Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
573129 | 2md6 RC | 19476 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 H1 GLU 1 16.774 25.266 20.095
2 H2 GLU 1 H2 GLU 1 15.436 24.867 19.160
3 H3 GLU 1 H3 GLU 1 16.075 26.411 19.103
4 HA GLU 1 HA GLU 1 17.674 25.864 17.685
5 HB2 GLU 1 HB3 GLU 1 17.909 23.308 19.420
6 HB3 GLU 1 HB2 GLU 1 18.963 23.543 18.040
7 HG2 GLU 1 HG3 GLU 1 20.289 24.235 19.786
8 HG3 GLU 1 HG2 GLU 1 19.754 25.771 19.031
9 H GLY 2 H GLY 2 18.275 23.494 16.294
10 HA2 GLY 2 HA3 GLY 2 15.593 23.175 14.977
11 HA3 GLY 2 HA2 GLY 2 16.921 23.499 14.007
12 H CYS 3 H CYS 3 18.220 21.226 16.122
13 HA CYS 3 HA CYS 3 16.716 19.051 14.674
14 HB2 CYS 3 HB3 CYS 3 19.791 18.997 14.898
15 HB3 CYS 3 HB2 CYS 3 18.819 17.611 14.655
16 H CYS 4 H CYS 4 17.172 20.253 17.557
17 HA CYS 4 HA CYS 4 17.416 17.615 18.789
18 HB2 CYS 4 HB3 CYS 4 17.504 20.388 20.093
19 HB3 CYS 4 HB2 CYS 4 17.034 19.033 21.059
20 H SER 5 H SER 5 15.455 16.945 17.694
21 HA SER 5 HA SER 5 13.493 16.650 19.588
22 HB2 SER 5 HB3 SER 5 11.462 17.680 18.474
23 HB3 SER 5 HB2 SER 5 12.604 18.915 19.041
24 HG SER 5 HG SER 5 11.863 19.313 17.012
25 H ASN 6 H ASN 6 13.698 16.794 16.092
26 HA ASN 6 HA ASN 6 12.542 14.275 15.764
27 HB2 ASN 6 HB3 ASN 6 14.435 15.897 13.838
28 HB3 ASN 6 HB2 ASN 6 13.766 14.428 13.279
29 HD21 ASN 6 HD21 ASN 6 13.166 17.713 13.437
30 HD22 ASN 6 HD22 ASN 6 11.431 17.687 13.273
31 HA PRO 7 HA PRO 7 16.076 12.707 17.654
32 HB2 PRO 7 HB3 PRO 7 15.834 9.920 17.642
33 HB3 PRO 7 HB2 PRO 7 14.903 11.064 18.674
34 HG2 PRO 7 HG3 PRO 7 14.043 9.939 15.939
35 HG3 PRO 7 HG2 PRO 7 13.118 9.899 17.504
36 HD2 PRO 7 HD3 PRO 7 12.596 11.832 15.759
37 HD3 PRO 7 HD2 PRO 7 12.878 12.307 17.505
38 H ALA 8 H ALA 8 15.882 12.438 14.446
39 HA ALA 8 HA ALA 8 18.135 10.578 14.057
40 HB1 ALA 8 HB1 ALA 8 15.946 11.344 12.058
41 HB2 ALA 8 HB2 ALA 8 16.064 9.820 13.011
42 HB3 ALA 8 HB3 ALA 8 17.309 10.192 11.774
43 H CYS 9 H CYS 9 17.103 13.911 13.370
44 HA CYS 9 HA CYS 9 19.538 14.378 11.892
45 HB2 CYS 9 HB3 CYS 9 17.756 15.860 11.305
46 HB3 CYS 9 HB2 CYS 9 17.577 16.453 12.980
47 H ARG 10 H ARG 10 18.358 14.442 15.118
48 HA ARG 10 HA ARG 10 20.515 15.846 16.276
49 HB2 ARG 10 HB3 ARG 10 18.098 14.996 17.518
50 HB3 ARG 10 HB2 ARG 10 18.991 13.534 17.733
51 HG2 ARG 10 HG3 ARG 10 20.773 14.693 18.978
52 HG3 ARG 10 HG2 ARG 10 19.997 16.273 18.704
53 HD2 ARG 10 HD3 ARG 10 18.285 15.884 20.266
54 HD3 ARG 10 HD2 ARG 10 18.346 14.103 20.092
55 HE ARG 10 HE ARG 10 20.480 15.779 21.499
56 HH11 ARG 10 HH21 ARG 10 19.038 12.520 20.984
57 HH12 ARG 10 HH22 ARG 10 20.066 11.818 22.188
58 HH21 ARG 10 HH11 ARG 10 21.832 14.834 22.736
59 HH22 ARG 10 HH12 ARG 10 21.840 13.120 23.114
60 H THR 11 H THR 11 19.953 12.350 16.167
61 HA THR 11 HA THR 11 22.326 11.657 17.435
62 HB THR 11 HB THR 11 20.200 10.389 17.065
63 HG1 THR 11 HG1 THR 11 21.248 8.496 17.304
64 HG21 THR 11 HG21 THR 11 21.661 9.347 14.539
65 HG22 THR 11 HG22 THR 11 20.247 10.467 14.506
66 HG23 THR 11 HG23 THR 11 20.084 8.809 15.192
67 H ASN 12 H ASN 12 22.158 13.067 14.664
68 HA ASN 12 HA ASN 12 24.264 11.486 13.299
69 HB2 ASN 12 HB3 ASN 12 22.166 12.388 11.825
70 HB3 ASN 12 HB2 ASN 12 22.923 13.979 11.983
71 HD21 ASN 12 HD21 ASN 12 23.678 10.591 11.015
72 HD22 ASN 12 HD22 ASN 12 24.721 11.077 9.695
73 H HIS 13 H HIS 13 23.876 14.263 15.319
74 HA HIS 13 HA HIS 13 26.500 15.133 14.997
75 HB2 HIS 13 HB3 HIS 13 26.202 16.742 13.071
76 HB3 HIS 13 HB2 HIS 13 24.921 15.579 12.672
77 HD1 HIS 13 HD1 HIS 13 25.474 18.822 12.787
78 HD2 HIS 13 HD2 HIS 13 22.347 16.532 14.389
79 HE1 HIS 13 HE1 HIS 13 23.727 20.402 13.622
80 HE2 HIS 13 HE2 HIS 13 21.754 19.097 14.267
81 HA PRO 14 HA PRO 14 23.198 16.630 17.539
82 HB2 PRO 14 HB3 PRO 14 23.576 15.732 20.186
83 HB3 PRO 14 HB2 PRO 14 22.960 14.682 18.869
84 HG2 PRO 14 HG3 PRO 14 25.896 14.973 19.744
85 HG3 PRO 14 HG2 PRO 14 24.923 13.443 19.586
86 HD2 PRO 14 HD3 PRO 14 26.521 14.266 17.542
87 HD3 PRO 14 HD2 PRO 14 24.840 13.639 17.198
88 H GLU 15 H GLU 15 26.425 17.388 18.049
89 HA GLU 15 HA GLU 15 26.169 18.983 20.388
90 HB2 GLU 15 HB3 GLU 15 28.309 17.871 19.744
91 HB3 GLU 15 HB2 GLU 15 28.458 18.995 18.366
92 HG2 GLU 15 HG3 GLU 15 29.912 19.685 20.118
93 HG3 GLU 15 HG2 GLU 15 28.625 20.923 19.943
94 H VAL 16 H VAL 16 25.217 19.576 17.182
95 HA VAL 16 HA VAL 16 25.499 22.433 17.407
96 HB VAL 16 HB VAL 16 24.050 20.925 15.268
97 HG11 VAL 16 HG11 VAL 16 23.831 23.426 15.158
98 HG12 VAL 16 HG12 VAL 16 24.958 22.862 13.886
99 HG13 VAL 16 HG13 VAL 16 25.617 23.593 15.386
100 HG21 VAL 16 HG21 VAL 16 26.299 20.975 14.048
101 HG22 VAL 16 HG22 VAL 16 26.265 19.813 15.411
102 HG23 VAL 16 HG23 VAL 16 27.082 21.415 15.603
103 H CYS 17 H CYS 17 23.518 20.326 18.919
104 HA CYS 17 HA CYS 17 21.909 22.562 19.384
105 HB2 CYS 17 HB3 CYS 17 19.584 21.191 19.015
106 HB3 CYS 17 HB2 CYS 17 20.579 20.921 17.571
107 H ASP 18 H ASP 18 22.282 19.323 20.792
108 HA ASP 18 HA ASP 18 21.251 20.309 23.091
109 HB2 ASP 18 HB3 ASP 18 23.635 18.235 22.914
110 HB3 ASP 18 HB2 ASP 18 22.777 18.408 24.374
Start of MODEL 2
1 H1 GLU 1 H1 GLU 1 17.837 24.950 17.096
2 H2 GLU 1 H2 GLU 1 18.702 25.760 15.895
3 H3 GLU 1 H3 GLU 1 18.426 24.123 15.722
4 HA GLU 1 HA GLU 1 16.339 26.183 15.862
5 HB2 GLU 1 HB3 GLU 1 17.592 24.736 13.416
6 HB3 GLU 1 HB2 GLU 1 16.119 25.681 13.281
7 HG2 GLU 1 HG3 GLU 1 17.672 27.152 12.519
8 HG3 GLU 1 HG2 GLU 1 17.556 27.700 14.219
9 H GLY 2 H GLY 2 16.561 23.188 14.043
10 HA2 GLY 2 HA3 GLY 2 14.032 22.345 15.461
11 HA3 GLY 2 HA2 GLY 2 14.128 22.119 13.803
12 H CYS 3 H CYS 3 17.220 21.480 15.118
13 HA CYS 3 HA CYS 3 16.478 18.590 14.807
14 HB2 CYS 3 HB3 CYS 3 19.434 19.485 15.262
15 HB3 CYS 3 HB2 CYS 3 18.906 17.985 14.788
16 H CYS 4 H CYS 4 16.747 20.654 17.371
17 HA CYS 4 HA CYS 4 18.149 18.730 18.939
18 HB2 CYS 4 HB3 CYS 4 16.694 21.341 19.876
19 HB3 CYS 4 HB2 CYS 4 17.952 20.606 20.799
20 H SER 5 H SER 5 16.001 17.440 18.262
21 HA SER 5 HA SER 5 14.441 16.970 20.510
22 HB2 SER 5 HB3 SER 5 12.200 17.928 19.802
23 HB3 SER 5 HB2 SER 5 13.390 19.208 20.108
24 HG SER 5 HG SER 5 12.376 19.632 18.202
25 H ASN 6 H ASN 6 14.005 17.185 17.029
26 HA ASN 6 HA ASN 6 12.887 14.722 16.704
27 HB2 ASN 6 HB3 ASN 6 14.699 16.365 14.721
28 HB3 ASN 6 HB2 ASN 6 13.934 14.932 14.152
29 HD21 ASN 6 HD21 ASN 6 13.497 17.912 13.655
30 HD22 ASN 6 HD22 ASN 6 11.768 18.120 13.835
31 HA PRO 7 HA PRO 7 16.457 12.660 18.005
32 HB2 PRO 7 HB3 PRO 7 15.351 10.232 16.457
33 HB3 PRO 7 HB2 PRO 7 16.266 10.213 18.029
34 HG2 PRO 7 HG3 PRO 7 13.534 10.207 18.075
35 HG3 PRO 7 HG2 PRO 7 14.426 11.360 19.166
36 HD2 PRO 7 HD3 PRO 7 13.038 11.937 16.536
37 HD3 PRO 7 HD2 PRO 7 13.158 12.898 18.097
38 H ALA 8 H ALA 8 15.844 12.788 14.737
39 HA ALA 8 HA ALA 8 17.979 11.015 13.848
40 HB1 ALA 8 HB1 ALA 8 16.859 10.996 11.665
41 HB2 ALA 8 HB2 ALA 8 15.656 12.218 12.225
42 HB3 ALA 8 HB3 ALA 8 15.725 10.598 12.990
43 H CYS 9 H CYS 9 17.209 14.456 13.719
44 HA CYS 9 HA CYS 9 19.620 14.872 12.105
45 HB2 CYS 9 HB3 CYS 9 17.884 16.347 11.446
46 HB3 CYS 9 HB2 CYS 9 17.609 16.924 13.099
47 H ARG 10 H ARG 10 18.428 15.144 15.412
48 HA ARG 10 HA ARG 10 20.700 16.127 16.553
49 HB2 ARG 10 HB3 ARG 10 18.360 15.217 17.881
50 HB3 ARG 10 HB2 ARG 10 19.154 13.682 17.731
51 HG2 ARG 10 HG3 ARG 10 21.195 14.915 18.957
52 HG3 ARG 10 HG2 ARG 10 19.923 16.095 19.382
53 HD2 ARG 10 HD3 ARG 10 18.582 14.283 20.463
54 HD3 ARG 10 HD2 ARG 10 19.810 13.053 19.950
55 HE ARG 10 HE ARG 10 21.199 15.180 21.347
56 HH11 ARG 10 HH21 ARG 10 18.652 12.802 22.291
57 HH12 ARG 10 HH22 ARG 10 19.342 12.659 23.878
58 HH21 ARG 10 HH11 ARG 10 21.628 15.211 23.452
59 HH22 ARG 10 HH12 ARG 10 20.731 14.286 24.558
60 H THR 11 H THR 11 20.109 12.611 16.222
61 HA THR 11 HA THR 11 22.502 11.845 17.246
62 HB THR 11 HB THR 11 20.466 10.556 16.865
63 HG1 THR 11 HG1 THR 11 22.570 9.557 17.260
64 HG21 THR 11 HG21 THR 11 20.073 11.169 14.466
65 HG22 THR 11 HG22 THR 11 20.094 9.389 14.718
66 HG23 THR 11 HG23 THR 11 21.513 10.209 13.971
67 H ASN 12 H ASN 12 22.180 13.396 14.479
68 HA ASN 12 HA ASN 12 24.530 12.107 13.214
69 HB2 ASN 12 HB3 ASN 12 22.241 12.420 11.738
70 HB3 ASN 12 HB2 ASN 12 22.768 14.103 11.630
71 HD21 ASN 12 HD21 ASN 12 24.708 10.991 11.576
72 HD22 ASN 12 HD22 ASN 12 25.350 11.305 10.001
73 H HIS 13 H HIS 13 23.701 14.907 14.942
74 HA HIS 13 HA HIS 13 26.402 15.775 14.676
75 HB2 HIS 13 HB3 HIS 13 25.996 17.718 13.105
76 HB3 HIS 13 HB2 HIS 13 24.723 16.614 12.581
77 HD1 HIS 13 HD1 HIS 13 25.337 19.760 14.126
78 HD2 HIS 13 HD2 HIS 13 22.148 17.193 13.416
79 HE1 HIS 13 HE1 HIS 13 23.261 21.009 14.903
80 HE2 HIS 13 HE2 HIS 13 21.320 19.618 14.092
81 HA PRO 14 HA PRO 14 23.428 16.420 17.822
82 HB2 PRO 14 HB3 PRO 14 24.277 15.042 20.140
83 HB3 PRO 14 HB2 PRO 14 23.437 14.279 18.747
84 HG2 PRO 14 HG3 PRO 14 26.480 14.470 19.179
85 HG3 PRO 14 HG2 PRO 14 25.492 12.989 18.834
86 HD2 PRO 14 HD3 PRO 14 26.708 14.233 16.786
87 HD3 PRO 14 HD2 PRO 14 24.964 13.747 16.613
88 H GLU 15 H GLU 15 26.773 16.952 18.391
89 HA GLU 15 HA GLU 15 26.662 18.199 20.862
90 HB2 GLU 15 HB3 GLU 15 28.743 17.340 20.141
91 HB3 GLU 15 HB2 GLU 15 28.829 18.403 18.721
92 HG2 GLU 15 HG3 GLU 15 28.981 20.403 20.200
93 HG3 GLU 15 HG2 GLU 15 28.797 19.361 21.656
94 H VAL 16 H VAL 16 25.726 19.525 17.791
95 HA VAL 16 HA VAL 16 25.940 22.247 18.739
96 HB VAL 16 HB VAL 16 24.749 20.998 16.238
97 HG11 VAL 16 HG11 VAL 16 25.125 23.966 16.990
98 HG12 VAL 16 HG12 VAL 16 23.549 23.134 16.663
99 HG13 VAL 16 HG13 VAL 16 24.752 23.323 15.353
100 HG21 VAL 16 HG21 VAL 16 27.338 22.579 16.869
101 HG22 VAL 16 HG22 VAL 16 26.800 22.080 15.227
102 HG23 VAL 16 HG23 VAL 16 27.259 20.832 16.439
103 H CYS 17 H CYS 17 23.588 19.662 18.862
104 HA CYS 17 HA CYS 17 21.538 21.692 19.314
105 HB2 CYS 17 HB3 CYS 17 21.492 19.676 17.251
106 HB3 CYS 17 HB2 CYS 17 20.257 19.195 18.432
107 H ASP 18 H ASP 18 22.276 18.277 20.580
108 HA ASP 18 HA ASP 18 21.359 19.169 23.018
109 HB2 ASP 18 HB3 ASP 18 19.035 18.700 21.464
110 HB3 ASP 18 HB2 ASP 18 19.601 17.046 21.508
Start of MODEL 3
1 H1 GLU 1 H1 GLU 1 19.477 25.895 16.573
2 H2 GLU 1 H2 GLU 1 19.632 26.549 18.127
3 H3 GLU 1 H3 GLU 1 18.165 26.640 17.337
4 HA GLU 1 HA GLU 1 19.445 24.075 18.010
5 HB2 GLU 1 HB3 GLU 1 17.355 25.796 19.471
6 HB3 GLU 1 HB2 GLU 1 17.530 24.104 19.903
7 HG2 GLU 1 HG3 GLU 1 19.634 24.382 20.939
8 HG3 GLU 1 HG2 GLU 1 20.029 25.877 20.033
9 H GLY 2 H GLY 2 18.751 23.225 16.023
10 HA2 GLY 2 HA3 GLY 2 15.759 23.205 15.661
11 HA3 GLY 2 HA2 GLY 2 16.734 23.456 14.317
12 H CYS 3 H CYS 3 18.287 21.080 16.233
13 HA CYS 3 HA CYS 3 16.612 19.014 14.795
14 HB2 CYS 3 HB3 CYS 3 19.699 18.754 15.012
15 HB3 CYS 3 HB2 CYS 3 18.631 17.491 14.655
16 H CYS 4 H CYS 4 17.106 20.083 17.691
17 HA CYS 4 HA CYS 4 17.214 17.395 18.856
18 HB2 CYS 4 HB3 CYS 4 17.313 20.136 20.273
19 HB3 CYS 4 HB2 CYS 4 16.826 18.735 21.171
20 H SER 5 H SER 5 15.374 16.874 17.646
21 HA SER 5 HA SER 5 13.126 16.864 19.342
22 HB2 SER 5 HB3 SER 5 11.408 17.848 17.795
23 HB3 SER 5 HB2 SER 5 12.595 19.066 18.295
24 HG SER 5 HG SER 5 12.000 18.883 16.030
25 H ASN 6 H ASN 6 13.821 16.436 15.909
26 HA ASN 6 HA ASN 6 12.516 13.921 15.974
27 HB2 ASN 6 HB3 ASN 6 14.261 15.252 13.720
28 HB3 ASN 6 HB2 ASN 6 13.452 13.795 13.380
29 HD21 ASN 6 HD21 ASN 6 10.922 13.847 14.290
30 HD22 ASN 6 HD22 ASN 6 10.115 15.357 14.012
31 HA PRO 7 HA PRO 7 16.110 12.128 17.665
32 HB2 PRO 7 HB3 PRO 7 15.222 9.597 16.188
33 HB3 PRO 7 HB2 PRO 7 16.022 9.716 17.811
34 HG2 PRO 7 HG3 PRO 7 13.297 9.571 17.634
35 HG3 PRO 7 HG2 PRO 7 14.073 10.753 18.794
36 HD2 PRO 7 HD3 PRO 7 12.732 11.244 16.161
37 HD3 PRO 7 HD2 PRO 7 12.906 12.305 17.649
38 H ALA 8 H ALA 8 15.771 12.015 14.306
39 HA ALA 8 HA ALA 8 18.242 10.547 13.841
40 HB1 ALA 8 HB1 ALA 8 17.588 10.232 11.546
41 HB2 ALA 8 HB2 ALA 8 16.148 11.298 11.743
42 HB3 ALA 8 HB3 ALA 8 16.266 9.766 12.663
43 H CYS 9 H CYS 9 17.105 13.877 13.138
44 HA CYS 9 HA CYS 9 19.673 14.445 11.931
45 HB2 CYS 9 HB3 CYS 9 17.844 15.872 11.240
46 HB3 CYS 9 HB2 CYS 9 17.556 16.429 12.912
47 H ARG 10 H ARG 10 18.273 14.336 15.004
48 HA ARG 10 HA ARG 10 20.254 15.849 16.350
49 HB2 ARG 10 HB3 ARG 10 17.734 14.841 17.345
50 HB3 ARG 10 HB2 ARG 10 18.692 13.455 17.666
51 HG2 ARG 10 HG3 ARG 10 20.201 14.825 19.168
52 HG3 ARG 10 HG2 ARG 10 19.181 16.249 18.798
53 HD2 ARG 10 HD3 ARG 10 17.162 15.040 19.725
54 HD3 ARG 10 HD2 ARG 10 18.213 13.602 20.062
55 HE ARG 10 HE ARG 10 19.418 15.871 21.364
56 HH11 ARG 10 HH11 ARG 10 16.641 13.601 21.673
57 HH12 ARG 10 HH12 ARG 10 16.370 14.021 23.314
58 HH21 ARG 10 HH21 ARG 10 18.840 16.499 23.581
59 HH22 ARG 10 HH22 ARG 10 17.515 15.691 24.288
60 H THR 11 H THR 11 19.900 12.290 16.427
61 HA THR 11 HA THR 11 22.207 11.916 17.880
62 HB THR 11 HB THR 11 20.292 10.387 17.440
63 HG1 THR 11 HG1 THR 11 22.073 9.563 18.478
64 HG21 THR 11 HG21 THR 11 21.876 9.620 14.890
65 HG22 THR 11 HG22 THR 11 20.295 10.494 14.925
66 HG23 THR 11 HG23 THR 11 20.427 8.812 15.546
67 H ASN 12 H ASN 12 22.073 13.026 14.911
68 HA ASN 12 HA ASN 12 24.537 11.671 13.994
69 HB2 ASN 12 HB3 ASN 12 22.221 12.816 12.243
70 HB3 ASN 12 HB2 ASN 12 23.794 12.528 11.531
71 HD21 ASN 12 HD21 ASN 12 20.848 11.013 12.202
72 HD22 ASN 12 HD22 ASN 12 21.381 9.371 11.982
73 H HIS 13 H HIS 13 23.403 14.716 15.056
74 HA HIS 13 HA HIS 13 26.042 15.587 14.776
75 HB2 HIS 13 HB3 HIS 13 25.782 17.225 12.872
76 HB3 HIS 13 HB2 HIS 13 24.432 16.103 12.511
77 HD1 HIS 13 HD1 HIS 13 25.193 19.426 13.797
78 HD2 HIS 13 HD2 HIS 13 21.933 16.955 13.062
79 HE1 HIS 13 HE1 HIS 13 23.153 20.886 14.048
80 HE2 HIS 13 HE2 HIS 13 21.177 19.450 13.326
81 HA PRO 14 HA PRO 14 22.954 16.775 17.658
82 HB2 PRO 14 HB3 PRO 14 23.768 15.924 20.215
83 HB3 PRO 14 HB2 PRO 14 22.995 14.857 18.991
84 HG2 PRO 14 HG3 PRO 14 26.006 15.264 19.465
85 HG3 PRO 14 HG2 PRO 14 25.090 13.692 19.381
86 HD2 PRO 14 HD3 PRO 14 26.398 14.654 17.224
87 HD3 PRO 14 HD2 PRO 14 24.727 13.945 17.019
88 H GLU 15 H GLU 15 26.092 17.783 17.602
89 HA GLU 15 HA GLU 15 26.347 19.188 20.034
90 HB2 GLU 15 HB3 GLU 15 28.311 18.309 18.919
91 HB3 GLU 15 HB2 GLU 15 28.081 19.379 17.516
92 HG2 GLU 15 HG3 GLU 15 28.404 21.366 19.125
93 HG3 GLU 15 HG2 GLU 15 28.889 20.148 20.365
94 H VAL 16 H VAL 16 24.734 20.082 17.120
95 HA VAL 16 HA VAL 16 24.890 22.914 17.825
96 HB VAL 16 HB VAL 16 24.005 21.467 15.331
97 HG11 VAL 16 HG11 VAL 16 22.845 23.692 15.379
98 HG12 VAL 16 HG12 VAL 16 24.303 23.875 14.361
99 HG13 VAL 16 HG13 VAL 16 24.334 24.482 16.051
100 HG21 VAL 16 HG21 VAL 16 26.521 23.127 16.041
101 HG22 VAL 16 HG22 VAL 16 26.136 22.447 14.425
102 HG23 VAL 16 HG23 VAL 16 26.497 21.348 15.795
103 H CYS 17 H CYS 17 23.332 20.546 18.984
104 HA CYS 17 HA CYS 17 21.468 22.435 19.800
105 HB2 CYS 17 HB3 CYS 17 19.249 20.980 19.239
106 HB3 CYS 17 HB2 CYS 17 20.277 20.866 17.799
107 H ASP 18 H ASP 18 22.547 19.211 20.810
108 HA ASP 18 HA ASP 18 22.187 20.473 23.380
109 HB2 ASP 18 HB3 ASP 18 21.506 17.504 22.695
110 HB3 ASP 18 HB2 ASP 18 22.536 17.716 24.073
Start of MODEL 4
1 H1 GLU 1 H1 GLU 1 16.948 24.686 16.959
2 H2 GLU 1 H2 GLU 1 16.293 25.896 17.916
3 H3 GLU 1 H3 GLU 1 16.258 26.047 16.238
4 HA GLU 1 HA GLU 1 14.833 23.992 17.761
5 HB2 GLU 1 HB3 GLU 1 14.138 26.808 16.996
6 HB3 GLU 1 HB2 GLU 1 12.872 25.662 16.658
7 HG2 GLU 1 HG3 GLU 1 14.156 26.114 19.413
8 HG3 GLU 1 HG2 GLU 1 12.519 26.599 18.858
9 H GLY 2 H GLY 2 16.455 23.533 15.413
10 HA2 GLY 2 HA3 GLY 2 14.217 22.154 13.980
11 HA3 GLY 2 HA2 GLY 2 15.499 22.720 13.036
12 H CYS 3 H CYS 3 17.033 21.653 15.875
13 HA CYS 3 HA CYS 3 17.072 18.882 14.721
14 HB2 CYS 3 HB3 CYS 3 19.677 20.457 15.109
15 HB3 CYS 3 HB2 CYS 3 19.591 18.750 15.028
16 H CYS 4 H CYS 4 17.127 20.720 17.619
17 HA CYS 4 HA CYS 4 18.169 18.420 18.949
18 HB2 CYS 4 HB3 CYS 4 16.863 20.988 20.188
19 HB3 CYS 4 HB2 CYS 4 17.866 19.926 21.109
20 H SER 5 H SER 5 16.076 17.268 17.977
21 HA SER 5 HA SER 5 14.386 16.757 20.137
22 HB2 SER 5 HB3 SER 5 12.197 17.738 19.256
23 HB3 SER 5 HB2 SER 5 13.357 18.967 19.814
24 HG SER 5 HG SER 5 13.155 19.789 17.978
25 H ASN 6 H ASN 6 14.174 16.942 16.616
26 HA ASN 6 HA ASN 6 12.856 14.492 16.468
27 HB2 ASN 6 HB3 ASN 6 14.521 16.025 14.284
28 HB3 ASN 6 HB2 ASN 6 14.048 14.443 13.903
29 HD21 ASN 6 HD21 ASN 6 12.812 17.645 14.626
30 HD22 ASN 6 HD22 ASN 6 11.174 17.343 14.074
31 HA PRO 7 HA PRO 7 16.474 12.445 17.660
32 HB2 PRO 7 HB3 PRO 7 15.957 9.677 17.233
33 HB3 PRO 7 HB2 PRO 7 15.490 10.688 18.656
34 HG2 PRO 7 HG3 PRO 7 13.829 10.119 16.129
35 HG3 PRO 7 HG2 PRO 7 13.322 9.960 17.867
36 HD2 PRO 7 HD3 PRO 7 12.631 12.153 16.564
37 HD3 PRO 7 HD2 PRO 7 13.434 12.363 18.192
38 H ALA 8 H ALA 8 15.984 12.913 14.571
39 HA ALA 8 HA ALA 8 18.026 11.038 13.576
40 HB1 ALA 8 HB1 ALA 8 17.051 11.189 11.332
41 HB2 ALA 8 HB2 ALA 8 15.680 12.163 11.964
42 HB3 ALA 8 HB3 ALA 8 15.936 10.498 12.547
43 H CYS 9 H CYS 9 17.024 14.549 13.339
44 HA CYS 9 HA CYS 9 19.536 15.067 12.098
45 HB2 CYS 9 HB3 CYS 9 17.760 16.670 11.662
46 HB3 CYS 9 HB2 CYS 9 17.682 17.136 13.372
47 H ARG 10 H ARG 10 18.282 14.913 15.356
48 HA ARG 10 HA ARG 10 20.546 16.114 16.513
49 HB2 ARG 10 HB3 ARG 10 18.115 15.332 17.793
50 HB3 ARG 10 HB2 ARG 10 18.963 13.808 17.928
51 HG2 ARG 10 HG3 ARG 10 20.790 14.897 19.183
52 HG3 ARG 10 HG2 ARG 10 19.972 16.478 18.983
53 HD2 ARG 10 HD3 ARG 10 18.016 15.684 20.315
54 HD3 ARG 10 HD2 ARG 10 18.816 14.077 20.547
55 HE ARG 10 HE ARG 10 19.717 16.719 21.708
56 HH11 ARG 10 HH11 ARG 10 20.509 13.267 21.644
57 HH12 ARG 10 HH12 ARG 10 22.184 13.578 22.013
58 HH21 ARG 10 HH21 ARG 10 21.508 16.972 22.691
59 HH22 ARG 10 HH22 ARG 10 22.736 15.737 22.886
60 H THR 11 H THR 11 19.939 12.566 16.312
61 HA THR 11 HA THR 11 22.379 11.967 17.432
62 HB THR 11 HB THR 11 20.338 10.586 17.137
63 HG1 THR 11 HG1 THR 11 22.440 9.760 17.771
64 HG21 THR 11 HG21 THR 11 20.161 9.155 15.123
65 HG22 THR 11 HG22 THR 11 21.539 9.980 14.334
66 HG23 THR 11 HG23 THR 11 20.019 10.885 14.673
67 H ASN 12 H ASN 12 21.970 13.350 14.615
68 HA ASN 12 HA ASN 12 24.236 11.985 13.286
69 HB2 ASN 12 HB3 ASN 12 21.864 12.422 11.941
70 HB3 ASN 12 HB2 ASN 12 22.569 14.035 11.697
71 HD21 ASN 12 HD21 ASN 12 23.486 14.082 9.689
72 HD22 ASN 12 HD22 ASN 12 24.232 12.717 8.907
73 H HIS 13 H HIS 13 23.543 14.841 15.001
74 HA HIS 13 HA HIS 13 26.260 15.528 14.758
75 HB2 HIS 13 HB3 HIS 13 26.042 17.563 13.281
76 HB3 HIS 13 HB2 HIS 13 24.693 16.568 12.669
77 HD1 HIS 13 HD1 HIS 13 25.484 19.717 13.985
78 HD2 HIS 13 HD2 HIS 13 22.134 17.297 13.577
79 HE1 HIS 13 HE1 HIS 13 23.556 21.020 14.961
80 HE2 HIS 13 HE2 HIS 13 21.480 19.774 14.119
81 HA PRO 14 HA PRO 14 23.275 16.426 17.874
82 HB2 PRO 14 HB3 PRO 14 23.949 14.926 20.185
83 HB3 PRO 14 HB2 PRO 14 23.062 14.252 18.775
84 HG2 PRO 14 HG3 PRO 14 26.100 14.172 19.251
85 HG3 PRO 14 HG2 PRO 14 24.987 12.785 18.865
86 HD2 PRO 14 HD3 PRO 14 26.374 13.941 16.866
87 HD3 PRO 14 HD2 PRO 14 24.608 13.615 16.647
88 H GLU 15 H GLU 15 26.612 16.718 18.300
89 HA GLU 15 HA GLU 15 26.521 17.801 20.973
90 HB2 GLU 15 HB3 GLU 15 28.258 16.219 20.387
91 HB3 GLU 15 HB2 GLU 15 28.911 17.276 19.124
92 HG2 GLU 15 HG3 GLU 15 29.348 19.020 20.999
93 HG3 GLU 15 HG2 GLU 15 28.971 17.685 22.171
94 H VAL 16 H VAL 16 26.411 19.124 17.698
95 HA VAL 16 HA VAL 16 26.978 21.746 18.563
96 HB VAL 16 HB VAL 16 25.487 20.688 16.138
97 HG11 VAL 16 HG11 VAL 16 25.115 23.122 16.442
98 HG12 VAL 16 HG12 VAL 16 26.364 22.867 15.176
99 HG13 VAL 16 HG13 VAL 16 26.861 23.374 16.830
100 HG21 VAL 16 HG21 VAL 16 27.792 21.029 15.056
101 HG22 VAL 16 HG22 VAL 16 27.722 19.634 16.178
102 HG23 VAL 16 HG23 VAL 16 28.480 21.191 16.707
103 H CYS 17 H CYS 17 24.092 19.727 18.383
104 HA CYS 17 HA CYS 17 22.499 22.108 18.881
105 HB2 CYS 17 HB3 CYS 17 21.710 20.115 17.155
106 HB3 CYS 17 HB2 CYS 17 21.043 19.422 18.603
107 H ASP 18 H ASP 18 23.222 19.179 20.649
108 HA ASP 18 HA ASP 18 22.459 18.489 22.757
109 HB2 ASP 18 HB3 ASP 18 23.840 20.922 23.197
110 HB3 ASP 18 HB2 ASP 18 22.228 21.381 23.675
Start of MODEL 5
1 H1 GLU 1 H1 GLU 1 18.927 23.977 17.232
2 H2 GLU 1 H2 GLU 1 18.083 23.924 18.689
3 H3 GLU 1 H3 GLU 1 18.954 25.291 18.279
4 HA GLU 1 HA GLU 1 16.617 25.651 17.991
5 HB2 GLU 1 HB3 GLU 1 18.513 26.564 16.326
6 HB3 GLU 1 HB2 GLU 1 17.890 25.402 15.184
7 HG2 GLU 1 HG3 GLU 1 16.843 27.445 14.650
8 HG3 GLU 1 HG2 GLU 1 15.542 26.545 15.506
9 H GLY 2 H GLY 2 17.300 23.598 15.217
10 HA2 GLY 2 HA3 GLY 2 14.608 22.338 15.742
11 HA3 GLY 2 HA2 GLY 2 15.018 22.754 14.170
12 H CYS 3 H CYS 3 17.747 21.433 15.918
13 HA CYS 3 HA CYS 3 16.954 18.788 14.703
14 HB2 CYS 3 HB3 CYS 3 19.905 19.700 14.818
15 HB3 CYS 3 HB2 CYS 3 19.402 18.081 14.740
16 H CYS 4 H CYS 4 17.135 20.278 17.559
17 HA CYS 4 HA CYS 4 17.434 17.620 18.781
18 HB2 CYS 4 HB3 CYS 4 17.523 20.397 20.111
19 HB3 CYS 4 HB2 CYS 4 17.026 19.021 21.055
20 H SER 5 H SER 5 15.436 17.175 17.488
21 HA SER 5 HA SER 5 13.236 17.397 19.252
22 HB2 SER 5 HB3 SER 5 11.601 18.456 17.592
23 HB3 SER 5 HB2 SER 5 12.839 19.593 18.187
24 HG SER 5 HG SER 5 12.604 19.742 15.994
25 H ASN 6 H ASN 6 13.831 16.699 15.797
26 HA ASN 6 HA ASN 6 12.355 14.287 16.179
27 HB2 ASN 6 HB3 ASN 6 14.047 15.257 13.700
28 HB3 ASN 6 HB2 ASN 6 13.160 13.808 13.591
29 HD21 ASN 6 HD21 ASN 6 12.909 17.291 13.775
30 HD22 ASN 6 HD22 ASN 6 11.224 17.372 13.295
31 HA PRO 7 HA PRO 7 16.352 12.820 17.466
32 HB2 PRO 7 HB3 PRO 7 15.908 10.315 18.481
33 HB3 PRO 7 HB2 PRO 7 15.298 11.825 19.244
34 HG2 PRO 7 HG3 PRO 7 13.742 10.049 17.260
35 HG3 PRO 7 HG2 PRO 7 13.247 10.534 18.947
36 HD2 PRO 7 HD3 PRO 7 12.392 11.954 16.846
37 HD3 PRO 7 HD2 PRO 7 13.035 12.839 18.317
38 H ALA 8 H ALA 8 16.009 12.822 14.851
39 HA ALA 8 HA ALA 8 17.802 10.651 14.022
40 HB1 ALA 8 HB1 ALA 8 15.796 10.141 12.868
41 HB2 ALA 8 HB2 ALA 8 16.917 10.843 11.664
42 HB3 ALA 8 HB3 ALA 8 15.535 11.813 12.306
43 H CYS 9 H CYS 9 17.068 14.173 13.571
44 HA CYS 9 HA CYS 9 19.516 14.463 12.137
45 HB2 CYS 9 HB3 CYS 9 17.750 16.038 11.600
46 HB3 CYS 9 HB2 CYS 9 17.702 16.660 13.274
47 H ARG 10 H ARG 10 18.490 14.619 15.404
48 HA ARG 10 HA ARG 10 20.735 15.940 16.451
49 HB2 ARG 10 HB3 ARG 10 18.412 14.972 17.825
50 HB3 ARG 10 HB2 ARG 10 19.394 13.562 18.002
51 HG2 ARG 10 HG3 ARG 10 21.104 14.790 19.236
52 HG3 ARG 10 HG2 ARG 10 20.275 16.348 18.879
53 HD2 ARG 10 HD3 ARG 10 18.234 15.530 20.112
54 HD3 ARG 10 HD2 ARG 10 19.112 13.995 20.518
55 HE ARG 10 HE ARG 10 20.736 16.286 21.323
56 HH11 ARG 10 HH11 ARG 10 17.632 14.776 22.286
57 HH12 ARG 10 HH12 ARG 10 17.899 15.162 23.969
58 HH21 ARG 10 HH21 ARG 10 20.916 16.881 23.344
59 HH22 ARG 10 HH22 ARG 10 19.791 16.441 24.616
60 H THR 11 H THR 11 20.082 12.448 16.263
61 HA THR 11 HA THR 11 22.280 11.442 17.280
62 HB THR 11 HB THR 11 20.886 10.050 14.997
63 HG1 THR 11 HG1 THR 11 19.089 9.843 16.252
64 HG21 THR 11 HG21 THR 11 22.466 8.801 16.571
65 HG22 THR 11 HG22 THR 11 20.759 8.261 16.774
66 HG23 THR 11 HG23 THR 11 21.495 9.388 17.973
67 H ASN 12 H ASN 12 22.446 13.231 14.631
68 HA ASN 12 HA ASN 12 24.746 11.731 13.536
69 HB2 ASN 12 HB3 ASN 12 22.598 12.038 11.883
70 HB3 ASN 12 HB2 ASN 12 23.055 13.744 11.865
71 HD21 ASN 12 HD21 ASN 12 24.810 10.545 11.569
72 HD22 ASN 12 HD22 ASN 12 25.683 11.039 10.141
73 H HIS 13 H HIS 13 23.931 14.668 15.154
74 HA HIS 13 HA HIS 13 26.566 15.554 14.869
75 HB2 HIS 13 HB3 HIS 13 26.259 17.206 12.984
76 HB3 HIS 13 HB2 HIS 13 24.953 16.044 12.591
77 HD1 HIS 13 HD1 HIS 13 25.598 19.411 13.400
78 HD2 HIS 13 HD2 HIS 13 22.356 16.778 13.318
79 HE1 HIS 13 HE1 HIS 13 23.553 20.788 13.932
80 HE2 HIS 13 HE2 HIS 13 21.577 19.288 13.383
81 HA PRO 14 HA PRO 14 23.266 16.742 17.577
82 HB2 PRO 14 HB3 PRO 14 23.837 15.763 20.164
83 HB3 PRO 14 HB2 PRO 14 23.208 14.727 18.835
84 HG2 PRO 14 HG3 PRO 14 26.166 15.162 19.551
85 HG3 PRO 14 HG2 PRO 14 25.275 13.583 19.423
86 HD2 PRO 14 HD3 PRO 14 26.653 14.465 17.284
87 HD3 PRO 14 HD2 PRO 14 24.953 13.875 17.044
88 H GLU 15 H GLU 15 26.498 17.489 18.192
89 HA GLU 15 HA GLU 15 26.187 18.929 20.600
90 HB2 GLU 15 HB3 GLU 15 28.290 17.807 19.975
91 HB3 GLU 15 HB2 GLU 15 28.564 18.985 18.662
92 HG2 GLU 15 HG3 GLU 15 29.965 19.464 20.562
93 HG3 GLU 15 HG2 GLU 15 28.807 20.802 20.323
94 H VAL 16 H VAL 16 25.378 19.809 17.444
95 HA VAL 16 HA VAL 16 25.738 22.620 17.781
96 HB VAL 16 HB VAL 16 24.086 21.075 15.751
97 HG11 VAL 16 HG11 VAL 16 24.698 23.171 14.372
98 HG12 VAL 16 HG12 VAL 16 25.350 23.915 15.865
99 HG13 VAL 16 HG13 VAL 16 23.591 23.540 15.739
100 HG21 VAL 16 HG21 VAL 16 26.200 21.421 14.348
101 HG22 VAL 16 HG22 VAL 16 26.368 20.187 15.646
102 HG23 VAL 16 HG23 VAL 16 27.066 21.840 15.863
103 H CYS 17 H CYS 17 23.344 20.312 18.751
104 HA CYS 17 HA CYS 17 21.845 22.574 19.674
105 HB2 CYS 17 HB3 CYS 17 19.589 21.215 19.078
106 HB3 CYS 17 HB2 CYS 17 20.639 21.019 17.673
107 H ASP 18 H ASP 18 22.360 19.142 20.683
108 HA ASP 18 HA ASP 18 23.493 20.001 22.926
109 HB2 ASP 18 HB3 ASP 18 20.428 19.553 23.086
110 HB3 ASP 18 HB2 ASP 18 21.331 18.756 24.378
Start of MODEL 6
1 H1 GLU 1 H1 GLU 1 20.100 26.156 17.441
2 H2 GLU 1 H2 GLU 1 18.847 26.625 18.455
3 H3 GLU 1 H3 GLU 1 18.556 26.475 16.790
4 HA GLU 1 HA GLU 1 19.560 24.097 17.521
5 HB2 GLU 1 HB3 GLU 1 17.461 25.061 19.611
6 HB3 GLU 1 HB2 GLU 1 18.163 23.463 19.625
7 HG2 GLU 1 HG3 GLU 1 19.317 24.470 21.304
8 HG3 GLU 1 HG2 GLU 1 20.496 24.688 19.973
9 H GLY 2 H GLY 2 18.655 23.105 15.914
10 HA2 GLY 2 HA3 GLY 2 15.681 23.307 15.586
11 HA3 GLY 2 HA2 GLY 2 16.624 23.373 14.186
12 H CYS 3 H CYS 3 18.085 21.101 16.311
13 HA CYS 3 HA CYS 3 16.429 18.998 14.925
14 HB2 CYS 3 HB3 CYS 3 19.525 18.857 14.955
15 HB3 CYS 3 HB2 CYS 3 18.489 17.537 14.664
16 H CYS 4 H CYS 4 17.155 20.111 17.840
17 HA CYS 4 HA CYS 4 17.510 17.464 18.966
18 HB2 CYS 4 HB3 CYS 4 17.627 20.202 20.358
19 HB3 CYS 4 HB2 CYS 4 17.260 18.795 21.298
20 H SER 5 H SER 5 15.644 16.661 18.077
21 HA SER 5 HA SER 5 13.592 16.422 19.928
22 HB2 SER 5 HB3 SER 5 11.641 17.396 18.570
23 HB3 SER 5 HB2 SER 5 12.737 18.632 19.212
24 HG SER 5 HG SER 5 12.218 18.938 17.042
25 H ASN 6 H ASN 6 13.997 16.396 16.394
26 HA ASN 6 HA ASN 6 12.625 13.991 16.224
27 HB2 ASN 6 HB3 ASN 6 14.507 15.348 14.079
28 HB3 ASN 6 HB2 ASN 6 13.204 14.345 13.580
29 HD21 ASN 6 HD21 ASN 6 10.923 15.218 14.677
30 HD22 ASN 6 HD22 ASN 6 10.742 16.936 14.429
31 HA PRO 7 HA PRO 7 16.587 12.062 17.002
32 HB2 PRO 7 HB3 PRO 7 15.993 9.454 17.541
33 HB3 PRO 7 HB2 PRO 7 15.438 10.806 18.598
34 HG2 PRO 7 HG3 PRO 7 13.844 9.498 16.303
35 HG3 PRO 7 HG2 PRO 7 13.345 9.671 18.044
36 HD2 PRO 7 HD3 PRO 7 12.610 11.499 16.158
37 HD3 PRO 7 HD2 PRO 7 13.109 12.042 17.830
38 H ALA 8 H ALA 8 15.911 12.501 14.394
39 HA ALA 8 HA ALA 8 17.606 10.485 13.073
40 HB1 ALA 8 HB1 ALA 8 16.485 10.900 10.896
41 HB2 ALA 8 HB2 ALA 8 15.237 11.908 11.723
42 HB3 ALA 8 HB3 ALA 8 15.421 10.180 12.146
43 H CYS 9 H CYS 9 16.899 14.016 13.256
44 HA CYS 9 HA CYS 9 19.301 14.474 11.699
45 HB2 CYS 9 HB3 CYS 9 17.526 15.984 11.166
46 HB3 CYS 9 HB2 CYS 9 17.305 16.489 12.855
47 H ARG 10 H ARG 10 18.185 14.503 14.983
48 HA ARG 10 HA ARG 10 20.317 16.027 16.018
49 HB2 ARG 10 HB3 ARG 10 17.971 15.002 17.367
50 HB3 ARG 10 HB2 ARG 10 19.007 13.669 17.638
51 HG2 ARG 10 HG3 ARG 10 20.722 15.171 18.734
52 HG3 ARG 10 HG2 ARG 10 19.565 16.514 18.546
53 HD2 ARG 10 HD3 ARG 10 18.000 15.579 20.077
54 HD3 ARG 10 HD2 ARG 10 18.627 13.909 19.868
55 HE ARG 10 HE ARG 10 20.082 16.133 21.384
56 HH11 ARG 10 HH21 ARG 10 19.781 12.609 20.758
57 HH12 ARG 10 HH22 ARG 10 20.418 12.212 22.305
58 HH21 ARG 10 HH11 ARG 10 21.089 15.578 23.149
59 HH22 ARG 10 HH12 ARG 10 21.184 13.938 23.743
60 H THR 11 H THR 11 19.886 12.520 16.067
61 HA THR 11 HA THR 11 21.866 11.787 17.625
62 HB THR 11 HB THR 11 21.029 10.168 15.213
63 HG1 THR 11 HG1 THR 11 19.189 9.749 16.332
64 HG21 THR 11 HG21 THR 11 22.529 9.082 16.947
65 HG22 THR 11 HG22 THR 11 20.846 8.431 17.064
66 HG23 THR 11 HG23 THR 11 21.403 9.653 18.256
67 H ASN 12 H ASN 12 22.349 13.066 14.606
68 HA ASN 12 HA ASN 12 24.875 11.583 14.232
69 HB2 ASN 12 HB3 ASN 12 22.979 12.748 12.032
70 HB3 ASN 12 HB2 ASN 12 24.633 12.338 11.653
71 HD21 ASN 12 HD21 ASN 12 24.611 10.469 10.564
72 HD22 ASN 12 HD22 ASN 12 23.660 9.069 10.953
73 H HIS 13 H HIS 13 23.729 14.632 15.129
74 HA HIS 13 HA HIS 13 26.371 15.607 14.959
75 HB2 HIS 13 HB3 HIS 13 26.063 17.221 13.045
76 HB3 HIS 13 HB2 HIS 13 24.912 15.925 12.602
77 HD1 HIS 13 HD1 HIS 13 25.071 19.378 13.601
78 HD2 HIS 13 HD2 HIS 13 22.292 16.370 12.845
79 HE1 HIS 13 HE1 HIS 13 22.841 20.485 13.771
80 HE2 HIS 13 HE2 HIS 13 21.155 18.750 12.910
81 HA PRO 14 HA PRO 14 22.975 16.634 17.592
82 HB2 PRO 14 HB3 PRO 14 23.497 15.667 20.156
83 HB3 PRO 14 HB2 PRO 14 22.945 14.636 18.784
84 HG2 PRO 14 HG3 PRO 14 25.855 15.136 19.645
85 HG3 PRO 14 HG2 PRO 14 25.030 13.538 19.422
86 HD2 PRO 14 HD3 PRO 14 26.502 14.595 17.418
87 HD3 PRO 14 HD2 PRO 14 24.868 13.863 17.051
88 H GLU 15 H GLU 15 26.157 17.677 18.052
89 HA GLU 15 HA GLU 15 25.713 19.151 20.483
90 HB2 GLU 15 HB3 GLU 15 27.889 18.025 19.951
91 HB3 GLU 15 HB2 GLU 15 28.176 19.245 18.672
92 HG2 GLU 15 HG3 GLU 15 28.156 21.058 20.424
93 HG3 GLU 15 HG2 GLU 15 27.754 19.820 21.675
94 H VAL 16 H VAL 16 24.966 19.741 17.282
95 HA VAL 16 HA VAL 16 25.224 22.615 17.449
96 HB VAL 16 HB VAL 16 23.927 20.882 15.339
97 HG11 VAL 16 HG11 VAL 16 23.305 23.281 15.048
98 HG12 VAL 16 HG12 VAL 16 24.604 22.882 13.881
99 HG13 VAL 16 HG13 VAL 16 25.002 23.793 15.376
100 HG21 VAL 16 HG21 VAL 16 26.266 20.133 15.570
101 HG22 VAL 16 HG22 VAL 16 26.831 21.832 15.785
102 HG23 VAL 16 HG23 VAL 16 26.210 21.295 14.195
103 H CYS 17 H CYS 17 23.317 20.494 18.900
104 HA CYS 17 HA CYS 17 21.590 22.635 19.470
105 HB2 CYS 17 HB3 CYS 17 19.341 21.132 19.067
106 HB3 CYS 17 HB2 CYS 17 20.311 21.030 17.587
107 H ASP 18 H ASP 18 22.233 19.378 20.737
108 HA ASP 18 HA ASP 18 21.285 19.878 23.091
109 HB2 ASP 18 HB3 ASP 18 24.165 18.676 22.537
110 HB3 ASP 18 HB2 ASP 18 23.537 18.596 24.109
Start of MODEL 7
1 H1 GLU 1 H1 GLU 1 17.871 25.295 18.491
2 H2 GLU 1 H2 GLU 1 18.944 26.457 17.931
3 H3 GLU 1 H3 GLU 1 19.487 24.911 18.122
4 HA GLU 1 HA GLU 1 17.948 26.178 16.056
5 HB2 GLU 1 HB3 GLU 1 19.979 23.831 16.162
6 HB3 GLU 1 HB2 GLU 1 19.396 24.500 14.629
7 HG2 GLU 1 HG3 GLU 1 20.261 26.769 15.278
8 HG3 GLU 1 HG2 GLU 1 21.027 26.055 16.733
9 H GLY 2 H GLY 2 17.914 23.433 14.630
10 HA2 GLY 2 HA3 GLY 2 15.125 22.866 15.632
11 HA3 GLY 2 HA2 GLY 2 15.409 22.939 13.986
12 H CYS 3 H CYS 3 17.998 21.376 15.765
13 HA CYS 3 HA CYS 3 16.786 18.791 14.793
14 HB2 CYS 3 HB3 CYS 3 19.772 19.444 14.404
15 HB3 CYS 3 HB2 CYS 3 19.094 17.888 14.306
16 H CYS 4 H CYS 4 16.999 20.180 17.386
17 HA CYS 4 HA CYS 4 17.577 17.644 18.682
18 HB2 CYS 4 HB3 CYS 4 17.565 19.386 20.927
19 HB3 CYS 4 HB2 CYS 4 19.076 19.341 20.053
20 H SER 5 H SER 5 15.718 16.737 18.261
21 HA SER 5 HA SER 5 13.512 17.465 19.796
22 HB2 SER 5 HB3 SER 5 11.938 18.089 17.816
23 HB3 SER 5 HB2 SER 5 13.097 19.340 18.307
24 HG SER 5 HG SER 5 13.256 19.257 16.211
25 H ASN 6 H ASN 6 14.189 15.949 16.610
26 HA ASN 6 HA ASN 6 12.708 13.648 17.635
27 HB2 ASN 6 HB3 ASN 6 11.837 14.911 15.301
28 HB3 ASN 6 HB2 ASN 6 13.299 14.253 14.610
29 HD21 ASN 6 HD21 ASN 6 12.563 12.578 13.336
30 HD22 ASN 6 HD22 ASN 6 11.667 11.223 13.954
31 HA PRO 7 HA PRO 7 16.673 12.306 17.834
32 HB2 PRO 7 HB3 PRO 7 16.677 9.524 17.861
33 HB3 PRO 7 HB2 PRO 7 16.073 10.590 19.177
34 HG2 PRO 7 HG3 PRO 7 14.419 9.346 16.902
35 HG3 PRO 7 HG2 PRO 7 14.099 9.256 18.691
36 HD2 PRO 7 HD3 PRO 7 12.866 11.104 17.159
37 HD3 PRO 7 HD2 PRO 7 13.552 11.611 18.779
38 H ALA 8 H ALA 8 15.609 12.475 14.934
39 HA ALA 8 HA ALA 8 17.436 10.611 13.593
40 HB1 ALA 8 HB1 ALA 8 16.037 10.789 11.592
41 HB2 ALA 8 HB2 ALA 8 14.894 11.890 12.445
42 HB3 ALA 8 HB3 ALA 8 15.126 10.212 13.014
43 H CYS 9 H CYS 9 16.619 14.134 13.663
44 HA CYS 9 HA CYS 9 18.783 14.521 11.769
45 HB2 CYS 9 HB3 CYS 9 16.850 16.013 11.559
46 HB3 CYS 9 HB2 CYS 9 17.138 16.671 13.187
47 H ARG 10 H ARG 10 18.203 14.554 15.111
48 HA ARG 10 HA ARG 10 20.497 15.991 15.933
49 HB2 ARG 10 HB3 ARG 10 18.356 14.965 17.556
50 HB3 ARG 10 HB2 ARG 10 19.302 13.505 17.438
51 HG2 ARG 10 HG3 ARG 10 21.245 14.879 18.513
52 HG3 ARG 10 HG2 ARG 10 19.954 16.070 18.887
53 HD2 ARG 10 HD3 ARG 10 18.630 14.273 20.053
54 HD3 ARG 10 HD2 ARG 10 19.873 13.049 19.565
55 HE ARG 10 HE ARG 10 21.232 15.164 20.988
56 HH11 ARG 10 HH21 ARG 10 18.847 12.556 21.747
57 HH12 ARG 10 HH22 ARG 10 19.799 12.053 23.117
58 HH21 ARG 10 HH11 ARG 10 22.141 14.656 22.895
59 HH22 ARG 10 HH12 ARG 10 21.530 13.381 23.914
60 H THR 11 H THR 11 20.156 12.571 15.399
61 HA THR 11 HA THR 11 22.360 11.745 16.782
62 HB THR 11 HB THR 11 20.426 10.456 15.855
63 HG1 THR 11 HG1 THR 11 21.850 8.600 15.471
64 HG21 THR 11 HG21 THR 11 20.668 9.349 13.677
65 HG22 THR 11 HG22 THR 11 22.240 10.154 13.367
66 HG23 THR 11 HG23 THR 11 20.729 11.127 13.415
67 H ASN 12 H ASN 12 22.454 13.540 14.141
68 HA ASN 12 HA ASN 12 24.915 12.314 13.069
69 HB2 ASN 12 HB3 ASN 12 22.916 14.215 11.562
70 HB3 ASN 12 HB2 ASN 12 24.467 13.783 10.886
71 HD21 ASN 12 HD21 ASN 12 24.927 11.329 10.737
72 HD22 ASN 12 HD22 ASN 12 23.572 10.293 10.414
73 H HIS 13 H HIS 13 23.814 15.061 14.842
74 HA HIS 13 HA HIS 13 26.519 15.745 15.206
75 HB2 HIS 13 HB3 HIS 13 25.759 18.345 14.601
76 HB3 HIS 13 HB2 HIS 13 26.073 17.302 13.193
77 HD1 HIS 13 HD1 HIS 13 22.762 17.739 15.154
78 HD2 HIS 13 HD2 HIS 13 24.620 17.666 11.431
79 HE1 HIS 13 HE1 HIS 13 20.925 17.532 13.507
80 HE2 HIS 13 HE2 HIS 13 21.996 17.888 11.191
81 HA PRO 14 HA PRO 14 23.132 16.173 18.018
82 HB2 PRO 14 HB3 PRO 14 24.868 14.936 20.250
83 HB3 PRO 14 HB2 PRO 14 23.105 14.766 19.954
84 HG2 PRO 14 HG3 PRO 14 24.825 12.847 19.065
85 HG3 PRO 14 HG2 PRO 14 23.443 13.430 18.030
86 HD2 PRO 14 HD3 PRO 14 26.397 14.253 17.873
87 HD3 PRO 14 HD2 PRO 14 25.237 13.783 16.547
88 H GLU 15 H GLU 15 26.344 17.359 18.537
89 HA GLU 15 HA GLU 15 25.770 18.749 20.984
90 HB2 GLU 15 HB3 GLU 15 28.007 17.592 20.441
91 HB3 GLU 15 HB2 GLU 15 28.354 18.978 19.384
92 HG2 GLU 15 HG3 GLU 15 27.906 20.472 21.507
93 HG3 GLU 15 HG2 GLU 15 27.824 18.931 22.419
94 H VAL 16 H VAL 16 25.370 19.506 17.614
95 HA VAL 16 HA VAL 16 25.852 22.281 17.985
96 HB VAL 16 HB VAL 16 24.285 21.028 15.728
97 HG11 VAL 16 HG11 VAL 16 25.326 22.989 14.534
98 HG12 VAL 16 HG12 VAL 16 25.992 23.576 16.088
99 HG13 VAL 16 HG13 VAL 16 24.202 23.512 15.833
100 HG21 VAL 16 HG21 VAL 16 27.334 21.365 16.181
101 HG22 VAL 16 HG22 VAL 16 26.566 20.943 14.616
102 HG23 VAL 16 HG23 VAL 16 26.488 19.785 15.989
103 H CYS 17 H CYS 17 23.311 20.128 18.679
104 HA CYS 17 HA CYS 17 21.578 22.435 19.229
105 HB2 CYS 17 HB3 CYS 17 21.014 20.715 17.162
106 HB3 CYS 17 HB2 CYS 17 20.354 19.732 18.428
107 H ASP 18 H ASP 18 22.286 19.174 20.715
108 HA ASP 18 HA ASP 18 20.602 20.330 22.798
109 HB2 ASP 18 HB3 ASP 18 19.731 17.901 21.573
110 HB3 ASP 18 HB2 ASP 18 20.950 17.265 22.671
Start of MODEL 8
1 H1 GLU 1 H1 GLU 1 18.093 26.754 18.371
2 H2 GLU 1 H2 GLU 1 19.150 25.602 17.741
3 H3 GLU 1 H3 GLU 1 18.727 25.575 19.371
4 HA GLU 1 HA GLU 1 17.443 23.932 18.612
5 HB2 GLU 1 HB3 GLU 1 15.801 26.519 18.107
6 HB3 GLU 1 HB2 GLU 1 15.028 24.953 18.337
7 HG2 GLU 1 HG3 GLU 1 16.653 26.536 20.417
8 HG3 GLU 1 HG2 GLU 1 14.892 26.204 20.403
9 H GLY 2 H GLY 2 18.319 23.017 16.801
10 HA2 GLY 2 HA3 GLY 2 16.514 23.459 14.500
11 HA3 GLY 2 HA2 GLY 2 18.114 23.268 14.064
12 H CYS 3 H CYS 3 18.473 20.872 16.088
13 HA CYS 3 HA CYS 3 16.410 19.132 14.780
14 HB2 CYS 3 HB3 CYS 3 19.414 18.401 14.692
15 HB3 CYS 3 HB2 CYS 3 18.134 17.290 14.483
16 H CYS 4 H CYS 4 17.441 20.111 17.662
17 HA CYS 4 HA CYS 4 17.199 17.536 18.844
18 HB2 CYS 4 HB3 CYS 4 16.994 19.256 21.083
19 HB3 CYS 4 HB2 CYS 4 18.595 19.082 20.434
20 H SER 5 H SER 5 15.515 16.836 18.004
21 HA SER 5 HA SER 5 13.059 17.180 19.287
22 HB2 SER 5 HB3 SER 5 11.730 18.069 17.277
23 HB3 SER 5 HB2 SER 5 12.801 19.268 18.017
24 HG SER 5 HG SER 5 13.700 19.497 16.247
25 H ASN 6 H ASN 6 14.286 16.303 16.054
26 HA ASN 6 HA ASN 6 12.712 13.894 16.308
27 HB2 ASN 6 HB3 ASN 6 12.795 15.190 13.890
28 HB3 ASN 6 HB2 ASN 6 14.478 14.727 13.862
29 HD21 ASN 6 HD21 ASN 6 11.164 13.391 13.738
30 HD22 ASN 6 HD22 ASN 6 11.712 11.851 13.113
31 HA PRO 7 HA PRO 7 16.427 12.113 17.661
32 HB2 PRO 7 HB3 PRO 7 15.889 9.447 17.912
33 HB3 PRO 7 HB2 PRO 7 15.015 10.701 18.861
34 HG2 PRO 7 HG3 PRO 7 14.106 9.453 16.192
35 HG3 PRO 7 HG2 PRO 7 13.177 9.512 17.756
36 HD2 PRO 7 HD3 PRO 7 12.840 11.395 15.819
37 HD3 PRO 7 HD2 PRO 7 12.860 11.842 17.607
38 H ALA 8 H ALA 8 15.953 12.162 14.513
39 HA ALA 8 HA ALA 8 18.272 10.405 14.021
40 HB1 ALA 8 HB1 ALA 8 16.360 9.515 12.869
41 HB2 ALA 8 HB2 ALA 8 17.547 10.134 11.693
42 HB3 ALA 8 HB3 ALA 8 16.032 11.056 12.026
43 H CYS 9 H CYS 9 17.007 13.673 13.343
44 HA CYS 9 HA CYS 9 19.427 14.270 11.886
45 HB2 CYS 9 HB3 CYS 9 17.486 15.456 11.145
46 HB3 CYS 9 HB2 CYS 9 17.170 16.171 12.739
47 H ARG 10 H ARG 10 18.248 14.481 15.028
48 HA ARG 10 HA ARG 10 20.297 16.156 16.156
49 HB2 ARG 10 HB3 ARG 10 17.900 15.068 17.407
50 HB3 ARG 10 HB2 ARG 10 18.905 13.701 17.592
51 HG2 ARG 10 HG3 ARG 10 20.572 15.089 18.930
52 HG3 ARG 10 HG2 ARG 10 19.334 16.386 18.923
53 HD2 ARG 10 HD3 ARG 10 17.677 14.875 19.989
54 HD3 ARG 10 HD2 ARG 10 18.800 13.471 19.781
55 HE ARG 10 HE ARG 10 19.628 15.875 21.437
56 HH11 ARG 10 HH11 ARG 10 19.135 12.330 21.405
57 HH12 ARG 10 HH12 ARG 10 19.020 12.274 23.110
58 HH21 ARG 10 HH21 ARG 10 19.540 15.663 23.646
59 HH22 ARG 10 HH22 ARG 10 18.881 14.230 24.322
60 H THR 11 H THR 11 19.888 12.658 16.197
61 HA THR 11 HA THR 11 22.211 12.048 17.471
62 HB THR 11 HB THR 11 20.555 10.369 15.556
63 HG1 THR 11 HG1 THR 11 19.225 10.086 17.282
64 HG21 THR 11 HG21 THR 11 22.576 9.180 16.563
65 HG22 THR 11 HG22 THR 11 21.036 8.565 17.241
66 HG23 THR 11 HG23 THR 11 22.047 9.707 18.208
67 H ASN 12 H ASN 12 22.098 13.422 14.630
68 HA ASN 12 HA ASN 12 24.474 12.024 13.621
69 HB2 ASN 12 HB3 ASN 12 22.094 12.330 12.074
70 HB3 ASN 12 HB2 ASN 12 23.120 13.655 11.477
71 HD21 ASN 12 HD21 ASN 12 22.288 10.679 10.648
72 HD22 ASN 12 HD22 ASN 12 23.803 10.015 10.105
73 H HIS 13 H HIS 13 23.286 15.191 14.704
74 HA HIS 13 HA HIS 13 26.075 15.615 14.870
75 HB2 HIS 13 HB3 HIS 13 25.513 18.228 14.245
76 HB3 HIS 13 HB2 HIS 13 25.700 17.109 12.839
77 HD1 HIS 13 HD1 HIS 13 22.796 18.087 14.983
78 HD2 HIS 13 HD2 HIS 13 24.067 17.443 11.088
79 HE1 HIS 13 HE1 HIS 13 20.745 18.421 13.572
80 HE2 HIS 13 HE2 HIS 13 21.559 18.284 11.116
81 HA PRO 14 HA PRO 14 23.116 16.498 18.044
82 HB2 PRO 14 HB3 PRO 14 24.205 15.502 20.447
83 HB3 PRO 14 HB2 PRO 14 23.240 14.565 19.243
84 HG2 PRO 14 HG3 PRO 14 26.300 14.814 19.389
85 HG3 PRO 14 HG2 PRO 14 25.306 13.300 19.273
86 HD2 PRO 14 HD3 PRO 14 26.406 14.347 17.090
87 HD3 PRO 14 HD2 PRO 14 24.649 13.824 16.998
88 H GLU 15 H GLU 15 26.422 17.340 18.143
89 HA GLU 15 HA GLU 15 26.427 19.114 20.338
90 HB2 GLU 15 HB3 GLU 15 28.481 18.000 19.536
91 HB3 GLU 15 HB2 GLU 15 28.430 18.965 18.025
92 HG2 GLU 15 HG3 GLU 15 28.702 21.049 19.522
93 HG3 GLU 15 HG2 GLU 15 28.985 19.904 20.882
94 H VAL 16 H VAL 16 25.110 19.496 17.164
95 HA VAL 16 HA VAL 16 25.380 22.334 17.141
96 HB VAL 16 HB VAL 16 23.533 20.507 15.574
97 HG11 VAL 16 HG11 VAL 16 24.373 23.461 15.202
98 HG12 VAL 16 HG12 VAL 16 22.709 22.905 15.607
99 HG13 VAL 16 HG13 VAL 16 23.443 22.478 14.023
100 HG21 VAL 16 HG21 VAL 16 25.241 20.844 13.793
101 HG22 VAL 16 HG22 VAL 16 26.014 20.052 15.219
102 HG23 VAL 16 HG23 VAL 16 26.255 21.810 14.915
103 H CYS 17 H CYS 17 23.212 20.049 18.549
104 HA CYS 17 HA CYS 17 21.421 22.281 19.242
105 HB2 CYS 17 HB3 CYS 17 20.714 20.185 17.526
106 HB3 CYS 17 HB2 CYS 17 20.154 19.528 19.047
107 H ASP 18 H ASP 18 22.655 19.327 20.788
108 HA ASP 18 HA ASP 18 20.998 20.118 23.012
109 HB2 ASP 18 HB3 ASP 18 22.519 17.363 22.567
110 HB3 ASP 18 HB2 ASP 18 22.259 17.898 24.145
Start of MODEL 9
1 H1 GLU 1 H1 GLU 1 19.586 23.771 15.959
2 H2 GLU 1 H2 GLU 1 19.859 24.071 17.634
3 H3 GLU 1 H3 GLU 1 20.246 25.213 16.518
4 HA GLU 1 HA GLU 1 18.201 25.469 17.910
5 HB2 GLU 1 HB3 GLU 1 19.112 26.775 15.766
6 HB3 GLU 1 HB2 GLU 1 17.873 25.886 14.871
7 HG2 GLU 1 HG3 GLU 1 16.109 26.920 16.406
8 HG3 GLU 1 HG2 GLU 1 17.423 27.750 17.305
9 H GLY 2 H GLY 2 17.633 23.430 15.095
10 HA2 GLY 2 HA3 GLY 2 14.963 22.797 16.323
11 HA3 GLY 2 HA2 GLY 2 15.040 23.006 14.668
12 H CYS 3 H CYS 3 17.873 21.367 15.671
13 HA CYS 3 HA CYS 3 16.494 18.874 14.707
14 HB2 CYS 3 HB3 CYS 3 19.605 19.049 15.034
15 HB3 CYS 3 HB2 CYS 3 18.719 17.704 14.605
16 H CYS 4 H CYS 4 17.243 20.205 17.678
17 HA CYS 4 HA CYS 4 17.450 17.642 18.877
18 HB2 CYS 4 HB3 CYS 4 17.437 19.493 21.047
19 HB3 CYS 4 HB2 CYS 4 18.951 19.390 20.197
20 H SER 5 H SER 5 15.657 16.853 18.876
21 HA SER 5 HA SER 5 13.359 17.264 20.052
22 HB2 SER 5 HB3 SER 5 12.952 19.473 19.127
23 HB3 SER 5 HB2 SER 5 12.958 18.866 17.457
24 HG SER 5 HG SER 5 11.080 17.775 17.931
25 H ASN 6 H ASN 6 14.716 16.234 16.863
26 HA ASN 6 HA ASN 6 12.851 14.028 17.021
27 HB2 ASN 6 HB3 ASN 6 12.448 15.900 14.995
28 HB3 ASN 6 HB2 ASN 6 13.976 15.304 14.384
29 HD21 ASN 6 HD21 ASN 6 13.459 14.089 12.649
30 HD22 ASN 6 HD22 ASN 6 12.244 12.851 12.610
31 HA PRO 7 HA PRO 7 16.641 12.589 17.898
32 HB2 PRO 7 HB3 PRO 7 16.664 9.851 17.531
33 HB3 PRO 7 HB2 PRO 7 15.643 10.710 18.740
34 HG2 PRO 7 HG3 PRO 7 14.798 9.883 15.889
35 HG3 PRO 7 HG2 PRO 7 13.979 9.494 17.474
36 HD2 PRO 7 HD3 PRO 7 13.161 11.648 16.005
37 HD3 PRO 7 HD2 PRO 7 13.355 11.777 17.824
38 H ALA 8 H ALA 8 15.844 12.609 14.764
39 HA ALA 8 HA ALA 8 17.863 10.772 13.692
40 HB1 ALA 8 HB1 ALA 8 16.464 10.709 11.633
41 HB2 ALA 8 HB2 ALA 8 15.308 11.879 12.379
42 HB3 ALA 8 HB3 ALA 8 15.545 10.253 13.098
43 H CYS 9 H CYS 9 17.012 14.190 13.625
44 HA CYS 9 HA CYS 9 19.309 14.618 11.855
45 HB2 CYS 9 HB3 CYS 9 17.542 16.125 11.364
46 HB3 CYS 9 HB2 CYS 9 17.398 16.688 13.027
47 H ARG 10 H ARG 10 18.358 14.842 15.212
48 HA ARG 10 HA ARG 10 20.618 16.139 16.188
49 HB2 ARG 10 HB3 ARG 10 18.360 15.076 17.634
50 HB3 ARG 10 HB2 ARG 10 19.379 13.696 17.690
51 HG2 ARG 10 HG3 ARG 10 21.201 15.518 18.603
52 HG3 ARG 10 HG2 ARG 10 19.672 16.364 19.013
53 HD2 ARG 10 HD3 ARG 10 18.917 14.269 20.241
54 HD3 ARG 10 HD2 ARG 10 20.524 13.509 19.856
55 HE ARG 10 HE ARG 10 20.440 16.198 21.217
56 HH11 ARG 10 HH21 ARG 10 21.075 12.722 21.707
57 HH12 ARG 10 HH22 ARG 10 21.103 12.905 23.429
58 HH21 ARG 10 HH11 ARG 10 20.492 16.358 23.430
59 HH22 ARG 10 HH12 ARG 10 20.605 14.954 24.401
60 H THR 11 H THR 11 20.182 12.621 16.025
61 HA THR 11 HA THR 11 22.471 11.835 17.151
62 HB THR 11 HB THR 11 20.517 10.524 16.536
63 HG1 THR 11 HG1 THR 11 22.389 9.476 17.089
64 HG21 THR 11 HG21 THR 11 20.271 9.536 14.311
65 HG22 THR 11 HG22 THR 11 21.701 10.441 13.681
66 HG23 THR 11 HG23 THR 11 20.215 11.323 14.184
67 H ASN 12 H ASN 12 22.337 13.445 14.354
68 HA ASN 12 HA ASN 12 24.610 12.058 13.108
69 HB2 ASN 12 HB3 ASN 12 22.868 14.357 11.871
70 HB3 ASN 12 HB2 ASN 12 24.229 13.676 11.020
71 HD21 ASN 12 HD21 ASN 12 21.343 13.729 10.426
72 HD22 ASN 12 HD22 ASN 12 20.918 12.059 10.122
73 H HIS 13 H HIS 13 23.978 14.647 15.171
74 HA HIS 13 HA HIS 13 26.640 15.322 15.354
75 HB2 HIS 13 HB3 HIS 13 26.024 17.935 14.563
76 HB3 HIS 13 HB2 HIS 13 26.368 16.777 13.235
77 HD1 HIS 13 HD1 HIS 13 23.272 17.687 15.113
78 HD2 HIS 13 HD2 HIS 13 24.702 16.608 11.369
79 HE1 HIS 13 HE1 HIS 13 21.225 17.498 13.599
80 HE2 HIS 13 HE2 HIS 13 22.121 16.805 11.331
81 HA PRO 14 HA PRO 14 23.271 16.244 18.064
82 HB2 PRO 14 HB3 PRO 14 24.822 15.188 20.475
83 HB3 PRO 14 HB2 PRO 14 23.084 15.021 20.069
84 HG2 PRO 14 HG3 PRO 14 24.863 12.981 19.511
85 HG3 PRO 14 HG2 PRO 14 23.521 13.403 18.363
86 HD2 PRO 14 HD3 PRO 14 26.462 14.187 18.212
87 HD3 PRO 14 HD2 PRO 14 25.320 13.611 16.910
88 H GLU 15 H GLU 15 26.518 17.342 18.580
89 HA GLU 15 HA GLU 15 25.974 19.233 20.594
90 HB2 GLU 15 HB3 GLU 15 28.183 18.321 20.355
91 HB3 GLU 15 HB2 GLU 15 28.403 19.055 18.748
92 HG2 GLU 15 HG3 GLU 15 27.816 20.726 21.251
93 HG3 GLU 15 HG2 GLU 15 29.468 20.142 20.859
94 H VAL 16 H VAL 16 25.267 19.327 17.196
95 HA VAL 16 HA VAL 16 25.327 22.118 16.928
96 HB VAL 16 HB VAL 16 23.656 20.024 15.492
97 HG11 VAL 16 HG11 VAL 16 24.178 22.995 14.862
98 HG12 VAL 16 HG12 VAL 16 22.573 22.238 15.176
99 HG13 VAL 16 HG13 VAL 16 23.500 21.795 13.707
100 HG21 VAL 16 HG21 VAL 16 26.231 19.846 15.323
101 HG22 VAL 16 HG22 VAL 16 26.255 21.555 14.777
102 HG23 VAL 16 HG23 VAL 16 25.444 20.318 13.769
103 H CYS 17 H CYS 17 23.236 19.977 18.500
104 HA CYS 17 HA CYS 17 21.491 22.230 19.177
105 HB2 CYS 17 HB3 CYS 17 20.847 20.413 17.192
106 HB3 CYS 17 HB2 CYS 17 20.154 19.545 18.531
107 H ASP 18 H ASP 18 22.408 19.177 20.581
108 HA ASP 18 HA ASP 18 22.416 18.654 22.860
109 HB2 ASP 18 HB3 ASP 18 21.908 21.432 23.252
110 HB3 ASP 18 HB2 ASP 18 20.368 20.733 23.655
Start of MODEL 10
1 H1 GLU 1 H1 GLU 1 17.303 26.037 18.949
2 H2 GLU 1 H2 GLU 1 18.942 25.854 19.266
3 H3 GLU 1 H3 GLU 1 17.949 24.524 19.427
4 HA GLU 1 HA GLU 1 18.204 25.976 16.914
5 HB2 GLU 1 HB3 GLU 1 19.616 23.359 17.798
6 HB3 GLU 1 HB2 GLU 1 19.874 24.078 16.204
7 HG2 GLU 1 HG3 GLU 1 20.851 25.090 18.917
8 HG3 GLU 1 HG2 GLU 1 21.800 24.628 17.472
9 H GLY 2 H GLY 2 18.224 23.319 15.547
10 HA2 GLY 2 HA3 GLY 2 15.268 22.925 15.884
11 HA3 GLY 2 HA2 GLY 2 15.860 23.121 14.329
12 H CYS 3 H CYS 3 18.195 21.144 15.643
13 HA CYS 3 HA CYS 3 16.472 18.820 14.794
14 HB2 CYS 3 HB3 CYS 3 19.562 18.569 15.088
15 HB3 CYS 3 HB2 CYS 3 18.507 17.372 14.590
16 H CYS 4 H CYS 4 17.080 20.115 17.643
17 HA CYS 4 HA CYS 4 17.552 17.484 18.878
18 HB2 CYS 4 HB3 CYS 4 17.761 20.296 20.112
19 HB3 CYS 4 HB2 CYS 4 17.457 18.931 21.142
20 H SER 5 H SER 5 15.632 16.744 17.941
21 HA SER 5 HA SER 5 13.484 16.808 19.712
22 HB2 SER 5 HB3 SER 5 11.721 17.883 18.240
23 HB3 SER 5 HB2 SER 5 12.969 19.040 18.729
24 HG SER 5 HG SER 5 12.829 19.360 16.669
25 H ASN 6 H ASN 6 13.973 16.451 16.218
26 HA ASN 6 HA ASN 6 12.625 13.953 16.338
27 HB2 ASN 6 HB3 ASN 6 14.155 15.333 13.952
28 HB3 ASN 6 HB2 ASN 6 13.419 13.814 13.699
29 HD21 ASN 6 HD21 ASN 6 11.051 13.575 14.361
30 HD22 ASN 6 HD22 ASN 6 10.013 14.948 14.090
31 HA PRO 7 HA PRO 7 16.673 12.132 16.958
32 HB2 PRO 7 HB3 PRO 7 16.139 9.489 17.515
33 HB3 PRO 7 HB2 PRO 7 15.852 10.853 18.652
34 HG2 PRO 7 HG3 PRO 7 13.797 9.600 16.743
35 HG3 PRO 7 HG2 PRO 7 13.632 9.878 18.540
36 HD2 PRO 7 HD3 PRO 7 12.625 11.626 16.755
37 HD3 PRO 7 HD2 PRO 7 13.485 12.234 18.255
38 H ALA 8 H ALA 8 15.771 12.598 14.462
39 HA ALA 8 HA ALA 8 17.112 10.504 12.857
40 HB1 ALA 8 HB1 ALA 8 14.826 12.315 11.890
41 HB2 ALA 8 HB2 ALA 8 14.759 10.562 12.232
42 HB3 ALA 8 HB3 ALA 8 15.767 11.166 10.876
43 H CYS 9 H CYS 9 16.918 14.030 13.392
44 HA CYS 9 HA CYS 9 19.375 14.239 11.810
45 HB2 CYS 9 HB3 CYS 9 17.767 15.882 11.199
46 HB3 CYS 9 HB2 CYS 9 17.508 16.416 12.872
47 H ARG 10 H ARG 10 18.187 14.440 15.100
48 HA ARG 10 HA ARG 10 20.299 15.894 16.089
49 HB2 ARG 10 HB3 ARG 10 18.010 14.857 17.498
50 HB3 ARG 10 HB2 ARG 10 19.108 13.555 17.796
51 HG2 ARG 10 HG3 ARG 10 20.749 15.159 18.838
52 HG3 ARG 10 HG2 ARG 10 19.517 16.444 18.603
53 HD2 ARG 10 HD3 ARG 10 17.895 15.103 20.015
54 HD3 ARG 10 HD2 ARG 10 19.155 13.817 20.188
55 HE ARG 10 HE ARG 10 19.734 16.672 21.084
56 HH11 ARG 10 HH11 ARG 10 19.285 13.211 22.078
57 HH12 ARG 10 HH12 ARG 10 19.941 13.576 23.650
58 HH21 ARG 10 HH21 ARG 10 20.016 16.961 23.373
59 HH22 ARG 10 HH22 ARG 10 20.368 15.558 24.314
60 H THR 11 H THR 11 20.121 12.288 16.078
61 HA THR 11 HA THR 11 22.355 11.846 17.546
62 HB THR 11 HB THR 11 21.911 9.567 16.339
63 HG1 THR 11 HG1 THR 11 19.851 9.526 15.451
64 HG21 THR 11 HG21 THR 11 21.109 10.196 18.666
65 HG22 THR 11 HG22 THR 11 19.890 9.216 17.777
66 HG23 THR 11 HG23 THR 11 19.659 10.994 17.950
67 H ASN 12 H ASN 12 22.349 13.209 14.670
68 HA ASN 12 HA ASN 12 24.793 11.809 13.749
69 HB2 ASN 12 HB3 ASN 12 22.580 11.912 12.103
70 HB3 ASN 12 HB2 ASN 12 23.130 13.570 11.820
71 HD21 ASN 12 HD21 ASN 12 24.131 13.531 9.831
72 HD22 ASN 12 HD22 ASN 12 25.280 12.306 9.337
73 H HIS 13 H HIS 13 23.833 14.632 15.246
74 HA HIS 13 HA HIS 13 26.364 15.735 14.982
75 HB2 HIS 13 HB3 HIS 13 25.907 17.555 13.287
76 HB3 HIS 13 HB2 HIS 13 24.832 16.274 12.684
77 HD1 HIS 13 HD1 HIS 13 24.912 19.565 13.441
78 HD2 HIS 13 HD2 HIS 13 22.011 16.584 13.721
79 HE1 HIS 13 HE1 HIS 13 22.813 20.703 14.214
80 HE2 HIS 13 HE2 HIS 13 20.975 18.953 13.819
81 HA PRO 14 HA PRO 14 23.041 16.630 17.805
82 HB2 PRO 14 HB3 PRO 14 23.596 15.430 20.273
83 HB3 PRO 14 HB2 PRO 14 22.977 14.517 18.850
84 HG2 PRO 14 HG3 PRO 14 25.930 14.933 19.603
85 HG3 PRO 14 HG2 PRO 14 25.068 13.345 19.381
86 HD2 PRO 14 HD3 PRO 14 26.418 14.386 17.277
87 HD3 PRO 14 HD2 PRO 14 24.722 13.794 17.026
88 H GLU 15 H GLU 15 26.350 17.363 18.257
89 HA GLU 15 HA GLU 15 26.081 18.733 20.765
90 HB2 GLU 15 HB3 GLU 15 28.100 17.427 20.160
91 HB3 GLU 15 HB2 GLU 15 28.539 18.655 18.940
92 HG2 GLU 15 HG3 GLU 15 28.701 20.369 20.762
93 HG3 GLU 15 HG2 GLU 15 28.278 19.102 21.972
94 H VAL 16 H VAL 16 25.521 19.574 17.445
95 HA VAL 16 HA VAL 16 25.929 22.338 17.801
96 HB VAL 16 HB VAL 16 24.180 20.773 15.885
97 HG11 VAL 16 HG11 VAL 16 25.067 23.742 15.921
98 HG12 VAL 16 HG12 VAL 16 23.362 23.142 16.017
99 HG13 VAL 16 HG13 VAL 16 24.323 22.916 14.516
100 HG21 VAL 16 HG21 VAL 16 27.038 21.961 15.753
101 HG22 VAL 16 HG22 VAL 16 26.133 21.371 14.325
102 HG23 VAL 16 HG23 VAL 16 26.593 20.220 15.630
103 H CYS 17 H CYS 17 23.007 20.251 18.185
104 HA CYS 17 HA CYS 17 21.664 22.704 18.779
105 HB2 CYS 17 HB3 CYS 17 19.463 21.103 18.432
106 HB3 CYS 17 HB2 CYS 17 20.562 20.885 17.060
107 H ASP 18 H ASP 18 22.722 20.172 20.750
108 HA ASP 18 HA ASP 18 21.486 21.794 22.825
109 HB2 ASP 18 HB3 ASP 18 21.694 18.661 22.817
110 HB3 ASP 18 HB2 ASP 18 21.775 19.459 24.340
Start of MODEL 11
1 H1 GLU 1 H1 GLU 1 19.258 24.000 17.394
2 H2 GLU 1 H2 GLU 1 18.276 23.756 18.763
3 H3 GLU 1 H3 GLU 1 19.249 25.093 18.656
4 HA GLU 1 HA GLU 1 17.028 25.729 18.203
5 HB2 GLU 1 HB3 GLU 1 19.061 26.615 16.706
6 HB3 GLU 1 HB2 GLU 1 18.448 25.540 15.459
7 HG2 GLU 1 HG3 GLU 1 17.604 27.718 14.986
8 HG3 GLU 1 HG2 GLU 1 16.178 26.819 15.590
9 H GLY 2 H GLY 2 17.794 23.515 15.577
10 HA2 GLY 2 HA3 GLY 2 14.863 22.850 15.510
11 HA3 GLY 2 HA2 GLY 2 15.659 23.074 14.050
12 H CYS 3 H CYS 3 17.730 21.383 16.274
13 HA CYS 3 HA CYS 3 16.756 18.875 14.894
14 HB2 CYS 3 HB3 CYS 3 19.747 19.641 14.931
15 HB3 CYS 3 HB2 CYS 3 19.163 18.044 14.740
16 H CYS 4 H CYS 4 17.085 20.118 17.838
17 HA CYS 4 HA CYS 4 17.710 17.425 18.879
18 HB2 CYS 4 HB3 CYS 4 17.993 20.137 20.270
19 HB3 CYS 4 HB2 CYS 4 17.704 18.715 21.237
20 H SER 5 H SER 5 15.701 16.946 17.829
21 HA SER 5 HA SER 5 13.690 16.707 19.745
22 HB2 SER 5 HB3 SER 5 12.767 18.813 19.507
23 HB3 SER 5 HB2 SER 5 13.374 19.073 17.905
24 HG SER 5 HG SER 5 11.623 18.213 17.106
25 H ASN 6 H ASN 6 14.096 16.521 16.148
26 HA ASN 6 HA ASN 6 12.608 14.127 16.314
27 HB2 ASN 6 HB3 ASN 6 14.315 15.331 13.943
28 HB3 ASN 6 HB2 ASN 6 13.434 13.897 13.693
29 HD21 ASN 6 HD21 ASN 6 12.857 15.920 12.147
30 HD22 ASN 6 HD22 ASN 6 11.317 16.646 12.544
31 HA PRO 7 HA PRO 7 16.581 12.254 17.172
32 HB2 PRO 7 HB3 PRO 7 15.977 9.612 17.708
33 HB3 PRO 7 HB2 PRO 7 15.607 10.982 18.813
34 HG2 PRO 7 HG3 PRO 7 13.729 9.744 16.711
35 HG3 PRO 7 HG2 PRO 7 13.404 9.962 18.486
36 HD2 PRO 7 HD3 PRO 7 12.530 11.785 16.733
37 HD3 PRO 7 HD2 PRO 7 13.343 12.364 18.265
38 H ALA 8 H ALA 8 15.939 12.694 14.577
39 HA ALA 8 HA ALA 8 17.701 10.709 13.343
40 HB1 ALA 8 HB1 ALA 8 16.680 11.014 11.100
41 HB2 ALA 8 HB2 ALA 8 15.327 11.953 11.836
42 HB3 ALA 8 HB3 ALA 8 15.601 10.251 12.305
43 H CYS 9 H CYS 9 16.795 14.229 13.321
44 HA CYS 9 HA CYS 9 19.160 14.740 11.809
45 HB2 CYS 9 HB3 CYS 9 17.330 16.305 11.520
46 HB3 CYS 9 HB2 CYS 9 17.388 16.781 13.240
47 H ARG 10 H ARG 10 18.283 14.599 15.155
48 HA ARG 10 HA ARG 10 20.607 15.857 16.129
49 HB2 ARG 10 HB3 ARG 10 18.319 14.794 17.597
50 HB3 ARG 10 HB2 ARG 10 19.378 13.453 17.699
51 HG2 ARG 10 HG3 ARG 10 21.212 15.174 18.497
52 HG3 ARG 10 HG2 ARG 10 19.807 16.246 18.768
53 HD2 ARG 10 HD3 ARG 10 18.824 14.554 20.348
54 HD3 ARG 10 HD2 ARG 10 20.177 13.409 19.967
55 HE ARG 10 HE ARG 10 21.121 16.081 20.866
56 HH11 ARG 10 HH11 ARG 10 19.849 12.990 22.204
57 HH12 ARG 10 HH12 ARG 10 20.964 13.057 23.545
58 HH21 ARG 10 HH21 ARG 10 22.503 16.056 22.722
59 HH22 ARG 10 HH22 ARG 10 22.302 14.732 23.858
60 H THR 11 H THR 11 19.909 12.417 15.693
61 HA THR 11 HA THR 11 22.151 11.607 17.002
62 HB THR 11 HB THR 11 20.613 9.747 15.220
63 HG1 THR 11 HG1 THR 11 19.016 9.840 16.883
64 HG21 THR 11 HG21 THR 11 20.687 8.409 17.327
65 HG22 THR 11 HG22 THR 11 21.357 9.812 18.244
66 HG23 THR 11 HG23 THR 11 22.352 8.998 16.979
67 H ASN 12 H ASN 12 22.531 13.118 14.483
68 HA ASN 12 HA ASN 12 24.807 11.470 13.645
69 HB2 ASN 12 HB3 ASN 12 22.901 13.096 11.818
70 HB3 ASN 12 HB2 ASN 12 24.601 13.012 11.347
71 HD21 ASN 12 HD21 ASN 12 25.626 10.815 11.265
72 HD22 ASN 12 HD22 ASN 12 24.634 9.497 10.722
73 H HIS 13 H HIS 13 24.102 14.261 15.368
74 HA HIS 13 HA HIS 13 26.658 15.293 15.107
75 HB2 HIS 13 HB3 HIS 13 26.281 17.072 13.357
76 HB3 HIS 13 HB2 HIS 13 25.207 15.806 12.742
77 HD1 HIS 13 HD1 HIS 13 25.391 19.053 13.161
78 HD2 HIS 13 HD2 HIS 13 22.406 16.370 14.360
79 HE1 HIS 13 HE1 HIS 13 23.476 20.426 14.011
80 HE2 HIS 13 HE2 HIS 13 21.561 18.845 14.401
81 HA PRO 14 HA PRO 14 23.181 16.444 17.668
82 HB2 PRO 14 HB3 PRO 14 23.568 15.423 20.240
83 HB3 PRO 14 HB2 PRO 14 23.155 14.362 18.838
84 HG2 PRO 14 HG3 PRO 14 25.981 15.048 19.808
85 HG3 PRO 14 HG2 PRO 14 25.241 13.389 19.689
86 HD2 PRO 14 HD3 PRO 14 26.677 14.288 17.578
87 HD3 PRO 14 HD2 PRO 14 25.028 13.585 17.261
88 H GLU 15 H GLU 15 26.383 17.342 18.300
89 HA GLU 15 HA GLU 15 25.957 18.709 20.751
90 HB2 GLU 15 HB3 GLU 15 28.103 17.725 20.302
91 HB3 GLU 15 HB2 GLU 15 28.403 18.800 18.919
92 HG2 GLU 15 HG3 GLU 15 28.347 20.788 20.425
93 HG3 GLU 15 HG2 GLU 15 27.980 19.732 21.833
94 H VAL 16 H VAL 16 25.404 19.702 17.447
95 HA VAL 16 HA VAL 16 25.811 22.426 17.872
96 HB VAL 16 HB VAL 16 24.061 21.011 15.850
97 HG11 VAL 16 HG11 VAL 16 24.646 23.048 14.461
98 HG12 VAL 16 HG12 VAL 16 25.476 23.771 15.883
99 HG13 VAL 16 HG13 VAL 16 23.691 23.500 15.912
100 HG21 VAL 16 HG21 VAL 16 26.163 21.203 14.419
101 HG22 VAL 16 HG22 VAL 16 26.344 20.031 15.763
102 HG23 VAL 16 HG23 VAL 16 27.078 21.674 15.892
103 H CYS 17 H CYS 17 22.990 20.357 18.472
104 HA CYS 17 HA CYS 17 21.517 22.783 19.028
105 HB2 CYS 17 HB3 CYS 17 19.416 21.065 18.565
106 HB3 CYS 17 HB2 CYS 17 20.529 21.004 17.194
107 H ASP 18 H ASP 18 22.870 20.337 20.965
108 HA ASP 18 HA ASP 18 21.745 21.972 22.998
109 HB2 ASP 18 HB3 ASP 18 20.259 19.570 22.623
110 HB3 ASP 18 HB2 ASP 18 21.661 18.877 23.411
Start of MODEL 12
1 H1 GLU 1 H1 GLU 1 14.759 25.008 19.238
2 H2 GLU 1 H2 GLU 1 16.315 25.309 19.757
3 H3 GLU 1 H3 GLU 1 15.793 23.707 19.606
4 HA GLU 1 HA GLU 1 15.853 25.591 17.381
5 HB2 GLU 1 HB3 GLU 1 18.108 23.697 18.374
6 HB3 GLU 1 HB2 GLU 1 18.171 24.479 16.788
7 HG2 GLU 1 HG3 GLU 1 19.572 25.745 18.054
8 HG3 GLU 1 HG2 GLU 1 18.117 26.752 17.860
9 H GLY 2 H GLY 2 17.154 23.427 15.770
10 HA2 GLY 2 HA3 GLY 2 14.504 22.112 15.251
11 HA3 GLY 2 HA2 GLY 2 15.278 22.860 13.954
12 H CYS 3 H CYS 3 17.700 21.264 15.800
13 HA CYS 3 HA CYS 3 16.839 18.672 14.517
14 HB2 CYS 3 HB3 CYS 3 19.844 19.438 14.784
15 HB3 CYS 3 HB2 CYS 3 19.255 17.891 14.444
16 H CYS 4 H CYS 4 17.700 20.249 17.359
17 HA CYS 4 HA CYS 4 17.837 17.651 18.702
18 HB2 CYS 4 HB3 CYS 4 18.348 20.483 19.821
19 HB3 CYS 4 HB2 CYS 4 17.908 19.208 20.902
20 H SER 5 H SER 5 15.830 17.084 17.913
21 HA SER 5 HA SER 5 13.693 17.662 19.667
22 HB2 SER 5 HB3 SER 5 12.096 18.668 17.968
23 HB3 SER 5 HB2 SER 5 13.481 19.730 18.294
24 HG SER 5 HG SER 5 13.028 19.536 16.120
25 H ASN 6 H ASN 6 14.157 16.584 16.325
26 HA ASN 6 HA ASN 6 12.527 14.279 16.978
27 HB2 ASN 6 HB3 ASN 6 13.544 15.370 14.193
28 HB3 ASN 6 HB2 ASN 6 12.490 14.038 14.236
29 HD21 ASN 6 HD21 ASN 6 10.525 14.762 16.190
30 HD22 ASN 6 HD22 ASN 6 9.744 16.197 15.602
31 HA PRO 7 HA PRO 7 16.600 12.485 16.994
32 HB2 PRO 7 HB3 PRO 7 16.167 9.781 17.432
33 HB3 PRO 7 HB2 PRO 7 16.012 11.082 18.669
34 HG2 PRO 7 HG3 PRO 7 13.755 9.937 16.913
35 HG3 PRO 7 HG2 PRO 7 13.807 10.031 18.730
36 HD2 PRO 7 HD3 PRO 7 12.571 11.942 17.378
37 HD3 PRO 7 HD2 PRO 7 13.752 12.460 18.672
38 H ALA 8 H ALA 8 15.712 13.079 14.512
39 HA ALA 8 HA ALA 8 16.958 10.950 12.905
40 HB1 ALA 8 HB1 ALA 8 14.695 12.808 11.969
41 HB2 ALA 8 HB2 ALA 8 14.638 11.063 12.308
42 HB3 ALA 8 HB3 ALA 8 15.634 11.650 10.948
43 H CYS 9 H CYS 9 16.844 14.517 13.345
44 HA CYS 9 HA CYS 9 19.205 14.660 11.634
45 HB2 CYS 9 HB3 CYS 9 17.562 16.364 11.211
46 HB3 CYS 9 HB2 CYS 9 17.581 16.900 12.910
47 H ARG 10 H ARG 10 18.293 14.735 14.964
48 HA ARG 10 HA ARG 10 20.642 15.924 15.911
49 HB2 ARG 10 HB3 ARG 10 18.323 15.002 17.385
50 HB3 ARG 10 HB2 ARG 10 19.370 13.641 17.593
51 HG2 ARG 10 HG3 ARG 10 21.187 15.329 18.407
52 HG3 ARG 10 HG2 ARG 10 19.835 16.504 18.445
53 HD2 ARG 10 HD3 ARG 10 18.574 14.927 19.994
54 HD3 ARG 10 HD2 ARG 10 19.976 13.795 19.948
55 HE ARG 10 HE ARG 10 20.024 16.638 21.039
56 HH11 ARG 10 HH11 ARG 10 21.472 13.370 21.220
57 HH12 ARG 10 HH12 ARG 10 21.841 13.578 22.906
58 HH21 ARG 10 HH21 ARG 10 20.590 16.842 23.186
59 HH22 ARG 10 HH22 ARG 10 21.437 15.552 23.977
60 H THR 11 H THR 11 19.906 12.537 15.469
61 HA THR 11 HA THR 11 21.870 11.587 17.060
62 HB THR 11 HB THR 11 20.471 9.914 14.984
63 HG1 THR 11 HG1 THR 11 18.641 10.121 16.061
64 HG21 THR 11 HG21 THR 11 21.032 9.690 18.032
65 HG22 THR 11 HG22 THR 11 21.882 8.760 16.734
66 HG23 THR 11 HG23 THR 11 20.131 8.480 17.045
67 H ASN 12 H ASN 12 22.813 13.073 14.693
68 HA ASN 12 HA ASN 12 25.057 11.255 14.206
69 HB2 ASN 12 HB3 ASN 12 23.478 12.854 12.059
70 HB3 ASN 12 HB2 ASN 12 25.199 12.550 11.759
71 HD21 ASN 12 HD21 ASN 12 25.951 10.188 12.143
72 HD22 ASN 12 HD22 ASN 12 24.829 8.931 11.707
73 H HIS 13 H HIS 13 24.276 14.285 15.558
74 HA HIS 13 HA HIS 13 26.914 15.128 15.390
75 HB2 HIS 13 HB3 HIS 13 26.691 16.688 13.407
76 HB3 HIS 13 HB2 HIS 13 25.436 15.525 12.976
77 HD1 HIS 13 HD1 HIS 13 26.060 18.843 13.644
78 HD2 HIS 13 HD2 HIS 13 22.700 16.377 13.961
79 HE1 HIS 13 HE1 HIS 13 24.091 20.380 14.013
80 HE2 HIS 13 HE2 HIS 13 22.068 18.967 13.999
81 HA PRO 14 HA PRO 14 23.435 16.553 17.784
82 HB2 PRO 14 HB3 PRO 14 23.507 15.449 20.332
83 HB3 PRO 14 HB2 PRO 14 23.041 14.500 18.866
84 HG2 PRO 14 HG3 PRO 14 25.862 14.711 20.053
85 HG3 PRO 14 HG2 PRO 14 24.907 13.190 19.768
86 HD2 PRO 14 HD3 PRO 14 26.621 14.003 17.817
87 HD3 PRO 14 HD2 PRO 14 24.934 13.502 17.392
88 H GLU 15 H GLU 15 26.699 17.076 18.494
89 HA GLU 15 HA GLU 15 26.484 18.548 20.901
90 HB2 GLU 15 HB3 GLU 15 28.568 17.495 20.508
91 HB3 GLU 15 HB2 GLU 15 28.817 18.320 18.960
92 HG2 GLU 15 HG3 GLU 15 28.847 20.554 20.282
93 HG3 GLU 15 HG2 GLU 15 28.918 19.537 21.764
94 H VAL 16 H VAL 16 25.895 19.445 17.552
95 HA VAL 16 HA VAL 16 26.319 22.182 17.926
96 HB VAL 16 HB VAL 16 24.546 20.640 16.002
97 HG11 VAL 16 HG11 VAL 16 25.317 23.630 16.036
98 HG12 VAL 16 HG12 VAL 16 23.641 22.954 16.167
99 HG13 VAL 16 HG13 VAL 16 24.567 22.745 14.654
100 HG21 VAL 16 HG21 VAL 16 26.444 21.226 14.437
101 HG22 VAL 16 HG22 VAL 16 27.013 20.203 15.802
102 HG23 VAL 16 HG23 VAL 16 27.336 21.971 15.806
103 H CYS 17 H CYS 17 23.296 20.251 18.249
104 HA CYS 17 HA CYS 17 22.040 22.769 18.797
105 HB2 CYS 17 HB3 CYS 17 19.832 21.207 18.241
106 HB3 CYS 17 HB2 CYS 17 21.008 21.046 16.938
107 H ASP 18 H ASP 18 22.972 20.197 20.720
108 HA ASP 18 HA ASP 18 21.695 21.776 22.782
109 HB2 ASP 18 HB3 ASP 18 22.151 18.643 22.843
110 HB3 ASP 18 HB2 ASP 18 22.093 19.484 24.333
Start of MODEL 13
1 H1 GLU 1 H1 GLU 1 15.253 26.055 17.886
2 H2 GLU 1 H2 GLU 1 15.038 24.446 18.282
3 H3 GLU 1 H3 GLU 1 13.952 25.232 17.269
4 HA GLU 1 HA GLU 1 15.643 25.469 15.588
5 HB2 GLU 1 HB3 GLU 1 17.257 23.825 17.666
6 HB3 GLU 1 HB2 GLU 1 17.843 24.024 16.010
7 HG2 GLU 1 HG3 GLU 1 17.910 26.521 16.326
8 HG3 GLU 1 HG2 GLU 1 17.429 26.304 18.051
9 H GLY 2 H GLY 2 16.346 23.692 14.152
10 HA2 GLY 2 HA3 GLY 2 14.187 21.614 14.339
11 HA3 GLY 2 HA2 GLY 2 14.791 22.046 12.845
12 H CYS 3 H CYS 3 17.440 21.649 15.050
13 HA CYS 3 HA CYS 3 17.381 18.707 14.444
14 HB2 CYS 3 HB3 CYS 3 19.997 20.348 14.252
15 HB3 CYS 3 HB2 CYS 3 19.899 18.648 14.303
16 H CYS 4 H CYS 4 16.845 20.576 16.742
17 HA CYS 4 HA CYS 4 17.846 18.520 18.577
18 HB2 CYS 4 HB3 CYS 4 18.746 21.102 18.709
19 HB3 CYS 4 HB2 CYS 4 17.235 21.377 19.564
20 H SER 5 H SER 5 15.839 17.365 17.937
21 HA SER 5 HA SER 5 13.927 17.600 19.858
22 HB2 SER 5 HB3 SER 5 11.921 18.490 18.560
23 HB3 SER 5 HB2 SER 5 13.118 19.746 18.912
24 HG SER 5 HG SER 5 12.538 19.925 16.835
25 H ASN 6 H ASN 6 14.076 17.021 16.411
26 HA ASN 6 HA ASN 6 12.637 14.597 16.566
27 HB2 ASN 6 HB3 ASN 6 14.509 15.751 14.297
28 HB3 ASN 6 HB2 ASN 6 13.837 14.207 14.084
29 HD21 ASN 6 HD21 ASN 6 11.490 13.900 14.208
30 HD22 ASN 6 HD22 ASN 6 10.547 15.163 13.469
31 HA PRO 7 HA PRO 7 16.234 12.533 18.016
32 HB2 PRO 7 HB3 PRO 7 14.872 10.096 16.703
33 HB3 PRO 7 HB2 PRO 7 15.910 10.086 18.185
34 HG2 PRO 7 HG3 PRO 7 13.183 10.268 18.434
35 HG3 PRO 7 HG2 PRO 7 14.247 11.382 19.421
36 HD2 PRO 7 HD3 PRO 7 12.610 11.986 16.978
37 HD3 PRO 7 HD2 PRO 7 13.057 13.034 18.409
38 H ALA 8 H ALA 8 15.405 12.724 14.866
39 HA ALA 8 HA ALA 8 17.368 10.958 13.700
40 HB1 ALA 8 HB1 ALA 8 15.130 12.540 12.280
41 HB2 ALA 8 HB2 ALA 8 15.127 10.842 12.853
42 HB3 ALA 8 HB3 ALA 8 16.245 11.327 11.561
43 H CYS 9 H CYS 9 16.951 14.555 13.651
44 HA CYS 9 HA CYS 9 19.380 14.650 12.072
45 HB2 CYS 9 HB3 CYS 9 17.686 16.341 11.620
46 HB3 CYS 9 HB2 CYS 9 17.858 17.007 13.257
47 H ARG 10 H ARG 10 18.360 14.764 15.297
48 HA ARG 10 HA ARG 10 20.480 15.968 16.575
49 HB2 ARG 10 HB3 ARG 10 18.143 14.921 17.749
50 HB3 ARG 10 HB2 ARG 10 19.033 13.412 17.666
51 HG2 ARG 10 HG3 ARG 10 20.825 14.476 19.134
52 HG3 ARG 10 HG2 ARG 10 19.800 15.946 19.189
53 HD2 ARG 10 HD3 ARG 10 17.993 14.753 20.320
54 HD3 ARG 10 HD2 ARG 10 18.831 13.161 20.126
55 HE ARG 10 HE ARG 10 19.727 15.453 21.889
56 HH11 ARG 10 HH21 ARG 10 20.540 12.102 20.756
57 HH12 ARG 10 HH22 ARG 10 21.849 12.053 21.898
58 HH21 ARG 10 HH11 ARG 10 20.899 14.994 23.561
59 HH22 ARG 10 HH12 ARG 10 21.823 13.526 23.754
60 H THR 11 H THR 11 20.166 12.473 16.200
61 HA THR 11 HA THR 11 22.564 11.727 17.298
62 HB THR 11 HB THR 11 20.565 10.424 16.827
63 HG1 THR 11 HG1 THR 11 22.693 9.098 15.586
64 HG21 THR 11 HG21 THR 11 20.243 9.331 14.639
65 HG22 THR 11 HG22 THR 11 21.614 10.247 13.916
66 HG23 THR 11 HG23 THR 11 20.127 11.111 14.466
67 H ASN 12 H ASN 12 22.216 13.422 14.601
68 HA ASN 12 HA ASN 12 24.510 12.198 13.179
69 HB2 ASN 12 HB3 ASN 12 22.062 12.452 11.912
70 HB3 ASN 12 HB2 ASN 12 22.598 14.141 11.729
71 HD21 ASN 12 HD21 ASN 12 23.821 14.487 9.875
72 HD22 ASN 12 HD22 ASN 12 24.733 13.261 9.060
73 H HIS 13 H HIS 13 23.930 14.662 15.165
74 HA HIS 13 HA HIS 13 26.309 15.922 14.549
75 HB2 HIS 13 HB3 HIS 13 25.515 18.058 13.405
76 HB3 HIS 13 HB2 HIS 13 24.446 16.857 12.693
77 HD1 HIS 13 HD1 HIS 13 24.424 19.967 13.837
78 HD2 HIS 13 HD2 HIS 13 21.999 16.737 14.975
79 HE1 HIS 13 HE1 HIS 13 22.778 20.839 15.505
80 HE2 HIS 13 HE2 HIS 13 21.211 18.894 16.045
81 HA PRO 14 HA PRO 14 23.504 16.362 18.018
82 HB2 PRO 14 HB3 PRO 14 24.483 14.873 20.186
83 HB3 PRO 14 HB2 PRO 14 23.604 14.158 18.794
84 HG2 PRO 14 HG3 PRO 14 26.665 14.438 19.061
85 HG3 PRO 14 HG2 PRO 14 25.702 12.926 18.740
86 HD2 PRO 14 HD3 PRO 14 26.719 14.313 16.626
87 HD3 PRO 14 HD2 PRO 14 24.992 13.723 16.593
88 H GLU 15 H GLU 15 26.869 17.062 18.188
89 HA GLU 15 HA GLU 15 26.927 18.322 20.700
90 HB2 GLU 15 HB3 GLU 15 28.995 17.542 19.751
91 HB3 GLU 15 HB2 GLU 15 28.869 18.631 18.352
92 HG2 GLU 15 HG3 GLU 15 30.472 19.541 19.801
93 HG3 GLU 15 HG2 GLU 15 29.052 20.615 19.868
94 H VAL 16 H VAL 16 25.615 19.473 17.624
95 HA VAL 16 HA VAL 16 25.800 22.190 18.591
96 HB VAL 16 HB VAL 16 24.347 21.498 16.079
97 HG11 VAL 16 HG11 VAL 16 25.466 23.611 15.397
98 HG12 VAL 16 HG12 VAL 16 26.445 23.615 16.907
99 HG13 VAL 16 HG13 VAL 16 24.671 23.891 16.997
100 HG21 VAL 16 HG21 VAL 16 26.286 19.999 15.810
101 HG22 VAL 16 HG22 VAL 16 27.402 21.255 16.495
102 HG23 VAL 16 HG23 VAL 16 26.603 21.526 14.924
103 H CYS 17 H CYS 17 24.062 19.776 19.459
104 HA CYS 17 HA CYS 17 21.670 21.357 19.955
105 HB2 CYS 17 HB3 CYS 17 20.753 19.632 18.173
106 HB3 CYS 17 HB2 CYS 17 21.885 18.509 18.706
107 H ASP 18 H ASP 18 23.249 18.419 21.351
108 HA ASP 18 HA ASP 18 22.030 19.559 23.738
109 HB2 ASP 18 HB3 ASP 18 22.301 16.510 22.976
110 HB3 ASP 18 HB2 ASP 18 22.399 16.933 24.633
Start of MODEL 14
1 H1 GLU 1 H1 GLU 1 19.402 26.338 16.600
2 H2 GLU 1 H2 GLU 1 20.447 25.064 16.383
3 H3 GLU 1 H3 GLU 1 20.440 25.937 17.842
4 HA GLU 1 HA GLU 1 19.295 23.665 17.776
5 HB2 GLU 1 HB3 GLU 1 17.959 26.268 18.738
6 HB3 GLU 1 HB2 GLU 1 17.212 24.706 19.106
7 HG2 GLU 1 HG3 GLU 1 19.300 23.947 20.279
8 HG3 GLU 1 HG2 GLU 1 20.053 25.552 19.996
9 H GLY 2 H GLY 2 18.783 22.868 15.810
10 HA2 GLY 2 HA3 GLY 2 15.912 23.416 15.150
11 HA3 GLY 2 HA2 GLY 2 16.941 23.123 13.840
12 H CYS 3 H CYS 3 18.127 20.974 16.139
13 HA CYS 3 HA CYS 3 16.168 18.996 14.975
14 HB2 CYS 3 HB3 CYS 3 19.219 18.491 14.861
15 HB3 CYS 3 HB2 CYS 3 18.024 17.324 14.555
16 H CYS 4 H CYS 4 17.133 20.063 17.797
17 HA CYS 4 HA CYS 4 17.468 17.408 18.925
18 HB2 CYS 4 HB3 CYS 4 17.642 20.157 20.294
19 HB3 CYS 4 HB2 CYS 4 17.332 18.758 21.259
20 H SER 5 H SER 5 15.540 16.695 18.023
21 HA SER 5 HA SER 5 13.600 16.424 20.001
22 HB2 SER 5 HB3 SER 5 11.566 17.340 18.805
23 HB3 SER 5 HB2 SER 5 12.712 18.625 19.248
24 HG SER 5 HG SER 5 11.870 18.751 17.155
25 H ASN 6 H ASN 6 13.789 16.281 16.469
26 HA ASN 6 HA ASN 6 12.538 13.760 16.502
27 HB2 ASN 6 HB3 ASN 6 13.991 15.289 14.170
28 HB3 ASN 6 HB2 ASN 6 13.448 13.718 13.864
29 HD21 ASN 6 HD21 ASN 6 12.157 16.835 15.149
30 HD22 ASN 6 HD22 ASN 6 10.511 16.512 14.651
31 HA PRO 7 HA PRO 7 16.301 11.955 17.565
32 HB2 PRO 7 HB3 PRO 7 15.970 9.173 16.823
33 HB3 PRO 7 HB2 PRO 7 15.674 9.985 18.406
34 HG2 PRO 7 HG3 PRO 7 13.719 9.499 16.091
35 HG3 PRO 7 HG2 PRO 7 13.439 9.284 17.874
36 HD2 PRO 7 HD3 PRO 7 12.492 11.438 16.698
37 HD3 PRO 7 HD2 PRO 7 13.448 11.696 18.229
38 H ALA 8 H ALA 8 15.730 12.150 14.278
39 HA ALA 8 HA ALA 8 18.010 10.433 13.589
40 HB1 ALA 8 HB1 ALA 8 15.650 11.215 11.816
41 HB2 ALA 8 HB2 ALA 8 15.966 9.655 12.623
42 HB3 ALA 8 HB3 ALA 8 17.078 10.221 11.341
43 H CYS 9 H CYS 9 16.878 13.757 13.061
44 HA CYS 9 HA CYS 9 19.364 14.381 11.729
45 HB2 CYS 9 HB3 CYS 9 17.558 15.742 11.029
46 HB3 CYS 9 HB2 CYS 9 17.145 16.262 12.677
47 H ARG 10 H ARG 10 18.054 14.434 14.929
48 HA ARG 10 HA ARG 10 20.095 15.948 16.098
49 HB2 ARG 10 HB3 ARG 10 17.734 14.864 17.323
50 HB3 ARG 10 HB2 ARG 10 18.753 13.485 17.516
51 HG2 ARG 10 HG3 ARG 10 20.343 14.790 18.919
52 HG3 ARG 10 HG2 ARG 10 19.354 16.259 18.642
53 HD2 ARG 10 HD3 ARG 10 17.373 15.082 19.686
54 HD3 ARG 10 HD2 ARG 10 18.438 13.657 20.044
55 HE ARG 10 HE ARG 10 19.923 15.445 21.281
56 HH11 ARG 10 HH11 ARG 10 16.348 15.230 21.513
57 HH12 ARG 10 HH12 ARG 10 16.320 16.183 22.941
58 HH21 ARG 10 HH21 ARG 10 19.758 16.893 22.964
59 HH22 ARG 10 HH22 ARG 10 18.266 17.252 23.730
60 H THR 11 H THR 11 19.891 12.424 16.081
61 HA THR 11 HA THR 11 22.220 11.910 17.369
62 HB THR 11 HB THR 11 20.365 10.399 16.714
63 HG1 THR 11 HG1 THR 11 22.934 9.384 16.114
64 HG21 THR 11 HG21 THR 11 20.436 9.155 14.621
65 HG22 THR 11 HG22 THR 11 21.946 9.976 14.084
66 HG23 THR 11 HG23 THR 11 20.399 10.903 14.225
67 H ASN 12 H ASN 12 22.059 13.396 14.536
68 HA ASN 12 HA ASN 12 24.494 12.153 13.422
69 HB2 ASN 12 HB3 ASN 12 22.127 12.666 11.906
70 HB3 ASN 12 HB2 ASN 12 23.142 14.059 11.501
71 HD21 ASN 12 HD21 ASN 12 25.759 12.863 11.488
72 HD22 ASN 12 HD22 ASN 12 25.764 11.512 10.384
73 H HIS 13 H HIS 13 23.422 15.056 14.937
74 HA HIS 13 HA HIS 13 26.075 16.068 14.781
75 HB2 HIS 13 HB3 HIS 13 25.604 17.976 13.173
76 HB3 HIS 13 HB2 HIS 13 24.524 16.701 12.551
77 HD1 HIS 13 HD1 HIS 13 24.569 20.033 13.524
78 HD2 HIS 13 HD2 HIS 13 21.748 16.968 13.443
79 HE1 HIS 13 HE1 HIS 13 22.454 21.026 14.396
80 HE2 HIS 13 HE2 HIS 13 20.659 19.330 13.857
81 HA PRO 14 HA PRO 14 22.839 16.737 17.706
82 HB2 PRO 14 HB3 PRO 14 23.573 15.473 20.112
83 HB3 PRO 14 HB2 PRO 14 22.826 14.623 18.712
84 HG2 PRO 14 HG3 PRO 14 25.843 14.910 19.304
85 HG3 PRO 14 HG2 PRO 14 24.905 13.385 18.967
86 HD2 PRO 14 HD3 PRO 14 26.223 14.584 16.950
87 HD3 PRO 14 HD2 PRO 14 24.509 14.033 16.697
88 H GLU 15 H GLU 15 26.159 17.439 18.253
89 HA GLU 15 HA GLU 15 25.797 18.770 20.762
90 HB2 GLU 15 HB3 GLU 15 27.944 17.569 20.043
91 HB3 GLU 15 HB2 GLU 15 28.277 18.962 18.992
92 HG2 GLU 15 HG3 GLU 15 27.985 20.396 21.229
93 HG3 GLU 15 HG2 GLU 15 28.034 18.813 22.064
94 H VAL 16 H VAL 16 25.184 19.667 17.511
95 HA VAL 16 HA VAL 16 25.723 22.448 17.964
96 HB VAL 16 HB VAL 16 24.248 21.235 15.636
97 HG11 VAL 16 HG11 VAL 16 26.090 23.702 16.050
98 HG12 VAL 16 HG12 VAL 16 24.304 23.765 15.802
99 HG13 VAL 16 HG13 VAL 16 25.379 23.183 14.483
100 HG21 VAL 16 HG21 VAL 16 26.316 19.896 15.830
101 HG22 VAL 16 HG22 VAL 16 27.283 21.375 16.227
102 HG23 VAL 16 HG23 VAL 16 26.586 21.149 14.590
103 H CYS 17 H CYS 17 23.183 20.281 18.664
104 HA CYS 17 HA CYS 17 21.654 22.611 19.378
105 HB2 CYS 17 HB3 CYS 17 19.432 21.087 18.939
106 HB3 CYS 17 HB2 CYS 17 20.421 21.011 17.483
107 H ASP 18 H ASP 18 22.231 19.403 20.735
108 HA ASP 18 HA ASP 18 21.040 19.767 22.980
109 HB2 ASP 18 HB3 ASP 18 24.083 18.960 22.722
110 HB3 ASP 18 HB2 ASP 18 23.340 18.782 24.240
Start of MODEL 15
1 H1 GLU 1 H1 GLU 1 16.595 25.825 15.294
2 H2 GLU 1 H2 GLU 1 16.797 26.714 16.709
3 H3 GLU 1 H3 GLU 1 15.390 26.853 15.800
4 HA GLU 1 HA GLU 1 16.258 24.664 17.524
5 HB2 GLU 1 HB3 GLU 1 13.564 26.171 17.062
6 HB3 GLU 1 HB2 GLU 1 13.796 25.022 18.379
7 HG2 GLU 1 HG3 GLU 1 15.453 26.595 19.452
8 HG3 GLU 1 HG2 GLU 1 15.234 27.757 18.089
9 H GLY 2 H GLY 2 16.672 23.459 15.513
10 HA2 GLY 2 HA3 GLY 2 14.104 22.304 14.470
11 HA3 GLY 2 HA2 GLY 2 15.317 22.607 13.345
12 H CYS 3 H CYS 3 17.204 21.480 15.826
13 HA CYS 3 HA CYS 3 16.584 18.689 14.848
14 HB2 CYS 3 HB3 CYS 3 19.501 19.727 15.054
15 HB3 CYS 3 HB2 CYS 3 19.037 18.131 14.742
16 H CYS 4 H CYS 4 16.736 20.444 17.631
17 HA CYS 4 HA CYS 4 18.168 18.345 18.954
18 HB2 CYS 4 HB3 CYS 4 16.668 20.789 20.234
19 HB3 CYS 4 HB2 CYS 4 17.924 19.937 21.065
20 H SER 5 H SER 5 16.041 17.156 18.061
21 HA SER 5 HA SER 5 14.452 16.416 20.247
22 HB2 SER 5 HB3 SER 5 12.231 17.484 19.528
23 HB3 SER 5 HB2 SER 5 13.400 18.647 20.187
24 HG SER 5 HG SER 5 13.201 19.654 18.469
25 H ASN 6 H ASN 6 14.062 17.015 16.772
26 HA ASN 6 HA ASN 6 12.740 14.652 16.352
27 HB2 ASN 6 HB3 ASN 6 14.567 16.273 14.379
28 HB3 ASN 6 HB2 ASN 6 13.564 15.018 13.744
29 HD21 ASN 6 HD21 ASN 6 13.487 17.873 13.274
30 HD22 ASN 6 HD22 ASN 6 11.883 18.415 13.718
31 HA PRO 7 HA PRO 7 16.190 12.379 17.565
32 HB2 PRO 7 HB3 PRO 7 15.079 10.095 15.830
33 HB3 PRO 7 HB2 PRO 7 15.935 9.947 17.426
34 HG2 PRO 7 HG3 PRO 7 13.203 10.014 17.370
35 HG3 PRO 7 HG2 PRO 7 14.083 11.057 18.578
36 HD2 PRO 7 HD3 PRO 7 12.785 11.850 15.957
37 HD3 PRO 7 HD2 PRO 7 12.920 12.714 17.571
38 H ALA 8 H ALA 8 15.750 12.611 14.246
39 HA ALA 8 HA ALA 8 18.057 10.984 13.496
40 HB1 ALA 8 HB1 ALA 8 15.783 12.055 11.721
41 HB2 ALA 8 HB2 ALA 8 15.937 10.408 12.421
42 HB3 ALA 8 HB3 ALA 8 17.122 10.974 11.205
43 H CYS 9 H CYS 9 17.070 14.390 13.348
44 HA CYS 9 HA CYS 9 19.520 14.978 11.887
45 HB2 CYS 9 HB3 CYS 9 17.716 16.389 11.279
46 HB3 CYS 9 HB2 CYS 9 17.432 16.945 12.935
47 H ARG 10 H ARG 10 18.215 15.031 15.110
48 HA ARG 10 HA ARG 10 20.348 16.161 16.421
49 HB2 ARG 10 HB3 ARG 10 17.872 15.115 17.486
50 HB3 ARG 10 HB2 ARG 10 18.816 13.673 17.576
51 HG2 ARG 10 HG3 ARG 10 20.441 14.989 19.124
52 HG3 ARG 10 HG2 ARG 10 19.290 16.361 18.909
53 HD2 ARG 10 HD3 ARG 10 17.449 14.602 19.617
54 HD3 ARG 10 HD2 ARG 10 18.837 13.684 20.326
55 HE ARG 10 HE ARG 10 19.105 16.396 21.249
56 HH11 ARG 10 HH11 ARG 10 16.660 13.793 21.545
57 HH12 ARG 10 HH12 ARG 10 16.079 14.429 23.046
58 HH21 ARG 10 HH21 ARG 10 18.306 17.141 23.141
59 HH22 ARG 10 HH22 ARG 10 16.983 16.365 23.962
60 H THR 11 H THR 11 19.887 12.655 16.043
61 HA THR 11 HA THR 11 22.258 12.145 17.450
62 HB THR 11 HB THR 11 20.126 10.805 17.152
63 HG1 THR 11 HG1 THR 11 22.550 9.376 17.019
64 HG21 THR 11 HG21 THR 11 20.218 10.536 14.643
65 HG22 THR 11 HG22 THR 11 20.128 8.979 15.537
66 HG23 THR 11 HG23 THR 11 21.687 9.504 14.823
67 H ASN 12 H ASN 12 22.077 13.420 14.716
68 HA ASN 12 HA ASN 12 24.184 11.859 13.347
69 HB2 ASN 12 HB3 ASN 12 21.957 12.695 11.972
70 HB3 ASN 12 HB2 ASN 12 22.822 14.245 11.914
71 HD21 ASN 12 HD21 ASN 12 22.504 13.645 9.596
72 HD22 ASN 12 HD22 ASN 12 23.745 12.688 8.837
73 H HIS 13 H HIS 13 23.779 14.642 15.284
74 HA HIS 13 HA HIS 13 26.470 15.403 15.012
75 HB2 HIS 13 HB3 HIS 13 26.119 17.338 13.410
76 HB3 HIS 13 HB2 HIS 13 24.795 16.285 12.891
77 HD1 HIS 13 HD1 HIS 13 25.532 19.482 13.834
78 HD2 HIS 13 HD2 HIS 13 22.203 17.005 14.445
79 HE1 HIS 13 HE1 HIS 13 23.751 20.908 14.838
80 HE2 HIS 13 HE2 HIS 13 21.667 19.583 14.831
81 HA PRO 14 HA PRO 14 23.398 16.487 18.009
82 HB2 PRO 14 HB3 PRO 14 23.783 14.987 20.340
83 HB3 PRO 14 HB2 PRO 14 23.001 14.343 18.859
84 HG2 PRO 14 HG3 PRO 14 25.986 14.131 19.586
85 HG3 PRO 14 HG2 PRO 14 24.848 12.776 19.158
86 HD2 PRO 14 HD3 PRO 14 26.413 13.855 17.213
87 HD3 PRO 14 HD2 PRO 14 24.655 13.529 16.903
88 H GLU 15 H GLU 15 26.796 16.682 18.545
89 HA GLU 15 HA GLU 15 26.671 18.052 21.036
90 HB2 GLU 15 HB3 GLU 15 28.647 16.755 20.463
91 HB3 GLU 15 HB2 GLU 15 29.027 17.816 19.104
92 HG2 GLU 15 HG3 GLU 15 29.294 19.755 20.759
93 HG3 GLU 15 HG2 GLU 15 28.952 18.587 22.086
94 H VAL 16 H VAL 16 26.140 19.120 17.714
95 HA VAL 16 HA VAL 16 26.530 21.858 18.514
96 HB VAL 16 HB VAL 16 25.259 20.667 16.066
97 HG11 VAL 16 HG11 VAL 16 24.401 22.983 16.456
98 HG12 VAL 16 HG12 VAL 16 25.676 23.037 15.190
99 HG13 VAL 16 HG13 VAL 16 26.065 23.560 16.861
100 HG21 VAL 16 HG21 VAL 16 27.452 21.441 15.036
101 HG22 VAL 16 HG22 VAL 16 27.679 20.110 16.219
102 HG23 VAL 16 HG23 VAL 16 28.066 21.814 16.681
103 H CYS 17 H CYS 17 23.756 19.626 18.180
104 HA CYS 17 HA CYS 17 22.076 21.922 18.674
105 HB2 CYS 17 HB3 CYS 17 21.331 19.753 17.114
106 HB3 CYS 17 HB2 CYS 17 20.614 19.263 18.646
107 H ASP 18 H ASP 18 22.882 19.044 20.622
108 HA ASP 18 HA ASP 18 21.279 20.335 22.643
109 HB2 ASP 18 HB3 ASP 18 22.386 17.365 22.635
110 HB3 ASP 18 HB2 ASP 18 22.127 18.130 24.136