Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
585561 | 2mif RC | 19677 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 HT1 HIS 1 -5.807 -4.213 -3.339
2 H2 HIS 1 HT2 HIS 1 -4.829 -3.041 -2.614
3 H3 HIS 1 HT3 HIS 1 -5.538 -2.734 -4.112
4 HA HIS 1 HA HIS 1 -7.735 -2.801 -3.128
5 HB2 HIS 1 HB2 HIS 1 -7.039 -4.347 -1.251
6 HB3 HIS 1 HB1 HIS 1 -6.280 -2.964 -0.477
7 HD1 HIS 1 HD1 HIS 1 -7.738 -1.528 0.976
8 HD2 HIS 1 HD2 HIS 1 -9.933 -4.091 -1.468
9 HE1 HIS 1 HE1 HIS 1 -10.123 -1.336 1.745
10 HE2 HIS 1 HE2 HIS 1 -11.449 -2.754 0.149
11 H GLU 2 HN GLU 2 -5.141 -1.406 -1.113
12 HA GLU 2 HA GLU 2 -6.176 1.255 -1.453
13 HB2 GLU 2 HB2 GLU 2 -4.183 -0.154 0.177
14 HB3 GLU 2 HB1 GLU 2 -3.715 1.466 -0.277
15 HG2 GLU 2 HG2 GLU 2 -4.869 1.334 1.904
16 HG3 GLU 2 HG1 GLU 2 -5.676 2.388 0.743
17 H VAL 3 HN VAL 3 -3.897 2.782 -1.773
18 HA VAL 3 HA VAL 3 -2.904 1.852 -4.378
19 HB VAL 3 HB VAL 3 -4.450 3.675 -4.729
20 HG11 VAL 3 HG11 VAL 3 -2.672 5.344 -2.962
21 HG12 VAL 3 HG12 VAL 3 -4.303 4.796 -2.579
22 HG13 VAL 3 HG13 VAL 3 -4.042 5.934 -3.902
23 HG21 VAL 3 HG21 VAL 3 -2.998 5.189 -5.998
24 HG22 VAL 3 HG22 VAL 3 -2.584 3.492 -6.243
25 HG23 VAL 3 HG23 VAL 3 -1.592 4.498 -5.187
26 HA PRO 4 HA PRO 4 0.940 2.590 -2.065
27 HB2 PRO 4 HB2 PRO 4 1.669 0.060 -1.705
28 HB3 PRO 4 HB1 PRO 4 0.363 0.747 -0.744
29 HG2 PRO 4 HG2 PRO 4 0.235 -1.196 -2.968
30 HG3 PRO 4 HG1 PRO 4 -0.880 -0.962 -1.612
31 HD2 PRO 4 HD2 PRO 4 -1.077 0.074 -4.298
32 HD3 PRO 4 HD1 PRO 4 -2.232 0.251 -2.962
33 H SER 5 HN SER 5 2.747 0.227 -2.813
34 HA SER 5 HA SER 5 3.324 1.038 -5.573
35 HB2 SER 5 HB2 SER 5 5.074 -0.623 -3.747
36 HB3 SER 5 HB1 SER 5 5.544 0.210 -5.226
37 HG SER 5 HG SER 5 4.652 2.127 -3.847
38 H GLY 6 HN GLY 6 1.146 -0.717 -4.736
39 HA2 GLY 6 HA2 GLY 6 0.517 -2.531 -6.333
40 HA3 GLY 6 HA1 GLY 6 2.034 -3.288 -5.874
41 HA PRO 7 HA PRO 7 0.174 -5.650 -2.730
42 HB2 PRO 7 HB2 PRO 7 1.851 -5.281 -0.579
43 HB3 PRO 7 HB1 PRO 7 2.187 -6.352 -1.944
44 HG2 PRO 7 HG2 PRO 7 3.121 -3.540 -1.468
45 HG3 PRO 7 HG1 PRO 7 4.044 -4.942 -2.053
46 HD2 PRO 7 HD2 PRO 7 3.166 -3.076 -3.739
47 HD3 PRO 7 HD1 PRO 7 3.127 -4.795 -4.189
48 H ASN 8 HN ASN 8 1.489 -3.193 -0.538
49 HA ASN 8 HA ASN 8 -1.175 -2.312 0.219
50 HB2 ASN 8 HB2 ASN 8 -0.722 -2.904 2.645
51 HB3 ASN 8 HB1 ASN 8 -1.062 -4.267 1.585
52 HD21 ASN 8 HD21 ASN 8 0.519 -5.752 1.167
53 HD22 ASN 8 HD22 ASN 8 2.036 -5.787 1.999
54 HA PRO 9 HA PRO 9 0.930 1.419 0.892
55 HB2 PRO 9 HB2 PRO 9 -0.662 2.681 2.678
56 HB3 PRO 9 HB1 PRO 9 -1.127 2.403 0.997
57 HG2 PRO 9 HG2 PRO 9 -1.940 0.928 3.460
58 HG3 PRO 9 HG1 PRO 9 -2.899 1.350 2.028
59 HD2 PRO 9 HD2 PRO 9 -1.830 -1.134 2.486
60 HD3 PRO 9 HD1 PRO 9 -2.210 -0.495 0.877
61 H SER 10 HN SER 10 2.252 -0.517 2.358
62 HA SER 10 HA SER 10 2.871 0.815 4.890
63 HB2 SER 10 HB2 SER 10 4.052 -1.715 3.707
64 HB3 SER 10 HB1 SER 10 4.281 -1.122 5.351
65 HG SER 10 HG SER 10 2.156 -2.477 4.232
66 H SER 11 HN SER 11 3.732 0.798 1.656
67 HA SER 11 HA SER 11 6.438 1.819 2.144
68 HB2 SER 11 HB2 SER 11 6.629 1.642 -0.354
69 HB3 SER 11 HB1 SER 11 6.297 0.103 0.441
70 HG SER 11 HG SER 11 4.537 1.752 -1.040
71 H ASN 12 HN ASN 12 3.459 3.002 2.162
72 HA ASN 12 HA ASN 12 4.240 5.586 1.050
73 HB2 ASN 12 HB2 ASN 12 1.690 4.101 0.372
74 HB3 ASN 12 HB1 ASN 12 1.957 5.807 0.026
75 HD21 ASN 12 HD21 ASN 12 3.364 6.396 -1.594
76 HD22 ASN 12 HD22 ASN 12 3.942 5.271 -2.775
Start of MODEL 2
1 H1 HIS 1 HT1 HIS 1 -6.241 4.475 -3.684
2 H2 HIS 1 HT2 HIS 1 -7.917 4.340 -3.841
3 H3 HIS 1 HT3 HIS 1 -7.020 3.057 -3.185
4 HA HIS 1 HA HIS 1 -7.372 5.748 -1.982
5 HB2 HIS 1 HB2 HIS 1 -8.486 3.030 -1.249
6 HB3 HIS 1 HB1 HIS 1 -8.521 4.416 -0.167
7 HD1 HIS 1 HD1 HIS 1 -10.294 2.881 -3.014
8 HD2 HIS 1 HD2 HIS 1 -10.232 6.546 -1.045
9 HE1 HIS 1 HE1 HIS 1 -12.372 4.088 -3.756
10 HE2 HIS 1 HE2 HIS 1 -12.356 6.265 -2.490
11 H GLU 2 HN GLU 2 -5.949 2.570 -1.892
12 HA GLU 2 HA GLU 2 -4.362 3.041 0.436
13 HB2 GLU 2 HB2 GLU 2 -3.185 0.923 -0.410
14 HB3 GLU 2 HB1 GLU 2 -4.870 0.779 0.054
15 HG2 GLU 2 HG2 GLU 2 -4.094 1.246 -2.799
16 HG3 GLU 2 HG1 GLU 2 -4.050 -0.369 -2.100
17 H VAL 3 HN VAL 3 -4.061 3.637 -2.945
18 HA VAL 3 HA VAL 3 -2.303 4.194 -4.313
19 HB VAL 3 HB VAL 3 -3.201 6.295 -3.494
20 HG11 VAL 3 HG11 VAL 3 -2.825 6.043 -1.113
21 HG12 VAL 3 HG12 VAL 3 -2.147 7.562 -1.700
22 HG13 VAL 3 HG13 VAL 3 -1.085 6.197 -1.357
23 HG21 VAL 3 HG21 VAL 3 -1.393 6.368 -5.104
24 HG22 VAL 3 HG22 VAL 3 -0.207 6.379 -3.799
25 HG23 VAL 3 HG23 VAL 3 -1.306 7.742 -4.006
26 HA PRO 4 HA PRO 4 1.145 2.404 -1.837
27 HB2 PRO 4 HB2 PRO 4 0.697 -0.163 -2.072
28 HB3 PRO 4 HB1 PRO 4 -0.499 0.819 -1.206
29 HG2 PRO 4 HG2 PRO 4 -0.635 -0.310 -3.962
30 HG3 PRO 4 HG1 PRO 4 -1.924 -0.108 -2.762
31 HD2 PRO 4 HD2 PRO 4 -1.214 1.685 -4.886
32 HD3 PRO 4 HD1 PRO 4 -2.450 1.924 -3.633
33 H SER 5 HN SER 5 2.559 0.210 -2.652
34 HA SER 5 HA SER 5 3.533 0.855 -5.312
35 HB2 SER 5 HB2 SER 5 5.128 0.268 -3.502
36 HB3 SER 5 HB1 SER 5 4.381 -1.323 -3.373
37 HG SER 5 HG SER 5 6.047 -0.277 -5.359
38 H GLY 6 HN GLY 6 1.210 -1.068 -3.853
39 HA2 GLY 6 HA2 GLY 6 -0.226 -2.226 -5.635
40 HA3 GLY 6 HA1 GLY 6 1.255 -3.125 -5.948
41 HA PRO 7 HA PRO 7 0.632 -6.008 -2.639
42 HB2 PRO 7 HB2 PRO 7 2.658 -5.501 -0.830
43 HB3 PRO 7 HB1 PRO 7 2.839 -6.460 -2.301
44 HG2 PRO 7 HG2 PRO 7 3.492 -3.567 -1.835
45 HG3 PRO 7 HG1 PRO 7 4.438 -4.807 -2.689
46 HD2 PRO 7 HD2 PRO 7 3.016 -3.027 -4.050
47 HD3 PRO 7 HD1 PRO 7 3.056 -4.727 -4.570
48 H ASN 8 HN ASN 8 1.716 -2.979 -1.061
49 HA ASN 8 HA ASN 8 -0.585 -3.078 0.729
50 HB2 ASN 8 HB2 ASN 8 1.185 -4.509 1.752
51 HB3 ASN 8 HB1 ASN 8 2.271 -3.126 1.742
52 HD21 ASN 8 HD21 ASN 8 2.548 -2.981 3.902
53 HD22 ASN 8 HD22 ASN 8 1.292 -2.568 5.016
54 HA PRO 9 HA PRO 9 -0.068 1.406 0.374
55 HB2 PRO 9 HB2 PRO 9 -1.598 1.963 2.612
56 HB3 PRO 9 HB1 PRO 9 -2.208 1.803 0.963
57 HG2 PRO 9 HG2 PRO 9 -2.244 -0.162 3.197
58 HG3 PRO 9 HG1 PRO 9 -3.441 0.115 1.917
59 HD2 PRO 9 HD2 PRO 9 -1.738 -1.981 1.888
60 HD3 PRO 9 HD1 PRO 9 -2.312 -1.197 0.403
61 H SER 10 HN SER 10 0.646 3.149 1.776
62 HA SER 10 HA SER 10 2.449 4.011 2.817
63 HB2 SER 10 HB2 SER 10 2.687 3.396 5.234
64 HB3 SER 10 HB1 SER 10 1.050 3.839 4.766
65 HG SER 10 HG SER 10 1.382 1.196 4.449
66 H SER 11 HN SER 11 2.858 1.634 1.143
67 HA SER 11 HA SER 11 5.534 0.961 2.128
68 HB2 SER 11 HB2 SER 11 3.643 -1.081 0.934
69 HB3 SER 11 HB1 SER 11 5.263 -1.380 1.563
70 HG SER 11 HG SER 11 3.110 -0.375 3.121
71 H ASN 12 HN ASN 12 5.707 2.793 0.508
72 HA ASN 12 HA ASN 12 6.507 1.663 -2.015
73 HB2 ASN 12 HB2 ASN 12 5.250 3.417 -3.336
74 HB3 ASN 12 HB1 ASN 12 4.260 2.135 -2.654
75 HD21 ASN 12 HD21 ASN 12 4.981 5.504 -2.651
76 HD22 ASN 12 HD22 ASN 12 3.691 5.994 -1.609
Start of MODEL 3
1 H1 HIS 1 HT1 HIS 1 -7.549 -2.574 -2.698
2 H2 HIS 1 HT2 HIS 1 -6.138 -1.785 -2.200
3 H3 HIS 1 HT3 HIS 1 -6.980 -1.231 -3.555
4 HA HIS 1 HA HIS 1 -8.850 -0.598 -2.216
5 HB2 HIS 1 HB2 HIS 1 -7.135 -1.606 0.067
6 HB3 HIS 1 HB1 HIS 1 -8.574 -0.621 0.282
7 HD1 HIS 1 HD1 HIS 1 -10.868 -1.757 -0.524
8 HD2 HIS 1 HD2 HIS 1 -7.593 -4.296 -0.169
9 HE1 HIS 1 HE1 HIS 1 -11.819 -4.086 -0.450
10 HE2 HIS 1 HE2 HIS 1 -9.819 -5.609 -0.294
11 H GLU 2 HN GLU 2 -5.685 -0.250 -0.636
12 HA GLU 2 HA GLU 2 -5.774 2.623 -0.964
13 HB2 GLU 2 HB2 GLU 2 -4.049 0.657 0.449
14 HB3 GLU 2 HB1 GLU 2 -3.298 2.173 -0.013
15 HG2 GLU 2 HG2 GLU 2 -5.763 1.835 1.685
16 HG3 GLU 2 HG1 GLU 2 -4.159 2.286 2.250
17 H VAL 3 HN VAL 3 -3.805 3.713 -1.938
18 HA VAL 3 HA VAL 3 -3.049 2.301 -4.410
19 HB VAL 3 HB VAL 3 -2.918 5.276 -3.879
20 HG11 VAL 3 HG11 VAL 3 -1.389 4.494 -5.614
21 HG12 VAL 3 HG12 VAL 3 -2.692 5.459 -6.306
22 HG13 VAL 3 HG13 VAL 3 -2.728 3.703 -6.447
23 HG21 VAL 3 HG21 VAL 3 -5.040 3.706 -5.338
24 HG22 VAL 3 HG22 VAL 3 -4.928 5.464 -5.268
25 HG23 VAL 3 HG23 VAL 3 -5.234 4.542 -3.797
26 HA PRO 4 HA PRO 4 0.867 2.617 -2.086
27 HB2 PRO 4 HB2 PRO 4 1.270 0.023 -1.705
28 HB3 PRO 4 HB1 PRO 4 -0.019 0.862 -0.836
29 HG2 PRO 4 HG2 PRO 4 -0.208 -1.078 -3.052
30 HG3 PRO 4 HG1 PRO 4 -1.404 -0.655 -1.817
31 HD2 PRO 4 HD2 PRO 4 -1.154 0.357 -4.526
32 HD3 PRO 4 HD1 PRO 4 -2.448 0.650 -3.345
33 H SER 5 HN SER 5 2.621 0.318 -2.552
34 HA SER 5 HA SER 5 3.694 1.000 -5.143
35 HB2 SER 5 HB2 SER 5 5.370 -0.840 -4.418
36 HB3 SER 5 HB1 SER 5 5.340 0.659 -3.488
37 HG SER 5 HG SER 5 5.171 -1.643 -2.444
38 H GLY 6 HN GLY 6 1.277 -0.909 -4.098
39 HA2 GLY 6 HA2 GLY 6 0.284 -2.213 -6.073
40 HA3 GLY 6 HA1 GLY 6 1.782 -3.131 -5.950
41 HA PRO 7 HA PRO 7 0.262 -5.765 -2.731
42 HB2 PRO 7 HB2 PRO 7 2.025 -5.342 -0.649
43 HB3 PRO 7 HB1 PRO 7 2.344 -6.387 -2.036
44 HG2 PRO 7 HG2 PRO 7 3.172 -3.533 -1.584
45 HG3 PRO 7 HG1 PRO 7 4.130 -4.893 -2.215
46 HD2 PRO 7 HD2 PRO 7 3.113 -3.086 -3.868
47 HD3 PRO 7 HD1 PRO 7 3.084 -4.811 -4.300
48 H ASN 8 HN ASN 8 1.594 -3.207 -0.669
49 HA ASN 8 HA ASN 8 -1.065 -2.559 0.354
50 HB2 ASN 8 HB2 ASN 8 1.193 -3.694 2.025
51 HB3 ASN 8 HB1 ASN 8 -0.196 -2.862 2.711
52 HD21 ASN 8 HD21 ASN 8 -2.185 -3.869 2.720
53 HD22 ASN 8 HD22 ASN 8 -2.375 -5.552 2.384
54 HA PRO 9 HA PRO 9 0.714 1.533 0.753
55 HB2 PRO 9 HB2 PRO 9 -0.701 2.430 2.903
56 HB3 PRO 9 HB1 PRO 9 -1.385 2.301 1.274
57 HG2 PRO 9 HG2 PRO 9 -1.553 0.333 3.543
58 HG3 PRO 9 HG1 PRO 9 -2.867 0.979 2.538
59 HD2 PRO 9 HD2 PRO 9 -1.870 -1.397 1.980
60 HD3 PRO 9 HD1 PRO 9 -2.198 -0.240 0.661
61 H SER 10 HN SER 10 2.519 -0.177 1.624
62 HA SER 10 HA SER 10 3.421 1.053 4.139
63 HB2 SER 10 HB2 SER 10 4.073 -1.747 3.181
64 HB3 SER 10 HB1 SER 10 4.559 -1.014 4.709
65 HG SER 10 HG SER 10 2.279 -0.854 5.199
66 H SER 11 HN SER 11 3.714 1.320 1.052
67 HA SER 11 HA SER 11 5.271 1.774 -0.518
68 HB2 SER 11 HB2 SER 11 7.231 3.182 0.354
69 HB3 SER 11 HB1 SER 11 5.603 3.799 0.612
70 HG SER 11 HG SER 11 6.565 2.195 2.645
71 H ASN 12 HN ASN 12 5.467 -0.777 -0.167
72 HA ASN 12 HA ASN 12 8.340 -1.321 0.099
73 HB2 ASN 12 HB2 ASN 12 7.724 -3.678 0.578
74 HB3 ASN 12 HB1 ASN 12 7.125 -2.552 1.784
75 HD21 ASN 12 HD21 ASN 12 6.267 -5.254 1.026
76 HD22 ASN 12 HD22 ASN 12 4.586 -5.127 0.651
Start of MODEL 4
1 H1 HIS 1 HT1 HIS 1 -6.440 0.590 -1.036
2 H2 HIS 1 HT2 HIS 1 -6.744 1.061 -2.629
3 H3 HIS 1 HT3 HIS 1 -7.914 0.199 -1.765
4 HA HIS 1 HA HIS 1 -8.504 2.520 -1.914
5 HB2 HIS 1 HB2 HIS 1 -9.190 1.257 0.074
6 HB3 HIS 1 HB1 HIS 1 -7.666 1.645 0.863
7 HD1 HIS 1 HD1 HIS 1 -7.709 3.636 2.343
8 HD2 HIS 1 HD2 HIS 1 -10.797 3.702 -0.445
9 HE1 HIS 1 HE1 HIS 1 -9.116 5.628 2.938
10 HE2 HIS 1 HE2 HIS 1 -11.063 5.556 1.344
11 H GLU 2 HN GLU 2 -5.265 1.931 -0.710
12 HA GLU 2 HA GLU 2 -4.830 4.808 -0.394
13 HB2 GLU 2 HB2 GLU 2 -4.182 3.115 1.387
14 HB3 GLU 2 HB1 GLU 2 -2.908 2.582 0.295
15 HG2 GLU 2 HG2 GLU 2 -2.078 4.154 1.966
16 HG3 GLU 2 HG1 GLU 2 -1.924 4.802 0.334
17 H VAL 3 HN VAL 3 -4.272 2.302 -2.607
18 HA VAL 3 HA VAL 3 -2.972 1.986 -4.426
19 HB VAL 3 HB VAL 3 -3.054 4.990 -4.457
20 HG11 VAL 3 HG11 VAL 3 -2.547 3.045 -6.711
21 HG12 VAL 3 HG12 VAL 3 -1.345 4.105 -5.976
22 HG13 VAL 3 HG13 VAL 3 -2.694 4.795 -6.878
23 HG21 VAL 3 HG21 VAL 3 -4.896 2.983 -5.731
24 HG22 VAL 3 HG22 VAL 3 -4.980 4.732 -5.942
25 HG23 VAL 3 HG23 VAL 3 -5.275 4.019 -4.356
26 HA PRO 4 HA PRO 4 1.045 2.826 -2.331
27 HB2 PRO 4 HB2 PRO 4 1.664 0.342 -1.636
28 HB3 PRO 4 HB1 PRO 4 0.417 1.221 -0.736
29 HG2 PRO 4 HG2 PRO 4 0.103 -0.863 -2.865
30 HG3 PRO 4 HG1 PRO 4 -0.780 -0.679 -1.339
31 HD2 PRO 4 HD2 PRO 4 -1.671 0.198 -3.817
32 HD3 PRO 4 HD1 PRO 4 -2.253 0.795 -2.251
33 H SER 5 HN SER 5 2.853 0.500 -2.780
34 HA SER 5 HA SER 5 3.627 1.050 -5.486
35 HB2 SER 5 HB2 SER 5 5.351 -0.746 -5.000
36 HB3 SER 5 HB1 SER 5 5.374 0.631 -3.897
37 HG SER 5 HG SER 5 4.791 -0.627 -2.308
38 H GLY 6 HN GLY 6 1.459 -1.029 -4.000
39 HA2 GLY 6 HA2 GLY 6 0.173 -2.216 -5.964
40 HA3 GLY 6 HA1 GLY 6 1.661 -3.154 -5.983
41 HA PRO 7 HA PRO 7 0.555 -5.809 -2.630
42 HB2 PRO 7 HB2 PRO 7 2.211 -5.045 -0.525
43 HB3 PRO 7 HB1 PRO 7 2.635 -6.180 -1.808
44 HG2 PRO 7 HG2 PRO 7 3.255 -3.259 -1.575
45 HG3 PRO 7 HG1 PRO 7 4.286 -4.586 -2.156
46 HD2 PRO 7 HD2 PRO 7 3.120 -2.931 -3.875
47 HD3 PRO 7 HD1 PRO 7 3.206 -4.673 -4.221
48 H ASN 8 HN ASN 8 1.452 -2.961 -0.699
49 HA ASN 8 HA ASN 8 -1.213 -2.395 0.185
50 HB2 ASN 8 HB2 ASN 8 -0.760 -4.519 1.410
51 HB3 ASN 8 HB1 ASN 8 0.682 -3.793 2.107
52 HD21 ASN 8 HD21 ASN 8 0.484 -2.403 3.827
53 HD22 ASN 8 HD22 ASN 8 -1.017 -2.111 4.635
54 HA PRO 9 HA PRO 9 0.909 1.443 1.118
55 HB2 PRO 9 HB2 PRO 9 -0.657 2.373 3.160
56 HB3 PRO 9 HB1 PRO 9 -1.083 2.473 1.446
57 HG2 PRO 9 HG2 PRO 9 -1.910 0.418 3.473
58 HG3 PRO 9 HG1 PRO 9 -2.919 1.296 2.304
59 HD2 PRO 9 HD2 PRO 9 -2.144 -1.186 1.780
60 HD3 PRO 9 HD1 PRO 9 -2.119 0.053 0.497
61 H SER 10 HN SER 10 2.249 -0.677 2.208
62 HA SER 10 HA SER 10 3.123 0.481 4.770
63 HB2 SER 10 HB2 SER 10 3.571 -2.342 3.763
64 HB3 SER 10 HB1 SER 10 4.034 -1.709 5.342
65 HG SER 10 HG SER 10 1.804 -1.391 5.776
66 H SER 11 HN SER 11 3.722 0.024 1.517
67 HA SER 11 HA SER 11 6.328 1.220 1.665
68 HB2 SER 11 HB2 SER 11 6.047 -1.560 0.475
69 HB3 SER 11 HB1 SER 11 7.485 -0.544 0.376
70 HG SER 11 HG SER 11 6.847 -0.660 2.921
71 H ASN 12 HN ASN 12 6.435 2.620 0.016
72 HA ASN 12 HA ASN 12 4.809 2.078 -2.375
73 HB2 ASN 12 HB2 ASN 12 3.649 3.729 -0.986
74 HB3 ASN 12 HB1 ASN 12 5.092 4.735 -0.953
75 HD21 ASN 12 HD21 ASN 12 5.628 5.946 -2.738
76 HD22 ASN 12 HD22 ASN 12 4.548 6.182 -4.069
Start of MODEL 5
1 H1 HIS 1 HT1 HIS 1 -6.200 -2.482 -3.833
2 H2 HIS 1 HT2 HIS 1 -5.551 -1.047 -4.448
3 H3 HIS 1 HT3 HIS 1 -7.020 -1.018 -3.620
4 HA HIS 1 HA HIS 1 -5.948 -1.654 -1.584
5 HB2 HIS 1 HB2 HIS 1 -3.455 -1.608 -3.301
6 HB3 HIS 1 HB1 HIS 1 -3.419 -1.598 -1.544
7 HD1 HIS 1 HD1 HIS 1 -2.846 -3.872 -4.087
8 HD2 HIS 1 HD2 HIS 1 -5.254 -4.005 -0.697
9 HE1 HIS 1 HE1 HIS 1 -3.250 -6.311 -3.635
10 HE2 HIS 1 HE2 HIS 1 -4.819 -6.361 -1.667
11 H GLU 2 HN GLU 2 -4.310 -0.062 -0.388
12 HA GLU 2 HA GLU 2 -5.486 2.511 -0.846
13 HB2 GLU 2 HB2 GLU 2 -5.007 1.471 1.418
14 HB3 GLU 2 HB1 GLU 2 -3.324 1.826 1.124
15 HG2 GLU 2 HG2 GLU 2 -4.364 3.519 2.532
16 HG3 GLU 2 HG1 GLU 2 -3.798 4.198 1.006
17 H VAL 3 HN VAL 3 -4.459 2.605 -3.034
18 HA VAL 3 HA VAL 3 -2.777 3.099 -4.519
19 HB VAL 3 HB VAL 3 -4.000 5.157 -4.052
20 HG11 VAL 3 HG11 VAL 3 -1.813 5.797 -2.085
21 HG12 VAL 3 HG12 VAL 3 -3.500 5.452 -1.699
22 HG13 VAL 3 HG13 VAL 3 -3.083 6.901 -2.615
23 HG21 VAL 3 HG21 VAL 3 -2.310 5.177 -5.772
24 HG22 VAL 3 HG22 VAL 3 -1.068 5.580 -4.587
25 HG23 VAL 3 HG23 VAL 3 -2.349 6.736 -4.949
26 HA PRO 4 HA PRO 4 1.033 2.448 -2.009
27 HB2 PRO 4 HB2 PRO 4 1.200 -0.201 -1.910
28 HB3 PRO 4 HB1 PRO 4 0.027 0.655 -0.894
29 HG2 PRO 4 HG2 PRO 4 -0.420 -0.962 -3.341
30 HG3 PRO 4 HG1 PRO 4 -1.495 -0.684 -1.961
31 HD2 PRO 4 HD2 PRO 4 -1.472 0.679 -4.490
32 HD3 PRO 4 HD1 PRO 4 -2.542 0.967 -3.103
33 H SER 5 HN SER 5 2.741 0.351 -2.736
34 HA SER 5 HA SER 5 3.400 1.022 -5.495
35 HB2 SER 5 HB2 SER 5 4.906 -0.805 -3.611
36 HB3 SER 5 HB1 SER 5 5.522 -0.005 -5.056
37 HG SER 5 HG SER 5 4.838 2.004 -3.796
38 H GLY 6 HN GLY 6 1.155 -0.778 -4.401
39 HA2 GLY 6 HA2 GLY 6 0.277 -2.410 -6.100
40 HA3 GLY 6 HA1 GLY 6 1.823 -3.223 -5.900
41 HA PRO 7 HA PRO 7 0.505 -5.836 -2.685
42 HB2 PRO 7 HB2 PRO 7 2.197 -5.228 -0.576
43 HB3 PRO 7 HB1 PRO 7 2.601 -6.289 -1.930
44 HG2 PRO 7 HG2 PRO 7 3.227 -3.381 -1.545
45 HG3 PRO 7 HG1 PRO 7 4.277 -4.684 -2.149
46 HD2 PRO 7 HD2 PRO 7 3.153 -2.983 -3.839
47 HD3 PRO 7 HD1 PRO 7 3.216 -4.715 -4.234
48 H ASN 8 HN ASN 8 1.520 -3.089 -0.670
49 HA ASN 8 HA ASN 8 -1.177 -2.530 0.200
50 HB2 ASN 8 HB2 ASN 8 -0.972 -3.260 2.448
51 HB3 ASN 8 HB1 ASN 8 -0.355 -4.604 1.494
52 HD21 ASN 8 HD21 ASN 8 0.333 -2.236 3.850
53 HD22 ASN 8 HD22 ASN 8 1.983 -2.675 4.145
54 HA PRO 9 HA PRO 9 0.578 1.416 0.707
55 HB2 PRO 9 HB2 PRO 9 -0.807 2.544 2.711
56 HB3 PRO 9 HB1 PRO 9 -1.548 2.111 1.161
57 HG2 PRO 9 HG2 PRO 9 -1.538 0.556 3.737
58 HG3 PRO 9 HG1 PRO 9 -2.922 0.963 2.695
59 HD2 PRO 9 HD2 PRO 9 -1.730 -1.431 2.548
60 HD3 PRO 9 HD1 PRO 9 -2.341 -0.604 1.099
61 H SER 10 HN SER 10 2.271 -0.469 2.061
62 HA SER 10 HA SER 10 3.273 1.220 4.230
63 HB2 SER 10 HB2 SER 10 4.351 -1.400 3.149
64 HB3 SER 10 HB1 SER 10 4.992 -0.527 4.539
65 HG SER 10 HG SER 10 2.911 -0.798 5.521
66 H SER 11 HN SER 11 3.685 0.421 0.928
67 HA SER 11 HA SER 11 4.847 1.329 -0.778
68 HB2 SER 11 HB2 SER 11 5.151 3.667 1.118
69 HB3 SER 11 HB1 SER 11 5.345 3.718 -0.635
70 HG SER 11 HG SER 11 3.064 3.744 0.877
71 H ASN 12 HN ASN 12 6.331 -0.311 1.090
72 HA ASN 12 HA ASN 12 8.985 0.911 0.848
73 HB2 ASN 12 HB2 ASN 12 9.623 -0.853 2.630
74 HB3 ASN 12 HB1 ASN 12 8.749 0.582 3.133
75 HD21 ASN 12 HD21 ASN 12 7.383 -2.266 1.533
76 HD22 ASN 12 HD22 ASN 12 6.383 -2.734 2.872
Start of MODEL 6
1 H1 HIS 1 HT1 HIS 1 -6.367 -0.929 -0.639
2 H2 HIS 1 HT2 HIS 1 -6.983 -0.295 -2.078
3 H3 HIS 1 HT3 HIS 1 -7.837 -1.498 -1.247
4 HA HIS 1 HA HIS 1 -8.879 0.610 -0.892
5 HB2 HIS 1 HB2 HIS 1 -8.956 0.620 1.519
6 HB3 HIS 1 HB1 HIS 1 -8.817 -1.043 0.979
7 HD1 HIS 1 HD1 HIS 1 -6.937 -2.395 1.950
8 HD2 HIS 1 HD2 HIS 1 -6.491 1.680 2.641
9 HE1 HIS 1 HE1 HIS 1 -5.001 -2.184 3.536
10 HE2 HIS 1 HE2 HIS 1 -4.864 0.274 4.072
11 H GLU 2 HN GLU 2 -5.505 0.620 -0.812
12 HA GLU 2 HA GLU 2 -5.530 3.548 -0.805
13 HB2 GLU 2 HB2 GLU 2 -4.606 2.615 1.362
14 HB3 GLU 2 HB1 GLU 2 -3.353 1.830 0.414
15 HG2 GLU 2 HG2 GLU 2 -2.660 3.964 1.490
16 HG3 GLU 2 HG1 GLU 2 -2.431 3.910 -0.257
17 H VAL 3 HN VAL 3 -3.667 4.397 -2.090
18 HA VAL 3 HA VAL 3 -2.958 2.498 -4.212
19 HB VAL 3 HB VAL 3 -2.472 5.474 -4.239
20 HG11 VAL 3 HG11 VAL 3 -2.374 5.113 -6.676
21 HG12 VAL 3 HG12 VAL 3 -2.577 3.382 -6.404
22 HG13 VAL 3 HG13 VAL 3 -1.137 4.206 -5.806
23 HG21 VAL 3 HG21 VAL 3 -4.507 5.678 -5.586
24 HG22 VAL 3 HG22 VAL 3 -4.867 5.074 -3.968
25 HG23 VAL 3 HG23 VAL 3 -4.844 3.963 -5.338
26 HA PRO 4 HA PRO 4 1.076 2.717 -2.157
27 HB2 PRO 4 HB2 PRO 4 1.400 0.119 -1.776
28 HB3 PRO 4 HB1 PRO 4 0.157 0.987 -0.866
29 HG2 PRO 4 HG2 PRO 4 -0.143 -0.890 -3.144
30 HG3 PRO 4 HG1 PRO 4 -1.255 -0.555 -1.805
31 HD2 PRO 4 HD2 PRO 4 -1.270 0.570 -4.456
32 HD3 PRO 4 HD1 PRO 4 -2.396 0.893 -3.122
33 H SER 5 HN SER 5 2.762 0.402 -2.782
34 HA SER 5 HA SER 5 3.557 1.054 -5.480
35 HB2 SER 5 HB2 SER 5 5.303 -0.744 -5.038
36 HB3 SER 5 HB1 SER 5 5.343 0.637 -3.942
37 HG SER 5 HG SER 5 4.603 -0.578 -2.329
38 H GLY 6 HN GLY 6 1.519 -1.154 -3.926
39 HA2 GLY 6 HA2 GLY 6 0.195 -2.293 -5.935
40 HA3 GLY 6 HA1 GLY 6 1.688 -3.222 -5.955
41 HA PRO 7 HA PRO 7 0.573 -5.888 -2.611
42 HB2 PRO 7 HB2 PRO 7 2.245 -5.143 -0.516
43 HB3 PRO 7 HB1 PRO 7 2.665 -6.269 -1.810
44 HG2 PRO 7 HG2 PRO 7 3.274 -3.342 -1.570
45 HG3 PRO 7 HG1 PRO 7 4.315 -4.665 -2.145
46 HD2 PRO 7 HD2 PRO 7 3.145 -3.027 -3.875
47 HD3 PRO 7 HD1 PRO 7 3.226 -4.771 -4.212
48 H ASN 8 HN ASN 8 1.527 -3.097 -0.643
49 HA ASN 8 HA ASN 8 -1.172 -2.494 0.144
50 HB2 ASN 8 HB2 ASN 8 -0.864 -3.045 2.525
51 HB3 ASN 8 HB1 ASN 8 -0.750 -4.486 1.526
52 HD21 ASN 8 HD21 ASN 8 1.172 -5.590 1.409
53 HD22 ASN 8 HD22 ASN 8 2.525 -5.231 2.423
54 HA PRO 9 HA PRO 9 0.684 1.414 0.879
55 HB2 PRO 9 HB2 PRO 9 -0.801 2.438 2.904
56 HB3 PRO 9 HB1 PRO 9 -1.393 2.265 1.246
57 HG2 PRO 9 HG2 PRO 9 -1.853 0.488 3.613
58 HG3 PRO 9 HG1 PRO 9 -3.012 1.052 2.388
59 HD2 PRO 9 HD2 PRO 9 -1.911 -1.409 2.299
60 HD3 PRO 9 HD1 PRO 9 -2.315 -0.496 0.833
61 H SER 10 HN SER 10 2.393 -0.309 1.909
62 HA SER 10 HA SER 10 3.270 1.126 4.325
63 HB2 SER 10 HB2 SER 10 2.736 -1.264 4.815
64 HB3 SER 10 HB1 SER 10 3.915 -1.751 3.600
65 HG SER 10 HG SER 10 5.467 -0.510 4.894
66 H SER 11 HN SER 11 3.530 1.486 1.372
67 HA SER 11 HA SER 11 6.328 0.922 0.822
68 HB2 SER 11 HB2 SER 11 4.325 2.341 -0.942
69 HB3 SER 11 HB1 SER 11 5.821 1.552 -1.433
70 HG SER 11 HG SER 11 4.245 -0.181 -0.099
71 H ASN 12 HN ASN 12 7.884 2.359 1.183
72 HA ASN 12 HA ASN 12 7.184 5.211 1.218
73 HB2 ASN 12 HB2 ASN 12 8.912 3.712 3.192
74 HB3 ASN 12 HB1 ASN 12 8.928 5.465 3.040
75 HD21 ASN 12 HD21 ASN 12 6.115 5.744 2.535
76 HD22 ASN 12 HD22 ASN 12 5.305 5.415 4.024
Start of MODEL 7
1 H1 HIS 1 HT1 HIS 1 -5.509 -2.441 -4.591
2 H2 HIS 1 HT2 HIS 1 -4.690 -0.993 -4.883
3 H3 HIS 1 HT3 HIS 1 -6.356 -0.980 -4.603
4 HA HIS 1 HA HIS 1 -6.024 -1.765 -2.364
5 HB2 HIS 1 HB2 HIS 1 -3.129 -1.665 -3.197
6 HB3 HIS 1 HB1 HIS 1 -3.603 -1.602 -1.507
7 HD1 HIS 1 HD1 HIS 1 -2.959 -3.943 -4.241
8 HD2 HIS 1 HD2 HIS 1 -5.007 -3.986 -0.624
9 HE1 HIS 1 HE1 HIS 1 -3.389 -6.365 -3.734
10 HE2 HIS 1 HE2 HIS 1 -4.787 -6.350 -1.643
11 H GLU 2 HN GLU 2 -4.140 -0.156 -0.864
12 HA GLU 2 HA GLU 2 -5.568 2.328 -1.024
13 HB2 GLU 2 HB2 GLU 2 -4.615 1.007 1.055
14 HB3 GLU 2 HB1 GLU 2 -3.170 1.938 0.707
15 HG2 GLU 2 HG2 GLU 2 -4.386 4.011 0.941
16 HG3 GLU 2 HG1 GLU 2 -5.880 3.122 1.221
17 H VAL 3 HN VAL 3 -4.389 2.250 -3.376
18 HA VAL 3 HA VAL 3 -2.764 2.933 -4.824
19 HB VAL 3 HB VAL 3 -3.041 5.397 -3.123
20 HG11 VAL 3 HG11 VAL 3 -2.380 5.088 -6.055
21 HG12 VAL 3 HG12 VAL 3 -1.254 5.575 -4.788
22 HG13 VAL 3 HG13 VAL 3 -2.611 6.619 -5.211
23 HG21 VAL 3 HG21 VAL 3 -5.226 4.525 -3.687
24 HG22 VAL 3 HG22 VAL 3 -4.766 4.417 -5.387
25 HG23 VAL 3 HG23 VAL 3 -4.904 5.994 -4.609
26 HA PRO 4 HA PRO 4 1.004 2.713 -2.174
27 HB2 PRO 4 HB2 PRO 4 1.319 0.096 -1.810
28 HB3 PRO 4 HB1 PRO 4 0.109 0.990 -0.878
29 HG2 PRO 4 HG2 PRO 4 -0.268 -0.936 -3.089
30 HG3 PRO 4 HG1 PRO 4 -1.387 -0.470 -1.798
31 HD2 PRO 4 HD2 PRO 4 -1.240 0.534 -4.516
32 HD3 PRO 4 HD1 PRO 4 -2.447 0.898 -3.264
33 H SER 5 HN SER 5 2.720 0.387 -2.780
34 HA SER 5 HA SER 5 3.413 1.044 -5.541
35 HB2 SER 5 HB2 SER 5 5.160 0.926 -3.705
36 HB3 SER 5 HB1 SER 5 4.883 -0.815 -3.655
37 HG SER 5 HG SER 5 6.435 0.584 -5.320
38 H GLY 6 HN GLY 6 1.265 -0.871 -4.163
39 HA2 GLY 6 HA2 GLY 6 0.233 -2.355 -5.986
40 HA3 GLY 6 HA1 GLY 6 1.762 -3.212 -5.869
41 HA PRO 7 HA PRO 7 0.555 -5.887 -2.623
42 HB2 PRO 7 HB2 PRO 7 2.237 -5.153 -0.520
43 HB3 PRO 7 HB1 PRO 7 2.631 -6.293 -1.809
44 HG2 PRO 7 HG2 PRO 7 3.289 -3.376 -1.590
45 HG3 PRO 7 HG1 PRO 7 4.303 -4.718 -2.167
46 HD2 PRO 7 HD2 PRO 7 3.161 -3.077 -3.900
47 HD3 PRO 7 HD1 PRO 7 3.180 -4.826 -4.219
48 H ASN 8 HN ASN 8 1.499 -3.087 -0.667
49 HA ASN 8 HA ASN 8 -1.200 -2.538 0.183
50 HB2 ASN 8 HB2 ASN 8 -0.908 -3.131 2.511
51 HB3 ASN 8 HB1 ASN 8 -0.521 -4.551 1.551
52 HD21 ASN 8 HD21 ASN 8 0.260 -3.778 4.266
53 HD22 ASN 8 HD22 ASN 8 1.989 -3.816 4.288
54 HA PRO 9 HA PRO 9 0.698 1.408 0.887
55 HB2 PRO 9 HB2 PRO 9 -0.666 2.445 2.962
56 HB3 PRO 9 HB1 PRO 9 -1.389 2.212 1.364
57 HG2 PRO 9 HG2 PRO 9 -1.561 0.437 3.784
58 HG3 PRO 9 HG1 PRO 9 -2.878 1.022 2.747
59 HD2 PRO 9 HD2 PRO 9 -1.841 -1.428 2.431
60 HD3 PRO 9 HD1 PRO 9 -2.357 -0.450 1.036
61 H SER 10 HN SER 10 2.337 -0.497 1.859
62 HA SER 10 HA SER 10 3.193 0.238 4.522
63 HB2 SER 10 HB2 SER 10 5.155 -1.292 3.859
64 HB3 SER 10 HB1 SER 10 3.563 -2.038 3.988
65 HG SER 10 HG SER 10 3.640 -2.500 1.945
66 H SER 11 HN SER 11 3.309 1.646 1.593
67 HA SER 11 HA SER 11 5.977 2.786 1.850
68 HB2 SER 11 HB2 SER 11 5.225 3.913 -0.351
69 HB3 SER 11 HB1 SER 11 5.511 2.174 -0.375
70 HG SER 11 HG SER 11 3.157 3.593 -0.666
71 H ASN 12 HN ASN 12 3.913 3.370 3.805
72 HA ASN 12 HA ASN 12 3.714 6.275 3.417
73 HB2 ASN 12 HB2 ASN 12 1.573 4.467 4.566
74 HB3 ASN 12 HB1 ASN 12 1.517 6.227 4.580
75 HD21 ASN 12 HD21 ASN 12 1.137 7.333 2.670
76 HD22 ASN 12 HD22 ASN 12 0.525 6.544 1.257
Start of MODEL 8
1 H1 HIS 1 HT1 HIS 1 -7.496 -1.839 -0.397
2 H2 HIS 1 HT2 HIS 1 -6.042 -0.982 -0.258
3 H3 HIS 1 HT3 HIS 1 -6.799 -1.121 -1.760
4 HA HIS 1 HA HIS 1 -8.646 0.196 -1.040
5 HB2 HIS 1 HB2 HIS 1 -7.124 0.357 1.575
6 HB3 HIS 1 HB1 HIS 1 -8.492 1.377 1.164
7 HD1 HIS 1 HD1 HIS 1 -10.833 0.085 0.871
8 HD2 HIS 1 HD2 HIS 1 -7.766 -2.047 2.696
9 HE1 HIS 1 HE1 HIS 1 -11.950 -1.822 2.070
10 HE2 HIS 1 HE2 HIS 1 -10.083 -3.069 3.208
11 H GLU 2 HN GLU 2 -5.615 1.161 0.541
12 HA GLU 2 HA GLU 2 -5.454 3.638 -0.851
13 HB2 GLU 2 HB2 GLU 2 -4.397 3.114 1.392
14 HB3 GLU 2 HB1 GLU 2 -3.223 2.137 0.526
15 HG2 GLU 2 HG2 GLU 2 -2.366 4.360 1.097
16 HG3 GLU 2 HG1 GLU 2 -2.392 4.065 -0.640
17 H VAL 3 HN VAL 3 -3.742 4.214 -2.380
18 HA VAL 3 HA VAL 3 -3.015 1.958 -4.108
19 HB VAL 3 HB VAL 3 -2.712 4.903 -4.716
20 HG11 VAL 3 HG11 VAL 3 -2.545 4.116 -7.039
21 HG12 VAL 3 HG12 VAL 3 -2.644 2.450 -6.469
22 HG13 VAL 3 HG13 VAL 3 -1.265 3.454 -6.023
23 HG21 VAL 3 HG21 VAL 3 -4.945 3.023 -5.487
24 HG22 VAL 3 HG22 VAL 3 -4.740 4.671 -6.079
25 HG23 VAL 3 HG23 VAL 3 -5.068 4.383 -4.371
26 HA PRO 4 HA PRO 4 1.056 2.715 -2.264
27 HB2 PRO 4 HB2 PRO 4 1.647 0.171 -1.735
28 HB3 PRO 4 HB1 PRO 4 0.444 1.036 -0.766
29 HG2 PRO 4 HG2 PRO 4 0.060 -1.063 -2.827
30 HG3 PRO 4 HG1 PRO 4 -0.946 -0.659 -1.428
31 HD2 PRO 4 HD2 PRO 4 -1.304 0.155 -4.153
32 HD3 PRO 4 HD1 PRO 4 -2.295 0.586 -2.745
33 H SER 5 HN SER 5 2.885 0.430 -2.831
34 HA SER 5 HA SER 5 3.538 1.054 -5.581
35 HB2 SER 5 HB2 SER 5 5.317 0.766 -3.863
36 HB3 SER 5 HB1 SER 5 4.845 -0.920 -3.686
37 HG SER 5 HG SER 5 5.580 -1.352 -5.707
38 H GLY 6 HN GLY 6 1.357 -0.877 -4.165
39 HA2 GLY 6 HA2 GLY 6 0.203 -2.241 -6.042
40 HA3 GLY 6 HA1 GLY 6 1.695 -3.167 -5.954
41 HA PRO 7 HA PRO 7 0.436 -5.749 -2.653
42 HB2 PRO 7 HB2 PRO 7 2.162 -5.099 -0.570
43 HB3 PRO 7 HB1 PRO 7 2.513 -6.228 -1.881
44 HG2 PRO 7 HG2 PRO 7 3.253 -3.334 -1.618
45 HG3 PRO 7 HG1 PRO 7 4.229 -4.695 -2.217
46 HD2 PRO 7 HD2 PRO 7 3.119 -2.991 -3.917
47 HD3 PRO 7 HD1 PRO 7 3.118 -4.732 -4.272
48 H ASN 8 HN ASN 8 1.527 -3.062 -0.604
49 HA ASN 8 HA ASN 8 -1.153 -2.517 0.355
50 HB2 ASN 8 HB2 ASN 8 -0.526 -4.584 1.575
51 HB3 ASN 8 HB1 ASN 8 0.939 -3.797 2.147
52 HD21 ASN 8 HD21 ASN 8 0.828 -2.369 3.845
53 HD22 ASN 8 HD22 ASN 8 -0.612 -2.132 4.779
54 HA PRO 9 HA PRO 9 0.826 1.421 1.011
55 HB2 PRO 9 HB2 PRO 9 -0.806 2.457 2.933
56 HB3 PRO 9 HB1 PRO 9 -1.233 2.381 1.217
57 HG2 PRO 9 HG2 PRO 9 -1.985 0.509 3.439
58 HG3 PRO 9 HG1 PRO 9 -3.016 1.208 2.172
59 HD2 PRO 9 HD2 PRO 9 -2.082 -1.292 1.966
60 HD3 PRO 9 HD1 PRO 9 -2.194 -0.236 0.540
61 H SER 10 HN SER 10 2.622 0.132 1.943
62 HA SER 10 HA SER 10 2.928 0.836 4.785
63 HB2 SER 10 HB2 SER 10 4.245 -1.455 3.301
64 HB3 SER 10 HB1 SER 10 4.456 -1.066 5.009
65 HG SER 10 HG SER 10 2.275 -1.530 5.341
66 H SER 11 HN SER 11 3.553 1.980 1.944
67 HA SER 11 HA SER 11 5.008 3.521 1.143
68 HB2 SER 11 HB2 SER 11 4.754 4.349 3.539
69 HB3 SER 11 HB1 SER 11 6.292 3.560 3.878
70 HG SER 11 HG SER 11 5.737 5.825 2.333
71 H ASN 12 HN ASN 12 5.668 0.968 0.496
72 HA ASN 12 HA ASN 12 8.588 1.134 0.412
73 HB2 ASN 12 HB2 ASN 12 8.889 -1.221 0.830
74 HB3 ASN 12 HB1 ASN 12 7.965 -0.539 2.160
75 HD21 ASN 12 HD21 ASN 12 5.755 -1.018 2.315
76 HD22 ASN 12 HD22 ASN 12 5.073 -2.403 1.536
Start of MODEL 9
1 H1 HIS 1 HT1 HIS 1 -7.558 0.539 -3.285
2 H2 HIS 1 HT2 HIS 1 -5.988 0.885 -2.776
3 H3 HIS 1 HT3 HIS 1 -6.852 2.025 -3.674
4 HA HIS 1 HA HIS 1 -8.453 2.255 -1.890
5 HB2 HIS 1 HB2 HIS 1 -8.084 -0.061 -0.998
6 HB3 HIS 1 HB1 HIS 1 -6.556 0.487 -0.326
7 HD1 HIS 1 HD1 HIS 1 -10.112 0.234 0.418
8 HD2 HIS 1 HD2 HIS 1 -6.903 2.508 1.766
9 HE1 HIS 1 HE1 HIS 1 -10.840 1.195 2.624
10 HE2 HIS 1 HE2 HIS 1 -8.889 2.572 3.423
11 H GLU 2 HN GLU 2 -4.976 1.829 -1.083
12 HA GLU 2 HA GLU 2 -5.016 4.603 -0.108
13 HB2 GLU 2 HB2 GLU 2 -4.436 2.708 1.478
14 HB3 GLU 2 HB1 GLU 2 -2.967 2.486 0.543
15 HG2 GLU 2 HG2 GLU 2 -2.693 3.827 2.617
16 HG3 GLU 2 HG1 GLU 2 -2.167 4.637 1.144
17 H VAL 3 HN VAL 3 -4.244 3.014 -2.781
18 HA VAL 3 HA VAL 3 -2.843 3.190 -4.528
19 HB VAL 3 HB VAL 3 -2.538 5.979 -3.458
20 HG11 VAL 3 HG11 VAL 3 -2.122 4.931 -6.257
21 HG12 VAL 3 HG12 VAL 3 -0.846 5.445 -5.155
22 HG13 VAL 3 HG13 VAL 3 -2.011 6.620 -5.763
23 HG21 VAL 3 HG21 VAL 3 -4.865 5.394 -3.770
24 HG22 VAL 3 HG22 VAL 3 -4.525 4.845 -5.410
25 HG23 VAL 3 HG23 VAL 3 -4.358 6.552 -5.000
26 HA PRO 4 HA PRO 4 1.098 2.732 -2.185
27 HB2 PRO 4 HB2 PRO 4 1.140 0.119 -1.751
28 HB3 PRO 4 HB1 PRO 4 0.093 1.161 -0.768
29 HG2 PRO 4 HG2 PRO 4 -0.620 -0.670 -3.013
30 HG3 PRO 4 HG1 PRO 4 -1.533 -0.277 -1.547
31 HD2 PRO 4 HD2 PRO 4 -1.860 0.869 -4.120
32 HD3 PRO 4 HD1 PRO 4 -2.618 1.404 -2.609
33 H SER 5 HN SER 5 2.672 0.500 -2.801
34 HA SER 5 HA SER 5 3.064 0.958 -5.664
35 HB2 SER 5 HB2 SER 5 4.929 -0.232 -3.600
36 HB3 SER 5 HB1 SER 5 5.336 0.089 -5.286
37 HG SER 5 HG SER 5 5.962 1.758 -3.735
38 H GLY 6 HN GLY 6 1.018 -0.877 -4.607
39 HA2 GLY 6 HA2 GLY 6 0.444 -2.745 -6.145
40 HA3 GLY 6 HA1 GLY 6 2.044 -3.375 -5.802
41 HA PRO 7 HA PRO 7 0.730 -5.922 -2.504
42 HB2 PRO 7 HB2 PRO 7 2.233 -4.979 -0.353
43 HB3 PRO 7 HB1 PRO 7 2.784 -6.154 -1.550
44 HG2 PRO 7 HG2 PRO 7 3.238 -3.192 -1.450
45 HG3 PRO 7 HG1 PRO 7 4.376 -4.490 -1.879
46 HD2 PRO 7 HD2 PRO 7 3.251 -3.022 -3.775
47 HD3 PRO 7 HD1 PRO 7 3.418 -4.778 -3.994
48 H ASN 8 HN ASN 8 1.461 -3.057 -0.586
49 HA ASN 8 HA ASN 8 -1.234 -2.272 -0.160
50 HB2 ASN 8 HB2 ASN 8 -1.516 -2.970 2.137
51 HB3 ASN 8 HB1 ASN 8 -1.117 -4.399 1.199
52 HD21 ASN 8 HD21 ASN 8 0.941 -5.333 1.432
53 HD22 ASN 8 HD22 ASN 8 1.919 -5.007 2.820
54 HA PRO 9 HA PRO 9 0.790 1.447 0.982
55 HB2 PRO 9 HB2 PRO 9 -0.481 2.291 3.262
56 HB3 PRO 9 HB1 PRO 9 -1.121 2.469 1.621
57 HG2 PRO 9 HG2 PRO 9 -1.732 0.367 3.667
58 HG3 PRO 9 HG1 PRO 9 -2.846 1.260 2.609
59 HD2 PRO 9 HD2 PRO 9 -2.102 -1.229 2.014
60 HD3 PRO 9 HD1 PRO 9 -2.280 -0.003 0.741
61 H SER 10 HN SER 10 1.797 2.683 2.906
62 HA SER 10 HA SER 10 3.548 2.805 4.330
63 HB2 SER 10 HB2 SER 10 2.210 1.405 5.888
64 HB3 SER 10 HB1 SER 10 2.882 -0.040 5.136
65 HG SER 10 HG SER 10 4.999 0.992 5.719
66 H SER 11 HN SER 11 3.427 1.328 1.606
67 HA SER 11 HA SER 11 6.289 0.743 1.574
68 HB2 SER 11 HB2 SER 11 4.193 -1.032 0.286
69 HB3 SER 11 HB1 SER 11 5.939 -1.239 0.163
70 HG SER 11 HG SER 11 5.781 -1.288 2.602
71 H ASN 12 HN ASN 12 6.914 2.446 0.365
72 HA ASN 12 HA ASN 12 5.462 2.932 -2.152
73 HB2 ASN 12 HB2 ASN 12 7.044 4.860 -0.438
74 HB3 ASN 12 HB1 ASN 12 6.415 5.248 -2.036
75 HD21 ASN 12 HD21 ASN 12 3.967 3.709 -1.622
76 HD22 ASN 12 HD22 ASN 12 2.991 4.659 -0.558
Start of MODEL 10
1 H1 HIS 1 HT1 HIS 1 -5.757 -2.539 -1.997
2 H2 HIS 1 HT2 HIS 1 -5.160 -1.694 -0.664
3 H3 HIS 1 HT3 HIS 1 -4.718 -1.232 -2.229
4 HA HIS 1 HA HIS 1 -6.931 -0.559 -2.741
5 HB2 HIS 1 HB2 HIS 1 -7.517 -1.594 0.036
6 HB3 HIS 1 HB1 HIS 1 -8.608 -0.522 -0.833
7 HD1 HIS 1 HD1 HIS 1 -7.525 -4.057 -0.600
8 HD2 HIS 1 HD2 HIS 1 -9.863 -1.701 -3.104
9 HE1 HIS 1 HE1 HIS 1 -8.837 -5.664 -2.016
10 HE2 HIS 1 HE2 HIS 1 -10.380 -4.217 -3.374
11 H GLU 2 HN GLU 2 -4.450 0.576 -1.861
12 HA GLU 2 HA GLU 2 -5.489 3.084 -0.831
13 HB2 GLU 2 HB2 GLU 2 -4.661 1.642 1.105
14 HB3 GLU 2 HB1 GLU 2 -3.056 1.825 0.430
15 HG2 GLU 2 HG2 GLU 2 -3.629 3.396 2.298
16 HG3 GLU 2 HG1 GLU 2 -3.045 4.155 0.819
17 H VAL 3 HN VAL 3 -4.513 2.054 -3.328
18 HA VAL 3 HA VAL 3 -2.868 2.132 -4.904
19 HB VAL 3 HB VAL 3 -4.256 4.085 -5.292
20 HG11 VAL 3 HG11 VAL 3 -2.262 5.632 -3.656
21 HG12 VAL 3 HG12 VAL 3 -3.936 5.292 -3.219
22 HG13 VAL 3 HG13 VAL 3 -3.578 6.325 -4.604
23 HG21 VAL 3 HG21 VAL 3 -1.343 4.568 -5.868
24 HG22 VAL 3 HG22 VAL 3 -2.688 5.380 -6.666
25 HG23 VAL 3 HG23 VAL 3 -2.475 3.639 -6.850
26 HA PRO 4 HA PRO 4 0.879 2.715 -2.282
27 HB2 PRO 4 HB2 PRO 4 1.410 0.178 -1.639
28 HB3 PRO 4 HB1 PRO 4 0.182 1.104 -0.772
29 HG2 PRO 4 HG2 PRO 4 -0.141 -1.062 -2.765
30 HG3 PRO 4 HG1 PRO 4 -1.202 -0.593 -1.428
31 HD2 PRO 4 HD2 PRO 4 -1.459 0.098 -4.179
32 HD3 PRO 4 HD1 PRO 4 -2.458 0.657 -2.826
33 H SER 5 HN SER 5 2.734 0.470 -2.546
34 HA SER 5 HA SER 5 3.849 0.967 -5.109
35 HB2 SER 5 HB2 SER 5 5.261 -1.106 -4.397
36 HB3 SER 5 HB1 SER 5 5.400 0.373 -3.444
37 HG SER 5 HG SER 5 5.065 -1.655 -2.234
38 H GLY 6 HN GLY 6 1.391 -1.000 -3.956
39 HA2 GLY 6 HA2 GLY 6 0.169 -2.042 -6.005
40 HA3 GLY 6 HA1 GLY 6 1.625 -3.033 -6.041
41 HA PRO 7 HA PRO 7 0.294 -5.722 -2.738
42 HB2 PRO 7 HB2 PRO 7 2.096 -5.218 -0.700
43 HB3 PRO 7 HB1 PRO 7 2.394 -6.294 -2.068
44 HG2 PRO 7 HG2 PRO 7 3.186 -3.416 -1.712
45 HG3 PRO 7 HG1 PRO 7 4.148 -4.778 -2.336
46 HD2 PRO 7 HD2 PRO 7 3.065 -3.037 -4.008
47 HD3 PRO 7 HD1 PRO 7 3.023 -4.774 -4.386
48 H ASN 8 HN ASN 8 1.593 -3.117 -0.694
49 HA ASN 8 HA ASN 8 -1.050 -2.560 0.402
50 HB2 ASN 8 HB2 ASN 8 1.171 -3.918 1.921
51 HB3 ASN 8 HB1 ASN 8 -0.043 -2.958 2.749
52 HD21 ASN 8 HD21 ASN 8 0.616 -5.838 2.809
53 HD22 ASN 8 HD22 ASN 8 -0.878 -6.645 2.481
54 HA PRO 9 HA PRO 9 0.703 1.460 0.948
55 HB2 PRO 9 HB2 PRO 9 -0.752 2.386 3.035
56 HB3 PRO 9 HB1 PRO 9 -1.412 2.191 1.406
57 HG2 PRO 9 HG2 PRO 9 -1.642 0.362 3.770
58 HG3 PRO 9 HG1 PRO 9 -2.902 0.889 2.633
59 HD2 PRO 9 HD2 PRO 9 -1.708 -1.510 2.411
60 HD3 PRO 9 HD1 PRO 9 -2.210 -0.570 0.989
61 H SER 10 HN SER 10 2.447 -0.346 1.984
62 HA SER 10 HA SER 10 3.247 0.905 4.524
63 HB2 SER 10 HB2 SER 10 4.733 -1.151 4.742
64 HB3 SER 10 HB1 SER 10 2.998 -1.446 4.862
65 HG SER 10 HG SER 10 3.873 -2.965 3.488
66 H SER 11 HN SER 11 3.605 1.555 1.526
67 HA SER 11 HA SER 11 5.160 2.329 0.078
68 HB2 SER 11 HB2 SER 11 6.964 3.748 1.102
69 HB3 SER 11 HB1 SER 11 5.336 4.132 1.649
70 HG SER 11 HG SER 11 6.460 2.265 3.242
71 H ASN 12 HN ASN 12 5.424 -0.388 0.601
72 HA ASN 12 HA ASN 12 8.323 -0.772 0.308
73 HB2 ASN 12 HB2 ASN 12 7.664 -1.652 2.476
74 HB3 ASN 12 HB1 ASN 12 6.348 -2.561 1.744
75 HD21 ASN 12 HD21 ASN 12 9.787 -2.353 2.191
76 HD22 ASN 12 HD22 ASN 12 10.150 -3.967 1.684