Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
8954 | 1n6t RC | 5611 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 1.428 -0.452 -1.998
3 1HB HIS 1 1HB HIS 1 3.151 1.846 -1.042
4 2HB HIS 1 2HB HIS 1 2.799 1.402 -2.701
5 HD1 HIS 1 HD1 HIS 1 2.135 4.224 -2.020
6 HD2 HIS 1 HD2 HIS 1 -0.578 1.097 -1.346
7 HE1 HIS 1 HE1 HIS 1 -0.178 5.295 -1.914
8 H LYS 2 H LYS 2 3.825 -0.574 -3.067
9 HA LYS 2 HA LYS 2 5.058 -2.723 -1.691
10 1HB LYS 2 1HB LYS 2 4.877 -2.567 -4.153
11 2HB LYS 2 2HB LYS 2 5.955 -1.186 -4.148
12 1HG LYS 2 1HG LYS 2 7.098 -3.419 -2.619
13 2HG LYS 2 2HG LYS 2 6.698 -3.914 -4.252
14 1HD LYS 2 1HD LYS 2 8.128 -2.283 -5.238
15 2HD LYS 2 2HD LYS 2 8.178 -1.307 -3.784
16 1HE LYS 2 1HE LYS 2 9.788 -2.641 -2.764
17 2HE LYS 2 2HE LYS 2 9.216 -4.111 -3.526
18 1HZ LYS 2 1HZ LYS 2 10.307 -3.528 -5.539
19 2HZ LYS 2 2HZ LYS 2 10.567 -1.986 -5.088
20 H THR 3 H THR 3 5.387 0.754 -1.642
21 HA THR 3 HA THR 3 8.112 0.816 -0.815
22 HB THR 3 HB THR 3 5.858 2.864 -0.480
23 HG1 THR 3 HG1 THR 3 7.874 2.366 -2.556
24 1HG2 THR 3 1HG2 THR 3 7.957 4.378 -0.993
25 2HG2 THR 3 2HG2 THR 3 7.747 3.763 0.664
26 3HG2 THR 3 3HG2 THR 3 8.899 2.973 -0.439
27 H ASP 4 H ASP 4 5.015 0.275 0.800
28 HA ASP 4 HA ASP 4 6.137 0.806 3.364
29 1HB ASP 4 1HB ASP 4 3.499 0.086 2.215
30 2HB ASP 4 2HB ASP 4 3.798 -0.667 3.768
31 HD2 ASP 4 HD2 ASP 4 2.509 0.480 4.958
32 H SER 5 H SER 5 5.935 -1.826 1.076
33 HA SER 5 HA SER 5 5.900 -3.951 2.898
34 1HB SER 5 1HB SER 5 6.449 -3.587 -0.026
35 2HB SER 5 2HB SER 5 7.082 -5.048 0.706
36 HG SER 5 HG SER 5 4.782 -5.255 1.632
37 H PHE 6 H PHE 6 8.233 -1.567 2.264
38 HA PHE 6 HA PHE 6 10.613 -2.973 2.194
39 1HB PHE 6 1HB PHE 6 11.522 -0.802 2.675
40 2HB PHE 6 2HB PHE 6 9.960 -0.414 1.982
41 HD1 PHE 6 HD1 PHE 6 7.999 -0.127 3.688
42 HD2 PHE 6 HD2 PHE 6 12.105 0.091 4.735
43 HE1 PHE 6 HE1 PHE 6 7.403 1.166 5.755
44 HE2 PHE 6 HE2 PHE 6 11.510 1.384 6.802
45 HZ PHE 6 HZ PHE 6 9.166 1.907 7.287
46 H VAL 7 H VAL 7 8.288 -2.602 4.776
47 HA VAL 7 HA VAL 7 9.993 -2.759 6.978
48 HB VAL 7 HB VAL 7 7.147 -3.684 6.549
49 1HG1 VAL 7 1HG1 VAL 7 8.523 -3.164 9.202
50 2HG1 VAL 7 2HG1 VAL 7 6.882 -3.796 8.928
51 3HG1 VAL 7 3HG1 VAL 7 8.299 -4.785 8.502
52 1HG2 VAL 7 1HG2 VAL 7 8.100 -1.184 7.965
53 2HG2 VAL 7 2HG2 VAL 7 7.752 -1.222 6.220
54 3HG2 VAL 7 3HG2 VAL 7 6.462 -1.582 7.392
55 H GLY 8 H GLY 8 9.132 -5.079 4.513
56 1HA GLY 8 1HA GLY 8 9.515 -7.453 6.026
57 2HA GLY 8 2HA GLY 8 9.522 -7.288 4.282
58 H LEU 9 H LEU 9 11.684 -5.016 4.759
59 HA LEU 9 HA LEU 9 13.895 -6.781 4.375
60 1HB LEU 9 1HB LEU 9 13.499 -3.805 4.388
61 2HB LEU 9 2HB LEU 9 15.112 -4.492 4.370
62 HG LEU 9 HG LEU 9 13.312 -5.632 2.335
63 1HD1 LEU 9 1HD1 LEU 9 12.917 -3.805 1.009
64 2HD1 LEU 9 2HD1 LEU 9 12.734 -3.077 2.623
65 3HD1 LEU 9 3HD1 LEU 9 14.250 -2.859 1.715
66 1HD2 LEU 9 1HD2 LEU 9 15.588 -6.235 2.231
67 2HD2 LEU 9 2HD2 LEU 9 15.339 -5.075 0.904
68 3HD2 LEU 9 3HD2 LEU 9 16.131 -4.549 2.409
69 H MET 10 H MET 10 12.324 -5.263 7.084
70 HA MET 10 HA MET 10 14.690 -5.261 8.689
71 1HB MET 10 1HB MET 10 11.769 -4.540 8.999
72 2HB MET 10 2HB MET 10 12.654 -4.894 10.469
73 1HG MET 10 1HG MET 10 14.313 -3.151 9.964
74 2HG MET 10 2HG MET 10 13.614 -2.880 8.380
75 1HE MET 10 1HE MET 10 14.361 -1.417 11.024
76 2HE MET 10 2HE MET 10 13.234 -0.039 11.056
77 3HE MET 10 3HE MET 10 13.072 -1.350 12.249
Start of MODEL 2
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 1.416 0.424 -2.005
3 1HB HIS 1 1HB HIS 1 4.008 0.457 -0.433
4 2HB HIS 1 2HB HIS 1 3.804 0.933 -2.108
5 HD1 HIS 1 HD1 HIS 1 1.854 2.992 -2.363
6 HD2 HIS 1 HD2 HIS 1 3.931 2.589 1.259
7 HE1 HIS 1 HE1 HIS 1 1.636 5.232 -1.161
8 H LYS 2 H LYS 2 3.702 -0.777 -3.105
9 HA LYS 2 HA LYS 2 2.856 -3.528 -3.030
10 1HB LYS 2 1HB LYS 2 4.176 -1.750 -4.895
11 2HB LYS 2 2HB LYS 2 5.095 -3.231 -4.719
12 1HG LYS 2 1HG LYS 2 3.012 -4.565 -5.134
13 2HG LYS 2 2HG LYS 2 2.103 -3.079 -5.325
14 1HD LYS 2 1HD LYS 2 4.125 -2.602 -7.105
15 2HD LYS 2 2HD LYS 2 4.080 -4.352 -7.184
16 1HE LYS 2 1HE LYS 2 2.444 -3.939 -8.759
17 2HE LYS 2 2HE LYS 2 1.413 -3.885 -7.343
18 1HZ LYS 2 1HZ LYS 2 1.408 -1.899 -9.005
19 2HZ LYS 2 2HZ LYS 2 1.337 -1.576 -7.411
20 H THR 3 H THR 3 5.212 -1.502 -1.483
21 HA THR 3 HA THR 3 7.121 -3.606 -1.033
22 HB THR 3 HB THR 3 6.802 -0.842 0.250
23 HG1 THR 3 HG1 THR 3 7.574 -0.195 -1.725
24 1HG2 THR 3 1HG2 THR 3 9.200 -0.988 0.641
25 2HG2 THR 3 2HG2 THR 3 8.488 -2.479 1.302
26 3HG2 THR 3 3HG2 THR 3 9.312 -2.509 -0.276
27 H ASP 4 H ASP 4 4.214 -2.350 0.538
28 HA ASP 4 HA ASP 4 4.860 -3.612 3.005
29 1HB ASP 4 1HB ASP 4 2.783 -1.836 1.928
30 2HB ASP 4 2HB ASP 4 2.073 -3.102 2.910
31 HD2 ASP 4 HD2 ASP 4 2.645 -0.708 5.399
32 H SER 5 H SER 5 3.469 -4.467 -0.077
33 HA SER 5 HA SER 5 1.680 -6.431 0.823
34 1HB SER 5 1HB SER 5 2.764 -5.464 -1.753
35 2HB SER 5 2HB SER 5 2.414 -7.181 -1.760
36 HG SER 5 HG SER 5 0.670 -5.144 -1.996
37 H PHE 6 H PHE 6 5.069 -6.238 0.909
38 HA PHE 6 HA PHE 6 5.845 -8.795 0.129
39 1HB PHE 6 1HB PHE 6 7.900 -8.116 1.171
40 2HB PHE 6 2HB PHE 6 7.147 -6.581 0.785
41 HD1 PHE 6 HD1 PHE 6 8.767 -8.363 3.288
42 HD2 PHE 6 HD2 PHE 6 5.524 -5.685 2.727
43 HE1 PHE 6 HE1 PHE 6 8.907 -7.688 5.702
44 HE2 PHE 6 HE2 PHE 6 5.663 -5.010 5.140
45 HZ PHE 6 HZ PHE 6 7.353 -6.019 6.599
46 H VAL 7 H VAL 7 4.043 -7.677 2.909
47 HA VAL 7 HA VAL 7 4.829 -9.669 4.733
48 HB VAL 7 HB VAL 7 2.258 -8.090 4.504
49 1HG1 VAL 7 1HG1 VAL 7 3.072 -8.763 7.199
50 2HG1 VAL 7 2HG1 VAL 7 1.537 -9.094 6.362
51 3HG1 VAL 7 3HG1 VAL 7 2.895 -10.235 6.215
52 1HG2 VAL 7 1HG2 VAL 7 4.886 -7.491 5.894
53 2HG2 VAL 7 2HG2 VAL 7 4.085 -6.550 4.612
54 3HG2 VAL 7 3HG2 VAL 7 3.368 -6.629 6.240
55 H GLY 8 H GLY 8 2.901 -9.708 1.832
56 1HA GLY 8 1HA GLY 8 1.137 -11.821 2.462
57 2HA GLY 8 2HA GLY 8 1.617 -11.282 0.865
58 H LEU 9 H LEU 9 4.584 -11.719 1.979
59 HA LEU 9 HA LEU 9 4.860 -14.277 0.788
60 1HB LEU 9 1HB LEU 9 6.467 -12.105 1.196
61 2HB LEU 9 2HB LEU 9 7.090 -13.224 2.392
62 HG LEU 9 HG LEU 9 8.353 -13.400 0.337
63 1HD1 LEU 9 1HD1 LEU 9 8.451 -15.713 0.181
64 2HD1 LEU 9 2HD1 LEU 9 7.705 -15.455 1.777
65 3HD1 LEU 9 3HD1 LEU 9 6.693 -15.908 0.384
66 1HD2 LEU 9 1HD2 LEU 9 5.829 -13.067 -0.916
67 2HD2 LEU 9 2HD2 LEU 9 7.441 -13.155 -1.667
68 3HD2 LEU 9 3HD2 LEU 9 6.483 -14.638 -1.438
69 H MET 10 H MET 10 4.173 -13.109 4.009
70 HA MET 10 HA MET 10 5.173 -15.473 5.265
71 1HB MET 10 1HB MET 10 3.801 -12.906 6.077
72 2HB MET 10 2HB MET 10 3.629 -14.262 7.174
73 1HG MET 10 1HG MET 10 6.189 -14.521 7.083
74 2HG MET 10 2HG MET 10 6.238 -12.998 6.218
75 1HE MET 10 1HE MET 10 5.105 -14.975 9.018
76 2HE MET 10 2HE MET 10 5.847 -14.106 10.383
77 3HE MET 10 3HE MET 10 4.126 -13.858 9.999
Start of MODEL 3
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 1.370 -0.269 -2.033
3 1HB HIS 1 1HB HIS 1 3.410 1.634 -0.855
4 2HB HIS 1 2HB HIS 1 3.051 1.394 -2.554
5 HD1 HIS 1 HD1 HIS 1 1.152 2.751 -3.563
6 HD2 HIS 1 HD2 HIS 1 1.266 2.956 0.625
7 HE1 HIS 1 HE1 HIS 1 -0.531 4.546 -2.889
8 H LYS 2 H LYS 2 3.959 -0.416 -2.974
9 HA LYS 2 HA LYS 2 4.713 -2.985 -2.036
10 1HB LYS 2 1HB LYS 2 4.846 -2.059 -4.416
11 2HB LYS 2 2HB LYS 2 6.282 -1.196 -3.902
12 1HG LYS 2 1HG LYS 2 7.460 -3.236 -3.392
13 2HG LYS 2 2HG LYS 2 5.992 -4.192 -3.449
14 1HD LYS 2 1HD LYS 2 5.883 -4.150 -5.803
15 2HD LYS 2 2HD LYS 2 6.813 -2.669 -5.927
16 1HE LYS 2 1HE LYS 2 8.501 -4.610 -4.644
17 2HE LYS 2 2HE LYS 2 7.760 -5.408 -6.017
18 1HZ LYS 2 1HZ LYS 2 9.837 -4.185 -6.577
19 2HZ LYS 2 2HZ LYS 2 8.570 -3.662 -7.456
20 H THR 3 H THR 3 5.487 0.303 -1.150
21 HA THR 3 HA THR 3 8.073 -0.253 -0.083
22 HB THR 3 HB THR 3 6.105 2.025 0.485
23 HG1 THR 3 HG1 THR 3 8.308 1.717 -1.426
24 1HG2 THR 3 1HG2 THR 3 8.130 3.342 0.910
25 2HG2 THR 3 2HG2 THR 3 8.189 1.902 1.955
26 3HG2 THR 3 3HG2 THR 3 9.166 1.963 0.468
27 H ASP 4 H ASP 4 4.747 -0.596 1.066
28 HA ASP 4 HA ASP 4 5.606 -0.813 3.777
29 1HB ASP 4 1HB ASP 4 3.360 0.084 3.148
30 2HB ASP 4 2HB ASP 4 2.939 -1.458 2.432
31 HD2 ASP 4 HD2 ASP 4 1.087 -1.722 4.664
32 H SER 5 H SER 5 5.196 -2.833 0.937
33 HA SER 5 HA SER 5 4.663 -5.245 2.267
34 1HB SER 5 1HB SER 5 5.130 -4.321 -0.463
35 2HB SER 5 2HB SER 5 5.985 -5.824 -0.180
36 HG SER 5 HG SER 5 4.127 -6.898 -0.119
37 H PHE 6 H PHE 6 7.495 -3.269 1.888
38 HA PHE 6 HA PHE 6 9.504 -5.167 1.778
39 1HB PHE 6 1HB PHE 6 9.046 -2.328 2.608
40 2HB PHE 6 2HB PHE 6 10.415 -3.062 3.419
41 HD1 PHE 6 HD1 PHE 6 12.442 -3.537 2.241
42 HD2 PHE 6 HD2 PHE 6 9.040 -2.121 0.136
43 HE1 PHE 6 HE1 PHE 6 13.871 -3.101 0.225
44 HE2 PHE 6 HE2 PHE 6 10.470 -1.685 -1.880
45 HZ PHE 6 HZ PHE 6 12.869 -2.180 -1.812
46 H VAL 7 H VAL 7 7.267 -4.383 4.352
47 HA VAL 7 HA VAL 7 8.844 -5.035 6.558
48 HB VAL 7 HB VAL 7 5.870 -5.218 6.049
49 1HG1 VAL 7 1HG1 VAL 7 6.688 -6.691 7.938
50 2HG1 VAL 7 2HG1 VAL 7 7.239 -5.208 8.754
51 3HG1 VAL 7 3HG1 VAL 7 5.510 -5.439 8.398
52 1HG2 VAL 7 1HG2 VAL 7 6.490 -3.149 7.857
53 2HG2 VAL 7 2HG2 VAL 7 7.694 -3.027 6.551
54 3HG2 VAL 7 3HG2 VAL 7 5.956 -2.991 6.166
55 H GLY 8 H GLY 8 7.480 -6.975 3.986
56 1HA GLY 8 1HA GLY 8 7.098 -9.423 5.237
57 2HA GLY 8 2HA GLY 8 7.562 -9.180 3.565
58 H LEU 9 H LEU 9 10.039 -7.592 4.765
59 HA LEU 9 HA LEU 9 11.801 -9.807 4.596
60 1HB LEU 9 1HB LEU 9 12.565 -7.791 3.706
61 2HB LEU 9 2HB LEU 9 12.092 -6.866 5.118
62 HG LEU 9 HG LEU 9 14.119 -8.940 5.660
63 1HD1 LEU 9 1HD1 LEU 9 15.868 -7.185 4.693
64 2HD1 LEU 9 2HD1 LEU 9 15.224 -8.526 3.715
65 3HD1 LEU 9 3HD1 LEU 9 14.545 -6.890 3.539
66 1HD2 LEU 9 1HD2 LEU 9 15.193 -6.902 6.772
67 2HD2 LEU 9 2HD2 LEU 9 13.691 -6.038 6.365
68 3HD2 LEU 9 3HD2 LEU 9 13.636 -7.470 7.422
69 H MET 10 H MET 10 10.007 -8.257 7.166
70 HA MET 10 HA MET 10 11.774 -9.003 9.233
71 1HB MET 10 1HB MET 10 9.490 -7.390 8.937
72 2HB MET 10 2HB MET 10 8.887 -8.718 9.909
73 1HG MET 10 1HG MET 10 10.232 -8.189 11.733
74 2HG MET 10 2HG MET 10 11.538 -7.577 10.737
75 1HE MET 10 1HE MET 10 10.592 -4.991 13.183
76 2HE MET 10 2HE MET 10 8.949 -5.667 13.294
77 3HE MET 10 3HE MET 10 10.359 -6.753 13.284
Start of MODEL 4
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 3.104 0.246 -0.991
3 1HB HIS 1 1HB HIS 1 1.038 -1.727 -1.991
4 2HB HIS 1 2HB HIS 1 2.489 -1.322 -2.885
5 HD1 HIS 1 HD1 HIS 1 1.719 -4.176 -1.567
6 HD2 HIS 1 HD2 HIS 1 4.483 -1.382 -0.103
7 HE1 HIS 1 HE1 HIS 1 3.345 -5.482 -0.097
8 H LYS 2 H LYS 2 2.869 0.569 -3.645
9 HA LYS 2 HA LYS 2 1.588 3.095 -3.832
10 1HB LYS 2 1HB LYS 2 3.173 1.343 -5.696
11 2HB LYS 2 2HB LYS 2 2.322 2.743 -6.317
12 1HG LYS 2 1HG LYS 2 3.638 3.622 -3.939
13 2HG LYS 2 2HG LYS 2 4.808 2.639 -4.799
14 1HD LYS 2 1HD LYS 2 3.273 4.507 -6.538
15 2HD LYS 2 2HD LYS 2 4.278 5.302 -5.343
16 1HE LYS 2 1HE LYS 2 5.817 3.143 -6.486
17 2HE LYS 2 2HE LYS 2 5.093 4.038 -7.807
18 1HZ LYS 2 1HZ LYS 2 7.282 4.929 -6.971
19 2HZ LYS 2 2HZ LYS 2 6.095 6.043 -7.026
20 H THR 3 H THR 3 0.633 -0.227 -4.369
21 HA THR 3 HA THR 3 -1.437 0.368 -6.251
22 HB THR 3 HB THR 3 -0.986 -2.062 -4.439
23 HG1 THR 3 HG1 THR 3 0.651 -2.438 -5.889
24 1HG2 THR 3 1HG2 THR 3 -1.949 -2.385 -7.227
25 2HG2 THR 3 2HG2 THR 3 -2.535 -3.162 -5.736
26 3HG2 THR 3 3HG2 THR 3 -3.112 -1.537 -6.179
27 H ASP 4 H ASP 4 -1.109 0.412 -2.731
28 HA ASP 4 HA ASP 4 -3.938 0.419 -2.372
29 1HB ASP 4 1HB ASP 4 -2.054 -0.423 -0.743
30 2HB ASP 4 2HB ASP 4 -1.867 1.266 -0.315
31 HD2 ASP 4 HD2 ASP 4 -4.070 -0.164 2.098
32 H SER 5 H SER 5 -1.362 2.667 -3.074
33 HA SER 5 HA SER 5 -2.379 4.915 -1.771
34 1HB SER 5 1HB SER 5 -0.034 4.423 -2.904
35 2HB SER 5 2HB SER 5 -0.788 5.087 -4.340
36 HG SER 5 HG SER 5 -0.919 6.508 -1.840
37 H PHE 6 H PHE 6 -3.442 3.118 -4.527
38 HA PHE 6 HA PHE 6 -4.444 5.133 -6.155
39 1HB PHE 6 1HB PHE 6 -4.822 2.208 -5.586
40 2HB PHE 6 2HB PHE 6 -6.209 2.962 -6.347
41 HD1 PHE 6 HD1 PHE 6 -3.391 1.150 -7.035
42 HD2 PHE 6 HD2 PHE 6 -5.394 4.645 -8.369
43 HE1 PHE 6 HE1 PHE 6 -2.280 0.932 -9.275
44 HE2 PHE 6 HE2 PHE 6 -4.283 4.427 -10.609
45 HZ PHE 6 HZ PHE 6 -2.740 2.573 -11.035
46 H VAL 7 H VAL 7 -5.445 4.053 -2.995
47 HA VAL 7 HA VAL 7 -8.193 4.631 -3.217
48 HB VAL 7 HB VAL 7 -6.292 4.492 -0.873
49 1HG1 VAL 7 1HG1 VAL 7 -9.292 4.867 -0.958
50 2HG1 VAL 7 2HG1 VAL 7 -8.466 4.149 0.445
51 3HG1 VAL 7 3HG1 VAL 7 -8.074 5.808 -0.065
52 1HG2 VAL 7 1HG2 VAL 7 -7.096 2.273 -0.543
53 2HG2 VAL 7 2HG2 VAL 7 -8.391 2.488 -1.745
54 3HG2 VAL 7 3HG2 VAL 7 -6.692 2.416 -2.271
55 H GLY 8 H GLY 8 -5.320 6.601 -3.058
56 1HA GLY 8 1HA GLY 8 -6.370 8.887 -1.787
57 2HA GLY 8 2HA GLY 8 -4.994 8.818 -2.870
58 H LEU 9 H LEU 9 -7.007 7.431 -4.901
59 HA LEU 9 HA LEU 9 -7.678 9.908 -6.189
60 1HB LEU 9 1HB LEU 9 -7.355 7.104 -6.904
61 2HB LEU 9 2HB LEU 9 -8.770 7.817 -7.652
62 HG LEU 9 HG LEU 9 -6.798 9.732 -8.072
63 1HD1 LEU 9 1HD1 LEU 9 -5.415 7.366 -9.122
64 2HD1 LEU 9 2HD1 LEU 9 -4.768 8.839 -8.361
65 3HD1 LEU 9 3HD1 LEU 9 -5.370 7.505 -7.348
66 1HD2 LEU 9 1HD2 LEU 9 -8.435 9.234 -9.711
67 2HD2 LEU 9 2HD2 LEU 9 -6.858 8.849 -10.439
68 3HD2 LEU 9 3HD2 LEU 9 -7.903 7.541 -9.838
69 H MET 10 H MET 10 -9.173 7.684 -3.980
70 HA MET 10 HA MET 10 -11.818 8.072 -4.835
71 1HB MET 10 1HB MET 10 -10.615 6.320 -3.167
72 2HB MET 10 2HB MET 10 -11.077 7.492 -1.948
73 1HG MET 10 1HG MET 10 -13.450 7.322 -3.266
74 2HG MET 10 2HG MET 10 -12.823 5.731 -3.649
75 1HE MET 10 1HE MET 10 -13.919 3.746 -1.591
76 2HE MET 10 2HE MET 10 -15.236 4.816 -1.054
77 3HE MET 10 3HE MET 10 -14.692 4.855 -2.749
Start of MODEL 5
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 2.472 1.007 -1.371
3 1HB HIS 1 1HB HIS 1 2.890 -1.956 -0.902
4 2HB HIS 1 2HB HIS 1 3.712 -1.048 -2.155
5 HD1 HIS 1 HD1 HIS 1 5.554 0.662 -1.411
6 HD2 HIS 1 HD2 HIS 1 3.804 -1.492 1.734
7 HE1 HIS 1 HE1 HIS 1 7.042 1.037 0.627
8 H LYS 2 H LYS 2 2.670 -0.120 -3.764
9 HA LYS 2 HA LYS 2 0.002 -0.014 -4.736
10 1HB LYS 2 1HB LYS 2 2.254 0.788 -5.804
11 2HB LYS 2 2HB LYS 2 2.375 -0.862 -6.379
12 1HG LYS 2 1HG LYS 2 0.625 -0.626 -7.861
13 2HG LYS 2 2HG LYS 2 -0.304 0.384 -6.770
14 1HD LYS 2 1HD LYS 2 0.535 2.323 -7.650
15 2HD LYS 2 2HD LYS 2 2.173 1.703 -7.703
16 1HE LYS 2 1HE LYS 2 1.309 0.236 -9.717
17 2HE LYS 2 2HE LYS 2 -0.034 1.362 -9.762
18 1HZ LYS 2 1HZ LYS 2 2.837 2.051 -10.061
19 2HZ LYS 2 2HZ LYS 2 1.679 2.191 -11.197
20 H THR 3 H THR 3 2.159 -2.530 -3.611
21 HA THR 3 HA THR 3 0.988 -4.656 -5.098
22 HB THR 3 HB THR 3 2.626 -4.591 -2.507
23 HG1 THR 3 HG1 THR 3 3.695 -3.641 -4.356
24 1HG2 THR 3 1HG2 THR 3 1.334 -6.798 -3.610
25 2HG2 THR 3 2HG2 THR 3 2.904 -6.826 -4.449
26 3HG2 THR 3 3HG2 THR 3 2.844 -6.878 -2.671
27 H ASP 4 H ASP 4 0.150 -2.921 -2.132
28 HA ASP 4 HA ASP 4 -1.565 -4.973 -1.215
29 1HB ASP 4 1HB ASP 4 -0.713 -2.275 -0.389
30 2HB ASP 4 2HB ASP 4 -2.418 -2.534 -0.082
31 HD2 ASP 4 HD2 ASP 4 -2.411 -3.371 2.364
32 H SER 5 H SER 5 -1.711 -2.231 -3.442
33 HA SER 5 HA SER 5 -4.512 -1.908 -3.330
34 1HB SER 5 1HB SER 5 -2.469 -0.379 -4.270
35 2HB SER 5 2HB SER 5 -2.992 -1.095 -5.782
36 HG SER 5 HG SER 5 -4.818 0.054 -5.744
37 H PHE 6 H PHE 6 -2.308 -4.137 -4.877
38 HA PHE 6 HA PHE 6 -3.914 -4.768 -7.115
39 1HB PHE 6 1HB PHE 6 -1.506 -5.758 -5.609
40 2HB PHE 6 2HB PHE 6 -2.348 -7.004 -6.508
41 HD1 PHE 6 HD1 PHE 6 -1.301 -7.474 -8.496
42 HD2 PHE 6 HD2 PHE 6 -1.468 -3.434 -7.207
43 HE1 PHE 6 HE1 PHE 6 -0.125 -6.756 -10.594
44 HE2 PHE 6 HE2 PHE 6 -0.292 -2.716 -9.305
45 HZ PHE 6 HZ PHE 6 0.366 -4.385 -10.974
46 H VAL 7 H VAL 7 -4.064 -5.560 -3.710
47 HA VAL 7 HA VAL 7 -5.189 -8.084 -3.799
48 HB VAL 7 HB VAL 7 -4.394 -6.483 -1.866
49 1HG1 VAL 7 1HG1 VAL 7 -5.942 -5.176 -0.809
50 2HG1 VAL 7 2HG1 VAL 7 -6.579 -5.060 -2.467
51 3HG1 VAL 7 3HG1 VAL 7 -7.313 -6.196 -1.310
52 1HG2 VAL 7 1HG2 VAL 7 -5.577 -7.927 -0.243
53 2HG2 VAL 7 2HG2 VAL 7 -6.627 -8.518 -1.553
54 3HG2 VAL 7 3HG2 VAL 7 -4.880 -8.856 -1.592
55 H GLY 8 H GLY 8 -6.442 -4.985 -4.830
56 1HA GLY 8 1HA GLY 8 -9.179 -5.332 -4.501
57 2HA GLY 8 2HA GLY 8 -8.400 -4.385 -5.753
58 H LEU 9 H LEU 9 -6.925 -7.117 -6.478
59 HA LEU 9 HA LEU 9 -8.672 -7.748 -8.600
60 1HB LEU 9 1HB LEU 9 -6.336 -7.938 -8.919
61 2HB LEU 9 2HB LEU 9 -6.145 -8.978 -7.522
62 HG LEU 9 HG LEU 9 -7.874 -10.452 -9.066
63 1HD1 LEU 9 1HD1 LEU 9 -5.863 -9.395 -11.045
64 2HD1 LEU 9 2HD1 LEU 9 -7.322 -10.373 -11.332
65 3HD1 LEU 9 3HD1 LEU 9 -7.475 -8.660 -10.871
66 1HD2 LEU 9 1HD2 LEU 9 -5.065 -10.519 -8.297
67 2HD2 LEU 9 2HD2 LEU 9 -6.265 -11.830 -8.383
68 3HD2 LEU 9 3HD2 LEU 9 -5.367 -11.349 -9.843
69 H MET 10 H MET 10 -8.417 -8.778 -5.267
70 HA MET 10 HA MET 10 -9.648 -11.292 -5.689
71 1HB MET 10 1HB MET 10 -8.349 -9.871 -3.572
72 2HB MET 10 2HB MET 10 -9.976 -10.165 -2.991
73 1HG MET 10 1HG MET 10 -8.482 -12.446 -4.301
74 2HG MET 10 2HG MET 10 -8.049 -11.995 -2.664
75 1HE MET 10 1HE MET 10 -8.833 -12.902 -0.890
76 2HE MET 10 2HE MET 10 -10.283 -11.915 -0.585
77 3HE MET 10 3HE MET 10 -10.394 -13.691 -0.560
Start of MODEL 6
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 2.261 -1.044 -1.498
3 1HB HIS 1 1HB HIS 1 1.920 0.976 -3.151
4 2HB HIS 1 2HB HIS 1 0.633 -0.168 -2.829
5 HD1 HIS 1 HD1 HIS 1 -1.061 1.760 -3.534
6 HD2 HIS 1 HD2 HIS 1 1.147 2.495 -0.045
7 HE1 HIS 1 HE1 HIS 1 -2.221 3.700 -2.349
8 H LYS 2 H LYS 2 3.936 0.390 -3.004
9 HA LYS 2 HA LYS 2 5.983 1.082 -1.155
10 1HB LYS 2 1HB LYS 2 5.966 0.033 -3.649
11 2HB LYS 2 2HB LYS 2 6.294 1.708 -4.044
12 1HG LYS 2 1HG LYS 2 8.434 1.526 -3.316
13 2HG LYS 2 2HG LYS 2 7.901 0.960 -1.745
14 1HD LYS 2 1HD LYS 2 7.619 -1.095 -3.856
15 2HD LYS 2 2HD LYS 2 9.275 -0.559 -3.652
16 1HE LYS 2 1HE LYS 2 9.220 -1.087 -1.256
17 2HE LYS 2 2HE LYS 2 7.502 -1.426 -1.321
18 1HZ LYS 2 1HZ LYS 2 8.757 -3.024 -3.252
19 2HZ LYS 2 2HZ LYS 2 9.609 -3.195 -1.875
20 H THR 3 H THR 3 3.330 2.763 -2.572
21 HA THR 3 HA THR 3 4.573 5.329 -2.732
22 HB THR 3 HB THR 3 1.623 4.513 -2.576
23 HG1 THR 3 HG1 THR 3 3.652 4.802 -4.674
24 1HG2 THR 3 1HG2 THR 3 3.094 7.048 -3.175
25 2HG2 THR 3 2HG2 THR 3 1.864 6.588 -4.377
26 3HG2 THR 3 3HG2 THR 3 1.402 6.815 -2.673
27 H ASP 4 H ASP 4 3.065 3.402 -0.181
28 HA ASP 4 HA ASP 4 2.728 5.683 1.491
29 1HB ASP 4 1HB ASP 4 1.257 3.654 1.614
30 2HB ASP 4 2HB ASP 4 2.633 2.695 2.121
31 HD2 ASP 4 HD2 ASP 4 0.250 3.099 3.502
32 H SER 5 H SER 5 5.210 3.348 0.654
33 HA SER 5 HA SER 5 6.604 3.472 3.107
34 1HB SER 5 1HB SER 5 6.721 1.934 0.738
35 2HB SER 5 2HB SER 5 8.256 2.778 0.789
36 HG SER 5 HG SER 5 7.200 1.380 3.086
37 H PHE 6 H PHE 6 6.021 5.784 0.755
38 HA PHE 6 HA PHE 6 8.489 6.885 0.198
39 1HB PHE 6 1HB PHE 6 7.132 8.731 -0.521
40 2HB PHE 6 2HB PHE 6 6.005 7.390 -0.580
41 HD1 PHE 6 HD1 PHE 6 4.548 7.013 1.538
42 HD2 PHE 6 HD2 PHE 6 6.598 10.634 0.705
43 HE1 PHE 6 HE1 PHE 6 3.002 8.244 3.086
44 HE2 PHE 6 HE2 PHE 6 5.052 11.865 2.252
45 HZ PHE 6 HZ PHE 6 3.272 10.656 3.424
46 H VAL 7 H VAL 7 6.747 6.716 3.218
47 HA VAL 7 HA VAL 7 7.624 9.071 4.421
48 HB VAL 7 HB VAL 7 7.226 7.770 6.535
49 1HG1 VAL 7 1HG1 VAL 7 5.361 8.512 4.443
50 2HG1 VAL 7 2HG1 VAL 7 4.724 7.159 5.409
51 3HG1 VAL 7 3HG1 VAL 7 5.210 8.673 6.210
52 1HG2 VAL 7 1HG2 VAL 7 7.884 5.549 5.477
53 2HG2 VAL 7 2HG2 VAL 7 6.415 5.540 6.482
54 3HG2 VAL 7 3HG2 VAL 7 6.279 5.549 4.708
55 H GLY 8 H GLY 8 9.293 6.113 3.535
56 1HA GLY 8 1HA GLY 8 11.406 6.262 5.423
57 2HA GLY 8 2HA GLY 8 11.385 5.367 3.916
58 H LEU 9 H LEU 9 10.579 8.123 2.575
59 HA LEU 9 HA LEU 9 13.235 8.765 1.811
60 1HB LEU 9 1HB LEU 9 10.576 10.070 1.222
61 2HB LEU 9 2HB LEU 9 12.095 10.546 0.490
62 HG LEU 9 HG LEU 9 10.999 7.737 0.265
63 1HD1 LEU 9 1HD1 LEU 9 10.711 9.349 -2.136
64 2HD1 LEU 9 2HD1 LEU 9 9.528 8.315 -1.300
65 3HD1 LEU 9 3HD1 LEU 9 9.761 10.001 -0.780
66 1HD2 LEU 9 1HD2 LEU 9 13.265 7.690 -0.282
67 2HD2 LEU 9 2HD2 LEU 9 12.454 7.858 -1.858
68 3HD2 LEU 9 3HD2 LEU 9 13.206 9.276 -1.089
69 H MET 10 H MET 10 11.097 9.754 4.382
70 HA MET 10 HA MET 10 12.391 12.286 4.708
71 1HB MET 10 1HB MET 10 9.965 11.918 5.260
72 2HB MET 10 2HB MET 10 10.412 10.724 6.462
73 1HG MET 10 1HG MET 10 11.341 12.347 7.927
74 2HG MET 10 2HG MET 10 11.575 13.519 6.645
75 1HE MET 10 1HE MET 10 8.698 14.365 9.509
76 2HE MET 10 2HE MET 10 10.209 13.427 9.590
77 3HE MET 10 3HE MET 10 10.215 15.068 8.901
Start of MODEL 7
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 3.117 -0.175 -0.983
3 1HB HIS 1 1HB HIS 1 1.274 -1.972 -1.529
4 2HB HIS 1 2HB HIS 1 0.770 -0.815 -2.744
5 HD1 HIS 1 HD1 HIS 1 4.373 -1.654 -1.769
6 HD2 HIS 1 HD2 HIS 1 1.749 -2.003 -5.022
7 HE1 HIS 1 HE1 HIS 1 5.766 -2.527 -3.720
8 H LYS 2 H LYS 2 2.118 0.517 -3.784
9 HA LYS 2 HA LYS 2 2.328 3.378 -3.409
10 1HB LYS 2 1HB LYS 2 3.113 1.461 -5.407
11 2HB LYS 2 2HB LYS 2 2.113 2.690 -6.156
12 1HG LYS 2 1HG LYS 2 4.379 3.436 -4.266
13 2HG LYS 2 2HG LYS 2 4.675 3.148 -5.969
14 1HD LYS 2 1HD LYS 2 2.370 4.897 -5.691
15 2HD LYS 2 2HD LYS 2 3.693 5.541 -4.739
16 1HE LYS 2 1HE LYS 2 4.947 6.060 -6.591
17 2HE LYS 2 2HE LYS 2 4.542 4.565 -7.410
18 1HZ LYS 2 1HZ LYS 2 3.132 5.783 -8.644
19 2HZ LYS 2 2HZ LYS 2 2.193 6.027 -7.336
20 H THR 3 H THR 3 -0.161 1.402 -2.974
21 HA THR 3 HA THR 3 -2.084 2.486 -4.800
22 HB THR 3 HB THR 3 -2.434 0.901 -2.202
23 HG1 THR 3 HG1 THR 3 -2.162 -0.884 -3.667
24 1HG2 THR 3 1HG2 THR 3 -4.224 0.121 -4.286
25 2HG2 THR 3 2HG2 THR 3 -4.648 0.942 -2.765
26 3HG2 THR 3 3HG2 THR 3 -4.291 1.899 -4.223
27 H ASP 4 H ASP 4 -0.789 3.354 -1.627
28 HA ASP 4 HA ASP 4 -2.984 5.032 -1.011
29 1HB ASP 4 1HB ASP 4 -0.232 4.515 0.125
30 2HB ASP 4 2HB ASP 4 -1.075 5.965 0.633
31 HD2 ASP 4 HD2 ASP 4 -1.155 4.955 2.784
32 H SER 5 H SER 5 -0.010 5.208 -2.883
33 HA SER 5 HA SER 5 0.469 7.939 -2.666
34 1HB SER 5 1HB SER 5 1.892 5.936 -3.680
35 2HB SER 5 2HB SER 5 1.105 6.386 -5.180
36 HG SER 5 HG SER 5 2.278 8.468 -3.617
37 H PHE 6 H PHE 6 -2.037 6.126 -4.225
38 HA PHE 6 HA PHE 6 -2.534 7.651 -6.481
39 1HB PHE 6 1HB PHE 6 -4.088 5.929 -4.511
40 2HB PHE 6 2HB PHE 6 -5.013 6.826 -5.699
41 HD1 PHE 6 HD1 PHE 6 -5.592 5.658 -7.589
42 HD2 PHE 6 HD2 PHE 6 -1.938 4.693 -5.658
43 HE1 PHE 6 HE1 PHE 6 -5.178 3.848 -9.277
44 HE2 PHE 6 HE2 PHE 6 -1.525 2.882 -7.346
45 HZ PHE 6 HZ PHE 6 -3.150 2.481 -9.136
46 H VAL 7 H VAL 7 -2.891 8.435 -3.093
47 HA VAL 7 HA VAL 7 -5.031 10.213 -3.233
48 HB VAL 7 HB VAL 7 -2.596 10.134 -1.442
49 1HG1 VAL 7 1HG1 VAL 7 -4.698 12.105 -1.651
50 2HG1 VAL 7 2HG1 VAL 7 -4.788 11.276 -0.078
51 3HG1 VAL 7 3HG1 VAL 7 -3.278 12.075 -0.578
52 1HG2 VAL 7 1HG2 VAL 7 -3.882 8.840 0.065
53 2HG2 VAL 7 2HG2 VAL 7 -5.394 9.165 -0.817
54 3HG2 VAL 7 3HG2 VAL 7 -4.153 8.111 -1.537
55 H GLY 8 H GLY 8 -1.821 10.357 -4.558
56 1HA GLY 8 1HA GLY 8 -1.326 13.112 -4.497
57 2HA GLY 8 2HA GLY 8 -0.696 11.961 -5.658
58 H LEU 9 H LEU 9 -3.796 11.292 -6.133
59 HA LEU 9 HA LEU 9 -3.986 12.926 -8.443
60 1HB LEU 9 1HB LEU 9 -4.790 10.686 -8.500
61 2HB LEU 9 2HB LEU 9 -5.838 10.949 -7.120
62 HG LEU 9 HG LEU 9 -6.674 12.850 -9.001
63 1HD1 LEU 9 1HD1 LEU 9 -6.741 11.960 -11.092
64 2HD1 LEU 9 2HD1 LEU 9 -5.218 11.230 -10.532
65 3HD1 LEU 9 3HD1 LEU 9 -6.722 10.279 -10.506
66 1HD2 LEU 9 1HD2 LEU 9 -7.813 10.152 -8.230
67 2HD2 LEU 9 2HD2 LEU 9 -8.157 11.731 -7.484
68 3HD2 LEU 9 3HD2 LEU 9 -8.695 11.397 -9.147
69 H MET 10 H MET 10 -4.890 13.275 -5.091
70 HA MET 10 HA MET 10 -7.038 15.047 -5.565
71 1HB MET 10 1HB MET 10 -5.784 13.708 -3.351
72 2HB MET 10 2HB MET 10 -5.711 15.418 -2.978
73 1HG MET 10 1HG MET 10 -7.858 15.172 -2.234
74 2HG MET 10 2HG MET 10 -8.309 15.178 -3.927
75 1HE MET 10 1HE MET 10 -10.508 12.469 -2.343
76 2HE MET 10 2HE MET 10 -9.527 13.121 -1.009
77 3HE MET 10 3HE MET 10 -10.160 14.212 -2.265
Start of MODEL 8
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 2.889 0.713 -1.120
3 1HB HIS 1 1HB HIS 1 1.894 -2.085 -1.725
4 2HB HIS 1 2HB HIS 1 3.317 -1.316 -2.398
5 HD1 HIS 1 HD1 HIS 1 2.413 -3.655 0.135
6 HD2 HIS 1 HD2 HIS 1 5.187 -0.516 -0.084
7 HE1 HIS 1 HE1 HIS 1 4.133 -4.092 1.968
8 H LYS 2 H LYS 2 2.785 0.648 -3.651
9 HA LYS 2 HA LYS 2 0.210 1.771 -4.337
10 1HB LYS 2 1HB LYS 2 2.856 2.361 -4.997
11 2HB LYS 2 2HB LYS 2 2.207 1.656 -6.464
12 1HG LYS 2 1HG LYS 2 0.688 3.799 -4.923
13 2HG LYS 2 2HG LYS 2 1.898 4.217 -6.119
14 1HD LYS 2 1HD LYS 2 0.213 2.226 -7.315
15 2HD LYS 2 2HD LYS 2 -0.850 3.381 -6.537
16 1HE LYS 2 1HE LYS 2 -0.416 4.146 -8.816
17 2HE LYS 2 2HE LYS 2 0.362 5.254 -7.704
18 1HZ LYS 2 1HZ LYS 2 2.248 4.814 -8.820
19 2HZ LYS 2 2HZ LYS 2 2.246 3.301 -8.218
20 H THR 3 H THR 3 1.115 -1.287 -3.955
21 HA THR 3 HA THR 3 0.425 -2.341 -6.554
22 HB THR 3 HB THR 3 0.928 -3.659 -3.833
23 HG1 THR 3 HG1 THR 3 2.978 -3.095 -4.443
24 1HG2 THR 3 1HG2 THR 3 0.050 -4.752 -6.372
25 2HG2 THR 3 2HG2 THR 3 1.745 -5.226 -6.105
26 3HG2 THR 3 3HG2 THR 3 0.505 -5.636 -4.895
27 H ASP 4 H ASP 4 -1.192 -1.549 -3.511
28 HA ASP 4 HA ASP 4 -3.442 -3.165 -4.125
29 1HB ASP 4 1HB ASP 4 -3.280 -0.824 -2.176
30 2HB ASP 4 2HB ASP 4 -4.440 -2.138 -2.140
31 HD2 ASP 4 HD2 ASP 4 -3.218 -4.280 -2.071
32 H SER 5 H SER 5 -2.242 0.072 -4.833
33 HA SER 5 HA SER 5 -4.732 1.288 -5.266
34 1HB SER 5 1HB SER 5 -1.883 1.955 -5.584
35 2HB SER 5 2HB SER 5 -2.859 2.637 -6.869
36 HG SER 5 HG SER 5 -3.512 4.123 -5.487
37 H PHE 6 H PHE 6 -2.764 -0.971 -7.064
38 HA PHE 6 HA PHE 6 -3.594 -0.246 -9.660
39 1HB PHE 6 1HB PHE 6 -2.223 -2.476 -8.180
40 2HB PHE 6 2HB PHE 6 -2.996 -2.980 -9.670
41 HD1 PHE 6 HD1 PHE 6 -2.342 -1.807 -11.822
42 HD2 PHE 6 HD2 PHE 6 -0.155 -1.352 -8.215
43 HE1 PHE 6 HE1 PHE 6 -0.361 -0.987 -13.127
44 HE2 PHE 6 HE2 PHE 6 1.827 -0.533 -9.519
45 HZ PHE 6 HZ PHE 6 1.700 -0.360 -11.960
46 H VAL 7 H VAL 7 -5.181 -1.843 -7.003
47 HA VAL 7 HA VAL 7 -6.847 -3.571 -8.459
48 HB VAL 7 HB VAL 7 -7.101 -2.227 -5.766
49 1HG1 VAL 7 1HG1 VAL 7 -9.330 -2.728 -6.243
50 2HG1 VAL 7 2HG1 VAL 7 -8.911 -4.197 -7.157
51 3HG1 VAL 7 3HG1 VAL 7 -8.769 -4.182 -5.383
52 1HG2 VAL 7 1HG2 VAL 7 -6.308 -4.268 -4.842
53 2HG2 VAL 7 2HG2 VAL 7 -6.477 -5.124 -6.393
54 3HG2 VAL 7 3HG2 VAL 7 -5.218 -3.881 -6.195
55 H GLY 8 H GLY 8 -6.749 -0.095 -8.066
56 1HA GLY 8 1HA GLY 8 -9.457 0.538 -8.405
57 2HA GLY 8 2HA GLY 8 -8.085 1.554 -8.800
58 H LEU 9 H LEU 9 -7.129 -0.884 -10.595
59 HA LEU 9 HA LEU 9 -8.175 0.190 -12.991
60 1HB LEU 9 1HB LEU 9 -5.928 -1.113 -12.323
61 2HB LEU 9 2HB LEU 9 -6.843 -2.463 -12.965
62 HG LEU 9 HG LEU 9 -5.319 -1.322 -14.596
63 1HD1 LEU 9 1HD1 LEU 9 -6.617 -2.248 -16.135
64 2HD1 LEU 9 2HD1 LEU 9 -7.944 -2.309 -14.951
65 3HD1 LEU 9 3HD1 LEU 9 -7.772 -0.899 -16.024
66 1HD2 LEU 9 1HD2 LEU 9 -7.343 0.893 -14.788
67 2HD2 LEU 9 2HD2 LEU 9 -5.974 1.006 -13.656
68 3HD2 LEU 9 3HD2 LEU 9 -5.674 0.823 -15.401
69 H MET 10 H MET 10 -9.261 -2.225 -10.721
70 HA MET 10 HA MET 10 -10.753 -3.715 -12.605
71 1HB MET 10 1HB MET 10 -11.532 -4.916 -10.656
72 2HB MET 10 2HB MET 10 -9.891 -4.442 -10.265
73 1HG MET 10 1HG MET 10 -10.894 -3.669 -8.333
74 2HG MET 10 2HG MET 10 -11.171 -2.245 -9.315
75 1HE MET 10 1HE MET 10 -13.828 -4.235 -6.882
76 2HE MET 10 2HE MET 10 -12.347 -3.249 -6.840
77 3HE MET 10 3HE MET 10 -13.930 -2.468 -7.071
Start of MODEL 9
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 1.721 0.855 -1.822
3 1HB HIS 1 1HB HIS 1 3.925 -0.613 -0.348
4 2HB HIS 1 2HB HIS 1 4.105 0.125 -1.927
5 HD1 HIS 1 HD1 HIS 1 5.110 2.402 -1.843
6 HD2 HIS 1 HD2 HIS 1 2.930 1.525 1.632
7 HE1 HIS 1 HE1 HIS 1 5.365 4.425 -0.309
8 H LYS 2 H LYS 2 2.937 -0.651 -3.600
9 HA LYS 2 HA LYS 2 1.149 -2.904 -3.872
10 1HB LYS 2 1HB LYS 2 2.043 -1.050 -5.638
11 2HB LYS 2 2HB LYS 2 3.201 -2.329 -5.941
12 1HG LYS 2 1HG LYS 2 1.286 -3.954 -6.212
13 2HG LYS 2 2HG LYS 2 0.160 -2.630 -5.992
14 1HD LYS 2 1HD LYS 2 1.266 -1.460 -7.973
15 2HD LYS 2 2HD LYS 2 2.213 -2.911 -8.235
16 1HE LYS 2 1HE LYS 2 0.328 -4.198 -8.863
17 2HE LYS 2 2HE LYS 2 -0.798 -3.150 -8.023
18 1HZ LYS 2 1HZ LYS 2 -0.123 -3.007 -10.697
19 2HZ LYS 2 2HZ LYS 2 -1.017 -1.920 -9.877
20 H THR 3 H THR 3 4.321 -2.233 -2.676
21 HA THR 3 HA THR 3 5.495 -4.742 -3.369
22 HB THR 3 HB THR 3 6.235 -2.686 -1.221
23 HG1 THR 3 HG1 THR 3 7.596 -1.983 -3.124
24 1HG2 THR 3 1HG2 THR 3 8.151 -4.349 -2.882
25 2HG2 THR 3 2HG2 THR 3 8.414 -3.597 -1.290
26 3HG2 THR 3 3HG2 THR 3 7.423 -5.069 -1.426
27 H ASP 4 H ASP 4 3.388 -3.561 -0.788
28 HA ASP 4 HA ASP 4 3.981 -5.816 0.855
29 1HB ASP 4 1HB ASP 4 2.838 -3.272 1.233
30 2HB ASP 4 2HB ASP 4 1.478 -4.360 1.429
31 HD2 ASP 4 HD2 ASP 4 1.254 -5.052 3.450
32 H SER 5 H SER 5 1.925 -4.992 -1.831
33 HA SER 5 HA SER 5 -0.263 -6.624 -1.179
34 1HB SER 5 1HB SER 5 0.690 -5.058 -3.517
35 2HB SER 5 2HB SER 5 -0.285 -6.449 -3.943
36 HG SER 5 HG SER 5 -0.999 -4.118 -2.458
37 H PHE 6 H PHE 6 2.975 -7.286 -2.140
38 HA PHE 6 HA PHE 6 2.479 -9.591 -3.715
39 1HB PHE 6 1HB PHE 6 4.729 -8.113 -2.369
40 2HB PHE 6 2HB PHE 6 5.030 -9.824 -2.599
41 HD1 PHE 6 HD1 PHE 6 4.971 -10.773 -4.922
42 HD2 PHE 6 HD2 PHE 6 4.843 -6.596 -4.187
43 HE1 PHE 6 HE1 PHE 6 5.646 -10.334 -7.299
44 HE2 PHE 6 HE2 PHE 6 5.518 -6.157 -6.564
45 HZ PHE 6 HZ PHE 6 5.911 -8.031 -8.092
46 H VAL 7 H VAL 7 2.153 -8.927 -0.360
47 HA VAL 7 HA VAL 7 3.076 -11.341 0.725
48 HB VAL 7 HB VAL 7 1.013 -9.325 1.623
49 1HG1 VAL 7 1HG1 VAL 7 0.461 -11.379 2.737
50 2HG1 VAL 7 2HG1 VAL 7 2.171 -11.702 3.111
51 3HG1 VAL 7 3HG1 VAL 7 1.328 -10.346 3.899
52 1HG2 VAL 7 1HG2 VAL 7 2.698 -8.264 2.795
53 2HG2 VAL 7 2HG2 VAL 7 3.712 -9.724 2.878
54 3HG2 VAL 7 3HG2 VAL 7 3.582 -8.816 1.353
55 H GLY 8 H GLY 8 0.338 -10.541 -1.271
56 1HA GLY 8 1HA GLY 8 -1.455 -12.552 -0.372
57 2HA GLY 8 2HA GLY 8 -1.498 -11.690 -1.897
58 H LEU 9 H LEU 9 1.528 -12.628 -2.190
59 HA LEU 9 HA LEU 9 0.806 -15.028 -3.626
60 1HB LEU 9 1HB LEU 9 2.797 -12.957 -3.812
61 2HB LEU 9 2HB LEU 9 3.576 -14.527 -3.791
62 HG LEU 9 HG LEU 9 3.173 -13.823 -6.068
63 1HD1 LEU 9 1HD1 LEU 9 1.121 -15.973 -5.651
64 2HD1 LEU 9 2HD1 LEU 9 2.378 -15.822 -6.902
65 3HD1 LEU 9 3HD1 LEU 9 2.827 -16.272 -5.240
66 1HD2 LEU 9 1HD2 LEU 9 0.197 -13.927 -5.706
67 2HD2 LEU 9 2HD2 LEU 9 1.089 -12.436 -5.322
68 3HD2 LEU 9 3HD2 LEU 9 1.167 -13.122 -6.962
69 H MET 10 H MET 10 1.194 -14.516 -0.469
70 HA MET 10 HA MET 10 3.265 -16.331 0.148
71 1HB MET 10 1HB MET 10 2.519 -14.505 1.685
72 2HB MET 10 2HB MET 10 0.921 -15.217 1.788
73 1HG MET 10 1HG MET 10 1.794 -17.198 2.928
74 2HG MET 10 2HG MET 10 3.450 -16.704 2.638
75 1HE MET 10 1HE MET 10 2.214 -17.209 5.873
76 2HE MET 10 2HE MET 10 3.743 -17.280 4.963
77 3HE MET 10 3HE MET 10 3.561 -16.132 6.311
Start of MODEL 10
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 3.087 0.319 -1.002
3 1HB HIS 1 1HB HIS 1 1.589 -2.091 -1.193
4 2HB HIS 1 2HB HIS 1 1.678 -1.418 -2.809
5 HD1 HIS 1 HD1 HIS 1 4.277 -1.666 0.019
6 HD2 HIS 1 HD2 HIS 1 3.808 -2.563 -4.052
7 HE1 HIS 1 HE1 HIS 1 6.503 -2.639 -0.760
8 H LYS 2 H LYS 2 2.708 0.390 -3.728
9 HA LYS 2 HA LYS 2 1.411 2.895 -4.019
10 1HB LYS 2 1HB LYS 2 3.082 1.086 -5.654
11 2HB LYS 2 2HB LYS 2 1.937 2.048 -6.566
12 1HG LYS 2 1HG LYS 2 3.138 3.950 -6.235
13 2HG LYS 2 2HG LYS 2 3.205 3.686 -4.504
14 1HD LYS 2 1HD LYS 2 5.270 2.643 -4.593
15 2HD LYS 2 2HD LYS 2 4.945 1.885 -6.139
16 1HE LYS 2 1HE LYS 2 6.299 3.468 -7.057
17 2HE LYS 2 2HE LYS 2 4.986 4.600 -6.801
18 1HZ LYS 2 1HZ LYS 2 6.187 4.503 -4.363
19 2HZ LYS 2 2HZ LYS 2 7.467 4.381 -5.362
20 H THR 3 H THR 3 0.423 -0.454 -4.237
21 HA THR 3 HA THR 3 -1.752 -0.034 -6.026
22 HB THR 3 HB THR 3 -1.221 -2.238 -3.965
23 HG1 THR 3 HG1 THR 3 0.108 -3.034 -5.629
24 1HG2 THR 3 1HG2 THR 3 -3.275 -1.823 -6.033
25 2HG2 THR 3 2HG2 THR 3 -2.287 -3.263 -6.375
26 3HG2 THR 3 3HG2 THR 3 -3.150 -3.124 -4.825
27 H ASP 4 H ASP 4 -1.237 0.421 -2.558
28 HA ASP 4 HA ASP 4 -4.009 0.455 -1.988
29 1HB ASP 4 1HB ASP 4 -1.798 0.134 -0.461
30 2HB ASP 4 2HB ASP 4 -1.997 1.861 -0.240
31 HD2 ASP 4 HD2 ASP 4 -3.562 2.471 1.208
32 H SER 5 H SER 5 -1.573 2.676 -3.208
33 HA SER 5 HA SER 5 -2.813 5.045 -2.318
34 1HB SER 5 1HB SER 5 -0.353 4.642 -3.084
35 2HB SER 5 2HB SER 5 -0.964 4.815 -4.718
36 HG SER 5 HG SER 5 -1.114 6.772 -2.588
37 H PHE 6 H PHE 6 -3.359 2.765 -4.911
38 HA PHE 6 HA PHE 6 -4.586 4.599 -6.707
39 1HB PHE 6 1HB PHE 6 -3.669 1.902 -6.609
40 2HB PHE 6 2HB PHE 6 -5.405 1.741 -6.788
41 HD1 PHE 6 HD1 PHE 6 -6.201 3.834 -8.567
42 HD2 PHE 6 HD2 PHE 6 -2.639 1.529 -8.632
43 HE1 PHE 6 HE1 PHE 6 -5.984 4.239 -11.035
44 HE2 PHE 6 HE2 PHE 6 -2.422 1.934 -11.100
45 HZ PHE 6 HZ PHE 6 -4.097 3.284 -12.272
46 H VAL 7 H VAL 7 -5.564 2.964 -3.781
47 HA VAL 7 HA VAL 7 -8.294 2.657 -4.335
48 HB VAL 7 HB VAL 7 -6.744 3.030 -1.768
49 1HG1 VAL 7 1HG1 VAL 7 -9.627 2.962 -2.237
50 2HG1 VAL 7 2HG1 VAL 7 -9.085 1.659 -1.152
51 3HG1 VAL 7 3HG1 VAL 7 -8.716 3.355 -0.759
52 1HG2 VAL 7 1HG2 VAL 7 -6.991 0.600 -1.551
53 2HG2 VAL 7 2HG2 VAL 7 -7.866 0.542 -3.100
54 3HG2 VAL 7 3HG2 VAL 7 -6.153 1.025 -3.063
55 H GLY 8 H GLY 8 -6.283 5.455 -3.744
56 1HA GLY 8 1HA GLY 8 -8.083 7.216 -2.564
57 2HA GLY 8 2HA GLY 8 -6.753 7.648 -3.620
58 H LEU 9 H LEU 9 -8.144 5.718 -5.724
59 HA LEU 9 HA LEU 9 -9.432 7.799 -7.121
60 1HB LEU 9 1HB LEU 9 -8.192 5.909 -8.131
61 2HB LEU 9 2HB LEU 9 -9.466 4.819 -7.621
62 HG LEU 9 HG LEU 9 -10.736 6.898 -9.070
63 1HD1 LEU 9 1HD1 LEU 9 -8.278 5.849 -10.499
64 2HD1 LEU 9 2HD1 LEU 9 -9.608 6.756 -11.257
65 3HD1 LEU 9 3HD1 LEU 9 -8.595 7.533 -10.017
66 1HD2 LEU 9 1HD2 LEU 9 -10.354 3.978 -9.229
67 2HD2 LEU 9 2HD2 LEU 9 -11.831 4.961 -9.369
68 3HD2 LEU 9 3HD2 LEU 9 -10.749 4.776 -10.770
69 H MET 10 H MET 10 -10.453 5.565 -4.649
70 HA MET 10 HA MET 10 -13.191 5.619 -5.427
71 1HB MET 10 1HB MET 10 -11.482 4.196 -3.570
72 2HB MET 10 2HB MET 10 -12.788 4.899 -2.636
73 1HG MET 10 1HG MET 10 -14.346 3.929 -4.542
74 2HG MET 10 2HG MET 10 -12.967 2.921 -4.933
75 1HE MET 10 1HE MET 10 -16.035 2.599 -3.719
76 2HE MET 10 2HE MET 10 -15.259 1.063 -4.172
77 3HE MET 10 3HE MET 10 -15.942 1.268 -2.541
Start of MODEL 11
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 1.339 0.013 -2.051
3 1HB HIS 1 1HB HIS 1 3.099 1.672 -0.372
4 2HB HIS 1 2HB HIS 1 3.897 0.999 -1.779
5 HD1 HIS 1 HD1 HIS 1 0.578 2.813 -1.080
6 HD2 HIS 1 HD2 HIS 1 3.614 2.594 -3.967
7 HE1 HIS 1 HE1 HIS 1 -0.016 4.528 -2.874
8 H LYS 2 H LYS 2 3.842 -0.595 -3.044
9 HA LYS 2 HA LYS 2 3.966 -3.374 -2.486
10 1HB LYS 2 1HB LYS 2 4.309 -2.545 -4.731
11 2HB LYS 2 2HB LYS 2 5.654 -1.547 -4.216
12 1HG LYS 2 1HG LYS 2 6.097 -4.300 -3.362
13 2HG LYS 2 2HG LYS 2 5.739 -4.267 -5.077
14 1HD LYS 2 1HD LYS 2 7.952 -3.759 -5.330
15 2HD LYS 2 2HD LYS 2 7.474 -2.133 -4.885
16 1HE LYS 2 1HE LYS 2 8.344 -2.307 -2.734
17 2HE LYS 2 2HE LYS 2 7.999 -4.021 -2.612
18 1HZ LYS 2 1HZ LYS 2 10.128 -4.387 -3.173
19 2HZ LYS 2 2HZ LYS 2 9.890 -3.722 -4.641
20 H THR 3 H THR 3 5.452 -0.514 -1.151
21 HA THR 3 HA THR 3 7.829 -1.784 -0.221
22 HB THR 3 HB THR 3 6.397 0.769 0.687
23 HG1 THR 3 HG1 THR 3 6.893 0.999 -1.512
24 1HG2 THR 3 1HG2 THR 3 8.916 -0.512 1.460
25 2HG2 THR 3 2HG2 THR 3 9.229 1.033 0.633
26 3HG2 THR 3 3HG2 THR 3 8.196 0.993 2.081
27 H ASP 4 H ASP 4 4.493 -1.549 0.923
28 HA ASP 4 HA ASP 4 5.084 -2.142 3.589
29 1HB ASP 4 1HB ASP 4 2.934 -1.224 3.162
30 2HB ASP 4 2HB ASP 4 2.626 -2.318 1.828
31 HD2 ASP 4 HD2 ASP 4 1.258 -4.764 3.764
32 H SER 5 H SER 5 4.678 -4.012 0.592
33 HA SER 5 HA SER 5 4.119 -6.474 1.778
34 1HB SER 5 1HB SER 5 3.891 -5.704 -0.702
35 2HB SER 5 2HB SER 5 5.588 -6.112 -0.857
36 HG SER 5 HG SER 5 5.162 -8.259 -0.580
37 H PHE 6 H PHE 6 7.018 -4.545 1.497
38 HA PHE 6 HA PHE 6 8.864 -6.707 1.607
39 1HB PHE 6 1HB PHE 6 8.805 -3.888 1.188
40 2HB PHE 6 2HB PHE 6 9.679 -4.063 2.697
41 HD1 PHE 6 HD1 PHE 6 9.620 -5.622 -0.702
42 HD2 PHE 6 HD2 PHE 6 11.967 -4.266 2.564
43 HE1 PHE 6 HE1 PHE 6 11.712 -6.170 -1.977
44 HE2 PHE 6 HE2 PHE 6 14.058 -4.814 1.289
45 HZ PHE 6 HZ PHE 6 13.906 -5.760 -0.966
46 H VAL 7 H VAL 7 6.822 -5.087 3.919
47 HA VAL 7 HA VAL 7 8.427 -5.264 6.194
48 HB VAL 7 HB VAL 7 5.425 -5.386 5.850
49 1HG1 VAL 7 1HG1 VAL 7 5.185 -4.879 8.154
50 2HG1 VAL 7 2HG1 VAL 7 6.344 -6.228 8.073
51 3HG1 VAL 7 3HG1 VAL 7 6.927 -4.569 8.349
52 1HG2 VAL 7 1HG2 VAL 7 5.384 -3.121 5.735
53 2HG2 VAL 7 2HG2 VAL 7 6.776 -2.929 6.827
54 3HG2 VAL 7 3HG2 VAL 7 7.039 -3.341 5.116
55 H GLY 8 H GLY 8 6.851 -7.696 4.240
56 1HA GLY 8 1HA GLY 8 6.362 -9.691 6.127
57 2HA GLY 8 2HA GLY 8 6.714 -9.930 4.427
58 H LEU 9 H LEU 9 9.369 -8.275 5.081
59 HA LEU 9 HA LEU 9 11.004 -10.555 5.288
60 1HB LEU 9 1HB LEU 9 11.590 -8.492 4.091
61 2HB LEU 9 2HB LEU 9 11.670 -7.626 5.612
62 HG LEU 9 HG LEU 9 13.426 -10.010 4.991
63 1HD1 LEU 9 1HD1 LEU 9 15.036 -8.709 4.023
64 2HD1 LEU 9 2HD1 LEU 9 13.576 -7.872 3.444
65 3HD1 LEU 9 3HD1 LEU 9 14.484 -7.221 4.829
66 1HD2 LEU 9 1HD2 LEU 9 14.663 -8.210 6.771
67 2HD2 LEU 9 2HD2 LEU 9 12.984 -8.395 7.331
68 3HD2 LEU 9 3HD2 LEU 9 14.014 -9.831 7.121
69 H MET 10 H MET 10 9.295 -8.648 7.626
70 HA MET 10 HA MET 10 11.110 -9.026 9.746
71 1HB MET 10 1HB MET 10 9.042 -7.362 9.382
72 2HB MET 10 2HB MET 10 8.107 -8.662 10.094
73 1HG MET 10 1HG MET 10 10.106 -8.580 11.923
74 2HG MET 10 2HG MET 10 10.216 -6.924 11.359
75 1HE MET 10 1HE MET 10 8.494 -7.204 14.768
76 2HE MET 10 2HE MET 10 8.052 -8.854 14.268
77 3HE MET 10 3HE MET 10 9.696 -8.243 13.967
Start of MODEL 12
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 1.828 0.930 -1.758
3 1HB HIS 1 1HB HIS 1 3.767 -0.496 -0.022
4 2HB HIS 1 2HB HIS 1 4.076 -0.590 -1.744
5 HD1 HIS 1 HD1 HIS 1 3.470 2.076 0.938
6 HD2 HIS 1 HD2 HIS 1 5.343 1.612 -2.787
7 HE1 HIS 1 HE1 HIS 1 4.726 4.252 0.493
8 H LYS 2 H LYS 2 3.017 -0.703 -3.554
9 HA LYS 2 HA LYS 2 0.879 -2.428 -4.274
10 1HB LYS 2 1HB LYS 2 3.132 -1.179 -5.532
11 2HB LYS 2 2HB LYS 2 3.190 -2.895 -5.881
12 1HG LYS 2 1HG LYS 2 0.657 -1.223 -6.205
13 2HG LYS 2 2HG LYS 2 1.804 -1.476 -7.507
14 1HD LYS 2 1HD LYS 2 1.131 -4.026 -6.240
15 2HD LYS 2 2HD LYS 2 -0.328 -3.192 -6.738
16 1HE LYS 2 1HE LYS 2 2.034 -3.421 -8.637
17 2HE LYS 2 2HE LYS 2 0.901 -4.747 -8.469
18 1HZ LYS 2 1HZ LYS 2 0.519 -2.672 -10.128
19 2HZ LYS 2 2HZ LYS 2 -0.704 -3.578 -9.549
20 H THR 3 H THR 3 3.705 -2.737 -2.292
21 HA THR 3 HA THR 3 4.126 -5.527 -2.751
22 HB THR 3 HB THR 3 4.984 -3.673 -0.466
23 HG1 THR 3 HG1 THR 3 6.921 -3.645 -1.959
24 1HG2 THR 3 1HG2 THR 3 5.424 -6.497 -0.958
25 2HG2 THR 3 2HG2 THR 3 6.947 -5.625 -1.256
26 3HG2 THR 3 3HG2 THR 3 6.133 -5.482 0.321
27 H ASP 4 H ASP 4 1.988 -3.581 -0.716
28 HA ASP 4 HA ASP 4 1.469 -5.583 1.150
29 1HB ASP 4 1HB ASP 4 0.859 -3.311 1.670
30 2HB ASP 4 2HB ASP 4 -0.060 -3.136 0.188
31 HD2 ASP 4 HD2 ASP 4 -0.507 -5.840 2.465
32 H SER 5 H SER 5 0.276 -4.789 -2.115
33 HA SER 5 HA SER 5 -2.044 -6.383 -1.937
34 1HB SER 5 1HB SER 5 -1.185 -4.424 -3.643
35 2HB SER 5 2HB SER 5 -0.833 -5.839 -4.616
36 HG SER 5 HG SER 5 -2.920 -5.529 -5.152
37 H PHE 6 H PHE 6 1.348 -6.998 -2.396
38 HA PHE 6 HA PHE 6 1.066 -9.343 -3.981
39 1HB PHE 6 1HB PHE 6 3.081 -7.577 -3.011
40 2HB PHE 6 2HB PHE 6 3.431 -9.090 -2.197
41 HD1 PHE 6 HD1 PHE 6 3.028 -11.178 -4.033
42 HD2 PHE 6 HD2 PHE 6 4.416 -7.252 -4.849
43 HE1 PHE 6 HE1 PHE 6 4.192 -12.017 -6.092
44 HE2 PHE 6 HE2 PHE 6 5.581 -8.091 -6.908
45 HZ PHE 6 HZ PHE 6 5.455 -10.464 -7.505
46 H VAL 7 H VAL 7 0.684 -8.567 -0.591
47 HA VAL 7 HA VAL 7 1.434 -11.012 0.530
48 HB VAL 7 HB VAL 7 -0.525 -8.868 1.354
49 1HG1 VAL 7 1HG1 VAL 7 -1.122 -11.068 2.368
50 2HG1 VAL 7 2HG1 VAL 7 0.512 -11.147 3.071
51 3HG1 VAL 7 3HG1 VAL 7 -0.607 -9.852 3.562
52 1HG2 VAL 7 1HG2 VAL 7 1.906 -9.283 2.943
53 2HG2 VAL 7 2HG2 VAL 7 2.238 -8.845 1.250
54 3HG2 VAL 7 3HG2 VAL 7 1.222 -7.788 2.260
55 H GLY 8 H GLY 8 -1.190 -10.135 -1.565
56 1HA GLY 8 1HA GLY 8 -3.167 -11.939 -0.689
57 2HA GLY 8 2HA GLY 8 -3.012 -11.237 -2.287
58 H LEU 9 H LEU 9 -0.064 -12.429 -2.223
59 HA LEU 9 HA LEU 9 -0.722 -14.727 -3.716
60 1HB LEU 9 1HB LEU 9 1.322 -13.115 -3.794
61 2HB LEU 9 2HB LEU 9 1.994 -14.177 -2.572
62 HG LEU 9 HG LEU 9 0.948 -15.681 -4.843
63 1HD1 LEU 9 1HD1 LEU 9 1.750 -13.363 -5.803
64 2HD1 LEU 9 2HD1 LEU 9 3.365 -14.077 -5.579
65 3HD1 LEU 9 3HD1 LEU 9 2.168 -14.891 -6.615
66 1HD2 LEU 9 1HD2 LEU 9 3.834 -15.727 -4.281
67 2HD2 LEU 9 2HD2 LEU 9 2.803 -16.050 -2.866
68 3HD2 LEU 9 3HD2 LEU 9 2.645 -17.050 -4.330
69 H MET 10 H MET 10 -0.334 -14.088 -0.309
70 HA MET 10 HA MET 10 0.416 -16.739 0.357
71 1HB MET 10 1HB MET 10 0.936 -14.724 1.772
72 2HB MET 10 2HB MET 10 -0.777 -14.455 2.028
73 1HG MET 10 1HG MET 10 -0.424 -17.147 2.771
74 2HG MET 10 2HG MET 10 1.032 -16.369 3.360
75 1HE MET 10 1HE MET 10 -3.244 -15.904 4.729
76 2HE MET 10 2HE MET 10 -2.614 -16.711 3.272
77 3HE MET 10 3HE MET 10 -2.277 -17.390 4.882
Start of MODEL 13
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 3.104 -0.246 -0.991
3 1HB HIS 1 1HB HIS 1 0.568 -1.405 -1.854
4 2HB HIS 1 2HB HIS 1 1.428 -0.656 -3.185
5 HD1 HIS 1 HD1 HIS 1 3.041 -2.170 -4.333
6 HD2 HIS 1 HD2 HIS 1 2.476 -3.237 -0.316
7 HE1 HIS 1 HE1 HIS 1 4.425 -4.279 -3.952
8 H LYS 2 H LYS 2 3.167 0.766 -3.466
9 HA LYS 2 HA LYS 2 2.706 3.577 -2.972
10 1HB LYS 2 1HB LYS 2 4.701 2.089 -4.248
11 2HB LYS 2 2HB LYS 2 3.853 2.882 -5.560
12 1HG LYS 2 1HG LYS 2 4.015 5.054 -4.135
13 2HG LYS 2 2HG LYS 2 5.164 4.183 -3.139
14 1HD LYS 2 1HD LYS 2 6.826 4.447 -4.668
15 2HD LYS 2 2HD LYS 2 5.820 3.837 -5.967
16 1HE LYS 2 1HE LYS 2 4.666 6.164 -5.963
17 2HE LYS 2 2HE LYS 2 5.981 6.700 -4.935
18 1HZ LYS 2 1HZ LYS 2 6.644 5.305 -7.439
19 2HZ LYS 2 2HZ LYS 2 6.204 6.871 -7.516
20 H THR 3 H THR 3 0.648 1.242 -3.759
21 HA THR 3 HA THR 3 -0.460 2.418 -6.170
22 HB THR 3 HB THR 3 -1.439 0.122 -4.393
23 HG1 THR 3 HG1 THR 3 -0.172 -1.102 -5.976
24 1HG2 THR 3 1HG2 THR 3 -2.201 -0.614 -6.820
25 2HG2 THR 3 2HG2 THR 3 -3.205 0.553 -5.926
26 3HG2 THR 3 3HG2 THR 3 -2.088 1.124 -7.189
27 H ASP 4 H ASP 4 -0.903 2.526 -2.665
28 HA ASP 4 HA ASP 4 -3.514 3.584 -2.845
29 1HB ASP 4 1HB ASP 4 -2.822 2.447 -0.811
30 2HB ASP 4 2HB ASP 4 -1.420 3.484 -0.634
31 HD2 ASP 4 HD2 ASP 4 -3.151 5.710 1.307
32 H SER 5 H SER 5 -0.187 4.787 -2.968
33 HA SER 5 HA SER 5 -0.820 7.443 -2.248
34 1HB SER 5 1HB SER 5 1.576 5.996 -3.354
35 2HB SER 5 2HB SER 5 1.538 7.740 -3.513
36 HG SER 5 HG SER 5 2.119 6.243 -1.308
37 H PHE 6 H PHE 6 -1.071 5.495 -5.142
38 HA PHE 6 HA PHE 6 -0.863 7.617 -7.011
39 1HB PHE 6 1HB PHE 6 -1.623 4.712 -6.841
40 2HB PHE 6 2HB PHE 6 -2.389 5.575 -8.160
41 HD1 PHE 6 HD1 PHE 6 1.042 5.876 -6.721
42 HD2 PHE 6 HD2 PHE 6 -1.329 4.920 -10.108
43 HE1 PHE 6 HE1 PHE 6 3.121 5.609 -8.102
44 HE2 PHE 6 HE2 PHE 6 0.750 4.653 -11.488
45 HZ PHE 6 HZ PHE 6 2.950 5.000 -10.469
46 H VAL 7 H VAL 7 -3.346 6.513 -4.816
47 HA VAL 7 HA VAL 7 -5.606 7.240 -6.307
48 HB VAL 7 HB VAL 7 -5.079 7.049 -3.337
49 1HG1 VAL 7 1HG1 VAL 7 -7.799 7.082 -4.672
50 2HG1 VAL 7 2HG1 VAL 7 -7.421 7.141 -2.934
51 3HG1 VAL 7 3HG1 VAL 7 -7.041 8.534 -3.975
52 1HG2 VAL 7 1HG2 VAL 7 -4.850 4.886 -4.086
53 2HG2 VAL 7 2HG2 VAL 7 -6.609 4.941 -3.821
54 3HG2 VAL 7 3HG2 VAL 7 -5.950 5.126 -5.464
55 H GLY 8 H GLY 8 -3.099 9.091 -4.727
56 1HA GLY 8 1HA GLY 8 -4.484 11.418 -4.045
57 2HA GLY 8 2HA GLY 8 -2.786 11.300 -4.464
58 H LEU 9 H LEU 9 -3.812 9.998 -7.171
59 HA LEU 9 HA LEU 9 -3.902 12.537 -8.544
60 1HB LEU 9 1HB LEU 9 -2.876 9.965 -9.063
61 2HB LEU 9 2HB LEU 9 -4.147 10.224 -10.241
62 HG LEU 9 HG LEU 9 -2.434 12.568 -10.004
63 1HD1 LEU 9 1HD1 LEU 9 -0.471 11.538 -9.682
64 2HD1 LEU 9 2HD1 LEU 9 -1.127 9.934 -10.090
65 3HD1 LEU 9 3HD1 LEU 9 -0.631 11.049 -11.386
66 1HD2 LEU 9 1HD2 LEU 9 -2.181 11.666 -12.559
67 2HD2 LEU 9 2HD2 LEU 9 -3.715 10.906 -12.075
68 3HD2 LEU 9 3HD2 LEU 9 -3.523 12.672 -11.964
69 H MET 10 H MET 10 -6.168 10.988 -6.858
70 HA MET 10 HA MET 10 -8.185 10.601 -8.776
71 1HB MET 10 1HB MET 10 -8.134 9.527 -6.502
72 2HB MET 10 2HB MET 10 -8.313 11.099 -5.749
73 1HG MET 10 1HG MET 10 -10.558 11.353 -6.499
74 2HG MET 10 2HG MET 10 -10.369 10.172 -7.780
75 1HE MET 10 1HE MET 10 -11.054 7.450 -7.316
76 2HE MET 10 2HE MET 10 -12.470 7.657 -6.258
77 3HE MET 10 3HE MET 10 -12.132 8.849 -7.536
Start of MODEL 14
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 1.566 0.694 -1.915
3 1HB HIS 1 1HB HIS 1 3.662 0.651 0.044
4 2HB HIS 1 2HB HIS 1 4.204 -0.233 -1.368
5 HD1 HIS 1 HD1 HIS 1 5.915 1.757 -1.794
6 HD2 HIS 1 HD2 HIS 1 1.860 2.774 -2.141
7 HE1 HIS 1 HE1 HIS 1 5.843 4.013 -2.984
8 H LYS 2 H LYS 2 3.327 -0.816 -3.362
9 HA LYS 2 HA LYS 2 1.889 -3.321 -3.505
10 1HB LYS 2 1HB LYS 2 3.163 -1.546 -5.354
11 2HB LYS 2 2HB LYS 2 3.940 -3.111 -5.482
12 1HG LYS 2 1HG LYS 2 0.908 -2.778 -5.477
13 2HG LYS 2 2HG LYS 2 1.857 -2.760 -6.950
14 1HD LYS 2 1HD LYS 2 2.849 -5.043 -5.897
15 2HD LYS 2 2HD LYS 2 1.302 -5.049 -5.073
16 1HE LYS 2 1HE LYS 2 0.431 -4.469 -7.586
17 2HE LYS 2 2HE LYS 2 1.896 -5.335 -8.004
18 1HZ LYS 2 1HZ LYS 2 0.871 -7.248 -7.479
19 2HZ LYS 2 2HZ LYS 2 0.527 -6.745 -5.969
20 H THR 3 H THR 3 4.161 -2.348 -1.461
21 HA THR 3 HA THR 3 6.083 -4.483 -1.895
22 HB THR 3 HB THR 3 5.835 -2.366 0.307
23 HG1 THR 3 HG1 THR 3 6.054 -1.779 -2.107
24 1HG2 THR 3 1HG2 THR 3 7.818 -4.493 -0.357
25 2HG2 THR 3 2HG2 THR 3 8.518 -2.867 -0.179
26 3HG2 THR 3 3HG2 THR 3 7.597 -3.591 1.161
27 H ASP 4 H ASP 4 3.195 -3.780 0.019
28 HA ASP 4 HA ASP 4 3.749 -5.879 1.854
29 1HB ASP 4 1HB ASP 4 2.057 -3.657 1.795
30 2HB ASP 4 2HB ASP 4 0.934 -4.984 1.572
31 HD2 ASP 4 HD2 ASP 4 0.058 -4.666 3.501
32 H SER 5 H SER 5 2.261 -5.444 -1.304
33 HA SER 5 HA SER 5 0.500 -7.626 -1.171
34 1HB SER 5 1HB SER 5 0.658 -5.559 -2.836
35 2HB SER 5 2HB SER 5 1.685 -6.631 -3.768
36 HG SER 5 HG SER 5 -1.099 -6.845 -3.172
37 H PHE 6 H PHE 6 3.931 -7.341 -1.411
38 HA PHE 6 HA PHE 6 4.390 -9.639 -3.023
39 1HB PHE 6 1HB PHE 6 5.798 -7.437 -1.886
40 2HB PHE 6 2HB PHE 6 6.465 -8.828 -1.054
41 HD1 PHE 6 HD1 PHE 6 6.529 -6.885 -4.038
42 HD2 PHE 6 HD2 PHE 6 7.368 -10.749 -2.497
43 HE1 PHE 6 HE1 PHE 6 8.025 -7.343 -6.001
44 HE2 PHE 6 HE2 PHE 6 8.864 -11.207 -4.460
45 HZ PHE 6 HZ PHE 6 9.174 -9.499 -6.189
46 H VAL 7 H VAL 7 3.261 -9.203 0.177
47 HA VAL 7 HA VAL 7 4.633 -11.303 1.460
48 HB VAL 7 HB VAL 7 1.973 -9.967 1.991
49 1HG1 VAL 7 1HG1 VAL 7 2.088 -12.207 3.034
50 2HG1 VAL 7 2HG1 VAL 7 3.604 -11.740 3.841
51 3HG1 VAL 7 3HG1 VAL 7 2.088 -10.898 4.241
52 1HG2 VAL 7 1HG2 VAL 7 3.170 -8.641 3.623
53 2HG2 VAL 7 2HG2 VAL 7 4.674 -9.542 3.312
54 3HG2 VAL 7 3HG2 VAL 7 3.985 -8.495 2.047
55 H GLY 8 H GLY 8 2.064 -11.166 -0.913
56 1HA GLY 8 1HA GLY 8 0.841 -13.665 -0.279
57 2HA GLY 8 2HA GLY 8 0.667 -12.731 -1.752
58 H LEU 9 H LEU 9 3.871 -12.753 -1.724
59 HA LEU 9 HA LEU 9 4.083 -14.840 -3.604
60 1HB LEU 9 1HB LEU 9 5.409 -12.625 -3.309
61 2HB LEU 9 2HB LEU 9 6.414 -13.558 -2.218
62 HG LEU 9 HG LEU 9 6.205 -15.144 -4.525
63 1HD1 LEU 9 1HD1 LEU 9 5.318 -13.332 -5.826
64 2HD1 LEU 9 2HD1 LEU 9 6.589 -12.228 -5.248
65 3HD1 LEU 9 3HD1 LEU 9 7.012 -13.597 -6.304
66 1HD2 LEU 9 1HD2 LEU 9 8.173 -15.102 -3.199
67 2HD2 LEU 9 2HD2 LEU 9 8.625 -14.485 -4.806
68 3HD2 LEU 9 3HD2 LEU 9 8.393 -13.354 -3.451
69 H MET 10 H MET 10 4.041 -14.787 -0.159
70 HA MET 10 HA MET 10 5.826 -16.922 0.255
71 1HB MET 10 1HB MET 10 4.781 -15.084 1.889
72 2HB MET 10 2HB MET 10 3.482 -16.245 2.079
73 1HG MET 10 1HG MET 10 6.400 -17.037 2.466
74 2HG MET 10 2HG MET 10 5.448 -16.370 3.777
75 1HE MET 10 1HE MET 10 3.075 -17.373 4.482
76 2HE MET 10 2HE MET 10 3.212 -19.088 4.939
77 3HE MET 10 3HE MET 10 4.474 -17.932 5.429
Start of MODEL 15
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 1.430 0.457 -1.997
3 1HB HIS 1 1HB HIS 1 3.519 1.065 -0.069
4 2HB HIS 1 2HB HIS 1 4.185 0.295 -1.495
5 HD1 HIS 1 HD1 HIS 1 3.490 3.545 -0.257
6 HD2 HIS 1 HD2 HIS 1 2.965 1.689 -3.982
7 HE1 HIS 1 HE1 HIS 1 3.292 5.425 -1.971
8 H LYS 2 H LYS 2 3.707 -0.793 -3.094
9 HA LYS 2 HA LYS 2 2.732 -3.446 -3.301
10 1HB LYS 2 1HB LYS 2 4.980 -1.861 -4.499
11 2HB LYS 2 2HB LYS 2 5.002 -3.606 -4.649
12 1HG LYS 2 1HG LYS 2 2.877 -3.643 -5.794
13 2HG LYS 2 2HG LYS 2 2.523 -1.984 -5.354
14 1HD LYS 2 1HD LYS 2 3.340 -1.460 -7.421
15 2HD LYS 2 2HD LYS 2 4.919 -1.661 -6.689
16 1HE LYS 2 1HE LYS 2 3.973 -4.286 -7.394
17 2HE LYS 2 2HE LYS 2 3.688 -3.247 -8.776
18 1HZ LYS 2 1HZ LYS 2 5.918 -2.946 -9.084
19 2HZ LYS 2 2HZ LYS 2 6.289 -2.949 -7.498
20 H THR 3 H THR 3 4.957 -1.802 -1.177
21 HA THR 3 HA THR 3 6.569 -4.062 -0.550
22 HB THR 3 HB THR 3 5.991 -1.446 0.940
23 HG1 THR 3 HG1 THR 3 8.077 -2.408 -0.891
24 1HG2 THR 3 1HG2 THR 3 7.372 -3.631 1.942
25 2HG2 THR 3 2HG2 THR 3 8.661 -2.771 1.067
26 3HG2 THR 3 3HG2 THR 3 7.751 -1.940 2.352
27 H ASP 4 H ASP 4 3.395 -2.895 0.482
28 HA ASP 4 HA ASP 4 3.427 -4.562 2.795
29 1HB ASP 4 1HB ASP 4 1.618 -2.566 1.536
30 2HB ASP 4 2HB ASP 4 0.770 -3.874 2.337
31 HD2 ASP 4 HD2 ASP 4 0.839 -2.049 5.106
32 H SER 5 H SER 5 2.718 -4.798 -0.615
33 HA SER 5 HA SER 5 0.701 -6.738 -0.476
34 1HB SER 5 1HB SER 5 2.488 -5.584 -2.581
35 2HB SER 5 2HB SER 5 1.815 -7.164 -2.930
36 HG SER 5 HG SER 5 -0.298 -5.968 -2.098
37 H PHE 6 H PHE 6 3.954 -6.839 0.434
38 HA PHE 6 HA PHE 6 4.911 -9.201 -0.601
39 1HB PHE 6 1HB PHE 6 5.653 -7.238 1.230
40 2HB PHE 6 2HB PHE 6 5.357 -8.582 2.315
41 HD1 PHE 6 HD1 PHE 6 7.691 -7.066 0.106
42 HD2 PHE 6 HD2 PHE 6 6.581 -10.793 1.805
43 HE1 PHE 6 HE1 PHE 6 9.976 -7.976 -0.397
44 HE2 PHE 6 HE2 PHE 6 8.865 -11.703 1.303
45 HZ PHE 6 HZ PHE 6 10.536 -10.284 0.207
46 H VAL 7 H VAL 7 2.236 -8.683 1.556
47 HA VAL 7 HA VAL 7 2.355 -10.974 3.118
48 HB VAL 7 HB VAL 7 -0.154 -10.665 3.193
49 1HG1 VAL 7 1HG1 VAL 7 1.687 -8.326 3.782
50 2HG1 VAL 7 2HG1 VAL 7 0.016 -8.461 4.380
51 3HG1 VAL 7 3HG1 VAL 7 1.238 -9.657 4.876
52 1HG2 VAL 7 1HG2 VAL 7 -0.217 -9.637 0.850
53 2HG2 VAL 7 2HG2 VAL 7 -1.193 -8.840 2.107
54 3HG2 VAL 7 3HG2 VAL 7 0.365 -8.138 1.612
55 H GLY 8 H GLY 8 1.776 -10.534 -0.308
56 1HA GLY 8 1HA GLY 8 0.188 -12.761 -0.874
57 2HA GLY 8 2HA GLY 8 1.320 -11.983 -1.962
58 H LEU 9 H LEU 9 3.483 -12.538 0.288
59 HA LEU 9 HA LEU 9 4.242 -15.085 -0.843
60 1HB LEU 9 1HB LEU 9 5.568 -12.782 0.104
61 2HB LEU 9 2HB LEU 9 6.021 -14.085 1.184
62 HG LEU 9 HG LEU 9 6.151 -14.822 -1.662
63 1HD1 LEU 9 1HD1 LEU 9 6.782 -12.398 -1.737
64 2HD1 LEU 9 2HD1 LEU 9 8.140 -12.777 -0.650
65 3HD1 LEU 9 3HD1 LEU 9 8.060 -13.520 -2.265
66 1HD2 LEU 9 1HD2 LEU 9 7.301 -16.399 -0.582
67 2HD2 LEU 9 2HD2 LEU 9 8.628 -15.215 -0.513
68 3HD2 LEU 9 3HD2 LEU 9 7.513 -15.383 0.864
69 H MET 10 H MET 10 2.683 -13.798 2.011
70 HA MET 10 HA MET 10 3.411 -15.951 3.695
71 1HB MET 10 1HB MET 10 1.953 -13.436 3.837
72 2HB MET 10 2HB MET 10 0.938 -14.688 4.523
73 1HG MET 10 1HG MET 10 2.737 -15.362 6.077
74 2HG MET 10 2HG MET 10 3.852 -14.235 5.330
75 1HE MET 10 1HE MET 10 3.379 -12.287 8.559
76 2HE MET 10 2HE MET 10 3.981 -13.880 8.043
77 3HE MET 10 3HE MET 10 4.442 -12.419 7.138
Start of MODEL 16
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 1.365 -0.249 -2.036
3 1HB HIS 1 1HB HIS 1 3.057 1.396 -2.547
4 2HB HIS 1 2HB HIS 1 1.813 2.111 -1.541
5 HD1 HIS 1 HD1 HIS 1 2.476 2.300 1.127
6 HD2 HIS 1 HD2 HIS 1 5.615 1.713 -1.593
7 HE1 HIS 1 HE1 HIS 1 4.615 2.967 2.348
8 H LYS 2 H LYS 2 4.515 0.182 -2.095
9 HA LYS 2 HA LYS 2 5.088 -2.591 -2.103
10 1HB LYS 2 1HB LYS 2 6.082 -0.847 -3.621
11 2HB LYS 2 2HB LYS 2 7.019 -0.261 -2.261
12 1HG LYS 2 1HG LYS 2 7.522 -2.989 -2.145
13 2HG LYS 2 2HG LYS 2 7.369 -2.736 -3.872
14 1HD LYS 2 1HD LYS 2 9.334 -1.575 -4.000
15 2HD LYS 2 2HD LYS 2 8.974 -0.626 -2.571
16 1HE LYS 2 1HE LYS 2 9.589 -2.625 -1.141
17 2HE LYS 2 2HE LYS 2 10.046 -3.488 -2.596
18 1HZ LYS 2 1HZ LYS 2 11.949 -2.286 -2.765
19 2HZ LYS 2 2HZ LYS 2 11.260 -0.871 -2.346
20 H THR 3 H THR 3 4.716 -0.365 0.416
21 HA THR 3 HA THR 3 6.857 -1.318 2.078
22 HB THR 3 HB THR 3 4.439 0.513 2.396
23 HG1 THR 3 HG1 THR 3 6.438 1.227 1.327
24 1HG2 THR 3 1HG2 THR 3 5.223 -0.879 4.565
25 2HG2 THR 3 2HG2 THR 3 6.579 0.272 4.517
26 3HG2 THR 3 3HG2 THR 3 4.909 0.870 4.668
27 H ASP 4 H ASP 4 3.471 -2.177 1.445
28 HA ASP 4 HA ASP 4 3.318 -3.771 3.790
29 1HB ASP 4 1HB ASP 4 1.459 -2.633 2.152
30 2HB ASP 4 2HB ASP 4 1.483 -4.243 1.458
31 HD2 ASP 4 HD2 ASP 4 -0.456 -2.761 3.901
32 H SER 5 H SER 5 4.519 -4.055 0.515
33 HA SER 5 HA SER 5 4.105 -6.820 0.211
34 1HB SER 5 1HB SER 5 5.408 -4.624 -1.259
35 2HB SER 5 2HB SER 5 6.289 -6.131 -1.409
36 HG SER 5 HG SER 5 3.902 -6.985 -1.806
37 H PHE 6 H PHE 6 6.390 -4.837 1.966
38 HA PHE 6 HA PHE 6 8.546 -6.674 1.950
39 1HB PHE 6 1HB PHE 6 7.630 -4.150 3.320
40 2HB PHE 6 2HB PHE 6 8.775 -5.105 4.241
41 HD1 PHE 6 HD1 PHE 6 10.719 -6.076 2.447
42 HD2 PHE 6 HD2 PHE 6 8.644 -2.378 2.270
43 HE1 PHE 6 HE1 PHE 6 12.609 -5.078 1.132
44 HE2 PHE 6 HE2 PHE 6 10.535 -1.380 0.955
45 HZ PHE 6 HZ PHE 6 12.495 -2.742 0.402
46 H VAL 7 H VAL 7 5.493 -6.494 3.643
47 HA VAL 7 HA VAL 7 6.220 -7.734 6.039
48 HB VAL 7 HB VAL 7 3.631 -7.693 4.478
49 1HG1 VAL 7 1HG1 VAL 7 4.351 -9.211 6.824
50 2HG1 VAL 7 2HG1 VAL 7 3.120 -7.995 7.243
51 3HG1 VAL 7 3HG1 VAL 7 2.807 -9.164 5.938
52 1HG2 VAL 7 1HG2 VAL 7 3.853 -5.498 5.028
53 2HG2 VAL 7 2HG2 VAL 7 3.215 -6.068 6.589
54 3HG2 VAL 7 3HG2 VAL 7 4.966 -5.831 6.376
55 H GLY 8 H GLY 8 5.993 -8.907 2.756
56 1HA GLY 8 1HA GLY 8 5.369 -11.606 3.234
57 2HA GLY 8 2HA GLY 8 6.218 -10.951 1.849
58 H LEU 9 H LEU 9 8.201 -9.701 3.993
59 HA LEU 9 HA LEU 9 10.126 -11.745 3.734
60 1HB LEU 9 1HB LEU 9 10.157 -9.056 4.146
61 2HB LEU 9 2HB LEU 9 10.560 -9.638 5.749
62 HG LEU 9 HG LEU 9 12.567 -9.160 4.468
63 1HD1 LEU 9 1HD1 LEU 9 13.773 -11.211 4.839
64 2HD1 LEU 9 2HD1 LEU 9 12.568 -11.003 6.133
65 3HD1 LEU 9 3HD1 LEU 9 12.264 -12.154 4.810
66 1HD2 LEU 9 1HD2 LEU 9 12.581 -11.309 2.574
67 2HD2 LEU 9 2HD2 LEU 9 11.130 -10.311 2.315
68 3HD2 LEU 9 3HD2 LEU 9 12.743 -9.559 2.296
69 H MET 10 H MET 10 7.584 -11.078 6.039
70 HA MET 10 HA MET 10 8.829 -12.431 8.189
71 1HB MET 10 1HB MET 10 7.064 -10.707 8.526
72 2HB MET 10 2HB MET 10 5.919 -11.656 7.599
73 1HG MET 10 1HG MET 10 7.079 -13.254 9.772
74 2HG MET 10 2HG MET 10 6.356 -11.785 10.396
75 1HE MET 10 1HE MET 10 3.261 -13.159 11.212
76 2HE MET 10 2HE MET 10 4.611 -12.018 11.414
77 3HE MET 10 3HE MET 10 3.251 -11.607 10.342
Start of MODEL 17
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 1.852 -0.944 -1.743
3 1HB HIS 1 1HB HIS 1 2.030 2.071 -1.810
4 2HB HIS 1 2HB HIS 1 1.994 0.959 -3.164
5 HD1 HIS 1 HD1 HIS 1 -0.248 2.558 -0.576
6 HD2 HIS 1 HD2 HIS 1 -0.564 0.094 -3.956
7 HE1 HIS 1 HE1 HIS 1 -2.730 2.459 -1.159
8 H LYS 2 H LYS 2 3.958 0.853 -2.806
9 HA LYS 2 HA LYS 2 6.090 -0.138 -1.120
10 1HB LYS 2 1HB LYS 2 5.749 0.643 -3.936
11 2HB LYS 2 2HB LYS 2 7.261 1.187 -3.238
12 1HG LYS 2 1HG LYS 2 8.107 -0.925 -3.189
13 2HG LYS 2 2HG LYS 2 6.676 -1.558 -2.400
14 1HD LYS 2 1HD LYS 2 6.843 -2.672 -4.538
15 2HD LYS 2 2HD LYS 2 5.503 -1.549 -4.657
16 1HE LYS 2 1HE LYS 2 6.710 -0.035 -6.023
17 2HE LYS 2 2HE LYS 2 8.268 -0.629 -5.484
18 1HZ LYS 2 1HZ LYS 2 6.387 -2.014 -7.311
19 2HZ LYS 2 2HZ LYS 2 7.898 -1.509 -7.652
20 H THR 3 H THR 3 4.101 2.358 -0.729
21 HA THR 3 HA THR 3 6.034 4.491 -0.484
22 HB THR 3 HB THR 3 3.095 4.295 0.361
23 HG1 THR 3 HG1 THR 3 2.984 5.417 -1.828
24 1HG2 THR 3 1HG2 THR 3 3.836 6.859 -0.654
25 2HG2 THR 3 2HG2 THR 3 3.393 6.462 1.024
26 3HG2 THR 3 3HG2 THR 3 5.099 6.415 0.518
27 H ASP 4 H ASP 4 4.604 1.969 1.538
28 HA ASP 4 HA ASP 4 5.083 3.186 3.979
29 1HB ASP 4 1HB ASP 4 3.943 0.834 3.132
30 2HB ASP 4 2HB ASP 4 5.454 0.222 3.775
31 HD2 ASP 4 HD2 ASP 4 2.278 0.923 5.226
32 H SER 5 H SER 5 7.090 1.296 1.690
33 HA SER 5 HA SER 5 9.176 0.770 3.472
34 1HB SER 5 1HB SER 5 10.438 0.119 1.485
35 2HB SER 5 2HB SER 5 8.792 -0.463 1.337
36 HG SER 5 HG SER 5 8.343 1.484 0.020
37 H PHE 6 H PHE 6 8.301 3.520 1.380
38 HA PHE 6 HA PHE 6 10.761 4.788 1.263
39 1HB PHE 6 1HB PHE 6 8.122 5.177 0.432
40 2HB PHE 6 2HB PHE 6 8.265 6.424 1.655
41 HD1 PHE 6 HD1 PHE 6 9.496 8.410 1.240
42 HD2 PHE 6 HD2 PHE 6 9.682 5.200 -1.529
43 HE1 PHE 6 HE1 PHE 6 10.631 9.910 -0.423
44 HE2 PHE 6 HE2 PHE 6 10.817 6.699 -3.191
45 HZ PHE 6 HZ PHE 6 11.277 9.036 -2.618
46 H VAL 7 H VAL 7 8.569 4.311 3.951
47 HA VAL 7 HA VAL 7 9.411 6.608 5.419
48 HB VAL 7 HB VAL 7 7.907 4.087 6.127
49 1HG1 VAL 7 1HG1 VAL 7 7.324 5.924 8.106
50 2HG1 VAL 7 2HG1 VAL 7 8.423 4.533 8.267
51 3HG1 VAL 7 3HG1 VAL 7 9.075 6.141 7.870
52 1HG2 VAL 7 1HG2 VAL 7 6.157 6.119 6.466
53 2HG2 VAL 7 2HG2 VAL 7 7.173 6.804 5.174
54 3HG2 VAL 7 3HG2 VAL 7 6.359 5.239 4.932
55 H GLY 8 H GLY 8 10.665 3.403 4.772
56 1HA GLY 8 1HA GLY 8 12.198 3.075 7.138
57 2HA GLY 8 2HA GLY 8 12.405 2.242 5.610
58 H LEU 9 H LEU 9 12.499 5.160 4.350
59 HA LEU 9 HA LEU 9 15.328 5.266 4.286
60 1HB LEU 9 1HB LEU 9 13.463 5.946 2.554
61 2HB LEU 9 2HB LEU 9 13.584 7.504 3.348
62 HG LEU 9 HG LEU 9 15.899 6.028 2.063
63 1HD1 LEU 9 1HD1 LEU 9 14.457 8.479 1.026
64 2HD1 LEU 9 2HD1 LEU 9 15.739 7.541 0.224
65 3HD1 LEU 9 3HD1 LEU 9 14.131 6.820 0.471
66 1HD2 LEU 9 1HD2 LEU 9 17.089 7.353 3.433
67 2HD2 LEU 9 2HD2 LEU 9 16.677 8.626 2.259
68 3HD2 LEU 9 3HD2 LEU 9 15.719 8.444 3.748
69 H MET 10 H MET 10 12.852 6.600 6.366
70 HA MET 10 HA MET 10 14.364 8.832 7.199
71 1HB MET 10 1HB MET 10 11.756 7.617 7.685
72 2HB MET 10 2HB MET 10 12.491 7.989 9.231
73 1HG MET 10 1HG MET 10 12.772 10.154 7.205
74 2HG MET 10 2HG MET 10 11.114 9.810 7.657
75 1HE MET 10 1HE MET 10 14.365 11.778 8.917
76 2HE MET 10 2HE MET 10 12.974 12.258 7.915
77 3HE MET 10 3HE MET 10 13.121 12.863 9.583
Start of MODEL 18
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 1.892 -0.965 -1.719
3 1HB HIS 1 1HB HIS 1 0.888 1.747 -1.636
4 2HB HIS 1 2HB HIS 1 2.399 1.695 -2.522
5 HD1 HIS 1 HD1 HIS 1 -1.185 0.978 -2.855
6 HD2 HIS 1 HD2 HIS 1 2.350 -0.225 -4.766
7 HE1 HIS 1 HE1 HIS 1 -1.890 -0.050 -5.082
8 H LYS 2 H LYS 2 3.188 1.456 0.586
9 HA LYS 2 HA LYS 2 5.863 1.083 -0.448
10 1HB LYS 2 1HB LYS 2 4.458 3.091 1.053
11 2HB LYS 2 2HB LYS 2 5.853 2.572 1.977
12 1HG LYS 2 1HG LYS 2 6.938 4.109 0.645
13 2HG LYS 2 2HG LYS 2 7.039 2.748 -0.455
14 1HD LYS 2 1HD LYS 2 6.166 4.478 -1.816
15 2HD LYS 2 2HD LYS 2 4.742 3.550 -1.388
16 1HE LYS 2 1HE LYS 2 5.491 5.766 0.494
17 2HE LYS 2 2HE LYS 2 4.906 6.257 -1.084
18 1HZ LYS 2 1HZ LYS 2 3.157 4.295 -0.318
19 2HZ LYS 2 2HZ LYS 2 3.429 5.092 1.076
20 H THR 3 H THR 3 3.936 -0.960 1.103
21 HA THR 3 HA THR 3 5.734 -1.630 3.295
22 HB THR 3 HB THR 3 3.106 -2.894 2.355
23 HG1 THR 3 HG1 THR 3 2.221 -1.343 3.793
24 1HG2 THR 3 1HG2 THR 3 3.621 -2.888 5.217
25 2HG2 THR 3 2HG2 THR 3 3.332 -4.285 4.152
26 3HG2 THR 3 3HG2 THR 3 4.986 -3.667 4.381
27 H ASP 4 H ASP 4 4.946 -2.612 -0.009
28 HA ASP 4 HA ASP 4 6.281 -5.112 0.316
29 1HB ASP 4 1HB ASP 4 4.328 -4.482 -1.318
30 2HB ASP 4 2HB ASP 4 5.576 -3.769 -2.321
31 HD2 ASP 4 HD2 ASP 4 3.974 -5.853 -3.057
32 H SER 5 H SER 5 7.060 -1.786 -0.367
33 HA SER 5 HA SER 5 9.281 -2.279 -2.039
34 1HB SER 5 1HB SER 5 8.004 0.060 -0.715
35 2HB SER 5 2HB SER 5 9.732 0.220 -0.958
36 HG SER 5 HG SER 5 9.007 0.917 -2.892
37 H PHE 6 H PHE 6 8.713 -3.004 1.183
38 HA PHE 6 HA PHE 6 11.115 -2.117 2.373
39 1HB PHE 6 1HB PHE 6 8.777 -3.935 2.896
40 2HB PHE 6 2HB PHE 6 10.230 -4.372 3.772
41 HD1 PHE 6 HD1 PHE 6 11.442 -2.050 4.728
42 HD2 PHE 6 HD2 PHE 6 7.291 -2.723 4.156
43 HE1 PHE 6 HE1 PHE 6 10.921 -0.309 6.460
44 HE2 PHE 6 HE2 PHE 6 6.770 -0.983 5.888
45 HZ PHE 6 HZ PHE 6 8.591 0.203 7.020
46 H VAL 7 H VAL 7 10.600 -4.362 -0.089
47 HA VAL 7 HA VAL 7 12.175 -6.520 0.703
48 HB VAL 7 HB VAL 7 12.419 -6.832 -1.793
49 1HG1 VAL 7 1HG1 VAL 7 9.914 -6.745 -0.209
50 2HG1 VAL 7 2HG1 VAL 7 9.709 -6.853 -1.974
51 3HG1 VAL 7 3HG1 VAL 7 10.660 -8.085 -1.111
52 1HG2 VAL 7 1HG2 VAL 7 11.331 -5.403 -3.321
53 2HG2 VAL 7 2HG2 VAL 7 10.468 -4.533 -2.029
54 3HG2 VAL 7 3HG2 VAL 7 12.222 -4.312 -2.233
55 H GLY 8 H GLY 8 12.971 -3.221 -0.162
56 1HA GLY 8 1HA GLY 8 15.636 -3.685 -1.049
57 2HA GLY 8 2HA GLY 8 14.930 -2.166 -0.535
58 H LEU 9 H LEU 9 14.063 -3.736 2.079
59 HA LEU 9 HA LEU 9 16.433 -2.982 3.523
60 1HB LEU 9 1HB LEU 9 13.717 -2.964 4.029
61 2HB LEU 9 2HB LEU 9 14.289 -4.301 5.007
62 HG LEU 9 HG LEU 9 16.091 -2.124 5.403
63 1HD1 LEU 9 1HD1 LEU 9 13.289 -1.291 5.035
64 2HD1 LEU 9 2HD1 LEU 9 14.037 -0.751 6.558
65 3HD1 LEU 9 3HD1 LEU 9 14.793 -0.339 5.000
66 1HD2 LEU 9 1HD2 LEU 9 16.006 -3.385 7.257
67 2HD2 LEU 9 2HD2 LEU 9 14.666 -2.308 7.718
68 3HD2 LEU 9 3HD2 LEU 9 14.322 -3.886 6.970
69 H MET 10 H MET 10 15.201 -5.801 1.965
70 HA MET 10 HA MET 10 16.564 -7.577 3.774
71 1HB MET 10 1HB MET 10 14.460 -7.731 1.742
72 2HB MET 10 2HB MET 10 15.692 -8.926 1.387
73 1HG MET 10 1HG MET 10 15.276 -10.145 3.324
74 2HG MET 10 2HG MET 10 14.846 -8.727 4.260
75 1HE MET 10 1HE MET 10 12.418 -11.848 3.177
76 2HE MET 10 2HE MET 10 13.802 -11.424 4.213
77 3HE MET 10 3HE MET 10 12.152 -10.978 4.707
Start of MODEL 19
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 1.340 0.043 -2.051
3 1HB HIS 1 1HB HIS 1 2.973 1.748 -0.382
4 2HB HIS 1 2HB HIS 1 3.977 0.938 -1.568
5 HD1 HIS 1 HD1 HIS 1 3.550 1.483 -4.101
6 HD2 HIS 1 HD2 HIS 1 1.153 3.643 -1.420
7 HE1 HIS 1 HE1 HIS 1 2.494 3.374 -5.449
8 H LYS 2 H LYS 2 3.296 -1.279 0.648
9 HA LYS 2 HA LYS 2 4.625 -3.097 -1.183
10 1HB LYS 2 1HB LYS 2 6.191 -3.397 0.448
11 2HB LYS 2 2HB LYS 2 5.629 -1.797 0.888
12 1HG LYS 2 1HG LYS 2 3.823 -3.352 2.268
13 2HG LYS 2 2HG LYS 2 5.226 -4.403 2.290
14 1HD LYS 2 1HD LYS 2 6.492 -2.134 2.979
15 2HD LYS 2 2HD LYS 2 4.888 -1.660 3.503
16 1HE LYS 2 1HE LYS 2 5.591 -2.701 5.451
17 2HE LYS 2 2HE LYS 2 4.914 -4.100 4.640
18 1HZ LYS 2 1HZ LYS 2 6.976 -4.969 4.309
19 2HZ LYS 2 2HZ LYS 2 7.683 -3.541 3.974
20 H THR 3 H THR 3 1.931 -2.942 1.094
21 HA THR 3 HA THR 3 1.721 -5.763 1.461
22 HB THR 3 HB THR 3 -0.318 -3.507 1.843
23 HG1 THR 3 HG1 THR 3 1.745 -4.790 3.493
24 1HG2 THR 3 1HG2 THR 3 -1.243 -4.982 3.586
25 2HG2 THR 3 2HG2 THR 3 -1.229 -5.871 2.044
26 3HG2 THR 3 3HG2 THR 3 0.019 -6.197 3.271
27 H ASP 4 H ASP 4 0.659 -3.458 -1.001
28 HA ASP 4 HA ASP 4 -1.240 -5.310 -2.051
29 1HB ASP 4 1HB ASP 4 -1.384 -2.749 -2.173
30 2HB ASP 4 2HB ASP 4 -0.092 -2.801 -3.355
31 HD2 ASP 4 HD2 ASP 4 -1.025 -2.784 -5.509
32 H SER 5 H SER 5 2.176 -4.580 -2.297
33 HA SER 5 HA SER 5 2.592 -5.360 -4.941
34 1HB SER 5 1HB SER 5 4.236 -4.777 -2.542
35 2HB SER 5 2HB SER 5 4.976 -5.928 -3.637
36 HG SER 5 HG SER 5 5.595 -4.149 -4.676
37 H PHE 6 H PHE 6 1.781 -7.120 -2.070
38 HA PHE 6 HA PHE 6 3.151 -9.514 -2.570
39 1HB PHE 6 1HB PHE 6 0.815 -8.457 -0.978
40 2HB PHE 6 2HB PHE 6 0.812 -10.191 -1.230
41 HD1 PHE 6 HD1 PHE 6 3.016 -7.441 -0.024
42 HD2 PHE 6 HD2 PHE 6 2.025 -11.561 0.201
43 HE1 PHE 6 HE1 PHE 6 4.619 -7.722 1.888
44 HE2 PHE 6 HE2 PHE 6 3.628 -11.842 2.113
45 HZ PHE 6 HZ PHE 6 4.905 -9.919 2.933
46 H VAL 7 H VAL 7 0.515 -7.985 -4.210
47 HA VAL 7 HA VAL 7 -0.946 -10.254 -4.974
48 HB VAL 7 HB VAL 7 -0.572 -7.609 -6.394
49 1HG1 VAL 7 1HG1 VAL 7 -1.865 -9.887 -7.300
50 2HG1 VAL 7 2HG1 VAL 7 -3.181 -8.924 -6.587
51 3HG1 VAL 7 3HG1 VAL 7 -2.154 -8.222 -7.860
52 1HG2 VAL 7 1HG2 VAL 7 -2.010 -6.613 -4.957
53 2HG2 VAL 7 2HG2 VAL 7 -2.985 -8.087 -4.741
54 3HG2 VAL 7 3HG2 VAL 7 -1.462 -7.888 -3.842
55 H GLY 8 H GLY 8 2.193 -9.008 -5.891
56 1HA GLY 8 1HA GLY 8 2.356 -10.049 -8.508
57 2HA GLY 8 2HA GLY 8 3.689 -9.636 -7.449
58 H LEU 9 H LEU 9 2.167 -11.606 -5.412
59 HA LEU 9 HA LEU 9 3.819 -13.838 -6.099
60 1HB LEU 9 1HB LEU 9 2.898 -12.744 -3.774
61 2HB LEU 9 2HB LEU 9 1.831 -14.123 -3.947
62 HG LEU 9 HG LEU 9 4.630 -14.827 -4.425
63 1HD1 LEU 9 1HD1 LEU 9 4.128 -14.233 -1.549
64 2HD1 LEU 9 2HD1 LEU 9 5.651 -14.275 -2.470
65 3HD1 LEU 9 3HD1 LEU 9 4.561 -12.875 -2.614
66 1HD2 LEU 9 1HD2 LEU 9 2.230 -15.891 -3.076
67 2HD2 LEU 9 2HD2 LEU 9 3.476 -16.717 -4.043
68 3HD2 LEU 9 3HD2 LEU 9 3.784 -16.339 -2.331
69 H MET 10 H MET 10 0.548 -12.790 -6.730
70 HA MET 10 HA MET 10 -0.429 -15.439 -7.127
71 1HB MET 10 1HB MET 10 -1.958 -13.649 -6.388
72 2HB MET 10 2HB MET 10 -1.512 -12.639 -7.750
73 1HG MET 10 1HG MET 10 -2.478 -15.291 -8.615
74 2HG MET 10 2HG MET 10 -3.673 -14.440 -7.656
75 1HE MET 10 1HE MET 10 -5.154 -14.469 -10.168
76 2HE MET 10 2HE MET 10 -4.273 -14.000 -11.643
77 3HE MET 10 3HE MET 10 -3.693 -15.363 -10.655
Start of MODEL 20
1 1H HIS 1 1H HIS 1 1.884 0.000 0.829
2 HA HIS 1 HA HIS 1 1.375 0.293 -2.030
3 1HB HIS 1 1HB HIS 1 3.299 1.408 -0.185
4 2HB HIS 1 2HB HIS 1 4.135 0.557 -1.469
5 HD1 HIS 1 HD1 HIS 1 4.382 3.600 -1.331
6 HD2 HIS 1 HD2 HIS 1 1.419 1.628 -3.551
7 HE1 HIS 1 HE1 HIS 1 3.623 5.244 -3.129
8 H LYS 2 H LYS 2 3.003 -1.720 0.456
9 HA LYS 2 HA LYS 2 4.013 -3.510 -1.573
10 1HB LYS 2 1HB LYS 2 5.144 -4.607 0.204
11 2HB LYS 2 2HB LYS 2 5.296 -2.886 0.492
12 1HG LYS 2 1HG LYS 2 2.977 -4.379 1.739
13 2HG LYS 2 2HG LYS 2 4.568 -4.531 2.459
14 1HD LYS 2 1HD LYS 2 4.453 -1.806 2.115
15 2HD LYS 2 2HD LYS 2 2.752 -2.159 2.350
16 1HE LYS 2 1HE LYS 2 3.136 -2.250 4.585
17 2HE LYS 2 2HE LYS 2 4.076 -3.706 4.322
18 1HZ LYS 2 1HZ LYS 2 6.040 -2.280 3.951
19 2HZ LYS 2 2HZ LYS 2 5.160 -0.939 4.237
20 H THR 3 H THR 3 1.238 -3.145 0.588
21 HA THR 3 HA THR 3 0.431 -5.874 0.467
22 HB THR 3 HB THR 3 -1.147 -3.328 1.110
23 HG1 THR 3 HG1 THR 3 -0.393 -4.096 3.320
24 1HG2 THR 3 1HG2 THR 3 -1.617 -5.761 2.699
25 2HG2 THR 3 2HG2 THR 3 -2.801 -4.709 1.887
26 3HG2 THR 3 3HG2 THR 3 -2.005 -6.019 0.981
27 H ASP 4 H ASP 4 0.058 -3.056 -1.634
28 HA ASP 4 HA ASP 4 -2.135 -4.156 -3.029
29 1HB ASP 4 1HB ASP 4 -0.130 -2.053 -3.967
30 2HB ASP 4 2HB ASP 4 -1.731 -2.320 -4.628
31 HD2 ASP 4 HD2 ASP 4 -1.084 0.373 -2.200
32 H SER 5 H SER 5 1.400 -4.378 -3.112
33 HA SER 5 HA SER 5 1.582 -5.246 -5.786
34 1HB SER 5 1HB SER 5 3.410 -4.227 -4.212
35 2HB SER 5 2HB SER 5 3.611 -5.862 -3.614
36 HG SER 5 HG SER 5 3.855 -6.455 -5.995
37 H PHE 6 H PHE 6 0.636 -6.713 -2.771
38 HA PHE 6 HA PHE 6 1.428 -9.367 -3.420
39 1HB PHE 6 1HB PHE 6 1.083 -9.059 -1.110
40 2HB PHE 6 2HB PHE 6 -0.132 -7.823 -1.365
41 HD1 PHE 6 HD1 PHE 6 -2.471 -8.401 -1.569
42 HD2 PHE 6 HD2 PHE 6 0.463 -11.428 -1.086
43 HE1 PHE 6 HE1 PHE 6 -4.274 -10.061 -1.028
44 HE2 PHE 6 HE2 PHE 6 -1.340 -13.089 -0.545
45 HZ PHE 6 HZ PHE 6 -3.687 -12.386 -0.522
46 H VAL 7 H VAL 7 -1.182 -7.266 -4.378
47 HA VAL 7 HA VAL 7 -3.156 -9.246 -4.772
48 HB VAL 7 HB VAL 7 -2.775 -6.549 -6.087
49 1HG1 VAL 7 1HG1 VAL 7 -4.737 -6.830 -7.128
50 2HG1 VAL 7 2HG1 VAL 7 -4.598 -8.557 -6.718
51 3HG1 VAL 7 3HG1 VAL 7 -5.515 -7.461 -5.656
52 1HG2 VAL 7 1HG2 VAL 7 -3.181 -5.656 -4.084
53 2HG2 VAL 7 2HG2 VAL 7 -4.781 -6.434 -4.104
54 3HG2 VAL 7 3HG2 VAL 7 -3.396 -7.267 -3.360
55 H GLY 8 H GLY 8 -0.226 -8.337 -6.459
56 1HA GLY 8 1HA GLY 8 -0.951 -9.185 -9.063
57 2HA GLY 8 2HA GLY 8 0.667 -8.975 -8.425
58 H LEU 9 H LEU 9 -0.282 -10.898 -6.086
59 HA LEU 9 HA LEU 9 0.758 -13.243 -7.346
60 1HB LEU 9 1HB LEU 9 -0.065 -12.453 -4.579
61 2HB LEU 9 2HB LEU 9 0.148 -14.149 -4.962
62 HG LEU 9 HG LEU 9 2.482 -13.481 -5.833
63 1HD1 LEU 9 1HD1 LEU 9 3.085 -11.374 -4.165
64 2HD1 LEU 9 2HD1 LEU 9 2.856 -11.283 -5.928
65 3HD1 LEU 9 3HD1 LEU 9 1.502 -10.909 -4.835
66 1HD2 LEU 9 1HD2 LEU 9 1.837 -14.688 -3.660
67 2HD2 LEU 9 2HD2 LEU 9 3.447 -13.936 -3.753
68 3HD2 LEU 9 3HD2 LEU 9 2.138 -13.128 -2.859
69 H MET 10 H MET 10 -2.388 -11.831 -6.799
70 HA MET 10 HA MET 10 -3.728 -14.354 -6.931
71 1HB MET 10 1HB MET 10 -4.503 -11.423 -6.729
72 2HB MET 10 2HB MET 10 -5.732 -12.569 -7.226
73 1HG MET 10 1HG MET 10 -4.484 -13.807 -5.006
74 2HG MET 10 2HG MET 10 -4.591 -12.117 -4.555
75 1HE MET 10 1HE MET 10 -7.470 -11.495 -3.255
76 2HE MET 10 2HE MET 10 -7.262 -13.121 -2.562
77 3HE MET 10 3HE MET 10 -5.837 -12.114 -2.910