NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
582270 |
2mg0   |
19580 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 HA2 ACE 1 45.780 -42.435 1.965
2 H2 ACE 1 HA3 ACE 1 47.106 -41.605 2.782
3 H3 ACE 1 HA1 ACE 1 46.029 -40.706 1.712
4 H VAL 2 HN VAL 2 46.499 -41.962 4.895
5 HA VAL 2 HA VAL 2 44.222 -40.467 5.876
6 HB VAL 2 HB VAL 2 43.428 -42.362 7.206
7 HG11 VAL 2 HG11 VAL 2 43.655 -43.210 4.316
8 HG12 VAL 2 HG12 VAL 2 42.606 -41.892 4.837
9 HG13 VAL 2 HG13 VAL 2 42.325 -43.528 5.433
10 HG21 VAL 2 HG21 VAL 2 45.672 -43.782 5.764
11 HG22 VAL 2 HG22 VAL 2 44.335 -44.655 6.513
12 HG23 VAL 2 HG23 VAL 2 45.406 -43.665 7.503
13 H LEU 3 HN LEU 3 47.234 -40.523 5.924
14 HA LEU 3 HA LEU 3 47.591 -40.388 8.870
15 HB2 LEU 3 HB2 LEU 3 49.631 -41.211 6.790
16 HB3 LEU 3 HB1 LEU 3 49.921 -41.088 8.525
17 HG LEU 3 HG LEU 3 47.688 -42.833 7.490
18 HD11 LEU 3 HD11 LEU 3 50.636 -43.505 7.610
19 HD12 LEU 3 HD12 LEU 3 49.544 -43.670 6.235
20 HD13 LEU 3 HD13 LEU 3 49.377 -44.740 7.626
21 HD21 LEU 3 HD21 LEU 3 47.756 -42.465 9.894
22 HD22 LEU 3 HD22 LEU 3 49.471 -42.871 9.948
23 HD23 LEU 3 HD23 LEU 3 48.283 -44.115 9.571
24 H VAL 4 HN VAL 4 47.456 -38.814 5.991
25 HA VAL 4 HA VAL 4 48.607 -36.379 7.084
26 HB VAL 4 HB VAL 4 50.600 -37.154 6.071
27 HG11 VAL 4 HG11 VAL 4 48.806 -38.112 3.828
28 HG12 VAL 4 HG12 VAL 4 49.762 -39.102 4.933
29 HG13 VAL 4 HG13 VAL 4 50.567 -38.099 3.726
30 HG21 VAL 4 HG21 VAL 4 50.991 -35.625 4.281
31 HG22 VAL 4 HG22 VAL 4 49.758 -34.859 5.282
32 HG23 VAL 4 HG23 VAL 4 49.299 -35.665 3.782
33 H ASN 5 HN ASN 5 46.926 -38.120 4.601
34 HA ASN 5 HA ASN 5 45.988 -36.153 2.950
35 HB2 ASN 5 HB2 ASN 5 45.546 -38.645 2.813
36 HB3 ASN 5 HB1 ASN 5 44.245 -38.387 3.973
37 HD21 ASN 5 HD21 ASN 5 44.589 -38.840 0.779
38 HD22 ASN 5 HD22 ASN 5 43.375 -37.818 0.180
39 H GLU 6 HN GLU 6 44.723 -37.118 6.111
40 HA GLU 6 HA GLU 6 42.431 -35.681 6.268
41 HB2 GLU 6 HB2 GLU 6 43.484 -37.242 8.003
42 HB3 GLU 6 HB1 GLU 6 44.349 -35.815 8.573
43 HG2 GLU 6 HG2 GLU 6 42.153 -34.645 8.836
44 HG3 GLU 6 HG1 GLU 6 41.340 -36.149 8.404
45 H ILE 7 HN ILE 7 45.662 -34.525 6.342
46 HA ILE 7 HA ILE 7 45.012 -31.892 7.325
47 HB ILE 7 HB ILE 7 47.513 -32.929 6.015
48 HG12 ILE 7 HG12 ILE 7 47.057 -32.409 8.962
49 HG13 ILE 7 HG11 ILE 7 46.670 -33.972 8.241
50 HG21 ILE 7 HG21 ILE 7 47.476 -30.536 5.862
51 HG22 ILE 7 HG22 ILE 7 48.513 -30.930 7.234
52 HG23 ILE 7 HG23 ILE 7 46.860 -30.378 7.507
53 HD11 ILE 7 HD11 ILE 7 48.933 -34.061 9.136
54 HD12 ILE 7 HD12 ILE 7 49.377 -32.603 8.248
55 HD13 ILE 7 HD13 ILE 7 49.022 -34.093 7.375
56 H LEU 8 HN LEU 8 46.740 -32.796 4.369
57 HA LEU 8 HA LEU 8 46.113 -30.499 2.913
58 HB2 LEU 8 HB2 LEU 8 46.670 -33.301 1.910
59 HB3 LEU 8 HB1 LEU 8 46.691 -31.853 0.904
60 HG LEU 8 HG LEU 8 48.369 -31.940 3.408
61 HD11 LEU 8 HD11 LEU 8 49.210 -33.058 0.714
62 HD12 LEU 8 HD12 LEU 8 48.890 -34.021 2.156
63 HD13 LEU 8 HD13 LEU 8 50.239 -32.887 2.134
64 HD21 LEU 8 HD21 LEU 8 48.631 -30.585 0.700
65 HD22 LEU 8 HD22 LEU 8 49.832 -30.476 1.986
66 HD23 LEU 8 HD23 LEU 8 48.218 -29.809 2.229
67 H ASN 9 HN ASN 9 44.131 -32.942 3.981
68 HA ASN 9 HA ASN 9 42.294 -33.701 2.235
69 HB2 ASN 9 HB2 ASN 9 42.002 -34.071 4.617
70 HB3 ASN 9 HB1 ASN 9 41.662 -32.360 4.867
71 HD21 ASN 9 HD21 ASN 9 39.474 -32.747 5.629
72 HD22 ASN 9 HD22 ASN 9 38.251 -33.287 4.584
73 H HIS 10 HN HIS 10 40.480 -32.919 1.138
74 HA HIS 10 HA HIS 10 39.517 -30.282 1.306
75 HB2 HIS 10 HB2 HIS 10 41.632 -29.654 0.296
76 HB3 HIS 10 HB1 HIS 10 41.406 -30.848 -0.982
77 HD1 HIS 10 HD1 HIS 10 39.438 -30.383 -2.702
78 HD2 HIS 10 HD2 HIS 10 40.255 -27.236 -0.091
79 HE1 HIS 10 HE1 HIS 10 38.281 -28.342 -3.655
80 HE2 HIS 10 HE2 HIS 10 38.770 -26.415 -2.075
81 HN1 NH2 11 HN1 NH2 11 37.156 -31.497 -0.783
82 HN2 NH2 11 HN2 NH2 11 37.272 -30.690 0.705
Start of MODEL 2
1 H1 ACE 1 HA2 ACE 1 48.164 -41.595 3.158
2 H2 ACE 1 HA3 ACE 1 46.635 -42.208 2.529
3 H3 ACE 1 HA1 ACE 1 47.880 -43.332 3.070
4 H VAL 2 HN VAL 2 45.409 -41.113 4.060
5 HA VAL 2 HA VAL 2 44.380 -40.598 5.989
6 HB VAL 2 HB VAL 2 43.608 -42.489 7.262
7 HG11 VAL 2 HG11 VAL 2 42.503 -42.155 5.175
8 HG12 VAL 2 HG12 VAL 2 42.779 -43.891 5.323
9 HG13 VAL 2 HG13 VAL 2 43.822 -42.917 4.286
10 HG21 VAL 2 HG21 VAL 2 45.898 -43.680 7.240
11 HG22 VAL 2 HG22 VAL 2 45.426 -44.288 5.654
12 HG23 VAL 2 HG23 VAL 2 44.471 -44.692 7.075
13 H LEU 3 HN LEU 3 47.348 -40.470 5.924
14 HA LEU 3 HA LEU 3 47.797 -40.296 8.853
15 HB2 LEU 3 HB2 LEU 3 49.795 -41.102 6.724
16 HB3 LEU 3 HB1 LEU 3 50.170 -40.859 8.430
17 HG LEU 3 HG LEU 3 47.963 -42.751 7.662
18 HD11 LEU 3 HD11 LEU 3 50.932 -43.358 7.595
19 HD12 LEU 3 HD12 LEU 3 49.783 -43.522 6.268
20 HD13 LEU 3 HD13 LEU 3 49.681 -44.599 7.661
21 HD21 LEU 3 HD21 LEU 3 48.770 -43.903 9.734
22 HD22 LEU 3 HD22 LEU 3 48.262 -42.243 10.034
23 HD23 LEU 3 HD23 LEU 3 49.979 -42.636 9.932
24 H VAL 4 HN VAL 4 47.512 -38.807 5.939
25 HA VAL 4 HA VAL 4 48.603 -36.297 6.942
26 HB VAL 4 HB VAL 4 50.560 -37.038 5.827
27 HG11 VAL 4 HG11 VAL 4 50.452 -38.011 3.518
28 HG12 VAL 4 HG12 VAL 4 48.692 -37.996 3.640
29 HG13 VAL 4 HG13 VAL 4 49.643 -39.003 4.733
30 HG21 VAL 4 HG21 VAL 4 49.091 -35.572 3.626
31 HG22 VAL 4 HG22 VAL 4 50.808 -35.491 4.026
32 HG23 VAL 4 HG23 VAL 4 49.617 -34.762 5.102
33 H ASN 5 HN ASN 5 46.877 -38.133 4.551
34 HA ASN 5 HA ASN 5 45.769 -36.224 2.943
35 HB2 ASN 5 HB2 ASN 5 45.437 -38.737 2.848
36 HB3 ASN 5 HB1 ASN 5 44.176 -38.525 4.062
37 HD21 ASN 5 HD21 ASN 5 44.969 -38.086 0.675
38 HD22 ASN 5 HD22 ASN 5 43.445 -37.508 0.199
39 H GLU 6 HN GLU 6 44.762 -37.180 6.190
40 HA GLU 6 HA GLU 6 42.398 -35.840 6.437
41 HB2 GLU 6 HB2 GLU 6 43.571 -37.380 8.112
42 HB3 GLU 6 HB1 GLU 6 44.415 -35.932 8.659
43 HG2 GLU 6 HG2 GLU 6 42.492 -36.147 10.067
44 HG3 GLU 6 HG1 GLU 6 42.128 -34.846 8.935
45 H ILE 7 HN ILE 7 45.572 -34.566 6.297
46 HA ILE 7 HA ILE 7 44.890 -31.965 7.365
47 HB ILE 7 HB ILE 7 47.354 -32.926 5.938
48 HG12 ILE 7 HG12 ILE 7 47.015 -32.386 8.896
49 HG13 ILE 7 HG11 ILE 7 46.657 -33.969 8.207
50 HG21 ILE 7 HG21 ILE 7 47.263 -30.544 5.756
51 HG22 ILE 7 HG22 ILE 7 48.344 -30.882 7.108
52 HG23 ILE 7 HG23 ILE 7 46.682 -30.373 7.413
53 HD11 ILE 7 HD11 ILE 7 48.955 -33.973 8.999
54 HD12 ILE 7 HD12 ILE 7 49.308 -32.501 8.091
55 HD13 ILE 7 HD13 ILE 7 48.973 -34.006 7.236
56 H LEU 8 HN LEU 8 46.498 -32.798 4.320
57 HA LEU 8 HA LEU 8 45.752 -30.509 2.916
58 HB2 LEU 8 HB2 LEU 8 46.299 -33.293 1.860
59 HB3 LEU 8 HB1 LEU 8 46.251 -31.835 0.870
60 HG LEU 8 HG LEU 8 48.051 -31.925 3.287
61 HD11 LEU 8 HD11 LEU 8 48.766 -33.002 0.542
62 HD12 LEU 8 HD12 LEU 8 48.540 -33.983 1.989
63 HD13 LEU 8 HD13 LEU 8 49.870 -32.827 1.907
64 HD21 LEU 8 HD21 LEU 8 48.157 -30.532 0.588
65 HD22 LEU 8 HD22 LEU 8 49.422 -30.426 1.811
66 HD23 LEU 8 HD23 LEU 8 47.817 -29.782 2.147
67 H ASN 9 HN ASN 9 43.865 -32.996 4.059
68 HA ASN 9 HA ASN 9 41.954 -33.767 2.399
69 HB2 ASN 9 HB2 ASN 9 41.940 -33.974 4.919
70 HB3 ASN 9 HB1 ASN 9 41.190 -32.380 4.964
71 HD21 ASN 9 HD21 ASN 9 39.201 -33.372 5.861
72 HD22 ASN 9 HD22 ASN 9 38.148 -34.235 4.847
73 H HIS 10 HN HIS 10 41.752 -32.390 0.579
74 HA HIS 10 HA HIS 10 41.221 -29.747 0.384
75 HB2 HIS 10 HB2 HIS 10 40.032 -30.193 -1.672
76 HB3 HIS 10 HB1 HIS 10 41.362 -31.340 -1.528
77 HD1 HIS 10 HD1 HIS 10 39.895 -33.201 0.600
78 HD2 HIS 10 HD2 HIS 10 38.301 -31.958 -3.047
79 HE1 HIS 10 HE1 HIS 10 38.110 -34.888 -0.014
80 HE2 HIS 10 HE2 HIS 10 37.127 -34.145 -2.235
81 HN1 NH2 11 HN1 NH2 11 38.767 -31.526 1.896
82 HN2 NH2 11 HN2 NH2 11 37.485 -31.638 0.789
Start of MODEL 3
1 H1 ACE 1 HA2 ACE 1 45.143 -44.316 3.233
2 H2 ACE 1 HA3 ACE 1 46.295 -43.006 2.974
3 H3 ACE 1 HA1 ACE 1 44.794 -43.056 2.049
4 H VAL 2 HN VAL 2 46.227 -42.417 5.181
5 HA VAL 2 HA VAL 2 44.516 -40.363 5.871
6 HB VAL 2 HB VAL 2 42.724 -41.949 6.151
7 HG11 VAL 2 HG11 VAL 2 42.883 -43.965 7.375
8 HG12 VAL 2 HG12 VAL 2 44.381 -43.474 8.162
9 HG13 VAL 2 HG13 VAL 2 44.385 -43.908 6.454
10 HG21 VAL 2 HG21 VAL 2 42.038 -41.054 8.149
11 HG22 VAL 2 HG22 VAL 2 43.575 -40.187 8.104
12 HG23 VAL 2 HG23 VAL 2 43.433 -41.684 9.024
13 H LEU 3 HN LEU 3 47.004 -40.300 5.976
14 HA LEU 3 HA LEU 3 47.801 -40.452 8.812
15 HB2 LEU 3 HB2 LEU 3 49.496 -41.180 6.412
16 HB3 LEU 3 HB1 LEU 3 50.091 -41.061 8.067
17 HG LEU 3 HG LEU 3 47.781 -42.866 7.349
18 HD11 LEU 3 HD11 LEU 3 49.391 -44.719 7.140
19 HD12 LEU 3 HD12 LEU 3 50.726 -43.583 7.342
20 HD13 LEU 3 HD13 LEU 3 49.693 -43.485 5.915
21 HD21 LEU 3 HD21 LEU 3 48.753 -44.123 9.360
22 HD22 LEU 3 HD22 LEU 3 48.003 -42.570 9.714
23 HD23 LEU 3 HD23 LEU 3 49.759 -42.704 9.639
24 H VAL 4 HN VAL 4 47.700 -38.898 5.771
25 HA VAL 4 HA VAL 4 48.762 -36.421 6.932
26 HB VAL 4 HB VAL 4 50.212 -36.021 4.987
27 HG11 VAL 4 HG11 VAL 4 50.853 -38.709 6.223
28 HG12 VAL 4 HG12 VAL 4 51.028 -37.185 7.093
29 HG13 VAL 4 HG13 VAL 4 51.992 -37.491 5.648
30 HG21 VAL 4 HG21 VAL 4 50.710 -38.006 3.506
31 HG22 VAL 4 HG22 VAL 4 49.084 -37.351 3.308
32 HG23 VAL 4 HG23 VAL 4 49.333 -38.826 4.243
33 H ASN 5 HN ASN 5 46.733 -38.117 4.788
34 HA ASN 5 HA ASN 5 45.993 -36.053 3.037
35 HB2 ASN 5 HB2 ASN 5 45.506 -38.490 2.714
36 HB3 ASN 5 HB1 ASN 5 44.270 -38.352 3.960
37 HD21 ASN 5 HD21 ASN 5 44.327 -38.633 0.778
38 HD22 ASN 5 HD22 ASN 5 43.115 -37.538 0.314
39 H GLU 6 HN GLU 6 44.553 -37.235 6.053
40 HA GLU 6 HA GLU 6 42.340 -35.732 6.298
41 HB2 GLU 6 HB2 GLU 6 44.340 -36.649 8.302
42 HB3 GLU 6 HB1 GLU 6 42.956 -35.695 8.830
43 HG2 GLU 6 HG2 GLU 6 42.707 -38.210 7.158
44 HG3 GLU 6 HG1 GLU 6 42.618 -38.207 8.918
45 H ILE 7 HN ILE 7 45.501 -34.572 6.123
46 HA ILE 7 HA ILE 7 44.908 -31.999 7.380
47 HB ILE 7 HB ILE 7 47.415 -33.040 6.089
48 HG12 ILE 7 HG12 ILE 7 46.852 -32.603 9.031
49 HG13 ILE 7 HG11 ILE 7 46.525 -34.144 8.242
50 HG21 ILE 7 HG21 ILE 7 46.759 -30.508 7.609
51 HG22 ILE 7 HG22 ILE 7 47.470 -30.654 6.001
52 HG23 ILE 7 HG23 ILE 7 48.413 -31.095 7.423
53 HD11 ILE 7 HD11 ILE 7 48.736 -34.279 9.209
54 HD12 ILE 7 HD12 ILE 7 49.201 -32.741 8.483
55 HD13 ILE 7 HD13 ILE 7 48.934 -34.151 7.462
56 H LEU 8 HN LEU 8 46.711 -32.775 4.434
57 HA LEU 8 HA LEU 8 46.096 -30.405 3.077
58 HB2 LEU 8 HB2 LEU 8 46.777 -33.129 1.943
59 HB3 LEU 8 HB1 LEU 8 46.836 -31.614 1.043
60 HG LEU 8 HG LEU 8 48.353 -31.845 3.639
61 HD11 LEU 8 HD11 LEU 8 50.326 -32.664 2.397
62 HD12 LEU 8 HD12 LEU 8 49.344 -32.820 0.940
63 HD13 LEU 8 HD13 LEU 8 49.009 -33.838 2.342
64 HD21 LEU 8 HD21 LEU 8 49.876 -30.276 2.421
65 HD22 LEU 8 HD22 LEU 8 48.237 -29.650 2.571
66 HD23 LEU 8 HD23 LEU 8 48.785 -30.331 1.040
67 H ASN 9 HN ASN 9 44.099 -32.880 3.971
68 HA ASN 9 HA ASN 9 42.396 -33.645 2.090
69 HB2 ASN 9 HB2 ASN 9 40.573 -33.557 3.669
70 HB3 ASN 9 HB1 ASN 9 42.050 -33.966 4.535
71 HD21 ASN 9 HD21 ASN 9 42.531 -30.800 3.828
72 HD22 ASN 9 HD22 ASN 9 41.829 -30.079 5.195
73 H HIS 10 HN HIS 10 40.419 -32.871 1.132
74 HA HIS 10 HA HIS 10 39.464 -31.367 -0.350
75 HB2 HIS 10 HB2 HIS 10 38.088 -31.045 1.561
76 HB3 HIS 10 HB1 HIS 10 39.316 -30.074 2.367
77 HD1 HIS 10 HD1 HIS 10 37.527 -28.116 2.532
78 HD2 HIS 10 HD2 HIS 10 38.627 -29.156 -1.353
79 HE1 HIS 10 HE1 HIS 10 36.722 -26.239 1.032
80 HE2 HIS 10 HE2 HIS 10 37.385 -26.858 -1.340
81 HN1 NH2 11 HN1 NH2 11 41.518 -30.843 -1.062
82 HN2 NH2 11 HN2 NH2 11 41.786 -29.443 -1.982
Start of MODEL 4
1 H1 ACE 1 HA2 ACE 1 45.967 -40.929 1.669
2 H2 ACE 1 HA3 ACE 1 46.032 -42.619 2.171
3 H3 ACE 1 HA1 ACE 1 47.233 -41.472 2.770
4 H VAL 2 HN VAL 2 46.584 -42.148 4.931
5 HA VAL 2 HA VAL 2 44.312 -40.629 5.933
6 HB VAL 2 HB VAL 2 43.593 -42.506 7.307
7 HG11 VAL 2 HG11 VAL 2 42.670 -42.207 5.000
8 HG12 VAL 2 HG12 VAL 2 42.639 -43.885 5.542
9 HG13 VAL 2 HG13 VAL 2 43.881 -43.346 4.414
10 HG21 VAL 2 HG21 VAL 2 44.603 -44.785 6.712
11 HG22 VAL 2 HG22 VAL 2 45.618 -43.710 7.673
12 HG23 VAL 2 HG23 VAL 2 45.908 -43.883 5.941
13 H LEU 3 HN LEU 3 47.333 -40.585 5.918
14 HA LEU 3 HA LEU 3 47.737 -40.347 8.849
15 HB2 LEU 3 HB2 LEU 3 49.759 -41.194 6.763
16 HB3 LEU 3 HB1 LEU 3 50.077 -41.004 8.487
17 HG LEU 3 HG LEU 3 47.870 -42.833 7.549
18 HD11 LEU 3 HD11 LEU 3 49.747 -43.651 6.296
19 HD12 LEU 3 HD12 LEU 3 49.588 -44.698 7.706
20 HD13 LEU 3 HD13 LEU 3 50.832 -43.449 7.672
21 HD21 LEU 3 HD21 LEU 3 47.960 -42.385 9.937
22 HD22 LEU 3 HD22 LEU 3 49.687 -42.739 9.982
23 HD23 LEU 3 HD23 LEU 3 48.530 -44.030 9.665
24 H VAL 4 HN VAL 4 47.621 -38.879 5.869
25 HA VAL 4 HA VAL 4 48.742 -36.395 6.916
26 HB VAL 4 HB VAL 4 50.132 -36.035 4.921
27 HG11 VAL 4 HG11 VAL 4 51.938 -37.473 5.566
28 HG12 VAL 4 HG12 VAL 4 50.827 -38.700 6.175
29 HG13 VAL 4 HG13 VAL 4 51.005 -37.168 7.030
30 HG21 VAL 4 HG21 VAL 4 48.956 -37.400 3.306
31 HG22 VAL 4 HG22 VAL 4 49.237 -38.855 4.262
32 HG23 VAL 4 HG23 VAL 4 50.589 -38.049 3.466
33 H ASN 5 HN ASN 5 46.646 -38.157 4.905
34 HA ASN 5 HA ASN 5 45.834 -36.153 3.112
35 HB2 ASN 5 HB2 ASN 5 45.353 -38.607 2.893
36 HB3 ASN 5 HB1 ASN 5 44.152 -38.424 4.172
37 HD21 ASN 5 HD21 ASN 5 43.546 -39.182 1.400
38 HD22 ASN 5 HD22 ASN 5 42.558 -37.957 0.764
39 H GLU 6 HN GLU 6 44.531 -37.237 6.223
40 HA GLU 6 HA GLU 6 42.312 -35.738 6.498
41 HB2 GLU 6 HB2 GLU 6 44.392 -36.535 8.480
42 HB3 GLU 6 HB1 GLU 6 42.963 -35.643 8.992
43 HG2 GLU 6 HG2 GLU 6 42.556 -38.038 9.244
44 HG3 GLU 6 HG1 GLU 6 41.542 -37.411 7.947
45 H ILE 7 HN ILE 7 45.431 -34.559 6.107
46 HA ILE 7 HA ILE 7 44.873 -31.953 7.326
47 HB ILE 7 HB ILE 7 47.358 -33.051 6.041
48 HG12 ILE 7 HG12 ILE 7 46.850 -32.470 8.967
49 HG13 ILE 7 HG11 ILE 7 46.495 -34.045 8.258
50 HG21 ILE 7 HG21 ILE 7 48.389 -31.049 7.250
51 HG22 ILE 7 HG22 ILE 7 46.742 -30.449 7.458
52 HG23 ILE 7 HG23 ILE 7 47.403 -30.666 5.837
53 HD11 ILE 7 HD11 ILE 7 49.187 -32.653 8.367
54 HD12 ILE 7 HD12 ILE 7 48.885 -34.121 7.439
55 HD13 ILE 7 HD13 ILE 7 48.727 -34.141 9.194
56 H LEU 8 HN LEU 8 46.672 -32.779 4.395
57 HA LEU 8 HA LEU 8 46.070 -30.481 2.960
58 HB2 LEU 8 HB2 LEU 8 46.599 -33.270 1.910
59 HB3 LEU 8 HB1 LEU 8 46.671 -31.800 0.941
60 HG LEU 8 HG LEU 8 48.291 -31.976 3.477
61 HD11 LEU 8 HD11 LEU 8 48.876 -34.027 2.299
62 HD12 LEU 8 HD12 LEU 8 50.190 -32.865 2.114
63 HD13 LEU 8 HD13 LEU 8 49.064 -33.141 0.785
64 HD21 LEU 8 HD21 LEU 8 48.646 -30.573 0.806
65 HD22 LEU 8 HD22 LEU 8 49.812 -30.511 2.125
66 HD23 LEU 8 HD23 LEU 8 48.206 -29.820 2.338
67 H ASN 9 HN ASN 9 44.036 -32.957 3.913
68 HA ASN 9 HA ASN 9 42.233 -33.605 2.079
69 HB2 ASN 9 HB2 ASN 9 41.874 -34.135 4.412
70 HB3 ASN 9 HB1 ASN 9 41.572 -32.441 4.786
71 HD21 ASN 9 HD21 ASN 9 40.041 -35.365 3.950
72 HD22 ASN 9 HD22 ASN 9 38.533 -34.723 3.502
73 H HIS 10 HN HIS 10 40.685 -32.720 0.782
74 HA HIS 10 HA HIS 10 40.808 -30.213 -0.225
75 HB2 HIS 10 HB2 HIS 10 39.398 -31.929 -1.206
76 HB3 HIS 10 HB1 HIS 10 38.300 -31.854 0.171
77 HD1 HIS 10 HD1 HIS 10 36.240 -30.678 -0.606
78 HD2 HIS 10 HD2 HIS 10 39.691 -28.849 -2.064
79 HE1 HIS 10 HE1 HIS 10 35.480 -28.614 -1.861
80 HE2 HIS 10 HE2 HIS 10 37.573 -27.487 -2.756
81 HN1 NH2 11 HN1 NH2 11 39.281 -28.183 0.983
82 HN2 NH2 11 HN2 NH2 11 40.747 -27.904 1.794
Start of MODEL 5
1 H1 ACE 1 HA2 ACE 1 45.837 -40.732 1.604
2 H2 ACE 1 HA3 ACE 1 46.425 -42.305 2.138
3 H3 ACE 1 HA1 ACE 1 47.172 -40.832 2.752
4 H VAL 2 HN VAL 2 46.691 -40.741 4.874
5 HA VAL 2 HA VAL 2 44.133 -40.174 5.790
6 HB VAL 2 HB VAL 2 43.405 -42.376 5.529
7 HG11 VAL 2 HG11 VAL 2 45.294 -43.555 4.806
8 HG12 VAL 2 HG12 VAL 2 44.976 -44.301 6.369
9 HG13 VAL 2 HG13 VAL 2 46.248 -43.090 6.213
10 HG21 VAL 2 HG21 VAL 2 43.265 -41.516 7.943
11 HG22 VAL 2 HG22 VAL 2 44.646 -42.560 8.283
12 HG23 VAL 2 HG23 VAL 2 43.123 -43.262 7.733
13 H LEU 3 HN LEU 3 47.375 -40.746 6.217
14 HA LEU 3 HA LEU 3 47.378 -40.122 9.100
15 HB2 LEU 3 HB2 LEU 3 49.645 -40.936 7.260
16 HB3 LEU 3 HB1 LEU 3 49.781 -40.680 8.999
17 HG LEU 3 HG LEU 3 47.731 -42.617 7.939
18 HD11 LEU 3 HD11 LEU 3 49.467 -44.425 8.234
19 HD12 LEU 3 HD12 LEU 3 50.688 -43.154 8.327
20 HD13 LEU 3 HD13 LEU 3 49.750 -43.368 6.848
21 HD21 LEU 3 HD21 LEU 3 48.238 -43.728 10.126
22 HD22 LEU 3 HD22 LEU 3 47.655 -42.077 10.321
23 HD23 LEU 3 HD23 LEU 3 49.374 -42.430 10.487
24 H VAL 4 HN VAL 4 47.927 -38.837 5.996
25 HA VAL 4 HA VAL 4 48.700 -36.231 7.133
26 HB VAL 4 HB VAL 4 50.340 -35.899 5.336
27 HG11 VAL 4 HG11 VAL 4 51.086 -36.842 7.503
28 HG12 VAL 4 HG12 VAL 4 52.059 -37.453 6.165
29 HG13 VAL 4 HG13 VAL 4 50.807 -38.470 6.880
30 HG21 VAL 4 HG21 VAL 4 49.578 -38.748 4.632
31 HG22 VAL 4 HG22 VAL 4 51.023 -37.950 4.014
32 HG23 VAL 4 HG23 VAL 4 49.427 -37.319 3.609
33 H ASN 5 HN ASN 5 46.921 -38.163 5.000
34 HA ASN 5 HA ASN 5 46.265 -36.222 3.044
35 HB2 ASN 5 HB2 ASN 5 46.008 -38.722 2.814
36 HB3 ASN 5 HB1 ASN 5 44.590 -38.594 3.851
37 HD21 ASN 5 HD21 ASN 5 45.092 -39.091 0.760
38 HD22 ASN 5 HD22 ASN 5 43.935 -38.077 0.043
39 H GLU 6 HN GLU 6 44.657 -37.405 5.966
40 HA GLU 6 HA GLU 6 42.306 -36.094 5.943
41 HB2 GLU 6 HB2 GLU 6 44.196 -36.744 8.151
42 HB3 GLU 6 HB1 GLU 6 42.694 -35.896 8.513
43 HG2 GLU 6 HG2 GLU 6 41.430 -37.721 7.395
44 HG3 GLU 6 HG1 GLU 6 42.944 -38.577 7.112
45 H ILE 7 HN ILE 7 45.370 -34.696 5.982
46 HA ILE 7 HA ILE 7 44.488 -32.121 7.043
47 HB ILE 7 HB ILE 7 47.160 -33.054 6.022
48 HG12 ILE 7 HG12 ILE 7 46.315 -32.464 8.869
49 HG13 ILE 7 HG11 ILE 7 46.167 -34.074 8.165
50 HG21 ILE 7 HG21 ILE 7 47.057 -30.673 5.768
51 HG22 ILE 7 HG22 ILE 7 47.924 -30.961 7.276
52 HG23 ILE 7 HG23 ILE 7 46.230 -30.479 7.314
53 HD11 ILE 7 HD11 ILE 7 48.704 -32.459 8.538
54 HD12 ILE 7 HD12 ILE 7 48.633 -33.943 7.589
55 HD13 ILE 7 HD13 ILE 7 48.287 -33.983 9.318
56 H LEU 8 HN LEU 8 46.610 -32.856 4.307
57 HA LEU 8 HA LEU 8 45.925 -30.622 2.778
58 HB2 LEU 8 HB2 LEU 8 46.900 -33.335 1.853
59 HB3 LEU 8 HB1 LEU 8 46.901 -31.874 0.865
60 HG LEU 8 HG LEU 8 48.239 -31.830 3.567
61 HD11 LEU 8 HD11 LEU 8 50.350 -32.560 2.537
62 HD12 LEU 8 HD12 LEU 8 49.522 -32.832 1.004
63 HD13 LEU 8 HD13 LEU 8 49.132 -33.830 2.405
64 HD21 LEU 8 HD21 LEU 8 48.722 -30.422 0.917
65 HD22 LEU 8 HD22 LEU 8 49.715 -30.205 2.356
66 HD23 LEU 8 HD23 LEU 8 48.024 -29.712 2.371
67 H ASN 9 HN ASN 9 44.082 -33.258 3.601
68 HA ASN 9 HA ASN 9 42.582 -34.209 1.647
69 HB2 ASN 9 HB2 ASN 9 41.991 -34.596 3.962
70 HB3 ASN 9 HB1 ASN 9 41.475 -32.922 4.145
71 HD21 ASN 9 HD21 ASN 9 40.781 -34.703 1.174
72 HD22 ASN 9 HD22 ASN 9 39.110 -34.840 1.438
73 H HIS 10 HN HIS 10 40.759 -31.630 3.099
74 HA HIS 10 HA HIS 10 39.306 -30.830 0.971
75 HB2 HIS 10 HB2 HIS 10 38.947 -29.927 3.196
76 HB3 HIS 10 HB1 HIS 10 40.462 -29.031 3.105
77 HD1 HIS 10 HD1 HIS 10 40.526 -27.409 0.784
78 HD2 HIS 10 HD2 HIS 10 36.817 -28.358 2.437
79 HE1 HIS 10 HE1 HIS 10 38.887 -25.696 -0.104
80 HE2 HIS 10 HE2 HIS 10 36.621 -26.259 0.895
81 HN1 NH2 11 HN1 NH2 11 40.232 -30.502 -1.128
82 HN2 NH2 11 HN2 NH2 11 40.868 -28.945 -1.353
Start of MODEL 6
1 H1 ACE 1 HA2 ACE 1 45.949 -42.494 1.942
2 H2 ACE 1 HA3 ACE 1 47.231 -42.513 3.152
3 H3 ACE 1 HA1 ACE 1 46.945 -41.060 2.193
4 H VAL 2 HN VAL 2 46.624 -42.135 5.200
5 HA VAL 2 HA VAL 2 44.389 -40.383 5.801
6 HB VAL 2 HB VAL 2 43.507 -42.127 7.386
7 HG11 VAL 2 HG11 VAL 2 42.241 -43.274 5.656
8 HG12 VAL 2 HG12 VAL 2 43.482 -42.896 4.460
9 HG13 VAL 2 HG13 VAL 2 42.500 -41.604 5.151
10 HG21 VAL 2 HG21 VAL 2 45.108 -44.034 5.676
11 HG22 VAL 2 HG22 VAL 2 44.184 -44.405 7.130
12 HG23 VAL 2 HG23 VAL 2 45.676 -43.474 7.246
13 H LEU 3 HN LEU 3 47.362 -40.552 6.109
14 HA LEU 3 HA LEU 3 47.533 -40.219 9.058
15 HB2 LEU 3 HB2 LEU 3 49.716 -41.003 7.112
16 HB3 LEU 3 HB1 LEU 3 49.908 -40.812 8.854
17 HG LEU 3 HG LEU 3 47.822 -42.696 7.763
18 HD11 LEU 3 HD11 LEU 3 50.786 -43.221 8.070
19 HD12 LEU 3 HD12 LEU 3 49.789 -43.470 6.636
20 HD13 LEU 3 HD13 LEU 3 49.587 -44.513 8.045
21 HD21 LEU 3 HD21 LEU 3 47.737 -42.257 10.152
22 HD22 LEU 3 HD22 LEU 3 49.465 -42.561 10.314
23 HD23 LEU 3 HD23 LEU 3 48.371 -43.884 9.915
24 H VAL 4 HN VAL 4 47.756 -38.800 6.007
25 HA VAL 4 HA VAL 4 48.636 -36.253 7.153
26 HB VAL 4 HB VAL 4 50.243 -35.880 5.324
27 HG11 VAL 4 HG11 VAL 4 50.871 -38.482 6.739
28 HG12 VAL 4 HG12 VAL 4 50.900 -36.918 7.555
29 HG13 VAL 4 HG13 VAL 4 52.008 -37.237 6.221
30 HG21 VAL 4 HG21 VAL 4 49.325 -37.331 3.620
31 HG22 VAL 4 HG22 VAL 4 49.538 -38.750 4.645
32 HG23 VAL 4 HG23 VAL 4 50.948 -37.911 3.996
33 H ASN 5 HN ASN 5 46.871 -38.120 4.926
34 HA ASN 5 HA ASN 5 46.204 -36.128 3.046
35 HB2 ASN 5 HB2 ASN 5 45.923 -38.640 2.795
36 HB3 ASN 5 HB1 ASN 5 44.483 -38.481 3.798
37 HD21 ASN 5 HD21 ASN 5 45.018 -38.995 0.725
38 HD22 ASN 5 HD22 ASN 5 43.918 -37.937 -0.017
39 H GLU 6 HN GLU 6 44.658 -37.309 5.997
40 HA GLU 6 HA GLU 6 42.290 -36.022 6.004
41 HB2 GLU 6 HB2 GLU 6 43.539 -37.510 7.811
42 HB3 GLU 6 HB1 GLU 6 43.901 -35.944 8.528
43 HG2 GLU 6 HG2 GLU 6 41.105 -36.884 7.809
44 HG3 GLU 6 HG1 GLU 6 41.803 -36.980 9.423
45 H ILE 7 HN ILE 7 45.361 -34.620 6.029
46 HA ILE 7 HA ILE 7 44.479 -32.028 7.045
47 HB ILE 7 HB ILE 7 47.155 -32.972 6.048
48 HG12 ILE 7 HG12 ILE 7 46.335 -32.358 8.896
49 HG13 ILE 7 HG11 ILE 7 46.131 -33.968 8.206
50 HG21 ILE 7 HG21 ILE 7 47.078 -30.601 5.779
51 HG22 ILE 7 HG22 ILE 7 47.902 -30.871 7.317
52 HG23 ILE 7 HG23 ILE 7 46.207 -30.387 7.298
53 HD11 ILE 7 HD11 ILE 7 48.576 -33.958 7.619
54 HD12 ILE 7 HD12 ILE 7 48.273 -33.888 9.355
55 HD13 ILE 7 HD13 ILE 7 48.730 -32.426 8.481
56 H LEU 8 HN LEU 8 46.610 -32.810 4.327
57 HA LEU 8 HA LEU 8 45.969 -30.588 2.770
58 HB2 LEU 8 HB2 LEU 8 46.883 -33.335 1.884
59 HB3 LEU 8 HB1 LEU 8 46.898 -31.897 0.865
60 HG LEU 8 HG LEU 8 48.263 -31.818 3.552
61 HD11 LEU 8 HD11 LEU 8 49.502 -32.891 0.997
62 HD12 LEU 8 HD12 LEU 8 49.116 -33.853 2.424
63 HD13 LEU 8 HD13 LEU 8 50.352 -32.598 2.516
64 HD21 LEU 8 HD21 LEU 8 48.074 -29.718 2.322
65 HD22 LEU 8 HD22 LEU 8 48.737 -30.468 0.871
66 HD23 LEU 8 HD23 LEU 8 49.755 -30.243 2.292
67 H ASN 9 HN ASN 9 44.069 -33.181 3.613
68 HA ASN 9 HA ASN 9 42.539 -34.134 1.698
69 HB2 ASN 9 HB2 ASN 9 41.928 -34.410 4.026
70 HB3 ASN 9 HB1 ASN 9 41.452 -32.717 4.134
71 HD21 ASN 9 HD21 ASN 9 40.695 -34.327 1.138
72 HD22 ASN 9 HD22 ASN 9 39.035 -34.528 1.435
73 H HIS 10 HN HIS 10 40.646 -31.562 2.994
74 HA HIS 10 HA HIS 10 39.405 -30.808 0.686
75 HB2 HIS 10 HB2 HIS 10 38.770 -28.761 1.796
76 HB3 HIS 10 HB1 HIS 10 38.781 -30.063 2.984
77 HD1 HIS 10 HD1 HIS 10 41.065 -27.275 1.741
78 HD2 HIS 10 HD2 HIS 10 40.424 -29.570 5.161
79 HE1 HIS 10 HE1 HIS 10 42.593 -26.336 3.530
80 HE2 HIS 10 HE2 HIS 10 42.214 -27.725 5.621
81 HN1 NH2 11 HN1 NH2 11 40.896 -28.199 -0.760
82 HN2 NH2 11 HN2 NH2 11 40.381 -29.652 -1.469
Start of MODEL 7
1 H1 ACE 1 HA2 ACE 1 45.416 -40.575 1.448
2 H2 ACE 1 HA3 ACE 1 46.292 -42.028 1.930
3 H3 ACE 1 HA1 ACE 1 46.820 -40.446 2.507
4 H VAL 2 HN VAL 2 46.529 -40.611 4.682
5 HA VAL 2 HA VAL 2 44.008 -40.334 5.802
6 HB VAL 2 HB VAL 2 43.450 -42.572 5.431
7 HG11 VAL 2 HG11 VAL 2 45.387 -43.533 4.526
8 HG12 VAL 2 HG12 VAL 2 45.225 -44.399 6.049
9 HG13 VAL 2 HG13 VAL 2 46.380 -43.077 5.907
10 HG21 VAL 2 HG21 VAL 2 43.410 -41.859 7.902
11 HG22 VAL 2 HG22 VAL 2 44.872 -42.827 8.085
12 HG23 VAL 2 HG23 VAL 2 43.364 -43.594 7.583
13 H LEU 3 HN LEU 3 47.311 -40.752 5.984
14 HA LEU 3 HA LEU 3 47.440 -40.129 8.876
15 HB2 LEU 3 HB2 LEU 3 49.586 -41.129 6.989
16 HB3 LEU 3 HB1 LEU 3 49.818 -40.796 8.704
17 HG LEU 3 HG LEU 3 47.632 -42.677 7.827
18 HD11 LEU 3 HD11 LEU 3 50.580 -43.311 8.092
19 HD12 LEU 3 HD12 LEU 3 49.533 -43.617 6.706
20 HD13 LEU 3 HD13 LEU 3 49.322 -44.543 8.192
21 HD21 LEU 3 HD21 LEU 3 49.374 -42.427 10.302
22 HD22 LEU 3 HD22 LEU 3 48.191 -43.707 10.049
23 HD23 LEU 3 HD23 LEU 3 47.660 -42.034 10.178
24 H VAL 4 HN VAL 4 47.844 -38.939 5.739
25 HA VAL 4 HA VAL 4 48.931 -36.386 6.756
26 HB VAL 4 HB VAL 4 50.290 -36.163 4.726
27 HG11 VAL 4 HG11 VAL 4 52.012 -37.753 5.307
28 HG12 VAL 4 HG12 VAL 4 50.833 -38.839 6.042
29 HG13 VAL 4 HG13 VAL 4 51.196 -37.288 6.800
30 HG21 VAL 4 HG21 VAL 4 48.989 -37.469 3.161
31 HG22 VAL 4 HG22 VAL 4 49.192 -38.927 4.133
32 HG23 VAL 4 HG23 VAL 4 50.575 -38.228 3.292
33 H ASN 5 HN ASN 5 46.727 -38.168 4.889
34 HA ASN 5 HA ASN 5 45.889 -36.135 3.099
35 HB2 ASN 5 HB2 ASN 5 45.438 -38.549 2.745
36 HB3 ASN 5 HB1 ASN 5 44.330 -38.516 4.114
37 HD21 ASN 5 HD21 ASN 5 44.242 -38.502 0.838
38 HD22 ASN 5 HD22 ASN 5 42.865 -37.545 0.578
39 H GLU 6 HN GLU 6 44.685 -37.329 6.203
40 HA GLU 6 HA GLU 6 42.432 -35.899 6.571
41 HB2 GLU 6 HB2 GLU 6 44.589 -36.725 8.451
42 HB3 GLU 6 HB1 GLU 6 43.201 -35.824 9.055
43 HG2 GLU 6 HG2 GLU 6 42.955 -38.357 7.414
44 HG3 GLU 6 HG1 GLU 6 42.979 -38.350 9.177
45 H ILE 7 HN ILE 7 45.521 -34.654 6.143
46 HA ILE 7 HA ILE 7 44.958 -32.079 7.413
47 HB ILE 7 HB ILE 7 47.399 -33.124 6.002
48 HG12 ILE 7 HG12 ILE 7 46.994 -32.574 8.952
49 HG13 ILE 7 HG11 ILE 7 46.661 -34.152 8.241
50 HG21 ILE 7 HG21 ILE 7 47.421 -30.740 5.814
51 HG22 ILE 7 HG22 ILE 7 48.451 -31.115 7.196
52 HG23 ILE 7 HG23 ILE 7 46.805 -30.537 7.455
53 HD11 ILE 7 HD11 ILE 7 49.031 -34.124 7.326
54 HD12 ILE 7 HD12 ILE 7 48.919 -34.217 9.082
55 HD13 ILE 7 HD13 ILE 7 49.313 -32.685 8.305
56 H LEU 8 HN LEU 8 46.639 -32.819 4.391
57 HA LEU 8 HA LEU 8 45.907 -30.505 3.031
58 HB2 LEU 8 HB2 LEU 8 46.515 -33.248 1.906
59 HB3 LEU 8 HB1 LEU 8 46.494 -31.756 0.968
60 HG LEU 8 HG LEU 8 48.200 -31.910 3.448
61 HD11 LEU 8 HD11 LEU 8 48.792 -33.926 2.180
62 HD12 LEU 8 HD12 LEU 8 50.086 -32.733 2.064
63 HD13 LEU 8 HD13 LEU 8 48.978 -32.966 0.712
64 HD21 LEU 8 HD21 LEU 8 48.421 -30.458 0.790
65 HD22 LEU 8 HD22 LEU 8 49.618 -30.364 2.078
66 HD23 LEU 8 HD23 LEU 8 47.991 -29.743 2.344
67 H ASN 9 HN ASN 9 44.000 -33.053 4.022
68 HA ASN 9 HA ASN 9 42.165 -33.773 2.256
69 HB2 ASN 9 HB2 ASN 9 41.897 -34.285 4.609
70 HB3 ASN 9 HB1 ASN 9 41.536 -32.598 4.967
71 HD21 ASN 9 HD21 ASN 9 39.333 -32.644 5.529
72 HD22 ASN 9 HD22 ASN 9 38.116 -33.318 4.556
73 H HIS 10 HN HIS 10 41.119 -32.791 0.643
74 HA HIS 10 HA HIS 10 40.986 -30.165 0.016
75 HB2 HIS 10 HB2 HIS 10 40.182 -31.901 -1.483
76 HB3 HIS 10 HB1 HIS 10 38.802 -32.208 -0.428
77 HD1 HIS 10 HD1 HIS 10 37.211 -29.994 -0.031
78 HD2 HIS 10 HD2 HIS 10 39.682 -29.958 -3.388
79 HE1 HIS 10 HE1 HIS 10 36.289 -28.215 -1.582
80 HE2 HIS 10 HE2 HIS 10 37.786 -28.181 -3.631
81 HN1 NH2 11 HN1 NH2 11 38.084 -29.741 1.942
82 HN2 NH2 11 HN2 NH2 11 37.261 -31.060 1.261
Start of MODEL 8
1 H1 ACE 1 HA2 ACE 1 48.269 -43.429 3.447
2 H2 ACE 1 HA3 ACE 1 48.954 -41.846 3.819
3 H3 ACE 1 HA1 ACE 1 47.463 -41.963 2.887
4 H VAL 2 HN VAL 2 45.874 -41.202 4.111
5 HA VAL 2 HA VAL 2 44.528 -40.668 5.828
6 HB VAL 2 HB VAL 2 43.631 -42.545 7.037
7 HG11 VAL 2 HG11 VAL 2 44.344 -43.080 4.155
8 HG12 VAL 2 HG12 VAL 2 42.880 -42.320 4.777
9 HG13 VAL 2 HG13 VAL 2 43.167 -44.039 5.050
10 HG21 VAL 2 HG21 VAL 2 44.594 -44.713 7.081
11 HG22 VAL 2 HG22 VAL 2 45.937 -43.637 7.431
12 HG23 VAL 2 HG23 VAL 2 45.751 -44.317 5.816
13 H LEU 3 HN LEU 3 47.460 -40.411 6.231
14 HA LEU 3 HA LEU 3 47.426 -40.114 9.184
15 HB2 LEU 3 HB2 LEU 3 49.765 -40.914 7.435
16 HB3 LEU 3 HB1 LEU 3 49.854 -40.593 9.168
17 HG LEU 3 HG LEU 3 47.867 -42.603 8.144
18 HD11 LEU 3 HD11 LEU 3 49.876 -43.386 7.089
19 HD12 LEU 3 HD12 LEU 3 49.656 -44.366 8.539
20 HD13 LEU 3 HD13 LEU 3 50.836 -43.055 8.530
21 HD21 LEU 3 HD21 LEU 3 49.487 -42.317 10.697
22 HD22 LEU 3 HD22 LEU 3 48.374 -43.643 10.366
23 HD23 LEU 3 HD23 LEU 3 47.763 -41.996 10.508
24 H VAL 4 HN VAL 4 47.551 -38.743 6.207
25 HA VAL 4 HA VAL 4 48.396 -36.159 7.261
26 HB VAL 4 HB VAL 4 50.521 -36.862 6.476
27 HG11 VAL 4 HG11 VAL 4 50.788 -37.912 4.214
28 HG12 VAL 4 HG12 VAL 4 49.031 -37.968 4.080
29 HG13 VAL 4 HG13 VAL 4 49.848 -38.897 5.335
30 HG21 VAL 4 HG21 VAL 4 49.351 -35.531 4.023
31 HG22 VAL 4 HG22 VAL 4 50.982 -35.366 4.676
32 HG23 VAL 4 HG23 VAL 4 49.615 -34.650 5.529
33 H ASN 5 HN ASN 5 47.115 -38.137 4.706
34 HA ASN 5 HA ASN 5 46.197 -36.329 2.880
35 HB2 ASN 5 HB2 ASN 5 45.959 -38.846 2.817
36 HB3 ASN 5 HB1 ASN 5 44.543 -38.655 3.849
37 HD21 ASN 5 HD21 ASN 5 45.239 -39.163 0.707
38 HD22 ASN 5 HD22 ASN 5 43.989 -38.285 -0.035
39 H GLU 6 HN GLU 6 44.695 -37.245 5.948
40 HA GLU 6 HA GLU 6 42.298 -35.976 5.795
41 HB2 GLU 6 HB2 GLU 6 43.263 -37.401 7.691
42 HB3 GLU 6 HB1 GLU 6 43.956 -35.897 8.296
43 HG2 GLU 6 HG2 GLU 6 41.852 -36.143 9.405
44 HG3 GLU 6 HG1 GLU 6 41.612 -34.908 8.171
45 H ILE 7 HN ILE 7 45.419 -34.588 6.144
46 HA ILE 7 HA ILE 7 44.491 -31.978 6.959
47 HB ILE 7 HB ILE 7 47.180 -32.873 5.950
48 HG12 ILE 7 HG12 ILE 7 46.373 -32.292 8.808
49 HG13 ILE 7 HG11 ILE 7 46.192 -33.902 8.116
50 HG21 ILE 7 HG21 ILE 7 46.201 -30.327 7.261
51 HG22 ILE 7 HG22 ILE 7 46.998 -30.496 5.696
52 HG23 ILE 7 HG23 ILE 7 47.908 -30.767 7.182
53 HD11 ILE 7 HD11 ILE 7 48.764 -32.317 8.374
54 HD12 ILE 7 HD12 ILE 7 48.630 -33.843 7.503
55 HD13 ILE 7 HD13 ILE 7 48.342 -33.794 9.241
56 H LEU 8 HN LEU 8 46.576 -32.845 4.228
57 HA LEU 8 HA LEU 8 45.946 -30.646 2.629
58 HB2 LEU 8 HB2 LEU 8 46.788 -33.430 1.789
59 HB3 LEU 8 HB1 LEU 8 46.818 -32.013 0.741
60 HG LEU 8 HG LEU 8 48.230 -31.914 3.403
61 HD11 LEU 8 HD11 LEU 8 50.281 -32.766 2.358
62 HD12 LEU 8 HD12 LEU 8 49.413 -33.049 0.849
63 HD13 LEU 8 HD13 LEU 8 49.013 -33.990 2.286
64 HD21 LEU 8 HD21 LEU 8 49.732 -30.393 2.090
65 HD22 LEU 8 HD22 LEU 8 48.064 -29.833 2.139
66 HD23 LEU 8 HD23 LEU 8 48.686 -30.623 0.690
67 H ASN 9 HN ASN 9 44.035 -33.193 3.581
68 HA ASN 9 HA ASN 9 42.444 -34.131 1.687
69 HB2 ASN 9 HB2 ASN 9 41.928 -34.454 4.034
70 HB3 ASN 9 HB1 ASN 9 41.458 -32.765 4.194
71 HD21 ASN 9 HD21 ASN 9 39.278 -33.603 4.867
72 HD22 ASN 9 HD22 ASN 9 38.185 -34.110 3.673
73 H HIS 10 HN HIS 10 40.898 -31.368 3.182
74 HA HIS 10 HA HIS 10 39.323 -30.565 1.133
75 HB2 HIS 10 HB2 HIS 10 39.195 -29.550 3.334
76 HB3 HIS 10 HB1 HIS 10 40.760 -28.773 3.099
77 HD1 HIS 10 HD1 HIS 10 37.987 -28.994 0.520
78 HD2 HIS 10 HD2 HIS 10 39.902 -26.120 2.854
79 HE1 HIS 10 HE1 HIS 10 37.137 -26.743 -0.275
80 HE2 HIS 10 HE2 HIS 10 38.295 -24.982 1.139
81 HN1 NH2 11 HN1 NH2 11 42.430 -28.404 -0.025
82 HN2 NH2 11 HN2 NH2 11 41.932 -27.943 1.532
Start of MODEL 9
1 H1 ACE 1 HA2 ACE 1 48.004 -42.664 3.248
2 H2 ACE 1 HA3 ACE 1 47.057 -41.227 2.866
3 H3 ACE 1 HA1 ACE 1 46.405 -42.828 2.524
4 H VAL 2 HN VAL 2 45.498 -40.535 4.287
5 HA VAL 2 HA VAL 2 44.267 -40.347 6.196
6 HB VAL 2 HB VAL 2 44.880 -43.155 6.945
7 HG11 VAL 2 HG11 VAL 2 42.267 -41.660 7.044
8 HG12 VAL 2 HG12 VAL 2 43.465 -41.541 8.330
9 HG13 VAL 2 HG13 VAL 2 42.729 -43.099 7.954
10 HG21 VAL 2 HG21 VAL 2 42.663 -43.500 5.417
11 HG22 VAL 2 HG22 VAL 2 44.290 -43.735 4.795
12 HG23 VAL 2 HG23 VAL 2 43.454 -42.214 4.505
13 H LEU 3 HN LEU 3 47.304 -40.648 5.842
14 HA LEU 3 HA LEU 3 48.070 -40.477 8.710
15 HB2 LEU 3 HB2 LEU 3 49.821 -41.056 6.309
16 HB3 LEU 3 HB1 LEU 3 50.332 -41.062 7.997
17 HG LEU 3 HG LEU 3 48.049 -42.816 7.096
18 HD11 LEU 3 HD11 LEU 3 49.808 -43.426 5.566
19 HD12 LEU 3 HD12 LEU 3 49.774 -44.651 6.835
20 HD13 LEU 3 HD13 LEU 3 51.012 -43.395 6.853
21 HD21 LEU 3 HD21 LEU 3 48.384 -42.643 9.495
22 HD22 LEU 3 HD22 LEU 3 50.112 -42.956 9.320
23 HD23 LEU 3 HD23 LEU 3 48.946 -44.231 8.976
24 H VAL 4 HN VAL 4 47.483 -38.778 5.936
25 HA VAL 4 HA VAL 4 48.540 -36.321 7.013
26 HB VAL 4 HB VAL 4 50.563 -36.879 5.951
27 HG11 VAL 4 HG11 VAL 4 49.868 -38.919 4.862
28 HG12 VAL 4 HG12 VAL 4 50.595 -37.877 3.638
29 HG13 VAL 4 HG13 VAL 4 48.841 -38.027 3.739
30 HG21 VAL 4 HG21 VAL 4 49.493 -34.687 5.136
31 HG22 VAL 4 HG22 VAL 4 49.089 -35.562 3.660
32 HG23 VAL 4 HG23 VAL 4 50.778 -35.353 4.128
33 H ASN 5 HN ASN 5 46.894 -38.148 4.584
34 HA ASN 5 HA ASN 5 45.790 -36.273 2.940
35 HB2 ASN 5 HB2 ASN 5 45.462 -38.798 2.917
36 HB3 ASN 5 HB1 ASN 5 44.170 -38.537 4.085
37 HD21 ASN 5 HD21 ASN 5 43.503 -39.610 1.572
38 HD22 ASN 5 HD22 ASN 5 42.656 -38.447 0.670
39 H GLU 6 HN GLU 6 44.665 -37.231 6.158
40 HA GLU 6 HA GLU 6 42.330 -35.869 6.359
41 HB2 GLU 6 HB2 GLU 6 43.504 -37.390 8.068
42 HB3 GLU 6 HB1 GLU 6 44.298 -35.921 8.625
43 HG2 GLU 6 HG2 GLU 6 41.286 -36.191 8.396
44 HG3 GLU 6 HG1 GLU 6 42.181 -36.519 9.877
45 H ILE 7 HN ILE 7 45.536 -34.613 6.425
46 HA ILE 7 HA ILE 7 44.824 -32.006 7.401
47 HB ILE 7 HB ILE 7 47.316 -32.945 6.005
48 HG12 ILE 7 HG12 ILE 7 46.921 -32.461 8.965
49 HG13 ILE 7 HG11 ILE 7 46.591 -34.034 8.242
50 HG21 ILE 7 HG21 ILE 7 47.184 -30.551 5.871
51 HG22 ILE 7 HG22 ILE 7 48.284 -30.919 7.199
52 HG23 ILE 7 HG23 ILE 7 46.626 -30.428 7.539
53 HD11 ILE 7 HD11 ILE 7 48.922 -34.031 7.313
54 HD12 ILE 7 HD12 ILE 7 48.876 -34.028 9.075
55 HD13 ILE 7 HD13 ILE 7 49.228 -32.538 8.199
56 H LEU 8 HN LEU 8 46.510 -32.786 4.387
57 HA LEU 8 HA LEU 8 45.747 -30.510 2.979
58 HB2 LEU 8 HB2 LEU 8 46.361 -33.278 1.918
59 HB3 LEU 8 HB1 LEU 8 46.295 -31.818 0.932
60 HG LEU 8 HG LEU 8 48.066 -31.885 3.372
61 HD11 LEU 8 HD11 LEU 8 49.919 -32.736 2.009
62 HD12 LEU 8 HD12 LEU 8 48.841 -32.915 0.625
63 HD13 LEU 8 HD13 LEU 8 48.613 -33.918 2.057
64 HD21 LEU 8 HD21 LEU 8 49.424 -30.346 1.917
65 HD22 LEU 8 HD22 LEU 8 47.806 -29.735 2.257
66 HD23 LEU 8 HD23 LEU 8 48.164 -30.461 0.690
67 H ASN 9 HN ASN 9 43.880 -33.052 4.053
68 HA ASN 9 HA ASN 9 42.014 -33.820 2.341
69 HB2 ASN 9 HB2 ASN 9 41.802 -34.286 4.707
70 HB3 ASN 9 HB1 ASN 9 41.442 -32.594 5.041
71 HD21 ASN 9 HD21 ASN 9 39.287 -32.995 5.849
72 HD22 ASN 9 HD22 ASN 9 38.036 -33.540 4.840
73 H HIS 10 HN HIS 10 41.808 -32.406 0.551
74 HA HIS 10 HA HIS 10 41.236 -29.765 0.415
75 HB2 HIS 10 HB2 HIS 10 40.095 -30.176 -1.674
76 HB3 HIS 10 HB1 HIS 10 41.445 -31.301 -1.536
77 HD1 HIS 10 HD1 HIS 10 40.856 -33.679 -1.974
78 HD2 HIS 10 HD2 HIS 10 37.548 -31.507 -0.665
79 HE1 HIS 10 HE1 HIS 10 38.886 -35.270 -2.028
80 HE2 HIS 10 HE2 HIS 10 36.862 -33.962 -1.230
81 HN1 NH2 11 HN1 NH2 11 37.956 -30.625 1.641
82 HN2 NH2 11 HN2 NH2 11 38.485 -32.198 1.998
Start of MODEL 10
1 H1 ACE 1 HA2 ACE 1 45.563 -41.272 1.691
2 H2 ACE 1 HA3 ACE 1 45.823 -42.847 2.441
3 H3 ACE 1 HA1 ACE 1 46.963 -41.532 2.731
4 H VAL 2 HN VAL 2 46.467 -42.091 5.033
5 HA VAL 2 HA VAL 2 44.331 -40.407 6.037
6 HB VAL 2 HB VAL 2 43.529 -42.136 7.541
7 HG11 VAL 2 HG11 VAL 2 42.630 -41.918 5.175
8 HG12 VAL 2 HG12 VAL 2 42.366 -43.488 5.935
9 HG13 VAL 2 HG13 VAL 2 43.659 -43.285 4.750
10 HG21 VAL 2 HG21 VAL 2 45.483 -43.447 7.935
11 HG22 VAL 2 HG22 VAL 2 45.701 -43.763 6.215
12 HG23 VAL 2 HG23 VAL 2 44.365 -44.515 7.087
13 H LEU 3 HN LEU 3 47.335 -40.568 5.886
14 HA LEU 3 HA LEU 3 47.919 -40.280 8.785
15 HB2 LEU 3 HB2 LEU 3 49.790 -41.156 6.573
16 HB3 LEU 3 HB1 LEU 3 50.219 -40.973 8.272
17 HG LEU 3 HG LEU 3 47.929 -42.768 7.480
18 HD11 LEU 3 HD11 LEU 3 50.861 -43.546 7.548
19 HD12 LEU 3 HD12 LEU 3 49.846 -43.488 6.108
20 HD13 LEU 3 HD13 LEU 3 49.510 -44.666 7.376
21 HD21 LEU 3 HD21 LEU 3 48.185 -42.324 9.857
22 HD22 LEU 3 HD22 LEU 3 49.904 -42.707 9.787
23 HD23 LEU 3 HD23 LEU 3 48.707 -43.977 9.547
24 H VAL 4 HN VAL 4 47.608 -38.816 5.828
25 HA VAL 4 HA VAL 4 48.801 -36.337 6.781
26 HB VAL 4 HB VAL 4 50.078 -36.006 4.690
27 HG11 VAL 4 HG11 VAL 4 51.949 -37.340 5.333
28 HG12 VAL 4 HG12 VAL 4 50.912 -38.598 6.006
29 HG13 VAL 4 HG13 VAL 4 51.052 -37.039 6.822
30 HG21 VAL 4 HG21 VAL 4 49.263 -38.887 4.205
31 HG22 VAL 4 HG22 VAL 4 50.514 -38.045 3.290
32 HG23 VAL 4 HG23 VAL 4 48.841 -37.492 3.213
33 H ASN 5 HN ASN 5 46.706 -38.140 4.766
34 HA ASN 5 HA ASN 5 45.780 -36.102 3.070
35 HB2 ASN 5 HB2 ASN 5 45.414 -38.613 2.847
36 HB3 ASN 5 HB1 ASN 5 44.134 -38.427 4.042
37 HD21 ASN 5 HD21 ASN 5 42.494 -38.987 2.406
38 HD22 ASN 5 HD22 ASN 5 42.058 -37.871 1.204
39 H GLU 6 HN GLU 6 44.641 -37.334 6.182
40 HA GLU 6 HA GLU 6 42.338 -35.985 6.562
41 HB2 GLU 6 HB2 GLU 6 43.615 -37.602 8.125
42 HB3 GLU 6 HB1 GLU 6 44.363 -36.145 8.774
43 HG2 GLU 6 HG2 GLU 6 42.471 -36.511 10.159
44 HG3 GLU 6 HG1 GLU 6 41.970 -35.238 9.047
45 H ILE 7 HN ILE 7 45.378 -34.624 6.118
46 HA ILE 7 HA ILE 7 44.713 -32.073 7.399
47 HB ILE 7 HB ILE 7 47.219 -33.017 6.031
48 HG12 ILE 7 HG12 ILE 7 46.774 -32.512 8.980
49 HG13 ILE 7 HG11 ILE 7 46.461 -34.089 8.257
50 HG21 ILE 7 HG21 ILE 7 46.493 -30.473 7.495
51 HG22 ILE 7 HG22 ILE 7 47.156 -30.636 5.869
52 HG23 ILE 7 HG23 ILE 7 48.165 -30.983 7.273
53 HD11 ILE 7 HD11 ILE 7 49.096 -32.588 8.276
54 HD12 ILE 7 HD12 ILE 7 48.815 -34.073 7.367
55 HD13 ILE 7 HD13 ILE 7 48.728 -34.086 9.128
56 H LEU 8 HN LEU 8 46.467 -32.771 4.405
57 HA LEU 8 HA LEU 8 45.717 -30.477 3.030
58 HB2 LEU 8 HB2 LEU 8 46.360 -33.217 1.915
59 HB3 LEU 8 HB1 LEU 8 46.327 -31.728 0.970
60 HG LEU 8 HG LEU 8 48.023 -31.861 3.460
61 HD11 LEU 8 HD11 LEU 8 48.808 -32.917 0.725
62 HD12 LEU 8 HD12 LEU 8 48.660 -33.864 2.205
63 HD13 LEU 8 HD13 LEU 8 49.927 -32.646 2.062
64 HD21 LEU 8 HD21 LEU 8 49.429 -30.298 2.095
65 HD22 LEU 8 HD22 LEU 8 47.795 -29.694 2.359
66 HD23 LEU 8 HD23 LEU 8 48.234 -30.400 0.804
67 H ASN 9 HN ASN 9 43.831 -33.054 3.999
68 HA ASN 9 HA ASN 9 42.013 -33.778 2.213
69 HB2 ASN 9 HB2 ASN 9 41.739 -34.321 4.557
70 HB3 ASN 9 HB1 ASN 9 41.366 -32.642 4.937
71 HD21 ASN 9 HD21 ASN 9 40.067 -35.621 3.589
72 HD22 ASN 9 HD22 ASN 9 38.474 -35.062 3.410
73 H HIS 10 HN HIS 10 41.846 -32.313 0.465
74 HA HIS 10 HA HIS 10 41.266 -29.670 0.394
75 HB2 HIS 10 HB2 HIS 10 40.179 -30.024 -1.733
76 HB3 HIS 10 HB1 HIS 10 41.529 -31.150 -1.595
77 HD1 HIS 10 HD1 HIS 10 39.450 -32.737 0.596
78 HD2 HIS 10 HD2 HIS 10 39.116 -32.166 -3.519
79 HE1 HIS 10 HE1 HIS 10 37.880 -34.535 -0.251
80 HE2 HIS 10 HE2 HIS 10 37.665 -34.200 -2.760
81 HN1 NH2 11 HN1 NH2 11 38.085 -31.203 0.728
82 HN2 NH2 11 HN2 NH2 11 38.324 -31.611 2.359
Start of MODEL 11
1 H1 ACE 1 HA2 ACE 1 45.458 -41.221 1.586
2 H2 ACE 1 HA3 ACE 1 45.924 -42.709 2.411
3 H3 ACE 1 HA1 ACE 1 46.896 -41.251 2.607
4 H VAL 2 HN VAL 2 46.366 -42.045 4.944
5 HA VAL 2 HA VAL 2 44.216 -40.382 5.955
6 HB VAL 2 HB VAL 2 43.353 -42.157 7.365
7 HG11 VAL 2 HG11 VAL 2 42.538 -41.856 4.977
8 HG12 VAL 2 HG12 VAL 2 42.240 -43.449 5.675
9 HG13 VAL 2 HG13 VAL 2 43.573 -43.215 4.543
10 HG21 VAL 2 HG21 VAL 2 44.192 -44.526 6.859
11 HG22 VAL 2 HG22 VAL 2 45.283 -43.494 7.783
12 HG23 VAL 2 HG23 VAL 2 45.562 -43.753 6.062
13 H LEU 3 HN LEU 3 47.229 -40.588 5.880
14 HA LEU 3 HA LEU 3 47.727 -40.392 8.802
15 HB2 LEU 3 HB2 LEU 3 49.649 -41.245 6.624
16 HB3 LEU 3 HB1 LEU 3 50.030 -41.113 8.341
17 HG LEU 3 HG LEU 3 47.732 -42.844 7.432
18 HD11 LEU 3 HD11 LEU 3 49.554 -43.663 6.086
19 HD12 LEU 3 HD12 LEU 3 49.370 -44.769 7.445
20 HD13 LEU 3 HD13 LEU 3 50.669 -43.579 7.448
21 HD21 LEU 3 HD21 LEU 3 48.425 -44.122 9.485
22 HD22 LEU 3 HD22 LEU 3 47.925 -42.468 9.827
23 HD23 LEU 3 HD23 LEU 3 49.638 -42.882 9.795
24 H VAL 4 HN VAL 4 47.620 -38.876 5.825
25 HA VAL 4 HA VAL 4 48.790 -36.429 6.907
26 HB VAL 4 HB VAL 4 50.193 -36.078 4.914
27 HG11 VAL 4 HG11 VAL 4 51.976 -37.534 5.573
28 HG12 VAL 4 HG12 VAL 4 50.848 -38.753 6.168
29 HG13 VAL 4 HG13 VAL 4 51.033 -37.225 7.032
30 HG21 VAL 4 HG21 VAL 4 50.626 -38.070 3.445
31 HG22 VAL 4 HG22 VAL 4 48.984 -37.444 3.306
32 HG23 VAL 4 HG23 VAL 4 49.295 -38.899 4.253
33 H ASN 5 HN ASN 5 46.683 -38.129 4.850
34 HA ASN 5 HA ASN 5 45.914 -36.064 3.099
35 HB2 ASN 5 HB2 ASN 5 45.445 -38.543 2.849
36 HB3 ASN 5 HB1 ASN 5 44.156 -38.325 4.032
37 HD21 ASN 5 HD21 ASN 5 44.197 -38.845 0.944
38 HD22 ASN 5 HD22 ASN 5 43.104 -37.687 0.352
39 H GLU 6 HN GLU 6 44.608 -37.227 6.174
40 HA GLU 6 HA GLU 6 42.359 -35.766 6.454
41 HB2 GLU 6 HB2 GLU 6 43.695 -37.417 8.074
42 HB3 GLU 6 HB1 GLU 6 44.159 -35.900 8.836
43 HG2 GLU 6 HG2 GLU 6 41.296 -36.748 8.283
44 HG3 GLU 6 HG1 GLU 6 42.102 -36.886 9.843
45 H ILE 7 HN ILE 7 45.480 -34.564 6.133
46 HA ILE 7 HA ILE 7 44.902 -31.973 7.373
47 HB ILE 7 HB ILE 7 47.394 -33.053 6.085
48 HG12 ILE 7 HG12 ILE 7 46.885 -32.506 9.017
49 HG13 ILE 7 HG11 ILE 7 46.520 -34.071 8.293
50 HG21 ILE 7 HG21 ILE 7 46.760 -30.464 7.513
51 HG22 ILE 7 HG22 ILE 7 47.462 -30.674 5.908
52 HG23 ILE 7 HG23 ILE 7 48.409 -31.062 7.344
53 HD11 ILE 7 HD11 ILE 7 48.904 -34.164 7.476
54 HD12 ILE 7 HD12 ILE 7 48.752 -34.178 9.232
55 HD13 ILE 7 HD13 ILE 7 49.222 -32.697 8.399
56 H LEU 8 HN LEU 8 46.699 -32.787 4.435
57 HA LEU 8 HA LEU 8 46.097 -30.461 3.027
58 HB2 LEU 8 HB2 LEU 8 46.681 -33.228 1.948
59 HB3 LEU 8 HB1 LEU 8 46.749 -31.743 1.003
60 HG LEU 8 HG LEU 8 48.329 -31.933 3.564
61 HD11 LEU 8 HD11 LEU 8 48.925 -33.972 2.331
62 HD12 LEU 8 HD12 LEU 8 50.254 -32.814 2.269
63 HD13 LEU 8 HD13 LEU 8 49.203 -33.024 0.870
64 HD21 LEU 8 HD21 LEU 8 48.720 -30.501 0.913
65 HD22 LEU 8 HD22 LEU 8 49.855 -30.433 2.259
66 HD23 LEU 8 HD23 LEU 8 48.234 -29.765 2.439
67 H ASN 9 HN ASN 9 44.068 -32.924 3.965
68 HA ASN 9 HA ASN 9 42.296 -33.656 2.158
69 HB2 ASN 9 HB2 ASN 9 40.515 -33.486 3.770
70 HB3 ASN 9 HB1 ASN 9 42.000 -33.883 4.629
71 HD21 ASN 9 HD21 ASN 9 42.793 -32.359 6.165
72 HD22 ASN 9 HD22 ASN 9 42.008 -30.894 6.505
73 H HIS 10 HN HIS 10 40.508 -32.870 1.007
74 HA HIS 10 HA HIS 10 39.580 -30.217 1.105
75 HB2 HIS 10 HB2 HIS 10 41.731 -29.630 0.150
76 HB3 HIS 10 HB1 HIS 10 41.534 -30.844 -1.114
77 HD1 HIS 10 HD1 HIS 10 38.819 -28.485 0.073
78 HD2 HIS 10 HD2 HIS 10 41.205 -29.100 -3.288
79 HE1 HIS 10 HE1 HIS 10 37.929 -26.942 -1.729
80 HE2 HIS 10 HE2 HIS 10 39.374 -27.306 -3.786
81 HN1 NH2 11 HN1 NH2 11 38.081 -31.326 -1.583
82 HN2 NH2 11 HN2 NH2 11 39.418 -31.273 -2.627
Start of MODEL 12
1 H1 ACE 1 HA2 ACE 1 45.350 -41.287 1.573
2 H2 ACE 1 HA3 ACE 1 45.995 -42.665 2.465
3 H3 ACE 1 HA1 ACE 1 46.806 -41.101 2.550
4 H VAL 2 HN VAL 2 46.366 -41.934 4.940
5 HA VAL 2 HA VAL 2 44.198 -40.324 5.963
6 HB VAL 2 HB VAL 2 43.410 -42.170 7.413
7 HG11 VAL 2 HG11 VAL 2 42.039 -43.194 5.752
8 HG12 VAL 2 HG12 VAL 2 43.277 -42.996 4.512
9 HG13 VAL 2 HG13 VAL 2 42.410 -41.588 5.125
10 HG21 VAL 2 HG21 VAL 2 45.425 -43.544 7.400
11 HG22 VAL 2 HG22 VAL 2 45.269 -43.799 5.663
12 HG23 VAL 2 HG23 VAL 2 44.079 -44.490 6.764
13 H LEU 3 HN LEU 3 47.200 -40.565 5.895
14 HA LEU 3 HA LEU 3 47.705 -40.459 8.824
15 HB2 LEU 3 HB2 LEU 3 49.625 -41.213 6.608
16 HB3 LEU 3 HB1 LEU 3 50.008 -41.153 8.328
17 HG LEU 3 HG LEU 3 47.714 -42.855 7.360
18 HD11 LEU 3 HD11 LEU 3 49.503 -43.631 5.962
19 HD12 LEU 3 HD12 LEU 3 49.385 -44.771 7.302
20 HD13 LEU 3 HD13 LEU 3 50.661 -43.553 7.290
21 HD21 LEU 3 HD21 LEU 3 49.649 -43.002 9.696
22 HD22 LEU 3 HD22 LEU 3 48.415 -44.213 9.351
23 HD23 LEU 3 HD23 LEU 3 47.942 -42.569 9.769
24 H VAL 4 HN VAL 4 47.457 -38.806 5.978
25 HA VAL 4 HA VAL 4 48.591 -36.387 7.099
26 HB VAL 4 HB VAL 4 50.611 -37.100 6.114
27 HG11 VAL 4 HG11 VAL 4 49.898 -39.069 4.968
28 HG12 VAL 4 HG12 VAL 4 50.609 -38.026 3.738
29 HG13 VAL 4 HG13 VAL 4 48.856 -38.145 3.885
30 HG21 VAL 4 HG21 VAL 4 49.734 -34.828 5.298
31 HG22 VAL 4 HG22 VAL 4 49.315 -35.651 3.796
32 HG23 VAL 4 HG23 VAL 4 50.998 -35.573 4.318
33 H ASN 5 HN ASN 5 46.954 -38.123 4.589
34 HA ASN 5 HA ASN 5 46.019 -36.155 2.936
35 HB2 ASN 5 HB2 ASN 5 45.600 -38.672 2.827
36 HB3 ASN 5 HB1 ASN 5 44.247 -38.384 3.918
37 HD21 ASN 5 HD21 ASN 5 42.523 -38.746 2.426
38 HD22 ASN 5 HD22 ASN 5 42.283 -37.790 1.043
39 H GLU 6 HN GLU 6 44.740 -37.140 6.084
40 HA GLU 6 HA GLU 6 42.430 -35.725 6.225
41 HB2 GLU 6 HB2 GLU 6 43.458 -37.286 7.961
42 HB3 GLU 6 HB1 GLU 6 44.336 -35.871 8.539
43 HG2 GLU 6 HG2 GLU 6 42.361 -35.963 9.866
44 HG3 GLU 6 HG1 GLU 6 42.064 -34.697 8.676
45 H ILE 7 HN ILE 7 45.655 -34.547 6.357
46 HA ILE 7 HA ILE 7 44.976 -31.927 7.349
47 HB ILE 7 HB ILE 7 47.492 -32.935 6.044
48 HG12 ILE 7 HG12 ILE 7 47.017 -32.439 8.991
49 HG13 ILE 7 HG11 ILE 7 46.645 -33.998 8.259
50 HG21 ILE 7 HG21 ILE 7 47.470 -30.553 5.902
51 HG22 ILE 7 HG22 ILE 7 48.459 -30.934 7.311
52 HG23 ILE 7 HG23 ILE 7 46.794 -30.393 7.522
53 HD11 ILE 7 HD11 ILE 7 48.999 -34.101 7.406
54 HD12 ILE 7 HD12 ILE 7 48.906 -34.073 9.167
55 HD13 ILE 7 HD13 ILE 7 49.343 -32.612 8.282
56 H LEU 8 HN LEU 8 46.736 -32.784 4.397
57 HA LEU 8 HA LEU 8 46.101 -30.480 2.957
58 HB2 LEU 8 HB2 LEU 8 46.685 -33.269 1.935
59 HB3 LEU 8 HB1 LEU 8 46.699 -31.813 0.940
60 HG LEU 8 HG LEU 8 48.364 -31.902 3.451
61 HD11 LEU 8 HD11 LEU 8 50.251 -32.821 2.172
62 HD12 LEU 8 HD12 LEU 8 49.215 -33.010 0.758
63 HD13 LEU 8 HD13 LEU 8 48.914 -33.971 2.205
64 HD21 LEU 8 HD21 LEU 8 48.203 -29.767 2.282
65 HD22 LEU 8 HD22 LEU 8 48.634 -30.532 0.753
66 HD23 LEU 8 HD23 LEU 8 49.823 -30.419 2.049
67 H ASN 9 HN ASN 9 44.131 -32.954 3.982
68 HA ASN 9 HA ASN 9 42.309 -33.708 2.222
69 HB2 ASN 9 HB2 ASN 9 42.001 -34.098 4.595
70 HB3 ASN 9 HB1 ASN 9 41.656 -32.391 4.860
71 HD21 ASN 9 HD21 ASN 9 39.463 -32.756 5.593
72 HD22 ASN 9 HD22 ASN 9 38.247 -33.306 4.543
73 H HIS 10 HN HIS 10 40.505 -32.931 1.108
74 HA HIS 10 HA HIS 10 39.514 -30.306 1.292
75 HB2 HIS 10 HB2 HIS 10 41.635 -29.649 0.313
76 HB3 HIS 10 HB1 HIS 10 41.432 -30.827 -0.984
77 HD1 HIS 10 HD1 HIS 10 39.212 -28.066 0.469
78 HD2 HIS 10 HD2 HIS 10 40.503 -29.516 -3.221
79 HE1 HIS 10 HE1 HIS 10 38.113 -26.618 -1.294
80 HE2 HIS 10 HE2 HIS 10 38.890 -27.490 -3.549
81 HN1 NH2 11 HN1 NH2 11 37.593 -31.967 0.599
82 HN2 NH2 11 HN2 NH2 11 37.194 -30.396 0.096
Start of MODEL 13
1 H1 ACE 1 HA2 ACE 1 48.504 -41.995 3.428
2 H2 ACE 1 HA3 ACE 1 46.940 -41.787 2.640
3 H3 ACE 1 HA1 ACE 1 47.549 -43.408 2.978
4 H VAL 2 HN VAL 2 45.456 -41.109 4.010
5 HA VAL 2 HA VAL 2 44.302 -40.589 5.867
6 HB VAL 2 HB VAL 2 43.423 -42.472 7.075
7 HG11 VAL 2 HG11 VAL 2 43.857 -42.938 4.126
8 HG12 VAL 2 HG12 VAL 2 42.502 -42.108 4.891
9 HG13 VAL 2 HG13 VAL 2 42.697 -43.850 5.093
10 HG21 VAL 2 HG21 VAL 2 44.278 -44.682 6.957
11 HG22 VAL 2 HG22 VAL 2 45.701 -43.685 7.217
12 HG23 VAL 2 HG23 VAL 2 45.333 -44.291 5.604
13 H LEU 3 HN LEU 3 47.267 -40.487 6.000
14 HA LEU 3 HA LEU 3 47.521 -40.322 8.953
15 HB2 LEU 3 HB2 LEU 3 49.646 -41.145 6.958
16 HB3 LEU 3 HB1 LEU 3 49.913 -40.905 8.685
17 HG LEU 3 HG LEU 3 47.746 -42.778 7.771
18 HD11 LEU 3 HD11 LEU 3 50.711 -43.387 7.885
19 HD12 LEU 3 HD12 LEU 3 49.628 -43.589 6.508
20 HD13 LEU 3 HD13 LEU 3 49.465 -44.636 7.917
21 HD21 LEU 3 HD21 LEU 3 47.876 -42.278 10.155
22 HD22 LEU 3 HD22 LEU 3 49.596 -42.667 10.177
23 HD23 LEU 3 HD23 LEU 3 48.408 -43.938 9.896
24 H VAL 4 HN VAL 4 47.570 -38.869 5.963
25 HA VAL 4 HA VAL 4 48.606 -36.360 7.063
26 HB VAL 4 HB VAL 4 50.602 -37.130 6.050
27 HG11 VAL 4 HG11 VAL 4 48.839 -38.088 3.778
28 HG12 VAL 4 HG12 VAL 4 49.704 -39.096 4.937
29 HG13 VAL 4 HG13 VAL 4 50.602 -38.138 3.759
30 HG21 VAL 4 HG21 VAL 4 49.731 -34.850 5.242
31 HG22 VAL 4 HG22 VAL 4 49.270 -35.676 3.754
32 HG23 VAL 4 HG23 VAL 4 50.965 -35.614 4.242
33 H ASN 5 HN ASN 5 46.931 -38.148 4.602
34 HA ASN 5 HA ASN 5 45.969 -36.216 2.932
35 HB2 ASN 5 HB2 ASN 5 45.532 -38.698 2.814
36 HB3 ASN 5 HB1 ASN 5 44.262 -38.456 4.011
37 HD21 ASN 5 HD21 ASN 5 44.334 -39.069 0.907
38 HD22 ASN 5 HD22 ASN 5 43.166 -37.997 0.301
39 H GLU 6 HN GLU 6 44.694 -37.141 6.106
40 HA GLU 6 HA GLU 6 42.416 -35.678 6.230
41 HB2 GLU 6 HB2 GLU 6 44.425 -36.303 8.345
42 HB3 GLU 6 HB1 GLU 6 42.900 -35.508 8.717
43 HG2 GLU 6 HG2 GLU 6 43.079 -38.132 7.216
44 HG3 GLU 6 HG1 GLU 6 42.886 -38.037 8.965
45 H ILE 7 HN ILE 7 45.647 -34.544 6.285
46 HA ILE 7 HA ILE 7 45.012 -31.913 7.298
47 HB ILE 7 HB ILE 7 47.510 -32.954 5.986
48 HG12 ILE 7 HG12 ILE 7 47.034 -32.440 8.930
49 HG13 ILE 7 HG11 ILE 7 46.672 -34.003 8.201
50 HG21 ILE 7 HG21 ILE 7 47.488 -30.562 5.834
51 HG22 ILE 7 HG22 ILE 7 48.512 -30.959 7.215
52 HG23 ILE 7 HG23 ILE 7 46.860 -30.402 7.474
53 HD11 ILE 7 HD11 ILE 7 48.924 -34.087 9.106
54 HD12 ILE 7 HD12 ILE 7 49.362 -32.605 8.258
55 HD13 ILE 7 HD13 ILE 7 49.038 -34.079 7.348
56 H LEU 8 HN LEU 8 46.743 -32.805 4.337
57 HA LEU 8 HA LEU 8 46.131 -30.498 2.893
58 HB2 LEU 8 HB2 LEU 8 46.660 -33.298 1.872
59 HB3 LEU 8 HB1 LEU 8 46.693 -31.844 0.874
60 HG LEU 8 HG LEU 8 48.374 -31.961 3.376
61 HD11 LEU 8 HD11 LEU 8 50.233 -32.920 2.093
62 HD12 LEU 8 HD12 LEU 8 49.194 -33.079 0.676
63 HD13 LEU 8 HD13 LEU 8 48.872 -34.042 2.119
64 HD21 LEU 8 HD21 LEU 8 48.653 -30.601 0.672
65 HD22 LEU 8 HD22 LEU 8 49.848 -30.504 1.964
66 HD23 LEU 8 HD23 LEU 8 48.241 -29.824 2.201
67 H ASN 9 HN ASN 9 44.131 -32.939 3.941
68 HA ASN 9 HA ASN 9 42.286 -33.655 2.179
69 HB2 ASN 9 HB2 ASN 9 41.993 -34.083 4.547
70 HB3 ASN 9 HB1 ASN 9 41.678 -32.376 4.847
71 HD21 ASN 9 HD21 ASN 9 40.434 -34.404 2.153
72 HD22 ASN 9 HD22 ASN 9 38.799 -34.202 2.561
73 H HIS 10 HN HIS 10 40.419 -32.831 1.164
74 HA HIS 10 HA HIS 10 39.529 -30.173 1.378
75 HB2 HIS 10 HB2 HIS 10 41.622 -29.586 0.302
76 HB3 HIS 10 HB1 HIS 10 41.333 -30.771 -0.971
77 HD1 HIS 10 HD1 HIS 10 40.611 -29.591 -3.040
78 HD2 HIS 10 HD2 HIS 10 39.009 -27.803 0.367
79 HE1 HIS 10 HE1 HIS 10 39.137 -27.698 -3.851
80 HE2 HIS 10 HE2 HIS 10 38.154 -26.598 -1.785
81 HN1 NH2 11 HN1 NH2 11 37.226 -32.225 -0.148
82 HN2 NH2 11 HN2 NH2 11 36.977 -30.957 0.951
Start of MODEL 14
1 H1 ACE 1 HA2 ACE 1 45.225 -41.379 1.571
2 H2 ACE 1 HA3 ACE 1 46.036 -42.662 2.468
3 H3 ACE 1 HA1 ACE 1 46.713 -41.034 2.450
4 H VAL 2 HN VAL 2 46.400 -41.998 4.889
5 HA VAL 2 HA VAL 2 44.238 -40.435 6.010
6 HB VAL 2 HB VAL 2 43.520 -42.281 7.450
7 HG11 VAL 2 HG11 VAL 2 42.247 -43.460 5.805
8 HG12 VAL 2 HG12 VAL 2 43.484 -43.202 4.576
9 HG13 VAL 2 HG13 VAL 2 42.513 -41.846 5.144
10 HG21 VAL 2 HG21 VAL 2 45.487 -43.620 7.614
11 HG22 VAL 2 HG22 VAL 2 45.606 -43.781 5.863
12 HG23 VAL 2 HG23 VAL 2 44.317 -44.609 6.739
13 H LEU 3 HN LEU 3 47.249 -40.570 5.816
14 HA LEU 3 HA LEU 3 47.873 -40.470 8.717
15 HB2 LEU 3 HB2 LEU 3 49.948 -40.886 6.579
16 HB3 LEU 3 HB1 LEU 3 49.991 -41.353 8.280
17 HG LEU 3 HG LEU 3 47.852 -42.829 7.477
18 HD11 LEU 3 HD11 LEU 3 48.066 -43.664 5.268
19 HD12 LEU 3 HD12 LEU 3 49.666 -42.948 5.064
20 HD13 LEU 3 HD13 LEU 3 48.238 -41.917 5.104
21 HD21 LEU 3 HD21 LEU 3 50.788 -43.546 7.205
22 HD22 LEU 3 HD22 LEU 3 49.483 -44.730 7.136
23 HD23 LEU 3 HD23 LEU 3 49.755 -43.804 8.612
24 H VAL 4 HN VAL 4 47.563 -38.843 5.811
25 HA VAL 4 HA VAL 4 48.633 -36.371 6.942
26 HB VAL 4 HB VAL 4 50.588 -37.030 5.790
27 HG11 VAL 4 HG11 VAL 4 50.463 -37.938 3.439
28 HG12 VAL 4 HG12 VAL 4 48.711 -38.015 3.628
29 HG13 VAL 4 HG13 VAL 4 49.753 -38.991 4.664
30 HG21 VAL 4 HG21 VAL 4 49.088 -35.557 3.614
31 HG22 VAL 4 HG22 VAL 4 50.805 -35.452 4.014
32 HG23 VAL 4 HG23 VAL 4 49.602 -34.760 5.102
33 H ASN 5 HN ASN 5 46.842 -38.111 4.541
34 HA ASN 5 HA ASN 5 45.749 -36.162 2.976
35 HB2 ASN 5 HB2 ASN 5 45.327 -38.648 2.851
36 HB3 ASN 5 HB1 ASN 5 44.131 -38.431 4.126
37 HD21 ASN 5 HD21 ASN 5 44.315 -38.705 0.845
38 HD22 ASN 5 HD22 ASN 5 42.980 -37.757 0.398
39 H GLU 6 HN GLU 6 44.672 -37.172 6.197
40 HA GLU 6 HA GLU 6 42.401 -35.722 6.496
41 HB2 GLU 6 HB2 GLU 6 44.530 -36.408 8.470
42 HB3 GLU 6 HB1 GLU 6 43.031 -35.624 8.954
43 HG2 GLU 6 HG2 GLU 6 41.756 -37.491 7.916
44 HG3 GLU 6 HG1 GLU 6 43.280 -38.287 7.524
45 H ILE 7 HN ILE 7 45.592 -34.547 6.273
46 HA ILE 7 HA ILE 7 45.000 -31.951 7.439
47 HB ILE 7 HB ILE 7 47.450 -32.946 6.007
48 HG12 ILE 7 HG12 ILE 7 47.092 -32.494 8.978
49 HG13 ILE 7 HG11 ILE 7 46.705 -34.045 8.234
50 HG21 ILE 7 HG21 ILE 7 48.484 -30.969 7.248
51 HG22 ILE 7 HG22 ILE 7 46.836 -30.427 7.565
52 HG23 ILE 7 HG23 ILE 7 47.419 -30.557 5.905
53 HD11 ILE 7 HD11 ILE 7 49.391 -32.636 8.212
54 HD12 ILE 7 HD12 ILE 7 49.035 -34.090 7.282
55 HD13 ILE 7 HD13 ILE 7 48.992 -34.140 9.043
56 H LEU 8 HN LEU 8 46.609 -32.771 4.389
57 HA LEU 8 HA LEU 8 45.892 -30.423 3.040
58 HB2 LEU 8 HB2 LEU 8 46.506 -33.164 1.914
59 HB3 LEU 8 HB1 LEU 8 46.467 -31.675 0.972
60 HG LEU 8 HG LEU 8 48.200 -31.829 3.434
61 HD11 LEU 8 HD11 LEU 8 49.012 -32.786 0.672
62 HD12 LEU 8 HD12 LEU 8 48.749 -33.831 2.067
63 HD13 LEU 8 HD13 LEU 8 50.067 -32.660 2.079
64 HD21 LEU 8 HD21 LEU 8 47.973 -29.648 2.375
65 HD22 LEU 8 HD22 LEU 8 48.353 -30.331 0.794
66 HD23 LEU 8 HD23 LEU 8 49.592 -30.261 2.046
67 H ASN 9 HN ASN 9 43.983 -32.897 4.113
68 HA ASN 9 HA ASN 9 42.137 -33.721 2.426
69 HB2 ASN 9 HB2 ASN 9 40.443 -33.555 4.122
70 HB3 ASN 9 HB1 ASN 9 41.981 -33.869 4.920
71 HD21 ASN 9 HD21 ASN 9 39.513 -31.389 4.344
72 HD22 ASN 9 HD22 ASN 9 40.081 -30.310 5.524
73 H HIS 10 HN HIS 10 41.253 -32.832 0.668
74 HA HIS 10 HA HIS 10 41.096 -30.242 -0.100
75 HB2 HIS 10 HB2 HIS 10 39.309 -30.855 -1.602
76 HB3 HIS 10 HB1 HIS 10 40.430 -32.209 -1.480
77 HD1 HIS 10 HD1 HIS 10 39.340 -33.116 1.403
78 HD2 HIS 10 HD2 HIS 10 37.040 -32.519 -2.024
79 HE1 HIS 10 HE1 HIS 10 37.224 -34.474 1.713
80 HE2 HIS 10 HE2 HIS 10 35.812 -34.119 -0.368
81 HN1 NH2 11 HN1 NH2 11 38.482 -30.083 2.436
82 HN2 NH2 11 HN2 NH2 11 38.016 -31.685 2.124
Start of MODEL 15
1 H1 ACE 1 HA2 ACE 1 47.308 -42.914 2.949
2 H2 ACE 1 HA3 ACE 1 48.806 -43.098 3.862
3 H3 ACE 1 HA1 ACE 1 48.241 -41.490 3.410
4 H VAL 2 HN VAL 2 45.809 -41.220 4.152
5 HA VAL 2 HA VAL 2 44.504 -40.622 5.876
6 HB VAL 2 HB VAL 2 43.589 -42.448 7.145
7 HG11 VAL 2 HG11 VAL 2 42.817 -42.258 4.885
8 HG12 VAL 2 HG12 VAL 2 43.052 -43.975 5.209
9 HG13 VAL 2 HG13 VAL 2 44.248 -43.082 4.268
10 HG21 VAL 2 HG21 VAL 2 45.648 -44.299 5.935
11 HG22 VAL 2 HG22 VAL 2 44.507 -44.636 7.233
12 HG23 VAL 2 HG23 VAL 2 45.880 -43.581 7.527
13 H LEU 3 HN LEU 3 47.460 -40.447 6.222
14 HA LEU 3 HA LEU 3 47.485 -40.065 9.163
15 HB2 LEU 3 HB2 LEU 3 49.771 -40.956 7.392
16 HB3 LEU 3 HB1 LEU 3 49.900 -40.598 9.116
17 HG LEU 3 HG LEU 3 47.851 -42.584 8.170
18 HD11 LEU 3 HD11 LEU 3 49.585 -44.385 8.553
19 HD12 LEU 3 HD12 LEU 3 50.809 -43.115 8.552
20 HD13 LEU 3 HD13 LEU 3 49.848 -43.415 7.104
21 HD21 LEU 3 HD21 LEU 3 48.375 -43.586 10.409
22 HD22 LEU 3 HD22 LEU 3 47.790 -41.927 10.519
23 HD23 LEU 3 HD23 LEU 3 49.512 -42.269 10.692
24 H VAL 4 HN VAL 4 47.729 -38.794 6.093
25 HA VAL 4 HA VAL 4 48.602 -36.195 7.119
26 HB VAL 4 HB VAL 4 50.196 -35.887 5.271
27 HG11 VAL 4 HG11 VAL 4 50.826 -38.428 6.793
28 HG12 VAL 4 HG12 VAL 4 50.888 -36.823 7.523
29 HG13 VAL 4 HG13 VAL 4 51.971 -37.230 6.191
30 HG21 VAL 4 HG21 VAL 4 49.505 -38.783 4.699
31 HG22 VAL 4 HG22 VAL 4 50.898 -37.955 4.007
32 HG23 VAL 4 HG23 VAL 4 49.267 -37.403 3.628
33 H ASN 5 HN ASN 5 46.834 -38.159 4.978
34 HA ASN 5 HA ASN 5 46.144 -36.261 3.016
35 HB2 ASN 5 HB2 ASN 5 45.861 -38.761 2.845
36 HB3 ASN 5 HB1 ASN 5 44.472 -38.602 3.916
37 HD21 ASN 5 HD21 ASN 5 44.828 -39.217 0.852
38 HD22 ASN 5 HD22 ASN 5 43.678 -38.195 0.133
39 H GLU 6 HN GLU 6 44.514 -37.370 5.962
40 HA GLU 6 HA GLU 6 42.188 -36.016 5.903
41 HB2 GLU 6 HB2 GLU 6 44.037 -36.627 8.161
42 HB3 GLU 6 HB1 GLU 6 42.501 -35.820 8.456
43 HG2 GLU 6 HG2 GLU 6 42.711 -38.407 6.901
44 HG3 GLU 6 HG1 GLU 6 42.486 -38.371 8.649
45 H ILE 7 HN ILE 7 45.261 -34.651 5.914
46 HA ILE 7 HA ILE 7 44.398 -32.059 6.963
47 HB ILE 7 HB ILE 7 47.076 -33.021 5.992
48 HG12 ILE 7 HG12 ILE 7 46.189 -32.415 8.822
49 HG13 ILE 7 HG11 ILE 7 46.043 -34.026 8.122
50 HG21 ILE 7 HG21 ILE 7 46.139 -30.434 7.250
51 HG22 ILE 7 HG22 ILE 7 47.005 -30.644 5.727
52 HG23 ILE 7 HG23 ILE 7 47.832 -30.929 7.258
53 HD11 ILE 7 HD11 ILE 7 48.145 -33.947 9.307
54 HD12 ILE 7 HD12 ILE 7 48.583 -32.425 8.535
55 HD13 ILE 7 HD13 ILE 7 48.521 -33.908 7.586
56 H LEU 8 HN LEU 8 46.562 -32.824 4.272
57 HA LEU 8 HA LEU 8 45.955 -30.599 2.716
58 HB2 LEU 8 HB2 LEU 8 46.833 -33.353 1.815
59 HB3 LEU 8 HB1 LEU 8 46.895 -31.901 0.818
60 HG LEU 8 HG LEU 8 48.216 -31.885 3.528
61 HD11 LEU 8 HD11 LEU 8 50.342 -32.591 2.334
62 HD12 LEU 8 HD12 LEU 8 49.326 -33.111 0.990
63 HD13 LEU 8 HD13 LEU 8 49.157 -33.876 2.571
64 HD21 LEU 8 HD21 LEU 8 48.087 -29.770 2.313
65 HD22 LEU 8 HD22 LEU 8 48.769 -30.518 0.870
66 HD23 LEU 8 HD23 LEU 8 49.759 -30.324 2.314
67 H ASN 9 HN ASN 9 44.031 -33.207 3.511
68 HA ASN 9 HA ASN 9 42.513 -34.068 1.521
69 HB2 ASN 9 HB2 ASN 9 41.918 -34.522 3.823
70 HB3 ASN 9 HB1 ASN 9 41.441 -32.843 4.066
71 HD21 ASN 9 HD21 ASN 9 40.723 -35.216 1.435
72 HD22 ASN 9 HD22 ASN 9 39.040 -35.021 1.531
73 H HIS 10 HN HIS 10 40.865 -31.412 3.093
74 HA HIS 10 HA HIS 10 39.363 -30.522 1.027
75 HB2 HIS 10 HB2 HIS 10 39.127 -29.623 3.267
76 HB3 HIS 10 HB1 HIS 10 40.693 -28.820 3.143
77 HD1 HIS 10 HD1 HIS 10 39.202 -28.559 -0.084
78 HD2 HIS 10 HD2 HIS 10 38.657 -26.532 3.519
79 HE1 HIS 10 HE1 HIS 10 38.060 -26.371 -0.657
80 HE2 HIS 10 HE2 HIS 10 37.721 -25.124 1.529
81 HN1 NH2 11 HN1 NH2 11 41.487 -28.835 -0.742
82 HN2 NH2 11 HN2 NH2 11 40.587 -29.945 -1.658
Start of MODEL 16
1 H1 ACE 1 HA2 ACE 1 45.453 -42.460 1.968
2 H2 ACE 1 HA3 ACE 1 46.903 -42.204 2.940
3 H3 ACE 1 HA1 ACE 1 46.245 -40.883 1.974
4 H VAL 2 HN VAL 2 46.425 -42.103 5.049
5 HA VAL 2 HA VAL 2 44.253 -40.421 5.979
6 HB VAL 2 HB VAL 2 43.377 -42.157 7.422
7 HG11 VAL 2 HG11 VAL 2 43.668 -43.292 4.635
8 HG12 VAL 2 HG12 VAL 2 42.593 -41.948 5.022
9 HG13 VAL 2 HG13 VAL 2 42.322 -43.532 5.751
10 HG21 VAL 2 HG21 VAL 2 44.248 -44.533 7.019
11 HG22 VAL 2 HG22 VAL 2 45.314 -43.458 7.923
12 HG23 VAL 2 HG23 VAL 2 45.624 -43.777 6.215
13 H LEU 3 HN LEU 3 47.268 -40.598 5.956
14 HA LEU 3 HA LEU 3 47.721 -40.331 8.880
15 HB2 LEU 3 HB2 LEU 3 49.684 -41.199 6.745
16 HB3 LEU 3 HB1 LEU 3 50.040 -41.026 8.462
17 HG LEU 3 HG LEU 3 47.778 -42.809 7.565
18 HD11 LEU 3 HD11 LEU 3 49.716 -43.553 6.264
19 HD12 LEU 3 HD12 LEU 3 49.373 -44.714 7.547
20 HD13 LEU 3 HD13 LEU 3 50.710 -43.575 7.722
21 HD21 LEU 3 HD21 LEU 3 48.465 -44.031 9.656
22 HD22 LEU 3 HD22 LEU 3 47.938 -42.378 9.953
23 HD23 LEU 3 HD23 LEU 3 49.657 -42.767 9.952
24 H VAL 4 HN VAL 4 47.670 -38.883 5.854
25 HA VAL 4 HA VAL 4 48.776 -36.395 6.915
26 HB VAL 4 HB VAL 4 50.221 -36.064 4.956
27 HG11 VAL 4 HG11 VAL 4 50.852 -38.726 6.252
28 HG12 VAL 4 HG12 VAL 4 51.037 -37.184 7.089
29 HG13 VAL 4 HG13 VAL 4 51.995 -37.525 5.647
30 HG21 VAL 4 HG21 VAL 4 50.696 -38.086 3.520
31 HG22 VAL 4 HG22 VAL 4 49.069 -37.431 3.320
32 HG23 VAL 4 HG23 VAL 4 49.323 -38.883 4.290
33 H ASN 5 HN ASN 5 46.706 -38.160 4.884
34 HA ASN 5 HA ASN 5 45.955 -36.154 3.058
35 HB2 ASN 5 HB2 ASN 5 45.502 -38.635 2.858
36 HB3 ASN 5 HB1 ASN 5 44.212 -38.409 4.038
37 HD21 ASN 5 HD21 ASN 5 44.488 -38.812 0.847
38 HD22 ASN 5 HD22 ASN 5 43.282 -37.760 0.280
39 H GLU 6 HN GLU 6 44.529 -37.287 6.098
40 HA GLU 6 HA GLU 6 42.305 -35.789 6.314
41 HB2 GLU 6 HB2 GLU 6 44.311 -36.618 8.359
42 HB3 GLU 6 HB1 GLU 6 42.865 -35.730 8.832
43 HG2 GLU 6 HG2 GLU 6 42.760 -38.252 7.164
44 HG3 GLU 6 HG1 GLU 6 42.697 -38.281 8.925
45 H ILE 7 HN ILE 7 45.454 -34.619 6.101
46 HA ILE 7 HA ILE 7 44.863 -32.035 7.336
47 HB ILE 7 HB ILE 7 47.368 -33.105 6.068
48 HG12 ILE 7 HG12 ILE 7 46.784 -32.596 8.993
49 HG13 ILE 7 HG11 ILE 7 46.479 -34.158 8.236
50 HG21 ILE 7 HG21 ILE 7 47.451 -30.725 5.919
51 HG22 ILE 7 HG22 ILE 7 48.367 -31.132 7.369
52 HG23 ILE 7 HG23 ILE 7 46.716 -30.529 7.510
53 HD11 ILE 7 HD11 ILE 7 48.907 -34.134 7.473
54 HD12 ILE 7 HD12 ILE 7 48.676 -34.274 9.215
55 HD13 ILE 7 HD13 ILE 7 49.136 -32.724 8.507
56 H LEU 8 HN LEU 8 46.716 -32.781 4.416
57 HA LEU 8 HA LEU 8 46.108 -30.447 3.032
58 HB2 LEU 8 HB2 LEU 8 46.724 -33.196 1.925
59 HB3 LEU 8 HB1 LEU 8 46.781 -31.699 0.993
60 HG LEU 8 HG LEU 8 48.348 -31.901 3.561
61 HD11 LEU 8 HD11 LEU 8 49.069 -33.890 2.422
62 HD12 LEU 8 HD12 LEU 8 50.306 -32.666 2.141
63 HD13 LEU 8 HD13 LEU 8 49.141 -33.051 0.873
64 HD21 LEU 8 HD21 LEU 8 48.241 -29.719 2.471
65 HD22 LEU 8 HD22 LEU 8 48.731 -30.427 0.932
66 HD23 LEU 8 HD23 LEU 8 49.867 -30.371 2.278
67 H ASN 9 HN ASN 9 44.102 -32.974 3.885
68 HA ASN 9 HA ASN 9 42.356 -33.624 1.999
69 HB2 ASN 9 HB2 ASN 9 41.950 -34.195 4.314
70 HB3 ASN 9 HB1 ASN 9 41.608 -32.511 4.706
71 HD21 ASN 9 HD21 ASN 9 40.483 -34.804 2.139
72 HD22 ASN 9 HD22 ASN 9 38.837 -34.455 2.360
73 H HIS 10 HN HIS 10 40.459 -32.775 1.009
74 HA HIS 10 HA HIS 10 39.578 -30.121 1.303
75 HB2 HIS 10 HB2 HIS 10 41.683 -29.505 0.270
76 HB3 HIS 10 HB1 HIS 10 41.407 -30.650 -1.041
77 HD1 HIS 10 HD1 HIS 10 39.420 -27.773 0.515
78 HD2 HIS 10 HD2 HIS 10 40.364 -29.344 -3.228
79 HE1 HIS 10 HE1 HIS 10 38.301 -26.275 -1.194
80 HE2 HIS 10 HE2 HIS 10 38.868 -27.220 -3.481
81 HN1 NH2 11 HN1 NH2 11 37.894 -30.993 0.896
82 HN2 NH2 11 HN2 NH2 11 36.888 -30.333 -0.300
Start of MODEL 17
1 H1 ACE 1 HA2 ACE 1 47.428 -40.895 2.648
2 H2 ACE 1 HA3 ACE 1 46.185 -41.686 1.680
3 H3 ACE 1 HA1 ACE 1 47.138 -42.625 2.828
4 H VAL 2 HN VAL 2 46.909 -41.990 5.149
5 HA VAL 2 HA VAL 2 44.465 -40.623 5.875
6 HB VAL 2 HB VAL 2 43.690 -42.513 7.220
7 HG11 VAL 2 HG11 VAL 2 44.221 -43.467 4.404
8 HG12 VAL 2 HG12 VAL 2 43.045 -42.204 4.770
9 HG13 VAL 2 HG13 VAL 2 42.825 -43.829 5.420
10 HG21 VAL 2 HG21 VAL 2 45.717 -43.658 7.745
11 HG22 VAL 2 HG22 VAL 2 46.143 -43.825 6.042
12 HG23 VAL 2 HG23 VAL 2 44.808 -44.763 6.715
13 H LEU 3 HN LEU 3 47.458 -40.460 6.165
14 HA LEU 3 HA LEU 3 47.562 -40.188 9.122
15 HB2 LEU 3 HB2 LEU 3 49.818 -40.927 7.245
16 HB3 LEU 3 HB1 LEU 3 49.958 -40.719 8.990
17 HG LEU 3 HG LEU 3 47.951 -42.666 7.858
18 HD11 LEU 3 HD11 LEU 3 50.890 -43.220 8.370
19 HD12 LEU 3 HD12 LEU 3 50.082 -43.269 6.804
20 HD13 LEU 3 HD13 LEU 3 49.669 -44.451 8.047
21 HD21 LEU 3 HD21 LEU 3 47.800 -42.208 10.243
22 HD22 LEU 3 HD22 LEU 3 49.531 -42.481 10.445
23 HD23 LEU 3 HD23 LEU 3 48.469 -43.824 10.030
24 H VAL 4 HN VAL 4 47.522 -38.728 6.187
25 HA VAL 4 HA VAL 4 48.404 -36.177 7.257
26 HB VAL 4 HB VAL 4 50.529 -36.841 6.454
27 HG11 VAL 4 HG11 VAL 4 49.958 -38.874 5.318
28 HG12 VAL 4 HG12 VAL 4 50.757 -37.843 4.131
29 HG13 VAL 4 HG13 VAL 4 49.001 -38.008 4.117
30 HG21 VAL 4 HG21 VAL 4 49.601 -34.637 5.513
31 HG22 VAL 4 HG22 VAL 4 49.334 -35.520 4.010
32 HG23 VAL 4 HG23 VAL 4 50.968 -35.342 4.649
33 H ASN 5 HN ASN 5 47.085 -38.133 4.713
34 HA ASN 5 HA ASN 5 46.160 -36.313 2.900
35 HB2 ASN 5 HB2 ASN 5 45.903 -38.831 2.843
36 HB3 ASN 5 HB1 ASN 5 44.494 -38.625 3.881
37 HD21 ASN 5 HD21 ASN 5 45.248 -39.053 0.703
38 HD22 ASN 5 HD22 ASN 5 43.969 -38.201 -0.018
39 H GLU 6 HN GLU 6 44.655 -37.258 5.962
40 HA GLU 6 HA GLU 6 42.276 -35.967 5.844
41 HB2 GLU 6 HB2 GLU 6 43.254 -37.409 7.723
42 HB3 GLU 6 HB1 GLU 6 43.953 -35.909 8.332
43 HG2 GLU 6 HG2 GLU 6 41.866 -36.137 9.460
44 HG3 GLU 6 HG1 GLU 6 41.598 -34.922 8.211
45 H ILE 7 HN ILE 7 45.402 -34.589 6.146
46 HA ILE 7 HA ILE 7 44.484 -31.982 6.993
47 HB ILE 7 HB ILE 7 47.169 -32.869 5.969
48 HG12 ILE 7 HG12 ILE 7 46.376 -32.321 8.837
49 HG13 ILE 7 HG11 ILE 7 46.189 -33.923 8.127
50 HG21 ILE 7 HG21 ILE 7 46.197 -30.341 7.318
51 HG22 ILE 7 HG22 ILE 7 46.978 -30.488 5.742
52 HG23 ILE 7 HG23 ILE 7 47.903 -30.778 7.217
53 HD11 ILE 7 HD11 ILE 7 48.624 -33.861 7.502
54 HD12 ILE 7 HD12 ILE 7 48.345 -33.828 9.241
55 HD13 ILE 7 HD13 ILE 7 48.764 -32.343 8.389
56 H LEU 8 HN LEU 8 46.567 -32.825 4.257
57 HA LEU 8 HA LEU 8 45.914 -30.616 2.675
58 HB2 LEU 8 HB2 LEU 8 46.812 -33.378 1.817
59 HB3 LEU 8 HB1 LEU 8 46.827 -31.949 0.785
60 HG LEU 8 HG LEU 8 48.212 -31.856 3.462
61 HD11 LEU 8 HD11 LEU 8 49.438 -32.943 0.907
62 HD12 LEU 8 HD12 LEU 8 49.039 -33.905 2.330
63 HD13 LEU 8 HD13 LEU 8 50.286 -32.661 2.427
64 HD21 LEU 8 HD21 LEU 8 49.702 -30.297 2.176
65 HD22 LEU 8 HD22 LEU 8 48.023 -29.763 2.220
66 HD23 LEU 8 HD23 LEU 8 48.669 -30.526 0.768
67 H ASN 9 HN ASN 9 44.027 -33.178 3.611
68 HA ASN 9 HA ASN 9 42.466 -34.162 1.723
69 HB2 ASN 9 HB2 ASN 9 41.919 -34.431 4.072
70 HB3 ASN 9 HB1 ASN 9 41.429 -32.742 4.180
71 HD21 ASN 9 HD21 ASN 9 40.641 -34.478 1.242
72 HD22 ASN 9 HD22 ASN 9 38.983 -34.651 1.563
73 H HIS 10 HN HIS 10 40.929 -31.337 3.130
74 HA HIS 10 HA HIS 10 40.964 -29.682 0.859
75 HB2 HIS 10 HB2 HIS 10 39.593 -31.383 -0.186
76 HB3 HIS 10 HB1 HIS 10 38.500 -31.400 1.197
77 HD1 HIS 10 HD1 HIS 10 39.889 -28.216 -0.272
78 HD2 HIS 10 HD2 HIS 10 36.288 -30.315 -0.198
79 HE1 HIS 10 HE1 HIS 10 38.140 -26.671 -1.256
80 HE2 HIS 10 HE2 HIS 10 35.938 -27.938 -1.218
81 HN1 NH2 11 HN1 NH2 11 40.321 -27.884 2.608
82 HN2 NH2 11 HN2 NH2 11 38.718 -27.392 2.351
Start of MODEL 18
1 H1 ACE 1 HA2 ACE 1 47.573 -41.475 3.026
2 H2 ACE 1 HA3 ACE 1 46.329 -41.288 1.789
3 H3 ACE 1 HA1 ACE 1 46.568 -42.851 2.570
4 H VAL 2 HN VAL 2 46.798 -42.038 5.231
5 HA VAL 2 HA VAL 2 44.423 -40.518 5.900
6 HB VAL 2 HB VAL 2 43.585 -42.312 7.343
7 HG11 VAL 2 HG11 VAL 2 42.902 -42.074 4.906
8 HG12 VAL 2 HG12 VAL 2 42.655 -43.677 5.600
9 HG13 VAL 2 HG13 VAL 2 44.038 -43.373 4.551
10 HG21 VAL 2 HG21 VAL 2 45.956 -43.782 6.184
11 HG22 VAL 2 HG22 VAL 2 44.593 -44.628 6.917
12 HG23 VAL 2 HG23 VAL 2 45.570 -43.524 7.884
13 H LEU 3 HN LEU 3 47.434 -40.504 6.179
14 HA LEU 3 HA LEU 3 47.570 -40.119 9.122
15 HB2 LEU 3 HB2 LEU 3 49.787 -40.945 7.233
16 HB3 LEU 3 HB1 LEU 3 49.953 -40.694 8.970
17 HG LEU 3 HG LEU 3 47.896 -42.633 7.918
18 HD11 LEU 3 HD11 LEU 3 50.853 -43.161 8.319
19 HD12 LEU 3 HD12 LEU 3 49.922 -43.379 6.837
20 HD13 LEU 3 HD13 LEU 3 49.637 -44.434 8.223
21 HD21 LEU 3 HD21 LEU 3 48.425 -43.744 10.112
22 HD22 LEU 3 HD22 LEU 3 47.789 -42.112 10.292
23 HD23 LEU 3 HD23 LEU 3 49.517 -42.409 10.477
24 H VAL 4 HN VAL 4 47.756 -38.785 6.048
25 HA VAL 4 HA VAL 4 48.621 -36.203 7.112
26 HB VAL 4 HB VAL 4 50.227 -35.856 5.289
27 HG11 VAL 4 HG11 VAL 4 51.995 -37.218 6.179
28 HG12 VAL 4 HG12 VAL 4 50.855 -38.452 6.717
29 HG13 VAL 4 HG13 VAL 4 50.897 -36.879 7.518
30 HG21 VAL 4 HG21 VAL 4 50.928 -37.921 3.986
31 HG22 VAL 4 HG22 VAL 4 49.328 -37.299 3.581
32 HG23 VAL 4 HG23 VAL 4 49.487 -38.717 4.617
33 H ASN 5 HN ASN 5 46.855 -38.148 4.959
34 HA ASN 5 HA ASN 5 46.161 -36.233 3.013
35 HB2 ASN 5 HB2 ASN 5 45.896 -38.755 2.862
36 HB3 ASN 5 HB1 ASN 5 44.459 -38.565 3.864
37 HD21 ASN 5 HD21 ASN 5 45.122 -39.082 0.759
38 HD22 ASN 5 HD22 ASN 5 43.955 -38.109 0.002
39 H GLU 6 HN GLU 6 44.542 -37.385 5.946
40 HA GLU 6 HA GLU 6 42.206 -36.051 5.903
41 HB2 GLU 6 HB2 GLU 6 44.062 -36.654 8.157
42 HB3 GLU 6 HB1 GLU 6 42.508 -35.880 8.453
43 HG2 GLU 6 HG2 GLU 6 42.787 -38.454 6.887
44 HG3 GLU 6 HG1 GLU 6 42.531 -38.426 8.630
45 H ILE 7 HN ILE 7 45.267 -34.663 5.929
46 HA ILE 7 HA ILE 7 44.388 -32.088 7.002
47 HB ILE 7 HB ILE 7 47.070 -33.024 6.015
48 HG12 ILE 7 HG12 ILE 7 46.188 -32.445 8.852
49 HG13 ILE 7 HG11 ILE 7 46.049 -34.053 8.140
50 HG21 ILE 7 HG21 ILE 7 47.809 -30.937 7.311
51 HG22 ILE 7 HG22 ILE 7 46.115 -30.449 7.281
52 HG23 ILE 7 HG23 ILE 7 47.001 -30.651 5.770
53 HD11 ILE 7 HD11 ILE 7 48.520 -33.923 7.599
54 HD12 ILE 7 HD12 ILE 7 48.152 -33.970 9.321
55 HD13 ILE 7 HD13 ILE 7 48.583 -32.442 8.554
56 H LEU 8 HN LEU 8 46.548 -32.817 4.296
57 HA LEU 8 HA LEU 8 45.904 -30.577 2.765
58 HB2 LEU 8 HB2 LEU 8 46.852 -33.299 1.842
59 HB3 LEU 8 HB1 LEU 8 46.880 -31.836 0.859
60 HG LEU 8 HG LEU 8 48.192 -31.817 3.573
61 HD11 LEU 8 HD11 LEU 8 49.469 -32.841 1.018
62 HD12 LEU 8 HD12 LEU 8 49.086 -33.817 2.437
63 HD13 LEU 8 HD13 LEU 8 50.310 -32.552 2.540
64 HD21 LEU 8 HD21 LEU 8 48.712 -30.401 0.935
65 HD22 LEU 8 HD22 LEU 8 49.701 -30.205 2.381
66 HD23 LEU 8 HD23 LEU 8 48.016 -29.689 2.390
67 H ASN 9 HN ASN 9 44.023 -33.205 3.549
68 HA ASN 9 HA ASN 9 42.530 -34.115 1.569
69 HB2 ASN 9 HB2 ASN 9 41.920 -34.519 3.880
70 HB3 ASN 9 HB1 ASN 9 41.413 -32.842 4.071
71 HD21 ASN 9 HD21 ASN 9 40.754 -34.753 1.142
72 HD22 ASN 9 HD22 ASN 9 39.073 -34.811 1.360
73 H HIS 10 HN HIS 10 40.912 -31.388 3.075
74 HA HIS 10 HA HIS 10 40.984 -29.621 0.890
75 HB2 HIS 10 HB2 HIS 10 39.666 -31.286 -0.274
76 HB3 HIS 10 HB1 HIS 10 38.538 -31.386 1.077
77 HD1 HIS 10 HD1 HIS 10 37.436 -28.878 1.689
78 HD2 HIS 10 HD2 HIS 10 38.813 -29.506 -2.196
79 HE1 HIS 10 HE1 HIS 10 36.330 -27.117 0.243
80 HE2 HIS 10 HE2 HIS 10 37.159 -27.486 -2.128
81 HN1 NH2 11 HN1 NH2 11 38.418 -28.931 3.759
82 HN2 NH2 11 HN2 NH2 11 37.854 -30.345 3.009
Start of MODEL 19
1 H1 ACE 1 HA2 ACE 1 48.995 -42.621 3.854
2 H2 ACE 1 HA3 ACE 1 47.802 -41.592 3.063
3 H3 ACE 1 HA1 ACE 1 47.602 -43.343 3.047
4 H VAL 2 HN VAL 2 45.819 -41.242 4.063
5 HA VAL 2 HA VAL 2 44.504 -40.659 5.788
6 HB VAL 2 HB VAL 2 43.575 -42.502 7.024
7 HG11 VAL 2 HG11 VAL 2 44.254 -43.104 4.147
8 HG12 VAL 2 HG12 VAL 2 42.824 -42.272 4.757
9 HG13 VAL 2 HG13 VAL 2 43.040 -43.995 5.064
10 HG21 VAL 2 HG21 VAL 2 45.639 -44.338 5.804
11 HG22 VAL 2 HG22 VAL 2 44.487 -44.693 7.084
12 HG23 VAL 2 HG23 VAL 2 45.858 -43.644 7.407
13 H LEU 3 HN LEU 3 47.451 -40.479 6.157
14 HA LEU 3 HA LEU 3 47.454 -40.142 9.104
15 HB2 LEU 3 HB2 LEU 3 49.754 -41.028 7.346
16 HB3 LEU 3 HB1 LEU 3 49.868 -40.688 9.075
17 HG LEU 3 HG LEU 3 47.820 -42.654 8.088
18 HD11 LEU 3 HD11 LEU 3 50.774 -43.194 8.481
19 HD12 LEU 3 HD12 LEU 3 49.814 -43.493 7.033
20 HD13 LEU 3 HD13 LEU 3 49.550 -44.464 8.481
21 HD21 LEU 3 HD21 LEU 3 48.312 -43.680 10.320
22 HD22 LEU 3 HD22 LEU 3 47.742 -42.018 10.443
23 HD23 LEU 3 HD23 LEU 3 49.458 -42.378 10.630
24 H VAL 4 HN VAL 4 47.669 -38.809 6.077
25 HA VAL 4 HA VAL 4 48.596 -36.244 7.143
26 HB VAL 4 HB VAL 4 50.156 -35.916 5.260
27 HG11 VAL 4 HG11 VAL 4 50.819 -38.461 6.759
28 HG12 VAL 4 HG12 VAL 4 50.871 -36.864 7.505
29 HG13 VAL 4 HG13 VAL 4 51.945 -37.245 6.159
30 HG21 VAL 4 HG21 VAL 4 50.833 -37.948 3.955
31 HG22 VAL 4 HG22 VAL 4 49.169 -37.456 3.648
32 HG23 VAL 4 HG23 VAL 4 49.501 -38.826 4.706
33 H ASN 5 HN ASN 5 46.796 -38.142 4.958
34 HA ASN 5 HA ASN 5 46.102 -36.187 3.060
35 HB2 ASN 5 HB2 ASN 5 45.770 -38.667 2.815
36 HB3 ASN 5 HB1 ASN 5 44.413 -38.530 3.931
37 HD21 ASN 5 HD21 ASN 5 44.600 -39.109 0.877
38 HD22 ASN 5 HD22 ASN 5 43.476 -38.026 0.207
39 H GLU 6 HN GLU 6 44.577 -37.276 6.059
40 HA GLU 6 HA GLU 6 42.239 -35.935 6.070
41 HB2 GLU 6 HB2 GLU 6 43.490 -37.417 7.888
42 HB3 GLU 6 HB1 GLU 6 43.868 -35.844 8.580
43 HG2 GLU 6 HG2 GLU 6 41.062 -36.777 7.891
44 HG3 GLU 6 HG1 GLU 6 41.767 -36.841 9.503
45 H ILE 7 HN ILE 7 45.330 -34.586 6.009
46 HA ILE 7 HA ILE 7 44.500 -31.963 7.002
47 HB ILE 7 HB ILE 7 47.156 -32.962 6.005
48 HG12 ILE 7 HG12 ILE 7 46.358 -32.298 8.848
49 HG13 ILE 7 HG11 ILE 7 46.130 -33.916 8.182
50 HG21 ILE 7 HG21 ILE 7 46.250 -30.347 7.227
51 HG22 ILE 7 HG22 ILE 7 47.109 -30.594 5.706
52 HG23 ILE 7 HG23 ILE 7 47.939 -30.855 7.240
53 HD11 ILE 7 HD11 ILE 7 48.278 -33.845 9.320
54 HD12 ILE 7 HD12 ILE 7 48.750 -32.404 8.421
55 HD13 ILE 7 HD13 ILE 7 48.570 -33.946 7.585
56 H LEU 8 HN LEU 8 46.610 -32.812 4.286
57 HA LEU 8 HA LEU 8 46.000 -30.607 2.699
58 HB2 LEU 8 HB2 LEU 8 46.847 -33.386 1.848
59 HB3 LEU 8 HB1 LEU 8 46.884 -31.966 0.804
60 HG LEU 8 HG LEU 8 48.271 -31.871 3.479
61 HD11 LEU 8 HD11 LEU 8 49.199 -33.883 2.564
62 HD12 LEU 8 HD12 LEU 8 50.369 -32.605 2.240
63 HD13 LEU 8 HD13 LEU 8 49.308 -33.178 0.952
64 HD21 LEU 8 HD21 LEU 8 48.117 -29.788 2.216
65 HD22 LEU 8 HD22 LEU 8 48.751 -30.576 0.772
66 HD23 LEU 8 HD23 LEU 8 49.787 -30.349 2.179
67 H ASN 9 HN ASN 9 44.052 -33.155 3.585
68 HA ASN 9 HA ASN 9 42.485 -34.089 1.690
69 HB2 ASN 9 HB2 ASN 9 41.891 -34.341 4.024
70 HB3 ASN 9 HB1 ASN 9 41.453 -32.639 4.129
71 HD21 ASN 9 HD21 ASN 9 39.264 -33.607 4.809
72 HD22 ASN 9 HD22 ASN 9 38.181 -34.041 3.575
73 H HIS 10 HN HIS 10 40.667 -31.464 2.995
74 HA HIS 10 HA HIS 10 39.376 -30.693 0.733
75 HB2 HIS 10 HB2 HIS 10 38.894 -28.584 1.811
76 HB3 HIS 10 HB1 HIS 10 38.890 -29.859 3.029
77 HD1 HIS 10 HD1 HIS 10 42.311 -29.456 2.276
78 HD2 HIS 10 HD2 HIS 10 39.600 -27.182 4.479
79 HE1 HIS 10 HE1 HIS 10 43.690 -27.982 3.805
80 HE2 HIS 10 HE2 HIS 10 42.051 -26.588 5.155
81 HN1 NH2 11 HN1 NH2 11 40.380 -29.376 -1.244
82 HN2 NH2 11 HN2 NH2 11 40.585 -27.784 -0.691
Start of MODEL 20
1 H1 ACE 1 HA2 ACE 1 46.014 -42.281 2.700
2 H2 ACE 1 HA3 ACE 1 47.000 -43.580 3.371
3 H3 ACE 1 HA1 ACE 1 47.585 -41.918 3.415
4 H VAL 2 HN VAL 2 45.431 -40.532 4.310
5 HA VAL 2 HA VAL 2 44.175 -39.974 6.132
6 HB VAL 2 HB VAL 2 44.403 -42.724 7.224
7 HG11 VAL 2 HG11 VAL 2 41.997 -40.924 7.038
8 HG12 VAL 2 HG12 VAL 2 43.169 -40.789 8.348
9 HG13 VAL 2 HG13 VAL 2 42.254 -42.281 8.133
10 HG21 VAL 2 HG21 VAL 2 42.194 -42.970 5.656
11 HG22 VAL 2 HG22 VAL 2 43.792 -43.499 5.145
12 HG23 VAL 2 HG23 VAL 2 43.183 -41.930 4.629
13 H LEU 3 HN LEU 3 47.162 -40.777 5.949
14 HA LEU 3 HA LEU 3 47.891 -40.473 8.804
15 HB2 LEU 3 HB2 LEU 3 49.630 -41.177 6.426
16 HB3 LEU 3 HB1 LEU 3 50.132 -41.173 8.115
17 HG LEU 3 HG LEU 3 47.770 -42.834 7.247
18 HD11 LEU 3 HD11 LEU 3 49.522 -43.528 5.725
19 HD12 LEU 3 HD12 LEU 3 49.376 -44.753 6.988
20 HD13 LEU 3 HD13 LEU 3 50.699 -43.587 7.037
21 HD21 LEU 3 HD21 LEU 3 48.591 -44.252 9.155
22 HD22 LEU 3 HD22 LEU 3 48.131 -42.624 9.645
23 HD23 LEU 3 HD23 LEU 3 49.835 -43.043 9.465
24 H VAL 4 HN VAL 4 47.731 -38.893 5.802
25 HA VAL 4 HA VAL 4 48.785 -36.424 6.937
26 HB VAL 4 HB VAL 4 50.270 -36.024 5.021
27 HG11 VAL 4 HG11 VAL 4 51.041 -37.206 7.151
28 HG12 VAL 4 HG12 VAL 4 52.053 -37.453 5.727
29 HG13 VAL 4 HG13 VAL 4 50.930 -38.712 6.241
30 HG21 VAL 4 HG21 VAL 4 50.808 -38.009 3.552
31 HG22 VAL 4 HG22 VAL 4 49.185 -37.359 3.322
32 HG23 VAL 4 HG23 VAL 4 49.420 -38.834 4.261
33 H ASN 5 HN ASN 5 46.768 -38.192 4.880
34 HA ASN 5 HA ASN 5 46.017 -36.181 3.048
35 HB2 ASN 5 HB2 ASN 5 45.618 -38.685 2.850
36 HB3 ASN 5 HB1 ASN 5 44.274 -38.456 3.966
37 HD21 ASN 5 HD21 ASN 5 44.759 -38.826 0.770
38 HD22 ASN 5 HD22 ASN 5 43.549 -37.809 0.150
39 H GLU 6 HN GLU 6 44.545 -37.382 6.042
40 HA GLU 6 HA GLU 6 42.299 -35.918 6.233
41 HB2 GLU 6 HB2 GLU 6 44.268 -36.770 8.301
42 HB3 GLU 6 HB1 GLU 6 42.818 -35.888 8.769
43 HG2 GLU 6 HG2 GLU 6 42.719 -38.374 7.051
44 HG3 GLU 6 HG1 GLU 6 42.652 -38.443 8.811
45 H ILE 7 HN ILE 7 45.432 -34.702 6.104
46 HA ILE 7 HA ILE 7 44.787 -32.147 7.369
47 HB ILE 7 HB ILE 7 47.323 -33.170 6.123
48 HG12 ILE 7 HG12 ILE 7 46.681 -32.700 9.043
49 HG13 ILE 7 HG11 ILE 7 46.419 -34.260 8.264
50 HG21 ILE 7 HG21 ILE 7 47.372 -30.786 5.999
51 HG22 ILE 7 HG22 ILE 7 48.284 -31.199 7.452
52 HG23 ILE 7 HG23 ILE 7 46.624 -30.619 7.588
53 HD11 ILE 7 HD11 ILE 7 48.597 -34.352 9.279
54 HD12 ILE 7 HD12 ILE 7 49.041 -32.782 8.612
55 HD13 ILE 7 HD13 ILE 7 48.863 -34.173 7.545
56 H LEU 8 HN LEU 8 46.701 -32.803 4.469
57 HA LEU 8 HA LEU 8 46.078 -30.458 3.119
58 HB2 LEU 8 HB2 LEU 8 46.744 -33.176 1.965
59 HB3 LEU 8 HB1 LEU 8 46.801 -31.659 1.068
60 HG LEU 8 HG LEU 8 48.327 -31.900 3.656
61 HD11 LEU 8 HD11 LEU 8 49.051 -33.869 2.443
62 HD12 LEU 8 HD12 LEU 8 50.312 -32.644 2.301
63 HD13 LEU 8 HD13 LEU 8 49.216 -32.944 0.951
64 HD21 LEU 8 HD21 LEU 8 49.849 -30.327 2.436
65 HD22 LEU 8 HD22 LEU 8 48.212 -29.698 2.607
66 HD23 LEU 8 HD23 LEU 8 48.743 -30.368 1.065
67 H ASN 9 HN ASN 9 44.095 -33.037 3.880
68 HA ASN 9 HA ASN 9 42.390 -33.651 1.940
69 HB2 ASN 9 HB2 ASN 9 41.964 -34.322 4.225
70 HB3 ASN 9 HB1 ASN 9 41.587 -32.661 4.679
71 HD21 ASN 9 HD21 ASN 9 39.356 -32.926 5.189
72 HD22 ASN 9 HD22 ASN 9 38.201 -33.439 4.057
73 H HIS 10 HN HIS 10 40.520 -32.796 0.930
74 HA HIS 10 HA HIS 10 39.560 -30.183 1.324
75 HB2 HIS 10 HB2 HIS 10 41.680 -29.472 0.383
76 HB3 HIS 10 HB1 HIS 10 41.461 -30.548 -0.995
77 HD1 HIS 10 HD1 HIS 10 39.384 -27.797 0.670
78 HD2 HIS 10 HD2 HIS 10 40.428 -29.153 -3.133
79 HE1 HIS 10 HE1 HIS 10 38.266 -26.234 -0.980
80 HE2 HIS 10 HE2 HIS 10 38.893 -27.048 -3.303
81 HN1 NH2 11 HN1 NH2 11 38.091 -31.560 -1.548
82 HN2 NH2 11 HN2 NH2 11 39.334 -30.848 -2.458
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