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 |
|
|
10127 |
1p9f   |
5864 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA ASP 1 HA ASP 1 1.373 0.357 -2.001
2 1HB ASP 1 1HB ASP 1 4.186 0.340 -1.368
3 2HB ASP 1 2HB ASP 1 3.211 1.680 -1.938
4 HD2 ASP 1 HD2 ASP 1 3.651 3.420 0.736
5 H MET 2 H MET 2 2.649 -1.027 -3.554
6 HA MET 2 HA MET 2 2.541 -3.704 -2.855
7 1HB MET 2 1HB MET 2 2.549 -2.436 -5.191
8 2HB MET 2 2HB MET 2 4.292 -2.592 -5.093
9 1HG MET 2 1HG MET 2 4.249 -4.864 -5.483
10 2HG MET 2 2HG MET 2 2.815 -5.111 -4.506
11 1HE MET 2 1HE MET 2 2.237 -6.784 -5.990
12 2HE MET 2 2HE MET 2 1.101 -6.527 -7.337
13 3HE MET 2 3HE MET 2 2.848 -6.649 -7.657
14 H HIS 3 H HIS 3 5.011 -1.280 -2.358
15 HA HIS 3 HA HIS 3 7.192 -3.103 -2.276
16 1HB HIS 3 1HB HIS 3 7.132 -0.524 -2.712
17 2HB HIS 3 2HB HIS 3 7.178 -0.396 -0.965
18 HD1 HIS 3 HD1 HIS 3 9.197 -2.069 -3.764
19 HD2 HIS 3 HD2 HIS 3 9.705 -0.476 0.083
20 HE1 HIS 3 HE1 HIS 3 11.702 -2.138 -3.287
21 H ASP 4 H ASP 4 4.627 -2.115 -0.106
22 HA ASP 4 HA ASP 4 5.931 -2.551 2.297
23 1HB ASP 4 1HB ASP 4 3.369 -1.806 1.452
24 2HB ASP 4 2HB ASP 4 3.079 -3.353 2.223
25 HD2 ASP 4 HD2 ASP 4 5.134 -0.666 2.982
26 H PHE 5 H PHE 5 4.710 -4.679 -0.219
27 HA PHE 5 HA PHE 5 4.027 -6.940 1.187
28 1HB PHE 5 1HB PHE 5 4.206 -7.935 -0.977
29 2HB PHE 5 2HB PHE 5 4.063 -6.238 -1.388
30 HD1 PHE 5 HD1 PHE 5 6.619 -5.078 -1.109
31 HD2 PHE 5 HD2 PHE 5 5.682 -9.023 -2.359
32 HE1 PHE 5 HE1 PHE 5 8.792 -5.198 -2.359
33 HE2 PHE 5 HE2 PHE 5 7.855 -9.143 -3.610
34 HZ PHE 5 HZ PHE 5 9.384 -7.229 -3.595
35 H PHE 6 H PHE 6 7.180 -5.454 0.720
36 HA PHE 6 HA PHE 6 8.675 -7.835 1.156
37 1HB PHE 6 1HB PHE 6 9.042 -5.122 0.349
38 2HB PHE 6 2HB PHE 6 9.903 -5.227 1.872
39 HD1 PHE 6 HD1 PHE 6 10.605 -5.122 -1.349
40 HD2 PHE 6 HD2 PHE 6 11.069 -7.881 1.843
41 HE1 PHE 6 HE1 PHE 6 12.564 -6.158 -2.528
42 HE2 PHE 6 HE2 PHE 6 13.028 -8.916 0.663
43 HZ PHE 6 HZ PHE 6 13.751 -8.043 -1.509
44 H VAL 7 H VAL 7 7.442 -5.130 3.179
45 HA VAL 7 HA VAL 7 8.912 -5.674 5.468
46 HB VAL 7 HB VAL 7 6.184 -4.471 5.002
47 1HG1 VAL 7 1HG1 VAL 7 6.529 -3.496 7.345
48 2HG1 VAL 7 2HG1 VAL 7 6.041 -5.205 7.242
49 3HG1 VAL 7 3HG1 VAL 7 7.737 -4.783 7.579
50 1HG2 VAL 7 1HG2 VAL 7 8.964 -3.353 5.420
51 2HG2 VAL 7 2HG2 VAL 7 7.854 -3.095 4.053
52 3HG2 VAL 7 3HG2 VAL 7 7.498 -2.367 5.638
53 H GLY 8 H GLY 8 6.050 -7.245 4.049
54 1HA GLY 8 1HA GLY 8 5.358 -8.720 6.402
55 2HA GLY 8 2HA GLY 8 4.765 -8.962 4.771
56 H LEU 9 H LEU 9 7.814 -8.998 3.919
57 HA LEU 9 HA LEU 9 8.011 -11.844 4.039
58 1HB LEU 9 1HB LEU 9 8.655 -10.212 2.144
59 2HB LEU 9 2HB LEU 9 10.134 -9.961 3.051
60 HG LEU 9 HG LEU 9 9.333 -12.778 2.447
61 1HD1 LEU 9 1HD1 LEU 9 10.513 -12.606 0.236
62 2HD1 LEU 9 2HD1 LEU 9 8.922 -11.812 0.308
63 3HD1 LEU 9 3HD1 LEU 9 10.408 -10.836 0.390
64 1HD2 LEU 9 1HD2 LEU 9 12.078 -12.132 1.935
65 2HD2 LEU 9 2HD2 LEU 9 11.597 -11.447 3.506
66 3HD2 LEU 9 3HD2 LEU 9 11.381 -13.185 3.189
67 H MET 10 H MET 10 9.105 -9.132 5.961
68 HA MET 10 HA MET 10 11.300 -10.562 7.080
69 1HB MET 10 1HB MET 10 10.264 -7.859 7.033
70 2HB MET 10 2HB MET 10 10.399 -8.328 8.716
71 1HG MET 10 1HG MET 10 12.796 -9.281 7.658
72 2HG MET 10 2HG MET 10 12.542 -7.821 6.723
73 1HE MET 10 1HE MET 10 12.418 -5.651 7.414
74 2HE MET 10 2HE MET 10 13.030 -4.972 8.941
75 3HE MET 10 3HE MET 10 14.144 -5.798 7.826
Start of MODEL 2
1 HA ASP 1 HA ASP 1 3.030 0.463 -1.005
2 1HB ASP 1 1HB ASP 1 1.571 -2.084 -1.261
3 2HB ASP 1 2HB ASP 1 2.029 -1.446 -2.827
4 HD2 ASP 1 HD2 ASP 1 5.409 -1.602 -2.242
5 H MET 2 H MET 2 -0.497 0.084 -1.568
6 HA MET 2 HA MET 2 -0.441 1.173 -4.167
7 1HB MET 2 1HB MET 2 -2.240 -0.300 -2.795
8 2HB MET 2 2HB MET 2 -2.881 1.272 -2.360
9 1HG MET 2 1HG MET 2 -3.970 1.316 -4.353
10 2HG MET 2 2HG MET 2 -2.415 1.442 -5.152
11 1HE MET 2 1HE MET 2 -0.848 -1.024 -5.198
12 2HE MET 2 2HE MET 2 -1.628 -1.969 -6.489
13 3HE MET 2 3HE MET 2 -1.470 -0.203 -6.650
14 H HIS 3 H HIS 3 -0.182 2.530 -0.998
15 HA HIS 3 HA HIS 3 -1.544 4.934 -1.381
16 1HB HIS 3 1HB HIS 3 -0.145 3.685 0.666
17 2HB HIS 3 2HB HIS 3 0.835 5.097 0.322
18 HD1 HIS 3 HD1 HIS 3 -0.146 7.427 0.902
19 HD2 HIS 3 HD2 HIS 3 -2.753 4.236 1.686
20 HE1 HIS 3 HE1 HIS 3 -2.052 8.388 2.301
21 H ASP 4 H ASP 4 1.249 3.660 -2.910
22 HA ASP 4 HA ASP 4 2.835 5.875 -3.167
23 1HB ASP 4 1HB ASP 4 2.376 3.336 -4.649
24 2HB ASP 4 2HB ASP 4 3.062 4.612 -5.634
25 HD2 ASP 4 HD2 ASP 4 5.917 3.231 -4.824
26 H PHE 5 H PHE 5 -0.353 5.188 -4.393
27 HA PHE 5 HA PHE 5 -0.388 6.464 -6.827
28 1HB PHE 5 1HB PHE 5 -2.760 6.374 -6.471
29 2HB PHE 5 2HB PHE 5 -2.173 5.122 -5.395
30 HD1 PHE 5 HD1 PHE 5 -2.882 5.133 -3.195
31 HD2 PHE 5 HD2 PHE 5 -2.959 8.771 -5.377
32 HE1 PHE 5 HE1 PHE 5 -4.007 6.270 -1.260
33 HE2 PHE 5 HE2 PHE 5 -4.084 9.908 -3.443
34 HZ PHE 5 HZ PHE 5 -4.594 8.644 -1.407
35 H PHE 6 H PHE 6 -0.105 7.805 -3.575
36 HA PHE 6 HA PHE 6 -1.026 10.402 -4.281
37 1HB PHE 6 1HB PHE 6 0.252 8.908 -2.002
38 2HB PHE 6 2HB PHE 6 0.607 10.624 -2.025
39 HD1 PHE 6 HD1 PHE 6 -1.975 11.689 -3.068
40 HD2 PHE 6 HD2 PHE 6 -1.184 8.685 -0.177
41 HE1 PHE 6 HE1 PHE 6 -4.184 12.161 -1.972
42 HE2 PHE 6 HE2 PHE 6 -3.392 9.157 0.919
43 HZ PHE 6 HZ PHE 6 -4.866 10.890 0.008
44 H VAL 7 H VAL 7 2.109 8.685 -4.251
45 HA VAL 7 HA VAL 7 3.735 10.962 -4.425
46 HB VAL 7 HB VAL 7 4.100 8.087 -5.275
47 1HG1 VAL 7 1HG1 VAL 7 5.775 8.974 -6.547
48 2HG1 VAL 7 2HG1 VAL 7 5.902 10.447 -5.555
49 3HG1 VAL 7 3HG1 VAL 7 6.630 8.925 -4.987
50 1HG2 VAL 7 1HG2 VAL 7 3.785 8.414 -2.871
51 2HG2 VAL 7 2HG2 VAL 7 5.463 7.937 -3.226
52 3HG2 VAL 7 3HG2 VAL 7 5.081 9.635 -2.852
53 H GLY 8 H GLY 8 1.745 9.191 -6.762
54 1HA GLY 8 1HA GLY 8 3.022 10.249 -9.094
55 2HA GLY 8 2HA GLY 8 1.487 9.409 -8.999
56 H LEU 9 H LEU 9 0.788 11.496 -6.710
57 HA LEU 9 HA LEU 9 -0.479 13.324 -8.535
58 1HB LEU 9 1HB LEU 9 -1.299 12.164 -6.273
59 2HB LEU 9 2HB LEU 9 -0.650 13.638 -5.583
60 HG LEU 9 HG LEU 9 -2.577 13.777 -7.890
61 1HD1 LEU 9 1HD1 LEU 9 -4.471 13.758 -6.437
62 2HD1 LEU 9 2HD1 LEU 9 -3.537 12.275 -6.128
63 3HD1 LEU 9 3HD1 LEU 9 -3.438 13.642 -4.992
64 1HD2 LEU 9 1HD2 LEU 9 -1.867 15.639 -5.610
65 2HD2 LEU 9 2HD2 LEU 9 -1.487 15.840 -7.337
66 3HD2 LEU 9 3HD2 LEU 9 -3.176 15.930 -6.781
67 H MET 10 H MET 10 2.414 13.157 -6.572
68 HA MET 10 HA MET 10 2.670 16.024 -6.538
69 1HB MET 10 1HB MET 10 4.153 13.643 -5.381
70 2HB MET 10 2HB MET 10 5.028 15.155 -5.529
71 1HG MET 10 1HG MET 10 2.945 16.231 -4.334
72 2HG MET 10 2HG MET 10 2.528 14.587 -3.893
73 1HE MET 10 1HE MET 10 2.579 16.296 -1.940
74 2HE MET 10 2HE MET 10 3.289 15.111 -0.817
75 3HE MET 10 3HE MET 10 4.028 16.721 -0.996
Start of MODEL 3
1 HA ASP 1 HA ASP 1 1.804 -0.932 -1.742
2 1HB ASP 1 1HB ASP 1 1.202 1.944 -1.486
3 2HB ASP 1 2HB ASP 1 2.614 1.663 -2.485
4 HD2 ASP 1 HD2 ASP 1 1.391 1.571 -4.952
5 H MET 2 H MET 2 3.214 1.348 0.651
6 HA MET 2 HA MET 2 5.757 1.531 -0.328
7 1HB MET 2 1HB MET 2 6.352 1.960 2.121
8 2HB MET 2 2HB MET 2 4.977 2.890 1.557
9 1HG MET 2 1HG MET 2 3.788 0.517 2.459
10 2HG MET 2 2HG MET 2 5.086 0.761 3.611
11 1HE MET 2 1HE MET 2 1.417 3.087 2.668
12 2HE MET 2 2HE MET 2 1.968 1.453 2.228
13 3HE MET 2 3HE MET 2 1.262 1.751 3.834
14 H HIS 3 H HIS 3 4.114 -1.210 1.115
15 HA HIS 3 HA HIS 3 6.357 -2.551 2.113
16 1HB HIS 3 1HB HIS 3 3.583 -2.948 1.992
17 2HB HIS 3 2HB HIS 3 4.263 -4.314 1.129
18 HD1 HIS 3 HD1 HIS 3 5.396 -2.522 4.340
19 HD2 HIS 3 HD2 HIS 3 4.452 -6.354 2.920
20 HE1 HIS 3 HE1 HIS 3 5.800 -4.124 6.284
21 H ASP 4 H ASP 4 5.475 -1.703 -1.077
22 HA ASP 4 HA ASP 4 6.115 -3.904 -2.534
23 1HB ASP 4 1HB ASP 4 6.504 -0.929 -3.008
24 2HB ASP 4 2HB ASP 4 7.017 -2.084 -4.222
25 HD2 ASP 4 HD2 ASP 4 4.315 -3.726 -3.651
26 H PHE 5 H PHE 5 8.121 -1.836 -0.534
27 HA PHE 5 HA PHE 5 10.569 -1.980 -1.773
28 1HB PHE 5 1HB PHE 5 11.340 -1.292 0.393
29 2HB PHE 5 2HB PHE 5 9.654 -0.815 0.428
30 HD1 PHE 5 HD1 PHE 5 11.821 -3.729 1.294
31 HD2 PHE 5 HD2 PHE 5 8.359 -1.460 2.230
32 HE1 PHE 5 HE1 PHE 5 11.473 -5.112 3.359
33 HE2 PHE 5 HE2 PHE 5 8.011 -2.844 4.295
34 HZ PHE 5 HZ PHE 5 9.572 -4.653 4.835
35 H PHE 6 H PHE 6 8.720 -4.487 -0.097
36 HA PHE 6 HA PHE 6 10.962 -6.172 0.387
37 1HB PHE 6 1HB PHE 6 8.194 -5.949 1.043
38 2HB PHE 6 2HB PHE 6 8.281 -7.414 0.085
39 HD1 PHE 6 HD1 PHE 6 8.583 -6.084 3.318
40 HD2 PHE 6 HD2 PHE 6 10.189 -9.093 0.794
41 HE1 PHE 6 HE1 PHE 6 9.371 -7.355 5.334
42 HE2 PHE 6 HE2 PHE 6 10.977 -10.364 2.810
43 HZ PHE 6 HZ PHE 6 10.558 -9.479 5.056
44 H VAL 7 H VAL 7 8.552 -5.742 -2.230
45 HA VAL 7 HA VAL 7 8.977 -8.144 -3.553
46 HB VAL 7 HB VAL 7 8.228 -5.396 -4.567
47 1HG1 VAL 7 1HG1 VAL 7 8.016 -6.177 -6.659
48 2HG1 VAL 7 2HG1 VAL 7 9.038 -7.535 -6.130
49 3HG1 VAL 7 3HG1 VAL 7 7.266 -7.694 -6.109
50 1HG2 VAL 7 1HG2 VAL 7 6.260 -5.769 -3.590
51 2HG2 VAL 7 2HG2 VAL 7 6.052 -7.229 -4.588
52 3HG2 VAL 7 3HG2 VAL 7 6.832 -7.346 -2.992
53 H GLY 8 H GLY 8 10.894 -5.155 -3.374
54 1HA GLY 8 1HA GLY 8 12.556 -5.759 -5.625
55 2HA GLY 8 2HA GLY 8 12.815 -4.535 -4.398
56 H LEU 9 H LEU 9 12.353 -6.872 -2.310
57 HA LEU 9 HA LEU 9 15.145 -7.446 -2.057
58 1HB LEU 9 1HB LEU 9 13.591 -6.892 -0.180
59 2HB LEU 9 2HB LEU 9 12.813 -8.444 -0.418
60 HG LEU 9 HG LEU 9 15.776 -8.341 0.064
61 1HD1 LEU 9 1HD1 LEU 9 14.112 -8.676 2.476
62 2HD1 LEU 9 2HD1 LEU 9 15.664 -7.835 2.249
63 3HD1 LEU 9 3HD1 LEU 9 14.142 -7.030 1.799
64 1HD2 LEU 9 1HD2 LEU 9 14.053 -10.397 -0.451
65 2HD2 LEU 9 2HD2 LEU 9 15.613 -10.552 0.392
66 3HD2 LEU 9 3HD2 LEU 9 14.106 -10.408 1.328
67 H MET 10 H MET 10 12.347 -8.932 -3.532
68 HA MET 10 HA MET 10 13.417 -11.566 -3.390
69 1HB MET 10 1HB MET 10 10.989 -10.175 -4.438
70 2HB MET 10 2HB MET 10 11.471 -11.557 -5.401
71 1HG MET 10 1HG MET 10 10.178 -12.686 -3.847
72 2HG MET 10 2HG MET 10 11.691 -12.709 -2.963
73 1HE MET 10 1HE MET 10 9.702 -13.353 -1.449
74 2HE MET 10 2HE MET 10 9.247 -12.205 -0.167
75 3HE MET 10 3HE MET 10 8.219 -12.382 -1.609
Start of MODEL 4
1 HA ASP 1 HA ASP 1 2.987 0.553 -1.030
2 1HB ASP 1 1HB ASP 1 1.737 -2.116 -1.166
3 2HB ASP 1 2HB ASP 1 2.169 -1.518 -2.756
4 HD2 ASP 1 HD2 ASP 1 4.316 -3.543 -2.174
5 H MET 2 H MET 2 -0.491 -0.167 -1.579
6 HA MET 2 HA MET 2 -0.662 0.579 -4.218
7 1HB MET 2 1HB MET 2 -3.111 0.998 -3.616
8 2HB MET 2 2HB MET 2 -2.504 -0.549 -3.060
9 1HG MET 2 1HG MET 2 -1.884 1.157 -0.925
10 2HG MET 2 2HG MET 2 -3.423 1.781 -1.483
11 1HE MET 2 1HE MET 2 -5.305 0.506 -2.075
12 2HE MET 2 2HE MET 2 -5.830 -1.045 -1.379
13 3HE MET 2 3HE MET 2 -5.807 0.421 -0.370
14 H HIS 3 H HIS 3 -0.187 2.516 -1.333
15 HA HIS 3 HA HIS 3 -1.307 4.906 -2.276
16 1HB HIS 3 1HB HIS 3 -0.130 3.978 0.074
17 2HB HIS 3 2HB HIS 3 0.968 5.229 -0.472
18 HD1 HIS 3 HD1 HIS 3 -0.089 7.682 -0.799
19 HD2 HIS 3 HD2 HIS 3 -2.520 4.883 1.164
20 HE1 HIS 3 HE1 HIS 3 -1.931 9.020 0.356
21 H ASP 4 H ASP 4 1.361 3.084 -3.367
22 HA ASP 4 HA ASP 4 3.166 5.102 -3.946
23 1HB ASP 4 1HB ASP 4 2.586 2.363 -5.112
24 2HB ASP 4 2HB ASP 4 3.792 3.385 -5.867
25 HD2 ASP 4 HD2 ASP 4 5.172 1.616 -5.240
26 H PHE 5 H PHE 5 0.075 4.165 -5.314
27 HA PHE 5 HA PHE 5 0.346 4.859 -7.959
28 1HB PHE 5 1HB PHE 5 -2.049 4.830 -7.871
29 2HB PHE 5 2HB PHE 5 -1.620 3.874 -6.466
30 HD1 PHE 5 HD1 PHE 5 -1.279 5.334 -4.248
31 HD2 PHE 5 HD2 PHE 5 -3.625 6.486 -7.591
32 HE1 PHE 5 HE1 PHE 5 -2.598 6.891 -2.786
33 HE2 PHE 5 HE2 PHE 5 -4.944 8.043 -6.129
34 HZ PHE 5 HZ PHE 5 -4.415 8.227 -3.744
35 H PHE 6 H PHE 6 0.239 6.902 -5.073
36 HA PHE 6 HA PHE 6 -0.503 9.269 -6.468
37 1HB PHE 6 1HB PHE 6 -0.165 8.298 -3.807
38 2HB PHE 6 2HB PHE 6 1.079 9.522 -3.967
39 HD1 PHE 6 HD1 PHE 6 0.098 11.738 -5.258
40 HD2 PHE 6 HD2 PHE 6 -2.130 9.027 -2.872
41 HE1 PHE 6 HE1 PHE 6 -1.606 13.527 -4.817
42 HE2 PHE 6 HE2 PHE 6 -3.834 10.816 -2.431
43 HZ PHE 6 HZ PHE 6 -3.552 13.044 -3.409
44 H VAL 7 H VAL 7 2.557 7.644 -5.554
45 HA VAL 7 HA VAL 7 4.275 9.784 -5.960
46 HB VAL 7 HB VAL 7 4.701 6.823 -6.406
47 1HG1 VAL 7 1HG1 VAL 7 6.889 7.193 -6.758
48 2HG1 VAL 7 2HG1 VAL 7 6.410 8.869 -7.118
49 3HG1 VAL 7 3HG1 VAL 7 6.977 8.437 -5.487
50 1HG2 VAL 7 1HG2 VAL 7 4.560 6.577 -4.196
51 2HG2 VAL 7 2HG2 VAL 7 5.844 7.789 -3.967
52 3HG2 VAL 7 3HG2 VAL 7 4.140 8.299 -4.029
53 H GLY 8 H GLY 8 2.569 7.640 -8.226
54 1HA GLY 8 1HA GLY 8 4.152 8.336 -10.507
55 2HA GLY 8 2HA GLY 8 2.616 7.493 -10.484
56 H LEU 9 H LEU 9 1.599 9.889 -8.679
57 HA LEU 9 HA LEU 9 0.640 11.403 -10.938
58 1HB LEU 9 1HB LEU 9 -1.032 10.867 -9.431
59 2HB LEU 9 2HB LEU 9 -0.033 11.195 -8.029
60 HG LEU 9 HG LEU 9 -0.846 13.431 -9.876
61 1HD1 LEU 9 1HD1 LEU 9 -2.543 12.039 -7.823
62 2HD1 LEU 9 2HD1 LEU 9 -2.732 13.784 -8.123
63 3HD1 LEU 9 3HD1 LEU 9 -2.972 12.621 -9.450
64 1HD2 LEU 9 1HD2 LEU 9 0.656 13.213 -7.454
65 2HD2 LEU 9 2HD2 LEU 9 0.293 14.659 -8.426
66 3HD2 LEU 9 3HD2 LEU 9 -0.819 14.155 -7.130
67 H MET 10 H MET 10 3.259 11.519 -8.685
68 HA MET 10 HA MET 10 3.446 14.378 -8.770
69 1HB MET 10 1HB MET 10 4.863 12.076 -7.434
70 2HB MET 10 2HB MET 10 5.821 13.521 -7.685
71 1HG MET 10 1HG MET 10 4.413 14.857 -6.312
72 2HG MET 10 2HG MET 10 3.053 13.763 -6.468
73 1HE MET 10 1HE MET 10 6.564 13.495 -3.572
74 2HE MET 10 2HE MET 10 6.876 13.661 -5.316
75 3HE MET 10 3HE MET 10 5.947 14.911 -4.456
Start of MODEL 5
1 1H ASP 1 1H ASP 1 1.884 0.000 0.829
2 HA ASP 1 HA ASP 1 1.327 0.135 -2.028
3 1HB ASP 1 1HB ASP 1 3.246 1.496 -0.254
4 2HB ASP 1 2HB ASP 1 4.053 0.735 -1.611
5 HD2 ASP 1 HD2 ASP 1 3.555 1.851 -3.784
6 H MET 2 H MET 2 3.188 -1.377 0.646
7 HA MET 2 HA MET 2 4.754 -3.000 -1.047
8 1HB MET 2 1HB MET 2 5.011 -2.226 1.511
9 2HB MET 2 2HB MET 2 4.092 -3.680 1.844
10 1HG MET 2 1HG MET 2 6.188 -4.647 1.874
11 2HG MET 2 2HG MET 2 5.926 -4.746 0.144
12 1HE MET 2 1HE MET 2 8.360 -5.017 1.528
13 2HE MET 2 2HE MET 2 9.571 -4.039 0.666
14 3HE MET 2 3HE MET 2 9.078 -3.591 2.316
15 H HIS 3 H HIS 3 1.457 -3.091 -0.059
16 HA HIS 3 HA HIS 3 1.125 -5.871 0.162
17 1HB HIS 3 1HB HIS 3 -0.419 -3.628 0.591
18 2HB HIS 3 2HB HIS 3 -1.178 -4.328 -0.826
19 HD1 HIS 3 HD1 HIS 3 -2.436 -4.244 2.112
20 HD2 HIS 3 HD2 HIS 3 -0.581 -7.543 0.305
21 HE1 HIS 3 HE1 HIS 3 -3.349 -6.313 3.294
22 H ASP 4 H ASP 4 2.003 -3.912 -2.477
23 HA ASP 4 HA ASP 4 0.518 -5.068 -4.509
24 1HB ASP 4 1HB ASP 4 3.057 -3.505 -4.260
25 2HB ASP 4 2HB ASP 4 2.900 -4.438 -5.735
26 HD2 ASP 4 HD2 ASP 4 2.455 -2.984 -7.149
27 H PHE 5 H PHE 5 3.056 -6.273 -2.465
28 HA PHE 5 HA PHE 5 4.499 -7.920 -4.127
29 1HB PHE 5 1HB PHE 5 5.215 -8.826 -2.046
30 2HB PHE 5 2HB PHE 5 4.531 -7.302 -1.516
31 HD1 PHE 5 HD1 PHE 5 3.956 -10.929 -1.715
32 HD2 PHE 5 HD2 PHE 5 2.538 -7.234 -0.186
33 HE1 PHE 5 HE1 PHE 5 2.392 -12.162 -0.186
34 HE2 PHE 5 HE2 PHE 5 0.975 -8.466 1.343
35 HZ PHE 5 HZ PHE 5 0.920 -10.915 1.324
36 H PHE 6 H PHE 6 1.162 -8.192 -3.017
37 HA PHE 6 HA PHE 6 0.969 -10.998 -3.446
38 1HB PHE 6 1HB PHE 6 -0.509 -8.850 -2.304
39 2HB PHE 6 2HB PHE 6 -1.481 -9.326 -3.683
40 HD1 PHE 6 HD1 PHE 6 -3.326 -10.312 -2.617
41 HD2 PHE 6 HD2 PHE 6 0.591 -11.562 -1.568
42 HE1 PHE 6 HE1 PHE 6 -4.288 -12.208 -1.284
43 HE2 PHE 6 HE2 PHE 6 -0.371 -13.458 -0.235
44 HZ PHE 6 HZ PHE 6 -2.799 -13.759 -0.109
45 H VAL 7 H VAL 7 0.344 -8.027 -5.365
46 HA VAL 7 HA VAL 7 -1.098 -9.198 -7.424
47 HB VAL 7 HB VAL 7 0.804 -6.850 -7.374
48 1HG1 VAL 7 1HG1 VAL 7 -1.233 -7.611 -9.494
49 2HG1 VAL 7 2HG1 VAL 7 -0.301 -6.096 -9.440
50 3HG1 VAL 7 3HG1 VAL 7 0.537 -7.649 -9.675
51 1HG2 VAL 7 1HG2 VAL 7 -1.933 -6.100 -7.649
52 2HG2 VAL 7 2HG2 VAL 7 -1.819 -7.262 -6.305
53 3HG2 VAL 7 3HG2 VAL 7 -0.826 -5.784 -6.292
54 H GLY 8 H GLY 8 2.378 -9.198 -6.654
55 1HA GLY 8 1HA GLY 8 3.223 -10.140 -9.222
56 2HA GLY 8 2HA GLY 8 4.159 -10.074 -7.742
57 H LEU 9 H LEU 9 1.720 -11.587 -6.406
58 HA LEU 9 HA LEU 9 2.872 -14.175 -6.791
59 1HB LEU 9 1HB LEU 9 1.486 -12.833 -4.775
60 2HB LEU 9 2HB LEU 9 0.386 -14.094 -5.296
61 HG LEU 9 HG LEU 9 3.257 -14.578 -4.459
62 1HD1 LEU 9 1HD1 LEU 9 2.470 -14.088 -2.407
63 2HD1 LEU 9 2HD1 LEU 9 0.769 -14.305 -2.884
64 3HD1 LEU 9 3HD1 LEU 9 1.775 -15.723 -2.505
65 1HD2 LEU 9 1HD2 LEU 9 0.987 -16.538 -4.893
66 2HD2 LEU 9 2HD2 LEU 9 2.338 -16.253 -6.016
67 3HD2 LEU 9 3HD2 LEU 9 2.652 -16.925 -4.398
68 H MET 10 H MET 10 0.307 -12.298 -8.223
69 HA MET 10 HA MET 10 -1.153 -14.602 -9.071
70 1HB MET 10 1HB MET 10 -1.313 -11.592 -9.475
71 2HB MET 10 2HB MET 10 -2.239 -12.629 -10.541
72 1HG MET 10 1HG MET 10 -3.563 -13.500 -8.759
73 2HG MET 10 2HG MET 10 -2.403 -13.025 -7.535
74 1HE MET 10 1HE MET 10 -5.336 -10.266 -9.758
75 2HE MET 10 2HE MET 10 -4.126 -11.257 -10.607
76 3HE MET 10 3HE MET 10 -5.425 -12.042 -9.677
Start of MODEL 6
1 HA ASP 1 HA ASP 1 1.832 -0.949 -1.725
2 1HB ASP 1 1HB ASP 1 1.134 1.907 -1.523
3 2HB ASP 1 2HB ASP 1 2.565 1.663 -2.505
4 HD2 ASP 1 HD2 ASP 1 -0.709 1.398 -4.317
5 H MET 2 H MET 2 3.172 1.404 0.636
6 HA MET 2 HA MET 2 5.785 1.331 -0.430
7 1HB MET 2 1HB MET 2 4.509 3.059 1.180
8 2HB MET 2 2HB MET 2 5.126 2.030 2.457
9 1HG MET 2 1HG MET 2 7.257 2.825 2.219
10 2HG MET 2 2HG MET 2 7.213 2.668 0.474
11 1HE MET 2 1HE MET 2 7.507 5.899 -0.646
12 2HE MET 2 2HE MET 2 7.375 4.143 -0.902
13 3HE MET 2 3HE MET 2 5.948 5.184 -1.120
14 H HIS 3 H HIS 3 3.920 -0.888 1.413
15 HA HIS 3 HA HIS 3 6.016 -1.911 3.024
16 1HB HIS 3 1HB HIS 3 3.293 -2.120 3.013
17 2HB HIS 3 2HB HIS 3 3.742 -3.676 2.344
18 HD1 HIS 3 HD1 HIS 3 3.972 -1.618 5.493
19 HD2 HIS 3 HD2 HIS 3 5.036 -5.441 4.135
20 HE1 HIS 3 HE1 HIS 3 4.605 -2.963 7.567
21 H ASP 4 H ASP 4 5.305 -2.038 -0.331
22 HA ASP 4 HA ASP 4 6.056 -4.645 -0.894
23 1HB ASP 4 1HB ASP 4 5.676 -2.097 -2.354
24 2HB ASP 4 2HB ASP 4 6.893 -3.121 -3.091
25 HD2 ASP 4 HD2 ASP 4 5.139 -2.987 -4.736
26 H PHE 5 H PHE 5 7.836 -1.630 -0.217
27 HA PHE 5 HA PHE 5 10.325 -2.541 -1.249
28 1HB PHE 5 1HB PHE 5 10.210 -0.193 -1.090
29 2HB PHE 5 2HB PHE 5 9.120 -0.250 0.280
30 HD1 PHE 5 HD1 PHE 5 9.970 0.794 2.138
31 HD2 PHE 5 HD2 PHE 5 12.632 -1.382 -0.350
32 HE1 PHE 5 HE1 PHE 5 11.872 1.363 3.675
33 HE2 PHE 5 HE2 PHE 5 14.533 -0.813 1.187
34 HZ PHE 5 HZ PHE 5 14.130 0.552 3.181
35 H PHE 6 H PHE 6 8.539 -2.940 1.760
36 HA PHE 6 HA PHE 6 10.828 -3.485 3.361
37 1HB PHE 6 1HB PHE 6 7.795 -3.906 3.512
38 2HB PHE 6 2HB PHE 6 8.832 -4.498 4.795
39 HD1 PHE 6 HD1 PHE 6 8.808 -3.155 6.655
40 HD2 PHE 6 HD2 PHE 6 8.599 -1.316 2.836
41 HE1 PHE 6 HE1 PHE 6 8.748 -0.896 7.746
42 HE2 PHE 6 HE2 PHE 6 8.539 0.943 3.928
43 HZ PHE 6 HZ PHE 6 8.614 1.127 6.370
44 H VAL 7 H VAL 7 8.655 -5.350 1.248
45 HA VAL 7 HA VAL 7 9.300 -7.884 2.309
46 HB VAL 7 HB VAL 7 8.224 -6.972 -0.364
47 1HG1 VAL 7 1HG1 VAL 7 8.739 -9.044 -1.075
48 2HG1 VAL 7 2HG1 VAL 7 9.047 -9.639 0.574
49 3HG1 VAL 7 3HG1 VAL 7 7.382 -9.570 -0.050
50 1HG2 VAL 7 1HG2 VAL 7 6.891 -6.538 1.768
51 2HG2 VAL 7 2HG2 VAL 7 6.067 -7.457 0.485
52 3HG2 VAL 7 3HG2 VAL 7 6.728 -8.306 1.904
53 H GLY 8 H GLY 8 10.871 -5.641 0.061
54 1HA GLY 8 1HA GLY 8 12.613 -7.581 -1.120
55 2HA GLY 8 2HA GLY 8 12.728 -5.835 -1.218
56 H LEU 9 H LEU 9 12.475 -5.937 1.957
57 HA LEU 9 HA LEU 9 15.330 -5.962 2.338
58 1HB LEU 9 1HB LEU 9 13.998 -4.159 3.244
59 2HB LEU 9 2HB LEU 9 13.017 -5.287 4.158
60 HG LEU 9 HG LEU 9 15.105 -5.946 5.423
61 1HD1 LEU 9 1HD1 LEU 9 16.622 -4.971 3.590
62 2HD1 LEU 9 2HD1 LEU 9 16.322 -3.398 4.369
63 3HD1 LEU 9 3HD1 LEU 9 17.086 -4.716 5.290
64 1HD2 LEU 9 1HD2 LEU 9 15.099 -3.881 6.831
65 2HD2 LEU 9 2HD2 LEU 9 14.079 -3.103 5.597
66 3HD2 LEU 9 3HD2 LEU 9 13.483 -4.534 6.471
67 H MET 10 H MET 10 12.594 -8.105 2.751
68 HA MET 10 HA MET 10 14.002 -9.693 4.693
69 1HB MET 10 1HB MET 10 11.333 -9.194 4.226
70 2HB MET 10 2HB MET 10 11.508 -10.690 3.331
71 1HG MET 10 1HG MET 10 11.892 -11.958 5.238
72 2HG MET 10 2HG MET 10 12.739 -10.665 6.064
73 1HE MET 10 1HE MET 10 9.037 -12.137 7.395
74 2HE MET 10 2HE MET 10 10.479 -12.838 6.621
75 3HE MET 10 3HE MET 10 10.632 -11.973 8.169
Start of MODEL 7
1 HA ASP 1 HA ASP 1 3.010 -0.509 -1.017
2 1HB ASP 1 1HB ASP 1 0.268 -0.835 -2.044
3 2HB ASP 1 2HB ASP 1 1.326 -0.130 -3.250
4 HD2 ASP 1 HD2 ASP 1 2.687 -2.977 -4.145
5 H MET 2 H MET 2 0.429 1.989 -1.012
6 HA MET 2 HA MET 2 1.745 3.673 -2.858
7 1HB MET 2 1HB MET 2 -0.800 3.509 -2.036
8 2HB MET 2 2HB MET 2 -0.276 4.622 -0.788
9 1HG MET 2 1HG MET 2 -0.780 6.237 -2.341
10 2HG MET 2 2HG MET 2 0.798 5.852 -2.997
11 1HE MET 2 1HE MET 2 0.511 4.498 -6.136
12 2HE MET 2 2HE MET 2 -0.033 6.191 -6.056
13 3HE MET 2 3HE MET 2 1.222 5.605 -4.938
14 H HIS 3 H HIS 3 2.253 2.913 0.462
15 HA HIS 3 HA HIS 3 3.119 5.479 1.303
16 1HB HIS 3 1HB HIS 3 2.383 3.200 2.576
17 2HB HIS 3 2HB HIS 3 4.125 3.050 2.682
18 HD1 HIS 3 HD1 HIS 3 5.034 5.899 3.246
19 HD2 HIS 3 HD2 HIS 3 1.624 4.198 4.999
20 HE1 HIS 3 HE1 HIS 3 4.592 7.223 5.381
21 H ASP 4 H ASP 4 4.456 2.947 -0.664
22 HA ASP 4 HA ASP 4 7.135 3.265 -0.034
23 1HB ASP 4 1HB ASP 4 5.512 2.103 -2.234
24 2HB ASP 4 2HB ASP 4 7.100 2.637 -2.749
25 HD2 ASP 4 HD2 ASP 4 8.852 1.604 -1.838
26 H PHE 5 H PHE 5 4.822 5.068 -2.062
27 HA PHE 5 HA PHE 5 6.796 6.506 -3.520
28 1HB PHE 5 1HB PHE 5 4.706 6.474 -4.607
29 2HB PHE 5 2HB PHE 5 3.822 6.384 -3.096
30 HD1 PHE 5 HD1 PHE 5 2.442 8.168 -2.674
31 HD2 PHE 5 HD2 PHE 5 6.048 8.864 -4.801
32 HE1 PHE 5 HE1 PHE 5 1.856 10.600 -2.872
33 HE2 PHE 5 HE2 PHE 5 5.462 11.296 -4.998
34 HZ PHE 5 HZ PHE 5 3.373 12.136 -4.031
35 H PHE 6 H PHE 6 5.271 6.805 -0.360
36 HA PHE 6 HA PHE 6 5.714 9.605 -0.111
37 1HB PHE 6 1HB PHE 6 5.095 7.230 1.725
38 2HB PHE 6 2HB PHE 6 5.339 8.828 2.402
39 HD1 PHE 6 HD1 PHE 6 3.463 7.507 -0.555
40 HD2 PHE 6 HD2 PHE 6 3.355 9.814 3.005
41 HE1 PHE 6 HE1 PHE 6 1.052 8.057 -0.985
42 HE2 PHE 6 HE2 PHE 6 0.944 10.364 2.576
43 HZ PHE 6 HZ PHE 6 -0.178 9.479 0.586
44 H VAL 7 H VAL 7 7.568 6.634 0.521
45 HA VAL 7 HA VAL 7 9.440 7.810 2.274
46 HB VAL 7 HB VAL 7 9.534 5.370 0.493
47 1HG1 VAL 7 1HG1 VAL 7 11.362 5.882 2.845
48 2HG1 VAL 7 2HG1 VAL 7 11.508 4.661 1.558
49 3HG1 VAL 7 3HG1 VAL 7 11.797 6.379 1.192
50 1HG2 VAL 7 1HG2 VAL 7 7.788 5.338 2.240
51 2HG2 VAL 7 2HG2 VAL 7 9.058 4.127 2.540
52 3HG2 VAL 7 3HG2 VAL 7 9.032 5.640 3.477
53 H GLY 8 H GLY 8 9.002 7.754 -1.239
54 1HA GLY 8 1HA GLY 8 11.688 8.505 -1.883
55 2HA GLY 8 2HA GLY 8 10.287 8.523 -2.936
56 H LEU 9 H LEU 9 8.903 10.165 -0.584
57 HA LEU 9 HA LEU 9 9.657 12.713 -1.714
58 1HB LEU 9 1HB LEU 9 7.300 11.571 -0.797
59 2HB LEU 9 2HB LEU 9 7.708 12.730 0.452
60 HG LEU 9 HG LEU 9 6.189 13.568 -1.370
61 1HD1 LEU 9 1HD1 LEU 9 6.836 15.576 -0.692
62 2HD1 LEU 9 2HD1 LEU 9 8.321 14.848 -0.034
63 3HD1 LEU 9 3HD1 LEU 9 8.304 15.485 -1.695
64 1HD2 LEU 9 1HD2 LEU 9 7.981 12.400 -3.089
65 2HD2 LEU 9 2HD2 LEU 9 6.738 13.592 -3.538
66 3HD2 LEU 9 3HD2 LEU 9 8.405 14.124 -3.212
67 H MET 10 H MET 10 10.357 10.729 1.081
68 HA MET 10 HA MET 10 11.052 12.888 2.767
69 1HB MET 10 1HB MET 10 10.653 10.101 2.995
70 2HB MET 10 2HB MET 10 12.373 10.278 3.281
71 1HG MET 10 1HG MET 10 12.072 11.506 5.242
72 2HG MET 10 2HG MET 10 10.571 12.227 4.694
73 1HE MET 10 1HE MET 10 11.122 7.890 5.216
74 2HE MET 10 2HE MET 10 12.390 9.136 5.314
75 3HE MET 10 3HE MET 10 11.616 8.534 6.800
Start of MODEL 8
1 HA ASP 1 HA ASP 1 1.631 0.795 -1.846
2 1HB ASP 1 1HB ASP 1 3.770 0.108 0.060
3 2HB ASP 1 2HB ASP 1 4.145 -0.455 -1.556
4 HD2 ASP 1 HD2 ASP 1 5.728 2.492 -1.398
5 H MET 2 H MET 2 1.983 -2.312 -0.078
6 HA MET 2 HA MET 2 2.498 -3.828 -2.408
7 1HB MET 2 1HB MET 2 2.993 -4.303 0.159
8 2HB MET 2 2HB MET 2 1.350 -4.910 0.203
9 1HG MET 2 1HG MET 2 1.839 -6.606 -1.478
10 2HG MET 2 2HG MET 2 3.398 -5.891 -1.836
11 1HE MET 2 1HE MET 2 5.697 -6.367 0.039
12 2HE MET 2 2HE MET 2 5.529 -8.133 -0.105
13 3HE MET 2 3HE MET 2 5.083 -7.082 -1.470
14 H HIS 3 H HIS 3 -0.340 -2.439 -0.987
15 HA HIS 3 HA HIS 3 -2.192 -4.419 -1.738
16 1HB HIS 3 1HB HIS 3 -2.225 -2.077 -0.261
17 2HB HIS 3 2HB HIS 3 -3.189 -1.661 -1.664
18 HD1 HIS 3 HD1 HIS 3 -5.607 -2.028 -1.215
19 HD2 HIS 3 HD2 HIS 3 -3.212 -4.904 0.680
20 HE1 HIS 3 HE1 HIS 3 -7.205 -3.592 0.014
21 H ASP 4 H ASP 4 -0.348 -2.051 -3.502
22 HA ASP 4 HA ASP 4 -2.137 -1.552 -5.557
23 1HB ASP 4 1HB ASP 4 0.709 -1.154 -4.980
24 2HB ASP 4 2HB ASP 4 0.479 -1.566 -6.667
25 HD2 ASP 4 HD2 ASP 4 -1.013 1.480 -7.429
26 H PHE 5 H PHE 5 0.083 -4.233 -4.783
27 HA PHE 5 HA PHE 5 0.065 -5.368 -7.392
28 1HB PHE 5 1HB PHE 5 1.909 -6.073 -6.105
29 2HB PHE 5 2HB PHE 5 1.026 -5.929 -4.598
30 HD1 PHE 5 HD1 PHE 5 1.152 -8.071 -7.651
31 HD2 PHE 5 HD2 PHE 5 0.413 -7.858 -3.478
32 HE1 PHE 5 HE1 PHE 5 0.881 -10.565 -7.572
33 HE2 PHE 5 HE2 PHE 5 0.142 -10.352 -3.399
34 HZ PHE 5 HZ PHE 5 0.379 -11.675 -5.447
35 H PHE 6 H PHE 6 -2.062 -5.446 -4.586
36 HA PHE 6 HA PHE 6 -3.265 -7.943 -5.230
37 1HB PHE 6 1HB PHE 6 -3.890 -5.503 -3.484
38 2HB PHE 6 2HB PHE 6 -5.030 -6.830 -3.585
39 HD1 PHE 6 HD1 PHE 6 -1.313 -6.607 -3.212
40 HD2 PHE 6 HD2 PHE 6 -4.968 -8.157 -1.713
41 HE1 PHE 6 HE1 PHE 6 -0.059 -7.822 -1.409
42 HE2 PHE 6 HE2 PHE 6 -3.714 -9.372 0.090
43 HZ PHE 6 HZ PHE 6 -1.274 -9.190 0.220
44 H VAL 7 H VAL 7 -3.829 -4.507 -6.040
45 HA VAL 7 HA VAL 7 -6.449 -4.850 -7.008
46 HB VAL 7 HB VAL 7 -5.317 -2.725 -6.312
47 1HG1 VAL 7 1HG1 VAL 7 -3.521 -3.470 -8.436
48 2HG1 VAL 7 2HG1 VAL 7 -4.261 -1.894 -8.808
49 3HG1 VAL 7 3HG1 VAL 7 -3.394 -2.130 -7.271
50 1HG2 VAL 7 1HG2 VAL 7 -6.537 -1.344 -7.855
51 2HG2 VAL 7 2HG2 VAL 7 -6.513 -2.618 -9.099
52 3HG2 VAL 7 3HG2 VAL 7 -7.463 -2.845 -7.611
53 H GLY 8 H GLY 8 -3.254 -5.613 -8.270
54 1HA GLY 8 1HA GLY 8 -3.999 -5.655 -11.033
55 2HA GLY 8 2HA GLY 8 -2.545 -6.308 -10.304
56 H LEU 9 H LEU 9 -4.512 -7.767 -8.289
57 HA LEU 9 HA LEU 9 -4.684 -10.142 -9.924
58 1HB LEU 9 1HB LEU 9 -4.086 -9.627 -7.278
59 2HB LEU 9 2HB LEU 9 -5.713 -10.271 -7.191
60 HG LEU 9 HG LEU 9 -4.034 -12.018 -6.901
61 1HD1 LEU 9 1HD1 LEU 9 -6.087 -12.792 -7.774
62 2HD1 LEU 9 2HD1 LEU 9 -5.719 -12.179 -9.404
63 3HD1 LEU 9 3HD1 LEU 9 -4.816 -13.567 -8.750
64 1HD2 LEU 9 1HD2 LEU 9 -2.106 -11.748 -7.999
65 2HD2 LEU 9 2HD2 LEU 9 -2.931 -12.549 -9.358
66 3HD2 LEU 9 3HD2 LEU 9 -2.860 -10.772 -9.283
67 H MET 10 H MET 10 -6.711 -7.512 -8.820
68 HA MET 10 HA MET 10 -9.136 -8.922 -8.904
69 1HB MET 10 1HB MET 10 -8.160 -6.212 -8.429
70 2HB MET 10 2HB MET 10 -9.529 -6.129 -9.519
71 1HG MET 10 1HG MET 10 -9.642 -7.791 -6.969
72 2HG MET 10 2HG MET 10 -10.014 -6.079 -6.955
73 1HE MET 10 1HE MET 10 -12.881 -5.397 -8.853
74 2HE MET 10 2HE MET 10 -13.170 -5.818 -7.147
75 3HE MET 10 3HE MET 10 -11.658 -5.006 -7.620
Start of MODEL 9
1 1H ASP 1 1H ASP 1 1.884 0.000 0.829
2 HA ASP 1 HA ASP 1 1.885 0.976 -1.693
3 1HB ASP 1 1HB ASP 1 3.700 -0.592 0.019
4 2HB ASP 1 2HB ASP 1 3.942 -0.958 -1.678
5 HD2 ASP 1 HD2 ASP 1 5.218 2.470 -0.176
6 HA MET 2 HA MET 2 1.470 -3.572 -3.016
7 1HB MET 2 1HB MET 2 1.578 -4.517 -0.502
8 2HB MET 2 2HB MET 2 -0.156 -4.682 -0.697
9 1HG MET 2 1HG MET 2 0.450 -6.749 -1.540
10 2HG MET 2 2HG MET 2 0.600 -5.837 -3.028
11 1HE MET 2 1HE MET 2 2.815 -8.713 -2.110
12 2HE MET 2 2HE MET 2 1.682 -8.072 -3.324
13 3HE MET 2 3HE MET 2 3.435 -8.011 -3.624
14 H HIS 3 H HIS 3 -0.893 -1.575 -1.492
15 HA HIS 3 HA HIS 3 -3.199 -2.782 -2.595
16 1HB HIS 3 1HB HIS 3 -2.573 -0.659 -0.815
17 2HB HIS 3 2HB HIS 3 -3.539 0.033 -2.103
18 HD1 HIS 3 HD1 HIS 3 -3.869 -3.400 -0.416
19 HD2 HIS 3 HD2 HIS 3 -6.063 0.117 -1.062
20 HE1 HIS 3 HE1 HIS 3 -6.198 -3.824 0.537
21 H ASP 4 H ASP 4 -0.642 -0.738 -3.828
22 HA ASP 4 HA ASP 4 -2.070 0.560 -5.815
23 1HB ASP 4 1HB ASP 4 0.757 0.000 -5.142
24 2HB ASP 4 2HB ASP 4 0.493 0.133 -6.869
25 HD2 ASP 4 HD2 ASP 4 0.625 2.508 -4.055
26 H PHE 5 H PHE 5 -0.674 -2.704 -5.479
27 HA PHE 5 HA PHE 5 -0.764 -3.331 -8.252
28 1HB PHE 5 1HB PHE 5 0.726 -4.709 -7.055
29 2HB PHE 5 2HB PHE 5 -0.214 -4.596 -5.580
30 HD1 PHE 5 HD1 PHE 5 -0.348 -6.155 -8.966
31 HD2 PHE 5 HD2 PHE 5 -1.423 -6.439 -4.871
32 HE1 PHE 5 HE1 PHE 5 -1.251 -8.463 -9.363
33 HE2 PHE 5 HE2 PHE 5 -2.326 -8.747 -5.268
34 HZ PHE 5 HZ PHE 5 -2.229 -9.731 -7.510
35 H PHE 6 H PHE 6 -3.068 -3.318 -5.590
36 HA PHE 6 HA PHE 6 -4.808 -5.260 -6.729
37 1HB PHE 6 1HB PHE 6 -4.740 -3.208 -4.498
38 2HB PHE 6 2HB PHE 6 -6.328 -3.760 -4.993
39 HD1 PHE 6 HD1 PHE 6 -7.184 -5.775 -4.174
40 HD2 PHE 6 HD2 PHE 6 -3.026 -5.002 -3.821
41 HE1 PHE 6 HE1 PHE 6 -6.929 -7.809 -2.725
42 HE2 PHE 6 HE2 PHE 6 -2.771 -7.036 -2.373
43 HZ PHE 6 HZ PHE 6 -4.725 -8.415 -1.842
44 H VAL 7 H VAL 7 -4.373 -1.728 -6.957
45 HA VAL 7 HA VAL 7 -6.909 -1.160 -8.028
46 HB VAL 7 HB VAL 7 -4.239 0.245 -8.199
47 1HG1 VAL 7 1HG1 VAL 7 -6.523 1.988 -8.530
48 2HG1 VAL 7 2HG1 VAL 7 -5.102 1.772 -9.580
49 3HG1 VAL 7 3HG1 VAL 7 -6.525 0.722 -9.781
50 1HG2 VAL 7 1HG2 VAL 7 -4.720 0.501 -5.999
51 2HG2 VAL 7 2HG2 VAL 7 -5.797 1.783 -6.602
52 3HG2 VAL 7 3HG2 VAL 7 -6.455 0.172 -6.226
53 H GLY 8 H GLY 8 -3.895 -2.469 -9.364
54 1HA GLY 8 1HA GLY 8 -4.547 -1.955 -12.103
55 2HA GLY 8 2HA GLY 8 -3.285 -2.998 -11.478
56 H LEU 9 H LEU 9 -5.599 -4.265 -9.701
57 HA LEU 9 HA LEU 9 -6.147 -6.345 -11.608
58 1HB LEU 9 1HB LEU 9 -5.471 -6.813 -9.296
59 2HB LEU 9 2HB LEU 9 -6.922 -6.028 -8.705
60 HG LEU 9 HG LEU 9 -8.147 -7.809 -10.222
61 1HD1 LEU 9 1HD1 LEU 9 -6.471 -9.945 -9.680
62 2HD1 LEU 9 2HD1 LEU 9 -6.760 -9.202 -11.272
63 3HD1 LEU 9 3HD1 LEU 9 -5.366 -8.690 -10.291
64 1HD2 LEU 9 1HD2 LEU 9 -7.713 -9.454 -8.129
65 2HD2 LEU 9 2HD2 LEU 9 -7.110 -7.923 -7.449
66 3HD2 LEU 9 3HD2 LEU 9 -8.776 -8.027 -8.066
67 H MET 10 H MET 10 -7.679 -3.444 -10.397
68 HA MET 10 HA MET 10 -10.313 -4.341 -10.995
69 1HB MET 10 1HB MET 10 -9.646 -2.579 -9.243
70 2HB MET 10 2HB MET 10 -9.250 -1.495 -10.562
71 1HG MET 10 1HG MET 10 -11.848 -2.438 -11.185
72 2HG MET 10 2HG MET 10 -11.883 -2.179 -9.452
73 1HE MET 10 1HE MET 10 -13.612 -0.800 -9.821
74 2HE MET 10 2HE MET 10 -13.261 0.909 -9.467
75 3HE MET 10 3HE MET 10 -13.736 0.420 -11.111
Start of MODEL 10
1 HA ASP 1 HA ASP 1 3.082 -0.309 -0.973
2 1HB ASP 1 1HB ASP 1 0.446 -1.210 -1.940
3 2HB ASP 1 2HB ASP 1 1.389 -0.474 -3.221
4 HD2 ASP 1 HD2 ASP 1 1.807 -4.097 -2.706
5 H MET 2 H MET 2 0.098 1.677 -1.220
6 HA MET 2 HA MET 2 0.788 3.291 -3.313
7 1HB MET 2 1HB MET 2 -0.770 4.956 -2.156
8 2HB MET 2 2HB MET 2 -1.442 3.344 -2.296
9 1HG MET 2 1HG MET 2 -0.219 3.067 0.119
10 2HG MET 2 2HG MET 2 -0.487 4.798 0.156
11 1HE MET 2 1HE MET 2 -2.496 5.905 0.682
12 2HE MET 2 2HE MET 2 -3.910 5.080 1.380
13 3HE MET 2 3HE MET 2 -2.303 4.863 2.112
14 H HIS 3 H HIS 3 2.137 3.133 -0.080
15 HA HIS 3 HA HIS 3 3.023 5.759 0.167
16 1HB HIS 3 1HB HIS 3 3.114 3.420 1.665
17 2HB HIS 3 2HB HIS 3 4.802 3.740 1.320
18 HD1 HIS 3 HD1 HIS 3 5.350 6.552 1.740
19 HD2 HIS 3 HD2 HIS 3 2.362 4.638 3.976
20 HE1 HIS 3 HE1 HIS 3 4.992 7.980 3.824
21 H ASP 4 H ASP 4 3.883 3.296 -2.072
22 HA ASP 4 HA ASP 4 6.590 3.816 -2.349
23 1HB ASP 4 1HB ASP 4 4.416 2.568 -3.985
24 2HB ASP 4 2HB ASP 4 5.820 3.100 -4.888
25 HD2 ASP 4 HD2 ASP 4 4.984 0.287 -4.293
26 H PHE 5 H PHE 5 3.616 5.408 -3.507
27 HA PHE 5 HA PHE 5 4.898 6.954 -5.522
28 1HB PHE 5 1HB PHE 5 2.576 6.751 -5.870
29 2HB PHE 5 2HB PHE 5 2.240 6.628 -4.154
30 HD1 PHE 5 HD1 PHE 5 3.298 9.126 -6.712
31 HD2 PHE 5 HD2 PHE 5 1.248 8.417 -3.065
32 HE1 PHE 5 HE1 PHE 5 2.502 11.506 -6.697
33 HE2 PHE 5 HE2 PHE 5 0.451 10.797 -3.050
34 HZ PHE 5 HZ PHE 5 1.088 12.314 -4.866
35 H PHE 6 H PHE 6 4.468 7.205 -2.037
36 HA PHE 6 HA PHE 6 4.756 10.035 -1.932
37 1HB PHE 6 1HB PHE 6 4.991 7.671 0.010
38 2HB PHE 6 2HB PHE 6 5.251 9.314 0.560
39 HD1 PHE 6 HD1 PHE 6 2.718 7.206 -1.179
40 HD2 PHE 6 HD2 PHE 6 3.445 10.575 1.297
41 HE1 PHE 6 HE1 PHE 6 0.248 7.478 -0.825
42 HE2 PHE 6 HE2 PHE 6 0.975 10.847 1.651
43 HZ PHE 6 HZ PHE 6 -0.594 9.296 0.586
44 H VAL 7 H VAL 7 6.934 7.220 -1.959
45 HA VAL 7 HA VAL 7 9.181 8.568 -0.910
46 HB VAL 7 HB VAL 7 8.874 6.100 -2.628
47 1HG1 VAL 7 1HG1 VAL 7 11.286 6.091 -1.073
48 2HG1 VAL 7 2HG1 VAL 7 11.089 5.978 -2.838
49 3HG1 VAL 7 3HG1 VAL 7 11.240 7.572 -2.059
50 1HG2 VAL 7 1HG2 VAL 7 8.536 4.915 -0.740
51 2HG2 VAL 7 2HG2 VAL 7 9.725 5.860 0.188
52 3HG2 VAL 7 3HG2 VAL 7 8.073 6.483 -0.038
53 H GLY 8 H GLY 8 7.624 8.399 -4.086
54 1HA GLY 8 1HA GLY 8 9.887 9.325 -5.573
55 2HA GLY 8 2HA GLY 8 8.221 9.218 -6.108
56 H LEU 9 H LEU 9 7.565 10.811 -3.430
57 HA LEU 9 HA LEU 9 7.703 13.378 -4.741
58 1HB LEU 9 1HB LEU 9 5.620 12.827 -3.798
59 2HB LEU 9 2HB LEU 9 6.336 12.310 -2.285
60 HG LEU 9 HG LEU 9 6.839 15.139 -2.967
61 1HD1 LEU 9 1HD1 LEU 9 4.740 15.978 -2.981
62 2HD1 LEU 9 2HD1 LEU 9 4.356 14.382 -3.668
63 3HD1 LEU 9 3HD1 LEU 9 4.094 14.690 -1.935
64 1HD2 LEU 9 1HD2 LEU 9 7.451 14.889 -0.828
65 2HD2 LEU 9 2HD2 LEU 9 5.713 15.047 -0.474
66 3HD2 LEU 9 3HD2 LEU 9 6.452 13.433 -0.605
67 H MET 10 H MET 10 9.507 11.514 -2.421
68 HA MET 10 HA MET 10 10.570 13.801 -1.095
69 1HB MET 10 1HB MET 10 10.257 11.384 -0.165
70 2HB MET 10 2HB MET 10 11.658 10.938 -1.119
71 1HG MET 10 1HG MET 10 12.547 13.232 0.207
72 2HG MET 10 2HG MET 10 11.518 12.480 1.410
73 1HE MET 10 1HE MET 10 13.622 10.627 3.173
74 2HE MET 10 2HE MET 10 11.946 11.057 2.755
75 3HE MET 10 3HE MET 10 12.572 9.436 2.368
Start of MODEL 11
1 HA ASP 1 HA ASP 1 3.036 0.450 -1.001
2 1HB ASP 1 1HB ASP 1 1.536 -2.075 -1.287
3 2HB ASP 1 2HB ASP 1 2.027 -1.431 -2.841
4 HD2 ASP 1 HD2 ASP 1 4.568 -2.851 -2.995
5 H MET 2 H MET 2 -0.495 0.101 -1.580
6 HA MET 2 HA MET 2 -0.603 0.992 -4.170
7 1HB MET 2 1HB MET 2 -2.985 1.655 -3.518
8 2HB MET 2 2HB MET 2 -2.551 0.027 -3.036
9 1HG MET 2 1HG MET 2 -1.831 2.001 -0.968
10 2HG MET 2 2HG MET 2 -3.540 2.058 -1.351
11 1HE MET 2 1HE MET 2 -3.498 0.366 1.811
12 2HE MET 2 2HE MET 2 -4.085 1.642 0.718
13 3HE MET 2 3HE MET 2 -4.932 0.079 0.797
14 H HIS 3 H HIS 3 0.111 2.736 -1.212
15 HA HIS 3 HA HIS 3 -0.766 5.268 -1.947
16 1HB HIS 3 1HB HIS 3 0.679 4.057 0.179
17 2HB HIS 3 2HB HIS 3 1.647 5.404 -0.384
18 HD1 HIS 3 HD1 HIS 3 -2.156 5.063 0.072
19 HD2 HIS 3 HD2 HIS 3 1.049 7.500 1.248
20 HE1 HIS 3 HE1 HIS 3 -3.164 6.945 1.469
21 H ASP 4 H ASP 4 1.685 3.259 -3.295
22 HA ASP 4 HA ASP 4 3.547 5.184 -4.002
23 1HB ASP 4 1HB ASP 4 2.794 2.426 -4.898
24 2HB ASP 4 2HB ASP 4 3.717 3.368 -6.052
25 HD2 ASP 4 HD2 ASP 4 6.164 1.588 -4.278
26 H PHE 5 H PHE 5 0.401 4.154 -5.330
27 HA PHE 5 HA PHE 5 0.756 5.388 -7.868
28 1HB PHE 5 1HB PHE 5 -0.908 3.719 -7.892
29 2HB PHE 5 2HB PHE 5 -1.330 3.989 -6.213
30 HD1 PHE 5 HD1 PHE 5 -3.435 4.815 -5.802
31 HD2 PHE 5 HD2 PHE 5 -1.546 5.825 -9.465
32 HE1 PHE 5 HE1 PHE 5 -5.493 6.060 -6.519
33 HE2 PHE 5 HE2 PHE 5 -3.604 7.071 -10.182
34 HZ PHE 5 HZ PHE 5 -5.553 7.173 -8.701
35 H PHE 6 H PHE 6 -0.202 6.455 -4.653
36 HA PHE 6 HA PHE 6 -1.686 8.712 -5.548
37 1HB PHE 6 1HB PHE 6 -0.342 7.782 -2.950
38 2HB PHE 6 2HB PHE 6 -1.198 9.310 -3.022
39 HD1 PHE 6 HD1 PHE 6 -1.693 5.675 -3.670
40 HD2 PHE 6 HD2 PHE 6 -3.480 9.368 -2.586
41 HE1 PHE 6 HE1 PHE 6 -3.851 4.489 -3.184
42 HE2 PHE 6 HE2 PHE 6 -5.638 8.182 -2.100
43 HZ PHE 6 HZ PHE 6 -5.798 5.756 -2.405
44 H VAL 7 H VAL 7 1.724 7.986 -4.835
45 HA VAL 7 HA VAL 7 2.547 10.669 -4.537
46 HB VAL 7 HB VAL 7 4.001 8.119 -5.254
47 1HG1 VAL 7 1HG1 VAL 7 4.922 10.842 -5.424
48 2HG1 VAL 7 2HG1 VAL 7 5.788 10.002 -4.116
49 3HG1 VAL 7 3HG1 VAL 7 5.801 9.332 -5.765
50 1HG2 VAL 7 1HG2 VAL 7 4.335 7.773 -3.027
51 2HG2 VAL 7 2HG2 VAL 7 4.375 9.512 -2.647
52 3HG2 VAL 7 3HG2 VAL 7 2.816 8.694 -2.910
53 H GLY 8 H GLY 8 1.848 8.558 -7.293
54 1HA GLY 8 1HA GLY 8 3.275 10.113 -9.225
55 2HA GLY 8 2HA GLY 8 2.099 8.849 -9.523
56 H LEU 9 H LEU 9 0.260 10.477 -7.498
57 HA LEU 9 HA LEU 9 -0.994 11.989 -9.612
58 1HB LEU 9 1HB LEU 9 -2.142 10.432 -7.953
59 2HB LEU 9 2HB LEU 9 -1.905 11.689 -6.756
60 HG LEU 9 HG LEU 9 -3.176 13.258 -8.282
61 1HD1 LEU 9 1HD1 LEU 9 -3.575 12.612 -10.367
62 2HD1 LEU 9 2HD1 LEU 9 -3.057 10.946 -10.014
63 3HD1 LEU 9 3HD1 LEU 9 -4.743 11.435 -9.720
64 1HD2 LEU 9 1HD2 LEU 9 -4.886 10.913 -7.477
65 2HD2 LEU 9 2HD2 LEU 9 -4.075 11.932 -6.263
66 3HD2 LEU 9 3HD2 LEU 9 -5.244 12.654 -7.394
67 H MET 10 H MET 10 1.182 12.496 -6.922
68 HA MET 10 HA MET 10 0.503 15.283 -6.747
69 1HB MET 10 1HB MET 10 1.652 13.342 -5.032
70 2HB MET 10 2HB MET 10 3.004 14.383 -5.432
71 1HG MET 10 1HG MET 10 0.344 15.577 -4.567
72 2HG MET 10 2HG MET 10 1.495 15.011 -3.373
73 1HE MET 10 1HE MET 10 1.553 19.027 -3.826
74 2HE MET 10 2HE MET 10 0.412 18.258 -4.955
75 3HE MET 10 3HE MET 10 0.504 17.702 -3.267
Start of MODEL 12
1 HA ASP 1 HA ASP 1 1.380 0.378 -1.996
2 1HB ASP 1 1HB ASP 1 3.521 1.083 -0.094
3 2HB ASP 1 2HB ASP 1 4.163 0.362 -1.556
4 HD2 ASP 1 HD2 ASP 1 2.574 3.846 -1.083
5 H MET 2 H MET 2 2.879 -1.789 0.448
6 HA MET 2 HA MET 2 4.273 -3.438 -1.250
7 1HB MET 2 1HB MET 2 3.989 -5.119 0.656
8 2HB MET 2 2HB MET 2 4.543 -3.543 1.185
9 1HG MET 2 1HG MET 2 2.775 -3.466 2.609
10 2HG MET 2 2HG MET 2 1.716 -3.346 1.219
11 1HE MET 2 1HE MET 2 -0.208 -6.040 3.172
12 2HE MET 2 2HE MET 2 0.629 -4.622 3.851
13 3HE MET 2 3HE MET 2 -0.256 -4.482 2.312
14 H HIS 3 H HIS 3 0.820 -3.097 -0.740
15 HA HIS 3 HA HIS 3 -0.004 -5.666 -1.397
16 1HB HIS 3 1HB HIS 3 -1.194 -3.264 -0.700
17 2HB HIS 3 2HB HIS 3 -1.753 -3.509 -2.343
18 HD1 HIS 3 HD1 HIS 3 -4.059 -3.700 -0.699
19 HD2 HIS 3 HD2 HIS 3 -1.435 -6.966 -0.900
20 HE1 HIS 3 HE1 HIS 3 -5.387 -5.733 0.084
21 H ASP 4 H ASP 4 1.617 -3.272 -3.276
22 HA ASP 4 HA ASP 4 0.465 -3.752 -5.749
23 1HB ASP 4 1HB ASP 4 3.038 -2.618 -4.711
24 2HB ASP 4 2HB ASP 4 3.060 -3.139 -6.385
25 HD2 ASP 4 HD2 ASP 4 1.801 -1.465 -7.885
26 H PHE 5 H PHE 5 2.914 -5.433 -3.771
27 HA PHE 5 HA PHE 5 3.926 -7.034 -5.893
28 1HB PHE 5 1HB PHE 5 5.421 -6.877 -4.079
29 2HB PHE 5 2HB PHE 5 4.127 -6.694 -2.912
30 HD1 PHE 5 HD1 PHE 5 3.805 -8.410 -1.411
31 HD2 PHE 5 HD2 PHE 5 5.506 -9.317 -5.191
32 HE1 PHE 5 HE1 PHE 5 4.106 -10.799 -0.702
33 HE2 PHE 5 HE2 PHE 5 5.807 -11.706 -4.482
34 HZ PHE 5 HZ PHE 5 5.104 -12.418 -2.246
35 H PHE 6 H PHE 6 1.145 -7.161 -3.737
36 HA PHE 6 HA PHE 6 0.797 -9.980 -3.911
37 1HB PHE 6 1HB PHE 6 -0.862 -7.531 -3.107
38 2HB PHE 6 2HB PHE 6 -1.581 -9.129 -3.088
39 HD1 PHE 6 HD1 PHE 6 -1.613 -10.204 -1.058
40 HD2 PHE 6 HD2 PHE 6 1.548 -7.488 -1.858
41 HE1 PHE 6 HE1 PHE 6 -0.700 -10.588 1.248
42 HE2 PHE 6 HE2 PHE 6 2.461 -7.872 0.448
43 HZ PHE 6 HZ PHE 6 1.326 -9.417 1.974
44 H VAL 7 H VAL 7 -0.283 -7.114 -5.755
45 HA VAL 7 HA VAL 7 -2.346 -8.416 -7.157
46 HB VAL 7 HB VAL 7 -2.317 -6.484 -8.568
47 1HG1 VAL 7 1HG1 VAL 7 -1.540 -5.074 -6.098
48 2HG1 VAL 7 2HG1 VAL 7 -3.087 -5.084 -6.979
49 3HG1 VAL 7 3HG1 VAL 7 -2.695 -6.406 -5.853
50 1HG2 VAL 7 1HG2 VAL 7 -0.473 -5.376 -9.163
51 2HG2 VAL 7 2HG2 VAL 7 -0.068 -5.023 -7.466
52 3HG2 VAL 7 3HG2 VAL 7 0.469 -6.549 -8.210
53 H GLY 8 H GLY 8 1.165 -8.431 -7.397
54 1HA GLY 8 1HA GLY 8 1.298 -9.263 -10.132
55 2HA GLY 8 2HA GLY 8 2.582 -9.286 -8.940
56 H LEU 9 H LEU 9 0.504 -10.817 -7.098
57 HA LEU 9 HA LEU 9 1.380 -13.419 -7.997
58 1HB LEU 9 1HB LEU 9 1.633 -12.779 -5.669
59 2HB LEU 9 2HB LEU 9 -0.090 -12.497 -5.524
60 HG LEU 9 HG LEU 9 -0.066 -15.096 -6.375
61 1HD1 LEU 9 1HD1 LEU 9 2.487 -14.597 -4.857
62 2HD1 LEU 9 2HD1 LEU 9 1.655 -16.169 -4.781
63 3HD1 LEU 9 3HD1 LEU 9 2.221 -15.536 -6.346
64 1HD2 LEU 9 1HD2 LEU 9 -1.467 -14.509 -4.614
65 2HD2 LEU 9 2HD2 LEU 9 -0.296 -15.614 -3.855
66 3HD2 LEU 9 3HD2 LEU 9 -0.133 -13.855 -3.633
67 H MET 10 H MET 10 -1.436 -11.349 -8.166
68 HA MET 10 HA MET 10 -3.256 -13.506 -8.516
69 1HB MET 10 1HB MET 10 -3.423 -10.778 -7.895
70 2HB MET 10 2HB MET 10 -4.004 -10.807 -9.548
71 1HG MET 10 1HG MET 10 -5.710 -12.499 -8.969
72 2HG MET 10 2HG MET 10 -5.077 -12.628 -7.340
73 1HE MET 10 1HE MET 10 -7.755 -12.325 -8.250
74 2HE MET 10 2HE MET 10 -8.440 -11.248 -7.010
75 3HE MET 10 3HE MET 10 -8.385 -10.726 -8.711
Start of MODEL 13
1 HA ASP 1 HA ASP 1 3.037 0.446 -1.000
2 1HB ASP 1 1HB ASP 1 1.538 -2.075 -1.280
3 2HB ASP 1 2HB ASP 1 2.006 -1.430 -2.841
4 HD2 ASP 1 HD2 ASP 1 3.318 -2.778 0.084
5 H MET 2 H MET 2 -0.495 0.127 -1.567
6 HA MET 2 HA MET 2 -0.460 1.186 -4.162
7 1HB MET 2 1HB MET 2 -2.294 -0.179 -2.817
8 2HB MET 2 2HB MET 2 -2.795 1.385 -2.206
9 1HG MET 2 1HG MET 2 -3.742 2.004 -4.204
10 2HG MET 2 2HG MET 2 -2.412 1.362 -5.147
11 1HE MET 2 1HE MET 2 -2.638 -1.438 -6.252
12 2HE MET 2 2HE MET 2 -4.217 -1.060 -6.982
13 3HE MET 2 3HE MET 2 -2.997 0.221 -6.788
14 H HIS 3 H HIS 3 -0.200 2.603 -0.978
15 HA HIS 3 HA HIS 3 -1.335 5.103 -1.566
16 1HB HIS 3 1HB HIS 3 -0.103 5.842 0.463
17 2HB HIS 3 2HB HIS 3 -1.098 4.420 0.706
18 HD1 HIS 3 HD1 HIS 3 2.568 5.351 0.160
19 HD2 HIS 3 HD2 HIS 3 0.237 2.232 1.721
20 HE1 HIS 3 HE1 HIS 3 4.196 3.721 1.257
21 H ASP 4 H ASP 4 1.784 3.583 -2.251
22 HA ASP 4 HA ASP 4 3.251 5.903 -2.619
23 1HB ASP 4 1HB ASP 4 3.487 3.033 -3.217
24 2HB ASP 4 2HB ASP 4 4.209 4.003 -4.486
25 HD2 ASP 4 HD2 ASP 4 6.274 3.376 -1.271
26 H PHE 5 H PHE 5 0.896 4.108 -4.604
27 HA PHE 5 HA PHE 5 1.603 5.349 -7.064
28 1HB PHE 5 1HB PHE 5 0.439 3.323 -7.369
29 2HB PHE 5 2HB PHE 5 -0.456 3.508 -5.874
30 HD1 PHE 5 HD1 PHE 5 -0.438 4.148 -9.452
31 HD2 PHE 5 HD2 PHE 5 -2.531 4.832 -5.824
32 HE1 PHE 5 HE1 PHE 5 -2.471 4.838 -10.754
33 HE2 PHE 5 HE2 PHE 5 -4.563 5.522 -7.126
34 HZ PHE 5 HZ PHE 5 -4.508 5.517 -9.575
35 H PHE 6 H PHE 6 -0.375 6.206 -4.282
36 HA PHE 6 HA PHE 6 -2.065 8.009 -5.692
37 1HB PHE 6 1HB PHE 6 -1.387 7.143 -2.885
38 2HB PHE 6 2HB PHE 6 -2.042 8.764 -3.012
39 HD1 PHE 6 HD1 PHE 6 -3.120 5.947 -1.878
40 HD2 PHE 6 HD2 PHE 6 -3.979 8.379 -5.249
41 HE1 PHE 6 HE1 PHE 6 -5.443 5.001 -1.969
42 HE2 PHE 6 HE2 PHE 6 -6.302 7.432 -5.339
43 HZ PHE 6 HZ PHE 6 -7.006 5.755 -3.699
44 H VAL 7 H VAL 7 1.093 8.181 -4.034
45 HA VAL 7 HA VAL 7 1.175 10.975 -3.777
46 HB VAL 7 HB VAL 7 3.312 8.847 -3.949
47 1HG1 VAL 7 1HG1 VAL 7 4.276 10.988 -4.632
48 2HG1 VAL 7 2HG1 VAL 7 3.607 11.772 -3.181
49 3HG1 VAL 7 3HG1 VAL 7 4.865 10.522 -3.018
50 1HG2 VAL 7 1HG2 VAL 7 3.062 8.552 -1.730
51 2HG2 VAL 7 2HG2 VAL 7 2.852 10.292 -1.421
52 3HG2 VAL 7 3HG2 VAL 7 1.470 9.313 -1.968
53 H GLY 8 H GLY 8 1.739 8.731 -6.468
54 1HA GLY 8 1HA GLY 8 3.159 10.601 -8.105
55 2HA GLY 8 2HA GLY 8 2.461 9.067 -8.586
56 H LEU 9 H LEU 9 -0.184 10.154 -7.191
57 HA LEU 9 HA LEU 9 -1.235 11.220 -9.646
58 1HB LEU 9 1HB LEU 9 -2.470 9.546 -8.427
59 2HB LEU 9 2HB LEU 9 -2.487 10.540 -6.984
60 HG LEU 9 HG LEU 9 -3.653 12.168 -8.930
61 1HD1 LEU 9 1HD1 LEU 9 -5.132 10.978 -10.224
62 2HD1 LEU 9 2HD1 LEU 9 -3.727 9.885 -10.223
63 3HD1 LEU 9 3HD1 LEU 9 -5.109 9.559 -9.150
64 1HD2 LEU 9 1HD2 LEU 9 -4.449 10.741 -6.487
65 2HD2 LEU 9 2HD2 LEU 9 -4.743 12.422 -6.990
66 3HD2 LEU 9 3HD2 LEU 9 -5.794 11.117 -7.589
67 H MET 10 H MET 10 0.099 12.413 -6.649
68 HA MET 10 HA MET 10 -1.305 14.887 -6.768
69 1HB MET 10 1HB MET 10 0.763 13.549 -5.054
70 2HB MET 10 2HB MET 10 0.872 15.298 -5.095
71 1HG MET 10 1HG MET 10 -0.791 15.354 -3.546
72 2HG MET 10 2HG MET 10 -1.890 14.807 -4.796
73 1HE MET 10 1HE MET 10 -1.972 14.472 -1.707
74 2HE MET 10 2HE MET 10 -3.301 13.602 -2.510
75 3HE MET 10 3HE MET 10 -2.287 12.765 -1.310
Start of MODEL 14
1 HA ASP 1 HA ASP 1 1.842 -0.954 -1.719
2 1HB ASP 1 1HB ASP 1 1.119 1.898 -1.534
3 2HB ASP 1 2HB ASP 1 2.547 1.657 -2.520
4 HD2 ASP 1 HD2 ASP 1 2.150 0.849 -4.605
5 H MET 2 H MET 2 3.157 1.434 0.621
6 HA MET 2 HA MET 2 5.764 1.412 -0.439
7 1HB MET 2 1HB MET 2 6.292 2.526 1.800
8 2HB MET 2 2HB MET 2 4.982 3.293 0.925
9 1HG MET 2 1HG MET 2 4.037 1.109 2.682
10 2HG MET 2 2HG MET 2 4.868 2.371 3.570
11 1HE MET 2 1HE MET 2 3.941 5.125 1.557
12 2HE MET 2 2HE MET 2 2.988 5.528 3.004
13 3HE MET 2 3HE MET 2 4.580 4.750 3.175
14 H HIS 3 H HIS 3 3.945 -0.717 1.675
15 HA HIS 3 HA HIS 3 6.109 -1.784 3.105
16 1HB HIS 3 1HB HIS 3 4.531 -3.644 3.590
17 2HB HIS 3 2HB HIS 3 3.893 -2.050 3.942
18 HD1 HIS 3 HD1 HIS 3 1.661 -1.475 2.928
19 HD2 HIS 3 HD2 HIS 3 3.492 -4.736 1.028
20 HE1 HIS 3 HE1 HIS 3 -0.051 -2.391 1.273
21 H ASP 4 H ASP 4 4.838 -2.271 -0.159
22 HA ASP 4 HA ASP 4 5.912 -4.787 -0.597
23 1HB ASP 4 1HB ASP 4 4.764 -2.579 -2.172
24 2HB ASP 4 2HB ASP 4 6.035 -3.402 -3.056
25 HD2 ASP 4 HD2 ASP 4 2.960 -3.644 -3.503
26 H PHE 5 H PHE 5 7.231 -1.473 -0.633
27 HA PHE 5 HA PHE 5 9.598 -2.135 -2.065
28 1HB PHE 5 1HB PHE 5 9.105 0.168 -2.138
29 2HB PHE 5 2HB PHE 5 8.322 0.141 -0.571
30 HD1 PHE 5 HD1 PHE 5 9.370 1.197 1.194
31 HD2 PHE 5 HD2 PHE 5 11.736 -0.172 -2.052
32 HE1 PHE 5 HE1 PHE 5 11.398 2.255 2.226
33 HE2 PHE 5 HE2 PHE 5 13.764 0.887 -1.020
34 HZ PHE 5 HZ PHE 5 13.571 2.088 1.107
35 H PHE 6 H PHE 6 8.517 -2.370 1.278
36 HA PHE 6 HA PHE 6 11.129 -2.334 2.408
37 1HB PHE 6 1HB PHE 6 8.271 -3.035 3.198
38 2HB PHE 6 2HB PHE 6 9.562 -3.535 4.273
39 HD1 PHE 6 HD1 PHE 6 8.910 -0.415 2.314
40 HD2 PHE 6 HD2 PHE 6 9.681 -2.156 6.106
41 HE1 PHE 6 HE1 PHE 6 8.924 1.867 3.359
42 HE2 PHE 6 HE2 PHE 6 9.695 0.127 7.151
43 HZ PHE 6 HZ PHE 6 9.317 2.111 5.765
44 H VAL 7 H VAL 7 8.938 -4.790 1.043
45 HA VAL 7 HA VAL 7 10.206 -7.022 2.199
46 HB VAL 7 HB VAL 7 8.538 -6.687 -0.300
47 1HG1 VAL 7 1HG1 VAL 7 8.449 -9.325 0.911
48 2HG1 VAL 7 2HG1 VAL 7 8.784 -8.857 -0.773
49 3HG1 VAL 7 3HG1 VAL 7 10.105 -8.900 0.418
50 1HG2 VAL 7 1HG2 VAL 7 6.658 -7.078 0.977
51 2HG2 VAL 7 2HG2 VAL 7 7.562 -7.939 2.246
52 3HG2 VAL 7 3HG2 VAL 7 7.657 -6.166 2.133
53 H GLY 8 H GLY 8 10.919 -4.915 -0.560
54 1HA GLY 8 1HA GLY 8 12.728 -6.721 -1.846
55 2HA GLY 8 2HA GLY 8 12.514 -5.011 -2.162
56 H LEU 9 H LEU 9 12.871 -4.692 0.990
57 HA LEU 9 HA LEU 9 15.704 -4.222 0.777
58 1HB LEU 9 1HB LEU 9 13.548 -3.047 2.114
59 2HB LEU 9 2HB LEU 9 14.524 -3.760 3.383
60 HG LEU 9 HG LEU 9 15.134 -1.436 3.005
61 1HD1 LEU 9 1HD1 LEU 9 17.641 -1.966 2.234
62 2HD1 LEU 9 2HD1 LEU 9 17.002 -2.421 3.832
63 3HD1 LEU 9 3HD1 LEU 9 17.084 -3.631 2.529
64 1HD2 LEU 9 1HD2 LEU 9 15.137 -2.274 0.184
65 2HD2 LEU 9 2HD2 LEU 9 14.849 -0.677 0.916
66 3HD2 LEU 9 3HD2 LEU 9 16.514 -1.249 0.654
67 H MET 10 H MET 10 13.526 -6.689 1.966
68 HA MET 10 HA MET 10 15.513 -7.745 3.752
69 1HB MET 10 1HB MET 10 12.663 -7.896 3.437
70 2HB MET 10 2HB MET 10 13.253 -9.525 3.177
71 1HG MET 10 1HG MET 10 14.081 -9.733 5.356
72 2HG MET 10 2HG MET 10 14.392 -8.017 5.522
73 1HE MET 10 1HE MET 10 10.996 -10.219 7.241
74 2HE MET 10 2HE MET 10 11.648 -10.863 5.715
75 3HE MET 10 3HE MET 10 12.739 -10.545 7.085
Start of MODEL 15
1 HA ASP 1 HA ASP 1 2.236 1.051 -1.482
2 1HB ASP 1 1HB ASP 1 3.363 -1.344 -0.186
3 2HB ASP 1 2HB ASP 1 3.533 -1.413 -1.928
4 HD2 ASP 1 HD2 ASP 1 6.489 0.058 -1.323
5 H MET 2 H MET 2 0.552 -2.076 -0.944
6 HA MET 2 HA MET 2 0.380 -2.737 -3.674
7 1HB MET 2 1HB MET 2 -1.338 -4.409 -2.786
8 2HB MET 2 2HB MET 2 0.202 -4.474 -1.953
9 1HG MET 2 1HG MET 2 -0.646 -3.322 -0.032
10 2HG MET 2 2HG MET 2 -2.039 -2.709 -0.901
11 1HE MET 2 1HE MET 2 -1.629 -5.951 1.775
12 2HE MET 2 2HE MET 2 -0.820 -6.718 0.387
13 3HE MET 2 3HE MET 2 -0.295 -5.112 0.947
14 H HIS 3 H HIS 3 -1.405 -0.604 -1.536
15 HA HIS 3 HA HIS 3 -3.869 -0.679 -2.867
16 1HB HIS 3 1HB HIS 3 -4.271 1.477 -1.699
17 2HB HIS 3 2HB HIS 3 -3.745 0.179 -0.646
18 HD1 HIS 3 HD1 HIS 3 -2.054 0.914 1.026
19 HD2 HIS 3 HD2 HIS 3 -1.784 3.108 -2.539
20 HE1 HIS 3 HE1 HIS 3 -0.197 2.627 1.380
21 H ASP 4 H ASP 4 -0.767 0.879 -3.541
22 HA ASP 4 HA ASP 4 -1.717 2.884 -5.199
23 1HB ASP 4 1HB ASP 4 0.807 1.788 -4.385
24 2HB ASP 4 2HB ASP 4 0.828 1.835 -6.136
25 HD2 ASP 4 HD2 ASP 4 2.258 4.829 -5.418
26 H PHE 5 H PHE 5 -1.070 -0.601 -5.620
27 HA PHE 5 HA PHE 5 -1.088 -0.540 -8.463
28 1HB PHE 5 1HB PHE 5 -0.010 -2.449 -7.602
29 2HB PHE 5 2HB PHE 5 -1.006 -2.472 -6.161
30 HD1 PHE 5 HD1 PHE 5 -1.354 -3.048 -9.838
31 HD2 PHE 5 HD2 PHE 5 -2.492 -4.216 -5.920
32 HE1 PHE 5 HE1 PHE 5 -2.690 -4.947 -10.792
33 HE2 PHE 5 HE2 PHE 5 -3.827 -6.115 -6.874
34 HZ PHE 5 HZ PHE 5 -3.910 -6.458 -9.298
35 H PHE 6 H PHE 6 -3.524 -0.622 -5.925
36 HA PHE 6 HA PHE 6 -5.546 -1.826 -7.525
37 1HB PHE 6 1HB PHE 6 -5.203 -0.406 -4.872
38 2HB PHE 6 2HB PHE 6 -6.832 -0.442 -5.516
39 HD1 PHE 6 HD1 PHE 6 -4.218 -2.348 -3.913
40 HD2 PHE 6 HD2 PHE 6 -7.946 -2.641 -5.918
41 HE1 PHE 6 HE1 PHE 6 -4.532 -4.660 -2.990
42 HE2 PHE 6 HE2 PHE 6 -8.261 -4.953 -4.994
43 HZ PHE 6 HZ PHE 6 -6.550 -5.936 -3.541
44 H VAL 7 H VAL 7 -4.374 1.486 -6.897
45 HA VAL 7 HA VAL 7 -6.649 2.820 -7.868
46 HB VAL 7 HB VAL 7 -3.742 3.581 -7.578
47 1HG1 VAL 7 1HG1 VAL 7 -6.096 5.251 -8.493
48 2HG1 VAL 7 2HG1 VAL 7 -4.630 5.964 -7.778
49 3HG1 VAL 7 3HG1 VAL 7 -4.519 5.027 -9.288
50 1HG2 VAL 7 1HG2 VAL 7 -5.053 5.106 -5.798
51 2HG2 VAL 7 2HG2 VAL 7 -6.175 3.725 -5.862
52 3HG2 VAL 7 3HG2 VAL 7 -4.470 3.467 -5.421
53 H GLY 8 H GLY 8 -3.878 1.221 -9.401
54 1HA GLY 8 1HA GLY 8 -4.204 2.469 -11.956
55 2HA GLY 8 2HA GLY 8 -3.234 1.064 -11.565
56 H LEU 9 H LEU 9 -5.888 -0.034 -10.195
57 HA LEU 9 HA LEU 9 -6.719 -1.441 -12.566
58 1HB LEU 9 1HB LEU 9 -6.357 -2.743 -10.627
59 2HB LEU 9 2HB LEU 9 -7.334 -1.684 -9.630
60 HG LEU 9 HG LEU 9 -8.995 -2.662 -11.740
61 1HD1 LEU 9 1HD1 LEU 9 -7.239 -4.746 -10.458
62 2HD1 LEU 9 2HD1 LEU 9 -8.885 -5.129 -11.017
63 3HD1 LEU 9 3HD1 LEU 9 -7.670 -4.532 -12.172
64 1HD2 LEU 9 1HD2 LEU 9 -8.892 -3.036 -8.746
65 2HD2 LEU 9 2HD2 LEU 9 -9.961 -1.984 -9.705
66 3HD2 LEU 9 3HD2 LEU 9 -10.170 -3.750 -9.759
67 H MET 10 H MET 10 -7.681 1.350 -10.706
68 HA MET 10 HA MET 10 -10.394 1.193 -11.634
69 1HB MET 10 1HB MET 10 -9.048 2.385 -9.451
70 2HB MET 10 2HB MET 10 -9.470 3.756 -10.458
71 1HG MET 10 1HG MET 10 -11.396 3.529 -9.121
72 2HG MET 10 2HG MET 10 -11.863 2.658 -10.568
73 1HE MET 10 1HE MET 10 -13.483 0.415 -7.869
74 2HE MET 10 2HE MET 10 -13.457 2.180 -8.095
75 3HE MET 10 3HE MET 10 -13.669 1.106 -9.499
Start of MODEL 16
1 HA ASP 1 HA ASP 1 1.872 -0.970 -1.701
2 1HB ASP 1 1HB ASP 1 1.054 1.857 -1.571
3 2HB ASP 1 2HB ASP 1 2.495 1.651 -2.546
4 HD2 ASP 1 HD2 ASP 1 -0.756 1.826 -3.408
5 H MET 2 H MET 2 3.111 1.494 0.600
6 HA MET 2 HA MET 2 5.634 1.829 -0.390
7 1HB MET 2 1HB MET 2 4.355 2.935 1.631
8 2HB MET 2 2HB MET 2 4.988 1.612 2.590
9 1HG MET 2 1HG MET 2 7.320 2.335 1.498
10 2HG MET 2 2HG MET 2 6.496 3.859 1.233
11 1HE MET 2 1HE MET 2 8.028 5.347 4.103
12 2HE MET 2 2HE MET 2 7.653 5.260 2.365
13 3HE MET 2 3HE MET 2 6.395 5.754 3.523
14 H HIS 3 H HIS 3 4.192 -1.009 1.012
15 HA HIS 3 HA HIS 3 6.612 -2.124 2.007
16 1HB HIS 3 1HB HIS 3 3.895 -2.633 2.288
17 2HB HIS 3 2HB HIS 3 4.465 -4.007 1.362
18 HD1 HIS 3 HD1 HIS 3 6.567 -5.362 2.481
19 HD2 HIS 3 HD2 HIS 3 4.436 -2.757 4.986
20 HE1 HIS 3 HE1 HIS 3 7.151 -6.033 4.873
21 H ASP 4 H ASP 4 5.622 -1.376 -1.087
22 HA ASP 4 HA ASP 4 6.138 -3.716 -2.470
23 1HB ASP 4 1HB ASP 4 5.997 -0.792 -3.080
24 2HB ASP 4 2HB ASP 4 6.907 -1.746 -4.234
25 HD2 ASP 4 HD2 ASP 4 5.330 -3.970 -4.596
26 H PHE 5 H PHE 5 8.189 -1.168 -1.057
27 HA PHE 5 HA PHE 5 10.530 -1.857 -2.523
28 1HB PHE 5 1HB PHE 5 10.511 -0.527 0.209
29 2HB PHE 5 2HB PHE 5 11.454 -0.088 -1.201
30 HD1 PHE 5 HD1 PHE 5 8.975 -0.117 -3.104
31 HD2 PHE 5 HD2 PHE 5 9.762 1.714 0.643
32 HE1 PHE 5 HE1 PHE 5 7.325 1.696 -3.643
33 HE2 PHE 5 HE2 PHE 5 8.112 3.527 0.103
34 HZ PHE 5 HZ PHE 5 6.913 3.496 -2.033
35 H PHE 6 H PHE 6 8.912 -3.036 0.379
36 HA PHE 6 HA PHE 6 11.245 -4.178 1.540
37 1HB PHE 6 1HB PHE 6 8.204 -4.475 1.819
38 2HB PHE 6 2HB PHE 6 9.291 -5.441 2.798
39 HD1 PHE 6 HD1 PHE 6 8.596 -1.884 1.919
40 HD2 PHE 6 HD2 PHE 6 9.996 -4.618 4.847
41 HE1 PHE 6 HE1 PHE 6 8.749 -0.017 3.590
42 HE2 PHE 6 HE2 PHE 6 10.148 -2.752 6.518
43 HZ PHE 6 HZ PHE 6 9.523 -0.473 5.869
44 H VAL 7 H VAL 7 8.727 -5.221 -0.770
45 HA VAL 7 HA VAL 7 9.271 -7.976 -0.586
46 HB VAL 7 HB VAL 7 7.221 -6.855 -1.498
47 1HG1 VAL 7 1HG1 VAL 7 9.149 -5.726 -3.312
48 2HG1 VAL 7 2HG1 VAL 7 7.950 -6.667 -4.232
49 3HG1 VAL 7 3HG1 VAL 7 7.414 -5.364 -3.144
50 1HG2 VAL 7 1HG2 VAL 7 7.080 -9.074 -1.965
51 2HG2 VAL 7 2HG2 VAL 7 7.279 -8.498 -3.637
52 3HG2 VAL 7 3HG2 VAL 7 8.681 -9.128 -2.741
53 H GLY 8 H GLY 8 10.894 -5.256 -2.117
54 1HA GLY 8 1HA GLY 8 12.318 -6.787 -4.071
55 2HA GLY 8 2HA GLY 8 12.624 -5.136 -3.569
56 H LEU 9 H LEU 9 12.596 -6.290 -0.617
57 HA LEU 9 HA LEU 9 15.446 -6.759 -0.599
58 1HB LEU 9 1HB LEU 9 13.603 -5.501 1.083
59 2HB LEU 9 2HB LEU 9 14.099 -6.934 1.961
60 HG LEU 9 HG LEU 9 15.464 -5.008 2.560
61 1HD1 LEU 9 1HD1 LEU 9 16.953 -7.150 1.020
62 2HD1 LEU 9 2HD1 LEU 9 17.715 -5.987 2.132
63 3HD1 LEU 9 3HD1 LEU 9 16.521 -7.155 2.747
64 1HD2 LEU 9 1HD2 LEU 9 15.617 -3.513 0.854
65 2HD2 LEU 9 2HD2 LEU 9 17.175 -4.343 0.628
66 3HD2 LEU 9 3HD2 LEU 9 15.782 -4.773 -0.393
67 H MET 10 H MET 10 12.448 -8.562 -0.533
68 HA MET 10 HA MET 10 13.640 -10.822 0.745
69 1HB MET 10 1HB MET 10 11.094 -9.956 0.616
70 2HB MET 10 2HB MET 10 11.059 -10.902 -0.859
71 1HG MET 10 1HG MET 10 11.830 -12.919 0.422
72 2HG MET 10 2HG MET 10 11.848 -11.971 1.896
73 1HE MET 10 1HE MET 10 10.198 -14.653 1.618
74 2HE MET 10 2HE MET 10 10.259 -13.637 3.078
75 3HE MET 10 3HE MET 10 8.689 -14.172 2.431
Start of MODEL 17
1 HA ASP 1 HA ASP 1 1.339 0.216 -2.021
2 1HB ASP 1 1HB ASP 1 3.353 1.362 -0.195
3 2HB ASP 1 2HB ASP 1 4.095 0.619 -1.598
4 HD2 ASP 1 HD2 ASP 1 2.841 3.620 -0.691
5 H MET 2 H MET 2 3.108 -1.515 0.585
6 HA MET 2 HA MET 2 4.754 -3.078 -0.932
7 1HB MET 2 1HB MET 2 4.632 -4.651 1.061
8 2HB MET 2 2HB MET 2 4.871 -2.979 1.529
9 1HG MET 2 1HG MET 2 2.303 -2.816 1.784
10 2HG MET 2 2HG MET 2 2.262 -4.559 1.607
11 1HE MET 2 1HE MET 2 2.301 -2.731 5.457
12 2HE MET 2 2HE MET 2 2.544 -1.689 4.034
13 3HE MET 2 3HE MET 2 1.210 -2.867 4.057
14 H HIS 3 H HIS 3 1.264 -3.184 -0.598
15 HA HIS 3 HA HIS 3 0.935 -5.906 -1.249
16 1HB HIS 3 1HB HIS 3 -0.686 -3.730 -0.481
17 2HB HIS 3 2HB HIS 3 -1.295 -4.238 -2.044
18 HD1 HIS 3 HD1 HIS 3 -2.527 -6.494 -2.186
19 HD2 HIS 3 HD2 HIS 3 -0.871 -5.718 1.590
20 HE1 HIS 3 HE1 HIS 3 -3.488 -8.255 -0.608
21 H ASP 4 H ASP 4 2.180 -3.309 -3.023
22 HA ASP 4 HA ASP 4 0.966 -3.677 -5.480
23 1HB ASP 4 1HB ASP 4 3.586 -2.551 -4.502
24 2HB ASP 4 2HB ASP 4 3.427 -2.842 -6.223
25 HD2 ASP 4 HD2 ASP 4 0.782 -1.808 -4.284
26 H PHE 5 H PHE 5 3.555 -5.380 -3.717
27 HA PHE 5 HA PHE 5 4.569 -6.761 -5.989
28 1HB PHE 5 1HB PHE 5 4.753 -7.752 -3.122
29 2HB PHE 5 2HB PHE 5 6.019 -7.700 -4.333
30 HD1 PHE 5 HD1 PHE 5 5.667 -4.780 -5.132
31 HD2 PHE 5 HD2 PHE 5 5.880 -6.682 -1.345
32 HE1 PHE 5 HE1 PHE 5 6.552 -2.662 -4.117
33 HE2 PHE 5 HE2 PHE 5 6.765 -4.564 -0.330
34 HZ PHE 5 HZ PHE 5 7.090 -2.579 -1.729
35 H PHE 6 H PHE 6 1.890 -7.199 -3.740
36 HA PHE 6 HA PHE 6 1.669 -10.008 -4.133
37 1HB PHE 6 1HB PHE 6 -0.097 -7.728 -3.087
38 2HB PHE 6 2HB PHE 6 -0.695 -9.374 -3.133
39 HD1 PHE 6 HD1 PHE 6 -0.345 -10.760 -1.307
40 HD2 PHE 6 HD2 PHE 6 2.165 -7.377 -1.818
41 HE1 PHE 6 HE1 PHE 6 0.712 -11.206 0.926
42 HE2 PHE 6 HE2 PHE 6 3.221 -7.823 0.414
43 HZ PHE 6 HZ PHE 6 2.482 -9.732 1.760
44 H VAL 7 H VAL 7 0.479 -7.078 -5.762
45 HA VAL 7 HA VAL 7 -1.626 -8.340 -7.156
46 HB VAL 7 HB VAL 7 -0.030 -5.833 -7.718
47 1HG1 VAL 7 1HG1 VAL 7 -1.708 -7.151 -9.484
48 2HG1 VAL 7 2HG1 VAL 7 -2.777 -5.942 -8.733
49 3HG1 VAL 7 3HG1 VAL 7 -1.276 -5.425 -9.538
50 1HG2 VAL 7 1HG2 VAL 7 -2.687 -5.297 -6.842
51 2HG2 VAL 7 2HG2 VAL 7 -1.971 -6.468 -5.709
52 3HG2 VAL 7 3HG2 VAL 7 -1.152 -4.919 -6.024
53 H GLY 8 H GLY 8 1.882 -8.130 -7.582
54 1HA GLY 8 1HA GLY 8 1.889 -8.860 -10.349
55 2HA GLY 8 2HA GLY 8 3.249 -8.829 -9.244
56 H LEU 9 H LEU 9 1.373 -10.567 -7.346
57 HA LEU 9 HA LEU 9 2.411 -13.063 -8.346
58 1HB LEU 9 1HB LEU 9 1.919 -11.942 -5.837
59 2HB LEU 9 2HB LEU 9 0.726 -13.217 -5.989
60 HG LEU 9 HG LEU 9 3.515 -13.931 -6.739
61 1HD1 LEU 9 1HD1 LEU 9 2.735 -13.588 -3.832
62 2HD1 LEU 9 2HD1 LEU 9 4.282 -14.191 -4.473
63 3HD1 LEU 9 3HD1 LEU 9 3.812 -12.494 -4.733
64 1HD2 LEU 9 1HD2 LEU 9 2.455 -15.890 -6.759
65 2HD2 LEU 9 2HD2 LEU 9 2.485 -15.810 -4.981
66 3HD2 LEU 9 3HD2 LEU 9 1.056 -15.237 -5.874
67 H MET 10 H MET 10 -0.550 -11.213 -8.448
68 HA MET 10 HA MET 10 -2.221 -13.482 -8.806
69 1HB MET 10 1HB MET 10 -2.452 -10.554 -8.568
70 2HB MET 10 2HB MET 10 -3.480 -11.143 -9.859
71 1HG MET 10 1HG MET 10 -4.385 -12.892 -8.212
72 2HG MET 10 2HG MET 10 -3.496 -12.067 -6.948
73 1HE MET 10 1HE MET 10 -6.263 -11.505 -5.715
74 2HE MET 10 2HE MET 10 -7.476 -11.378 -7.011
75 3HE MET 10 3HE MET 10 -6.335 -12.744 -6.991
Start of MODEL 18
1 HA ASP 1 HA ASP 1 3.042 0.435 -0.998
2 1HB ASP 1 1HB ASP 1 1.518 -2.070 -1.292
3 2HB ASP 1 2HB ASP 1 1.993 -1.420 -2.849
4 HD2 ASP 1 HD2 ASP 1 4.066 -3.641 -0.754
5 H MET 2 H MET 2 -0.494 0.153 -1.567
6 HA MET 2 HA MET 2 -0.388 1.314 -4.143
7 1HB MET 2 1HB MET 2 -2.212 -0.209 -2.862
8 2HB MET 2 2HB MET 2 -2.861 1.345 -2.380
9 1HG MET 2 1HG MET 2 -3.922 1.445 -4.386
10 2HG MET 2 2HG MET 2 -2.355 1.641 -5.146
11 1HE MET 2 1HE MET 2 -1.272 0.121 -6.587
12 2HE MET 2 2HE MET 2 -0.749 -0.916 -5.238
13 3HE MET 2 3HE MET 2 -1.492 -1.643 -6.683
14 H HIS 3 H HIS 3 -0.089 2.563 -0.959
15 HA HIS 3 HA HIS 3 -1.420 5.035 -1.420
16 1HB HIS 3 1HB HIS 3 -0.314 5.694 0.715
17 2HB HIS 3 2HB HIS 3 -1.290 4.243 0.817
18 HD1 HIS 3 HD1 HIS 3 2.415 4.953 0.050
19 HD2 HIS 3 HD2 HIS 3 -0.002 2.342 2.271
20 HE1 HIS 3 HE1 HIS 3 4.004 3.378 1.276
21 H ASP 4 H ASP 4 1.772 3.669 -2.051
22 HA ASP 4 HA ASP 4 3.292 5.920 -2.107
23 1HB ASP 4 1HB ASP 4 4.741 4.705 -3.679
24 2HB ASP 4 2HB ASP 4 4.141 3.607 -2.451
25 HD2 ASP 4 HD2 ASP 4 4.770 2.070 -4.169
26 H PHE 5 H PHE 5 0.602 4.961 -4.120
27 HA PHE 5 HA PHE 5 1.217 6.068 -6.558
28 1HB PHE 5 1HB PHE 5 -1.111 5.754 -6.897
29 2HB PHE 5 2HB PHE 5 -0.873 4.754 -5.477
30 HD1 PHE 5 HD1 PHE 5 -2.744 7.399 -6.862
31 HD2 PHE 5 HD2 PHE 5 -1.218 5.954 -3.175
32 HE1 PHE 5 HE1 PHE 5 -4.459 8.750 -5.623
33 HE2 PHE 5 HE2 PHE 5 -2.933 7.305 -1.936
34 HZ PHE 5 HZ PHE 5 -4.533 8.686 -3.175
35 H PHE 6 H PHE 6 0.803 7.651 -3.496
36 HA PHE 6 HA PHE 6 -0.174 10.116 -4.529
37 1HB PHE 6 1HB PHE 6 -0.218 10.610 -2.237
38 2HB PHE 6 2HB PHE 6 0.004 8.879 -2.077
39 HD1 PHE 6 HD1 PHE 6 2.230 7.957 -1.550
40 HD2 PHE 6 HD2 PHE 6 1.549 12.143 -1.689
41 HE1 PHE 6 HE1 PHE 6 4.370 8.347 -0.298
42 HE2 PHE 6 HE2 PHE 6 3.689 12.533 -0.436
43 HZ PHE 6 HZ PHE 6 5.074 10.630 0.244
44 H VAL 7 H VAL 7 3.055 8.815 -3.541
45 HA VAL 7 HA VAL 7 4.490 11.158 -3.810
46 HB VAL 7 HB VAL 7 5.057 8.725 -2.973
47 1HG1 VAL 7 1HG1 VAL 7 4.884 7.858 -5.379
48 2HG1 VAL 7 2HG1 VAL 7 6.447 8.662 -5.658
49 3HG1 VAL 7 3HG1 VAL 7 6.315 7.371 -4.440
50 1HG2 VAL 7 1HG2 VAL 7 7.313 10.257 -4.265
51 2HG2 VAL 7 2HG2 VAL 7 6.406 10.937 -2.892
52 3HG2 VAL 7 3HG2 VAL 7 7.281 9.398 -2.706
53 H GLY 8 H GLY 8 3.401 8.768 -6.259
54 1HA GLY 8 1HA GLY 8 4.883 9.956 -8.401
55 2HA GLY 8 2HA GLY 8 3.625 8.741 -8.511
56 H LEU 9 H LEU 9 1.877 10.668 -6.731
57 HA LEU 9 HA LEU 9 0.554 11.864 -8.935
58 1HB LEU 9 1HB LEU 9 -0.154 11.023 -6.440
59 2HB LEU 9 2HB LEU 9 -0.120 12.760 -6.211
60 HG LEU 9 HG LEU 9 -1.657 12.977 -8.200
61 1HD1 LEU 9 1HD1 LEU 9 -0.983 10.460 -8.835
62 2HD1 LEU 9 2HD1 LEU 9 -2.475 10.135 -7.920
63 3HD1 LEU 9 3HD1 LEU 9 -2.515 11.216 -9.334
64 1HD2 LEU 9 1HD2 LEU 9 -3.247 11.327 -6.376
65 2HD2 LEU 9 2HD2 LEU 9 -2.206 12.506 -5.543
66 3HD2 LEU 9 3HD2 LEU 9 -3.371 13.059 -6.770
67 H MET 10 H MET 10 3.189 12.790 -6.856
68 HA MET 10 HA MET 10 2.727 15.591 -7.294
69 1HB MET 10 1HB MET 10 4.775 13.893 -5.809
70 2HB MET 10 2HB MET 10 5.118 15.586 -6.100
71 1HG MET 10 1HG MET 10 2.788 16.080 -5.057
72 2HG MET 10 2HG MET 10 2.788 14.410 -4.524
73 1HE MET 10 1HE MET 10 2.283 16.251 -2.629
74 2HE MET 10 2HE MET 10 3.520 16.506 -1.374
75 3HE MET 10 3HE MET 10 3.350 17.674 -2.706
Start of MODEL 19
1 HA ASP 1 HA ASP 1 2.943 -0.630 -1.057
2 1HB ASP 1 1HB ASP 1 0.186 -0.561 -2.092
3 2HB ASP 1 2HB ASP 1 1.322 0.101 -3.251
4 HD2 ASP 1 HD2 ASP 1 2.094 -3.641 -2.085
5 H MET 2 H MET 2 0.676 2.148 -0.858
6 HA MET 2 HA MET 2 2.198 3.791 -2.585
7 1HB MET 2 1HB MET 2 0.637 5.586 -1.637
8 2HB MET 2 2HB MET 2 -0.200 4.199 -2.305
9 1HG MET 2 1HG MET 2 0.342 3.567 0.438
10 2HG MET 2 2HG MET 2 -0.256 5.214 0.420
11 1HE MET 2 1HE MET 2 -3.217 4.437 1.418
12 2HE MET 2 2HE MET 2 -2.924 2.683 1.491
13 3HE MET 2 3HE MET 2 -1.636 3.821 1.956
14 H HIS 3 H HIS 3 2.360 2.895 0.796
15 HA HIS 3 HA HIS 3 3.464 5.178 1.883
16 1HB HIS 3 1HB HIS 3 4.382 3.660 3.602
17 2HB HIS 3 2HB HIS 3 2.685 3.380 3.264
18 HD1 HIS 3 HD1 HIS 3 4.499 1.187 4.550
19 HD2 HIS 3 HD2 HIS 3 3.662 1.488 0.450
20 HE1 HIS 3 HE1 HIS 3 4.862 -1.142 3.573
21 H ASP 4 H ASP 4 4.771 2.842 -0.389
22 HA ASP 4 HA ASP 4 7.430 3.008 0.131
23 1HB ASP 4 1HB ASP 4 5.825 2.753 -2.429
24 2HB ASP 4 2HB ASP 4 7.573 2.843 -2.516
25 HD2 ASP 4 HD2 ASP 4 6.596 -0.281 -2.933
26 H PHE 5 H PHE 5 5.202 5.293 -1.515
27 HA PHE 5 HA PHE 5 7.275 6.969 -2.513
28 1HB PHE 5 1HB PHE 5 4.421 7.847 -1.926
29 2HB PHE 5 2HB PHE 5 5.395 8.212 -3.337
30 HD1 PHE 5 HD1 PHE 5 6.225 5.204 -3.717
31 HD2 PHE 5 HD2 PHE 5 2.506 7.193 -3.245
32 HE1 PHE 5 HE1 PHE 5 5.080 3.364 -4.984
33 HE2 PHE 5 HE2 PHE 5 1.361 5.354 -4.512
34 HZ PHE 5 HZ PHE 5 2.662 3.461 -5.367
35 H PHE 6 H PHE 6 5.532 6.625 0.534
36 HA PHE 6 HA PHE 6 6.006 9.292 1.408
37 1HB PHE 6 1HB PHE 6 4.881 6.682 2.353
38 2HB PHE 6 2HB PHE 6 5.618 7.617 3.640
39 HD1 PHE 6 HD1 PHE 6 4.211 8.995 4.822
40 HD2 PHE 6 HD2 PHE 6 3.329 8.225 0.743
41 HE1 PHE 6 HE1 PHE 6 2.124 10.378 5.012
42 HE2 PHE 6 HE2 PHE 6 1.243 9.608 0.933
43 HZ PHE 6 HZ PHE 6 0.665 10.668 3.065
44 H VAL 7 H VAL 7 7.724 6.169 1.570
45 HA VAL 7 HA VAL 7 9.473 6.850 3.652
46 HB VAL 7 HB VAL 7 9.642 4.910 1.344
47 1HG1 VAL 7 1HG1 VAL 7 11.474 3.811 2.648
48 2HG1 VAL 7 2HG1 VAL 7 11.915 5.401 1.980
49 3HG1 VAL 7 3HG1 VAL 7 11.518 5.240 3.707
50 1HG2 VAL 7 1HG2 VAL 7 8.146 3.813 2.604
51 2HG2 VAL 7 2HG2 VAL 7 9.489 3.504 3.730
52 3HG2 VAL 7 3HG2 VAL 7 8.405 4.890 3.998
53 H GLY 8 H GLY 8 9.358 7.630 0.190
54 1HA GLY 8 1HA GLY 8 12.085 8.481 0.002
55 2HA GLY 8 2HA GLY 8 10.793 8.755 -1.150
56 H LEU 9 H LEU 9 9.163 9.827 1.364
57 HA LEU 9 HA LEU 9 9.945 12.558 0.909
58 1HB LEU 9 1HB LEU 9 7.623 12.041 0.878
59 2HB LEU 9 2HB LEU 9 7.706 11.236 2.432
60 HG LEU 9 HG LEU 9 8.601 13.998 2.636
61 1HD1 LEU 9 1HD1 LEU 9 7.187 14.976 1.212
62 2HD1 LEU 9 2HD1 LEU 9 6.240 13.487 0.983
63 3HD1 LEU 9 3HD1 LEU 9 5.912 14.544 2.376
64 1HD2 LEU 9 1HD2 LEU 9 6.778 12.106 4.023
65 2HD2 LEU 9 2HD2 LEU 9 8.045 13.175 4.671
66 3HD2 LEU 9 3HD2 LEU 9 6.454 13.843 4.236
67 H MET 10 H MET 10 10.624 10.008 3.179
68 HA MET 10 HA MET 10 11.154 11.719 5.367
69 1HB MET 10 1HB MET 10 11.597 8.810 4.640
70 2HB MET 10 2HB MET 10 12.510 9.450 5.992
71 1HG MET 10 1HG MET 10 9.672 10.245 6.116
72 2HG MET 10 2HG MET 10 9.859 8.503 6.075
73 1HE MET 10 1HE MET 10 12.748 8.113 8.630
74 2HE MET 10 2HE MET 10 11.245 7.162 8.575
75 3HE MET 10 3HE MET 10 12.064 7.620 7.063
Start of MODEL 20
1 HA ASP 1 HA ASP 1 1.330 0.161 -2.026
2 1HB ASP 1 1HB ASP 1 3.278 1.457 -0.235
3 2HB ASP 1 2HB ASP 1 4.068 0.698 -1.602
4 HD2 ASP 1 HD2 ASP 1 2.541 4.189 -2.058
5 H MET 2 H MET 2 3.160 -1.424 0.628
6 HA MET 2 HA MET 2 4.666 -3.072 -1.107
7 1HB MET 2 1HB MET 2 4.896 -2.295 1.507
8 2HB MET 2 2HB MET 2 4.123 -3.847 1.763
9 1HG MET 2 1HG MET 2 5.915 -5.051 0.724
10 2HG MET 2 2HG MET 2 6.541 -3.618 -0.066
11 1HE MET 2 1HE MET 2 9.516 -3.847 2.095
12 2HE MET 2 2HE MET 2 8.724 -4.252 0.554
13 3HE MET 2 3HE MET 2 8.875 -2.551 1.058
14 H HIS 3 H HIS 3 1.408 -3.112 0.072
15 HA HIS 3 HA HIS 3 1.051 -5.895 0.236
16 1HB HIS 3 1HB HIS 3 -1.369 -5.316 0.105
17 2HB HIS 3 2HB HIS 3 -0.483 -4.459 1.351
18 HD1 HIS 3 HD1 HIS 3 -1.316 -2.121 1.517
19 HD2 HIS 3 HD2 HIS 3 -1.216 -3.467 -2.455
20 HE1 HIS 3 HE1 HIS 3 -2.104 -0.165 0.079
21 H ASP 4 H ASP 4 1.215 -3.577 -2.423
22 HA ASP 4 HA ASP 4 -0.218 -5.017 -4.293
23 1HB ASP 4 1HB ASP 4 0.947 -3.647 -5.953
24 2HB ASP 4 2HB ASP 4 0.555 -2.655 -4.563
25 HD2 ASP 4 HD2 ASP 4 3.697 -1.508 -4.523
26 H PHE 5 H PHE 5 2.779 -5.657 -2.689
27 HA PHE 5 HA PHE 5 4.191 -6.931 -4.760
28 1HB PHE 5 1HB PHE 5 5.659 -7.477 -2.947
29 2HB PHE 5 2HB PHE 5 4.843 -6.051 -2.338
30 HD1 PHE 5 HD1 PHE 5 2.193 -7.316 -1.633
31 HD2 PHE 5 HD2 PHE 5 6.184 -8.584 -0.944
32 HE1 PHE 5 HE1 PHE 5 1.435 -8.609 0.380
33 HE2 PHE 5 HE2 PHE 5 5.425 -9.877 1.069
34 HZ PHE 5 HZ PHE 5 3.060 -9.874 1.707
35 H PHE 6 H PHE 6 1.255 -7.764 -3.281
36 HA PHE 6 HA PHE 6 1.680 -10.570 -3.063
37 1HB PHE 6 1HB PHE 6 -0.120 -9.799 -1.745
38 2HB PHE 6 2HB PHE 6 -0.506 -8.507 -2.864
39 HD1 PHE 6 HD1 PHE 6 -0.559 -12.248 -2.830
40 HD2 PHE 6 HD2 PHE 6 -2.538 -8.658 -3.926
41 HE1 PHE 6 HE1 PHE 6 -2.498 -13.583 -3.701
42 HE2 PHE 6 HE2 PHE 6 -4.477 -9.993 -4.797
43 HZ PHE 6 HZ PHE 6 -4.434 -12.439 -4.674
44 H VAL 7 H VAL 7 -0.051 -8.415 -5.422
45 HA VAL 7 HA VAL 7 -0.888 -10.457 -7.111
46 HB VAL 7 HB VAL 7 -1.468 -8.761 -8.590
47 1HG1 VAL 7 1HG1 VAL 7 -2.654 -7.252 -7.281
48 2HG1 VAL 7 2HG1 VAL 7 -2.331 -8.572 -6.131
49 3HG1 VAL 7 3HG1 VAL 7 -1.343 -7.092 -6.088
50 1HG2 VAL 7 1HG2 VAL 7 0.638 -7.770 -9.100
51 2HG2 VAL 7 2HG2 VAL 7 -0.406 -6.460 -8.497
52 3HG2 VAL 7 3HG2 VAL 7 0.837 -7.167 -7.437
53 H GLY 8 H GLY 8 2.159 -8.528 -7.004
54 1HA GLY 8 1HA GLY 8 3.235 -9.747 -9.364
55 2HA GLY 8 2HA GLY 8 4.063 -8.712 -8.217
56 H LEU 9 H LEU 9 2.947 -10.640 -5.982
57 HA LEU 9 HA LEU 9 5.303 -12.213 -5.858
58 1HB LEU 9 1HB LEU 9 4.573 -11.524 -3.802
59 2HB LEU 9 2HB LEU 9 2.880 -11.774 -4.182
60 HG LEU 9 HG LEU 9 3.433 -14.297 -4.155
61 1HD1 LEU 9 1HD1 LEU 9 5.990 -13.604 -4.053
62 2HD1 LEU 9 2HD1 LEU 9 5.671 -13.613 -2.302
63 3HD1 LEU 9 3HD1 LEU 9 5.382 -15.081 -3.266
64 1HD2 LEU 9 1HD2 LEU 9 3.708 -13.748 -1.394
65 2HD2 LEU 9 2HD2 LEU 9 2.742 -12.427 -2.093
66 3HD2 LEU 9 3HD2 LEU 9 2.225 -14.117 -2.306
67 H MET 10 H MET 10 2.239 -12.563 -7.423
68 HA MET 10 HA MET 10 2.323 -15.430 -7.317
69 1HB MET 10 1HB MET 10 0.431 -13.288 -8.101
70 2HB MET 10 2HB MET 10 0.428 -14.607 -9.255
71 1HG MET 10 1HG MET 10 -0.170 -16.226 -7.572
72 2HG MET 10 2HG MET 10 0.229 -15.134 -6.262
73 1HE MET 10 1HE MET 10 -2.688 -15.797 -5.392
74 2HE MET 10 2HE MET 10 -3.715 -16.010 -6.830
75 3HE MET 10 3HE MET 10 -2.162 -16.871 -6.711
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