Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
496057 | 2l2w RC | 17153 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HC3 QUA 0 HC3 QUA 0 -0.514 -2.020 -2.453
2 HC8 QUA 0 HC8 QUA 0 -5.252 -2.322 0.796
3 H16 QUA 0 H16 QUA 0 -6.040 -0.594 -1.323
4 HC71 QUA 0 HC71 QUA 0 -7.327 -2.965 -0.604
5 H13 QUA 0 H13 QUA 0 -3.166 -2.587 -4.879
6 H15 QUA 0 H15 QUA 0 -1.152 -2.397 -5.734
7 HC5 QUA 0 HC5 QUA 0 -5.010 -3.017 -4.063
8 H141 QUA 0 H141 QUA 0 -3.220 -4.863 -3.965
9 H142 QUA 0 H142 QUA 0 -1.471 -4.810 -3.745
10 H143 QUA 0 H143 QUA 0 -2.158 -4.749 -5.368
11 HC6 QUA 0 HC6 QUA 0 -7.008 -3.581 -2.979
12 H ILE 1 H ILE 1 -5.035 -4.747 -0.479
13 HA ILE 1 HA ILE 1 -6.806 -3.859 1.446
14 HB ILE 1 HB ILE 1 -7.345 -6.177 2.338
15 HG12 ILE 1 HG12 ILE 1 -6.973 -6.967 -0.559
16 HG13 ILE 1 HG13 ILE 1 -5.803 -7.336 0.703
17 HG21 ILE 1 HG21 ILE 1 -9.015 -4.634 1.410
18 HG22 ILE 1 HG22 ILE 1 -9.411 -6.319 1.070
19 HG23 ILE 1 HG23 ILE 1 -8.725 -5.302 -0.196
20 HD11 ILE 1 HD11 ILE 1 -8.643 -8.312 0.534
21 HD12 ILE 1 HD12 ILE 1 -7.558 -8.609 1.891
22 HD13 ILE 1 HD13 ILE 1 -7.174 -9.257 0.296
23 H ALA 2 H ALA 2 -3.996 -5.226 0.270
24 HA ALA 2 HA ALA 2 -2.531 -4.832 2.653
25 HB1 ALA 2 HB1 ALA 2 -3.782 -6.864 3.294
26 HB2 ALA 2 HB2 ALA 2 -2.034 -7.105 3.274
27 HB3 ALA 2 HB3 ALA 2 -3.026 -7.719 1.950
28 H DHA 3 H DHA 3 -0.545 -4.436 2.072
29 HB1 DHA 3 HB1 DHA 3 0.111 -5.863 -1.290
30 HB2 DHA 3 HB2 DHA 3 1.732 -4.947 -1.409
31 H ALA 4 H ALA 4 2.916 -3.932 -0.546
32 HA ALA 4 HA ALA 4 3.052 -1.779 1.450
33 HB1 ALA 4 HB1 ALA 4 4.518 -3.616 2.177
34 HB2 ALA 4 HB2 ALA 4 5.427 -2.161 1.769
35 HB3 ALA 4 HB3 ALA 4 5.383 -3.517 0.643
36 H SER 5 H SER 5 3.175 0.125 0.448
37 HB2 SER 5 HB2 SER 5 5.315 -0.248 -2.647
38 HB3 SER 5 HB3 SER 5 5.170 1.479 -2.954
39 HB BB9 6 HB BB9 6 1.072 -1.234 -5.288
40 H THR 7 H THR 7 -0.545 1.859 -2.381
41 HA THR 7 HA THR 7 -2.841 1.851 -4.212
42 HB THR 7 HB THR 7 -3.419 0.293 -2.421
43 HG1 THR 7 HG1 THR 7 -5.110 2.085 -1.496
44 HG21 THR 7 HG21 THR 7 -3.111 2.591 -0.490
45 HG22 THR 7 HG22 THR 7 -1.907 1.320 -0.697
46 HG23 THR 7 HG23 THR 7 -3.523 0.918 -0.116
47 H DBU 8 H1 DBU 8 -4.426 3.602 -3.490
48 HB DBU 8 HB1 DBU 8 -3.669 7.580 -3.586
49 HG1 DBU 8 HG1 DBU 8 -1.585 5.775 -4.613
50 HG2 DBU 8 HG2 DBU 8 -2.217 7.182 -5.466
51 HG3 DBU 8 HG3 DBU 8 -2.980 5.607 -5.678
52 HA DCY 9 HA DCY 9 -7.239 5.674 -0.444
53 HB2 DCY 9 HB2 DCY 9 -6.622 7.747 0.400
54 HB3 DCY 9 HB3 DCY 9 -4.956 7.222 0.743
55 H TS9 10 HN1 TS9 10 -5.992 3.162 0.454
56 HA TS9 10 HA TS9 10 -7.039 3.382 3.112
57 HG3 TS9 10 HG3 TS9 10 -5.250 1.348 0.908
58 HG21 TS9 10 HG21 TS9 10 -7.118 -0.334 3.380
59 HG22 TS9 10 HG22 TS9 10 -7.767 1.158 4.061
60 HG23 TS9 10 HG23 TS9 10 -6.052 0.784 4.225
61 HG1 TS9 10 HG1 TS9 10 -7.663 1.839 0.410
62 HD2 TS9 10 HD2 TS9 10 -9.556 1.758 2.418
63 HD11 TS9 10 HD11 TS9 10 -7.797 -0.689 1.031
64 HD12 TS9 10 HD12 TS9 10 -9.168 0.097 0.250
65 HD13 TS9 10 HD13 TS9 10 -9.189 -0.186 1.990
66 HB BB9 11 HB BB9 11 -2.702 3.858 5.891
67 H THR 12 H THR 12 -1.937 1.453 2.096
68 HA THR 12 HA THR 12 0.746 1.371 3.306
69 HB THR 12 HB THR 12 1.146 -0.622 1.785
70 HG21 THR 12 HG21 THR 12 -0.738 -0.606 4.106
71 HG22 THR 12 HG22 THR 12 0.940 -1.151 4.018
72 HG23 THR 12 HG23 THR 12 -0.340 -2.114 3.281
73 HB BB9 13 HB BB9 13 1.238 4.125 -1.387
74 HC BB9 13 HC BB9 13 3.493 2.841 -1.894
75 HB2 MH6 14 HB2 MH6 14 6.337 0.067 -0.592
76 HB3 MH6 14 HB3 MH6 14 7.034 1.343 -1.582
77 HB BB9 15 HB BB9 15 8.103 4.051 3.603
78 H DHA 16 H DHA 16 9.777 0.954 0.796
79 HB1 DHA 16 HB1 DHA 16 12.470 1.679 3.236
80 HB2 DHA 16 HB2 DHA 16 13.633 0.496 2.381
81 H DHA 17 HN DHA 17 13.837 -0.594 1.045
82 HB1 DHA 17 HB1 DHA 17 11.762 -2.043 -1.657
83 HB2 DHA 17 HB2 DHA 17 13.199 -3.048 -2.295
84 HN1 NH2 18 HT1 DHA 17 16.433 -3.325 -1.334
85 HN2 NH2 18 HT2 DHA 17 14.916 -3.457 -2.105
Start of MODEL 2
1 HC3 QUA 0 HC3 QUA 0 -0.468 -1.999 -2.448
2 HC8 QUA 0 HC8 QUA 0 -5.232 -2.354 0.756
3 H16 QUA 0 H16 QUA 0 -6.268 -0.734 -1.332
4 HC71 QUA 0 HC71 QUA 0 -7.295 -2.988 -0.675
5 H13 QUA 0 H13 QUA 0 -3.093 -2.629 -4.894
6 H15 QUA 0 H15 QUA 0 -0.581 -3.031 -5.279
7 HC5 QUA 0 HC5 QUA 0 -4.931 -3.063 -4.098
8 H141 QUA 0 H141 QUA 0 -1.368 -4.792 -3.690
9 H142 QUA 0 H142 QUA 0 -1.978 -4.764 -5.345
10 H143 QUA 0 H143 QUA 0 -3.103 -4.894 -3.993
11 HC6 QUA 0 HC6 QUA 0 -6.938 -3.630 -3.037
12 H ILE 1 H ILE 1 -5.004 -4.763 -0.493
13 HA ILE 1 HA ILE 1 -6.835 -3.888 1.377
14 HB ILE 1 HB ILE 1 -7.420 -6.199 2.237
15 HG12 ILE 1 HG12 ILE 1 -6.869 -6.982 -0.637
16 HG13 ILE 1 HG13 ILE 1 -5.823 -7.396 0.716
17 HG21 ILE 1 HG21 ILE 1 -9.438 -6.321 0.925
18 HG22 ILE 1 HG22 ILE 1 -8.696 -5.382 -0.370
19 HG23 ILE 1 HG23 ILE 1 -9.022 -4.628 1.190
20 HD11 ILE 1 HD11 ILE 1 -7.727 -8.620 1.733
21 HD12 ILE 1 HD12 ILE 1 -7.183 -9.282 0.191
22 HD13 ILE 1 HD13 ILE 1 -8.652 -8.308 0.264
23 H ALA 2 H ALA 2 -4.008 -5.303 0.278
24 HA ALA 2 HA ALA 2 -2.592 -4.867 2.684
25 HB1 ALA 2 HB1 ALA 2 -2.143 -7.093 3.402
26 HB2 ALA 2 HB2 ALA 2 -2.997 -7.772 2.016
27 HB3 ALA 2 HB3 ALA 2 -3.895 -6.919 3.272
28 H DHA 3 H DHA 3 -0.643 -4.382 2.061
29 HB1 DHA 3 HB1 DHA 3 -0.044 -5.770 -1.320
30 HB2 DHA 3 HB2 DHA 3 1.584 -4.866 -1.455
31 H ALA 4 H ALA 4 2.791 -3.888 -0.601
32 HA ALA 4 HA ALA 4 3.010 -1.787 1.436
33 HB1 ALA 4 HB1 ALA 4 5.298 -3.567 0.599
34 HB2 ALA 4 HB2 ALA 4 4.427 -3.683 2.128
35 HB3 ALA 4 HB3 ALA 4 5.368 -2.237 1.756
36 H SER 5 H SER 5 3.168 0.124 0.447
37 HB2 SER 5 HB2 SER 5 5.316 -0.271 -2.638
38 HB3 SER 5 HB3 SER 5 5.197 1.459 -2.941
39 HB BB9 6 HB BB9 6 1.080 -1.179 -5.322
40 H THR 7 H THR 7 -0.534 1.909 -2.399
41 HA THR 7 HA THR 7 -2.863 1.835 -4.185
42 HB THR 7 HB THR 7 -3.375 0.276 -2.374
43 HG1 THR 7 HG1 THR 7 -5.338 1.048 -2.417
44 HG21 THR 7 HG21 THR 7 -1.867 1.358 -0.679
45 HG22 THR 7 HG22 THR 7 -3.463 0.920 -0.074
46 HG23 THR 7 HG23 THR 7 -3.102 2.600 -0.467
47 H DBU 8 H1 DBU 8 -4.472 3.548 -3.479
48 HB DBU 8 HB1 DBU 8 -3.827 7.538 -3.657
49 HG1 DBU 8 HG1 DBU 8 -2.399 7.136 -5.554
50 HG2 DBU 8 HG2 DBU 8 -3.116 5.533 -5.714
51 HG3 DBU 8 HG3 DBU 8 -1.710 5.770 -4.677
52 HA DCY 9 HA DCY 9 -7.299 5.615 -0.427
53 HB2 DCY 9 HB2 DCY 9 -6.722 7.719 0.365
54 HB3 DCY 9 HB3 DCY 9 -5.039 7.240 0.697
55 H TS9 10 HN1 TS9 10 -5.961 3.156 0.509
56 HA TS9 10 HA TS9 10 -6.995 3.420 3.174
57 HG3 TS9 10 HG3 TS9 10 -5.411 1.169 0.847
58 HG21 TS9 10 HG21 TS9 10 -6.009 0.839 4.325
59 HG22 TS9 10 HG22 TS9 10 -7.105 -0.275 3.512
60 HG23 TS9 10 HG23 TS9 10 -7.717 1.243 4.167
61 HG1 TS9 10 HG1 TS9 10 -7.620 1.844 0.499
62 HD2 TS9 10 HD2 TS9 10 -9.561 2.440 1.493
63 HD11 TS9 10 HD11 TS9 10 -7.710 -0.683 1.110
64 HD12 TS9 10 HD12 TS9 10 -9.099 0.078 0.337
65 HD13 TS9 10 HD13 TS9 10 -9.106 -0.212 2.077
66 HB BB9 11 HB BB9 11 -2.619 3.952 5.884
67 H THR 12 H THR 12 -1.915 1.476 2.127
68 HA THR 12 HA THR 12 0.777 1.380 3.311
69 HB THR 12 HB THR 12 1.150 -0.619 1.803
70 HG21 THR 12 HG21 THR 12 0.909 -1.144 4.034
71 HG22 THR 12 HG22 THR 12 -0.374 -2.091 3.280
72 HG23 THR 12 HG23 THR 12 -0.760 -0.577 4.101
73 HB BB9 13 HB BB9 13 1.257 4.126 -1.390
74 HC BB9 13 HC BB9 13 3.513 2.839 -1.893
75 HB2 MH6 14 HB2 MH6 14 6.313 0.024 -0.564
76 HB3 MH6 14 HB3 MH6 14 7.052 1.277 -1.552
77 HB BB9 15 HB BB9 15 8.119 4.041 3.600
78 H DHA 16 H DHA 16 9.790 0.871 0.864
79 HB1 DHA 16 HB1 DHA 16 12.562 1.889 3.100
80 HB2 DHA 16 HB2 DHA 16 13.697 0.602 2.368
81 H DHA 17 HN DHA 17 13.852 -0.665 1.191
82 HB1 DHA 17 HB1 DHA 17 11.662 -2.517 -1.149
83 HB2 DHA 17 HB2 DHA 17 13.081 -3.596 -1.709
84 HN1 NH2 18 HT1 DHA 17 16.364 -3.704 -0.893
85 HN2 NH2 18 HT2 DHA 17 14.810 -3.960 -1.551
Start of MODEL 3
1 HC3 QUA 0 HC3 QUA 0 -0.561 -2.028 -2.477
2 HC8 QUA 0 HC8 QUA 0 -5.282 -2.287 0.801
3 H16 QUA 0 H16 QUA 0 -5.870 -0.464 -1.279
4 HC71 QUA 0 HC71 QUA 0 -7.362 -2.944 -0.578
5 H13 QUA 0 H13 QUA 0 -3.232 -2.584 -4.886
6 H15 QUA 0 H15 QUA 0 -0.498 -3.043 -4.728
7 HC5 QUA 0 HC5 QUA 0 -5.076 -2.992 -4.060
8 H141 QUA 0 H141 QUA 0 -2.264 -4.749 -5.382
9 H142 QUA 0 H142 QUA 0 -3.269 -4.859 -3.936
10 H143 QUA 0 H143 QUA 0 -1.512 -4.805 -3.787
11 HC6 QUA 0 HC6 QUA 0 -7.068 -3.548 -2.957
12 H ILE 1 H ILE 1 -5.057 -4.710 -0.477
13 HA ILE 1 HA ILE 1 -6.836 -3.849 1.458
14 HB ILE 1 HB ILE 1 -7.389 -6.124 2.358
15 HG12 ILE 1 HG12 ILE 1 -6.726 -7.018 -0.461
16 HG13 ILE 1 HG13 ILE 1 -5.744 -7.370 0.956
17 HG21 ILE 1 HG21 ILE 1 -9.009 -4.645 1.188
18 HG22 ILE 1 HG22 ILE 1 -9.385 -6.361 1.044
19 HG23 ILE 1 HG23 ILE 1 -8.648 -5.503 -0.309
20 HD11 ILE 1 HD11 ILE 1 -7.722 -8.554 1.921
21 HD12 ILE 1 HD12 ILE 1 -7.037 -9.295 0.475
22 HD13 ILE 1 HD13 ILE 1 -8.520 -8.348 0.361
23 H ALA 2 H ALA 2 -4.019 -5.258 0.274
24 HA ALA 2 HA ALA 2 -2.539 -4.739 2.629
25 HB1 ALA 2 HB1 ALA 2 -2.971 -7.657 2.026
26 HB2 ALA 2 HB2 ALA 2 -3.756 -6.777 3.337
27 HB3 ALA 2 HB3 ALA 2 -2.001 -6.974 3.331
28 H DHA 3 H DHA 3 -0.509 -4.436 2.091
29 HB1 DHA 3 HB1 DHA 3 0.098 -5.820 -1.298
30 HB2 DHA 3 HB2 DHA 3 1.727 -4.918 -1.422
31 H ALA 4 H ALA 4 2.928 -3.932 -0.560
32 HA ALA 4 HA ALA 4 3.099 -1.789 1.444
33 HB1 ALA 4 HB1 ALA 4 5.407 -3.540 0.600
34 HB2 ALA 4 HB2 ALA 4 4.561 -3.642 2.144
35 HB3 ALA 4 HB3 ALA 4 5.476 -2.191 1.733
36 H SER 5 H SER 5 3.204 0.117 0.446
37 HB2 SER 5 HB2 SER 5 5.352 -0.239 -2.643
38 HB3 SER 5 HB3 SER 5 5.205 1.490 -2.944
39 HB BB9 6 HB BB9 6 1.113 -1.210 -5.305
40 H THR 7 H THR 7 -0.518 1.851 -2.370
41 HA THR 7 HA THR 7 -2.828 1.831 -4.186
42 HB THR 7 HB THR 7 -3.377 0.273 -2.385
43 HG1 THR 7 HG1 THR 7 -5.341 1.083 -2.272
44 HG21 THR 7 HG21 THR 7 -1.853 1.323 -0.682
45 HG22 THR 7 HG22 THR 7 -3.456 0.897 -0.082
46 HG23 THR 7 HG23 THR 7 -3.074 2.577 -0.461
47 H DBU 8 H1 DBU 8 -4.412 3.571 -3.482
48 HB DBU 8 HB1 DBU 8 -3.670 7.557 -3.557
49 HG1 DBU 8 HG1 DBU 8 -2.156 7.178 -5.390
50 HG2 DBU 8 HG2 DBU 8 -2.897 5.596 -5.632
51 HG3 DBU 8 HG3 DBU 8 -1.539 5.773 -4.521
52 HA DCY 9 HA DCY 9 -7.311 5.544 -0.508
53 HB2 DCY 9 HB2 DCY 9 -6.835 7.675 0.265
54 HB3 DCY 9 HB3 DCY 9 -5.160 7.255 0.696
55 H TS9 10 HN1 TS9 10 -5.941 3.133 0.487
56 HA TS9 10 HA TS9 10 -7.018 3.423 3.143
57 HG3 TS9 10 HG3 TS9 10 -5.167 1.358 1.090
58 HG21 TS9 10 HG21 TS9 10 -7.728 1.287 4.182
59 HG22 TS9 10 HG22 TS9 10 -6.040 0.790 4.284
60 HG23 TS9 10 HG23 TS9 10 -7.221 -0.258 3.505
61 HG1 TS9 10 HG1 TS9 10 -7.687 1.840 0.485
62 HD2 TS9 10 HD2 TS9 10 -9.769 2.059 1.834
63 HD11 TS9 10 HD11 TS9 10 -9.276 0.131 0.408
64 HD12 TS9 10 HD12 TS9 10 -9.133 -0.207 2.133
65 HD13 TS9 10 HD13 TS9 10 -7.832 -0.664 1.036
66 HB BB9 11 HB BB9 11 -2.657 3.871 5.882
67 H THR 12 H THR 12 -1.930 1.454 2.086
68 HA THR 12 HA THR 12 0.753 1.349 3.290
69 HB THR 12 HB THR 12 1.134 -0.639 1.755
70 HG21 THR 12 HG21 THR 12 0.929 -1.171 3.988
71 HG22 THR 12 HG22 THR 12 -0.360 -2.124 3.250
72 HG23 THR 12 HG23 THR 12 -0.743 -0.615 4.081
73 HB BB9 13 HB BB9 13 1.274 4.131 -1.383
74 HC BB9 13 HC BB9 13 3.529 2.846 -1.882
75 HB2 MH6 14 HB2 MH6 14 6.367 0.068 -0.585
76 HB3 MH6 14 HB3 MH6 14 7.065 1.349 -1.565
77 HB BB9 15 HB BB9 15 8.101 4.012 3.655
78 H DHA 16 H DHA 16 9.844 1.028 0.766
79 HB1 DHA 16 HB1 DHA 16 12.408 1.534 3.386
80 HB2 DHA 16 HB2 DHA 16 13.640 0.480 2.461
81 H DHA 17 HN DHA 17 13.923 -0.471 1.039
82 HB1 DHA 17 HB1 DHA 17 12.136 -1.345 -2.085
83 HB2 DHA 17 HB2 DHA 17 13.587 -2.348 -2.697
84 HN1 NH2 18 HT1 DHA 17 16.625 -3.054 -1.390
85 HN2 NH2 18 HT2 DHA 17 15.227 -2.925 -2.360
Start of MODEL 4
1 HC3 QUA 0 HC3 QUA 0 -0.512 -2.019 -2.452
2 HC8 QUA 0 HC8 QUA 0 -5.253 -2.361 0.786
3 H16 QUA 0 H16 QUA 0 -5.737 -0.450 -1.217
4 HC71 QUA 0 HC71 QUA 0 -7.329 -2.985 -0.627
5 H13 QUA 0 H13 QUA 0 -3.153 -2.581 -4.888
6 H15 QUA 0 H15 QUA 0 -0.473 -3.088 -4.882
7 HC5 QUA 0 HC5 QUA 0 -5.001 -3.025 -4.078
8 H141 QUA 0 H141 QUA 0 -1.540 -4.818 -3.671
9 H142 QUA 0 H142 QUA 0 -2.034 -4.739 -5.361
10 H143 QUA 0 H143 QUA 0 -3.253 -4.856 -4.092
11 HC6 QUA 0 HC6 QUA 0 -7.000 -3.594 -3.002
12 H ILE 1 H ILE 1 -5.040 -4.771 -0.507
13 HA ILE 1 HA ILE 1 -6.802 -3.892 1.425
14 HB ILE 1 HB ILE 1 -7.390 -6.206 2.283
15 HG12 ILE 1 HG12 ILE 1 -6.911 -6.947 -0.615
16 HG13 ILE 1 HG13 ILE 1 -5.879 -7.432 0.726
17 HG21 ILE 1 HG21 ILE 1 -8.754 -5.366 -0.269
18 HG22 ILE 1 HG22 ILE 1 -8.992 -4.584 1.292
19 HG23 ILE 1 HG23 ILE 1 -9.459 -6.270 1.071
20 HD11 ILE 1 HD11 ILE 1 -7.844 -8.601 1.714
21 HD12 ILE 1 HD12 ILE 1 -7.293 -9.259 0.174
22 HD13 ILE 1 HD13 ILE 1 -8.732 -8.241 0.232
23 H ALA 2 H ALA 2 -4.009 -5.271 0.235
24 HA ALA 2 HA ALA 2 -2.548 -4.897 2.625
25 HB1 ALA 2 HB1 ALA 2 -3.802 -6.963 3.206
26 HB2 ALA 2 HB2 ALA 2 -2.048 -7.156 3.239
27 HB3 ALA 2 HB3 ALA 2 -2.980 -7.781 1.878
28 H DHA 3 H DHA 3 -0.574 -4.458 2.042
29 HB1 DHA 3 HB1 DHA 3 0.115 -5.872 -1.317
30 HB2 DHA 3 HB2 DHA 3 1.735 -4.952 -1.419
31 H ALA 4 H ALA 4 2.901 -3.942 -0.557
32 HA ALA 4 HA ALA 4 3.046 -1.806 1.455
33 HB1 ALA 4 HB1 ALA 4 5.414 -2.211 1.788
34 HB2 ALA 4 HB2 ALA 4 5.370 -3.554 0.646
35 HB3 ALA 4 HB3 ALA 4 4.492 -3.665 2.173
36 H SER 5 H SER 5 3.160 0.098 0.460
37 HB2 SER 5 HB2 SER 5 5.318 -0.257 -2.628
38 HB3 SER 5 HB3 SER 5 5.163 1.467 -2.942
39 HB BB9 6 HB BB9 6 1.073 -1.223 -5.286
40 H THR 7 H THR 7 -0.538 1.880 -2.383
41 HA THR 7 HA THR 7 -2.851 1.844 -4.192
42 HB THR 7 HB THR 7 -3.420 0.301 -2.396
43 HG1 THR 7 HG1 THR 7 -5.020 1.831 -3.218
44 HG21 THR 7 HG21 THR 7 -1.866 1.300 -0.696
45 HG22 THR 7 HG22 THR 7 -3.475 0.924 -0.085
46 HG23 THR 7 HG23 THR 7 -3.047 2.591 -0.464
47 H DBU 8 H1 DBU 8 -4.436 3.589 -3.501
48 HB DBU 8 HB1 DBU 8 -3.715 7.568 -3.662
49 HG1 DBU 8 HG1 DBU 8 -1.625 5.761 -4.672
50 HG2 DBU 8 HG2 DBU 8 -2.277 7.146 -5.547
51 HG3 DBU 8 HG3 DBU 8 -3.029 5.560 -5.723
52 HA DCY 9 HA DCY 9 -7.249 5.696 -0.461
53 HB2 DCY 9 HB2 DCY 9 -6.648 7.790 0.333
54 HB3 DCY 9 HB3 DCY 9 -4.977 7.286 0.686
55 H TS9 10 HN1 TS9 10 -5.909 3.221 0.477
56 HA TS9 10 HA TS9 10 -7.001 3.491 3.124
57 HG3 TS9 10 HG3 TS9 10 -5.518 1.241 0.745
58 HG21 TS9 10 HG21 TS9 10 -7.236 -0.203 3.419
59 HG22 TS9 10 HG22 TS9 10 -7.697 1.335 4.152
60 HG23 TS9 10 HG23 TS9 10 -6.019 0.797 4.207
61 HG1 TS9 10 HG1 TS9 10 -7.721 2.008 0.480
62 HD2 TS9 10 HD2 TS9 10 -9.745 1.930 2.156
63 HD11 TS9 10 HD11 TS9 10 -7.825 -0.529 0.915
64 HD12 TS9 10 HD12 TS9 10 -9.269 0.280 0.311
65 HD13 TS9 10 HD13 TS9 10 -9.139 -0.134 2.020
66 HB BB9 11 HB BB9 11 -2.664 3.853 5.917
67 H THR 12 H THR 12 -1.939 1.428 2.127
68 HA THR 12 HA THR 12 0.749 1.328 3.327
69 HB THR 12 HB THR 12 1.133 -0.662 1.804
70 HG21 THR 12 HG21 THR 12 0.903 -1.204 4.031
71 HG22 THR 12 HG22 THR 12 -0.384 -2.148 3.279
72 HG23 THR 12 HG23 THR 12 -0.767 -0.640 4.112
73 HB BB9 13 HB BB9 13 1.231 4.106 -1.351
74 HC BB9 13 HC BB9 13 3.483 2.827 -1.870
75 HB2 MH6 14 HB2 MH6 14 6.347 0.068 -0.582
76 HB3 MH6 14 HB3 MH6 14 7.029 1.350 -1.574
77 HB BB9 15 HB BB9 15 8.081 4.024 3.639
78 H DHA 16 H DHA 16 9.837 1.110 0.689
79 HB1 DHA 16 HB1 DHA 16 12.529 1.836 3.129
80 HB2 DHA 16 HB2 DHA 16 13.735 0.758 2.196
81 H DHA 17 HN DHA 17 13.965 -0.262 0.811
82 HB1 DHA 17 HB1 DHA 17 11.969 -1.512 -2.047
83 HB2 DHA 17 HB2 DHA 17 13.418 -2.496 -2.696
84 HN1 NH2 18 HT1 DHA 17 16.594 -2.919 -1.616
85 HN2 NH2 18 HT2 DHA 17 15.110 -2.956 -2.459
Start of MODEL 5
1 HC3 QUA 0 HC3 QUA 0 -0.528 -2.032 -2.469
2 HC8 QUA 0 HC8 QUA 0 -5.275 -2.253 0.773
3 H16 QUA 0 H16 QUA 0 -5.371 -0.157 -0.820
4 HC71 QUA 0 HC71 QUA 0 -7.352 -2.892 -0.624
5 H13 QUA 0 H13 QUA 0 -3.183 -2.582 -4.898
6 H15 QUA 0 H15 QUA 0 -1.237 -2.237 -5.733
7 HC5 QUA 0 HC5 QUA 0 -5.034 -2.987 -4.083
8 H141 QUA 0 H141 QUA 0 -2.243 -4.758 -5.380
9 H142 QUA 0 H142 QUA 0 -3.245 -4.855 -3.933
10 H143 QUA 0 H143 QUA 0 -1.487 -4.816 -3.788
11 HC6 QUA 0 HC6 QUA 0 -7.039 -3.524 -2.994
12 H ILE 1 H ILE 1 -5.075 -4.691 -0.483
13 HA ILE 1 HA ILE 1 -6.850 -3.777 1.430
14 HB ILE 1 HB ILE 1 -7.393 -6.075 2.350
15 HG12 ILE 1 HG12 ILE 1 -6.998 -6.940 -0.521
16 HG13 ILE 1 HG13 ILE 1 -5.818 -7.250 0.746
17 HG21 ILE 1 HG21 ILE 1 -9.070 -4.578 1.381
18 HG22 ILE 1 HG22 ILE 1 -9.439 -6.267 1.040
19 HG23 ILE 1 HG23 ILE 1 -8.742 -5.247 -0.217
20 HD11 ILE 1 HD11 ILE 1 -8.648 -8.267 0.655
21 HD12 ILE 1 HD12 ILE 1 -7.512 -8.535 1.977
22 HD13 ILE 1 HD13 ILE 1 -7.178 -9.201 0.378
23 H ALA 2 H ALA 2 -4.040 -5.164 0.273
24 HA ALA 2 HA ALA 2 -2.573 -4.758 2.652
25 HB1 ALA 2 HB1 ALA 2 -3.114 -7.642 1.968
26 HB2 ALA 2 HB2 ALA 2 -3.822 -6.769 3.327
27 HB3 ALA 2 HB3 ALA 2 -2.079 -7.045 3.267
28 H DHA 3 H DHA 3 -0.553 -4.446 2.103
29 HB1 DHA 3 HB1 DHA 3 0.066 -5.841 -1.278
30 HB2 DHA 3 HB2 DHA 3 1.695 -4.939 -1.398
31 H ALA 4 H ALA 4 2.886 -3.939 -0.540
32 HA ALA 4 HA ALA 4 3.052 -1.794 1.462
33 HB1 ALA 4 HB1 ALA 4 5.367 -3.547 0.636
34 HB2 ALA 4 HB2 ALA 4 4.503 -3.658 2.170
35 HB3 ALA 4 HB3 ALA 4 5.421 -2.204 1.778
36 H SER 5 H SER 5 3.206 0.119 0.466
37 HB2 SER 5 HB2 SER 5 5.339 -0.275 -2.623
38 HB3 SER 5 HB3 SER 5 5.208 1.453 -2.933
39 HB BB9 6 HB BB9 6 1.096 -1.227 -5.280
40 H THR 7 H THR 7 -0.501 1.882 -2.375
41 HA THR 7 HA THR 7 -2.813 1.859 -4.182
42 HB THR 7 HB THR 7 -3.358 0.285 -2.391
43 HG1 THR 7 HG1 THR 7 -4.781 2.720 -2.000
44 HG21 THR 7 HG21 THR 7 -3.083 2.591 -0.462
45 HG22 THR 7 HG22 THR 7 -1.861 1.336 -0.668
46 HG23 THR 7 HG23 THR 7 -3.471 0.912 -0.085
47 H DBU 8 H1 DBU 8 -4.391 3.592 -3.502
48 HB DBU 8 HB1 DBU 8 -3.676 7.580 -3.494
49 HG1 DBU 8 HG1 DBU 8 -2.141 7.241 -5.319
50 HG2 DBU 8 HG2 DBU 8 -2.872 5.660 -5.596
51 HG3 DBU 8 HG3 DBU 8 -1.526 5.824 -4.468
52 HA DCY 9 HA DCY 9 -7.323 5.472 -0.501
53 HB2 DCY 9 HB2 DCY 9 -6.892 7.603 0.287
54 HB3 DCY 9 HB3 DCY 9 -5.214 7.212 0.730
55 H TS9 10 HN1 TS9 10 -5.996 3.066 0.471
56 HA TS9 10 HA TS9 10 -7.035 3.328 3.135
57 HG3 TS9 10 HG3 TS9 10 -5.091 1.338 1.123
58 HG21 TS9 10 HG21 TS9 10 -5.977 0.729 4.274
59 HG22 TS9 10 HG22 TS9 10 -7.119 -0.361 3.494
60 HG23 TS9 10 HG23 TS9 10 -7.681 1.166 4.172
61 HG1 TS9 10 HG1 TS9 10 -7.672 1.735 0.483
62 HD2 TS9 10 HD2 TS9 10 -9.389 1.624 2.709
63 HD11 TS9 10 HD11 TS9 10 -9.168 -0.037 0.375
64 HD12 TS9 10 HD12 TS9 10 -9.077 -0.350 2.108
65 HD13 TS9 10 HD13 TS9 10 -7.727 -0.786 1.062
66 HB BB9 11 HB BB9 11 -2.669 3.907 5.850
67 H THR 12 H THR 12 -1.925 1.445 2.089
68 HA THR 12 HA THR 12 0.754 1.353 3.301
69 HB THR 12 HB THR 12 1.139 -0.636 1.768
70 HG21 THR 12 HG21 THR 12 -0.738 -0.598 4.092
71 HG22 THR 12 HG22 THR 12 0.922 -1.190 3.990
72 HG23 THR 12 HG23 THR 12 -0.390 -2.110 3.255
73 HB BB9 13 HB BB9 13 1.297 4.150 -1.358
74 HC BB9 13 HC BB9 13 3.521 2.827 -1.894
75 HB2 MH6 14 HB2 MH6 14 6.334 0.039 -0.549
76 HB3 MH6 14 HB3 MH6 14 7.069 1.283 -1.549
77 HB BB9 15 HB BB9 15 8.166 4.120 3.547
78 H DHA 16 H DHA 16 9.790 0.897 0.852
79 HB1 DHA 16 HB1 DHA 16 12.589 1.872 3.073
80 HB2 DHA 16 HB2 DHA 16 13.684 0.536 2.365
81 H DHA 17 HN DHA 17 13.785 -0.788 1.246
82 HB1 DHA 17 HB1 DHA 17 11.653 -2.372 -1.335
83 HB2 DHA 17 HB2 DHA 17 12.979 -3.621 -1.738
84 HN1 NH2 18 HT1 DHA 17 16.079 -4.182 -0.509
85 HN2 NH2 18 HT2 DHA 17 14.607 -4.216 -1.371
Start of MODEL 6
1 HC3 QUA 0 HC3 QUA 0 -0.526 -1.994 -2.455
2 HC8 QUA 0 HC8 QUA 0 -5.245 -2.348 0.818
3 H16 QUA 0 H16 QUA 0 -6.339 -0.715 -1.225
4 HC71 QUA 0 HC71 QUA 0 -7.336 -2.946 -0.587
5 H13 QUA 0 H13 QUA 0 -3.185 -2.523 -4.876
6 H15 QUA 0 H15 QUA 0 -0.419 -2.919 -4.537
7 HC5 QUA 0 HC5 QUA 0 -5.029 -2.986 -4.052
8 H141 QUA 0 H141 QUA 0 -3.268 -4.811 -4.032
9 H142 QUA 0 H142 QUA 0 -1.527 -4.780 -3.757
10 H143 QUA 0 H143 QUA 0 -2.163 -4.684 -5.399
11 HC6 QUA 0 HC6 QUA 0 -7.023 -3.554 -2.965
12 H ILE 1 H ILE 1 -5.058 -4.745 -0.467
13 HA ILE 1 HA ILE 1 -6.825 -3.865 1.453
14 HB ILE 1 HB ILE 1 -7.446 -6.183 2.290
15 HG12 ILE 1 HG12 ILE 1 -6.982 -6.892 -0.618
16 HG13 ILE 1 HG13 ILE 1 -5.953 -7.409 0.713
17 HG21 ILE 1 HG21 ILE 1 -9.033 -4.535 1.339
18 HG22 ILE 1 HG22 ILE 1 -9.514 -6.207 1.057
19 HG23 ILE 1 HG23 ILE 1 -8.790 -5.265 -0.247
20 HD11 ILE 1 HD11 ILE 1 -7.408 -9.203 0.115
21 HD12 ILE 1 HD12 ILE 1 -8.826 -8.163 0.241
22 HD13 ILE 1 HD13 ILE 1 -7.909 -8.582 1.688
23 H ALA 2 H ALA 2 -4.039 -5.231 0.274
24 HA ALA 2 HA ALA 2 -2.587 -4.920 2.672
25 HB1 ALA 2 HB1 ALA 2 -3.829 -6.952 3.278
26 HB2 ALA 2 HB2 ALA 2 -2.087 -7.230 3.199
27 HB3 ALA 2 HB3 ALA 2 -3.130 -7.778 1.887
28 H DHA 3 H DHA 3 -0.619 -4.468 2.069
29 HB1 DHA 3 HB1 DHA 3 -0.022 -5.785 -1.344
30 HB2 DHA 3 HB2 DHA 3 1.602 -4.874 -1.462
31 H ALA 4 H ALA 4 2.801 -3.903 -0.602
32 HA ALA 4 HA ALA 4 3.012 -1.810 1.445
33 HB1 ALA 4 HB1 ALA 4 5.286 -3.613 0.615
34 HB2 ALA 4 HB2 ALA 4 4.431 -3.682 2.156
35 HB3 ALA 4 HB3 ALA 4 5.386 -2.258 1.741
36 H SER 5 H SER 5 3.189 0.109 0.468
37 HB2 SER 5 HB2 SER 5 5.342 -0.266 -2.603
38 HB3 SER 5 HB3 SER 5 5.202 1.459 -2.922
39 HB BB9 6 HB BB9 6 1.136 -1.191 -5.326
40 H THR 7 H THR 7 -0.522 1.833 -2.372
41 HA THR 7 HA THR 7 -2.808 1.845 -4.218
42 HB THR 7 HB THR 7 -3.384 0.272 -2.437
43 HG1 THR 7 HG1 THR 7 -4.776 2.726 -2.057
44 HG21 THR 7 HG21 THR 7 -3.119 2.558 -0.487
45 HG22 THR 7 HG22 THR 7 -1.881 1.320 -0.704
46 HG23 THR 7 HG23 THR 7 -3.487 0.870 -0.132
47 H DBU 8 H1 DBU 8 -4.388 3.588 -3.528
48 HB DBU 8 HB1 DBU 8 -3.635 7.564 -3.583
49 HG1 DBU 8 HG1 DBU 8 -2.125 7.177 -5.419
50 HG2 DBU 8 HG2 DBU 8 -2.913 5.622 -5.683
51 HG3 DBU 8 HG3 DBU 8 -1.542 5.739 -4.579
52 HA DCY 9 HA DCY 9 -7.245 5.585 -0.485
53 HB2 DCY 9 HB2 DCY 9 -6.727 7.702 0.297
54 HB3 DCY 9 HB3 DCY 9 -5.051 7.254 0.698
55 H TS9 10 HN1 TS9 10 -5.971 3.138 0.465
56 HA TS9 10 HA TS9 10 -7.021 3.414 3.119
57 HG3 TS9 10 HG3 TS9 10 -5.452 1.023 0.830
58 HG21 TS9 10 HG21 TS9 10 -7.906 1.268 4.021
59 HG22 TS9 10 HG22 TS9 10 -6.215 0.871 4.321
60 HG23 TS9 10 HG23 TS9 10 -7.244 -0.262 3.449
61 HG1 TS9 10 HG1 TS9 10 -7.521 1.781 0.357
62 HD2 TS9 10 HD2 TS9 10 -9.045 3.003 1.156
63 HD11 TS9 10 HD11 TS9 10 -9.213 -0.098 1.954
64 HD12 TS9 10 HD12 TS9 10 -7.809 -0.692 1.072
65 HD13 TS9 10 HD13 TS9 10 -9.120 0.109 0.206
66 HB BB9 11 HB BB9 11 -2.684 3.847 5.900
67 H THR 12 H THR 12 -1.928 1.424 2.114
68 HA THR 12 HA THR 12 0.753 1.338 3.329
69 HB THR 12 HB THR 12 1.149 -0.652 1.800
70 HG21 THR 12 HG21 THR 12 0.945 -1.205 4.022
71 HG22 THR 12 HG22 THR 12 -0.365 -2.136 3.294
72 HG23 THR 12 HG23 THR 12 -0.716 -0.622 4.131
73 HB BB9 13 HB BB9 13 1.257 4.119 -1.345
74 HC BB9 13 HC BB9 13 3.495 2.827 -1.874
75 HB2 MH6 14 HB2 MH6 14 6.335 0.060 -0.535
76 HB3 MH6 14 HB3 MH6 14 7.058 1.314 -1.534
77 HB BB9 15 HB BB9 15 8.121 4.115 3.588
78 H DHA 16 H DHA 16 9.833 1.077 0.739
79 HB1 DHA 16 HB1 DHA 16 12.583 1.966 3.057
80 HB2 DHA 16 HB2 DHA 16 13.757 0.802 2.191
81 H DHA 17 HN DHA 17 13.940 -0.353 0.901
82 HB1 DHA 17 HB1 DHA 17 11.881 -1.750 -1.844
83 HB2 DHA 17 HB2 DHA 17 13.297 -2.817 -2.433
84 HN1 NH2 18 HT1 DHA 17 16.470 -3.255 -1.343
85 HN2 NH2 18 HT2 DHA 17 14.981 -3.307 -2.176
Start of MODEL 7
1 HC3 QUA 0 HC3 QUA 0 -0.468 -2.040 -2.409
2 HC8 QUA 0 HC8 QUA 0 -5.254 -2.227 0.778
3 H16 QUA 0 H16 QUA 0 -5.309 -0.067 -0.310
4 HC71 QUA 0 HC71 QUA 0 -7.315 -2.872 -0.641
5 H13 QUA 0 H13 QUA 0 -3.102 -2.656 -4.855
6 H15 QUA 0 H15 QUA 0 -0.521 -3.115 -5.094
7 HC5 QUA 0 HC5 QUA 0 -4.951 -3.030 -4.063
8 H141 QUA 0 H141 QUA 0 -3.136 -4.909 -3.935
9 H142 QUA 0 H142 QUA 0 -1.403 -4.818 -3.613
10 H143 QUA 0 H143 QUA 0 -1.994 -4.806 -5.274
11 HC6 QUA 0 HC6 QUA 0 -6.969 -3.547 -2.995
12 H ILE 1 H ILE 1 -5.052 -4.684 -0.452
13 HA ILE 1 HA ILE 1 -6.811 -3.715 1.444
14 HB ILE 1 HB ILE 1 -7.396 -6.002 2.390
15 HG12 ILE 1 HG12 ILE 1 -7.032 -6.856 -0.490
16 HG13 ILE 1 HG13 ILE 1 -5.883 -7.232 0.789
17 HG21 ILE 1 HG21 ILE 1 -9.471 -6.113 1.152
18 HG22 ILE 1 HG22 ILE 1 -8.767 -5.176 -0.166
19 HG23 ILE 1 HG23 ILE 1 -9.022 -4.428 1.411
20 HD11 ILE 1 HD11 ILE 1 -7.655 -8.454 1.981
21 HD12 ILE 1 HD12 ILE 1 -7.313 -9.121 0.384
22 HD13 ILE 1 HD13 ILE 1 -8.750 -8.130 0.637
23 H ALA 2 H ALA 2 -4.026 -5.149 0.310
24 HA ALA 2 HA ALA 2 -2.560 -4.735 2.686
25 HB1 ALA 2 HB1 ALA 2 -3.842 -6.738 3.362
26 HB2 ALA 2 HB2 ALA 2 -2.096 -7.003 3.348
27 HB3 ALA 2 HB3 ALA 2 -3.095 -7.626 2.033
28 H DHA 3 H DHA 3 -0.582 -4.342 2.069
29 HB1 DHA 3 HB1 DHA 3 -0.024 -5.765 -1.311
30 HB2 DHA 3 HB2 DHA 3 1.616 -4.886 -1.457
31 H ALA 4 H ALA 4 2.828 -3.895 -0.626
32 HA ALA 4 HA ALA 4 3.099 -1.812 1.426
33 HB1 ALA 4 HB1 ALA 4 5.352 -3.595 0.507
34 HB2 ALA 4 HB2 ALA 4 4.511 -3.735 2.052
35 HB3 ALA 4 HB3 ALA 4 5.458 -2.289 1.689
36 H SER 5 H SER 5 3.180 0.099 0.437
37 HB2 SER 5 HB2 SER 5 5.326 -0.227 -2.660
38 HB3 SER 5 HB3 SER 5 5.175 1.502 -2.950
39 HB BB9 6 HB BB9 6 1.101 -1.189 -5.322
40 H THR 7 H THR 7 -0.551 1.878 -2.404
41 HA THR 7 HA THR 7 -2.832 1.847 -4.252
42 HB THR 7 HB THR 7 -3.395 0.275 -2.463
43 HG1 THR 7 HG1 THR 7 -5.381 1.077 -2.286
44 HG21 THR 7 HG21 THR 7 -1.937 1.356 -0.720
45 HG22 THR 7 HG22 THR 7 -3.548 0.905 -0.165
46 HG23 THR 7 HG23 THR 7 -3.186 2.590 -0.537
47 H DBU 8 H1 DBU 8 -4.456 3.556 -3.517
48 HB DBU 8 HB1 DBU 8 -3.795 7.550 -3.617
49 HG1 DBU 8 HG1 DBU 8 -2.346 7.185 -5.504
50 HG2 DBU 8 HG2 DBU 8 -3.064 5.587 -5.708
51 HG3 DBU 8 HG3 DBU 8 -1.670 5.799 -4.648
52 HA DCY 9 HA DCY 9 -7.292 5.521 -0.438
53 HB2 DCY 9 HB2 DCY 9 -6.786 7.647 0.339
54 HB3 DCY 9 HB3 DCY 9 -5.094 7.223 0.695
55 H TS9 10 HN1 TS9 10 -6.040 3.088 0.489
56 HA TS9 10 HA TS9 10 -7.029 3.349 3.157
57 HG3 TS9 10 HG3 TS9 10 -5.460 -0.164 2.002
58 HG21 TS9 10 HG21 TS9 10 -5.974 0.731 4.276
59 HG22 TS9 10 HG22 TS9 10 -7.122 -0.346 3.487
60 HG23 TS9 10 HG23 TS9 10 -7.676 1.176 4.182
61 HG1 TS9 10 HG1 TS9 10 -7.671 1.783 0.499
62 HD2 TS9 10 HD2 TS9 10 -9.385 2.652 1.463
63 HD11 TS9 10 HD11 TS9 10 -9.215 0.029 0.407
64 HD12 TS9 10 HD12 TS9 10 -9.029 -0.344 2.120
65 HD13 TS9 10 HD13 TS9 10 -7.735 -0.732 0.990
66 HB BB9 11 HB BB9 11 -2.674 3.904 5.892
67 H THR 12 H THR 12 -1.923 1.434 2.137
68 HA THR 12 HA THR 12 0.768 1.377 3.331
69 HB THR 12 HB THR 12 1.163 -0.624 1.825
70 HG21 THR 12 HG21 THR 12 -0.300 -2.118 3.317
71 HG22 THR 12 HG22 THR 12 -0.754 -0.614 4.124
72 HG23 THR 12 HG23 THR 12 0.939 -1.117 4.072
73 HB BB9 13 HB BB9 13 1.228 4.095 -1.388
74 HC BB9 13 HC BB9 13 3.513 2.853 -1.859
75 HB2 MH6 14 HB2 MH6 14 6.367 0.068 -0.618
76 HB3 MH6 14 HB3 MH6 14 7.040 1.373 -1.585
77 HB BB9 15 HB BB9 15 8.082 3.889 3.716
78 H DHA 16 H DHA 16 9.844 1.063 0.683
79 HB1 DHA 16 HB1 DHA 16 12.531 1.712 3.149
80 HB2 DHA 16 HB2 DHA 16 13.750 0.698 2.164
81 H DHA 17 HN DHA 17 13.986 -0.278 0.746
82 HB1 DHA 17 HB1 DHA 17 12.053 -1.272 -2.253
83 HB2 DHA 17 HB2 DHA 17 13.509 -2.214 -2.945
84 HN1 NH2 18 HT1 DHA 17 16.653 -2.762 -1.818
85 HN2 NH2 18 HT2 DHA 17 15.193 -2.713 -2.703
Start of MODEL 8
1 HC3 QUA 0 HC3 QUA 0 -0.505 -2.031 -2.472
2 HC8 QUA 0 HC8 QUA 0 -5.240 -2.332 0.776
3 H16 QUA 0 H16 QUA 0 -6.128 -0.665 -1.355
4 HC71 QUA 0 HC71 QUA 0 -7.307 -3.013 -0.610
5 H13 QUA 0 H13 QUA 0 -3.162 -2.635 -4.896
6 H15 QUA 0 H15 QUA 0 -0.398 -2.992 -4.631
7 HC5 QUA 0 HC5 QUA 0 -5.002 -3.045 -4.080
8 H141 QUA 0 H141 QUA 0 -3.198 -4.901 -4.038
9 H142 QUA 0 H142 QUA 0 -1.472 -4.820 -3.683
10 H143 QUA 0 H143 QUA 0 -2.031 -4.779 -5.355
11 HC6 QUA 0 HC6 QUA 0 -6.995 -3.617 -2.988
12 H ILE 1 H ILE 1 -4.976 -4.744 -0.478
13 HA ILE 1 HA ILE 1 -6.835 -3.935 1.409
14 HB ILE 1 HB ILE 1 -7.314 -6.244 2.289
15 HG12 ILE 1 HG12 ILE 1 -6.630 -7.081 -0.541
16 HG13 ILE 1 HG13 ILE 1 -5.607 -7.392 0.856
17 HG21 ILE 1 HG21 ILE 1 -9.284 -6.535 0.933
18 HG22 ILE 1 HG22 ILE 1 -8.565 -5.600 -0.378
19 HG23 ILE 1 HG23 ILE 1 -8.979 -4.811 1.143
20 HD11 ILE 1 HD11 ILE 1 -7.480 -8.691 1.851
21 HD12 ILE 1 HD12 ILE 1 -6.830 -9.371 0.360
22 HD13 ILE 1 HD13 ILE 1 -8.356 -8.488 0.334
23 H ALA 2 H ALA 2 -3.966 -5.358 0.307
24 HA ALA 2 HA ALA 2 -2.531 -4.735 2.666
25 HB1 ALA 2 HB1 ALA 2 -2.933 -7.678 2.167
26 HB2 ALA 2 HB2 ALA 2 -3.754 -6.752 3.424
27 HB3 ALA 2 HB3 ALA 2 -1.997 -6.935 3.467
28 H DHA 3 H DHA 3 -0.516 -4.389 2.112
29 HB1 DHA 3 HB1 DHA 3 0.071 -5.806 -1.265
30 HB2 DHA 3 HB2 DHA 3 1.697 -4.902 -1.408
31 H ALA 4 H ALA 4 2.903 -3.905 -0.565
32 HA ALA 4 HA ALA 4 3.107 -1.779 1.451
33 HB1 ALA 4 HB1 ALA 4 5.392 -3.553 0.593
34 HB2 ALA 4 HB2 ALA 4 4.558 -3.635 2.144
35 HB3 ALA 4 HB3 ALA 4 5.487 -2.197 1.718
36 H SER 5 H SER 5 3.191 0.123 0.445
37 HB2 SER 5 HB2 SER 5 5.310 -0.231 -2.672
38 HB3 SER 5 HB3 SER 5 5.161 1.498 -2.965
39 HB BB9 6 HB BB9 6 1.053 -1.207 -5.287
40 H THR 7 H THR 7 -0.547 1.862 -2.346
41 HA THR 7 HA THR 7 -2.872 1.842 -4.142
42 HB THR 7 HB THR 7 -3.433 0.293 -2.351
43 HG1 THR 7 HG1 THR 7 -5.264 1.312 -2.813
44 HG21 THR 7 HG21 THR 7 -3.440 0.880 -0.039
45 HG22 THR 7 HG22 THR 7 -3.046 2.560 -0.400
46 HG23 THR 7 HG23 THR 7 -1.847 1.296 -0.670
47 H DBU 8 H1 DBU 8 -4.431 3.603 -3.477
48 HB DBU 8 HB1 DBU 8 -3.641 7.576 -3.583
49 HG1 DBU 8 HG1 DBU 8 -1.538 5.748 -4.525
50 HG2 DBU 8 HG2 DBU 8 -2.135 7.150 -5.413
51 HG3 DBU 8 HG3 DBU 8 -2.899 5.576 -5.633
52 HA DCY 9 HA DCY 9 -7.319 5.722 -0.540
53 HB2 DCY 9 HB2 DCY 9 -6.726 7.806 0.292
54 HB3 DCY 9 HB3 DCY 9 -5.073 7.283 0.696
55 H TS9 10 HN1 TS9 10 -5.809 3.270 0.467
56 HA TS9 10 HA TS9 10 -7.033 3.503 3.085
57 HG3 TS9 10 HG3 TS9 10 -5.653 1.047 0.669
58 HG21 TS9 10 HG21 TS9 10 -6.183 0.831 4.187
59 HG22 TS9 10 HG22 TS9 10 -7.343 -0.179 3.327
60 HG23 TS9 10 HG23 TS9 10 -7.856 1.359 4.018
61 HG1 TS9 10 HG1 TS9 10 -7.644 2.025 0.354
62 HD2 TS9 10 HD2 TS9 10 -8.855 3.326 1.507
63 HD11 TS9 10 HD11 TS9 10 -9.197 -0.047 1.867
64 HD12 TS9 10 HD12 TS9 10 -7.867 -0.492 0.802
65 HD13 TS9 10 HD13 TS9 10 -9.267 0.359 0.151
66 HB BB9 11 HB BB9 11 -2.728 3.770 5.939
67 H THR 12 H THR 12 -1.942 1.496 2.060
68 HA THR 12 HA THR 12 0.731 1.370 3.298
69 HB THR 12 HB THR 12 1.137 -0.615 1.767
70 HG21 THR 12 HG21 THR 12 0.918 -1.146 4.003
71 HG22 THR 12 HG22 THR 12 -0.341 -2.123 3.246
72 HG23 THR 12 HG23 THR 12 -0.765 -0.624 4.075
73 HB BB9 13 HB BB9 13 1.263 4.149 -1.373
74 HC BB9 13 HC BB9 13 3.506 2.850 -1.888
75 HB2 MH6 14 HB2 MH6 14 6.349 0.067 -0.624
76 HB3 MH6 14 HB3 MH6 14 7.035 1.353 -1.608
77 HB BB9 15 HB BB9 15 8.140 4.007 3.596
78 H DHA 16 H DHA 16 9.782 0.880 0.796
79 HB1 DHA 16 HB1 DHA 16 12.554 1.776 3.083
80 HB2 DHA 16 HB2 DHA 16 13.674 0.495 2.316
81 H DHA 17 HN DHA 17 13.820 -0.728 1.093
82 HB1 DHA 17 HB1 DHA 17 11.611 -2.477 -1.309
83 HB2 DHA 17 HB2 DHA 17 13.011 -3.569 -1.884
84 HN1 NH2 18 HT1 DHA 17 16.285 -3.765 -1.048
85 HN2 NH2 18 HT2 DHA 17 14.731 -3.973 -1.723
Start of MODEL 9
1 HC3 QUA 0 HC3 QUA 0 -0.471 -2.069 -2.458
2 HC8 QUA 0 HC8 QUA 0 -5.249 -2.282 0.742
3 H16 QUA 0 H16 QUA 0 -5.947 -0.569 -1.417
4 HC71 QUA 0 HC71 QUA 0 -7.313 -2.941 -0.673
5 H13 QUA 0 H13 QUA 0 -3.107 -2.719 -4.895
6 H15 QUA 0 H15 QUA 0 -0.550 -3.144 -5.190
7 HC5 QUA 0 HC5 QUA 0 -4.950 -3.103 -4.095
8 H141 QUA 0 H141 QUA 0 -3.094 -4.967 -3.909
9 H142 QUA 0 H142 QUA 0 -1.348 -4.853 -3.693
10 H143 QUA 0 H143 QUA 0 -2.036 -4.862 -5.316
11 HC6 QUA 0 HC6 QUA 0 -6.963 -3.630 -3.023
12 H ILE 1 H ILE 1 -5.036 -4.734 -0.456
13 HA ILE 1 HA ILE 1 -6.857 -3.794 1.400
14 HB ILE 1 HB ILE 1 -7.450 -6.054 2.344
15 HG12 ILE 1 HG12 ILE 1 -6.840 -6.997 -0.469
16 HG13 ILE 1 HG13 ILE 1 -5.812 -7.319 0.922
17 HG21 ILE 1 HG21 ILE 1 -9.043 -4.560 1.171
18 HG22 ILE 1 HG22 ILE 1 -9.442 -6.269 1.013
19 HG23 ILE 1 HG23 ILE 1 -8.685 -5.412 -0.330
20 HD11 ILE 1 HD11 ILE 1 -7.727 -8.499 1.977
21 HD12 ILE 1 HD12 ILE 1 -7.141 -9.247 0.492
22 HD13 ILE 1 HD13 ILE 1 -8.621 -8.290 0.471
23 H ALA 2 H ALA 2 -4.033 -5.261 0.335
24 HA ALA 2 HA ALA 2 -2.606 -4.726 2.718
25 HB1 ALA 2 HB1 ALA 2 -3.886 -6.740 3.413
26 HB2 ALA 2 HB2 ALA 2 -2.135 -6.944 3.489
27 HB3 ALA 2 HB3 ALA 2 -3.050 -7.650 2.156
28 H DHA 3 H DHA 3 -0.625 -4.314 2.105
29 HB1 DHA 3 HB1 DHA 3 -0.104 -5.719 -1.281
30 HB2 DHA 3 HB2 DHA 3 1.538 -4.846 -1.442
31 H ALA 4 H ALA 4 2.760 -3.863 -0.627
32 HA ALA 4 HA ALA 4 3.070 -1.795 1.430
33 HB1 ALA 4 HB1 ALA 4 5.286 -3.631 0.523
34 HB2 ALA 4 HB2 ALA 4 4.459 -3.717 2.079
35 HB3 ALA 4 HB3 ALA 4 5.434 -2.302 1.674
36 H SER 5 H SER 5 3.203 0.117 0.440
37 HB2 SER 5 HB2 SER 5 5.324 -0.249 -2.663
38 HB3 SER 5 HB3 SER 5 5.186 1.482 -2.959
39 HB BB9 6 HB BB9 6 1.065 -1.178 -5.312
40 H THR 7 H THR 7 -0.530 1.859 -2.337
41 HA THR 7 HA THR 7 -2.882 1.811 -4.098
42 HB THR 7 HB THR 7 -3.412 0.301 -2.270
43 HG1 THR 7 HG1 THR 7 -4.785 2.664 -1.587
44 HG21 THR 7 HG21 THR 7 -1.782 1.327 -0.645
45 HG22 THR 7 HG22 THR 7 -3.359 0.921 0.030
46 HG23 THR 7 HG23 THR 7 -2.975 2.596 -0.363
47 H DBU 8 H1 DBU 8 -4.435 3.577 -3.439
48 HB DBU 8 HB1 DBU 8 -3.680 7.557 -3.582
49 HG1 DBU 8 HG1 DBU 8 -2.230 7.133 -5.458
50 HG2 DBU 8 HG2 DBU 8 -2.932 5.523 -5.614
51 HG3 DBU 8 HG3 DBU 8 -1.555 5.784 -4.543
52 HA DCY 9 HA DCY 9 -7.315 5.701 -0.495
53 HB2 DCY 9 HB2 DCY 9 -6.695 7.766 0.355
54 HB3 DCY 9 HB3 DCY 9 -5.047 7.220 0.750
55 H TS9 10 HN1 TS9 10 -5.849 3.214 0.448
56 HA TS9 10 HA TS9 10 -7.021 3.395 3.083
57 HG3 TS9 10 HG3 TS9 10 -5.056 0.277 2.159
58 HG21 TS9 10 HG21 TS9 10 -7.129 -0.319 3.300
59 HG22 TS9 10 HG22 TS9 10 -7.750 1.171 4.010
60 HG23 TS9 10 HG23 TS9 10 -6.041 0.766 4.158
61 HG1 TS9 10 HG1 TS9 10 -7.648 1.899 0.365
62 HD2 TS9 10 HD2 TS9 10 -8.660 3.237 1.752
63 HD11 TS9 10 HD11 TS9 10 -9.201 0.182 0.202
64 HD12 TS9 10 HD12 TS9 10 -9.139 -0.172 1.928
65 HD13 TS9 10 HD13 TS9 10 -7.793 -0.629 0.887
66 HB BB9 11 HB BB9 11 -2.703 3.814 5.897
67 H THR 12 H THR 12 -1.921 1.442 2.082
68 HA THR 12 HA THR 12 0.755 1.349 3.305
69 HB THR 12 HB THR 12 1.157 -0.636 1.774
70 HG21 THR 12 HG21 THR 12 -0.730 -0.621 4.090
71 HG22 THR 12 HG22 THR 12 0.936 -1.198 3.993
72 HG23 THR 12 HG23 THR 12 -0.365 -2.128 3.248
73 HB BB9 13 HB BB9 13 1.270 4.144 -1.361
74 HC BB9 13 HC BB9 13 3.504 2.841 -1.897
75 HB2 MH6 14 HB2 MH6 14 6.336 0.051 -0.596
76 HB3 MH6 14 HB3 MH6 14 7.052 1.318 -1.585
77 HB BB9 15 HB BB9 15 8.119 4.104 3.555
78 H DHA 16 H DHA 16 9.795 0.900 0.866
79 HB1 DHA 16 HB1 DHA 16 12.554 1.928 3.113
80 HB2 DHA 16 HB2 DHA 16 13.690 0.630 2.402
81 H DHA 17 HN DHA 17 13.837 -0.667 1.272
82 HB1 DHA 17 HB1 DHA 17 11.754 -2.364 -1.278
83 HB2 DHA 17 HB2 DHA 17 13.153 -3.516 -1.726
84 HN1 NH2 18 HT1 DHA 17 16.323 -3.854 -0.589
85 HN2 NH2 18 HT2 DHA 17 14.833 -3.993 -1.409
Start of MODEL 10
1 HC3 QUA 0 HC3 QUA 0 -0.518 -1.977 -2.478
2 HC8 QUA 0 HC8 QUA 0 -5.221 -2.413 0.802
3 H16 QUA 0 H16 QUA 0 -6.752 -0.951 -0.911
4 HC71 QUA 0 HC71 QUA 0 -7.315 -3.003 -0.612
5 H13 QUA 0 H13 QUA 0 -3.176 -2.562 -4.891
6 H15 QUA 0 H15 QUA 0 -1.191 -2.288 -5.754
7 HC5 QUA 0 HC5 QUA 0 -5.000 -3.043 -4.067
8 H141 QUA 0 H141 QUA 0 -3.177 -4.851 -3.973
9 H142 QUA 0 H142 QUA 0 -1.423 -4.770 -3.815
10 H143 QUA 0 H143 QUA 0 -2.169 -4.706 -5.412
11 HC6 QUA 0 HC6 QUA 0 -6.989 -3.630 -2.984
12 H ILE 1 H ILE 1 -5.044 -4.811 -0.484
13 HA ILE 1 HA ILE 1 -6.796 -3.904 1.436
14 HB ILE 1 HB ILE 1 -7.490 -6.155 2.304
15 HG12 ILE 1 HG12 ILE 1 -6.916 -7.054 -0.531
16 HG13 ILE 1 HG13 ILE 1 -5.912 -7.459 0.856
17 HG21 ILE 1 HG21 ILE 1 -9.035 -4.583 1.195
18 HG22 ILE 1 HG22 ILE 1 -9.485 -6.269 0.942
19 HG23 ILE 1 HG23 ILE 1 -8.691 -5.366 -0.348
20 HD11 ILE 1 HD11 ILE 1 -7.885 -8.574 1.873
21 HD12 ILE 1 HD12 ILE 1 -7.327 -9.312 0.372
22 HD13 ILE 1 HD13 ILE 1 -8.760 -8.286 0.369
23 H ALA 2 H ALA 2 -4.011 -5.255 0.262
24 HA ALA 2 HA ALA 2 -2.569 -5.011 2.676
25 HB1 ALA 2 HB1 ALA 2 -3.860 -7.064 3.183
26 HB2 ALA 2 HB2 ALA 2 -2.113 -7.314 3.189
27 HB3 ALA 2 HB3 ALA 2 -3.079 -7.851 1.814
28 H DHA 3 H DHA 3 -0.642 -4.462 2.032
29 HB1 DHA 3 HB1 DHA 3 0.013 -5.826 -1.352
30 HB2 DHA 3 HB2 DHA 3 1.626 -4.895 -1.466
31 H ALA 4 H ALA 4 2.802 -3.894 -0.606
32 HA ALA 4 HA ALA 4 2.981 -1.791 1.434
33 HB1 ALA 4 HB1 ALA 4 5.271 -3.591 0.641
34 HB2 ALA 4 HB2 ALA 4 4.399 -3.652 2.173
35 HB3 ALA 4 HB3 ALA 4 5.354 -2.228 1.758
36 H SER 5 H SER 5 3.206 0.131 0.468
37 HB2 SER 5 HB2 SER 5 5.336 -0.273 -2.619
38 HB3 SER 5 HB3 SER 5 5.217 1.456 -2.929
39 HB BB9 6 HB BB9 6 1.094 -1.176 -5.298
40 H THR 7 H THR 7 -0.518 1.855 -2.322
41 HA THR 7 HA THR 7 -2.842 1.834 -4.119
42 HB THR 7 HB THR 7 -3.372 0.285 -2.309
43 HG1 THR 7 HG1 THR 7 -5.262 1.453 -1.531
44 HG21 THR 7 HG21 THR 7 -3.056 2.591 -0.389
45 HG22 THR 7 HG22 THR 7 -1.822 1.354 -0.631
46 HG23 THR 7 HG23 THR 7 -3.409 0.907 -0.008
47 H DBU 8 H1 DBU 8 -4.392 3.584 -3.513
48 HB DBU 8 HB1 DBU 8 -3.672 7.568 -3.575
49 HG1 DBU 8 HG1 DBU 8 -2.114 7.186 -5.370
50 HG2 DBU 8 HG2 DBU 8 -2.886 5.626 -5.650
51 HG3 DBU 8 HG3 DBU 8 -1.542 5.752 -4.514
52 HA DCY 9 HA DCY 9 -7.330 5.554 -0.539
53 HB2 DCY 9 HB2 DCY 9 -6.874 7.694 0.218
54 HB3 DCY 9 HB3 DCY 9 -5.200 7.288 0.668
55 H TS9 10 HN1 TS9 10 -5.929 3.162 0.472
56 HA TS9 10 HA TS9 10 -7.017 3.452 3.124
57 HG3 TS9 10 HG3 TS9 10 -5.400 -0.018 2.093
58 HG21 TS9 10 HG21 TS9 10 -7.702 1.278 4.171
59 HG22 TS9 10 HG22 TS9 10 -6.001 0.821 4.252
60 HG23 TS9 10 HG23 TS9 10 -7.165 -0.249 3.476
61 HG1 TS9 10 HG1 TS9 10 -7.737 1.900 0.498
62 HD2 TS9 10 HD2 TS9 10 -9.702 2.380 1.633
63 HD11 TS9 10 HD11 TS9 10 -9.091 -0.212 2.149
64 HD12 TS9 10 HD12 TS9 10 -7.851 -0.608 0.961
65 HD13 TS9 10 HD13 TS9 10 -9.338 0.187 0.449
66 HB BB9 11 HB BB9 11 -2.654 3.912 5.861
67 H THR 12 H THR 12 -1.922 1.466 2.085
68 HA THR 12 HA THR 12 0.755 1.369 3.306
69 HB THR 12 HB THR 12 1.146 -0.623 1.777
70 HG21 THR 12 HG21 THR 12 -0.733 -0.584 4.098
71 HG22 THR 12 HG22 THR 12 0.926 -1.183 3.995
72 HG23 THR 12 HG23 THR 12 -0.389 -2.098 3.258
73 HB BB9 13 HB BB9 13 1.302 4.156 -1.358
74 HC BB9 13 HC BB9 13 3.531 2.838 -1.884
75 HB2 MH6 14 HB2 MH6 14 6.332 0.032 -0.547
76 HB3 MH6 14 HB3 MH6 14 7.073 1.277 -1.544
77 HB BB9 15 HB BB9 15 8.165 4.087 3.569
78 H DHA 16 H DHA 16 9.814 0.892 0.853
79 HB1 DHA 16 HB1 DHA 16 12.657 2.068 2.911
80 HB2 DHA 16 HB2 DHA 16 13.786 0.764 2.198
81 H DHA 17 HN DHA 17 13.917 -0.558 1.084
82 HB1 DHA 17 HB1 DHA 17 11.664 -2.594 -1.032
83 HB2 DHA 17 HB2 DHA 17 13.078 -3.680 -1.586
84 HN1 NH2 18 HT1 DHA 17 16.392 -3.684 -0.908
85 HN2 NH2 18 HT2 DHA 17 14.816 -4.006 -1.480
Start of MODEL 11
1 HC3 QUA 0 HC3 QUA 0 -0.485 -2.098 -2.440
2 HC8 QUA 0 HC8 QUA 0 -5.282 -2.260 0.733
3 H16 QUA 0 H16 QUA 0 -5.325 -0.128 -0.523
4 HC71 QUA 0 HC71 QUA 0 -7.332 -2.952 -0.676
5 H13 QUA 0 H13 QUA 0 -3.115 -2.741 -4.888
6 H15 QUA 0 H15 QUA 0 -0.471 -3.189 -4.985
7 HC5 QUA 0 HC5 QUA 0 -4.964 -3.102 -4.100
8 H141 QUA 0 H141 QUA 0 -1.412 -4.882 -3.616
9 H142 QUA 0 H142 QUA 0 -1.984 -4.888 -5.285
10 H143 QUA 0 H143 QUA 0 -3.140 -4.985 -3.956
11 HC6 QUA 0 HC6 QUA 0 -6.982 -3.626 -3.029
12 H ILE 1 H ILE 1 -5.041 -4.732 -0.479
13 HA ILE 1 HA ILE 1 -6.842 -3.788 1.400
14 HB ILE 1 HB ILE 1 -7.383 -6.039 2.384
15 HG12 ILE 1 HG12 ILE 1 -6.806 -7.029 -0.418
16 HG13 ILE 1 HG13 ILE 1 -5.734 -7.292 0.952
17 HG21 ILE 1 HG21 ILE 1 -9.382 -6.322 1.061
18 HG22 ILE 1 HG22 ILE 1 -8.653 -5.449 -0.286
19 HG23 ILE 1 HG23 ILE 1 -9.022 -4.604 1.216
20 HD11 ILE 1 HD11 ILE 1 -7.584 -8.494 2.088
21 HD12 ILE 1 HD12 ILE 1 -7.030 -9.261 0.600
22 HD13 ILE 1 HD13 ILE 1 -8.532 -8.336 0.609
23 H ALA 2 H ALA 2 -4.020 -5.278 0.312
24 HA ALA 2 HA ALA 2 -2.560 -4.631 2.651
25 HB1 ALA 2 HB1 ALA 2 -2.040 -6.815 3.484
26 HB2 ALA 2 HB2 ALA 2 -2.960 -7.579 2.188
27 HB3 ALA 2 HB3 ALA 2 -3.796 -6.643 3.428
28 H DHA 3 H DHA 3 -0.531 -4.342 2.105
29 HB1 DHA 3 HB1 DHA 3 0.006 -5.757 -1.278
30 HB2 DHA 3 HB2 DHA 3 1.650 -4.885 -1.430
31 H ALA 4 H ALA 4 2.879 -3.906 -0.590
32 HA ALA 4 HA ALA 4 3.127 -1.797 1.442
33 HB1 ALA 4 HB1 ALA 4 5.401 -3.553 0.524
34 HB2 ALA 4 HB2 ALA 4 4.565 -3.704 2.071
35 HB3 ALA 4 HB3 ALA 4 5.488 -2.245 1.706
36 H SER 5 H SER 5 3.189 0.107 0.444
37 HB2 SER 5 HB2 SER 5 5.316 -0.217 -2.668
38 HB3 SER 5 HB3 SER 5 5.155 1.512 -2.959
39 HB BB9 6 HB BB9 6 1.059 -1.183 -5.302
40 H THR 7 H THR 7 -0.557 1.842 -2.323
41 HA THR 7 HA THR 7 -2.893 1.810 -4.107
42 HB THR 7 HB THR 7 -3.439 0.289 -2.291
43 HG1 THR 7 HG1 THR 7 -5.095 2.015 -1.288
44 HG21 THR 7 HG21 THR 7 -3.434 0.922 0.017
45 HG22 THR 7 HG22 THR 7 -3.001 2.583 -0.381
46 HG23 THR 7 HG23 THR 7 -1.837 1.284 -0.634
47 H DBU 8 H1 DBU 8 -4.446 3.582 -3.450
48 HB DBU 8 HB1 DBU 8 -3.665 7.551 -3.623
49 HG1 DBU 8 HG1 DBU 8 -2.220 7.097 -5.496
50 HG2 DBU 8 HG2 DBU 8 -2.971 5.510 -5.655
51 HG3 DBU 8 HG3 DBU 8 -1.581 5.724 -4.592
52 HA DCY 9 HA DCY 9 -7.284 5.768 -0.482
53 HB2 DCY 9 HB2 DCY 9 -6.620 7.824 0.361
54 HB3 DCY 9 HB3 DCY 9 -4.978 7.249 0.740
55 H TS9 10 HN1 TS9 10 -5.865 3.254 0.436
56 HA TS9 10 HA TS9 10 -7.033 3.434 3.069
57 HG3 TS9 10 HG3 TS9 10 -5.336 0.040 2.031
58 HG21 TS9 10 HG21 TS9 10 -6.110 0.776 4.135
59 HG22 TS9 10 HG22 TS9 10 -7.226 -0.267 3.259
60 HG23 TS9 10 HG23 TS9 10 -7.801 1.241 3.970
61 HG1 TS9 10 HG1 TS9 10 -7.620 1.974 0.323
62 HD2 TS9 10 HD2 TS9 10 -9.220 1.913 2.675
63 HD11 TS9 10 HD11 TS9 10 -9.077 0.229 0.027
64 HD12 TS9 10 HD12 TS9 10 -9.235 -0.075 1.756
65 HD13 TS9 10 HD13 TS9 10 -7.781 -0.585 0.902
66 HB BB9 11 HB BB9 11 -2.722 3.807 5.903
67 H THR 12 H THR 12 -1.944 1.438 2.087
68 HA THR 12 HA THR 12 0.731 1.336 3.315
69 HB THR 12 HB THR 12 1.131 -0.648 1.782
70 HG21 THR 12 HG21 THR 12 -0.780 -0.654 4.083
71 HG22 THR 12 HG22 THR 12 0.905 -1.178 4.018
72 HG23 THR 12 HG23 THR 12 -0.351 -2.152 3.256
73 HB BB9 13 HB BB9 13 1.239 4.130 -1.350
74 HC BB9 13 HC BB9 13 3.491 2.853 -1.869
75 HB2 MH6 14 HB2 MH6 14 6.357 0.085 -0.624
76 HB3 MH6 14 HB3 MH6 14 7.028 1.384 -1.602
77 HB BB9 15 HB BB9 15 8.111 3.983 3.640
78 H DHA 16 H DHA 16 9.806 0.998 0.723
79 HB1 DHA 16 HB1 DHA 16 12.591 1.904 2.992
80 HB2 DHA 16 HB2 DHA 16 13.745 0.713 2.134
81 H DHA 17 HN DHA 17 13.913 -0.438 0.841
82 HB1 DHA 17 HB1 DHA 17 11.714 -2.156 -1.591
83 HB2 DHA 17 HB2 DHA 17 13.146 -3.145 -2.269
84 HN1 NH2 18 HT1 DHA 17 16.450 -3.223 -1.542
85 HN2 NH2 18 HT2 DHA 17 14.887 -3.470 -2.181
Start of MODEL 12
1 HC3 QUA 0 HC3 QUA 0 -0.520 -1.948 -2.459
2 HC8 QUA 0 HC8 QUA 0 -5.237 -2.375 0.809
3 H16 QUA 0 H16 QUA 0 -5.363 -0.202 -0.626
4 HC71 QUA 0 HC71 QUA 0 -7.317 -2.992 -0.600
5 H13 QUA 0 H13 QUA 0 -3.170 -2.482 -4.886
6 H15 QUA 0 H15 QUA 0 -1.104 -2.400 -5.732
7 HC5 QUA 0 HC5 QUA 0 -5.013 -2.965 -4.066
8 H141 QUA 0 H141 QUA 0 -1.534 -4.748 -3.751
9 H142 QUA 0 H142 QUA 0 -2.112 -4.640 -5.413
10 H143 QUA 0 H143 QUA 0 -3.266 -4.774 -4.086
11 HC6 QUA 0 HC6 QUA 0 -7.002 -3.563 -2.985
12 H ILE 1 H ILE 1 -5.006 -4.745 -0.486
13 HA ILE 1 HA ILE 1 -6.849 -3.954 1.406
14 HB ILE 1 HB ILE 1 -7.418 -6.292 2.194
15 HG12 ILE 1 HG12 ILE 1 -6.828 -6.992 -0.693
16 HG13 ILE 1 HG13 ILE 1 -5.798 -7.436 0.663
17 HG21 ILE 1 HG21 ILE 1 -8.692 -5.458 -0.407
18 HG22 ILE 1 HG22 ILE 1 -9.021 -4.701 1.151
19 HG23 ILE 1 HG23 ILE 1 -9.430 -6.396 0.890
20 HD11 ILE 1 HD11 ILE 1 -7.109 -9.325 0.111
21 HD12 ILE 1 HD12 ILE 1 -8.593 -8.374 0.095
22 HD13 ILE 1 HD13 ILE 1 -7.755 -8.672 1.617
23 H ALA 2 H ALA 2 -4.005 -5.311 0.268
24 HA ALA 2 HA ALA 2 -2.593 -4.932 2.683
25 HB1 ALA 2 HB1 ALA 2 -3.071 -7.814 1.953
26 HB2 ALA 2 HB2 ALA 2 -3.855 -6.969 3.286
27 HB3 ALA 2 HB3 ALA 2 -2.107 -7.209 3.300
28 H DHA 3 H DHA 3 -0.649 -4.418 2.060
29 HB1 DHA 3 HB1 DHA 3 -0.018 -5.796 -1.319
30 HB2 DHA 3 HB2 DHA 3 1.604 -4.881 -1.442
31 H ALA 4 H ALA 4 2.801 -3.901 -0.579
32 HA ALA 4 HA ALA 4 2.995 -1.794 1.455
33 HB1 ALA 4 HB1 ALA 4 4.405 -3.672 2.184
34 HB2 ALA 4 HB2 ALA 4 5.360 -2.242 1.787
35 HB3 ALA 4 HB3 ALA 4 5.283 -3.593 0.656
36 H SER 5 H SER 5 3.177 0.117 0.470
37 HB2 SER 5 HB2 SER 5 5.334 -0.279 -2.604
38 HB3 SER 5 HB3 SER 5 5.208 1.448 -2.917
39 HB BB9 6 HB BB9 6 1.120 -1.205 -5.305
40 H THR 7 H THR 7 -0.510 1.895 -2.408
41 HA THR 7 HA THR 7 -2.799 1.866 -4.245
42 HB THR 7 HB THR 7 -3.357 0.291 -2.458
43 HG1 THR 7 HG1 THR 7 -5.226 1.660 -1.611
44 HG21 THR 7 HG21 THR 7 -3.499 0.918 -0.155
45 HG22 THR 7 HG22 THR 7 -3.126 2.600 -0.528
46 HG23 THR 7 HG23 THR 7 -1.887 1.359 -0.720
47 H DBU 8 H1 DBU 8 -4.415 3.575 -3.516
48 HB DBU 8 HB1 DBU 8 -3.740 7.571 -3.579
49 HG1 DBU 8 HG1 DBU 8 -2.252 7.222 -5.440
50 HG2 DBU 8 HG2 DBU 8 -2.969 5.628 -5.674
51 HG3 DBU 8 HG3 DBU 8 -1.597 5.824 -4.584
52 HA DCY 9 HA DCY 9 -7.295 5.496 -0.477
53 HB2 DCY 9 HB2 DCY 9 -6.838 7.632 0.292
54 HB3 DCY 9 HB3 DCY 9 -5.149 7.239 0.688
55 H TS9 10 HN1 TS9 10 -5.996 3.088 0.498
56 HA TS9 10 HA TS9 10 -7.013 3.390 3.161
57 HG3 TS9 10 HG3 TS9 10 -5.465 0.981 0.875
58 HG21 TS9 10 HG21 TS9 10 -7.832 1.240 4.129
59 HG22 TS9 10 HG22 TS9 10 -6.127 0.876 4.390
60 HG23 TS9 10 HG23 TS9 10 -7.158 -0.287 3.561
61 HG1 TS9 10 HG1 TS9 10 -7.557 1.724 0.456
62 HD2 TS9 10 HD2 TS9 10 -8.901 3.042 1.398
63 HD11 TS9 10 HD11 TS9 10 -7.751 -0.755 1.160
64 HD12 TS9 10 HD12 TS9 10 -9.121 0.011 0.358
65 HD13 TS9 10 HD13 TS9 10 -9.134 -0.212 2.107
66 HB BB9 11 HB BB9 11 -2.644 3.937 5.873
67 H THR 12 H THR 12 -1.920 1.450 2.125
68 HA THR 12 HA THR 12 0.764 1.363 3.327
69 HB THR 12 HB THR 12 1.148 -0.636 1.811
70 HG21 THR 12 HG21 THR 12 0.921 -1.153 4.048
71 HG22 THR 12 HG22 THR 12 -0.361 -2.110 3.303
72 HG23 THR 12 HG23 THR 12 -0.750 -0.594 4.121
73 HB BB9 13 HB BB9 13 1.273 4.126 -1.359
74 HC BB9 13 HC BB9 13 3.511 2.826 -1.877
75 HB2 MH6 14 HB2 MH6 14 6.321 0.033 -0.529
76 HB3 MH6 14 HB3 MH6 14 7.063 1.277 -1.527
77 HB BB9 15 HB BB9 15 8.169 4.093 3.567
78 H DHA 16 H DHA 16 9.791 0.923 0.808
79 HB1 DHA 16 HB1 DHA 16 12.630 1.955 2.944
80 HB2 DHA 16 HB2 DHA 16 13.726 0.626 2.224
81 H DHA 17 HN DHA 17 13.808 -0.728 1.130
82 HB1 DHA 17 HB1 DHA 17 11.652 -2.320 -1.425
83 HB2 DHA 17 HB2 DHA 17 12.972 -3.577 -1.830
84 HN1 NH2 18 HT1 DHA 17 16.074 -4.148 -0.609
85 HN2 NH2 18 HT2 DHA 17 14.600 -4.177 -1.468
Start of MODEL 13
1 HC3 QUA 0 HC3 QUA 0 -0.469 -2.054 -2.436
2 HC8 QUA 0 HC8 QUA 0 -5.256 -2.212 0.752
3 H16 QUA 0 H16 QUA 0 -6.343 -0.662 -1.346
4 HC71 QUA 0 HC71 QUA 0 -7.330 -2.822 -0.673
5 H13 QUA 0 H13 QUA 0 -3.106 -2.662 -4.881
6 H15 QUA 0 H15 QUA 0 -0.330 -2.766 -4.259
7 HC5 QUA 0 HC5 QUA 0 -4.957 -3.028 -4.086
8 H141 QUA 0 H141 QUA 0 -2.041 -4.825 -5.295
9 H142 QUA 0 H142 QUA 0 -3.151 -4.910 -3.926
10 H143 QUA 0 H143 QUA 0 -1.411 -4.830 -3.647
11 HC6 QUA 0 HC6 QUA 0 -6.982 -3.522 -3.021
12 H ILE 1 H ILE 1 -5.101 -4.677 -0.473
13 HA ILE 1 HA ILE 1 -6.838 -3.668 1.420
14 HB ILE 1 HB ILE 1 -7.511 -5.902 2.377
15 HG12 ILE 1 HG12 ILE 1 -7.043 -6.870 -0.454
16 HG13 ILE 1 HG13 ILE 1 -5.959 -7.223 0.887
17 HG21 ILE 1 HG21 ILE 1 -8.760 -5.141 -0.261
18 HG22 ILE 1 HG22 ILE 1 -9.077 -4.351 1.283
19 HG23 ILE 1 HG23 ILE 1 -9.534 -6.037 1.046
20 HD11 ILE 1 HD11 ILE 1 -8.829 -8.081 0.614
21 HD12 ILE 1 HD12 ILE 1 -7.831 -8.350 2.043
22 HD13 ILE 1 HD13 ILE 1 -7.395 -9.101 0.507
23 H ALA 2 H ALA 2 -4.082 -5.152 0.289
24 HA ALA 2 HA ALA 2 -2.615 -4.741 2.672
25 HB1 ALA 2 HB1 ALA 2 -3.173 -7.623 1.995
26 HB2 ALA 2 HB2 ALA 2 -3.897 -6.741 3.338
27 HB3 ALA 2 HB3 ALA 2 -2.155 -7.025 3.306
28 H DHA 3 H DHA 3 -0.624 -4.375 2.080
29 HB1 DHA 3 HB1 DHA 3 -0.057 -5.761 -1.312
30 HB2 DHA 3 HB2 DHA 3 1.586 -4.885 -1.443
31 H ALA 4 H ALA 4 2.810 -3.920 -0.586
32 HA ALA 4 HA ALA 4 3.037 -1.806 1.440
33 HB1 ALA 4 HB1 ALA 4 5.404 -2.266 1.734
34 HB2 ALA 4 HB2 ALA 4 5.303 -3.614 0.600
35 HB3 ALA 4 HB3 ALA 4 4.449 -3.692 2.142
36 H SER 5 H SER 5 3.212 0.106 0.458
37 HB2 SER 5 HB2 SER 5 5.340 -0.290 -2.630
38 HB3 SER 5 HB3 SER 5 5.211 1.436 -2.950
39 HB BB9 6 HB BB9 6 1.087 -1.179 -5.311
40 H THR 7 H THR 7 -0.502 1.906 -2.371
41 HA THR 7 HA THR 7 -2.841 1.843 -4.143
42 HB THR 7 HB THR 7 -3.353 0.285 -2.333
43 HG1 THR 7 HG1 THR 7 -4.776 2.708 -1.890
44 HG21 THR 7 HG21 THR 7 -3.060 2.597 -0.418
45 HG22 THR 7 HG22 THR 7 -1.821 1.363 -0.650
46 HG23 THR 7 HG23 THR 7 -3.410 0.913 -0.031
47 H DBU 8 H1 DBU 8 -4.418 3.563 -3.520
48 HB DBU 8 HB1 DBU 8 -3.790 7.560 -3.560
49 HG1 DBU 8 HG1 DBU 8 -2.984 5.618 -5.642
50 HG2 DBU 8 HG2 DBU 8 -1.622 5.833 -4.544
51 HG3 DBU 8 HG3 DBU 8 -2.284 7.220 -5.408
52 HA DCY 9 HA DCY 9 -7.362 5.466 -0.494
53 HB2 DCY 9 HB2 DCY 9 -6.920 7.598 0.287
54 HB3 DCY 9 HB3 DCY 9 -5.238 7.204 0.713
55 H TS9 10 HN1 TS9 10 -5.977 3.067 0.462
56 HA TS9 10 HA TS9 10 -7.037 3.300 3.122
57 HG3 TS9 10 HG3 TS9 10 -5.067 1.281 1.102
58 HG21 TS9 10 HG21 TS9 10 -7.081 -0.393 3.452
59 HG22 TS9 10 HG22 TS9 10 -7.827 1.096 4.030
60 HG23 TS9 10 HG23 TS9 10 -6.113 0.797 4.317
61 HG1 TS9 10 HG1 TS9 10 -7.512 1.652 0.373
62 HD2 TS9 10 HD2 TS9 10 -9.403 1.692 2.443
63 HD11 TS9 10 HD11 TS9 10 -7.684 -0.837 1.090
64 HD12 TS9 10 HD12 TS9 10 -9.032 -0.088 0.236
65 HD13 TS9 10 HD13 TS9 10 -9.105 -0.300 1.985
66 HB BB9 11 HB BB9 11 -2.686 3.907 5.852
67 H THR 12 H THR 12 -1.909 1.455 2.088
68 HA THR 12 HA THR 12 0.766 1.374 3.314
69 HB THR 12 HB THR 12 1.164 -0.623 1.796
70 HG21 THR 12 HG21 THR 12 -0.729 -0.583 4.106
71 HG22 THR 12 HG22 THR 12 0.937 -1.158 4.022
72 HG23 THR 12 HG23 THR 12 -0.358 -2.098 3.281
73 HB BB9 13 HB BB9 13 1.304 4.130 -1.373
74 HC BB9 13 HC BB9 13 3.543 2.821 -1.883
75 HB2 MH6 14 HB2 MH6 14 6.369 0.028 -0.580
76 HB3 MH6 14 HB3 MH6 14 7.073 1.295 -1.576
77 HB BB9 15 HB BB9 15 8.140 4.020 3.610
78 H DHA 16 H DHA 16 9.882 0.992 0.760
79 HB1 DHA 16 HB1 DHA 16 12.628 2.003 3.029
80 HB2 DHA 16 HB2 DHA 16 13.789 0.754 2.271
81 H DHA 17 HN DHA 17 13.950 -0.523 1.124
82 HB1 DHA 17 HB1 DHA 17 12.006 -1.983 -1.660
83 HB2 DHA 17 HB2 DHA 17 13.357 -3.220 -2.026
84 HN1 NH2 18 HT1 DHA 17 16.342 -3.878 -0.575
85 HN2 NH2 18 HT2 DHA 17 14.947 -3.850 -1.557
Start of MODEL 14
1 HC3 QUA 0 HC3 QUA 0 -0.555 -2.082 -2.479
2 HC8 QUA 0 HC8 QUA 0 -5.301 -2.179 0.772
3 H16 QUA 0 H16 QUA 0 -5.374 -0.031 -0.259
4 HC71 QUA 0 HC71 QUA 0 -7.383 -2.837 -0.604
5 H13 QUA 0 H13 QUA 0 -3.230 -2.665 -4.889
6 H15 QUA 0 H15 QUA 0 -1.392 -1.883 -5.545
7 HC5 QUA 0 HC5 QUA 0 -5.079 -3.006 -4.069
8 H141 QUA 0 H141 QUA 0 -2.178 -4.840 -5.314
9 H142 QUA 0 H142 QUA 0 -3.296 -4.913 -3.952
10 H143 QUA 0 H143 QUA 0 -1.556 -4.855 -3.664
11 HC6 QUA 0 HC6 QUA 0 -7.087 -3.501 -2.966
12 H ILE 1 H ILE 1 -5.115 -4.651 -0.465
13 HA ILE 1 HA ILE 1 -6.885 -3.716 1.459
14 HB ILE 1 HB ILE 1 -7.321 -6.031 2.427
15 HG12 ILE 1 HG12 ILE 1 -7.026 -6.897 -0.453
16 HG13 ILE 1 HG13 ILE 1 -5.768 -7.151 0.751
17 HG21 ILE 1 HG21 ILE 1 -9.058 -4.560 1.484
18 HG22 ILE 1 HG22 ILE 1 -9.411 -6.268 1.229
19 HG23 ILE 1 HG23 ILE 1 -8.790 -5.288 -0.099
20 HD11 ILE 1 HD11 ILE 1 -7.076 -9.153 0.462
21 HD12 ILE 1 HD12 ILE 1 -8.559 -8.271 0.825
22 HD13 ILE 1 HD13 ILE 1 -7.335 -8.491 2.076
23 H ALA 2 H ALA 2 -4.077 -5.212 0.307
24 HA ALA 2 HA ALA 2 -2.578 -4.610 2.641
25 HB1 ALA 2 HB1 ALA 2 -2.092 -6.792 3.459
26 HB2 ALA 2 HB2 ALA 2 -2.978 -7.548 2.134
27 HB3 ALA 2 HB3 ALA 2 -3.847 -6.636 3.368
28 H DHA 3 H DHA 3 -0.570 -4.302 2.065
29 HB1 DHA 3 HB1 DHA 3 -0.017 -5.752 -1.300
30 HB2 DHA 3 HB2 DHA 3 1.634 -4.894 -1.446
31 H ALA 4 H ALA 4 2.857 -3.905 -0.615
32 HA ALA 4 HA ALA 4 3.133 -1.816 1.434
33 HB1 ALA 4 HB1 ALA 4 4.535 -3.713 2.091
34 HB2 ALA 4 HB2 ALA 4 5.509 -2.306 1.660
35 HB3 ALA 4 HB3 ALA 4 5.350 -3.650 0.528
36 H SER 5 H SER 5 3.223 0.099 0.445
37 HB2 SER 5 HB2 SER 5 5.374 -0.238 -2.643
38 HB3 SER 5 HB3 SER 5 5.221 1.491 -2.942
39 HB BB9 6 HB BB9 6 1.141 -1.201 -5.320
40 H THR 7 H THR 7 -0.498 1.840 -2.369
41 HA THR 7 HA THR 7 -2.813 1.803 -4.177
42 HB THR 7 HB THR 7 -3.345 0.252 -2.365
43 HG1 THR 7 HG1 THR 7 -5.262 1.390 -1.630
44 HG21 THR 7 HG21 THR 7 -3.435 0.899 -0.066
45 HG22 THR 7 HG22 THR 7 -3.066 2.577 -0.462
46 HG23 THR 7 HG23 THR 7 -1.834 1.331 -0.668
47 H DBU 8 H1 DBU 8 -4.408 3.532 -3.456
48 HB DBU 8 HB1 DBU 8 -3.691 7.526 -3.540
49 HG1 DBU 8 HG1 DBU 8 -1.549 5.750 -4.497
50 HG2 DBU 8 HG2 DBU 8 -2.160 7.158 -5.362
51 HG3 DBU 8 HG3 DBU 8 -2.899 5.578 -5.619
52 HA DCY 9 HA DCY 9 -7.323 5.477 -0.496
53 HB2 DCY 9 HB2 DCY 9 -6.879 7.618 0.263
54 HB3 DCY 9 HB3 DCY 9 -5.199 7.224 0.701
55 H TS9 10 HN1 TS9 10 -5.937 3.086 0.508
56 HA TS9 10 HA TS9 10 -7.005 3.380 3.168
57 HG3 TS9 10 HG3 TS9 10 -4.923 1.352 1.439
58 HG21 TS9 10 HG21 TS9 10 -7.180 -0.308 3.531
59 HG22 TS9 10 HG22 TS9 10 -7.686 1.234 4.221
60 HG23 TS9 10 HG23 TS9 10 -5.996 0.742 4.302
61 HG1 TS9 10 HG1 TS9 10 -7.699 1.824 0.536
62 HD2 TS9 10 HD2 TS9 10 -9.694 2.255 1.662
63 HD11 TS9 10 HD11 TS9 10 -9.289 0.097 0.465
64 HD12 TS9 10 HD12 TS9 10 -9.042 -0.315 2.161
65 HD13 TS9 10 HD13 TS9 10 -7.793 -0.685 0.974
66 HB BB9 11 HB BB9 11 -2.633 3.852 5.893
67 H THR 12 H THR 12 -1.916 1.448 2.086
68 HA THR 12 HA THR 12 0.769 1.320 3.287
69 HB THR 12 HB THR 12 1.133 -0.661 1.744
70 HG21 THR 12 HG21 THR 12 -0.389 -2.138 3.223
71 HG22 THR 12 HG22 THR 12 -0.750 -0.630 4.064
72 HG23 THR 12 HG23 THR 12 0.914 -1.214 3.968
73 HB BB9 13 HB BB9 13 1.290 4.125 -1.374
74 HC BB9 13 HC BB9 13 3.539 2.839 -1.879
75 HB2 MH6 14 HB2 MH6 14 6.387 0.072 -0.583
76 HB3 MH6 14 HB3 MH6 14 7.082 1.356 -1.562
77 HB BB9 15 HB BB9 15 8.078 4.071 3.645
78 H DHA 16 H DHA 16 9.844 0.981 0.879
79 HB1 DHA 16 HB1 DHA 16 12.599 2.116 3.073
80 HB2 DHA 16 HB2 DHA 16 13.768 0.849 2.357
81 H DHA 17 HN DHA 17 13.944 -0.455 1.231
82 HB1 DHA 17 HB1 DHA 17 11.853 -2.282 -1.222
83 HB2 DHA 17 HB2 DHA 17 13.277 -3.398 -1.681
84 HN1 NH2 18 HT1 DHA 17 16.487 -3.605 -0.625
85 HN2 NH2 18 HT2 DHA 17 14.979 -3.812 -1.398
Start of MODEL 15
1 HC3 QUA 0 HC3 QUA 0 -0.440 -2.026 -2.430
2 HC8 QUA 0 HC8 QUA 0 -5.237 -2.253 0.738
3 H16 QUA 0 H16 QUA 0 -5.685 -0.397 -1.330
4 HC71 QUA 0 HC71 QUA 0 -7.295 -2.889 -0.696
5 H13 QUA 0 H13 QUA 0 -3.064 -2.654 -4.887
6 H15 QUA 0 H15 QUA 0 -0.368 -3.087 -4.837
7 HC5 QUA 0 HC5 QUA 0 -4.909 -3.045 -4.102
8 H141 QUA 0 H141 QUA 0 -1.346 -4.807 -3.658
9 H142 QUA 0 H142 QUA 0 -1.963 -4.799 -5.310
10 H143 QUA 0 H143 QUA 0 -3.081 -4.907 -3.950
11 HC6 QUA 0 HC6 QUA 0 -6.930 -3.568 -3.047
12 H ILE 1 H ILE 1 -5.022 -4.684 -0.468
13 HA ILE 1 HA ILE 1 -6.850 -3.756 1.373
14 HB ILE 1 HB ILE 1 -7.497 -6.037 2.263
15 HG12 ILE 1 HG12 ILE 1 -6.952 -6.897 -0.589
16 HG13 ILE 1 HG13 ILE 1 -5.900 -7.284 0.768
17 HG21 ILE 1 HG21 ILE 1 -9.057 -4.460 1.168
18 HG22 ILE 1 HG22 ILE 1 -9.499 -6.149 0.923
19 HG23 ILE 1 HG23 ILE 1 -8.723 -5.243 -0.376
20 HD11 ILE 1 HD11 ILE 1 -7.814 -8.456 1.834
21 HD12 ILE 1 HD12 ILE 1 -7.284 -9.170 0.310
22 HD13 ILE 1 HD13 ILE 1 -8.741 -8.179 0.359
23 H ALA 2 H ALA 2 -4.039 -5.223 0.315
24 HA ALA 2 HA ALA 2 -2.632 -4.749 2.716
25 HB1 ALA 2 HB1 ALA 2 -3.937 -6.765 3.375
26 HB2 ALA 2 HB2 ALA 2 -2.187 -6.978 3.469
27 HB3 ALA 2 HB3 ALA 2 -3.090 -7.666 2.118
28 H DHA 3 H DHA 3 -0.651 -4.325 2.108
29 HB1 DHA 3 HB1 DHA 3 -0.105 -5.735 -1.272
30 HB2 DHA 3 HB2 DHA 3 1.536 -4.859 -1.425
31 H ALA 4 H ALA 4 2.767 -3.895 -0.590
32 HA ALA 4 HA ALA 4 3.033 -1.792 1.440
33 HB1 ALA 4 HB1 ALA 4 5.280 -3.611 0.575
34 HB2 ALA 4 HB2 ALA 4 4.442 -3.683 2.125
35 HB3 ALA 4 HB3 ALA 4 5.401 -2.262 1.707
36 H SER 5 H SER 5 3.183 0.114 0.453
37 HB2 SER 5 HB2 SER 5 5.313 -0.267 -2.642
38 HB3 SER 5 HB3 SER 5 5.187 1.464 -2.941
39 HB BB9 6 HB BB9 6 1.077 -1.188 -5.308
40 H THR 7 H THR 7 -0.527 1.922 -2.406
41 HA THR 7 HA THR 7 -2.868 1.829 -4.178
42 HB THR 7 HB THR 7 -3.370 0.291 -2.354
43 HG1 THR 7 HG1 THR 7 -4.915 2.440 -1.548
44 HG21 THR 7 HG21 THR 7 -3.056 2.609 -0.451
45 HG22 THR 7 HG22 THR 7 -1.814 1.382 -0.700
46 HG23 THR 7 HG23 THR 7 -3.391 0.924 -0.057
47 H DBU 8 H1 DBU 8 -4.476 3.537 -3.484
48 HB DBU 8 HB1 DBU 8 -3.863 7.532 -3.664
49 HG1 DBU 8 HG1 DBU 8 -1.721 5.804 -4.682
50 HG2 DBU 8 HG2 DBU 8 -2.449 7.139 -5.575
51 HG3 DBU 8 HG3 DBU 8 -3.125 5.516 -5.711
52 HA DCY 9 HA DCY 9 -7.324 5.571 -0.433
53 HB2 DCY 9 HB2 DCY 9 -6.760 7.674 0.367
54 HB3 DCY 9 HB3 DCY 9 -5.077 7.202 0.708
55 H TS9 10 HN1 TS9 10 -5.933 3.117 0.472
56 HA TS9 10 HA TS9 10 -7.015 3.322 3.124
57 HG3 TS9 10 HG3 TS9 10 -5.363 -0.162 2.108
58 HG21 TS9 10 HG21 TS9 10 -6.171 0.838 4.317
59 HG22 TS9 10 HG22 TS9 10 -7.067 -0.375 3.407
60 HG23 TS9 10 HG23 TS9 10 -7.876 1.094 3.952
61 HG1 TS9 10 HG1 TS9 10 -7.428 1.693 0.327
62 HD2 TS9 10 HD2 TS9 10 -9.425 1.754 2.273
63 HD11 TS9 10 HD11 TS9 10 -9.104 -0.227 1.886
64 HD12 TS9 10 HD12 TS9 10 -7.654 -0.792 1.060
65 HD13 TS9 10 HD13 TS9 10 -8.953 -0.033 0.140
66 HB BB9 11 HB BB9 11 -2.688 3.874 5.909
67 H THR 12 H THR 12 -1.905 1.457 2.129
68 HA THR 12 HA THR 12 0.782 1.373 3.333
69 HB THR 12 HB THR 12 1.169 -0.626 1.820
70 HG21 THR 12 HG21 THR 12 -0.352 -2.108 3.292
71 HG22 THR 12 HG22 THR 12 -0.744 -0.599 4.118
72 HG23 THR 12 HG23 THR 12 0.928 -1.162 4.048
73 HB BB9 13 HB BB9 13 1.249 4.115 -1.371
74 HC BB9 13 HC BB9 13 3.506 2.839 -1.881
75 HB2 MH6 14 HB2 MH6 14 6.319 0.029 -0.575
76 HB3 MH6 14 HB3 MH6 14 7.048 1.287 -1.563
77 HB BB9 15 HB BB9 15 8.153 4.034 3.579
78 H DHA 16 H DHA 16 9.813 0.912 0.779
79 HB1 DHA 16 HB1 DHA 16 12.522 1.721 3.174
80 HB2 DHA 16 HB2 DHA 16 13.672 0.487 2.375
81 H DHA 17 HN DHA 17 13.844 -0.710 1.138
82 HB1 DHA 17 HB1 DHA 17 11.878 -2.043 -1.707
83 HB2 DHA 17 HB2 DHA 17 13.265 -3.194 -2.192
84 HN1 NH2 18 HT1 DHA 17 16.337 -3.792 -0.890
85 HN2 NH2 18 HT2 DHA 17 14.903 -3.781 -1.817
Start of MODEL 16
1 HC3 QUA 0 HC3 QUA 0 -0.542 -1.991 -2.470
2 HC8 QUA 0 HC8 QUA 0 -5.256 -2.332 0.807
3 H16 QUA 0 H16 QUA 0 -5.333 -0.156 -0.531
4 HC71 QUA 0 HC71 QUA 0 -7.351 -2.928 -0.597
5 H13 QUA 0 H13 QUA 0 -3.200 -2.544 -4.883
6 H15 QUA 0 H15 QUA 0 -0.978 -2.744 -5.642
7 HC5 QUA 0 HC5 QUA 0 -5.040 -3.004 -4.058
8 H141 QUA 0 H141 QUA 0 -1.515 -4.788 -3.779
9 H142 QUA 0 H142 QUA 0 -2.220 -4.710 -5.394
10 H143 QUA 0 H143 QUA 0 -3.266 -4.827 -3.979
11 HC6 QUA 0 HC6 QUA 0 -7.036 -3.563 -2.968
12 H ILE 1 H ILE 1 -5.093 -4.752 -0.484
13 HA ILE 1 HA ILE 1 -6.812 -3.819 1.461
14 HB ILE 1 HB ILE 1 -7.441 -6.087 2.368
15 HG12 ILE 1 HG12 ILE 1 -7.002 -6.965 -0.496
16 HG13 ILE 1 HG13 ILE 1 -5.914 -7.359 0.830
17 HG21 ILE 1 HG21 ILE 1 -8.764 -5.292 -0.221
18 HG22 ILE 1 HG22 ILE 1 -9.036 -4.510 1.336
19 HG23 ILE 1 HG23 ILE 1 -9.495 -6.197 1.105
20 HD11 ILE 1 HD11 ILE 1 -7.345 -9.226 0.394
21 HD12 ILE 1 HD12 ILE 1 -8.782 -8.214 0.535
22 HD13 ILE 1 HD13 ILE 1 -7.781 -8.527 1.953
23 H ALA 2 H ALA 2 -4.050 -5.206 0.248
24 HA ALA 2 HA ALA 2 -2.566 -4.908 2.638
25 HB1 ALA 2 HB1 ALA 2 -3.851 -6.967 3.169
26 HB2 ALA 2 HB2 ALA 2 -2.101 -7.193 3.186
27 HB3 ALA 2 HB3 ALA 2 -3.052 -7.763 1.813
28 H DHA 3 H DHA 3 -0.608 -4.442 2.024
29 HB1 DHA 3 HB1 DHA 3 0.047 -5.823 -1.356
30 HB2 DHA 3 HB2 DHA 3 1.670 -4.908 -1.463
31 H ALA 4 H ALA 4 2.848 -3.913 -0.600
32 HA ALA 4 HA ALA 4 3.030 -1.799 1.431
33 HB1 ALA 4 HB1 ALA 4 4.454 -3.707 2.110
34 HB2 ALA 4 HB2 ALA 4 5.376 -2.239 1.785
35 HB3 ALA 4 HB3 ALA 4 5.347 -3.542 0.597
36 H SER 5 H SER 5 3.212 0.121 0.458
37 HB2 SER 5 HB2 SER 5 5.361 -0.254 -2.619
38 HB3 SER 5 HB3 SER 5 5.219 1.473 -2.935
39 HB BB9 6 HB BB9 6 1.138 -1.200 -5.317
40 H THR 7 H THR 7 -0.521 1.851 -2.386
41 HA THR 7 HA THR 7 -2.811 1.821 -4.226
42 HB THR 7 HB THR 7 -3.366 0.258 -2.423
43 HG1 THR 7 HG1 THR 7 -4.812 2.678 -2.041
44 HG21 THR 7 HG21 THR 7 -3.485 0.886 -0.131
45 HG22 THR 7 HG22 THR 7 -3.159 2.576 -0.506
46 HG23 THR 7 HG23 THR 7 -1.888 1.369 -0.702
47 H DBU 8 H1 DBU 8 -4.419 3.544 -3.513
48 HB DBU 8 HB1 DBU 8 -3.732 7.537 -3.582
49 HG1 DBU 8 HG1 DBU 8 -2.975 5.605 -5.682
50 HG2 DBU 8 HG2 DBU 8 -1.605 5.757 -4.582
51 HG3 DBU 8 HG3 DBU 8 -2.220 7.179 -5.423
52 HA DCY 9 HA DCY 9 -7.290 5.464 -0.463
53 HB2 DCY 9 HB2 DCY 9 -6.857 7.616 0.270
54 HB3 DCY 9 HB3 DCY 9 -5.163 7.247 0.673
55 H TS9 10 HN1 TS9 10 -6.003 3.082 0.534
56 HA TS9 10 HA TS9 10 -6.986 3.409 3.206
57 HG3 TS9 10 HG3 TS9 10 -5.431 -0.125 2.138
58 HG21 TS9 10 HG21 TS9 10 -7.666 1.228 4.271
59 HG22 TS9 10 HG22 TS9 10 -5.949 0.838 4.383
60 HG23 TS9 10 HG23 TS9 10 -7.062 -0.293 3.617
61 HG1 TS9 10 HG1 TS9 10 -7.694 1.801 0.604
62 HD2 TS9 10 HD2 TS9 10 -9.722 2.099 1.851
63 HD11 TS9 10 HD11 TS9 10 -9.215 0.038 0.542
64 HD12 TS9 10 HD12 TS9 10 -9.046 -0.295 2.265
65 HD13 TS9 10 HD13 TS9 10 -7.742 -0.714 1.154
66 HB BB9 11 HB BB9 11 -2.579 3.975 5.858
67 H THR 12 H THR 12 -1.915 1.454 2.124
68 HA THR 12 HA THR 12 0.781 1.358 3.296
69 HB THR 12 HB THR 12 1.144 -0.638 1.777
70 HG21 THR 12 HG21 THR 12 -0.389 -2.098 3.278
71 HG22 THR 12 HG22 THR 12 -0.719 -0.576 4.111
72 HG23 THR 12 HG23 THR 12 0.935 -1.183 3.998
73 HB BB9 13 HB BB9 13 1.265 4.108 -1.401
74 HC BB9 13 HC BB9 13 3.537 2.843 -1.878
75 HB2 MH6 14 HB2 MH6 14 6.375 0.066 -0.565
76 HB3 MH6 14 HB3 MH6 14 7.070 1.347 -1.547
77 HB BB9 15 HB BB9 15 8.068 4.013 3.688
78 H DHA 16 H DHA 16 9.871 1.105 0.759
79 HB1 DHA 16 HB1 DHA 16 12.407 1.575 3.411
80 HB2 DHA 16 HB2 DHA 16 13.664 0.573 2.462
81 H DHA 17 HN DHA 17 13.971 -0.337 1.007
82 HB1 DHA 17 HB1 DHA 17 12.233 -1.084 -2.178
83 HB2 DHA 17 HB2 DHA 17 13.697 -2.054 -2.810
84 HN1 NH2 18 HT1 DHA 17 16.719 -2.806 -1.488
85 HN2 NH2 18 HT2 DHA 17 15.336 -2.640 -2.473
Start of MODEL 17
1 HC3 QUA 0 HC3 QUA 0 -0.543 -2.001 -2.471
2 HC8 QUA 0 HC8 QUA 0 -5.272 -2.288 0.792
3 H16 QUA 0 H16 QUA 0 -6.709 -0.840 -1.058
4 HC71 QUA 0 HC71 QUA 0 -7.350 -2.934 -0.598
5 H13 QUA 0 H13 QUA 0 -3.200 -2.543 -4.894
6 H15 QUA 0 H15 QUA 0 -0.730 -3.018 -5.338
7 HC5 QUA 0 HC5 QUA 0 -5.052 -2.962 -4.072
8 H141 QUA 0 H141 QUA 0 -2.156 -4.711 -5.384
9 H142 QUA 0 H142 QUA 0 -3.293 -4.820 -4.040
10 H143 QUA 0 H143 QUA 0 -1.558 -4.789 -3.726
11 HC6 QUA 0 HC6 QUA 0 -7.047 -3.523 -2.980
12 H ILE 1 H ILE 1 -5.035 -4.687 -0.476
13 HA ILE 1 HA ILE 1 -6.899 -3.887 1.410
14 HB ILE 1 HB ILE 1 -7.311 -6.280 2.237
15 HG12 ILE 1 HG12 ILE 1 -6.933 -6.894 -0.702
16 HG13 ILE 1 HG13 ILE 1 -5.747 -7.290 0.537
17 HG21 ILE 1 HG21 ILE 1 -9.042 -4.737 1.382
18 HG22 ILE 1 HG22 ILE 1 -9.395 -6.428 1.028
19 HG23 ILE 1 HG23 ILE 1 -8.770 -5.373 -0.241
20 HD11 ILE 1 HD11 ILE 1 -7.041 -9.236 0.022
21 HD12 ILE 1 HD12 ILE 1 -8.547 -8.363 0.310
22 HD13 ILE 1 HD13 ILE 1 -7.448 -8.694 1.650
23 H ALA 2 H ALA 2 -4.037 -5.317 0.301
24 HA ALA 2 HA ALA 2 -2.604 -4.742 2.675
25 HB1 ALA 2 HB1 ALA 2 -2.970 -7.681 2.137
26 HB2 ALA 2 HB2 ALA 2 -3.875 -6.787 3.358
27 HB3 ALA 2 HB3 ALA 2 -2.120 -6.929 3.487
28 H DHA 3 H DHA 3 -0.605 -4.368 2.104
29 HB1 DHA 3 HB1 DHA 3 -0.001 -5.817 -1.254
30 HB2 DHA 3 HB2 DHA 3 1.632 -4.923 -1.395
31 H ALA 4 H ALA 4 2.824 -3.907 -0.571
32 HA ALA 4 HA ALA 4 3.064 -1.802 1.462
33 HB1 ALA 4 HB1 ALA 4 4.473 -3.684 2.159
34 HB2 ALA 4 HB2 ALA 4 5.438 -2.270 1.733
35 HB3 ALA 4 HB3 ALA 4 5.313 -3.624 0.610
36 H SER 5 H SER 5 3.208 0.107 0.473
37 HB2 SER 5 HB2 SER 5 5.348 -0.262 -2.617
38 HB3 SER 5 HB3 SER 5 5.202 1.465 -2.929
39 HB BB9 6 HB BB9 6 1.112 -1.242 -5.271
40 H THR 7 H THR 7 -0.503 1.907 -2.417
41 HA THR 7 HA THR 7 -2.799 1.852 -4.246
42 HB THR 7 HB THR 7 -3.354 0.292 -2.448
43 HG1 THR 7 HG1 THR 7 -4.880 2.560 -1.812
44 HG21 THR 7 HG21 THR 7 -3.129 2.605 -0.524
45 HG22 THR 7 HG22 THR 7 -1.872 1.385 -0.726
46 HG23 THR 7 HG23 THR 7 -3.471 0.915 -0.152
47 H DBU 8 H1 DBU 8 -4.427 3.561 -3.506
48 HB DBU 8 HB1 DBU 8 -3.787 7.557 -3.638
49 HG1 DBU 8 HG1 DBU 8 -3.065 5.579 -5.720
50 HG2 DBU 8 HG2 DBU 8 -1.660 5.818 -4.681
51 HG3 DBU 8 HG3 DBU 8 -2.362 7.186 -5.543
52 HA DCY 9 HA DCY 9 -7.255 5.561 -0.430
53 HB2 DCY 9 HB2 DCY 9 -6.709 7.670 0.369
54 HB3 DCY 9 HB3 DCY 9 -5.021 7.214 0.705
55 H TS9 10 HN1 TS9 10 -6.003 3.098 0.481
56 HA TS9 10 HA TS9 10 -7.023 3.364 3.143
57 HG3 TS9 10 HG3 TS9 10 -5.022 0.275 2.415
58 HG21 TS9 10 HG21 TS9 10 -7.138 -0.333 3.476
59 HG22 TS9 10 HG22 TS9 10 -7.885 1.161 4.038
60 HG23 TS9 10 HG23 TS9 10 -6.177 0.857 4.348
61 HG1 TS9 10 HG1 TS9 10 -7.547 1.741 0.401
62 HD2 TS9 10 HD2 TS9 10 -9.493 2.477 1.262
63 HD11 TS9 10 HD11 TS9 10 -9.102 0.034 0.254
64 HD12 TS9 10 HD12 TS9 10 -9.181 -0.184 2.001
65 HD13 TS9 10 HD13 TS9 10 -7.772 -0.750 1.107
66 HB BB9 11 HB BB9 11 -2.676 3.838 5.907
67 H THR 12 H THR 12 -1.923 1.447 2.099
68 HA THR 12 HA THR 12 0.756 1.333 3.315
69 HB THR 12 HB THR 12 1.137 -0.655 1.782
70 HG21 THR 12 HG21 THR 12 -0.744 -0.621 4.104
71 HG22 THR 12 HG22 THR 12 0.920 -1.205 4.007
72 HG23 THR 12 HG23 THR 12 -0.386 -2.133 3.269
73 HB BB9 13 HB BB9 13 1.274 4.117 -1.358
74 HC BB9 13 HC BB9 13 3.520 2.828 -1.868
75 HB2 MH6 14 HB2 MH6 14 6.367 0.060 -0.562
76 HB3 MH6 14 HB3 MH6 14 7.066 1.330 -1.556
77 HB BB9 15 HB BB9 15 8.129 4.056 3.621
78 H DHA 16 H DHA 16 9.863 1.044 0.756
79 HB1 DHA 16 HB1 DHA 16 12.638 2.076 2.980
80 HB2 DHA 16 HB2 DHA 16 13.822 0.907 2.134
81 H DHA 17 HN DHA 17 14.020 -0.246 0.850
82 HB1 DHA 17 HB1 DHA 17 11.843 -2.168 -1.443
83 HB2 DHA 17 HB2 DHA 17 13.308 -3.077 -2.162
84 HN1 NH2 18 HT1 DHA 17 16.641 -2.896 -1.602
85 HN2 NH2 18 HT2 DHA 17 15.070 -3.274 -2.153
Start of MODEL 18
1 HC3 QUA 0 HC3 QUA 0 -0.477 -2.011 -2.453
2 HC8 QUA 0 HC8 QUA 0 -5.229 -2.398 0.769
3 H16 QUA 0 H16 QUA 0 -5.984 -0.638 -1.332
4 HC71 QUA 0 HC71 QUA 0 -7.289 -3.052 -0.652
5 H13 QUA 0 H13 QUA 0 -3.110 -2.614 -4.894
6 H15 QUA 0 H15 QUA 0 -0.783 -2.871 -5.544
7 HC5 QUA 0 HC5 QUA 0 -4.946 -3.070 -4.092
8 H141 QUA 0 H141 QUA 0 -1.381 -4.803 -3.745
9 H142 QUA 0 H142 QUA 0 -2.035 -4.751 -5.382
10 H143 QUA 0 H143 QUA 0 -3.123 -4.893 -4.001
11 HC6 QUA 0 HC6 QUA 0 -6.943 -3.662 -3.024
12 H ILE 1 H ILE 1 -4.977 -4.804 -0.496
13 HA ILE 1 HA ILE 1 -6.832 -3.966 1.378
14 HB ILE 1 HB ILE 1 -7.363 -6.259 2.261
15 HG12 ILE 1 HG12 ILE 1 -6.731 -7.145 -0.562
16 HG13 ILE 1 HG13 ILE 1 -5.652 -7.416 0.801
17 HG21 ILE 1 HG21 ILE 1 -9.324 -6.527 0.876
18 HG22 ILE 1 HG22 ILE 1 -8.578 -5.583 -0.414
19 HG23 ILE 1 HG23 ILE 1 -9.000 -4.810 1.114
20 HD11 ILE 1 HD11 ILE 1 -7.452 -8.706 1.904
21 HD12 ILE 1 HD12 ILE 1 -6.904 -9.407 0.381
22 HD13 ILE 1 HD13 ILE 1 -8.426 -8.521 0.445
23 H ALA 2 H ALA 2 -3.971 -5.375 0.292
24 HA ALA 2 HA ALA 2 -2.556 -4.836 2.681
25 HB1 ALA 2 HB1 ALA 2 -3.790 -6.849 3.398
26 HB2 ALA 2 HB2 ALA 2 -2.039 -7.078 3.407
27 HB3 ALA 2 HB3 ALA 2 -3.013 -7.758 2.103
28 H DHA 3 H DHA 3 -0.604 -4.372 2.066
29 HB1 DHA 3 HB1 DHA 3 0.000 -5.799 -1.297
30 HB2 DHA 3 HB2 DHA 3 1.625 -4.893 -1.440
31 H ALA 4 H ALA 4 2.825 -3.893 -0.598
32 HA ALA 4 HA ALA 4 3.033 -1.781 1.428
33 HB1 ALA 4 HB1 ALA 4 5.324 -3.564 0.604
34 HB2 ALA 4 HB2 ALA 4 4.462 -3.651 2.141
35 HB3 ALA 4 HB3 ALA 4 5.401 -2.214 1.737
36 H SER 5 H SER 5 3.157 0.118 0.429
37 HB2 SER 5 HB2 SER 5 5.302 -0.256 -2.665
38 HB3 SER 5 HB3 SER 5 5.160 1.473 -2.971
39 HB BB9 6 HB BB9 6 1.045 -1.192 -5.317
40 H THR 7 H THR 7 -0.549 1.805 -2.307
41 HA THR 7 HA THR 7 -2.882 1.843 -4.095
42 HB THR 7 HB THR 7 -3.429 0.284 -2.301
43 HG1 THR 7 HG1 THR 7 -4.960 2.007 -3.100
44 HG21 THR 7 HG21 THR 7 -2.997 2.562 -0.367
45 HG22 THR 7 HG22 THR 7 -1.851 1.247 -0.615
46 HG23 THR 7 HG23 THR 7 -3.460 0.905 0.018
47 H DBU 8 H1 DBU 8 -4.391 3.632 -3.457
48 HB DBU 8 HB1 DBU 8 -3.518 7.589 -3.497
49 HG1 DBU 8 HG1 DBU 8 -1.427 5.739 -4.411
50 HG2 DBU 8 HG2 DBU 8 -1.984 7.155 -5.302
51 HG3 DBU 8 HG3 DBU 8 -2.765 5.594 -5.551
52 HA DCY 9 HA DCY 9 -7.304 5.738 -0.551
53 HB2 DCY 9 HB2 DCY 9 -6.724 7.819 0.286
54 HB3 DCY 9 HB3 DCY 9 -5.088 7.289 0.746
55 H TS9 10 HN1 TS9 10 -5.815 3.279 0.447
56 HA TS9 10 HA TS9 10 -7.020 3.478 3.073
57 HG3 TS9 10 HG3 TS9 10 -5.370 0.055 1.958
58 HG21 TS9 10 HG21 TS9 10 -7.710 1.259 4.045
59 HG22 TS9 10 HG22 TS9 10 -6.006 0.815 4.130
60 HG23 TS9 10 HG23 TS9 10 -7.151 -0.240 3.305
61 HG1 TS9 10 HG1 TS9 10 -7.712 2.013 0.401
62 HD2 TS9 10 HD2 TS9 10 -9.250 1.883 2.785
63 HD11 TS9 10 HD11 TS9 10 -9.174 -0.103 1.923
64 HD12 TS9 10 HD12 TS9 10 -7.815 -0.538 0.891
65 HD13 TS9 10 HD13 TS9 10 -9.220 0.272 0.201
66 HB BB9 11 HB BB9 11 -2.696 3.881 5.880
67 H THR 12 H THR 12 -1.940 1.456 2.094
68 HA THR 12 HA THR 12 0.744 1.377 3.302
69 HB THR 12 HB THR 12 1.144 -0.626 1.800
70 HG21 THR 12 HG21 THR 12 -0.357 -2.110 3.285
71 HG22 THR 12 HG22 THR 12 -0.766 -0.599 4.101
72 HG23 THR 12 HG23 THR 12 0.913 -1.144 4.035
73 HB BB9 13 HB BB9 13 1.225 4.115 -1.403
74 HC BB9 13 HC BB9 13 3.482 2.837 -1.909
75 HB2 MH6 14 HB2 MH6 14 6.322 0.056 -0.608
76 HB3 MH6 14 HB3 MH6 14 7.025 1.327 -1.598
77 HB BB9 15 HB BB9 15 8.093 4.061 3.571
78 H DHA 16 H DHA 16 9.783 0.973 0.765
79 HB1 DHA 16 HB1 DHA 16 12.433 1.653 3.261
80 HB2 DHA 16 HB2 DHA 16 13.613 0.487 2.403
81 H DHA 17 HN DHA 17 13.852 -0.549 1.032
82 HB1 DHA 17 HB1 DHA 17 11.776 -2.084 -1.620
83 HB2 DHA 17 HB2 DHA 17 13.236 -3.041 -2.284
84 HN1 NH2 18 HT1 DHA 17 16.502 -3.183 -1.397
85 HN2 NH2 18 HT2 DHA 17 14.972 -3.386 -2.127
Start of MODEL 19
1 HC3 QUA 0 HC3 QUA 0 -0.579 -1.991 -2.492
2 HC8 QUA 0 HC8 QUA 0 -5.272 -2.369 0.819
3 H16 QUA 0 H16 QUA 0 -6.667 -0.887 -1.073
4 HC71 QUA 0 HC71 QUA 0 -7.358 -3.019 -0.562
5 H13 QUA 0 H13 QUA 0 -3.256 -2.549 -4.888
6 H15 QUA 0 H15 QUA 0 -1.242 -2.371 -5.765
7 HC5 QUA 0 HC5 QUA 0 -5.087 -3.000 -4.052
8 H141 QUA 0 H141 QUA 0 -3.330 -4.830 -4.087
9 H142 QUA 0 H142 QUA 0 -1.604 -4.790 -3.727
10 H143 QUA 0 H143 QUA 0 -2.159 -4.701 -5.399
11 HC6 QUA 0 HC6 QUA 0 -7.065 -3.594 -2.949
12 H ILE 1 H ILE 1 -5.040 -4.770 -0.485
13 HA ILE 1 HA ILE 1 -6.851 -3.962 1.448
14 HB ILE 1 HB ILE 1 -7.354 -6.258 2.319
15 HG12 ILE 1 HG12 ILE 1 -6.648 -7.118 -0.498
16 HG13 ILE 1 HG13 ILE 1 -5.658 -7.443 0.920
17 HG21 ILE 1 HG21 ILE 1 -9.015 -4.832 1.165
18 HG22 ILE 1 HG22 ILE 1 -9.322 -6.556 0.963
19 HG23 ILE 1 HG23 ILE 1 -8.600 -5.630 -0.352
20 HD11 ILE 1 HD11 ILE 1 -6.904 -9.403 0.402
21 HD12 ILE 1 HD12 ILE 1 -8.414 -8.495 0.344
22 HD13 ILE 1 HD13 ILE 1 -7.573 -8.707 1.879
23 H ALA 2 H ALA 2 -4.004 -5.339 0.268
24 HA ALA 2 HA ALA 2 -2.536 -4.813 2.632
25 HB1 ALA 2 HB1 ALA 2 -2.963 -7.730 2.016
26 HB2 ALA 2 HB2 ALA 2 -3.742 -6.854 3.333
27 HB3 ALA 2 HB3 ALA 2 -1.988 -7.052 3.322
28 H DHA 3 H DHA 3 -0.557 -4.400 2.043
29 HB1 DHA 3 HB1 DHA 3 0.067 -5.824 -1.319
30 HB2 DHA 3 HB2 DHA 3 1.693 -4.920 -1.450
31 H ALA 4 H ALA 4 2.896 -3.921 -0.591
32 HA ALA 4 HA ALA 4 3.076 -1.794 1.429
33 HB1 ALA 4 HB1 ALA 4 5.455 -2.209 1.715
34 HB2 ALA 4 HB2 ALA 4 5.367 -3.570 0.593
35 HB3 ALA 4 HB3 ALA 4 4.519 -3.645 2.140
36 H SER 5 H SER 5 3.209 0.118 0.448
37 HB2 SER 5 HB2 SER 5 5.348 -0.231 -2.644
38 HB3 SER 5 HB3 SER 5 5.195 1.497 -2.944
39 HB BB9 6 HB BB9 6 1.112 -1.214 -5.308
40 H THR 7 H THR 7 -0.535 1.803 -2.342
41 HA THR 7 HA THR 7 -2.829 1.825 -4.177
42 HB THR 7 HB THR 7 -3.402 0.256 -2.391
43 HG1 THR 7 HG1 THR 7 -5.367 1.104 -2.151
44 HG21 THR 7 HG21 THR 7 -1.883 1.289 -0.669
45 HG22 THR 7 HG22 THR 7 -3.490 0.864 -0.084
46 HG23 THR 7 HG23 THR 7 -3.102 2.545 -0.448
47 H DBU 8 H1 DBU 8 -4.375 3.592 -3.533
48 HB DBU 8 HB1 DBU 8 -3.572 7.557 -3.567
49 HG1 DBU 8 HG1 DBU 8 -2.854 5.606 -5.661
50 HG2 DBU 8 HG2 DBU 8 -1.495 5.701 -4.540
51 HG3 DBU 8 HG3 DBU 8 -2.044 7.149 -5.383
52 HA DCY 9 HA DCY 9 -7.243 5.615 -0.506
53 HB2 DCY 9 HB2 DCY 9 -6.720 7.735 0.266
54 HB3 DCY 9 HB3 DCY 9 -5.052 7.279 0.687
55 H TS9 10 HN1 TS9 10 -5.935 3.176 0.477
56 HA TS9 10 HA TS9 10 -6.995 3.474 3.132
57 HG3 TS9 10 HG3 TS9 10 -5.067 0.326 2.356
58 HG21 TS9 10 HG21 TS9 10 -7.802 1.312 4.111
59 HG22 TS9 10 HG22 TS9 10 -6.100 0.894 4.309
60 HG23 TS9 10 HG23 TS9 10 -7.189 -0.217 3.485
61 HG1 TS9 10 HG1 TS9 10 -7.621 1.869 0.437
62 HD2 TS9 10 HD2 TS9 10 -9.058 2.108 2.885
63 HD11 TS9 10 HD11 TS9 10 -7.843 -0.619 1.067
64 HD12 TS9 10 HD12 TS9 10 -9.233 0.195 0.349
65 HD13 TS9 10 HD13 TS9 10 -9.176 -0.086 2.090
66 HB BB9 11 HB BB9 11 -2.639 3.877 5.890
67 H THR 12 H THR 12 -1.933 1.442 2.103
68 HA THR 12 HA THR 12 0.757 1.330 3.294
69 HB THR 12 HB THR 12 1.125 -0.653 1.751
70 HG21 THR 12 HG21 THR 12 -0.717 -0.612 4.098
71 HG22 THR 12 HG22 THR 12 0.931 -1.229 3.963
72 HG23 THR 12 HG23 THR 12 -0.408 -2.125 3.245
73 HB BB9 13 HB BB9 13 1.253 4.120 -1.378
74 HC BB9 13 HC BB9 13 3.511 2.846 -1.882
75 HB2 MH6 14 HB2 MH6 14 6.364 0.080 -0.585
76 HB3 MH6 14 HB3 MH6 14 7.054 1.367 -1.565
77 HB BB9 15 HB BB9 15 8.043 4.033 3.674
78 H DHA 16 H DHA 16 9.868 1.114 0.760
79 HB1 DHA 16 HB1 DHA 16 12.419 1.719 3.374
80 HB2 DHA 16 HB2 DHA 16 13.685 0.705 2.450
81 H DHA 17 HN DHA 17 14.024 -0.183 1.000
82 HB1 DHA 17 HB1 DHA 17 12.144 -1.490 -1.906
83 HB2 DHA 17 HB2 DHA 17 13.668 -2.329 -2.583
84 HN1 NH2 18 HT1 DHA 17 16.881 -2.486 -1.525
85 HN2 NH2 18 HT2 DHA 17 15.401 -2.644 -2.362
Start of MODEL 20
1 HC3 QUA 0 HC3 QUA 0 -0.563 -1.943 -2.470
2 HC8 QUA 0 HC8 QUA 0 -5.220 -2.457 0.871
3 H16 QUA 0 H16 QUA 0 -5.976 -0.623 -1.156
4 HC71 QUA 0 HC71 QUA 0 -7.309 -3.110 -0.506
5 H13 QUA 0 H13 QUA 0 -3.244 -2.524 -4.852
6 H15 QUA 0 H15 QUA 0 -0.952 -2.759 -5.578
7 HC5 QUA 0 HC5 QUA 0 -5.061 -3.031 -4.007
8 H141 QUA 0 H141 QUA 0 -3.265 -4.818 -4.040
9 H142 QUA 0 H142 QUA 0 -1.526 -4.748 -3.752
10 H143 QUA 0 H143 QUA 0 -2.152 -4.657 -5.398
11 HC6 QUA 0 HC6 QUA 0 -7.021 -3.671 -2.897
12 H ILE 1 H ILE 1 -4.969 -4.826 -0.427
13 HA ILE 1 HA ILE 1 -6.782 -4.046 1.495
14 HB ILE 1 HB ILE 1 -7.346 -6.360 2.312
15 HG12 ILE 1 HG12 ILE 1 -6.685 -7.126 -0.544
16 HG13 ILE 1 HG13 ILE 1 -5.713 -7.556 0.858
17 HG21 ILE 1 HG21 ILE 1 -8.602 -5.612 -0.324
18 HG22 ILE 1 HG22 ILE 1 -8.952 -4.815 1.209
19 HG23 ILE 1 HG23 ILE 1 -9.344 -6.520 0.994
20 HD11 ILE 1 HD11 ILE 1 -7.020 -9.444 0.291
21 HD12 ILE 1 HD12 ILE 1 -8.493 -8.480 0.195
22 HD13 ILE 1 HD13 ILE 1 -7.721 -8.756 1.756
23 H ALA 2 H ALA 2 -3.941 -5.333 0.311
24 HA ALA 2 HA ALA 2 -2.487 -4.964 2.698
25 HB1 ALA 2 HB1 ALA 2 -2.945 -7.848 1.957
26 HB2 ALA 2 HB2 ALA 2 -3.711 -7.024 3.313
27 HB3 ALA 2 HB3 ALA 2 -1.959 -7.240 3.289
28 H DHA 3 H DHA 3 -0.563 -4.426 2.035
29 HB1 DHA 3 HB1 DHA 3 0.005 -5.763 -1.373
30 HB2 DHA 3 HB2 DHA 3 1.619 -4.838 -1.517
31 H ALA 4 H ALA 4 2.815 -3.850 -0.682
32 HA ALA 4 HA ALA 4 3.087 -1.806 1.405
33 HB1 ALA 4 HB1 ALA 4 4.501 -3.707 2.047
34 HB2 ALA 4 HB2 ALA 4 5.463 -2.284 1.644
35 HB3 ALA 4 HB3 ALA 4 5.327 -3.612 0.491
36 H SER 5 H SER 5 3.206 0.119 0.442
37 HB2 SER 5 HB2 SER 5 5.343 -0.188 -2.660
38 HB3 SER 5 HB3 SER 5 5.198 1.547 -2.927
39 HB BB9 6 HB BB9 6 1.124 -1.129 -5.335
40 H THR 7 H THR 7 -0.532 1.892 -2.375
41 HA THR 7 HA THR 7 -2.848 1.815 -4.182
42 HB THR 7 HB THR 7 -3.385 0.297 -2.362
43 HG1 THR 7 HG1 THR 7 -5.287 1.384 -1.650
44 HG21 THR 7 HG21 THR 7 -3.002 2.612 -0.463
45 HG22 THR 7 HG22 THR 7 -1.811 1.333 -0.702
46 HG23 THR 7 HG23 THR 7 -3.406 0.943 -0.058
47 H DBU 8 H1 DBU 8 -4.446 3.544 -3.536
48 HB DBU 8 HB1 DBU 8 -3.791 7.529 -3.768
49 HG1 DBU 8 HG1 DBU 8 -2.354 7.090 -5.650
50 HG2 DBU 8 HG2 DBU 8 -3.065 5.483 -5.781
51 HG3 DBU 8 HG3 DBU 8 -1.667 5.745 -4.739
52 HA DCY 9 HA DCY 9 -7.291 5.651 -0.528
53 HB2 DCY 9 HB2 DCY 9 -6.734 7.773 0.222
54 HB3 DCY 9 HB3 DCY 9 -5.052 7.315 0.581
55 H TS9 10 HN1 TS9 10 -5.860 3.227 0.470
56 HA TS9 10 HA TS9 10 -6.990 3.556 3.107
57 HG3 TS9 10 HG3 TS9 10 -4.915 0.742 2.209
58 HG21 TS9 10 HG21 TS9 10 -7.749 1.424 4.160
59 HG22 TS9 10 HG22 TS9 10 -6.075 0.877 4.240
60 HG23 TS9 10 HG23 TS9 10 -7.293 -0.129 3.461
61 HG1 TS9 10 HG1 TS9 10 -7.738 2.032 0.477
62 HD2 TS9 10 HD2 TS9 10 -9.673 2.626 1.565
63 HD11 TS9 10 HD11 TS9 10 -9.426 0.386 0.435
64 HD12 TS9 10 HD12 TS9 10 -9.154 -0.049 2.121
65 HD13 TS9 10 HD13 TS9 10 -7.953 -0.461 0.900
66 HB BB9 11 HB BB9 11 -2.669 3.837 5.927
67 H THR 12 H THR 12 -1.926 1.462 2.108
68 HA THR 12 HA THR 12 0.757 1.355 3.320
69 HB THR 12 HB THR 12 1.146 -0.628 1.776
70 HG21 THR 12 HG21 THR 12 -0.343 -2.125 3.268
71 HG22 THR 12 HG22 THR 12 -0.713 -0.621 4.116
72 HG23 THR 12 HG23 THR 12 0.956 -1.187 3.999
73 HB BB9 13 HB BB9 13 1.252 4.132 -1.358
74 HC BB9 13 HC BB9 13 3.529 2.884 -1.840
75 HB2 MH6 14 HB2 MH6 14 6.363 0.077 -0.600
76 HB3 MH6 14 HB3 MH6 14 7.057 1.380 -1.553
77 HB BB9 15 HB BB9 15 8.101 3.889 3.745
78 H DHA 16 H DHA 16 9.824 0.995 0.755
79 HB1 DHA 16 HB1 DHA 16 12.552 1.724 3.154
80 HB2 DHA 16 HB2 DHA 16 13.741 0.634 2.213
81 H DHA 17 HN DHA 17 13.940 -0.424 0.847
82 HB1 DHA 17 HB1 DHA 17 11.947 -1.545 -2.068
83 HB2 DHA 17 HB2 DHA 17 13.369 -2.569 -2.713
84 HN1 NH2 18 HT1 DHA 17 16.507 -3.146 -1.572
85 HN2 NH2 18 HT2 DHA 17 15.044 -3.106 -2.451