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 |
|
|
22243 |
2jn5   |
15095 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA MET 1 HA MET 1 -6.467 -1.568 0.033
2 H1 MET 1 1H MET 1 -6.945 -1.806 -2.305
3 H2 MET 1 2H MET 1 -7.348 -3.224 -1.477
4 H3 MET 1 3H MET 1 -5.937 -3.161 -2.408
5 HB2 MET 1 2HB MET 1 -4.426 -3.756 -0.328
6 HB3 MET 1 1HB MET 1 -4.920 -2.976 1.166
7 HG2 MET 1 2HG MET 1 -6.693 -4.728 -0.514
8 HG3 MET 1 1HG MET 1 -5.791 -5.265 0.900
9 HE1 MET 1 3HE MET 1 -9.458 -5.244 2.238
10 HE2 MET 1 1HE MET 1 -7.990 -6.192 2.007
11 HE3 MET 1 2HE MET 1 -8.937 -5.680 0.611
12 H ASP 2 H ASP 2 -3.913 -1.286 0.848
13 HA ASP 2 HA ASP 2 -2.281 -0.316 -1.335
14 HB2 ASP 2 2HB ASP 2 -3.293 1.568 0.811
15 HB3 ASP 2 1HB ASP 2 -2.076 1.963 -0.399
16 H VAL 3 H VAL 3 -0.966 -2.021 -0.522
17 HA VAL 3 HA VAL 3 0.843 -1.122 1.554
18 HB VAL 3 HB VAL 3 -0.676 -2.299 2.956
19 HG11 VAL 3 1HG1 VAL 3 -0.585 -4.498 0.902
20 HG12 VAL 3 2HG1 VAL 3 -1.970 -3.497 1.351
21 HG13 VAL 3 3HG1 VAL 3 -1.313 -4.665 2.500
22 HG21 VAL 3 3HG2 VAL 3 1.693 -2.771 3.378
23 HG22 VAL 3 1HG2 VAL 3 1.596 -4.180 2.320
24 HG23 VAL 3 2HG2 VAL 3 0.667 -4.134 3.819
25 H PHE 4 H PHE 4 0.043 -2.953 -1.195
26 HA PHE 4 HA PHE 4 2.251 -4.713 -1.333
27 HD1 PHE 4 2HD PHE 4 -0.650 -2.300 -3.464
28 HD2 PHE 4 1HD PHE 4 -0.520 -6.396 -2.323
29 HE1 PHE 4 2HE PHE 4 -3.089 -2.290 -3.176
30 HE2 PHE 4 1HE PHE 4 -2.964 -6.397 -2.035
31 HZ PHE 4 HZ PHE 4 -4.252 -4.343 -2.462
32 HB2 PHE 4 2HB PHE 4 1.303 -3.703 -3.923
33 HB3 PHE 4 1HB PHE 4 1.381 -5.353 -3.322
34 H MET 5 H MET 5 1.685 -1.641 -3.033
35 HA MET 5 HA MET 5 4.445 -1.417 -3.805
36 HB2 MET 5 2HB MET 5 2.082 0.448 -4.053
37 HB3 MET 5 1HB MET 5 3.688 0.840 -4.658
38 HG2 MET 5 2HG MET 5 1.986 -1.484 -5.531
39 HG3 MET 5 1HG MET 5 2.244 0.012 -6.428
40 HE1 MET 5 3HE MET 5 2.722 -2.961 -7.598
41 HE2 MET 5 1HE MET 5 4.211 -2.697 -8.506
42 HE3 MET 5 2HE MET 5 2.927 -1.488 -8.543
43 H LYS 6 H LYS 6 5.945 0.100 -3.080
44 HA LYS 6 HA LYS 6 5.687 0.803 -0.299
45 HB2 LYS 6 2HB LYS 6 7.921 1.311 -2.268
46 HB3 LYS 6 1HB LYS 6 8.009 1.632 -0.542
47 HG2 LYS 6 2HG LYS 6 7.607 -1.071 -1.806
48 HG3 LYS 6 1HG LYS 6 9.116 -0.458 -1.131
49 HD2 LYS 6 2HD LYS 6 6.556 -0.856 0.418
50 HD3 LYS 6 1HD LYS 6 7.923 -1.972 0.413
51 HE2 LYS 6 2HE LYS 6 9.358 -0.216 1.336
52 HE3 LYS 6 1HE LYS 6 7.992 0.899 1.341
53 HZ1 LYS 6 3HZ LYS 6 8.179 -1.621 2.902
54 HZ2 LYS 6 1HZ LYS 6 6.856 -0.566 2.898
55 HZ3 LYS 6 2HZ LYS 6 8.342 -0.058 3.523
56 H GLY 7 H GLY 7 4.479 2.244 -2.933
57 HA2 GLY 7 2HA GLY 7 4.217 4.779 -1.596
58 HA3 GLY 7 1HA GLY 7 5.223 4.867 -3.033
59 H LEU 8 H LEU 8 2.005 4.497 -1.794
60 HA LEU 8 HA LEU 8 0.935 5.223 -4.376
61 HG LEU 8 HG LEU 8 -1.057 2.854 -2.295
62 HB2 LEU 8 2HB LEU 8 -0.522 3.377 -4.669
63 HB3 LEU 8 1HB LEU 8 1.086 2.727 -4.420
64 HD11 LEU 8 1HD1 LEU 8 -1.237 0.434 -2.623
65 HD12 LEU 8 2HD1 LEU 8 -0.115 0.537 -3.978
66 HD13 LEU 8 3HD1 LEU 8 -1.690 1.326 -4.075
67 HD21 LEU 8 3HD2 LEU 8 0.450 1.260 -1.123
68 HD22 LEU 8 1HD2 LEU 8 1.131 2.877 -1.309
69 HD23 LEU 8 2HD2 LEU 8 1.668 1.568 -2.360
70 H SER 9 H SER 9 0.257 4.312 -1.013
71 HA SER 9 HA SER 9 -1.270 6.647 -0.549
72 HG SER 9 HG SER 9 -3.654 6.676 -0.011
73 HB2 SER 9 2HB SER 9 -2.961 5.516 -1.893
74 HB3 SER 9 1HB SER 9 -2.857 4.089 -0.864
75 H LYS 10 H LYS 10 -0.479 3.354 0.430
76 HA LYS 10 HA LYS 10 -0.269 2.367 2.477
77 HB2 LYS 10 2HB LYS 10 0.747 5.145 3.094
78 HB3 LYS 10 1HB LYS 10 0.965 3.755 4.150
79 HG2 LYS 10 2HG LYS 10 1.996 3.976 1.331
80 HG3 LYS 10 1HG LYS 10 2.951 4.215 2.795
81 HD2 LYS 10 2HD LYS 10 2.808 1.967 3.399
82 HD3 LYS 10 1HD LYS 10 1.441 1.666 2.323
83 HE2 LYS 10 2HE LYS 10 3.469 0.691 1.414
84 HE3 LYS 10 1HE LYS 10 2.897 2.012 0.390
85 HZ1 LYS 10 3HZ LYS 10 5.028 2.303 2.438
86 HZ2 LYS 10 1HZ LYS 10 4.559 3.448 1.283
87 HZ3 LYS 10 2HZ LYS 10 5.330 2.022 0.800
88 H ALA 11 H ALA 11 -2.597 2.152 2.690
89 HA ALA 11 HA ALA 11 -3.816 4.009 4.612
90 HB1 ALA 11 3HB ALA 11 -5.118 1.931 2.856
91 HB2 ALA 11 1HB ALA 11 -5.065 3.666 2.546
92 HB3 ALA 11 2HB ALA 11 -5.958 3.045 3.935
93 H LYS 12 H LYS 12 -2.259 1.066 4.515
94 HA LYS 12 HA LYS 12 -3.828 -0.351 6.452
95 HB2 LYS 12 2HB LYS 12 -1.141 -0.778 5.190
96 HB3 LYS 12 1HB LYS 12 -1.619 -1.735 6.582
97 HG2 LYS 12 2HG LYS 12 -2.092 -2.959 4.572
98 HG3 LYS 12 1HG LYS 12 -3.611 -2.496 5.339
99 HD2 LYS 12 2HD LYS 12 -2.560 -0.598 3.346
100 HD3 LYS 12 1HD LYS 12 -3.088 -2.162 2.713
101 HE2 LYS 12 2HE LYS 12 -5.233 -1.835 3.966
102 HE3 LYS 12 1HE LYS 12 -4.697 -0.200 4.341
103 HZ1 LYS 12 3HZ LYS 12 -6.136 -0.193 2.422
104 HZ2 LYS 12 1HZ LYS 12 -5.143 -1.306 1.622
105 HZ3 LYS 12 2HZ LYS 12 -4.571 0.250 1.956
Start of MODEL 2
1 HA MET 1 HA MET 1 -6.700 -1.349 0.109
2 H1 MET 1 1H MET 1 -6.824 -3.136 -2.238
3 H2 MET 1 2H MET 1 -7.466 -1.575 -2.144
4 H3 MET 1 3H MET 1 -8.099 -2.807 -1.175
5 HB2 MET 1 2HB MET 1 -4.955 -3.207 0.754
6 HB3 MET 1 1HB MET 1 -6.669 -3.421 1.091
7 HG2 MET 1 2HG MET 1 -6.794 -4.590 -1.149
8 HG3 MET 1 1HG MET 1 -5.033 -4.635 -1.101
9 HE1 MET 1 3HE MET 1 -4.534 -4.989 2.047
10 HE2 MET 1 1HE MET 1 -3.644 -5.880 0.812
11 HE3 MET 1 2HE MET 1 -4.393 -6.744 2.155
12 H ASP 2 H ASP 2 -4.372 -0.907 0.690
13 HA ASP 2 HA ASP 2 -2.565 -0.846 -1.599
14 HB2 ASP 2 2HB ASP 2 -3.410 1.647 -0.107
15 HB3 ASP 2 1HB ASP 2 -2.122 1.571 -1.303
16 H VAL 3 H VAL 3 -0.955 -1.979 -0.716
17 HA VAL 3 HA VAL 3 0.570 -0.799 1.418
18 HB VAL 3 HB VAL 3 -0.929 -1.980 2.828
19 HG11 VAL 3 1HG1 VAL 3 -0.542 -4.306 0.962
20 HG12 VAL 3 2HG1 VAL 3 -2.034 -3.433 1.323
21 HG13 VAL 3 3HG1 VAL 3 -1.288 -4.454 2.555
22 HG21 VAL 3 3HG2 VAL 3 1.433 -2.194 3.437
23 HG22 VAL 3 1HG2 VAL 3 1.537 -3.688 2.504
24 HG23 VAL 3 2HG2 VAL 3 0.505 -3.610 3.932
25 H PHE 4 H PHE 4 0.097 -3.075 -1.111
26 HA PHE 4 HA PHE 4 2.442 -4.590 -0.976
27 HD1 PHE 4 2HD PHE 4 -0.421 -2.538 -3.444
28 HD2 PHE 4 1HD PHE 4 -0.106 -6.577 -2.137
29 HE1 PHE 4 2HE PHE 4 -2.870 -2.696 -3.360
30 HE2 PHE 4 1HE PHE 4 -2.560 -6.746 -2.056
31 HZ PHE 4 HZ PHE 4 -3.946 -4.803 -2.668
32 HB2 PHE 4 2HB PHE 4 1.658 -3.840 -3.706
33 HB3 PHE 4 1HB PHE 4 1.800 -5.435 -2.977
34 H MET 5 H MET 5 1.826 -1.691 -2.945
35 HA MET 5 HA MET 5 4.592 -1.336 -3.579
36 HB2 MET 5 2HB MET 5 2.152 0.400 -3.967
37 HB3 MET 5 1HB MET 5 3.760 0.877 -4.502
38 HG2 MET 5 2HG MET 5 2.208 -1.533 -5.423
39 HG3 MET 5 1HG MET 5 2.487 -0.051 -6.334
40 HE1 MET 5 3HE MET 5 4.650 -2.723 -8.238
41 HE2 MET 5 1HE MET 5 3.385 -1.503 -8.394
42 HE3 MET 5 2HE MET 5 3.086 -2.970 -7.461
43 H LYS 6 H LYS 6 6.035 0.157 -2.775
44 HA LYS 6 HA LYS 6 5.695 0.911 -0.046
45 HB2 LYS 6 2HB LYS 6 7.873 0.247 -1.052
46 HB3 LYS 6 1HB LYS 6 7.865 1.738 -1.980
47 HG2 LYS 6 2HG LYS 6 9.294 1.937 -0.032
48 HG3 LYS 6 1HG LYS 6 7.918 3.036 0.089
49 HD2 LYS 6 2HD LYS 6 8.304 1.976 2.229
50 HD3 LYS 6 1HD LYS 6 6.782 1.399 1.549
51 HE2 LYS 6 2HE LYS 6 8.072 -0.433 2.530
52 HE3 LYS 6 1HE LYS 6 7.877 -0.640 0.789
53 HZ1 LYS 6 3HZ LYS 6 10.134 -1.132 1.490
54 HZ2 LYS 6 1HZ LYS 6 10.301 0.421 2.142
55 HZ3 LYS 6 2HZ LYS 6 10.114 0.220 0.473
56 H GLY 7 H GLY 7 4.808 2.373 -2.960
57 HA2 GLY 7 2HA GLY 7 4.115 4.824 -1.538
58 HA3 GLY 7 1HA GLY 7 5.185 5.001 -2.921
59 H LEU 8 H LEU 8 1.955 4.527 -1.853
60 HA LEU 8 HA LEU 8 0.957 5.127 -4.485
61 HG LEU 8 HG LEU 8 -1.035 2.658 -2.535
62 HB2 LEU 8 2HB LEU 8 -0.333 3.185 -4.853
63 HB3 LEU 8 1HB LEU 8 1.284 2.630 -4.471
64 HD11 LEU 8 1HD1 LEU 8 -1.018 0.231 -2.796
65 HD12 LEU 8 2HD1 LEU 8 0.232 0.369 -4.033
66 HD13 LEU 8 3HD1 LEU 8 -1.374 1.039 -4.321
67 HD21 LEU 8 3HD2 LEU 8 0.455 1.251 -1.154
68 HD22 LEU 8 1HD2 LEU 8 1.071 2.888 -1.380
69 HD23 LEU 8 2HD2 LEU 8 1.761 1.553 -2.301
70 H SER 9 H SER 9 0.349 4.344 -1.117
71 HA SER 9 HA SER 9 -1.454 6.491 -0.780
72 HG SER 9 HG SER 9 -4.051 4.655 0.489
73 HB2 SER 9 2HB SER 9 -3.003 5.037 -2.005
74 HB3 SER 9 1HB SER 9 -2.714 3.738 -0.848
75 H LYS 10 H LYS 10 -0.419 3.316 0.392
76 HA LYS 10 HA LYS 10 0.022 2.518 2.477
77 HB2 LYS 10 2HB LYS 10 0.835 5.408 2.778
78 HB3 LYS 10 1HB LYS 10 1.117 4.204 4.029
79 HG2 LYS 10 2HG LYS 10 2.154 4.004 1.210
80 HG3 LYS 10 1HG LYS 10 3.079 4.622 2.581
81 HD2 LYS 10 2HD LYS 10 3.320 2.557 3.527
82 HD3 LYS 10 1HD LYS 10 1.800 1.954 2.861
83 HE2 LYS 10 2HE LYS 10 2.831 1.844 0.640
84 HE3 LYS 10 1HE LYS 10 4.353 2.420 1.324
85 HZ1 LYS 10 3HZ LYS 10 4.436 0.443 2.712
86 HZ2 LYS 10 1HZ LYS 10 4.351 0.019 1.076
87 HZ3 LYS 10 2HZ LYS 10 2.978 -0.109 2.056
88 H ALA 11 H ALA 11 -2.271 2.113 2.785
89 HA ALA 11 HA ALA 11 -3.563 3.951 4.684
90 HB1 ALA 11 3HB ALA 11 -4.847 3.482 2.657
91 HB2 ALA 11 1HB ALA 11 -5.662 2.857 4.090
92 HB3 ALA 11 2HB ALA 11 -4.795 1.757 3.021
93 H LYS 12 H LYS 12 -2.407 0.698 4.225
94 HA LYS 12 HA LYS 12 -3.619 -0.534 6.441
95 HB2 LYS 12 2HB LYS 12 -1.171 -1.105 4.809
96 HB3 LYS 12 1HB LYS 12 -1.495 -2.046 6.257
97 HG2 LYS 12 2HG LYS 12 -2.340 -3.244 4.376
98 HG3 LYS 12 1HG LYS 12 -3.715 -2.638 5.302
99 HD2 LYS 12 2HD LYS 12 -2.742 -0.866 3.161
100 HD3 LYS 12 1HD LYS 12 -3.470 -2.385 2.627
101 HE2 LYS 12 2HE LYS 12 -5.422 -1.861 4.101
102 HE3 LYS 12 1HE LYS 12 -4.711 -0.274 4.386
103 HZ1 LYS 12 3HZ LYS 12 -6.360 -0.182 2.634
104 HZ2 LYS 12 1HZ LYS 12 -5.526 -1.354 1.742
105 HZ3 LYS 12 2HZ LYS 12 -4.827 0.162 2.010
Start of MODEL 3
1 HA MET 1 HA MET 1 -6.906 -1.852 -0.482
2 H1 MET 1 1H MET 1 -5.922 -4.188 -2.017
3 H2 MET 1 2H MET 1 -7.033 -3.033 -2.561
4 H3 MET 1 3H MET 1 -7.442 -4.065 -1.284
5 HB2 MET 1 2HB MET 1 -4.679 -3.726 0.296
6 HB3 MET 1 1HB MET 1 -5.487 -2.527 1.295
7 HG2 MET 1 2HG MET 1 -7.579 -3.914 1.051
8 HG3 MET 1 1HG MET 1 -6.556 -5.160 0.341
9 HE1 MET 1 3HE MET 1 -7.503 -6.819 2.230
10 HE2 MET 1 1HE MET 1 -8.431 -5.512 2.967
11 HE3 MET 1 2HE MET 1 -7.361 -6.502 3.960
12 H ASP 2 H ASP 2 -4.345 -1.203 0.451
13 HA ASP 2 HA ASP 2 -2.649 -0.812 -1.869
14 HB2 ASP 2 2HB ASP 2 -2.540 1.692 -1.349
15 HB3 ASP 2 1HB ASP 2 -3.990 1.116 -2.165
16 H VAL 3 H VAL 3 -1.161 -2.057 -0.749
17 HA VAL 3 HA VAL 3 0.398 -0.606 1.218
18 HB VAL 3 HB VAL 3 -1.018 -1.700 2.755
19 HG11 VAL 3 1HG1 VAL 3 -0.686 -4.190 1.089
20 HG12 VAL 3 2HG1 VAL 3 -2.148 -3.215 1.269
21 HG13 VAL 3 3HG1 VAL 3 -1.514 -4.120 2.644
22 HG21 VAL 3 3HG2 VAL 3 1.406 -3.472 2.450
23 HG22 VAL 3 1HG2 VAL 3 0.422 -3.294 3.902
24 HG23 VAL 3 2HG2 VAL 3 1.361 -1.928 3.300
25 H PHE 4 H PHE 4 -0.008 -3.008 -1.172
26 HA PHE 4 HA PHE 4 2.311 -4.536 -0.946
27 HD1 PHE 4 2HD PHE 4 -0.459 -2.493 -3.493
28 HD2 PHE 4 1HD PHE 4 -0.217 -6.532 -2.175
29 HE1 PHE 4 2HE PHE 4 -2.908 -2.624 -3.467
30 HE2 PHE 4 1HE PHE 4 -2.675 -6.674 -2.152
31 HZ PHE 4 HZ PHE 4 -4.025 -4.719 -2.799
32 HB2 PHE 4 2HB PHE 4 1.613 -3.833 -3.714
33 HB3 PHE 4 1HB PHE 4 1.721 -5.414 -2.949
34 H MET 5 H MET 5 1.839 -1.771 -3.137
35 HA MET 5 HA MET 5 4.593 -1.473 -3.707
36 HB2 MET 5 2HB MET 5 2.204 0.324 -4.089
37 HB3 MET 5 1HB MET 5 3.825 0.796 -4.592
38 HG2 MET 5 2HG MET 5 2.280 -1.594 -5.566
39 HG3 MET 5 1HG MET 5 2.572 -0.101 -6.456
40 HE1 MET 5 3HE MET 5 3.233 -3.100 -7.527
41 HE2 MET 5 1HE MET 5 4.765 -2.775 -8.338
42 HE3 MET 5 2HE MET 5 3.434 -1.627 -8.478
43 H LYS 6 H LYS 6 6.035 0.172 -3.065
44 HA LYS 6 HA LYS 6 5.819 0.869 -0.283
45 HB2 LYS 6 2HB LYS 6 7.944 1.477 -2.340
46 HB3 LYS 6 1HB LYS 6 8.077 1.867 -0.631
47 HG2 LYS 6 2HG LYS 6 7.774 -0.906 -1.766
48 HG3 LYS 6 1HG LYS 6 9.288 -0.179 -1.227
49 HD2 LYS 6 2HD LYS 6 6.865 -0.674 0.507
50 HD3 LYS 6 1HD LYS 6 8.319 -1.673 0.470
51 HE2 LYS 6 2HE LYS 6 8.145 1.221 1.298
52 HE3 LYS 6 1HE LYS 6 8.388 -0.161 2.365
53 HZ1 LYS 6 3HZ LYS 6 10.262 0.732 0.239
54 HZ2 LYS 6 1HZ LYS 6 10.496 -0.595 1.262
55 HZ3 LYS 6 2HZ LYS 6 10.468 0.971 1.900
56 H GLY 7 H GLY 7 4.684 2.280 -3.064
57 HA2 GLY 7 2HA GLY 7 4.235 4.800 -1.680
58 HA3 GLY 7 1HA GLY 7 5.176 4.906 -3.160
59 H LEU 8 H LEU 8 2.049 4.618 -1.794
60 HA LEU 8 HA LEU 8 0.827 5.159 -4.332
61 HG LEU 8 HG LEU 8 -0.924 2.670 -2.122
62 HB2 LEU 8 2HB LEU 8 -0.574 3.237 -4.500
63 HB3 LEU 8 1HB LEU 8 1.085 2.687 -4.380
64 HD11 LEU 8 1HD1 LEU 8 -0.832 0.223 -2.397
65 HD12 LEU 8 2HD1 LEU 8 0.152 0.444 -3.842
66 HD13 LEU 8 3HD1 LEU 8 -1.506 1.042 -3.804
67 HD21 LEU 8 3HD2 LEU 8 0.782 1.265 -0.989
68 HD22 LEU 8 1HD2 LEU 8 1.298 2.934 -1.242
69 HD23 LEU 8 2HD2 LEU 8 1.910 1.654 -2.290
70 H SER 9 H SER 9 0.417 4.347 -0.920
71 HA SER 9 HA SER 9 -1.254 6.576 -0.442
72 HG SER 9 HG SER 9 -3.923 4.784 0.882
73 HB2 SER 9 2HB SER 9 -2.946 5.248 -1.599
74 HB3 SER 9 1HB SER 9 -2.648 3.890 -0.516
75 H LYS 10 H LYS 10 -0.466 3.286 0.649
76 HA LYS 10 HA LYS 10 0.027 2.436 2.703
77 HB2 LYS 10 2HB LYS 10 1.142 5.227 2.964
78 HB3 LYS 10 1HB LYS 10 1.373 3.989 4.193
79 HG2 LYS 10 2HG LYS 10 2.212 3.685 1.320
80 HG3 LYS 10 1HG LYS 10 3.275 4.242 2.614
81 HD2 LYS 10 2HD LYS 10 3.421 2.178 3.569
82 HD3 LYS 10 1HD LYS 10 1.797 1.710 3.061
83 HE2 LYS 10 2HE LYS 10 2.585 1.420 0.774
84 HE3 LYS 10 1HE LYS 10 4.206 1.922 1.258
85 HZ1 LYS 10 3HZ LYS 10 4.340 -0.001 2.705
86 HZ2 LYS 10 1HZ LYS 10 4.011 -0.487 1.118
87 HZ3 LYS 10 2HZ LYS 10 2.775 -0.476 2.273
88 H ALA 11 H ALA 11 -2.428 2.510 2.889
89 HA ALA 11 HA ALA 11 -3.303 4.327 5.021
90 HB1 ALA 11 3HB ALA 11 -4.953 2.550 3.225
91 HB2 ALA 11 1HB ALA 11 -4.683 4.277 2.999
92 HB3 ALA 11 2HB ALA 11 -5.576 3.702 4.406
93 H LYS 12 H LYS 12 -2.444 1.070 4.405
94 HA LYS 12 HA LYS 12 -3.959 -0.272 6.349
95 HB2 LYS 12 2HB LYS 12 -1.355 -0.830 4.979
96 HB3 LYS 12 1HB LYS 12 -1.858 -1.845 6.321
97 HG2 LYS 12 2HG LYS 12 -2.525 -2.896 4.286
98 HG3 LYS 12 1HG LYS 12 -3.974 -2.311 5.103
99 HD2 LYS 12 2HD LYS 12 -2.751 -0.431 3.195
100 HD3 LYS 12 1HD LYS 12 -3.438 -1.898 2.486
101 HE2 LYS 12 2HE LYS 12 -5.531 -1.432 3.769
102 HE3 LYS 12 1HE LYS 12 -4.833 0.115 4.247
103 HZ1 LYS 12 3HZ LYS 12 -4.700 0.745 1.927
104 HZ2 LYS 12 1HZ LYS 12 -6.293 0.341 2.331
105 HZ3 LYS 12 2HZ LYS 12 -5.342 -0.747 1.451
Start of MODEL 4
1 HA MET 1 HA MET 1 -6.654 -1.620 -0.095
2 H1 MET 1 1H MET 1 -7.602 -3.144 -1.683
3 H2 MET 1 2H MET 1 -6.168 -3.158 -2.580
4 H3 MET 1 3H MET 1 -7.080 -1.737 -2.464
5 HB2 MET 1 2HB MET 1 -4.672 -3.850 -0.498
6 HB3 MET 1 1HB MET 1 -5.235 -3.153 1.013
7 HG2 MET 1 2HG MET 1 -6.925 -4.781 -0.869
8 HG3 MET 1 1HG MET 1 -6.136 -5.395 0.581
9 HE1 MET 1 3HE MET 1 -8.571 -6.324 1.303
10 HE2 MET 1 1HE MET 1 -9.302 -5.589 -0.124
11 HE3 MET 1 2HE MET 1 -9.988 -5.287 1.472
12 H ASP 2 H ASP 2 -4.206 -1.287 0.798
13 HA ASP 2 HA ASP 2 -2.438 -0.416 -1.326
14 HB2 ASP 2 2HB ASP 2 -3.561 1.535 0.698
15 HB3 ASP 2 1HB ASP 2 -2.256 1.888 -0.430
16 H VAL 3 H VAL 3 -0.991 -1.922 -0.525
17 HA VAL 3 HA VAL 3 0.618 -1.014 1.688
18 HB VAL 3 HB VAL 3 -0.938 -2.265 2.990
19 HG11 VAL 3 1HG1 VAL 3 -0.643 -4.394 0.889
20 HG12 VAL 3 2HG1 VAL 3 -2.104 -3.535 1.383
21 HG13 VAL 3 3HG1 VAL 3 -1.356 -4.703 2.473
22 HG21 VAL 3 3HG2 VAL 3 0.436 -4.010 3.952
23 HG22 VAL 3 1HG2 VAL 3 1.438 -2.620 3.535
24 HG23 VAL 3 2HG2 VAL 3 1.442 -4.053 2.505
25 H PHE 4 H PHE 4 0.039 -2.879 -1.102
26 HA PHE 4 HA PHE 4 2.344 -4.523 -1.120
27 HD1 PHE 4 2HD PHE 4 -0.634 -2.339 -3.418
28 HD2 PHE 4 1HD PHE 4 -0.251 -6.382 -2.139
29 HE1 PHE 4 2HE PHE 4 -3.076 -2.496 -3.202
30 HE2 PHE 4 1HE PHE 4 -2.696 -6.547 -1.922
31 HZ PHE 4 HZ PHE 4 -4.112 -4.603 -2.453
32 HB2 PHE 4 2HB PHE 4 1.429 -3.591 -3.755
33 HB3 PHE 4 1HB PHE 4 1.600 -5.230 -3.138
34 H MET 5 H MET 5 1.730 -1.692 -3.186
35 HA MET 5 HA MET 5 4.448 -1.286 -3.816
36 HB2 MET 5 2HB MET 5 1.990 0.437 -4.063
37 HB3 MET 5 1HB MET 5 3.577 1.019 -4.551
38 HG2 MET 5 2HG MET 5 2.149 -1.389 -5.654
39 HG3 MET 5 1HG MET 5 2.331 0.172 -6.449
40 HE1 MET 5 3HE MET 5 4.663 1.133 -7.309
41 HE2 MET 5 1HE MET 5 6.201 0.302 -7.077
42 HE3 MET 5 2HE MET 5 5.326 0.941 -5.686
43 H LYS 6 H LYS 6 5.979 0.063 -2.987
44 HA LYS 6 HA LYS 6 5.802 0.725 -0.234
45 HB2 LYS 6 2HB LYS 6 7.903 0.086 -1.423
46 HB3 LYS 6 1HB LYS 6 7.866 1.640 -2.246
47 HG2 LYS 6 2HG LYS 6 9.413 1.684 -0.383
48 HG3 LYS 6 1HG LYS 6 8.066 2.787 -0.098
49 HD2 LYS 6 2HD LYS 6 8.565 1.575 1.935
50 HD3 LYS 6 1HD LYS 6 6.996 1.060 1.312
51 HE2 LYS 6 2HE LYS 6 8.342 -0.837 2.091
52 HE3 LYS 6 1HE LYS 6 8.005 -0.937 0.364
53 HZ1 LYS 6 3HZ LYS 6 10.302 -1.489 0.848
54 HZ2 LYS 6 1HZ LYS 6 10.541 0.018 1.577
55 HZ3 LYS 6 2HZ LYS 6 10.219 -0.078 -0.080
56 H GLY 7 H GLY 7 4.770 2.348 -3.017
57 HA2 GLY 7 2HA GLY 7 4.115 4.698 -1.443
58 HA3 GLY 7 1HA GLY 7 5.216 4.982 -2.783
59 H LEU 8 H LEU 8 1.963 4.497 -1.829
60 HA LEU 8 HA LEU 8 1.051 5.250 -4.460
61 HG LEU 8 HG LEU 8 -1.098 2.813 -2.645
62 HB2 LEU 8 2HB LEU 8 -0.305 3.381 -4.930
63 HB3 LEU 8 1HB LEU 8 1.272 2.740 -4.517
64 HD11 LEU 8 1HD1 LEU 8 -1.226 0.409 -3.012
65 HD12 LEU 8 2HD1 LEU 8 0.079 0.508 -4.194
66 HD13 LEU 8 3HD1 LEU 8 -1.468 1.292 -4.519
67 HD21 LEU 8 3HD2 LEU 8 0.294 1.232 -1.320
68 HD22 LEU 8 1HD2 LEU 8 0.952 2.866 -1.405
69 HD23 LEU 8 2HD2 LEU 8 1.643 1.586 -2.398
70 H SER 9 H SER 9 0.247 4.260 -1.173
71 HA SER 9 HA SER 9 -1.468 6.506 -0.791
72 HG SER 9 HG SER 9 -4.016 5.786 -2.220
73 HB2 SER 9 2HB SER 9 -2.736 3.765 -0.993
74 HB3 SER 9 1HB SER 9 -3.530 5.170 -0.283
75 H LYS 10 H LYS 10 -0.569 3.270 0.324
76 HA LYS 10 HA LYS 10 -0.140 2.409 2.372
77 HB2 LYS 10 2HB LYS 10 0.723 5.199 3.123
78 HB3 LYS 10 1HB LYS 10 1.320 3.675 3.764
79 HG2 LYS 10 2HG LYS 10 1.839 4.897 1.075
80 HG3 LYS 10 1HG LYS 10 3.000 4.451 2.320
81 HD2 LYS 10 2HD LYS 10 1.375 2.587 0.602
82 HD3 LYS 10 1HD LYS 10 3.118 2.856 0.537
83 HE2 LYS 10 2HE LYS 10 1.531 1.555 2.736
84 HE3 LYS 10 1HE LYS 10 2.732 0.800 1.688
85 HZ1 LYS 10 3HZ LYS 10 3.277 2.910 3.707
86 HZ2 LYS 10 1HZ LYS 10 4.433 2.200 2.693
87 HZ3 LYS 10 2HZ LYS 10 3.650 1.267 3.868
88 H ALA 11 H ALA 11 -2.378 2.057 2.822
89 HA ALA 11 HA ALA 11 -3.594 3.984 4.683
90 HB1 ALA 11 3HB ALA 11 -5.722 2.907 4.182
91 HB2 ALA 11 1HB ALA 11 -4.901 1.739 3.146
92 HB3 ALA 11 2HB ALA 11 -4.931 3.445 2.701
93 H LYS 12 H LYS 12 -2.553 0.668 4.311
94 HA LYS 12 HA LYS 12 -3.715 -0.486 6.563
95 HB2 LYS 12 2HB LYS 12 -1.219 -1.043 5.003
96 HB3 LYS 12 1HB LYS 12 -1.537 -1.938 6.483
97 HG2 LYS 12 2HG LYS 12 -2.320 -3.244 4.660
98 HG3 LYS 12 1HG LYS 12 -3.733 -2.618 5.509
99 HD2 LYS 12 2HD LYS 12 -2.730 -0.936 3.313
100 HD3 LYS 12 1HD LYS 12 -3.396 -2.500 2.828
101 HE2 LYS 12 2HE LYS 12 -5.410 -1.945 4.227
102 HE3 LYS 12 1HE LYS 12 -4.753 -0.319 4.403
103 HZ1 LYS 12 3HZ LYS 12 -4.805 -0.093 1.987
104 HZ2 LYS 12 1HZ LYS 12 -6.348 -0.405 2.608
105 HZ3 LYS 12 2HZ LYS 12 -5.481 -1.637 1.842
Start of MODEL 5
1 HA MET 1 HA MET 1 -6.534 -1.663 0.223
2 H1 MET 1 1H MET 1 -6.462 -3.027 -2.403
3 H2 MET 1 2H MET 1 -7.292 -1.596 -2.053
4 H3 MET 1 3H MET 1 -7.756 -3.044 -1.311
5 HB2 MET 1 2HB MET 1 -5.149 -4.170 -0.727
6 HB3 MET 1 1HB MET 1 -4.688 -3.316 0.738
7 HG2 MET 1 2HG MET 1 -6.856 -3.694 1.698
8 HG3 MET 1 1HG MET 1 -7.426 -4.440 0.206
9 HE1 MET 1 3HE MET 1 -4.929 -6.195 -0.674
10 HE2 MET 1 1HE MET 1 -6.593 -6.780 -0.691
11 HE3 MET 1 2HE MET 1 -5.329 -7.737 0.083
12 H ASP 2 H ASP 2 -4.122 -1.293 0.868
13 HA ASP 2 HA ASP 2 -2.457 -0.499 -1.370
14 HB2 ASP 2 2HB ASP 2 -3.392 1.509 0.694
15 HB3 ASP 2 1HB ASP 2 -2.190 1.813 -0.557
16 H VAL 3 H VAL 3 -1.106 -2.130 -0.550
17 HA VAL 3 HA VAL 3 0.662 -1.202 1.555
18 HB VAL 3 HB VAL 3 -0.838 -2.440 2.919
19 HG11 VAL 3 1HG1 VAL 3 -0.671 -4.620 0.849
20 HG12 VAL 3 2HG1 VAL 3 -2.078 -3.633 1.252
21 HG13 VAL 3 3HG1 VAL 3 -1.445 -4.794 2.423
22 HG21 VAL 3 3HG2 VAL 3 1.495 -4.239 2.270
23 HG22 VAL 3 1HG2 VAL 3 0.534 -4.283 3.747
24 HG23 VAL 3 2HG2 VAL 3 1.522 -2.870 3.379
25 H PHE 4 H PHE 4 -0.052 -3.053 -1.219
26 HA PHE 4 HA PHE 4 2.163 -4.770 -1.371
27 HD1 PHE 4 2HD PHE 4 -0.698 -2.286 -3.496
28 HD2 PHE 4 1HD PHE 4 -0.484 -6.421 -2.520
29 HE1 PHE 4 2HE PHE 4 -3.142 -2.352 -3.272
30 HE2 PHE 4 1HE PHE 4 -2.934 -6.498 -2.296
31 HZ PHE 4 HZ PHE 4 -4.267 -4.459 -2.672
32 HB2 PHE 4 2HB PHE 4 1.306 -3.588 -3.934
33 HB3 PHE 4 1HB PHE 4 1.411 -5.277 -3.451
34 H MET 5 H MET 5 1.710 -1.596 -2.915
35 HA MET 5 HA MET 5 4.537 -1.381 -3.480
36 HB2 MET 5 2HB MET 5 2.106 0.262 -4.091
37 HB3 MET 5 1HB MET 5 3.704 0.985 -4.254
38 HG2 MET 5 2HG MET 5 2.728 -1.486 -5.667
39 HG3 MET 5 1HG MET 5 2.900 0.120 -6.374
40 HE1 MET 5 3HE MET 5 4.162 -2.486 -7.659
41 HE2 MET 5 1HE MET 5 5.785 -1.936 -8.079
42 HE3 MET 5 2HE MET 5 4.398 -0.885 -8.361
43 H LYS 6 H LYS 6 5.884 0.321 -2.723
44 HA LYS 6 HA LYS 6 5.409 0.955 0.057
45 HB2 LYS 6 2HB LYS 6 7.627 0.191 -0.779
46 HB3 LYS 6 1HB LYS 6 7.760 1.681 -1.700
47 HG2 LYS 6 2HG LYS 6 9.038 1.819 0.352
48 HG3 LYS 6 1HG LYS 6 7.705 2.973 0.373
49 HD2 LYS 6 2HD LYS 6 7.871 1.903 2.531
50 HD3 LYS 6 1HD LYS 6 6.391 1.371 1.730
51 HE2 LYS 6 2HE LYS 6 7.539 -0.497 2.808
52 HE3 LYS 6 1HE LYS 6 7.490 -0.700 1.057
53 HZ1 LYS 6 3HZ LYS 6 9.662 -1.257 1.931
54 HZ2 LYS 6 1HZ LYS 6 9.814 0.277 2.630
55 HZ3 LYS 6 2HZ LYS 6 9.771 0.114 0.947
56 H GLY 7 H GLY 7 4.837 2.452 -2.925
57 HA2 GLY 7 2HA GLY 7 4.212 4.962 -1.548
58 HA3 GLY 7 1HA GLY 7 5.296 5.038 -2.928
59 H LEU 8 H LEU 8 2.021 4.595 -1.866
60 HA LEU 8 HA LEU 8 1.066 5.279 -4.506
61 HG LEU 8 HG LEU 8 -0.906 2.917 -2.465
62 HB2 LEU 8 2HB LEU 8 -0.286 3.377 -4.889
63 HB3 LEU 8 1HB LEU 8 1.312 2.775 -4.499
64 HD11 LEU 8 1HD1 LEU 8 -1.264 0.539 -2.876
65 HD12 LEU 8 2HD1 LEU 8 -0.113 0.591 -4.209
66 HD13 LEU 8 3HD1 LEU 8 -1.622 1.496 -4.312
67 HD21 LEU 8 3HD2 LEU 8 1.514 1.139 -2.496
68 HD22 LEU 8 1HD2 LEU 8 0.449 1.525 -1.146
69 HD23 LEU 8 2HD2 LEU 8 1.543 2.750 -1.784
70 H SER 9 H SER 9 0.237 4.287 -1.209
71 HA SER 9 HA SER 9 -1.469 6.557 -0.858
72 HG SER 9 HG SER 9 -4.147 5.367 -2.395
73 HB2 SER 9 2HB SER 9 -2.731 3.811 -1.014
74 HB3 SER 9 1HB SER 9 -3.533 5.237 -0.357
75 H LYS 10 H LYS 10 -0.431 3.387 0.313
76 HA LYS 10 HA LYS 10 0.001 2.576 2.380
77 HB2 LYS 10 2HB LYS 10 0.647 5.427 3.119
78 HB3 LYS 10 1HB LYS 10 1.323 3.958 3.807
79 HG2 LYS 10 2HG LYS 10 1.845 5.160 1.109
80 HG3 LYS 10 1HG LYS 10 2.993 4.835 2.405
81 HD2 LYS 10 2HD LYS 10 1.579 2.814 0.676
82 HD3 LYS 10 1HD LYS 10 3.300 3.208 0.680
83 HE2 LYS 10 2HE LYS 10 3.353 2.439 3.077
84 HE3 LYS 10 1HE LYS 10 1.709 1.846 2.836
85 HZ1 LYS 10 3HZ LYS 10 3.322 0.086 2.519
86 HZ2 LYS 10 1HZ LYS 10 4.106 0.976 1.312
87 HZ3 LYS 10 2HZ LYS 10 2.529 0.417 1.063
88 H ALA 11 H ALA 11 -2.255 2.105 2.723
89 HA ALA 11 HA ALA 11 -3.617 3.938 4.574
90 HB1 ALA 11 3HB ALA 11 -4.764 1.668 2.953
91 HB2 ALA 11 1HB ALA 11 -4.863 3.380 2.545
92 HB3 ALA 11 2HB ALA 11 -5.674 2.769 3.987
93 H LYS 12 H LYS 12 -2.392 0.690 4.184
94 HA LYS 12 HA LYS 12 -3.574 -0.533 6.406
95 HB2 LYS 12 2HB LYS 12 -1.091 -1.023 4.812
96 HB3 LYS 12 1HB LYS 12 -1.332 -1.916 6.308
97 HG2 LYS 12 2HG LYS 12 -2.120 -3.254 4.500
98 HG3 LYS 12 1HG LYS 12 -3.520 -2.698 5.418
99 HD2 LYS 12 2HD LYS 12 -2.696 -0.964 3.184
100 HD3 LYS 12 1HD LYS 12 -3.318 -2.555 2.727
101 HE2 LYS 12 2HE LYS 12 -5.288 -2.102 4.207
102 HE3 LYS 12 1HE LYS 12 -4.690 -0.456 4.403
103 HZ1 LYS 12 3HZ LYS 12 -4.878 -0.134 2.021
104 HZ2 LYS 12 1HZ LYS 12 -6.370 -0.593 2.672
105 HZ3 LYS 12 2HZ LYS 12 -5.438 -1.718 1.821
Start of MODEL 6
1 HA MET 1 HA MET 1 -6.392 -1.516 0.111
2 H1 MET 1 1H MET 1 -6.085 -2.734 -2.572
3 H2 MET 1 2H MET 1 -7.006 -1.367 -2.191
4 H3 MET 1 3H MET 1 -7.450 -2.881 -1.583
5 HB2 MET 1 2HB MET 1 -4.519 -3.747 -0.648
6 HB3 MET 1 1HB MET 1 -4.958 -3.196 0.959
7 HG2 MET 1 2HG MET 1 -6.844 -4.545 -0.953
8 HG3 MET 1 1HG MET 1 -5.961 -5.360 0.334
9 HE1 MET 1 3HE MET 1 -6.399 -4.987 2.909
10 HE2 MET 1 1HE MET 1 -7.491 -3.759 3.548
11 HE3 MET 1 2HE MET 1 -6.026 -3.279 2.693
12 H ASP 2 H ASP 2 -3.882 -1.375 0.885
13 HA ASP 2 HA ASP 2 -2.192 -0.332 -1.224
14 HB2 ASP 2 2HB ASP 2 -3.069 1.440 1.071
15 HB3 ASP 2 1HB ASP 2 -1.897 1.864 -0.173
16 H VAL 3 H VAL 3 -1.142 -2.298 -0.404
17 HA VAL 3 HA VAL 3 0.717 -1.614 1.749
18 HB VAL 3 HB VAL 3 -0.794 -2.945 2.965
19 HG11 VAL 3 1HG1 VAL 3 -0.882 -4.762 0.566
20 HG12 VAL 3 2HG1 VAL 3 -2.190 -3.774 1.227
21 HG13 VAL 3 3HG1 VAL 3 -1.588 -5.164 2.132
22 HG21 VAL 3 3HG2 VAL 3 1.538 -3.642 3.260
23 HG22 VAL 3 1HG2 VAL 3 1.337 -4.845 1.984
24 HG23 VAL 3 2HG2 VAL 3 0.421 -4.989 3.485
25 H PHE 4 H PHE 4 -0.015 -3.090 -1.239
26 HA PHE 4 HA PHE 4 2.227 -4.796 -1.528
27 HD1 PHE 4 2HD PHE 4 -0.677 -2.213 -3.472
28 HD2 PHE 4 1HD PHE 4 -0.512 -6.396 -2.715
29 HE1 PHE 4 2HE PHE 4 -3.123 -2.261 -3.244
30 HE2 PHE 4 1HE PHE 4 -2.963 -6.456 -2.490
31 HZ PHE 4 HZ PHE 4 -4.272 -4.386 -2.755
32 HB2 PHE 4 2HB PHE 4 1.305 -3.537 -4.011
33 HB3 PHE 4 1HB PHE 4 1.391 -5.239 -3.581
34 H MET 5 H MET 5 1.635 -1.643 -3.066
35 HA MET 5 HA MET 5 4.436 -1.280 -3.615
36 HB2 MET 5 2HB MET 5 2.043 0.522 -4.003
37 HB3 MET 5 1HB MET 5 3.674 0.933 -4.516
38 HG2 MET 5 2HG MET 5 2.029 -1.391 -5.493
39 HG3 MET 5 1HG MET 5 2.357 0.102 -6.371
40 HE1 MET 5 3HE MET 5 4.418 -2.629 -8.317
41 HE2 MET 5 1HE MET 5 3.152 -1.407 -8.435
42 HE3 MET 5 2HE MET 5 2.875 -2.876 -7.499
43 H LYS 6 H LYS 6 5.825 0.197 -2.690
44 HA LYS 6 HA LYS 6 5.266 0.867 0.054
45 HB2 LYS 6 2HB LYS 6 7.489 0.043 -0.800
46 HB3 LYS 6 1HB LYS 6 7.697 1.604 -1.580
47 HG2 LYS 6 2HG LYS 6 8.899 1.545 0.514
48 HG3 LYS 6 1HG LYS 6 7.575 2.707 0.607
49 HD2 LYS 6 2HD LYS 6 7.689 1.412 2.655
50 HD3 LYS 6 1HD LYS 6 6.208 1.023 1.777
51 HE2 LYS 6 2HE LYS 6 7.326 -0.975 2.700
52 HE3 LYS 6 1HE LYS 6 7.186 -1.017 0.942
53 HZ1 LYS 6 3HZ LYS 6 9.490 -0.306 0.780
54 HZ2 LYS 6 1HZ LYS 6 9.370 -1.738 1.674
55 HZ3 LYS 6 2HZ LYS 6 9.624 -0.263 2.465
56 H GLY 7 H GLY 7 4.657 2.379 -2.865
57 HA2 GLY 7 2HA GLY 7 4.160 4.907 -1.491
58 HA3 GLY 7 1HA GLY 7 5.257 4.960 -2.863
59 H LEU 8 H LEU 8 1.953 4.454 -1.837
60 HA LEU 8 HA LEU 8 1.048 5.233 -4.486
61 HG LEU 8 HG LEU 8 -1.150 2.951 -2.538
62 HB2 LEU 8 2HB LEU 8 -0.374 3.392 -4.865
63 HB3 LEU 8 1HB LEU 8 1.185 2.717 -4.441
64 HD11 LEU 8 1HD1 LEU 8 -1.376 0.536 -2.819
65 HD12 LEU 8 2HD1 LEU 8 -0.110 0.558 -4.047
66 HD13 LEU 8 3HD1 LEU 8 -1.639 1.388 -4.340
67 HD21 LEU 8 3HD2 LEU 8 0.167 1.426 -1.139
68 HD22 LEU 8 1HD2 LEU 8 0.998 2.959 -1.401
69 HD23 LEU 8 2HD2 LEU 8 1.495 1.523 -2.293
70 H SER 9 H SER 9 0.133 4.296 -1.194
71 HA SER 9 HA SER 9 -1.428 6.661 -0.838
72 HG SER 9 HG SER 9 -4.191 5.486 -2.473
73 HB2 SER 9 2HB SER 9 -2.854 4.009 -1.114
74 HB3 SER 9 1HB SER 9 -3.579 5.430 -0.365
75 H LYS 10 H LYS 10 -0.509 3.451 0.265
76 HA LYS 10 HA LYS 10 -0.147 2.562 2.315
77 HB2 LYS 10 2HB LYS 10 0.561 5.376 3.134
78 HB3 LYS 10 1HB LYS 10 1.182 3.875 3.804
79 HG2 LYS 10 2HG LYS 10 1.784 5.111 1.137
80 HG3 LYS 10 1HG LYS 10 2.898 4.740 2.448
81 HD2 LYS 10 2HD LYS 10 1.477 2.785 0.656
82 HD3 LYS 10 1HD LYS 10 3.206 3.130 0.712
83 HE2 LYS 10 2HE LYS 10 3.162 2.318 3.103
84 HE3 LYS 10 1HE LYS 10 1.517 1.760 2.786
85 HZ1 LYS 10 3HZ LYS 10 3.962 0.880 1.344
86 HZ2 LYS 10 1HZ LYS 10 2.387 0.362 1.005
87 HZ3 LYS 10 2HZ LYS 10 3.104 -0.025 2.487
88 H ALA 11 H ALA 11 -2.362 2.081 2.695
89 HA ALA 11 HA ALA 11 -3.754 3.921 4.519
90 HB1 ALA 11 3HB ALA 11 -4.976 3.316 2.479
91 HB2 ALA 11 1HB ALA 11 -5.797 2.739 3.930
92 HB3 ALA 11 2HB ALA 11 -4.875 1.615 2.931
93 H LYS 12 H LYS 12 -2.244 0.840 4.274
94 HA LYS 12 HA LYS 12 -3.497 -0.446 6.466
95 HB2 LYS 12 2HB LYS 12 -0.973 -0.882 4.915
96 HB3 LYS 12 1HB LYS 12 -1.233 -1.775 6.406
97 HG2 LYS 12 2HG LYS 12 -1.943 -3.143 4.595
98 HG3 LYS 12 1HG LYS 12 -3.385 -2.600 5.454
99 HD2 LYS 12 2HD LYS 12 -2.496 -0.895 3.216
100 HD3 LYS 12 1HD LYS 12 -3.110 -2.494 2.777
101 HE2 LYS 12 2HE LYS 12 -5.117 -2.003 4.194
102 HE3 LYS 12 1HE LYS 12 -4.520 -0.355 4.366
103 HZ1 LYS 12 3HZ LYS 12 -5.209 -1.678 1.797
104 HZ2 LYS 12 1HZ LYS 12 -4.641 -0.093 1.968
105 HZ3 LYS 12 2HZ LYS 12 -6.152 -0.522 2.594
Start of MODEL 7
1 HA MET 1 HA MET 1 -6.744 -1.823 0.231
2 H1 MET 1 1H MET 1 -7.642 -1.899 -1.967
3 H2 MET 1 2H MET 1 -8.082 -3.302 -1.129
4 H3 MET 1 3H MET 1 -6.854 -3.361 -2.290
5 HB2 MET 1 2HB MET 1 -4.759 -3.684 0.388
6 HB3 MET 1 1HB MET 1 -6.339 -3.841 1.143
7 HG2 MET 1 2HG MET 1 -7.118 -5.017 -0.893
8 HG3 MET 1 1HG MET 1 -5.464 -4.969 -1.496
9 HE1 MET 1 3HE MET 1 -6.623 -5.471 2.229
10 HE2 MET 1 1HE MET 1 -6.714 -7.229 2.332
11 HE3 MET 1 2HE MET 1 -7.848 -6.345 1.312
12 H ASP 2 H ASP 2 -4.474 -1.184 0.732
13 HA ASP 2 HA ASP 2 -2.739 -0.850 -1.585
14 HB2 ASP 2 2HB ASP 2 -3.779 1.497 0.020
15 HB3 ASP 2 1HB ASP 2 -2.522 1.583 -1.210
16 H VAL 3 H VAL 3 -1.088 -1.967 -0.700
17 HA VAL 3 HA VAL 3 0.426 -0.694 1.390
18 HB VAL 3 HB VAL 3 -0.994 -1.920 2.844
19 HG11 VAL 3 1HG1 VAL 3 -0.525 -4.286 1.042
20 HG12 VAL 3 2HG1 VAL 3 -2.042 -3.420 1.307
21 HG13 VAL 3 3HG1 VAL 3 -1.327 -4.372 2.611
22 HG21 VAL 3 3HG2 VAL 3 1.367 -2.043 3.437
23 HG22 VAL 3 1HG2 VAL 3 1.542 -3.513 2.479
24 HG23 VAL 3 2HG2 VAL 3 0.522 -3.514 3.918
25 H PHE 4 H PHE 4 0.011 -2.972 -1.127
26 HA PHE 4 HA PHE 4 2.361 -4.460 -1.043
27 HD1 PHE 4 2HD PHE 4 -0.521 -2.354 -3.442
28 HD2 PHE 4 1HD PHE 4 -0.127 -6.429 -2.281
29 HE1 PHE 4 2HE PHE 4 -2.966 -2.561 -3.360
30 HE2 PHE 4 1HE PHE 4 -2.577 -6.647 -2.203
31 HZ PHE 4 HZ PHE 4 -4.001 -4.711 -2.744
32 HB2 PHE 4 2HB PHE 4 1.580 -3.595 -3.747
33 HB3 PHE 4 1HB PHE 4 1.755 -5.218 -3.092
34 H MET 5 H MET 5 1.823 -1.637 -3.143
35 HA MET 5 HA MET 5 4.564 -1.241 -3.689
36 HB2 MET 5 2HB MET 5 2.099 0.440 -4.043
37 HB3 MET 5 1HB MET 5 3.692 1.084 -4.423
38 HG2 MET 5 2HG MET 5 2.444 -1.368 -5.641
39 HG3 MET 5 1HG MET 5 2.573 0.217 -6.401
40 HE1 MET 5 3HE MET 5 3.716 -0.835 -8.527
41 HE2 MET 5 1HE MET 5 3.603 -2.447 -7.819
42 HE3 MET 5 2HE MET 5 5.139 -1.876 -8.471
43 H LYS 6 H LYS 6 6.069 0.109 -2.816
44 HA LYS 6 HA LYS 6 5.761 0.827 -0.078
45 HB2 LYS 6 2HB LYS 6 7.909 0.095 -1.103
46 HB3 LYS 6 1HB LYS 6 7.963 1.605 -2.000
47 HG2 LYS 6 2HG LYS 6 9.404 1.702 -0.053
48 HG3 LYS 6 1HG LYS 6 8.077 2.853 0.097
49 HD2 LYS 6 2HD LYS 6 8.418 1.738 2.213
50 HD3 LYS 6 1HD LYS 6 6.877 1.226 1.525
51 HE2 LYS 6 2HE LYS 6 7.874 -0.841 0.749
52 HE3 LYS 6 1HE LYS 6 9.458 -0.322 1.328
53 HZ1 LYS 6 3HZ LYS 6 8.420 -1.848 2.876
54 HZ2 LYS 6 1HZ LYS 6 7.075 -0.832 3.025
55 HZ3 LYS 6 2HZ LYS 6 8.587 -0.321 3.584
56 H GLY 7 H GLY 7 4.797 2.347 -2.894
57 HA2 GLY 7 2HA GLY 7 4.217 4.790 -1.441
58 HA3 GLY 7 1HA GLY 7 5.317 4.981 -2.797
59 H LEU 8 H LEU 8 2.047 4.516 -1.809
60 HA LEU 8 HA LEU 8 1.120 5.256 -4.438
61 HG LEU 8 HG LEU 8 -0.977 2.851 -2.600
62 HB2 LEU 8 2HB LEU 8 -0.172 3.365 -4.942
63 HB3 LEU 8 1HB LEU 8 1.391 2.734 -4.464
64 HD11 LEU 8 1HD1 LEU 8 -1.303 0.493 -3.056
65 HD12 LEU 8 2HD1 LEU 8 0.006 0.518 -4.237
66 HD13 LEU 8 3HD1 LEU 8 -1.475 1.429 -4.541
67 HD21 LEU 8 3HD2 LEU 8 1.445 1.091 -2.417
68 HD22 LEU 8 1HD2 LEU 8 0.279 1.501 -1.162
69 HD23 LEU 8 2HD2 LEU 8 1.425 2.714 -1.731
70 H SER 9 H SER 9 0.277 4.181 -1.173
71 HA SER 9 HA SER 9 -1.495 6.414 -0.831
72 HG SER 9 HG SER 9 -4.043 4.626 -2.453
73 HB2 SER 9 2HB SER 9 -2.641 3.614 -0.904
74 HB3 SER 9 1HB SER 9 -3.497 5.025 -0.285
75 H LYS 10 H LYS 10 -0.369 3.291 0.397
76 HA LYS 10 HA LYS 10 0.094 2.545 2.497
77 HB2 LYS 10 2HB LYS 10 0.878 5.448 2.737
78 HB3 LYS 10 1HB LYS 10 1.222 4.251 3.979
79 HG2 LYS 10 2HG LYS 10 2.147 4.017 1.126
80 HG3 LYS 10 1HG LYS 10 3.113 4.722 2.425
81 HD2 LYS 10 2HD LYS 10 3.448 2.704 3.457
82 HD3 LYS 10 1HD LYS 10 1.940 2.018 2.844
83 HE2 LYS 10 2HE LYS 10 2.907 1.826 0.626
84 HE3 LYS 10 1HE LYS 10 4.402 2.571 1.193
85 HZ1 LYS 10 3HZ LYS 10 3.298 0.004 2.200
86 HZ2 LYS 10 1HZ LYS 10 4.772 0.705 2.650
87 HZ3 LYS 10 2HZ LYS 10 4.547 0.141 1.070
88 H ALA 11 H ALA 11 -2.242 2.187 2.772
89 HA ALA 11 HA ALA 11 -3.480 4.027 4.706
90 HB1 ALA 11 3HB ALA 11 -4.777 3.607 2.673
91 HB2 ALA 11 1HB ALA 11 -5.604 2.989 4.104
92 HB3 ALA 11 2HB ALA 11 -4.765 1.878 3.023
93 H LYS 12 H LYS 12 -2.388 0.753 4.210
94 HA LYS 12 HA LYS 12 -3.625 -0.511 6.379
95 HB2 LYS 12 2HB LYS 12 -1.190 -1.033 4.740
96 HB3 LYS 12 1HB LYS 12 -1.384 -1.932 6.237
97 HG2 LYS 12 2HG LYS 12 -2.252 -3.245 4.443
98 HG3 LYS 12 1HG LYS 12 -3.606 -2.694 5.430
99 HD2 LYS 12 2HD LYS 12 -2.897 -0.915 3.203
100 HD3 LYS 12 1HD LYS 12 -3.494 -2.507 2.723
101 HE2 LYS 12 2HE LYS 12 -5.419 -2.128 4.303
102 HE3 LYS 12 1HE LYS 12 -4.863 -0.462 4.461
103 HZ1 LYS 12 3HZ LYS 12 -6.586 -0.609 2.805
104 HZ2 LYS 12 1HZ LYS 12 -5.726 -1.789 1.948
105 HZ3 LYS 12 2HZ LYS 12 -5.124 -0.212 2.053
Start of MODEL 8
1 HA MET 1 HA MET 1 -6.670 -1.796 -0.104
2 H1 MET 1 1H MET 1 -7.058 -1.886 -2.491
3 H2 MET 1 2H MET 1 -7.602 -3.287 -1.717
4 H3 MET 1 3H MET 1 -6.157 -3.313 -2.597
5 HB2 MET 1 2HB MET 1 -4.670 -4.008 -0.544
6 HB3 MET 1 1HB MET 1 -5.181 -3.302 0.976
7 HG2 MET 1 2HG MET 1 -6.162 -5.419 0.841
8 HG3 MET 1 1HG MET 1 -7.453 -4.260 0.542
9 HE1 MET 1 3HE MET 1 -8.545 -7.252 -1.708
10 HE2 MET 1 1HE MET 1 -9.052 -6.089 -0.483
11 HE3 MET 1 2HE MET 1 -7.833 -7.303 -0.094
12 H ASP 2 H ASP 2 -4.214 -1.467 0.800
13 HA ASP 2 HA ASP 2 -2.455 -0.535 -1.303
14 HB2 ASP 2 2HB ASP 2 -3.605 1.378 0.743
15 HB3 ASP 2 1HB ASP 2 -2.311 1.762 -0.387
16 H VAL 3 H VAL 3 -1.031 -2.067 -0.497
17 HA VAL 3 HA VAL 3 0.593 -1.157 1.704
18 HB VAL 3 HB VAL 3 -0.977 -2.414 2.998
19 HG11 VAL 3 1HG1 VAL 3 -0.624 -4.537 0.902
20 HG12 VAL 3 2HG1 VAL 3 -2.110 -3.735 1.420
21 HG13 VAL 3 3HG1 VAL 3 -1.305 -4.883 2.492
22 HG21 VAL 3 3HG2 VAL 3 1.402 -2.704 3.567
23 HG22 VAL 3 1HG2 VAL 3 1.450 -4.150 2.556
24 HG23 VAL 3 2HG2 VAL 3 0.431 -4.113 3.994
25 H PHE 4 H PHE 4 -0.027 -3.074 -1.054
26 HA PHE 4 HA PHE 4 2.277 -4.705 -1.100
27 HD1 PHE 4 2HD PHE 4 -0.676 -2.469 -3.352
28 HD2 PHE 4 1HD PHE 4 -0.357 -6.546 -2.172
29 HE1 PHE 4 2HE PHE 4 -3.121 -2.596 -3.147
30 HE2 PHE 4 1HE PHE 4 -2.807 -6.682 -1.968
31 HZ PHE 4 HZ PHE 4 -4.192 -4.703 -2.457
32 HB2 PHE 4 2HB PHE 4 1.366 -3.765 -3.732
33 HB3 PHE 4 1HB PHE 4 1.515 -5.405 -3.115
34 H MET 5 H MET 5 1.614 -1.716 -2.909
35 HA MET 5 HA MET 5 4.373 -1.342 -3.583
36 HB2 MET 5 2HB MET 5 1.926 0.394 -3.905
37 HB3 MET 5 1HB MET 5 3.524 0.877 -4.459
38 HG2 MET 5 2HG MET 5 1.952 -1.515 -5.392
39 HG3 MET 5 1HG MET 5 2.222 -0.020 -6.285
40 HE1 MET 5 3HE MET 5 4.604 0.774 -7.136
41 HE2 MET 5 1HE MET 5 6.084 -0.165 -6.944
42 HE3 MET 5 2HE MET 5 5.311 0.561 -5.535
43 H LYS 6 H LYS 6 5.751 0.314 -2.873
44 HA LYS 6 HA LYS 6 5.336 1.056 -0.100
45 HB2 LYS 6 2HB LYS 6 7.506 0.143 -0.874
46 HB3 LYS 6 1HB LYS 6 7.711 1.550 -1.904
47 HG2 LYS 6 2HG LYS 6 9.010 1.741 0.147
48 HG3 LYS 6 1HG LYS 6 7.776 2.997 0.046
49 HD2 LYS 6 2HD LYS 6 7.853 2.105 2.295
50 HD3 LYS 6 1HD LYS 6 6.329 1.654 1.530
51 HE2 LYS 6 2HE LYS 6 7.295 -0.214 2.778
52 HE3 LYS 6 1HE LYS 6 7.207 -0.566 1.052
53 HZ1 LYS 6 3HZ LYS 6 9.552 -0.028 0.857
54 HZ2 LYS 6 1HZ LYS 6 9.320 -1.255 1.998
55 HZ3 LYS 6 2HZ LYS 6 9.639 0.326 2.509
56 H GLY 7 H GLY 7 4.785 2.436 -3.129
57 HA2 GLY 7 2HA GLY 7 4.411 5.061 -1.863
58 HA3 GLY 7 1HA GLY 7 5.346 4.962 -3.348
59 H LEU 8 H LEU 8 2.154 4.483 -1.932
60 HA LEU 8 HA LEU 8 0.976 5.178 -4.504
61 HG LEU 8 HG LEU 8 -0.976 3.023 -2.193
62 HB2 LEU 8 2HB LEU 8 -0.492 3.336 -4.627
63 HB3 LEU 8 1HB LEU 8 1.105 2.672 -4.354
64 HD11 LEU 8 1HD1 LEU 8 -1.342 0.640 -2.346
65 HD12 LEU 8 2HD1 LEU 8 -0.168 0.514 -3.655
66 HD13 LEU 8 3HD1 LEU 8 -1.676 1.395 -3.904
67 HD21 LEU 8 3HD2 LEU 8 0.506 1.461 -0.956
68 HD22 LEU 8 1HD2 LEU 8 1.248 3.027 -1.286
69 HD23 LEU 8 2HD2 LEU 8 1.690 1.620 -2.253
70 H SER 9 H SER 9 0.454 4.484 -1.069
71 HA SER 9 HA SER 9 -0.923 6.868 -0.565
72 HG SER 9 HG SER 9 -1.996 3.648 -0.957
73 HB2 SER 9 2HB SER 9 -3.218 6.005 -0.202
74 HB3 SER 9 1HB SER 9 -2.731 5.913 -1.894
75 H LYS 10 H LYS 10 -0.381 3.508 0.325
76 HA LYS 10 HA LYS 10 -0.093 2.465 2.315
77 HB2 LYS 10 2HB LYS 10 0.786 5.158 3.352
78 HB3 LYS 10 1HB LYS 10 1.293 3.571 3.915
79 HG2 LYS 10 2HG LYS 10 2.039 4.971 1.368
80 HG3 LYS 10 1HG LYS 10 3.095 4.406 2.658
81 HD2 LYS 10 2HD LYS 10 1.566 2.721 0.688
82 HD3 LYS 10 1HD LYS 10 3.315 2.936 0.784
83 HE2 LYS 10 2HE LYS 10 1.511 1.521 2.727
84 HE3 LYS 10 1HE LYS 10 2.796 0.820 1.745
85 HZ1 LYS 10 3HZ LYS 10 3.513 1.095 4.023
86 HZ2 LYS 10 1HZ LYS 10 3.166 2.751 3.972
87 HZ3 LYS 10 2HZ LYS 10 4.407 2.116 3.015
88 H ALA 11 H ALA 11 -2.270 2.030 2.739
89 HA ALA 11 HA ALA 11 -3.651 3.904 4.536
90 HB1 ALA 11 3HB ALA 11 -5.708 2.764 3.921
91 HB2 ALA 11 1HB ALA 11 -4.798 1.609 2.947
92 HB3 ALA 11 2HB ALA 11 -4.852 3.308 2.479
93 H LYS 12 H LYS 12 -2.456 0.633 4.228
94 HA LYS 12 HA LYS 12 -3.695 -0.549 6.434
95 HB2 LYS 12 2HB LYS 12 -1.201 -1.066 4.887
96 HB3 LYS 12 1HB LYS 12 -1.394 -1.887 6.430
97 HG2 LYS 12 2HG LYS 12 -2.173 -3.338 4.708
98 HG3 LYS 12 1HG LYS 12 -3.573 -2.771 5.617
99 HD2 LYS 12 2HD LYS 12 -2.833 -1.138 3.282
100 HD3 LYS 12 1HD LYS 12 -3.406 -2.767 2.917
101 HE2 LYS 12 2HE LYS 12 -5.368 -2.284 4.419
102 HE3 LYS 12 1HE LYS 12 -4.831 -0.606 4.457
103 HZ1 LYS 12 3HZ LYS 12 -6.513 -0.908 2.776
104 HZ2 LYS 12 1HZ LYS 12 -5.617 -2.138 2.037
105 HZ3 LYS 12 2HZ LYS 12 -5.038 -0.548 2.032
Start of MODEL 9
1 HA MET 1 HA MET 1 -6.439 -1.421 0.028
2 H1 MET 1 1H MET 1 -7.525 -2.852 -1.566
3 H2 MET 1 2H MET 1 -6.149 -2.848 -2.550
4 H3 MET 1 3H MET 1 -7.015 -1.415 -2.300
5 HB2 MET 1 2HB MET 1 -4.999 -3.955 -0.747
6 HB3 MET 1 1HB MET 1 -4.615 -3.054 0.713
7 HG2 MET 1 2HG MET 1 -6.829 -3.389 1.564
8 HG3 MET 1 1HG MET 1 -7.329 -4.170 0.065
9 HE1 MET 1 3HE MET 1 -8.280 -6.185 1.561
10 HE2 MET 1 1HE MET 1 -7.702 -5.397 3.029
11 HE3 MET 1 2HE MET 1 -7.298 -7.084 2.717
12 H ASP 2 H ASP 2 -4.024 -1.113 0.838
13 HA ASP 2 HA ASP 2 -2.231 -0.306 -1.290
14 HB2 ASP 2 2HB ASP 2 -3.306 1.702 0.707
15 HB3 ASP 2 1HB ASP 2 -2.011 2.007 -0.449
16 H VAL 3 H VAL 3 -0.967 -1.960 -0.368
17 HA VAL 3 HA VAL 3 0.691 -1.040 1.828
18 HB VAL 3 HB VAL 3 -0.903 -2.243 3.115
19 HG11 VAL 3 1HG1 VAL 3 -0.643 -4.490 1.122
20 HG12 VAL 3 2HG1 VAL 3 -2.029 -3.412 1.310
21 HG13 VAL 3 3HG1 VAL 3 -1.602 -4.535 2.603
22 HG21 VAL 3 3HG2 VAL 3 0.382 -4.115 4.018
23 HG22 VAL 3 1HG2 VAL 3 1.417 -2.722 3.707
24 HG23 VAL 3 2HG2 VAL 3 1.425 -4.091 2.597
25 H PHE 4 H PHE 4 0.073 -2.949 -0.935
26 HA PHE 4 HA PHE 4 2.387 -4.596 -0.913
27 HD1 PHE 4 2HD PHE 4 -0.203 -2.187 -3.265
28 HD2 PHE 4 1HD PHE 4 -0.670 -6.264 -2.126
29 HE1 PHE 4 2HE PHE 4 -2.647 -1.901 -3.234
30 HE2 PHE 4 1HE PHE 4 -3.113 -5.983 -2.099
31 HZ PHE 4 HZ PHE 4 -4.106 -3.797 -2.653
32 HB2 PHE 4 2HB PHE 4 1.598 -3.961 -3.607
33 HB3 PHE 4 1HB PHE 4 1.431 -5.480 -2.738
34 H MET 5 H MET 5 1.690 -1.845 -3.061
35 HA MET 5 HA MET 5 4.405 -1.446 -3.756
36 HB2 MET 5 2HB MET 5 2.579 -0.752 -5.217
37 HB3 MET 5 1HB MET 5 2.017 0.394 -4.011
38 HG2 MET 5 2HG MET 5 3.254 1.447 -5.850
39 HG3 MET 5 1HG MET 5 3.988 1.721 -4.274
40 HE1 MET 5 3HE MET 5 7.103 1.573 -6.641
41 HE2 MET 5 1HE MET 5 6.287 2.489 -5.373
42 HE3 MET 5 2HE MET 5 5.528 2.300 -6.954
43 H LYS 6 H LYS 6 5.911 0.013 -3.015
44 HA LYS 6 HA LYS 6 5.688 0.787 -0.279
45 HB2 LYS 6 2HB LYS 6 7.823 1.604 -2.247
46 HB3 LYS 6 1HB LYS 6 7.945 1.594 -0.495
47 HG2 LYS 6 2HG LYS 6 7.649 -0.828 -2.262
48 HG3 LYS 6 1HG LYS 6 9.130 -0.288 -1.469
49 HD2 LYS 6 2HD LYS 6 6.602 -1.097 -0.033
50 HD3 LYS 6 1HD LYS 6 8.002 -2.143 -0.275
51 HE2 LYS 6 2HE LYS 6 9.391 -0.550 0.974
52 HE3 LYS 6 1HE LYS 6 7.979 0.472 1.229
53 HZ1 LYS 6 3HZ LYS 6 6.942 -1.333 2.457
54 HZ2 LYS 6 1HZ LYS 6 8.425 -0.910 3.154
55 HZ3 LYS 6 2HZ LYS 6 8.300 -2.312 2.213
56 H GLY 7 H GLY 7 4.708 2.301 -3.137
57 HA2 GLY 7 2HA GLY 7 4.191 4.761 -1.662
58 HA3 GLY 7 1HA GLY 7 5.206 4.914 -3.087
59 H LEU 8 H LEU 8 2.028 4.732 -1.893
60 HA LEU 8 HA LEU 8 0.953 5.364 -4.470
61 HG LEU 8 HG LEU 8 -1.008 2.932 -2.398
62 HB2 LEU 8 2HB LEU 8 -0.518 3.517 -4.760
63 HB3 LEU 8 1HB LEU 8 1.101 2.882 -4.560
64 HD11 LEU 8 1HD1 LEU 8 -1.148 0.520 -2.760
65 HD12 LEU 8 2HD1 LEU 8 -0.032 0.658 -4.118
66 HD13 LEU 8 3HD1 LEU 8 -1.621 1.419 -4.201
67 HD21 LEU 8 3HD2 LEU 8 0.577 1.303 -1.318
68 HD22 LEU 8 1HD2 LEU 8 1.136 2.974 -1.383
69 HD23 LEU 8 2HD2 LEU 8 1.772 1.789 -2.518
70 H SER 9 H SER 9 0.144 4.280 -1.179
71 HA SER 9 HA SER 9 -1.371 6.647 -0.666
72 HG SER 9 HG SER 9 -4.160 5.702 -2.280
73 HB2 SER 9 2HB SER 9 -2.859 4.033 -0.994
74 HB3 SER 9 1HB SER 9 -3.537 5.470 -0.233
75 H LYS 10 H LYS 10 -0.618 3.324 0.285
76 HA LYS 10 HA LYS 10 -0.243 2.346 2.291
77 HB2 LYS 10 2HB LYS 10 0.650 5.081 3.197
78 HB3 LYS 10 1HB LYS 10 1.194 3.521 3.798
79 HG2 LYS 10 2HG LYS 10 1.827 4.836 1.177
80 HG3 LYS 10 1HG LYS 10 2.937 4.315 2.442
81 HD2 LYS 10 2HD LYS 10 1.339 2.560 0.588
82 HD3 LYS 10 1HD LYS 10 3.088 2.789 0.605
83 HE2 LYS 10 2HE LYS 10 3.086 1.841 2.931
84 HE3 LYS 10 1HE LYS 10 1.383 1.446 2.687
85 HZ1 LYS 10 3HZ LYS 10 3.644 0.438 1.043
86 HZ2 LYS 10 1HZ LYS 10 2.011 0.062 0.808
87 HZ3 LYS 10 2HZ LYS 10 2.804 -0.447 2.213
88 H ALA 11 H ALA 11 -2.475 1.984 2.707
89 HA ALA 11 HA ALA 11 -3.719 3.838 4.620
90 HB1 ALA 11 3HB ALA 11 -5.000 1.640 3.000
91 HB2 ALA 11 1HB ALA 11 -5.020 3.357 2.598
92 HB3 ALA 11 2HB ALA 11 -5.835 2.782 4.052
93 H LYS 12 H LYS 12 -2.501 0.612 4.225
94 HA LYS 12 HA LYS 12 -3.760 -0.606 6.438
95 HB2 LYS 12 2HB LYS 12 -1.286 -1.214 4.852
96 HB3 LYS 12 1HB LYS 12 -1.658 -2.138 6.300
97 HG2 LYS 12 2HG LYS 12 -2.473 -3.345 4.415
98 HG3 LYS 12 1HG LYS 12 -3.863 -2.706 5.294
99 HD2 LYS 12 2HD LYS 12 -2.803 -0.979 3.154
100 HD3 LYS 12 1HD LYS 12 -3.540 -2.493 2.621
101 HE2 LYS 12 2HE LYS 12 -5.520 -1.909 4.048
102 HE3 LYS 12 1HE LYS 12 -4.792 -0.325 4.296
103 HZ1 LYS 12 3HZ LYS 12 -6.382 -0.226 2.514
104 HZ2 LYS 12 1HZ LYS 12 -5.611 -1.485 1.689
105 HZ3 LYS 12 2HZ LYS 12 -4.830 0.003 1.882
Start of MODEL 10
1 HA MET 1 HA MET 1 -6.342 -2.349 0.803
2 H1 MET 1 1H MET 1 -7.229 -1.657 -1.296
3 H2 MET 1 2H MET 1 -7.311 -3.343 -1.189
4 H3 MET 1 3H MET 1 -6.118 -2.613 -2.140
5 HB2 MET 1 2HB MET 1 -4.332 -3.921 -0.819
6 HB3 MET 1 1HB MET 1 -4.407 -3.813 0.935
7 HG2 MET 1 2HG MET 1 -6.647 -4.900 0.827
8 HG3 MET 1 1HG MET 1 -6.382 -5.136 -0.900
9 HE1 MET 1 3HE MET 1 -5.931 -8.759 0.500
10 HE2 MET 1 1HE MET 1 -6.739 -7.757 -0.706
11 HE3 MET 1 2HE MET 1 -7.095 -7.534 1.007
12 H ASP 2 H ASP 2 -4.107 -2.077 -1.962
13 HA ASP 2 HA ASP 2 -2.472 -0.590 -2.460
14 HB2 ASP 2 2HB ASP 2 -4.240 1.271 -0.855
15 HB3 ASP 2 1HB ASP 2 -2.904 1.789 -1.877
16 H VAL 3 H VAL 3 -1.244 -2.030 -0.986
17 HA VAL 3 HA VAL 3 0.167 -0.410 0.975
18 HB VAL 3 HB VAL 3 -1.371 -1.424 2.455
19 HG11 VAL 3 1HG1 VAL 3 -0.950 -3.917 0.839
20 HG12 VAL 3 2HG1 VAL 3 -2.452 -3.043 1.159
21 HG13 VAL 3 3HG1 VAL 3 -1.666 -3.955 2.450
22 HG21 VAL 3 3HG2 VAL 3 -0.020 -2.924 3.820
23 HG22 VAL 3 1HG2 VAL 3 0.948 -1.579 3.218
24 HG23 VAL 3 2HG2 VAL 3 1.090 -3.171 2.472
25 H PHE 4 H PHE 4 -0.050 -2.876 -1.324
26 HA PHE 4 HA PHE 4 2.243 -4.410 -0.875
27 HD1 PHE 4 2HD PHE 4 -0.455 -2.511 -3.587
28 HD2 PHE 4 1HD PHE 4 -0.134 -6.517 -2.176
29 HE1 PHE 4 2HE PHE 4 -2.899 -2.721 -3.640
30 HE2 PHE 4 1HE PHE 4 -2.585 -6.736 -2.234
31 HZ PHE 4 HZ PHE 4 -3.972 -4.836 -2.968
32 HB2 PHE 4 2HB PHE 4 1.670 -3.797 -3.707
33 HB3 PHE 4 1HB PHE 4 1.794 -5.354 -2.896
34 H MET 5 H MET 5 1.865 -1.680 -3.125
35 HA MET 5 HA MET 5 4.626 -1.375 -3.630
36 HB2 MET 5 2HB MET 5 2.185 0.295 -4.096
37 HB3 MET 5 1HB MET 5 3.774 1.007 -4.347
38 HG2 MET 5 2HG MET 5 2.689 -1.446 -5.712
39 HG3 MET 5 1HG MET 5 2.847 0.160 -6.422
40 HE1 MET 5 3HE MET 5 6.768 0.594 -6.426
41 HE2 MET 5 1HE MET 5 5.651 1.064 -5.145
42 HE3 MET 5 2HE MET 5 5.228 1.354 -6.832
43 H LYS 6 H LYS 6 6.113 0.112 -2.841
44 HA LYS 6 HA LYS 6 5.835 0.771 -0.078
45 HB2 LYS 6 2HB LYS 6 7.983 1.596 -2.042
46 HB3 LYS 6 1HB LYS 6 8.085 1.723 -0.291
47 HG2 LYS 6 2HG LYS 6 7.853 -0.836 -1.864
48 HG3 LYS 6 1HG LYS 6 9.322 -0.201 -1.124
49 HD2 LYS 6 2HD LYS 6 6.814 -0.994 0.358
50 HD3 LYS 6 1HD LYS 6 8.284 -1.963 0.240
51 HE2 LYS 6 2HE LYS 6 8.001 0.743 1.543
52 HE3 LYS 6 1HE LYS 6 8.239 -0.800 2.360
53 HZ1 LYS 6 3HZ LYS 6 10.403 -0.984 1.293
54 HZ2 LYS 6 1HZ LYS 6 10.302 0.435 2.208
55 HZ3 LYS 6 2HZ LYS 6 10.174 0.506 0.523
56 H GLY 7 H GLY 7 4.644 2.262 -2.772
57 HA2 GLY 7 2HA GLY 7 4.041 4.665 -1.316
58 HA3 GLY 7 1HA GLY 7 5.172 4.936 -2.631
59 H LEU 8 H LEU 8 1.898 4.398 -1.746
60 HA LEU 8 HA LEU 8 1.011 5.199 -4.359
61 HG LEU 8 HG LEU 8 -1.045 2.546 -2.746
62 HB2 LEU 8 2HB LEU 8 -0.232 3.289 -4.965
63 HB3 LEU 8 1HB LEU 8 1.371 2.713 -4.554
64 HD11 LEU 8 1HD1 LEU 8 -1.075 0.194 -3.247
65 HD12 LEU 8 2HD1 LEU 8 0.338 0.355 -4.288
66 HD13 LEU 8 3HD1 LEU 8 -1.190 1.104 -4.752
67 HD21 LEU 8 3HD2 LEU 8 0.405 1.012 -1.439
68 HD22 LEU 8 1HD2 LEU 8 0.974 2.681 -1.450
69 HD23 LEU 8 2HD2 LEU 8 1.760 1.478 -2.468
70 H SER 9 H SER 9 0.257 4.096 -1.114
71 HA SER 9 HA SER 9 -1.717 6.159 -0.799
72 HG SER 9 HG SER 9 -2.663 4.078 -2.817
73 HB2 SER 9 2HB SER 9 -2.595 3.260 -0.738
74 HB3 SER 9 1HB SER 9 -3.572 4.621 -0.188
75 H LYS 10 H LYS 10 -0.496 3.092 0.522
76 HA LYS 10 HA LYS 10 0.048 2.439 2.621
77 HB2 LYS 10 2HB LYS 10 0.794 5.319 3.098
78 HB3 LYS 10 1HB LYS 10 1.504 3.884 3.824
79 HG2 LYS 10 2HG LYS 10 1.835 4.923 1.031
80 HG3 LYS 10 1HG LYS 10 3.073 4.620 2.245
81 HD2 LYS 10 2HD LYS 10 1.457 2.559 0.756
82 HD3 LYS 10 1HD LYS 10 3.174 2.913 0.560
83 HE2 LYS 10 2HE LYS 10 3.497 2.240 2.947
84 HE3 LYS 10 1HE LYS 10 1.809 1.725 2.962
85 HZ1 LYS 10 3HZ LYS 10 3.308 -0.125 2.538
86 HZ2 LYS 10 1HZ LYS 10 3.917 0.654 1.165
87 HZ3 LYS 10 2HZ LYS 10 2.303 0.151 1.206
88 H ALA 11 H ALA 11 -2.369 2.248 2.887
89 HA ALA 11 HA ALA 11 -3.409 4.139 4.882
90 HB1 ALA 11 3HB ALA 11 -4.897 2.111 3.218
91 HB2 ALA 11 1HB ALA 11 -4.788 3.840 2.885
92 HB3 ALA 11 2HB ALA 11 -5.620 3.272 4.332
93 H LYS 12 H LYS 12 -2.341 0.907 4.417
94 HA LYS 12 HA LYS 12 -3.683 -0.392 6.516
95 HB2 LYS 12 2HB LYS 12 -1.192 -0.897 4.958
96 HB3 LYS 12 1HB LYS 12 -1.439 -1.812 6.438
97 HG2 LYS 12 2HG LYS 12 -2.213 -3.034 4.475
98 HG3 LYS 12 1HG LYS 12 -3.539 -2.677 5.583
99 HD2 LYS 12 2HD LYS 12 -3.115 -0.635 3.530
100 HD3 LYS 12 1HD LYS 12 -3.571 -2.218 2.891
101 HE2 LYS 12 2HE LYS 12 -5.453 -2.229 4.551
102 HE3 LYS 12 1HE LYS 12 -5.052 -0.553 4.920
103 HZ1 LYS 12 3HZ LYS 12 -6.829 -0.660 3.311
104 HZ2 LYS 12 1HZ LYS 12 -5.883 -1.600 2.269
105 HZ3 LYS 12 2HZ LYS 12 -5.450 0.002 2.590
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