY 17 12.743 -4.103 -6.729
108 H GLU 18 HN GLU 18 12.096 -2.083 -4.827
109 HA GLU 18 HA GLU 18 11.007 -3.731 -2.746
110 HB2 GLU 18 HB2 GLU 18 11.893 -0.847 -2.822
111 HB3 GLU 18 HB1 GLU 18 11.339 -1.655 -1.361
112 HG2 GLU 18 HG2 GLU 18 13.121 -3.315 -1.565
113 HG3 GLU 18 HG1 GLU 18 13.643 -2.600 -3.089
114 H CYS 19 HN CYS 19 9.613 -1.818 -5.099
115 HA CYS 19 HA CYS 19 7.346 -0.947 -3.470
116 HB2 CYS 19 HB2 CYS 19 6.690 -0.323 -6.052
117 HB3 CYS 19 HB1 CYS 19 7.572 0.747 -4.959