Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
537104 | 2lhv RC | 17868 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 H1 ACE 1 -35.851 41.213 149.029
2 H2 ACE 1 H2 ACE 1 -35.735 42.547 147.882
3 H3 ACE 1 H3 ACE 1 -36.060 42.873 149.584
4 HA PRO 2 HA PRO 2 -31.413 43.142 148.232
5 HB2 PRO 2 HB2 PRO 2 -31.408 45.637 149.671
6 HB3 PRO 2 HB3 PRO 2 -31.144 45.370 147.941
7 HG2 PRO 2 HG2 PRO 2 -33.543 46.272 149.339
8 HG3 PRO 2 HG3 PRO 2 -33.111 46.413 147.629
9 HD2 PRO 2 HD2 PRO 2 -35.071 44.732 148.543
10 HD3 PRO 2 HD3 PRO 2 -34.126 44.415 147.070
11 H THR 3 H THR 3 -32.853 44.484 151.221
12 HA THR 3 HA THR 3 -30.814 43.954 152.993
13 HB THR 3 HB THR 3 -33.645 43.440 153.836
14 HG1 THR 3 HG1 THR 3 -34.213 45.273 153.031
15 HG21 THR 3 HG21 THR 3 -32.942 44.570 155.828
16 HG22 THR 3 HG22 THR 3 -31.478 45.168 155.046
17 HG23 THR 3 HG23 THR 3 -31.647 43.450 155.405
18 H THR 4 H THR 4 -29.720 42.042 152.730
19 HA THR 4 HA THR 4 -31.183 39.516 152.741
20 HB THR 4 HB THR 4 -29.357 39.562 151.216
21 HG1 THR 4 HG1 THR 4 -28.094 37.914 152.039
22 HG21 THR 4 HG21 THR 4 -26.994 39.969 152.385
23 HG22 THR 4 HG22 THR 4 -27.982 40.933 153.483
24 HG23 THR 4 HG23 THR 4 -27.955 41.310 151.761
25 H THR 5 H THR 5 -30.330 37.753 154.192
26 HA THR 5 HA THR 5 -29.168 38.583 156.713
27 HB THR 5 HB THR 5 -31.533 39.202 157.034
28 HG1 THR 5 HG1 THR 5 -30.539 36.938 158.400
29 HG21 THR 5 HG21 THR 5 -32.025 36.945 155.483
30 HG22 THR 5 HG22 THR 5 -33.237 37.903 156.332
31 HG23 THR 5 HG23 THR 5 -32.551 36.470 157.097
32 HA PRO 6 HA PRO 6 -28.438 34.189 155.454
33 HB2 PRO 6 HB2 PRO 6 -25.608 34.684 155.689
34 HB3 PRO 6 HB3 PRO 6 -26.539 34.322 154.228
35 HG2 PRO 6 HG2 PRO 6 -25.328 36.737 154.803
36 HG3 PRO 6 HG3 PRO 6 -26.613 36.484 153.614
37 HD2 PRO 6 HD2 PRO 6 -26.786 37.648 156.354
38 HD3 PRO 6 HD3 PRO 6 -27.773 37.990 154.915
39 H LEU 7 H LEU 7 -26.350 32.848 156.601
40 HA LEU 7 HA LEU 7 -27.194 32.387 159.226
41 HB2 LEU 7 HB2 LEU 7 -24.460 31.816 158.056
42 HB3 LEU 7 HB3 LEU 7 -25.179 31.037 159.466
43 HG LEU 7 HG LEU 7 -26.338 30.956 156.665
44 HD11 LEU 7 HD11 LEU 7 -24.600 29.479 156.412
45 HD12 LEU 7 HD12 LEU 7 -25.712 28.396 157.250
46 HD13 LEU 7 HD13 LEU 7 -24.435 29.216 158.148
47 HD21 LEU 7 HD21 LEU 7 -27.203 29.956 159.353
48 HD22 LEU 7 HD22 LEU 7 -27.567 28.970 157.937
49 HD23 LEU 7 HD23 LEU 7 -28.177 30.622 158.042
50 H LYS 8 H LYS 8 -25.340 32.412 161.046
51 HA LYS 8 HA LYS 8 -24.240 33.712 162.587
52 HB2 LYS 8 HB2 LYS 8 -23.404 35.479 160.290
53 HB3 LYS 8 HB3 LYS 8 -22.540 35.157 161.794
54 HG2 LYS 8 HG2 LYS 8 -22.457 32.708 161.051
55 HG3 LYS 8 HG3 LYS 8 -22.975 33.280 159.465
56 HD2 LYS 8 HD2 LYS 8 -21.026 34.750 159.321
57 HD3 LYS 8 HD3 LYS 8 -20.523 34.278 160.945
58 HE2 LYS 8 HE2 LYS 8 -20.985 32.069 159.009
59 HE3 LYS 8 HE3 LYS 8 -19.567 33.078 158.727
60 HZ1 LYS 8 HZ1 LYS 8 -20.083 31.178 160.830
61 HZ2 LYS 8 HZ2 LYS 8 -19.473 32.663 161.388
62 HZ3 LYS 8 HZ3 LYS 8 -18.606 31.764 160.235
63 HN1 NH2 9 HN1 NH2 9 -27.220 36.080 161.756
64 HN2 NH2 9 HN2 NH2 9 -27.070 34.446 162.191
Start of MODEL 2
1 H1 ACE 1 H1 ACE 1 -32.409 43.276 145.040
2 H2 ACE 1 H2 ACE 1 -33.597 42.100 145.604
3 H3 ACE 1 H3 ACE 1 -31.894 41.654 145.500
4 HA PRO 2 HA PRO 2 -31.831 45.111 148.971
5 HB2 PRO 2 HB2 PRO 2 -34.590 45.515 149.692
6 HB3 PRO 2 HB3 PRO 2 -33.438 46.703 149.066
7 HG2 PRO 2 HG2 PRO 2 -35.555 45.252 147.676
8 HG3 PRO 2 HG3 PRO 2 -34.697 46.726 147.204
9 HD2 PRO 2 HD2 PRO 2 -34.336 44.314 145.953
10 HD3 PRO 2 HD3 PRO 2 -33.076 45.567 146.037
11 H THR 3 H THR 3 -32.536 44.938 151.360
12 HA THR 3 HA THR 3 -32.945 43.672 153.237
13 HB THR 3 HB THR 3 -34.275 41.497 151.697
14 HG1 THR 3 HG1 THR 3 -36.023 42.757 151.264
15 HG21 THR 3 HG21 THR 3 -35.656 41.391 153.597
16 HG22 THR 3 HG22 THR 3 -35.314 43.061 154.051
17 HG23 THR 3 HG23 THR 3 -34.082 41.818 154.269
18 H THR 4 H THR 4 -32.024 41.894 154.326
19 HA THR 4 HA THR 4 -30.534 39.920 152.779
20 HB THR 4 HB THR 4 -28.409 40.443 153.956
21 HG1 THR 4 HG1 THR 4 -29.246 41.562 155.712
22 HG21 THR 4 HG21 THR 4 -27.790 42.241 152.520
23 HG22 THR 4 HG22 THR 4 -29.433 42.882 152.496
24 HG23 THR 4 HG23 THR 4 -29.064 41.370 151.665
25 H THR 5 H THR 5 -29.208 38.526 154.462
26 HA THR 5 HA THR 5 -30.444 38.317 157.074
27 HB THR 5 HB THR 5 -30.741 35.969 155.201
28 HG1 THR 5 HG1 THR 5 -32.992 37.328 155.965
29 HG21 THR 5 HG21 THR 5 -32.254 36.587 157.734
30 HG22 THR 5 HG22 THR 5 -30.694 35.764 157.774
31 HG23 THR 5 HG23 THR 5 -32.056 35.032 156.925
32 HA PRO 6 HA PRO 6 -26.082 36.788 156.679
33 HB2 PRO 6 HB2 PRO 6 -25.388 38.476 158.905
34 HB3 PRO 6 HB3 PRO 6 -24.850 38.602 157.224
35 HG2 PRO 6 HG2 PRO 6 -26.544 40.365 158.548
36 HG3 PRO 6 HG3 PRO 6 -26.278 40.275 156.803
37 HD2 PRO 6 HD2 PRO 6 -28.594 39.341 158.389
38 HD3 PRO 6 HD3 PRO 6 -28.499 39.762 156.665
39 H LEU 7 H LEU 7 -25.762 34.876 157.640
40 HA LEU 7 HA LEU 7 -25.949 34.597 160.516
41 HB2 LEU 7 HB2 LEU 7 -28.237 34.009 159.036
42 HB3 LEU 7 HB3 LEU 7 -27.488 32.440 159.324
43 HG LEU 7 HG LEU 7 -28.135 34.516 161.440
44 HD11 LEU 7 HD11 LEU 7 -29.326 31.905 161.783
45 HD12 LEU 7 HD12 LEU 7 -29.749 32.557 160.199
46 HD13 LEU 7 HD13 LEU 7 -30.120 33.475 161.658
47 HD21 LEU 7 HD21 LEU 7 -26.429 32.112 161.396
48 HD22 LEU 7 HD22 LEU 7 -27.591 32.149 162.721
49 HD23 LEU 7 HD23 LEU 7 -26.432 33.464 162.527
50 H LYS 8 H LYS 8 -23.920 33.841 160.724
51 HA LYS 8 HA LYS 8 -22.853 31.859 158.885
52 HB2 LYS 8 HB2 LYS 8 -21.626 33.842 160.170
53 HB3 LYS 8 HB3 LYS 8 -21.440 32.597 161.406
54 HG2 LYS 8 HG2 LYS 8 -20.592 32.363 158.503
55 HG3 LYS 8 HG3 LYS 8 -19.514 32.565 159.885
56 HD2 LYS 8 HD2 LYS 8 -20.603 30.424 160.820
57 HD3 LYS 8 HD3 LYS 8 -21.235 30.184 159.190
58 HE2 LYS 8 HE2 LYS 8 -18.863 30.422 158.339
59 HE3 LYS 8 HE3 LYS 8 -18.330 30.381 160.019
60 HZ1 LYS 8 HZ1 LYS 8 -18.619 28.194 160.111
61 HZ2 LYS 8 HZ2 LYS 8 -18.782 28.218 158.420
62 HZ3 LYS 8 HZ3 LYS 8 -20.161 28.276 159.412
63 HN1 NH2 9 HN1 NH2 9 -22.980 30.169 162.595
64 HN2 NH2 9 HN2 NH2 9 -23.169 31.854 162.512
Start of MODEL 3
1 H1 ACE 1 H1 ACE 1 -31.891 47.877 147.936
2 H2 ACE 1 H2 ACE 1 -32.491 46.927 146.576
3 H3 ACE 1 H3 ACE 1 -31.002 46.454 147.394
4 HA PRO 2 HA PRO 2 -34.507 44.086 149.298
5 HB2 PRO 2 HB2 PRO 2 -32.993 41.669 148.878
6 HB3 PRO 2 HB3 PRO 2 -34.518 42.154 148.120
7 HG2 PRO 2 HG2 PRO 2 -32.084 41.932 146.833
8 HG3 PRO 2 HG3 PRO 2 -33.488 42.829 146.239
9 HD2 PRO 2 HD2 PRO 2 -31.001 43.861 147.521
10 HD3 PRO 2 HD3 PRO 2 -32.058 44.633 146.317
11 H THR 3 H THR 3 -34.330 42.421 151.138
12 HA THR 3 HA THR 3 -32.148 43.272 152.918
13 HB THR 3 HB THR 3 -33.562 42.506 154.738
14 HG1 THR 3 HG1 THR 3 -35.561 41.847 152.880
15 HG21 THR 3 HG21 THR 3 -34.235 44.559 152.900
16 HG22 THR 3 HG22 THR 3 -34.661 44.460 154.608
17 HG23 THR 3 HG23 THR 3 -35.747 43.795 153.387
18 H THR 4 H THR 4 -30.571 41.918 153.500
19 HA THR 4 HA THR 4 -30.629 39.178 152.493
20 HB THR 4 HB THR 4 -28.321 39.182 152.717
21 HG1 THR 4 HG1 THR 4 -27.363 39.940 154.435
22 HG21 THR 4 HG21 THR 4 -29.255 41.155 151.324
23 HG22 THR 4 HG22 THR 4 -27.550 41.199 151.772
24 HG23 THR 4 HG23 THR 4 -28.721 42.168 152.665
25 H THR 5 H THR 5 -29.374 37.612 154.115
26 HA THR 5 HA THR 5 -30.150 37.939 156.887
27 HB THR 5 HB THR 5 -31.426 35.783 155.186
28 HG1 THR 5 HG1 THR 5 -32.159 38.256 155.887
29 HG21 THR 5 HG21 THR 5 -31.400 34.608 157.116
30 HG22 THR 5 HG22 THR 5 -32.588 35.772 157.702
31 HG23 THR 5 HG23 THR 5 -30.874 36.008 158.051
32 HA PRO 6 HA PRO 6 -26.448 35.280 156.084
33 HB2 PRO 6 HB2 PRO 6 -24.945 36.991 157.850
34 HB3 PRO 6 HB3 PRO 6 -24.742 36.767 156.107
35 HG2 PRO 6 HG2 PRO 6 -25.643 39.071 157.335
36 HG3 PRO 6 HG3 PRO 6 -25.859 38.660 155.628
37 HD2 PRO 6 HD2 PRO 6 -27.827 38.510 157.863
38 HD3 PRO 6 HD3 PRO 6 -28.100 38.809 156.132
39 H LEU 7 H LEU 7 -26.692 33.475 157.279
40 HA LEU 7 HA LEU 7 -27.780 33.127 159.749
41 HB2 LEU 7 HB2 LEU 7 -25.578 31.633 158.346
42 HB3 LEU 7 HB3 LEU 7 -26.136 31.133 159.943
43 HG LEU 7 HG LEU 7 -28.259 31.692 157.946
44 HD11 LEU 7 HD11 LEU 7 -27.935 29.297 157.072
45 HD12 LEU 7 HD12 LEU 7 -26.295 29.406 157.712
46 HD13 LEU 7 HD13 LEU 7 -26.825 30.520 156.451
47 HD21 LEU 7 HD21 LEU 7 -29.322 29.834 159.068
48 HD22 LEU 7 HD22 LEU 7 -28.589 30.848 160.311
49 HD23 LEU 7 HD23 LEU 7 -27.800 29.349 159.816
50 H LYS 8 H LYS 8 -24.502 34.175 159.018
51 HA LYS 8 HA LYS 8 -24.203 35.172 161.730
52 HB2 LYS 8 HB2 LYS 8 -22.165 33.967 162.224
53 HB3 LYS 8 HB3 LYS 8 -23.430 32.794 161.854
54 HG2 LYS 8 HG2 LYS 8 -22.559 32.896 159.427
55 HG3 LYS 8 HG3 LYS 8 -21.131 33.677 160.110
56 HD2 LYS 8 HD2 LYS 8 -20.994 31.705 161.729
57 HD3 LYS 8 HD3 LYS 8 -22.194 30.910 160.710
58 HE2 LYS 8 HE2 LYS 8 -20.344 31.836 158.871
59 HE3 LYS 8 HE3 LYS 8 -19.334 31.339 160.229
60 HZ1 LYS 8 HZ1 LYS 8 -20.929 29.278 160.168
61 HZ2 LYS 8 HZ2 LYS 8 -19.567 29.364 159.155
62 HZ3 LYS 8 HZ3 LYS 8 -21.109 29.733 158.544
63 HN1 NH2 9 HN1 NH2 9 -22.147 36.251 158.409
64 HN2 NH2 9 HN2 NH2 9 -22.296 34.583 158.680
Start of MODEL 4
1 H1 ACE 1 H1 ACE 1 -31.698 46.457 147.125
2 H2 ACE 1 H2 ACE 1 -31.187 45.032 146.221
3 H3 ACE 1 H3 ACE 1 -30.319 45.509 147.681
4 HA PRO 2 HA PRO 2 -33.516 42.369 148.874
5 HB2 PRO 2 HB2 PRO 2 -31.443 40.901 150.236
6 HB3 PRO 2 HB3 PRO 2 -32.366 40.420 148.804
7 HG2 PRO 2 HG2 PRO 2 -29.672 41.026 148.851
8 HG3 PRO 2 HG3 PRO 2 -30.698 40.994 147.409
9 HD2 PRO 2 HD2 PRO 2 -29.702 43.340 148.958
10 HD3 PRO 2 HD3 PRO 2 -30.086 43.207 147.226
11 H THR 3 H THR 3 -33.454 41.231 151.299
12 HA THR 3 HA THR 3 -32.743 43.314 153.253
13 HB THR 3 HB THR 3 -35.049 42.697 154.333
14 HG1 THR 3 HG1 THR 3 -36.535 41.973 152.934
15 HG21 THR 3 HG21 THR 3 -34.743 44.935 153.726
16 HG22 THR 3 HG22 THR 3 -36.110 44.460 152.718
17 HG23 THR 3 HG23 THR 3 -34.490 44.540 152.026
18 H THR 4 H THR 4 -32.139 40.346 152.356
19 HA THR 4 HA THR 4 -32.581 38.956 154.885
20 HB THR 4 HB THR 4 -31.388 37.077 153.658
21 HG1 THR 4 HG1 THR 4 -31.516 37.570 151.282
22 HG21 THR 4 HG21 THR 4 -34.000 38.300 153.086
23 HG22 THR 4 HG22 THR 4 -33.601 36.625 153.471
24 HG23 THR 4 HG23 THR 4 -33.426 37.215 151.818
25 H THR 5 H THR 5 -31.087 38.690 156.436
26 HA THR 5 HA THR 5 -28.557 40.083 156.189
27 HB THR 5 HB THR 5 -28.503 38.739 158.602
28 HG1 THR 5 HG1 THR 5 -30.470 38.331 159.179
29 HG21 THR 5 HG21 THR 5 -27.973 41.049 158.462
30 HG22 THR 5 HG22 THR 5 -29.418 40.975 159.470
31 HG23 THR 5 HG23 THR 5 -29.548 41.449 157.776
32 HA PRO 6 HA PRO 6 -25.994 36.608 155.393
33 HB2 PRO 6 HB2 PRO 6 -23.946 37.299 157.300
34 HB3 PRO 6 HB3 PRO 6 -23.973 37.614 155.559
35 HG2 PRO 6 HG2 PRO 6 -24.141 39.530 157.540
36 HG3 PRO 6 HG3 PRO 6 -24.614 39.750 155.850
37 HD2 PRO 6 HD2 PRO 6 -26.336 39.303 158.243
38 HD3 PRO 6 HD3 PRO 6 -26.688 40.196 156.746
39 H LEU 7 H LEU 7 -27.004 34.762 156.140
40 HA LEU 7 HA LEU 7 -27.120 34.087 158.936
41 HB2 LEU 7 HB2 LEU 7 -28.419 33.239 156.599
42 HB3 LEU 7 HB3 LEU 7 -27.513 31.834 157.163
43 HG LEU 7 HG LEU 7 -29.722 31.860 158.214
44 HD11 LEU 7 HD11 LEU 7 -28.867 31.177 160.199
45 HD12 LEU 7 HD12 LEU 7 -28.179 32.765 160.543
46 HD13 LEU 7 HD13 LEU 7 -27.299 31.624 159.527
47 HD21 LEU 7 HD21 LEU 7 -30.708 33.793 158.822
48 HD22 LEU 7 HD22 LEU 7 -29.285 34.657 158.240
49 HD23 LEU 7 HD23 LEU 7 -29.384 34.159 159.928
50 H LYS 8 H LYS 8 -25.426 33.389 160.055
51 HA LYS 8 HA LYS 8 -23.117 32.242 158.712
52 HB2 LYS 8 HB2 LYS 8 -23.660 32.801 161.638
53 HB3 LYS 8 HB3 LYS 8 -22.120 32.247 160.982
54 HG2 LYS 8 HG2 LYS 8 -23.049 34.514 159.464
55 HG3 LYS 8 HG3 LYS 8 -23.040 34.918 161.181
56 HD2 LYS 8 HD2 LYS 8 -20.705 33.642 159.730
57 HD3 LYS 8 HD3 LYS 8 -20.850 35.372 160.035
58 HE2 LYS 8 HE2 LYS 8 -20.118 35.118 162.147
59 HE3 LYS 8 HE3 LYS 8 -21.345 33.892 162.467
60 HZ1 LYS 8 HZ1 LYS 8 -19.692 32.478 160.986
61 HZ2 LYS 8 HZ2 LYS 8 -19.509 32.613 162.670
62 HZ3 LYS 8 HZ3 LYS 8 -18.569 33.573 161.631
63 HN1 NH2 9 HN1 NH2 9 -25.132 30.883 161.533
64 HN2 NH2 9 HN2 NH2 9 -25.628 29.669 160.455
Start of MODEL 5
1 H1 ACE 1 H1 ACE 1 -31.704 44.053 146.818
2 H2 ACE 1 H2 ACE 1 -33.326 43.358 146.831
3 H3 ACE 1 H3 ACE 1 -31.915 42.305 146.710
4 HA PRO 2 HA PRO 2 -33.676 42.978 151.177
5 HB2 PRO 2 HB2 PRO 2 -33.487 40.113 151.403
6 HB3 PRO 2 HB3 PRO 2 -34.940 41.122 151.461
7 HG2 PRO 2 HG2 PRO 2 -33.862 39.537 149.259
8 HG3 PRO 2 HG3 PRO 2 -35.494 40.182 149.496
9 HD2 PRO 2 HD2 PRO 2 -33.756 41.158 147.615
10 HD3 PRO 2 HD3 PRO 2 -35.021 42.149 148.378
11 H THR 3 H THR 3 -32.290 43.085 152.890
12 HA THR 3 HA THR 3 -29.525 42.843 152.539
13 HB THR 3 HB THR 3 -30.489 44.240 154.292
14 HG1 THR 3 HG1 THR 3 -29.287 42.762 156.073
15 HG21 THR 3 HG21 THR 3 -31.064 42.171 156.230
16 HG22 THR 3 HG22 THR 3 -32.061 41.958 154.791
17 HG23 THR 3 HG23 THR 3 -32.098 43.486 155.670
18 H THR 4 H THR 4 -28.136 41.449 154.074
19 HA THR 4 HA THR 4 -28.828 38.665 153.536
20 HB THR 4 HB THR 4 -26.542 38.169 154.009
21 HG1 THR 4 HG1 THR 4 -25.510 39.264 155.453
22 HG21 THR 4 HG21 THR 4 -27.143 39.572 151.922
23 HG22 THR 4 HG22 THR 4 -25.444 39.485 152.386
24 HG23 THR 4 HG23 THR 4 -26.393 40.918 152.780
25 H THR 5 H THR 5 -30.630 38.874 155.170
26 HA THR 5 HA THR 5 -29.852 38.938 157.962
27 HB THR 5 HB THR 5 -32.522 37.924 157.464
28 HG1 THR 5 HG1 THR 5 -31.722 39.399 155.554
29 HG21 THR 5 HG21 THR 5 -33.122 39.829 158.848
30 HG22 THR 5 HG22 THR 5 -31.543 40.565 158.578
31 HG23 THR 5 HG23 THR 5 -31.673 39.076 159.515
32 HA PRO 6 HA PRO 6 -30.959 34.289 157.472
33 HB2 PRO 6 HB2 PRO 6 -30.750 33.568 154.689
34 HB3 PRO 6 HB3 PRO 6 -32.183 33.527 155.727
35 HG2 PRO 6 HG2 PRO 6 -31.789 35.245 153.602
36 HG3 PRO 6 HG3 PRO 6 -32.961 35.470 154.908
37 HD2 PRO 6 HD2 PRO 6 -30.319 36.792 154.502
38 HD3 PRO 6 HD3 PRO 6 -31.785 37.412 155.295
39 H LEU 7 H LEU 7 -28.411 35.860 157.242
40 HA LEU 7 HA LEU 7 -26.644 33.571 156.689
41 HB2 LEU 7 HB2 LEU 7 -26.809 35.453 154.821
42 HB3 LEU 7 HB3 LEU 7 -25.697 36.290 155.905
43 HG LEU 7 HG LEU 7 -24.399 34.992 154.310
44 HD11 LEU 7 HD11 LEU 7 -23.024 33.800 155.841
45 HD12 LEU 7 HD12 LEU 7 -24.389 33.416 156.889
46 HD13 LEU 7 HD13 LEU 7 -23.780 35.069 156.805
47 HD21 LEU 7 HD21 LEU 7 -25.280 32.350 155.242
48 HD22 LEU 7 HD22 LEU 7 -25.002 32.924 153.598
49 HD23 LEU 7 HD23 LEU 7 -26.543 33.240 154.393
50 H LYS 8 H LYS 8 -26.123 33.191 158.797
51 HA LYS 8 HA LYS 8 -25.158 33.495 160.860
52 HB2 LYS 8 HB2 LYS 8 -23.638 35.416 159.117
53 HB3 LYS 8 HB3 LYS 8 -23.299 35.309 160.845
54 HG2 LYS 8 HG2 LYS 8 -22.911 32.879 160.617
55 HG3 LYS 8 HG3 LYS 8 -23.231 32.994 158.886
56 HD2 LYS 8 HD2 LYS 8 -20.932 33.190 158.848
57 HD3 LYS 8 HD3 LYS 8 -21.356 34.891 159.047
58 HE2 LYS 8 HE2 LYS 8 -19.743 34.535 160.728
59 HE3 LYS 8 HE3 LYS 8 -21.273 34.389 161.594
60 HZ1 LYS 8 HZ1 LYS 8 -21.143 31.982 161.311
61 HZ2 LYS 8 HZ2 LYS 8 -19.799 32.579 162.160
62 HZ3 LYS 8 HZ3 LYS 8 -19.649 32.143 160.525
63 HN1 NH2 9 HN1 NH2 9 -26.794 35.755 162.724
64 HN2 NH2 9 HN2 NH2 9 -27.341 34.458 161.777
Start of MODEL 6
1 H1 ACE 1 H1 ACE 1 -35.153 47.569 147.415
2 H2 ACE 1 H2 ACE 1 -33.658 47.960 148.265
3 H3 ACE 1 H3 ACE 1 -35.213 48.216 149.055
4 HA PRO 2 HA PRO 2 -34.554 43.459 148.934
5 HB2 PRO 2 HB2 PRO 2 -31.869 42.879 148.064
6 HB3 PRO 2 HB3 PRO 2 -33.393 42.456 147.269
7 HG2 PRO 2 HG2 PRO 2 -31.536 44.267 146.322
8 HG3 PRO 2 HG3 PRO 2 -33.226 44.161 145.813
9 HD2 PRO 2 HD2 PRO 2 -31.938 46.112 147.663
10 HD3 PRO 2 HD3 PRO 2 -33.339 46.326 146.589
11 H THR 3 H THR 3 -34.045 42.388 150.797
12 HA THR 3 HA THR 3 -31.973 43.594 152.511
13 HB THR 3 HB THR 3 -33.605 43.508 154.050
14 HG1 THR 3 HG1 THR 3 -34.206 41.092 154.485
15 HG21 THR 3 HG21 THR 3 -35.064 41.684 152.123
16 HG22 THR 3 HG22 THR 3 -35.296 43.420 152.310
17 HG23 THR 3 HG23 THR 3 -35.764 42.326 153.610
18 H THR 4 H THR 4 -31.031 41.897 154.117
19 HA THR 4 HA THR 4 -30.585 39.281 152.906
20 HB THR 4 HB THR 4 -28.892 40.806 151.867
21 HG1 THR 4 HG1 THR 4 -28.043 38.781 153.654
22 HG21 THR 4 HG21 THR 4 -27.199 41.831 153.198
23 HG22 THR 4 HG22 THR 4 -27.710 40.960 154.644
24 HG23 THR 4 HG23 THR 4 -28.728 42.237 153.977
25 H THR 5 H THR 5 -30.159 37.734 154.400
26 HA THR 5 HA THR 5 -29.136 38.403 157.026
27 HB THR 5 HB THR 5 -31.362 38.939 157.565
28 HG1 THR 5 HG1 THR 5 -31.981 36.547 158.383
29 HG21 THR 5 HG21 THR 5 -32.505 38.267 155.575
30 HG22 THR 5 HG22 THR 5 -33.249 37.368 156.897
31 HG23 THR 5 HG23 THR 5 -32.092 36.572 155.830
32 HA PRO 6 HA PRO 6 -28.285 34.088 155.540
33 HB2 PRO 6 HB2 PRO 6 -25.468 34.583 155.890
34 HB3 PRO 6 HB3 PRO 6 -26.350 34.292 154.383
35 HG2 PRO 6 HG2 PRO 6 -25.172 36.679 155.118
36 HG3 PRO 6 HG3 PRO 6 -26.417 36.482 153.878
37 HD2 PRO 6 HD2 PRO 6 -26.685 37.504 156.666
38 HD3 PRO 6 HD3 PRO 6 -27.626 37.915 155.211
39 H LEU 7 H LEU 7 -26.805 32.407 156.679
40 HA LEU 7 HA LEU 7 -27.547 32.080 159.311
41 HB2 LEU 7 HB2 LEU 7 -25.924 30.703 157.486
42 HB3 LEU 7 HB3 LEU 7 -24.903 30.978 158.896
43 HG LEU 7 HG LEU 7 -26.130 28.881 159.173
44 HD11 LEU 7 HD11 LEU 7 -26.019 30.953 161.001
45 HD12 LEU 7 HD12 LEU 7 -26.491 29.295 161.373
46 HD13 LEU 7 HD13 LEU 7 -27.725 30.506 161.027
47 HD21 LEU 7 HD21 LEU 7 -28.196 30.333 157.890
48 HD22 LEU 7 HD22 LEU 7 -28.792 29.946 159.504
49 HD23 LEU 7 HD23 LEU 7 -28.247 28.656 158.433
50 H LYS 8 H LYS 8 -24.199 32.906 158.381
51 HA LYS 8 HA LYS 8 -24.083 34.998 160.391
52 HB2 LYS 8 HB2 LYS 8 -23.651 32.793 161.594
53 HB3 LYS 8 HB3 LYS 8 -22.170 32.677 160.643
54 HG2 LYS 8 HG2 LYS 8 -21.529 34.957 161.497
55 HG3 LYS 8 HG3 LYS 8 -22.926 34.888 162.572
56 HD2 LYS 8 HD2 LYS 8 -21.377 33.986 164.007
57 HD3 LYS 8 HD3 LYS 8 -21.819 32.504 163.160
58 HE2 LYS 8 HE2 LYS 8 -19.947 33.136 161.489
59 HE3 LYS 8 HE3 LYS 8 -19.398 34.252 162.739
60 HZ1 LYS 8 HZ1 LYS 8 -19.085 32.487 164.247
61 HZ2 LYS 8 HZ2 LYS 8 -18.380 31.979 162.789
62 HZ3 LYS 8 HZ3 LYS 8 -19.899 31.379 163.255
63 HN1 NH2 9 HN1 NH2 9 -21.731 33.847 157.396
64 HN2 NH2 9 HN2 NH2 9 -21.076 33.312 158.868
Start of MODEL 7
1 H1 ACE 1 H1 ACE 1 -31.352 42.946 147.197
2 H2 ACE 1 H2 ACE 1 -32.779 42.209 147.927
3 H3 ACE 1 H3 ACE 1 -31.342 41.233 147.617
4 HA PRO 2 HA PRO 2 -29.733 44.406 150.991
5 HB2 PRO 2 HB2 PRO 2 -32.107 45.640 152.059
6 HB3 PRO 2 HB3 PRO 2 -30.728 46.420 151.269
7 HG2 PRO 2 HG2 PRO 2 -33.354 45.744 150.187
8 HG3 PRO 2 HG3 PRO 2 -32.144 46.889 149.588
9 HD2 PRO 2 HD2 PRO 2 -32.718 44.523 148.330
10 HD3 PRO 2 HD3 PRO 2 -31.126 45.312 148.241
11 H THR 3 H THR 3 -32.759 42.664 151.071
12 HA THR 3 HA THR 3 -33.046 42.189 153.810
13 HB THR 3 HB THR 3 -33.646 40.147 151.669
14 HG1 THR 3 HG1 THR 3 -35.669 41.312 151.556
15 HG21 THR 3 HG21 THR 3 -33.943 39.618 154.132
16 HG22 THR 3 HG22 THR 3 -35.404 39.475 153.156
17 HG23 THR 3 HG23 THR 3 -35.163 40.891 154.179
18 H THR 4 H THR 4 -31.217 41.706 154.945
19 HA THR 4 HA THR 4 -29.436 39.589 154.016
20 HB THR 4 HB THR 4 -29.287 41.181 156.584
21 HG1 THR 4 HG1 THR 4 -27.613 42.258 155.161
22 HG21 THR 4 HG21 THR 4 -27.400 40.019 156.972
23 HG22 THR 4 HG22 THR 4 -26.801 40.352 155.347
24 HG23 THR 4 HG23 THR 4 -27.849 38.963 155.633
25 H THR 5 H THR 5 -31.009 37.863 154.174
26 HA THR 5 HA THR 5 -32.046 37.154 156.786
27 HB THR 5 HB THR 5 -32.199 35.044 154.808
28 HG1 THR 5 HG1 THR 5 -32.188 36.443 153.191
29 HG21 THR 5 HG21 THR 5 -34.604 35.338 155.228
30 HG22 THR 5 HG22 THR 5 -34.278 36.861 156.057
31 HG23 THR 5 HG23 THR 5 -33.704 35.342 156.745
32 HA PRO 6 HA PRO 6 -28.741 33.717 156.198
33 HB2 PRO 6 HB2 PRO 6 -26.777 34.627 154.296
34 HB3 PRO 6 HB3 PRO 6 -27.862 33.235 154.169
35 HG2 PRO 6 HG2 PRO 6 -27.995 35.521 152.624
36 HG3 PRO 6 HG3 PRO 6 -29.298 34.344 152.840
37 HD2 PRO 6 HD2 PRO 6 -28.964 37.033 154.087
38 HD3 PRO 6 HD3 PRO 6 -30.454 36.149 153.683
39 H LEU 7 H LEU 7 -27.875 34.141 158.178
40 HA LEU 7 HA LEU 7 -26.383 36.474 158.821
41 HB2 LEU 7 HB2 LEU 7 -26.879 33.841 160.175
42 HB3 LEU 7 HB3 LEU 7 -25.687 34.963 160.831
43 HG LEU 7 HG LEU 7 -27.367 36.723 160.989
44 HD11 LEU 7 HD11 LEU 7 -29.797 35.998 160.512
45 HD12 LEU 7 HD12 LEU 7 -29.088 34.671 159.590
46 HD13 LEU 7 HD13 LEU 7 -28.773 36.341 159.116
47 HD21 LEU 7 HD21 LEU 7 -28.538 35.863 162.833
48 HD22 LEU 7 HD22 LEU 7 -27.164 34.763 162.717
49 HD23 LEU 7 HD23 LEU 7 -28.738 34.278 162.087
50 H LYS 8 H LYS 8 -24.135 35.877 160.061
51 HA LYS 8 HA LYS 8 -21.894 35.481 159.750
52 HB2 LYS 8 HB2 LYS 8 -22.738 33.187 157.976
53 HB3 LYS 8 HB3 LYS 8 -21.255 33.340 158.919
54 HG2 LYS 8 HG2 LYS 8 -22.591 33.312 161.006
55 HG3 LYS 8 HG3 LYS 8 -24.060 33.109 160.049
56 HD2 LYS 8 HD2 LYS 8 -23.705 30.894 159.869
57 HD3 LYS 8 HD3 LYS 8 -22.074 31.162 159.253
58 HE2 LYS 8 HE2 LYS 8 -22.804 31.292 162.191
59 HE3 LYS 8 HE3 LYS 8 -22.149 29.854 161.406
60 HZ1 LYS 8 HZ1 LYS 8 -20.743 32.407 161.079
61 HZ2 LYS 8 HZ2 LYS 8 -20.123 30.824 161.096
62 HZ3 LYS 8 HZ3 LYS 8 -20.581 31.576 162.548
63 HN1 NH2 9 HN1 NH2 9 -21.672 35.325 155.731
64 HN2 NH2 9 HN2 NH2 9 -21.628 33.982 156.768
Start of MODEL 8
1 H1 ACE 1 H1 ACE 1 -35.183 47.329 151.446
2 H2 ACE 1 H2 ACE 1 -34.572 46.624 152.943
3 H3 ACE 1 H3 ACE 1 -36.247 46.356 152.461
4 HA PRO 2 HA PRO 2 -33.767 44.053 148.913
5 HB2 PRO 2 HB2 PRO 2 -31.064 43.853 149.890
6 HB3 PRO 2 HB3 PRO 2 -31.638 44.636 148.409
7 HG2 PRO 2 HG2 PRO 2 -30.907 45.820 150.976
8 HG3 PRO 2 HG3 PRO 2 -31.053 46.576 149.383
9 HD2 PRO 2 HD2 PRO 2 -32.827 47.026 151.420
10 HD3 PRO 2 HD3 PRO 2 -33.273 47.130 149.701
11 H THR 3 H THR 3 -32.806 41.812 148.954
12 HA THR 3 HA THR 3 -33.481 40.515 151.511
13 HB THR 3 HB THR 3 -33.152 39.268 148.773
14 HG1 THR 3 HG1 THR 3 -35.323 39.435 148.610
15 HG21 THR 3 HG21 THR 3 -34.392 37.394 149.843
16 HG22 THR 3 HG22 THR 3 -34.311 38.253 151.382
17 HG23 THR 3 HG23 THR 3 -32.830 37.691 150.608
18 H THR 4 H THR 4 -31.574 40.719 152.661
19 HA THR 4 HA THR 4 -29.425 38.935 151.817
20 HB THR 4 HB THR 4 -28.710 41.061 150.862
21 HG1 THR 4 HG1 THR 4 -26.798 40.623 151.564
22 HG21 THR 4 HG21 THR 4 -29.961 42.113 153.193
23 HG22 THR 4 HG22 THR 4 -29.252 43.004 151.847
24 HG23 THR 4 HG23 THR 4 -28.261 42.583 153.244
25 H THR 5 H THR 5 -30.519 37.848 153.663
26 HA THR 5 HA THR 5 -30.158 39.004 156.296
27 HB THR 5 HB THR 5 -32.039 37.685 156.342
28 HG1 THR 5 HG1 THR 5 -30.178 35.608 156.751
29 HG21 THR 5 HG21 THR 5 -30.573 35.975 154.337
30 HG22 THR 5 HG22 THR 5 -32.082 36.864 154.127
31 HG23 THR 5 HG23 THR 5 -32.047 35.409 155.123
32 HA PRO 6 HA PRO 6 -26.023 37.294 156.477
33 HB2 PRO 6 HB2 PRO 6 -25.687 38.648 158.999
34 HB3 PRO 6 HB3 PRO 6 -25.006 39.081 157.424
35 HG2 PRO 6 HG2 PRO 6 -26.926 40.520 158.794
36 HG3 PRO 6 HG3 PRO 6 -26.565 40.661 157.067
37 HD2 PRO 6 HD2 PRO 6 -28.832 39.262 158.408
38 HD3 PRO 6 HD3 PRO 6 -28.768 40.039 156.810
39 H LEU 7 H LEU 7 -26.330 35.130 156.924
40 HA LEU 7 HA LEU 7 -27.210 34.355 159.618
41 HB2 LEU 7 HB2 LEU 7 -28.123 33.330 157.418
42 HB3 LEU 7 HB3 LEU 7 -26.599 32.445 157.377
43 HG LEU 7 HG LEU 7 -27.238 31.949 159.918
44 HD11 LEU 7 HD11 LEU 7 -29.984 31.923 158.707
45 HD12 LEU 7 HD12 LEU 7 -29.377 33.418 159.420
46 HD13 LEU 7 HD13 LEU 7 -29.515 31.963 160.407
47 HD21 LEU 7 HD21 LEU 7 -28.322 29.848 159.118
48 HD22 LEU 7 HD22 LEU 7 -26.859 30.235 158.210
49 HD23 LEU 7 HD23 LEU 7 -28.445 30.555 157.506
50 H LYS 8 H LYS 8 -25.519 34.492 160.999
51 HA LYS 8 HA LYS 8 -23.511 33.995 161.996
52 HB2 LYS 8 HB2 LYS 8 -24.416 31.645 160.958
53 HB3 LYS 8 HB3 LYS 8 -22.850 31.784 160.159
54 HG2 LYS 8 HG2 LYS 8 -21.911 32.340 162.497
55 HG3 LYS 8 HG3 LYS 8 -23.440 31.717 163.119
56 HD2 LYS 8 HD2 LYS 8 -22.212 29.760 163.117
57 HD3 LYS 8 HD3 LYS 8 -22.866 29.694 161.480
58 HE2 LYS 8 HE2 LYS 8 -20.600 29.338 161.072
59 HE3 LYS 8 HE3 LYS 8 -20.712 31.087 160.878
60 HZ1 LYS 8 HZ1 LYS 8 -19.526 29.527 163.047
61 HZ2 LYS 8 HZ2 LYS 8 -20.269 31.000 163.454
62 HZ3 LYS 8 HZ3 LYS 8 -18.993 30.970 162.334
63 HN1 NH2 9 HN1 NH2 9 -21.025 33.197 161.037
64 HN2 NH2 9 HN2 NH2 9 -20.496 34.417 159.984
Start of MODEL 9
1 H1 ACE 1 H1 ACE 1 -35.271 46.464 149.947
2 H2 ACE 1 H2 ACE 1 -36.326 46.612 151.354
3 H3 ACE 1 H3 ACE 1 -36.927 45.858 149.876
4 HA PRO 2 HA PRO 2 -35.840 41.751 150.926
5 HB2 PRO 2 HB2 PRO 2 -33.652 41.372 149.091
6 HB3 PRO 2 HB3 PRO 2 -35.319 40.799 148.939
7 HG2 PRO 2 HG2 PRO 2 -34.021 43.101 147.697
8 HG3 PRO 2 HG3 PRO 2 -35.510 42.261 147.240
9 HD2 PRO 2 HD2 PRO 2 -35.485 44.774 148.330
10 HD3 PRO 2 HD3 PRO 2 -36.842 43.641 148.528
11 H THR 3 H THR 3 -32.754 43.319 150.021
12 HA THR 3 HA THR 3 -30.681 43.224 151.044
13 HB THR 3 HB THR 3 -30.664 44.252 153.213
14 HG1 THR 3 HG1 THR 3 -33.382 43.457 153.320
15 HG21 THR 3 HG21 THR 3 -33.119 45.589 152.440
16 HG22 THR 3 HG22 THR 3 -32.109 45.258 151.032
17 HG23 THR 3 HG23 THR 3 -31.461 46.186 152.384
18 H THR 4 H THR 4 -30.076 41.070 150.843
19 HA THR 4 HA THR 4 -30.919 39.151 152.875
20 HB THR 4 HB THR 4 -28.839 38.529 150.819
21 HG1 THR 4 HG1 THR 4 -30.224 39.446 149.466
22 HG21 THR 4 HG21 THR 4 -31.261 37.035 151.863
23 HG22 THR 4 HG22 THR 4 -29.620 36.855 152.486
24 HG23 THR 4 HG23 THR 4 -29.992 36.375 150.830
25 H THR 5 H THR 5 -29.852 38.931 154.723
26 HA THR 5 HA THR 5 -27.238 40.132 155.083
27 HB THR 5 HB THR 5 -27.792 40.166 157.266
28 HG1 THR 5 HG1 THR 5 -28.837 37.547 157.122
29 HG21 THR 5 HG21 THR 5 -30.408 38.904 156.420
30 HG22 THR 5 HG22 THR 5 -29.998 40.587 156.085
31 HG23 THR 5 HG23 THR 5 -30.138 40.028 157.752
32 HA PRO 6 HA PRO 6 -24.770 36.501 154.879
33 HB2 PRO 6 HB2 PRO 6 -23.537 36.670 157.479
34 HB3 PRO 6 HB3 PRO 6 -22.892 37.212 155.922
35 HG2 PRO 6 HG2 PRO 6 -23.653 38.858 158.006
36 HG3 PRO 6 HG3 PRO 6 -23.446 39.356 156.321
37 HD2 PRO 6 HD2 PRO 6 -25.962 38.819 157.830
38 HD3 PRO 6 HD3 PRO 6 -25.669 39.937 156.479
39 H LEU 7 H LEU 7 -23.993 34.452 156.150
40 HA LEU 7 HA LEU 7 -26.385 33.180 157.209
41 HB2 LEU 7 HB2 LEU 7 -24.525 32.226 155.562
42 HB3 LEU 7 HB3 LEU 7 -23.764 31.763 157.085
43 HG LEU 7 HG LEU 7 -26.582 31.058 156.217
44 HD11 LEU 7 HD11 LEU 7 -25.679 28.737 156.248
45 HD12 LEU 7 HD12 LEU 7 -24.075 29.389 156.584
46 HD13 LEU 7 HD13 LEU 7 -24.871 29.750 155.053
47 HD21 LEU 7 HD21 LEU 7 -26.666 31.288 158.572
48 HD22 LEU 7 HD22 LEU 7 -25.036 30.646 158.778
49 HD23 LEU 7 HD23 LEU 7 -26.358 29.569 158.326
50 H LYS 8 H LYS 8 -26.841 33.364 159.304
51 HA LYS 8 HA LYS 8 -26.606 33.434 161.587
52 HB2 LYS 8 HB2 LYS 8 -25.504 31.212 161.086
53 HB3 LYS 8 HB3 LYS 8 -23.955 32.056 161.136
54 HG2 LYS 8 HG2 LYS 8 -23.976 31.710 163.367
55 HG3 LYS 8 HG3 LYS 8 -25.263 32.914 163.445
56 HD2 LYS 8 HD2 LYS 8 -26.949 31.142 163.135
57 HD3 LYS 8 HD3 LYS 8 -25.666 29.934 163.049
58 HE2 LYS 8 HE2 LYS 8 -26.532 29.932 165.308
59 HE3 LYS 8 HE3 LYS 8 -24.928 30.665 165.344
60 HZ1 LYS 8 HZ1 LYS 8 -27.323 32.344 164.998
61 HZ2 LYS 8 HZ2 LYS 8 -25.797 32.769 165.610
62 HZ3 LYS 8 HZ3 LYS 8 -26.860 31.832 166.548
63 HN1 NH2 9 HN1 NH2 9 -23.148 33.774 162.244
64 HN2 NH2 9 HN2 NH2 9 -22.886 34.856 160.964
Start of MODEL 10
1 H1 ACE 1 H1 ACE 1 -28.151 42.580 146.787
2 H2 ACE 1 H2 ACE 1 -29.667 43.008 145.993
3 H3 ACE 1 H3 ACE 1 -29.392 41.353 146.536
4 HA PRO 2 HA PRO 2 -31.810 44.209 149.616
5 HB2 PRO 2 HB2 PRO 2 -33.649 42.001 149.816
6 HB3 PRO 2 HB3 PRO 2 -33.958 43.629 149.194
7 HG2 PRO 2 HG2 PRO 2 -33.448 41.148 147.742
8 HG3 PRO 2 HG3 PRO 2 -34.181 42.657 147.179
9 HD2 PRO 2 HD2 PRO 2 -31.689 41.825 146.404
10 HD3 PRO 2 HD3 PRO 2 -32.160 43.537 146.489
11 H THR 3 H THR 3 -31.732 43.893 151.845
12 HA THR 3 HA THR 3 -30.228 41.520 152.722
13 HB THR 3 HB THR 3 -30.769 43.843 154.521
14 HG1 THR 3 HG1 THR 3 -28.939 43.791 152.357
15 HG21 THR 3 HG21 THR 3 -28.706 43.215 155.483
16 HG22 THR 3 HG22 THR 3 -28.202 42.340 154.037
17 HG23 THR 3 HG23 THR 3 -29.469 41.679 155.069
18 H THR 4 H THR 4 -31.041 40.078 154.147
19 HA THR 4 HA THR 4 -33.477 40.674 155.636
20 HB THR 4 HB THR 4 -34.625 38.643 154.786
21 HG1 THR 4 HG1 THR 4 -32.862 38.643 152.617
22 HG21 THR 4 HG21 THR 4 -33.898 40.474 152.495
23 HG22 THR 4 HG22 THR 4 -34.934 40.992 153.825
24 HG23 THR 4 HG23 THR 4 -35.432 39.656 152.787
25 H THR 5 H THR 5 -31.047 40.348 156.768
26 HA THR 5 HA THR 5 -29.844 39.106 158.286
27 HB THR 5 HB THR 5 -32.462 37.637 158.660
28 HG1 THR 5 HG1 THR 5 -31.862 40.211 158.979
29 HG21 THR 5 HG21 THR 5 -31.587 37.462 161.006
30 HG22 THR 5 HG22 THR 5 -30.065 38.149 160.440
31 HG23 THR 5 HG23 THR 5 -30.612 36.591 159.824
32 HA PRO 6 HA PRO 6 -29.357 35.570 155.339
33 HB2 PRO 6 HB2 PRO 6 -26.619 36.381 154.953
34 HB3 PRO 6 HB3 PRO 6 -27.944 36.399 153.779
35 HG2 PRO 6 HG2 PRO 6 -26.715 38.628 154.858
36 HG3 PRO 6 HG3 PRO 6 -28.286 38.604 154.048
37 HD2 PRO 6 HD2 PRO 6 -27.674 38.743 156.960
38 HD3 PRO 6 HD3 PRO 6 -29.074 39.378 156.066
39 H LEU 7 H LEU 7 -27.062 34.173 155.291
40 HA LEU 7 HA LEU 7 -26.950 32.979 157.882
41 HB2 LEU 7 HB2 LEU 7 -25.481 32.548 155.297
42 HB3 LEU 7 HB3 LEU 7 -24.974 31.715 156.766
43 HG LEU 7 HG LEU 7 -27.259 30.806 157.034
44 HD11 LEU 7 HD11 LEU 7 -28.663 32.425 156.043
45 HD12 LEU 7 HD12 LEU 7 -28.739 31.065 154.924
46 HD13 LEU 7 HD13 LEU 7 -27.721 32.457 154.552
47 HD21 LEU 7 HD21 LEU 7 -25.441 30.221 154.837
48 HD22 LEU 7 HD22 LEU 7 -27.100 29.794 154.422
49 HD23 LEU 7 HD23 LEU 7 -26.347 29.106 155.858
50 H LYS 8 H LYS 8 -24.517 32.376 158.589
51 HA LYS 8 HA LYS 8 -22.729 34.661 158.510
52 HB2 LYS 8 HB2 LYS 8 -24.129 35.441 160.281
53 HB3 LYS 8 HB3 LYS 8 -24.173 33.847 161.035
54 HG2 LYS 8 HG2 LYS 8 -21.982 34.009 161.823
55 HG3 LYS 8 HG3 LYS 8 -21.531 35.211 160.614
56 HD2 LYS 8 HD2 LYS 8 -22.793 36.928 161.733
57 HD3 LYS 8 HD3 LYS 8 -23.526 35.752 162.826
58 HE2 LYS 8 HE2 LYS 8 -20.571 36.423 162.694
59 HE3 LYS 8 HE3 LYS 8 -21.690 36.974 163.940
60 HZ1 LYS 8 HZ1 LYS 8 -22.151 34.602 164.421
61 HZ2 LYS 8 HZ2 LYS 8 -20.548 35.063 164.746
62 HZ3 LYS 8 HZ3 LYS 8 -20.912 34.173 163.346
63 HN1 NH2 9 HN1 NH2 9 -23.417 31.427 159.918
64 HN2 NH2 9 HN2 NH2 9 -21.792 31.043 160.220
Start of MODEL 11
1 H1 ACE 1 H1 ACE 1 -28.510 45.795 149.382
2 H2 ACE 1 H2 ACE 1 -30.183 46.348 149.284
3 H3 ACE 1 H3 ACE 1 -29.540 45.261 148.054
4 HA PRO 2 HA PRO 2 -30.730 41.529 150.006
5 HB2 PRO 2 HB2 PRO 2 -28.131 40.590 150.818
6 HB3 PRO 2 HB3 PRO 2 -29.098 40.070 149.431
7 HG2 PRO 2 HG2 PRO 2 -26.832 41.909 149.535
8 HG3 PRO 2 HG3 PRO 2 -27.523 41.042 148.155
9 HD2 PRO 2 HD2 PRO 2 -27.764 43.749 148.495
10 HD3 PRO 2 HD3 PRO 2 -28.964 42.767 147.623
11 H THR 3 H THR 3 -31.730 41.564 151.930
12 HA THR 3 HA THR 3 -30.123 42.006 154.359
13 HB THR 3 HB THR 3 -32.861 43.172 154.308
14 HG1 THR 3 HG1 THR 3 -30.970 44.953 153.540
15 HG21 THR 3 HG21 THR 3 -31.262 43.094 156.291
16 HG22 THR 3 HG22 THR 3 -31.900 44.688 155.887
17 HG23 THR 3 HG23 THR 3 -30.259 44.247 155.411
18 H THR 4 H THR 4 -31.989 39.956 152.700
19 HA THR 4 HA THR 4 -33.680 39.038 154.895
20 HB THR 4 HB THR 4 -34.791 38.840 152.844
21 HG1 THR 4 HG1 THR 4 -35.020 36.897 153.821
22 HG21 THR 4 HG21 THR 4 -33.099 39.301 151.262
23 HG22 THR 4 HG22 THR 4 -33.592 37.650 150.889
24 HG23 THR 4 HG23 THR 4 -32.109 37.943 151.797
25 H THR 5 H THR 5 -33.212 37.386 156.220
26 HA THR 5 HA THR 5 -31.957 35.783 157.293
27 HB THR 5 HB THR 5 -31.226 34.837 154.522
28 HG1 THR 5 HG1 THR 5 -33.213 33.821 154.497
29 HG21 THR 5 HG21 THR 5 -32.027 33.045 156.757
30 HG22 THR 5 HG22 THR 5 -30.468 33.856 156.910
31 HG23 THR 5 HG23 THR 5 -30.789 32.819 155.521
32 HA PRO 6 HA PRO 6 -27.993 38.024 156.467
33 HB2 PRO 6 HB2 PRO 6 -27.984 38.847 159.229
34 HB3 PRO 6 HB3 PRO 6 -28.162 39.856 157.785
35 HG2 PRO 6 HG2 PRO 6 -30.134 39.372 159.658
36 HG3 PRO 6 HG3 PRO 6 -30.396 39.974 158.016
37 HD2 PRO 6 HD2 PRO 6 -30.810 37.227 159.100
38 HD3 PRO 6 HD3 PRO 6 -31.660 38.064 157.782
39 H LEU 7 H LEU 7 -28.618 35.214 157.320
40 HA LEU 7 HA LEU 7 -27.054 34.449 159.534
41 HB2 LEU 7 HB2 LEU 7 -28.745 33.012 158.362
42 HB3 LEU 7 HB3 LEU 7 -27.585 32.809 157.049
43 HG LEU 7 HG LEU 7 -25.935 31.924 158.711
44 HD11 LEU 7 HD11 LEU 7 -27.369 31.087 160.851
45 HD12 LEU 7 HD12 LEU 7 -28.188 32.613 160.519
46 HD13 LEU 7 HD13 LEU 7 -26.454 32.594 160.838
47 HD21 LEU 7 HD21 LEU 7 -26.956 30.166 157.595
48 HD22 LEU 7 HD22 LEU 7 -28.570 30.627 158.132
49 HD23 LEU 7 HD23 LEU 7 -27.471 29.814 159.245
50 H LYS 8 H LYS 8 -24.937 33.806 159.742
51 HA LYS 8 HA LYS 8 -23.179 33.726 157.429
52 HB2 LYS 8 HB2 LYS 8 -22.916 35.854 159.563
53 HB3 LYS 8 HB3 LYS 8 -21.628 35.431 158.436
54 HG2 LYS 8 HG2 LYS 8 -23.341 35.848 156.570
55 HG3 LYS 8 HG3 LYS 8 -24.335 36.614 157.808
56 HD2 LYS 8 HD2 LYS 8 -21.877 37.765 158.259
57 HD3 LYS 8 HD3 LYS 8 -21.888 37.594 156.503
58 HE2 LYS 8 HE2 LYS 8 -24.094 38.720 156.418
59 HE3 LYS 8 HE3 LYS 8 -24.046 38.923 158.170
60 HZ1 LYS 8 HZ1 LYS 8 -22.502 40.542 158.036
61 HZ2 LYS 8 HZ2 LYS 8 -23.155 40.752 156.482
62 HZ3 LYS 8 HZ3 LYS 8 -21.723 39.863 156.691
63 HN1 NH2 9 HN1 NH2 9 -21.428 32.290 157.870
64 HN2 NH2 9 HN2 NH2 9 -20.818 32.016 159.430
Start of MODEL 12
1 H1 ACE 1 H1 ACE 1 -32.459 43.559 145.685
2 H2 ACE 1 H2 ACE 1 -32.250 41.829 145.962
3 H3 ACE 1 H3 ACE 1 -30.838 42.871 145.787
4 HA PRO 2 HA PRO 2 -32.850 44.553 149.929
5 HB2 PRO 2 HB2 PRO 2 -34.796 42.567 150.683
6 HB3 PRO 2 HB3 PRO 2 -35.058 44.285 150.347
7 HG2 PRO 2 HG2 PRO 2 -35.532 41.962 148.642
8 HG3 PRO 2 HG3 PRO 2 -36.176 43.605 148.519
9 HD2 PRO 2 HD2 PRO 2 -34.327 42.589 146.773
10 HD3 PRO 2 HD3 PRO 2 -34.454 44.321 147.154
11 H THR 3 H THR 3 -30.941 43.966 150.895
12 HA THR 3 HA THR 3 -30.213 41.233 151.393
13 HB THR 3 HB THR 3 -29.022 43.689 152.689
14 HG1 THR 3 HG1 THR 3 -28.815 44.169 150.609
15 HG21 THR 3 HG21 THR 3 -26.987 42.280 152.680
16 HG22 THR 3 HG22 THR 3 -27.913 40.965 151.954
17 HG23 THR 3 HG23 THR 3 -28.298 41.520 153.583
18 H THR 4 H THR 4 -31.005 39.997 152.959
19 HA THR 4 HA THR 4 -31.460 41.111 155.616
20 HB THR 4 HB THR 4 -33.625 41.413 154.437
21 HG1 THR 4 HG1 THR 4 -33.263 39.674 156.584
22 HG21 THR 4 HG21 THR 4 -34.039 38.464 154.384
23 HG22 THR 4 HG22 THR 4 -33.053 39.161 153.099
24 HG23 THR 4 HG23 THR 4 -34.710 39.714 153.335
25 H THR 5 H THR 5 -31.685 39.472 157.250
26 HA THR 5 HA THR 5 -30.963 37.538 158.264
27 HB THR 5 HB THR 5 -31.815 35.489 157.329
28 HG1 THR 5 HG1 THR 5 -31.042 35.882 155.195
29 HG21 THR 5 HG21 THR 5 -33.487 37.080 158.208
30 HG22 THR 5 HG22 THR 5 -34.149 36.129 156.878
31 HG23 THR 5 HG23 THR 5 -33.643 37.796 156.604
32 HA PRO 6 HA PRO 6 -27.113 37.373 155.701
33 HB2 PRO 6 HB2 PRO 6 -25.643 38.276 158.010
34 HB3 PRO 6 HB3 PRO 6 -25.910 39.125 156.481
35 HG2 PRO 6 HG2 PRO 6 -26.964 39.854 158.928
36 HG3 PRO 6 HG3 PRO 6 -27.560 40.384 157.349
37 HD2 PRO 6 HD2 PRO 6 -28.681 38.321 159.186
38 HD3 PRO 6 HD3 PRO 6 -29.516 39.376 158.024
39 H LEU 7 H LEU 7 -24.804 36.544 156.813
40 HA LEU 7 HA LEU 7 -25.411 33.835 157.609
41 HB2 LEU 7 HB2 LEU 7 -23.255 35.152 156.354
42 HB3 LEU 7 HB3 LEU 7 -22.621 34.503 157.867
43 HG LEU 7 HG LEU 7 -23.672 32.296 157.287
44 HD11 LEU 7 HD11 LEU 7 -23.864 32.765 154.450
45 HD12 LEU 7 HD12 LEU 7 -24.929 33.883 155.303
46 HD13 LEU 7 HD13 LEU 7 -25.096 32.145 155.550
47 HD21 LEU 7 HD21 LEU 7 -22.066 32.119 155.103
48 HD22 LEU 7 HD22 LEU 7 -21.450 32.138 156.755
49 HD23 LEU 7 HD23 LEU 7 -21.468 33.623 155.804
50 H LYS 8 H LYS 8 -23.788 32.957 159.403
51 HA LYS 8 HA LYS 8 -24.582 34.308 161.849
52 HB2 LYS 8 HB2 LYS 8 -22.991 31.763 161.453
53 HB3 LYS 8 HB3 LYS 8 -23.676 32.334 162.975
54 HG2 LYS 8 HG2 LYS 8 -25.505 31.121 162.420
55 HG3 LYS 8 HG3 LYS 8 -25.847 32.405 161.259
56 HD2 LYS 8 HD2 LYS 8 -24.348 31.143 159.623
57 HD3 LYS 8 HD3 LYS 8 -24.399 29.796 160.762
58 HE2 LYS 8 HE2 LYS 8 -26.962 30.036 160.660
59 HE3 LYS 8 HE3 LYS 8 -26.690 31.038 159.235
60 HZ1 LYS 8 HZ1 LYS 8 -27.054 28.671 158.714
61 HZ2 LYS 8 HZ2 LYS 8 -25.641 28.282 159.573
62 HZ3 LYS 8 HZ3 LYS 8 -25.551 29.241 158.173
63 HN1 NH2 9 HN1 NH2 9 -20.770 33.427 162.056
64 HN2 NH2 9 HN2 NH2 9 -21.769 33.684 163.404
Start of MODEL 13
1 H1 ACE 1 H1 ACE 1 -31.440 46.740 149.153
2 H2 ACE 1 H2 ACE 1 -30.708 46.877 150.752
3 H3 ACE 1 H3 ACE 1 -32.462 46.928 150.577
4 HA PRO 2 HA PRO 2 -31.425 42.364 149.123
5 HB2 PRO 2 HB2 PRO 2 -28.693 41.918 149.920
6 HB3 PRO 2 HB3 PRO 2 -29.386 41.837 148.293
7 HG2 PRO 2 HG2 PRO 2 -27.851 43.974 149.557
8 HG3 PRO 2 HG3 PRO 2 -28.170 43.674 147.844
9 HD2 PRO 2 HD2 PRO 2 -29.295 45.749 149.234
10 HD3 PRO 2 HD3 PRO 2 -30.076 44.981 147.832
11 H THR 3 H THR 3 -32.627 41.550 150.769
12 HA THR 3 HA THR 3 -31.605 41.650 153.513
13 HB THR 3 HB THR 3 -34.011 40.354 153.655
14 HG1 THR 3 HG1 THR 3 -34.641 40.561 151.606
15 HG21 THR 3 HG21 THR 3 -33.377 43.314 153.635
16 HG22 THR 3 HG22 THR 3 -33.431 42.241 155.034
17 HG23 THR 3 HG23 THR 3 -34.919 42.654 154.181
18 H THR 4 H THR 4 -29.921 40.120 153.361
19 HA THR 4 HA THR 4 -30.581 37.390 152.568
20 HB THR 4 HB THR 4 -28.112 37.048 153.272
21 HG1 THR 4 HG1 THR 4 -28.029 39.839 152.932
22 HG21 THR 4 HG21 THR 4 -28.500 37.032 150.971
23 HG22 THR 4 HG22 THR 4 -27.410 38.408 151.139
24 HG23 THR 4 HG23 THR 4 -29.145 38.673 150.969
25 H THR 5 H THR 5 -31.754 38.715 154.990
26 HA THR 5 HA THR 5 -32.171 38.258 157.211
27 HB THR 5 HB THR 5 -32.981 36.159 157.415
28 HG1 THR 5 HG1 THR 5 -30.675 34.989 156.306
29 HG21 THR 5 HG21 THR 5 -33.096 36.795 154.888
30 HG22 THR 5 HG22 THR 5 -33.452 35.134 155.360
31 HG23 THR 5 HG23 THR 5 -31.873 35.540 154.688
32 HA PRO 6 HA PRO 6 -28.532 37.892 159.648
33 HB2 PRO 6 HB2 PRO 6 -29.527 36.051 161.631
34 HB3 PRO 6 HB3 PRO 6 -29.428 37.817 161.725
35 HG2 PRO 6 HG2 PRO 6 -31.761 36.344 161.588
36 HG3 PRO 6 HG3 PRO 6 -31.606 38.070 161.228
37 HD2 PRO 6 HD2 PRO 6 -31.833 35.767 159.346
38 HD3 PRO 6 HD3 PRO 6 -32.370 37.451 159.146
39 H LEU 7 H LEU 7 -28.875 35.782 157.540
40 HA LEU 7 HA LEU 7 -28.165 33.237 158.175
41 HB2 LEU 7 HB2 LEU 7 -28.297 34.535 155.856
42 HB3 LEU 7 HB3 LEU 7 -26.542 34.538 156.038
43 HG LEU 7 HG LEU 7 -28.336 32.094 156.129
44 HD11 LEU 7 HD11 LEU 7 -26.136 32.615 154.147
45 HD12 LEU 7 HD12 LEU 7 -27.731 33.324 153.891
46 HD13 LEU 7 HD13 LEU 7 -27.549 31.572 153.989
47 HD21 LEU 7 HD21 LEU 7 -26.536 31.637 157.600
48 HD22 LEU 7 HD22 LEU 7 -25.384 32.521 156.601
49 HD23 LEU 7 HD23 LEU 7 -26.006 30.962 156.059
50 H LYS 8 H LYS 8 -25.687 35.702 157.438
51 HA LYS 8 HA LYS 8 -23.684 34.153 158.865
52 HB2 LYS 8 HB2 LYS 8 -23.270 35.412 156.691
53 HB3 LYS 8 HB3 LYS 8 -23.341 36.893 157.646
54 HG2 LYS 8 HG2 LYS 8 -21.120 36.552 157.968
55 HG3 LYS 8 HG3 LYS 8 -21.640 35.348 159.148
56 HD2 LYS 8 HD2 LYS 8 -21.656 33.641 157.303
57 HD3 LYS 8 HD3 LYS 8 -20.949 34.858 156.238
58 HE2 LYS 8 HE2 LYS 8 -19.727 33.884 158.838
59 HE3 LYS 8 HE3 LYS 8 -19.206 33.403 157.223
60 HZ1 LYS 8 HZ1 LYS 8 -18.559 35.611 156.731
61 HZ2 LYS 8 HZ2 LYS 8 -17.900 35.243 158.253
62 HZ3 LYS 8 HZ3 LYS 8 -19.284 36.222 158.137
63 HN1 NH2 9 HN1 NH2 9 -23.824 37.827 160.521
64 HN2 NH2 9 HN2 NH2 9 -22.541 37.151 159.640
Start of MODEL 14
1 H1 ACE 1 H1 ACE 1 -33.151 47.495 152.708
2 H2 ACE 1 H2 ACE 1 -34.760 46.989 153.227
3 H3 ACE 1 H3 ACE 1 -34.420 47.228 151.514
4 HA PRO 2 HA PRO 2 -33.980 42.684 153.146
5 HB2 PRO 2 HB2 PRO 2 -35.564 41.978 150.847
6 HB3 PRO 2 HB3 PRO 2 -35.971 41.783 152.558
7 HG2 PRO 2 HG2 PRO 2 -36.821 43.838 150.665
8 HG3 PRO 2 HG3 PRO 2 -37.533 43.365 152.214
9 HD2 PRO 2 HD2 PRO 2 -36.212 45.734 151.836
10 HD3 PRO 2 HD3 PRO 2 -36.289 44.904 153.407
11 H THR 3 H THR 3 -31.921 42.231 152.550
12 HA THR 3 HA THR 3 -31.374 41.904 149.671
13 HB THR 3 HB THR 3 -29.019 42.761 150.207
14 HG1 THR 3 HG1 THR 3 -29.731 44.451 152.074
15 HG21 THR 3 HG21 THR 3 -30.202 45.228 150.424
16 HG22 THR 3 HG22 THR 3 -31.529 44.245 149.804
17 HG23 THR 3 HG23 THR 3 -30.009 44.339 148.913
18 H THR 4 H THR 4 -28.745 41.655 151.830
19 HA THR 4 HA THR 4 -28.657 38.765 151.430
20 HB THR 4 HB THR 4 -26.560 39.718 151.029
21 HG1 THR 4 HG1 THR 4 -26.478 38.015 152.589
22 HG21 THR 4 HG21 THR 4 -27.123 41.435 153.454
23 HG22 THR 4 HG22 THR 4 -26.950 41.962 151.780
24 HG23 THR 4 HG23 THR 4 -25.546 41.369 152.668
25 H THR 5 H THR 5 -28.754 37.247 153.039
26 HA THR 5 HA THR 5 -28.841 38.016 155.831
27 HB THR 5 HB THR 5 -31.293 36.705 154.651
28 HG1 THR 5 HG1 THR 5 -31.866 39.092 155.513
29 HG21 THR 5 HG21 THR 5 -32.037 36.587 156.786
30 HG22 THR 5 HG22 THR 5 -31.437 38.199 157.174
31 HG23 THR 5 HG23 THR 5 -30.347 36.814 157.237
32 HA PRO 6 HA PRO 6 -27.338 33.734 154.917
33 HB2 PRO 6 HB2 PRO 6 -24.923 34.371 156.354
34 HB3 PRO 6 HB3 PRO 6 -25.113 34.030 154.628
35 HG2 PRO 6 HG2 PRO 6 -24.435 36.477 155.717
36 HG3 PRO 6 HG3 PRO 6 -25.069 36.213 154.086
37 HD2 PRO 6 HD2 PRO 6 -26.477 37.230 156.510
38 HD3 PRO 6 HD3 PRO 6 -26.775 37.588 154.793
39 H LEU 7 H LEU 7 -25.924 32.395 156.784
40 HA LEU 7 HA LEU 7 -27.801 32.139 158.950
41 HB2 LEU 7 HB2 LEU 7 -26.495 30.252 157.805
42 HB3 LEU 7 HB3 LEU 7 -25.117 30.779 158.771
43 HG LEU 7 HG LEU 7 -27.032 30.680 160.691
44 HD11 LEU 7 HD11 LEU 7 -28.521 28.866 160.368
45 HD12 LEU 7 HD12 LEU 7 -27.633 28.280 158.961
46 HD13 LEU 7 HD13 LEU 7 -28.588 29.759 158.848
47 HD21 LEU 7 HD21 LEU 7 -26.120 28.275 161.066
48 HD22 LEU 7 HD22 LEU 7 -24.961 29.606 161.060
49 HD23 LEU 7 HD23 LEU 7 -25.138 28.582 159.634
50 H LYS 8 H LYS 8 -27.479 34.377 159.749
51 HA LYS 8 HA LYS 8 -25.563 34.367 161.933
52 HB2 LYS 8 HB2 LYS 8 -25.445 36.419 159.715
53 HB3 LYS 8 HB3 LYS 8 -24.678 36.632 161.289
54 HG2 LYS 8 HG2 LYS 8 -23.535 34.372 160.858
55 HG3 LYS 8 HG3 LYS 8 -24.068 34.550 159.186
56 HD2 LYS 8 HD2 LYS 8 -22.886 36.696 159.016
57 HD3 LYS 8 HD3 LYS 8 -22.384 36.567 160.702
58 HE2 LYS 8 HE2 LYS 8 -20.886 34.837 160.265
59 HE3 LYS 8 HE3 LYS 8 -21.741 34.329 158.809
60 HZ1 LYS 8 HZ1 LYS 8 -20.371 36.944 159.013
61 HZ2 LYS 8 HZ2 LYS 8 -20.914 36.152 157.612
62 HZ3 LYS 8 HZ3 LYS 8 -19.578 35.546 158.470
63 HN1 NH2 9 HN1 NH2 9 -28.426 36.034 160.380
64 HN2 NH2 9 HN2 NH2 9 -28.174 37.418 161.331
Start of MODEL 15
1 H1 ACE 1 H1 ACE 1 -35.399 42.047 146.674
2 H2 ACE 1 H2 ACE 1 -35.312 40.296 146.870
3 H3 ACE 1 H3 ACE 1 -33.939 41.178 146.202
4 HA PRO 2 HA PRO 2 -33.792 40.324 150.974
5 HB2 PRO 2 HB2 PRO 2 -31.104 39.422 150.469
6 HB3 PRO 2 HB3 PRO 2 -32.476 38.486 151.077
7 HG2 PRO 2 HG2 PRO 2 -31.359 38.615 148.382
8 HG3 PRO 2 HG3 PRO 2 -32.413 37.395 149.112
9 HD2 PRO 2 HD2 PRO 2 -33.264 39.147 147.187
10 HD3 PRO 2 HD3 PRO 2 -34.345 38.455 148.418
11 H THR 3 H THR 3 -33.359 42.189 151.994
12 HA THR 3 HA THR 3 -31.304 43.988 150.910
13 HB THR 3 HB THR 3 -33.171 45.291 151.271
14 HG1 THR 3 HG1 THR 3 -32.896 46.287 153.379
15 HG21 THR 3 HG21 THR 3 -33.741 43.417 153.568
16 HG22 THR 3 HG22 THR 3 -34.691 43.667 152.104
17 HG23 THR 3 HG23 THR 3 -34.636 44.920 153.345
18 H THR 4 H THR 4 -32.169 42.182 153.810
19 HA THR 4 HA THR 4 -29.407 42.368 154.732
20 HB THR 4 HB THR 4 -31.067 42.824 157.021
21 HG1 THR 4 HG1 THR 4 -31.843 44.872 156.434
22 HG21 THR 4 HG21 THR 4 -28.672 43.320 156.864
23 HG22 THR 4 HG22 THR 4 -29.571 44.787 157.251
24 HG23 THR 4 HG23 THR 4 -28.988 44.517 155.609
25 H THR 5 H THR 5 -28.959 40.256 154.871
26 HA THR 5 HA THR 5 -30.430 38.622 156.756
27 HB THR 5 HB THR 5 -30.241 37.694 153.884
28 HG1 THR 5 HG1 THR 5 -32.009 39.319 155.118
29 HG21 THR 5 HG21 THR 5 -30.885 35.694 154.687
30 HG22 THR 5 HG22 THR 5 -32.202 36.429 155.600
31 HG23 THR 5 HG23 THR 5 -30.591 36.320 156.308
32 HA PRO 6 HA PRO 6 -25.908 37.725 156.341
33 HB2 PRO 6 HB2 PRO 6 -25.653 38.149 159.180
34 HB3 PRO 6 HB3 PRO 6 -24.974 39.117 157.863
35 HG2 PRO 6 HG2 PRO 6 -26.963 39.935 159.596
36 HG3 PRO 6 HG3 PRO 6 -26.594 40.669 158.029
37 HD2 PRO 6 HD2 PRO 6 -28.814 38.817 158.763
38 HD3 PRO 6 HD3 PRO 6 -28.766 40.094 157.526
39 H LEU 7 H LEU 7 -25.824 35.550 156.117
40 HA LEU 7 HA LEU 7 -27.061 33.787 158.072
41 HB2 LEU 7 HB2 LEU 7 -27.064 33.400 155.551
42 HB3 LEU 7 HB3 LEU 7 -25.360 32.975 155.714
43 HG LEU 7 HG LEU 7 -26.333 31.443 157.683
44 HD11 LEU 7 HD11 LEU 7 -28.506 30.536 157.123
45 HD12 LEU 7 HD12 LEU 7 -28.582 31.505 155.651
46 HD13 LEU 7 HD13 LEU 7 -28.664 32.289 157.229
47 HD21 LEU 7 HD21 LEU 7 -26.088 30.973 154.726
48 HD22 LEU 7 HD22 LEU 7 -26.679 29.672 155.759
49 HD23 LEU 7 HD23 LEU 7 -25.079 30.361 156.037
50 H LYS 8 H LYS 8 -26.039 33.079 159.822
51 HA LYS 8 HA LYS 8 -24.370 32.516 161.297
52 HB2 LYS 8 HB2 LYS 8 -23.649 31.389 158.737
53 HB3 LYS 8 HB3 LYS 8 -22.202 31.835 159.643
54 HG2 LYS 8 HG2 LYS 8 -24.489 30.226 160.811
55 HG3 LYS 8 HG3 LYS 8 -23.029 29.506 160.129
56 HD2 LYS 8 HD2 LYS 8 -22.315 31.611 161.973
57 HD3 LYS 8 HD3 LYS 8 -23.390 30.458 162.765
58 HE2 LYS 8 HE2 LYS 8 -20.889 29.716 161.217
59 HE3 LYS 8 HE3 LYS 8 -21.000 29.801 162.975
60 HZ1 LYS 8 HZ1 LYS 8 -22.880 28.171 162.774
61 HZ2 LYS 8 HZ2 LYS 8 -21.340 27.561 162.393
62 HZ3 LYS 8 HZ3 LYS 8 -22.431 27.957 161.153
63 HN1 NH2 9 HN1 NH2 9 -21.812 33.582 161.982
64 HN2 NH2 9 HN2 NH2 9 -21.059 33.861 160.487
Start of MODEL 16
1 H1 ACE 1 H1 ACE 1 -34.266 43.083 145.791
2 H2 ACE 1 H2 ACE 1 -32.915 44.211 145.675
3 H3 ACE 1 H3 ACE 1 -34.224 44.518 146.816
4 HA PRO 2 HA PRO 2 -30.347 42.221 148.605
5 HB2 PRO 2 HB2 PRO 2 -30.507 44.150 150.737
6 HB3 PRO 2 HB3 PRO 2 -29.201 43.919 149.565
7 HG2 PRO 2 HG2 PRO 2 -31.342 45.905 149.598
8 HG3 PRO 2 HG3 PRO 2 -29.805 45.914 148.720
9 HD2 PRO 2 HD2 PRO 2 -32.227 45.570 147.490
10 HD3 PRO 2 HD3 PRO 2 -30.711 44.892 146.857
11 H THR 3 H THR 3 -30.454 40.860 150.416
12 HA THR 3 HA THR 3 -33.143 40.437 151.470
13 HB THR 3 HB THR 3 -32.321 38.322 152.251
14 HG1 THR 3 HG1 THR 3 -30.098 37.861 152.146
15 HG21 THR 3 HG21 THR 3 -31.736 37.320 150.199
16 HG22 THR 3 HG22 THR 3 -30.841 38.741 149.660
17 HG23 THR 3 HG23 THR 3 -32.604 38.778 149.717
18 H THR 4 H THR 4 -32.277 39.188 153.912
19 HA THR 4 HA THR 4 -31.007 41.299 155.476
20 HB THR 4 HB THR 4 -33.004 42.217 156.014
21 HG1 THR 4 HG1 THR 4 -33.720 39.877 157.363
22 HG21 THR 4 HG21 THR 4 -35.175 40.989 155.680
23 HG22 THR 4 HG22 THR 4 -34.242 39.608 155.104
24 HG23 THR 4 HG23 THR 4 -34.201 41.132 154.216
25 H THR 5 H THR 5 -30.886 40.605 157.839
26 HA THR 5 HA THR 5 -29.975 39.095 159.319
27 HB THR 5 HB THR 5 -31.289 36.936 159.485
28 HG1 THR 5 HG1 THR 5 -32.999 38.128 157.598
29 HG21 THR 5 HG21 THR 5 -32.732 39.596 159.421
30 HG22 THR 5 HG22 THR 5 -31.956 38.838 160.811
31 HG23 THR 5 HG23 THR 5 -33.416 38.129 160.120
32 HA PRO 6 HA PRO 6 -27.796 37.153 155.470
33 HB2 PRO 6 HB2 PRO 6 -25.388 38.234 156.623
34 HB3 PRO 6 HB3 PRO 6 -26.147 38.654 155.080
35 HG2 PRO 6 HG2 PRO 6 -26.239 40.055 157.642
36 HG3 PRO 6 HG3 PRO 6 -26.600 40.649 156.015
37 HD2 PRO 6 HD2 PRO 6 -28.526 40.232 157.916
38 HD3 PRO 6 HD3 PRO 6 -28.841 40.110 156.170
39 H LEU 7 H LEU 7 -25.872 35.642 155.671
40 HA LEU 7 HA LEU 7 -26.144 34.104 158.156
41 HB2 LEU 7 HB2 LEU 7 -24.898 33.402 155.487
42 HB3 LEU 7 HB3 LEU 7 -24.988 32.315 156.873
43 HG LEU 7 HG LEU 7 -27.522 33.616 155.995
44 HD11 LEU 7 HD11 LEU 7 -27.848 31.762 154.323
45 HD12 LEU 7 HD12 LEU 7 -26.137 31.372 154.499
46 HD13 LEU 7 HD13 LEU 7 -26.622 32.938 153.849
47 HD21 LEU 7 HD21 LEU 7 -26.817 30.797 156.871
48 HD22 LEU 7 HD22 LEU 7 -28.441 31.465 156.711
49 HD23 LEU 7 HD23 LEU 7 -27.354 32.079 157.957
50 H LYS 8 H LYS 8 -24.333 33.387 159.339
51 HA LYS 8 HA LYS 8 -22.126 35.279 159.345
52 HB2 LYS 8 HB2 LYS 8 -21.545 33.362 161.245
53 HB3 LYS 8 HB3 LYS 8 -22.428 34.860 161.540
54 HG2 LYS 8 HG2 LYS 8 -24.552 33.755 161.183
55 HG3 LYS 8 HG3 LYS 8 -23.743 32.273 160.669
56 HD2 LYS 8 HD2 LYS 8 -22.653 32.194 162.956
57 HD3 LYS 8 HD3 LYS 8 -23.728 33.509 163.433
58 HE2 LYS 8 HE2 LYS 8 -24.815 31.482 164.102
59 HE3 LYS 8 HE3 LYS 8 -25.664 32.046 162.663
60 HZ1 LYS 8 HZ1 LYS 8 -23.469 30.049 162.633
61 HZ2 LYS 8 HZ2 LYS 8 -24.444 30.513 161.322
62 HZ3 LYS 8 HZ3 LYS 8 -25.117 29.652 162.622
63 HN1 NH2 9 HN1 NH2 9 -20.631 31.520 158.663
64 HN2 NH2 9 HN2 NH2 9 -21.957 31.700 159.708
Start of MODEL 17
1 H1 ACE 1 H1 ACE 1 -33.413 36.184 152.169
2 H2 ACE 1 H2 ACE 1 -33.264 35.883 150.438
3 H3 ACE 1 H3 ACE 1 -34.731 36.621 151.081
4 HA PRO 2 HA PRO 2 -33.448 40.777 150.611
5 HB2 PRO 2 HB2 PRO 2 -33.073 41.451 153.386
6 HB3 PRO 2 HB3 PRO 2 -34.443 41.849 152.339
7 HG2 PRO 2 HG2 PRO 2 -34.185 39.744 154.345
8 HG3 PRO 2 HG3 PRO 2 -35.640 40.438 153.615
9 HD2 PRO 2 HD2 PRO 2 -34.754 37.904 153.069
10 HD3 PRO 2 HD3 PRO 2 -35.690 38.878 151.912
11 H THR 3 H THR 3 -31.623 42.283 150.930
12 HA THR 3 HA THR 3 -29.115 40.903 150.929
13 HB THR 3 HB THR 3 -29.471 42.860 149.510
14 HG1 THR 3 HG1 THR 3 -27.622 44.112 150.386
15 HG21 THR 3 HG21 THR 3 -29.659 44.410 152.108
16 HG22 THR 3 HG22 THR 3 -31.024 44.040 151.053
17 HG23 THR 3 HG23 THR 3 -29.726 45.088 150.482
18 H THR 4 H THR 4 -31.072 41.942 153.417
19 HA THR 4 HA THR 4 -28.917 42.716 155.227
20 HB THR 4 HB THR 4 -31.915 42.589 155.442
21 HG1 THR 4 HG1 THR 4 -30.949 44.453 154.604
22 HG21 THR 4 HG21 THR 4 -31.373 41.753 157.561
23 HG22 THR 4 HG22 THR 4 -31.405 43.494 157.838
24 HG23 THR 4 HG23 THR 4 -29.864 42.661 157.639
25 H THR 5 H THR 5 -28.047 41.444 156.775
26 HA THR 5 HA THR 5 -27.427 39.497 157.832
27 HB THR 5 HB THR 5 -30.367 38.824 157.857
28 HG1 THR 5 HG1 THR 5 -28.987 40.559 159.619
29 HG21 THR 5 HG21 THR 5 -28.244 37.475 158.868
30 HG22 THR 5 HG22 THR 5 -29.843 37.457 159.610
31 HG23 THR 5 HG23 THR 5 -28.599 38.549 160.221
32 HA PRO 6 HA PRO 6 -27.946 36.984 153.980
33 HB2 PRO 6 HB2 PRO 6 -25.074 36.918 153.743
34 HB3 PRO 6 HB3 PRO 6 -26.244 37.704 152.673
35 HG2 PRO 6 HG2 PRO 6 -24.423 39.004 154.292
36 HG3 PRO 6 HG3 PRO 6 -25.873 39.727 153.582
37 HD2 PRO 6 HD2 PRO 6 -25.408 38.803 156.378
38 HD3 PRO 6 HD3 PRO 6 -26.458 40.105 155.777
39 H LEU 7 H LEU 7 -28.574 35.115 155.038
40 HA LEU 7 HA LEU 7 -28.398 33.139 156.222
41 HB2 LEU 7 HB2 LEU 7 -25.927 33.201 154.496
42 HB3 LEU 7 HB3 LEU 7 -26.329 31.806 155.498
43 HG LEU 7 HG LEU 7 -28.515 31.619 154.387
44 HD11 LEU 7 HD11 LEU 7 -27.563 34.146 153.063
45 HD12 LEU 7 HD12 LEU 7 -29.136 33.793 153.777
46 HD13 LEU 7 HD13 LEU 7 -28.693 33.084 152.224
47 HD21 LEU 7 HD21 LEU 7 -26.758 31.871 152.020
48 HD22 LEU 7 HD22 LEU 7 -27.637 30.467 152.624
49 HD23 LEU 7 HD23 LEU 7 -26.089 30.913 153.341
50 H LYS 8 H LYS 8 -27.655 35.325 157.793
51 HA LYS 8 HA LYS 8 -26.597 35.825 159.768
52 HB2 LYS 8 HB2 LYS 8 -27.324 33.338 160.106
53 HB3 LYS 8 HB3 LYS 8 -25.602 32.998 159.927
54 HG2 LYS 8 HG2 LYS 8 -25.377 34.995 161.667
55 HG3 LYS 8 HG3 LYS 8 -27.021 34.509 162.084
56 HD2 LYS 8 HD2 LYS 8 -26.133 32.121 162.246
57 HD3 LYS 8 HD3 LYS 8 -24.514 32.819 162.168
58 HE2 LYS 8 HE2 LYS 8 -25.076 32.565 164.502
59 HE3 LYS 8 HE3 LYS 8 -25.147 34.287 164.125
60 HZ1 LYS 8 HZ1 LYS 8 -27.628 32.923 163.656
61 HZ2 LYS 8 HZ2 LYS 8 -27.321 34.350 164.527
62 HZ3 LYS 8 HZ3 LYS 8 -27.131 32.836 165.275
63 HN1 NH2 9 HN1 NH2 9 -23.701 33.811 159.972
64 HN2 NH2 9 HN2 NH2 9 -23.232 35.410 160.295
Start of MODEL 18
1 H1 ACE 1 H1 ACE 1 -38.301 43.678 149.456
2 H2 ACE 1 H2 ACE 1 -37.553 43.680 147.858
3 H3 ACE 1 H3 ACE 1 -37.158 44.949 149.018
4 HA PRO 2 HA PRO 2 -34.125 41.169 148.904
5 HB2 PRO 2 HB2 PRO 2 -32.051 43.167 148.821
6 HB3 PRO 2 HB3 PRO 2 -32.454 41.955 147.595
7 HG2 PRO 2 HG2 PRO 2 -33.135 44.793 147.700
8 HG3 PRO 2 HG3 PRO 2 -33.133 43.681 146.324
9 HD2 PRO 2 HD2 PRO 2 -35.429 44.661 147.453
10 HD3 PRO 2 HD3 PRO 2 -35.345 43.086 146.632
11 H THR 3 H THR 3 -32.361 40.849 150.527
12 HA THR 3 HA THR 3 -32.380 42.664 152.813
13 HB THR 3 HB THR 3 -32.696 40.254 154.098
14 HG1 THR 3 HG1 THR 3 -34.091 40.286 151.681
15 HG21 THR 3 HG21 THR 3 -34.985 41.132 154.616
16 HG22 THR 3 HG22 THR 3 -34.750 42.356 153.368
17 HG23 THR 3 HG23 THR 3 -33.714 42.343 154.795
18 H THR 4 H THR 4 -30.269 42.979 153.114
19 HA THR 4 HA THR 4 -28.355 40.850 152.542
20 HB THR 4 HB THR 4 -27.993 43.738 153.371
21 HG1 THR 4 HG1 THR 4 -28.025 44.058 151.312
22 HG21 THR 4 HG21 THR 4 -26.065 41.476 152.980
23 HG22 THR 4 HG22 THR 4 -26.045 42.765 154.184
24 HG23 THR 4 HG23 THR 4 -25.581 43.107 152.517
25 H THR 5 H THR 5 -28.840 39.388 154.234
26 HA THR 5 HA THR 5 -27.470 40.004 156.714
27 HB THR 5 HB THR 5 -29.461 39.285 158.096
28 HG1 THR 5 HG1 THR 5 -30.963 40.020 155.831
29 HG21 THR 5 HG21 THR 5 -30.023 41.796 156.522
30 HG22 THR 5 HG22 THR 5 -28.672 41.692 157.649
31 HG23 THR 5 HG23 THR 5 -30.324 41.488 158.232
32 HA PRO 6 HA PRO 6 -27.279 35.601 155.301
33 HB2 PRO 6 HB2 PRO 6 -24.405 35.782 155.411
34 HB3 PRO 6 HB3 PRO 6 -25.436 35.571 153.988
35 HG2 PRO 6 HG2 PRO 6 -23.943 37.821 154.570
36 HG3 PRO 6 HG3 PRO 6 -25.302 37.746 153.439
37 HD2 PRO 6 HD2 PRO 6 -25.223 38.832 156.215
38 HD3 PRO 6 HD3 PRO 6 -26.231 39.324 154.835
39 H LEU 7 H LEU 7 -27.497 34.127 156.877
40 HA LEU 7 HA LEU 7 -26.327 34.625 159.505
41 HB2 LEU 7 HB2 LEU 7 -28.576 33.074 158.434
42 HB3 LEU 7 HB3 LEU 7 -27.664 32.228 159.686
43 HG LEU 7 HG LEU 7 -29.528 33.648 160.592
44 HD11 LEU 7 HD11 LEU 7 -27.335 35.103 161.760
45 HD12 LEU 7 HD12 LEU 7 -26.832 33.441 161.447
46 HD13 LEU 7 HD13 LEU 7 -28.252 33.761 162.442
47 HD21 LEU 7 HD21 LEU 7 -29.708 35.863 160.097
48 HD22 LEU 7 HD22 LEU 7 -28.665 35.478 158.728
49 HD23 LEU 7 HD23 LEU 7 -27.968 36.122 160.213
50 H LYS 8 H LYS 8 -25.799 32.276 160.584
51 HA LYS 8 HA LYS 8 -23.397 31.424 159.185
52 HB2 LYS 8 HB2 LYS 8 -24.450 30.318 161.787
53 HB3 LYS 8 HB3 LYS 8 -22.783 30.357 161.209
54 HG2 LYS 8 HG2 LYS 8 -23.108 32.946 161.184
55 HG3 LYS 8 HG3 LYS 8 -24.468 32.620 162.259
56 HD2 LYS 8 HD2 LYS 8 -22.838 32.786 163.864
57 HD3 LYS 8 HD3 LYS 8 -22.600 31.088 163.453
58 HE2 LYS 8 HE2 LYS 8 -20.977 32.002 161.628
59 HE3 LYS 8 HE3 LYS 8 -20.983 33.478 162.593
60 HZ1 LYS 8 HZ1 LYS 8 -20.529 30.883 163.899
61 HZ2 LYS 8 HZ2 LYS 8 -20.013 32.430 164.373
62 HZ3 LYS 8 HZ3 LYS 8 -19.252 31.638 163.078
63 HN1 NH2 9 HN1 NH2 9 -23.495 29.458 157.748
64 HN2 NH2 9 HN2 NH2 9 -23.917 28.080 158.646
Start of MODEL 19
1 H1 ACE 1 H1 ACE 1 -33.259 44.614 145.870
2 H2 ACE 1 H2 ACE 1 -34.654 44.848 146.924
3 H3 ACE 1 H3 ACE 1 -34.438 43.317 146.073
4 HA PRO 2 HA PRO 2 -30.582 43.368 149.100
5 HB2 PRO 2 HB2 PRO 2 -31.130 45.476 150.985
6 HB3 PRO 2 HB3 PRO 2 -29.745 45.315 149.894
7 HG2 PRO 2 HG2 PRO 2 -32.150 46.950 149.621
8 HG3 PRO 2 HG3 PRO 2 -30.588 47.090 148.801
9 HD2 PRO 2 HD2 PRO 2 -32.870 46.254 147.539
10 HD3 PRO 2 HD3 PRO 2 -31.241 45.745 147.040
11 H THR 3 H THR 3 -30.756 41.901 150.719
12 HA THR 3 HA THR 3 -32.681 42.113 152.835
13 HB THR 3 HB THR 3 -34.168 41.338 151.027
14 HG1 THR 3 HG1 THR 3 -34.107 40.472 153.326
15 HG21 THR 3 HG21 THR 3 -32.993 38.664 150.848
16 HG22 THR 3 HG22 THR 3 -31.945 39.918 150.185
17 HG23 THR 3 HG23 THR 3 -33.585 39.719 149.564
18 H THR 4 H THR 4 -30.473 41.958 153.763
19 HA THR 4 HA THR 4 -29.227 39.321 153.667
20 HB THR 4 HB THR 4 -28.464 41.877 155.096
21 HG1 THR 4 HG1 THR 4 -28.066 40.859 152.629
22 HG21 THR 4 HG21 THR 4 -27.499 39.097 155.331
23 HG22 THR 4 HG22 THR 4 -27.327 40.449 156.451
24 HG23 THR 4 HG23 THR 4 -26.235 40.301 155.075
25 H THR 5 H THR 5 -30.367 37.843 154.807
26 HA THR 5 HA THR 5 -31.616 38.514 157.335
27 HB THR 5 HB THR 5 -32.837 36.656 156.979
28 HG1 THR 5 HG1 THR 5 -31.891 34.674 156.775
29 HG21 THR 5 HG21 THR 5 -31.271 36.356 154.409
30 HG22 THR 5 HG22 THR 5 -32.497 37.600 154.649
31 HG23 THR 5 HG23 THR 5 -32.947 35.895 154.706
32 HA PRO 6 HA PRO 6 -28.520 36.997 160.061
33 HB2 PRO 6 HB2 PRO 6 -30.117 35.082 161.505
34 HB3 PRO 6 HB3 PRO 6 -29.722 36.745 161.962
35 HG2 PRO 6 HG2 PRO 6 -32.230 35.824 161.261
36 HG3 PRO 6 HG3 PRO 6 -31.720 37.518 161.273
37 HD2 PRO 6 HD2 PRO 6 -32.058 35.673 158.956
38 HD3 PRO 6 HD3 PRO 6 -32.251 37.439 159.035
39 H LEU 7 H LEU 7 -26.966 35.833 158.998
40 HA LEU 7 HA LEU 7 -27.261 32.904 159.024
41 HB2 LEU 7 HB2 LEU 7 -27.732 33.963 156.717
42 HB3 LEU 7 HB3 LEU 7 -26.001 34.303 156.676
43 HG LEU 7 HG LEU 7 -25.875 31.733 157.418
44 HD11 LEU 7 HD11 LEU 7 -28.455 31.709 157.358
45 HD12 LEU 7 HD12 LEU 7 -27.620 30.397 156.527
46 HD13 LEU 7 HD13 LEU 7 -28.289 31.741 155.602
47 HD21 LEU 7 HD21 LEU 7 -26.179 32.957 154.677
48 HD22 LEU 7 HD22 LEU 7 -25.853 31.234 154.866
49 HD23 LEU 7 HD23 LEU 7 -24.706 32.421 155.486
50 H LYS 8 H LYS 8 -24.849 35.280 157.891
51 HA LYS 8 HA LYS 8 -23.015 34.538 160.018
52 HB2 LYS 8 HB2 LYS 8 -22.802 32.810 158.116
53 HB3 LYS 8 HB3 LYS 8 -22.076 34.123 157.187
54 HG2 LYS 8 HG2 LYS 8 -20.165 33.291 158.169
55 HG3 LYS 8 HG3 LYS 8 -20.657 34.408 159.442
56 HD2 LYS 8 HD2 LYS 8 -21.849 32.564 160.588
57 HD3 LYS 8 HD3 LYS 8 -21.317 31.449 159.327
58 HE2 LYS 8 HE2 LYS 8 -19.070 32.951 160.377
59 HE3 LYS 8 HE3 LYS 8 -19.925 32.118 161.676
60 HZ1 LYS 8 HZ1 LYS 8 -18.677 30.395 161.001
61 HZ2 LYS 8 HZ2 LYS 8 -18.423 31.029 159.446
62 HZ3 LYS 8 HZ3 LYS 8 -19.874 30.223 159.810
63 HN1 NH2 9 HN1 NH2 9 -22.283 35.900 156.763
64 HN2 NH2 9 HN2 NH2 9 -22.270 37.515 157.285
Start of MODEL 20
1 H1 ACE 1 H1 ACE 1 -34.370 39.077 148.311
2 H2 ACE 1 H2 ACE 1 -35.735 39.504 149.344
3 H3 ACE 1 H3 ACE 1 -34.141 39.242 150.052
4 HA PRO 2 HA PRO 2 -35.269 43.844 149.024
5 HB2 PRO 2 HB2 PRO 2 -34.320 44.399 151.686
6 HB3 PRO 2 HB3 PRO 2 -35.954 44.614 151.040
7 HG2 PRO 2 HG2 PRO 2 -34.878 42.468 152.700
8 HG3 PRO 2 HG3 PRO 2 -36.559 42.939 152.410
9 HD2 PRO 2 HD2 PRO 2 -35.457 40.639 151.410
10 HD3 PRO 2 HD3 PRO 2 -36.792 41.504 150.615
11 H THR 3 H THR 3 -32.667 42.734 151.214
12 HA THR 3 HA THR 3 -30.676 43.801 149.333
13 HB THR 3 HB THR 3 -29.470 44.935 151.131
14 HG1 THR 3 HG1 THR 3 -30.025 43.802 152.914
15 HG21 THR 3 HG21 THR 3 -30.820 46.830 151.198
16 HG22 THR 3 HG22 THR 3 -32.298 45.892 151.417
17 HG23 THR 3 HG23 THR 3 -31.520 45.955 149.835
18 H THR 4 H THR 4 -30.523 42.586 152.675
19 HA THR 4 HA THR 4 -29.334 40.081 151.769
20 HB THR 4 HB THR 4 -27.412 41.626 151.889
21 HG1 THR 4 HG1 THR 4 -26.237 40.166 152.894
22 HG21 THR 4 HG21 THR 4 -28.065 41.875 154.832
23 HG22 THR 4 HG22 THR 4 -28.504 43.100 153.642
24 HG23 THR 4 HG23 THR 4 -26.806 42.723 153.934
25 H THR 5 H THR 5 -28.429 39.029 154.048
26 HA THR 5 HA THR 5 -30.245 39.525 156.253
27 HB THR 5 HB THR 5 -31.061 37.125 156.221
28 HG1 THR 5 HG1 THR 5 -29.473 36.467 154.650
29 HG21 THR 5 HG21 THR 5 -32.923 37.660 154.863
30 HG22 THR 5 HG22 THR 5 -31.953 38.665 153.787
31 HG23 THR 5 HG23 THR 5 -32.324 39.222 155.418
32 HA PRO 6 HA PRO 6 -26.879 37.791 158.477
33 HB2 PRO 6 HB2 PRO 6 -28.528 36.732 160.590
34 HB3 PRO 6 HB3 PRO 6 -27.610 38.245 160.570
35 HG2 PRO 6 HG2 PRO 6 -30.364 38.038 160.569
36 HG3 PRO 6 HG3 PRO 6 -29.436 39.468 160.097
37 HD2 PRO 6 HD2 PRO 6 -30.800 37.457 158.370
38 HD3 PRO 6 HD3 PRO 6 -30.495 39.183 158.072
39 H LEU 7 H LEU 7 -25.990 35.779 159.437
40 HA LEU 7 HA LEU 7 -27.353 33.281 159.040
41 HB2 LEU 7 HB2 LEU 7 -26.525 34.087 156.704
42 HB3 LEU 7 HB3 LEU 7 -24.929 33.633 157.301
43 HG LEU 7 HG LEU 7 -26.254 31.423 158.026
44 HD11 LEU 7 HD11 LEU 7 -27.670 32.214 155.475
45 HD12 LEU 7 HD12 LEU 7 -28.386 32.476 157.065
46 HD13 LEU 7 HD13 LEU 7 -28.012 30.840 156.525
47 HD21 LEU 7 HD21 LEU 7 -24.376 31.140 156.657
48 HD22 LEU 7 HD22 LEU 7 -25.004 32.213 155.407
49 HD23 LEU 7 HD23 LEU 7 -25.677 30.594 155.599
50 H LYS 8 H LYS 8 -26.204 31.514 159.911
51 HA LYS 8 HA LYS 8 -24.793 30.496 161.411
52 HB2 LYS 8 HB2 LYS 8 -23.157 31.071 159.572
53 HB3 LYS 8 HB3 LYS 8 -22.739 32.516 160.494
54 HG2 LYS 8 HG2 LYS 8 -22.019 31.180 162.381
55 HG3 LYS 8 HG3 LYS 8 -22.598 29.703 161.612
56 HD2 LYS 8 HD2 LYS 8 -20.157 29.928 161.345
57 HD3 LYS 8 HD3 LYS 8 -20.969 30.016 159.782
58 HE2 LYS 8 HE2 LYS 8 -20.595 32.304 159.562
59 HE3 LYS 8 HE3 LYS 8 -20.452 32.550 161.303
60 HZ1 LYS 8 HZ1 LYS 8 -18.463 30.757 160.370
61 HZ2 LYS 8 HZ2 LYS 8 -18.277 32.232 161.194
62 HZ3 LYS 8 HZ3 LYS 8 -18.397 32.211 159.499
63 HN1 NH2 9 HN1 NH2 9 -25.306 30.883 163.569
64 HN2 NH2 9 HN2 NH2 9 -25.097 32.368 164.363
Start of MODEL 21
1 H1 ACE 1 H1 ACE 1 -33.456 42.990 155.379
2 H2 ACE 1 H2 ACE 1 -31.887 43.107 154.583
3 H3 ACE 1 H3 ACE 1 -32.432 41.562 155.236
4 HA PRO 2 HA PRO 2 -35.698 42.365 151.673
5 HB2 PRO 2 HB2 PRO 2 -34.605 44.527 150.116
6 HB3 PRO 2 HB3 PRO 2 -36.158 44.463 150.961
7 HG2 PRO 2 HG2 PRO 2 -33.657 45.739 151.761
8 HG3 PRO 2 HG3 PRO 2 -35.304 46.018 152.344
9 HD2 PRO 2 HD2 PRO 2 -33.373 44.788 153.848
10 HD3 PRO 2 HD3 PRO 2 -35.110 44.461 154.039
11 H THR 3 H THR 3 -32.252 42.643 151.554
12 HA THR 3 HA THR 3 -32.192 40.818 149.248
13 HB THR 3 HB THR 3 -31.459 42.519 147.955
14 HG1 THR 3 HG1 THR 3 -29.370 42.356 147.893
15 HG21 THR 3 HG21 THR 3 -32.229 44.267 149.386
16 HG22 THR 3 HG22 THR 3 -30.553 44.664 149.001
17 HG23 THR 3 HG23 THR 3 -30.955 43.957 150.566
18 H THR 4 H THR 4 -30.558 42.244 152.027
19 HA THR 4 HA THR 4 -28.466 40.209 151.974
20 HB THR 4 HB THR 4 -27.422 41.448 153.705
21 HG1 THR 4 HG1 THR 4 -30.024 42.155 154.234
22 HG21 THR 4 HG21 THR 4 -27.464 42.569 151.480
23 HG22 THR 4 HG22 THR 4 -27.365 43.719 152.813
24 HG23 THR 4 HG23 THR 4 -28.901 43.458 151.986
25 H THR 5 H THR 5 -28.317 38.499 153.346
26 HA THR 5 HA THR 5 -30.052 38.257 155.655
27 HB THR 5 HB THR 5 -30.609 35.851 154.410
28 HG1 THR 5 HG1 THR 5 -31.128 36.288 152.356
29 HG21 THR 5 HG21 THR 5 -32.136 37.228 155.777
30 HG22 THR 5 HG22 THR 5 -32.896 36.751 154.259
31 HG23 THR 5 HG23 THR 5 -32.269 38.388 154.455
32 HA PRO 6 HA PRO 6 -26.014 36.023 155.909
33 HB2 PRO 6 HB2 PRO 6 -25.514 37.407 158.387
34 HB3 PRO 6 HB3 PRO 6 -24.653 37.568 156.849
35 HG2 PRO 6 HG2 PRO 6 -26.244 39.504 158.009
36 HG3 PRO 6 HG3 PRO 6 -25.757 39.452 156.309
37 HD2 PRO 6 HD2 PRO 6 -28.373 38.720 157.541
38 HD3 PRO 6 HD3 PRO 6 -28.024 39.361 155.919
39 H LEU 7 H LEU 7 -26.271 34.006 156.665
40 HA LEU 7 HA LEU 7 -28.157 33.326 158.698
41 HB2 LEU 7 HB2 LEU 7 -26.136 31.855 157.066
42 HB3 LEU 7 HB3 LEU 7 -26.761 31.077 158.520
43 HG LEU 7 HG LEU 7 -28.699 32.357 156.628
44 HD11 LEU 7 HD11 LEU 7 -27.380 29.653 156.247
45 HD12 LEU 7 HD12 LEU 7 -27.309 31.023 155.139
46 HD13 LEU 7 HD13 LEU 7 -28.835 30.179 155.401
47 HD21 LEU 7 HD21 LEU 7 -29.004 29.713 158.015
48 HD22 LEU 7 HD22 LEU 7 -30.229 30.928 157.649
49 HD23 LEU 7 HD23 LEU 7 -29.095 31.191 158.974
50 H LYS 8 H LYS 8 -24.758 34.082 158.670
51 HA LYS 8 HA LYS 8 -24.295 33.031 161.340
52 HB2 LYS 8 HB2 LYS 8 -22.562 33.093 159.469
53 HB3 LYS 8 HB3 LYS 8 -22.462 34.831 159.755
54 HG2 LYS 8 HG2 LYS 8 -20.912 34.297 161.322
55 HG3 LYS 8 HG3 LYS 8 -22.290 33.808 162.310
56 HD2 LYS 8 HD2 LYS 8 -22.119 31.513 161.329
57 HD3 LYS 8 HD3 LYS 8 -20.658 32.023 160.481
58 HE2 LYS 8 HE2 LYS 8 -19.522 31.400 162.331
59 HE3 LYS 8 HE3 LYS 8 -20.208 32.826 163.109
60 HZ1 LYS 8 HZ1 LYS 8 -21.951 31.579 164.008
61 HZ2 LYS 8 HZ2 LYS 8 -20.575 30.611 164.244
62 HZ3 LYS 8 HZ3 LYS 8 -21.663 30.254 162.990
63 HN1 NH2 9 HN1 NH2 9 -24.367 36.965 160.647
64 HN2 NH2 9 HN2 NH2 9 -25.881 36.198 160.619
Start of MODEL 22
1 H1 ACE 1 H1 ACE 1 -35.090 42.617 149.264
2 H2 ACE 1 H2 ACE 1 -34.989 44.355 149.546
3 H3 ACE 1 H3 ACE 1 -34.890 43.235 150.904
4 HA PRO 2 HA PRO 2 -30.654 44.695 149.054
5 HB2 PRO 2 HB2 PRO 2 -29.918 45.178 151.797
6 HB3 PRO 2 HB3 PRO 2 -30.072 46.352 150.481
7 HG2 PRO 2 HG2 PRO 2 -31.934 45.723 152.641
8 HG3 PRO 2 HG3 PRO 2 -31.851 47.152 151.600
9 HD2 PRO 2 HD2 PRO 2 -33.837 45.274 151.408
10 HD3 PRO 2 HD3 PRO 2 -33.289 46.255 150.029
11 H THR 3 H THR 3 -30.955 43.318 152.337
12 HA THR 3 HA THR 3 -29.040 41.218 151.579
13 HB THR 3 HB THR 3 -28.582 42.588 153.611
14 HG1 THR 3 HG1 THR 3 -29.019 40.243 154.839
15 HG21 THR 3 HG21 THR 3 -30.582 41.196 155.238
16 HG22 THR 3 HG22 THR 3 -31.296 42.298 154.061
17 HG23 THR 3 HG23 THR 3 -30.125 42.899 155.234
18 H THR 4 H THR 4 -29.756 39.373 153.590
19 HA THR 4 HA THR 4 -32.529 38.610 153.095
20 HB THR 4 HB THR 4 -31.874 36.355 152.283
21 HG1 THR 4 HG1 THR 4 -29.586 36.491 151.379
22 HG21 THR 4 HG21 THR 4 -30.677 38.497 150.520
23 HG22 THR 4 HG22 THR 4 -32.416 38.339 150.766
24 HG23 THR 4 HG23 THR 4 -31.508 37.022 150.026
25 H THR 5 H THR 5 -30.860 39.374 155.401
26 HA THR 5 HA THR 5 -30.444 38.714 157.564
27 HB THR 5 HB THR 5 -32.500 36.555 157.176
28 HG1 THR 5 HG1 THR 5 -33.775 38.677 157.853
29 HG21 THR 5 HG21 THR 5 -31.145 37.327 159.366
30 HG22 THR 5 HG22 THR 5 -32.814 36.760 159.441
31 HG23 THR 5 HG23 THR 5 -32.469 38.490 159.437
32 HA PRO 6 HA PRO 6 -28.134 34.974 155.546
33 HB2 PRO 6 HB2 PRO 6 -25.743 36.305 156.447
34 HB3 PRO 6 HB3 PRO 6 -26.243 35.961 154.784
35 HG2 PRO 6 HG2 PRO 6 -26.424 38.448 156.303
36 HG3 PRO 6 HG3 PRO 6 -26.497 38.183 154.555
37 HD2 PRO 6 HD2 PRO 6 -28.675 38.905 156.052
38 HD3 PRO 6 HD3 PRO 6 -28.797 37.958 154.552
39 H LEU 7 H LEU 7 -26.728 33.492 156.759
40 HA LEU 7 HA LEU 7 -27.422 33.486 159.598
41 HB2 LEU 7 HB2 LEU 7 -26.301 31.183 159.471
42 HB3 LEU 7 HB3 LEU 7 -27.798 31.392 158.563
43 HG LEU 7 HG LEU 7 -25.329 32.107 157.097
44 HD11 LEU 7 HD11 LEU 7 -24.990 29.619 156.572
45 HD12 LEU 7 HD12 LEU 7 -25.934 29.294 158.026
46 HD13 LEU 7 HD13 LEU 7 -24.409 30.173 158.143
47 HD21 LEU 7 HD21 LEU 7 -27.691 32.047 156.183
48 HD22 LEU 7 HD22 LEU 7 -27.652 30.295 156.382
49 HD23 LEU 7 HD23 LEU 7 -26.531 31.082 155.271
50 H LYS 8 H LYS 8 -25.245 35.177 158.176
51 HA LYS 8 HA LYS 8 -23.176 36.013 158.716
52 HB2 LYS 8 HB2 LYS 8 -23.420 34.526 161.329
53 HB3 LYS 8 HB3 LYS 8 -22.559 36.032 161.004
54 HG2 LYS 8 HG2 LYS 8 -25.561 35.612 160.990
55 HG3 LYS 8 HG3 LYS 8 -24.631 36.589 162.128
56 HD2 LYS 8 HD2 LYS 8 -23.830 37.890 160.031
57 HD3 LYS 8 HD3 LYS 8 -25.195 37.127 159.216
58 HE2 LYS 8 HE2 LYS 8 -26.705 38.018 160.995
59 HE3 LYS 8 HE3 LYS 8 -25.326 38.864 161.697
60 HZ1 LYS 8 HZ1 LYS 8 -26.862 39.485 159.333
61 HZ2 LYS 8 HZ2 LYS 8 -25.180 39.602 159.122
62 HZ3 LYS 8 HZ3 LYS 8 -25.952 40.506 160.336
63 HN1 NH2 9 HN1 NH2 9 -22.796 32.140 159.341
64 HN2 NH2 9 HN2 NH2 9 -21.955 32.947 160.577
Start of MODEL 23
1 H1 ACE 1 H1 ACE 1 -35.523 46.408 150.007
2 H2 ACE 1 H2 ACE 1 -34.885 45.011 149.139
3 H3 ACE 1 H3 ACE 1 -34.117 46.589 148.959
4 HA PRO 2 HA PRO 2 -32.989 45.066 153.373
5 HB2 PRO 2 HB2 PRO 2 -33.798 42.316 153.679
6 HB3 PRO 2 HB3 PRO 2 -34.373 43.733 154.569
7 HG2 PRO 2 HG2 PRO 2 -35.865 42.242 152.785
8 HG3 PRO 2 HG3 PRO 2 -36.242 43.884 153.327
9 HD2 PRO 2 HD2 PRO 2 -35.051 42.981 150.747
10 HD3 PRO 2 HD3 PRO 2 -36.073 44.396 151.089
11 H THR 3 H THR 3 -31.818 42.703 154.237
12 HA THR 3 HA THR 3 -30.130 41.781 152.010
13 HB THR 3 HB THR 3 -28.097 42.168 153.268
14 HG1 THR 3 HG1 THR 3 -29.782 42.263 155.297
15 HG21 THR 3 HG21 THR 3 -27.962 44.458 152.921
16 HG22 THR 3 HG22 THR 3 -29.560 44.760 153.602
17 HG23 THR 3 HG23 THR 3 -29.406 44.073 151.985
18 H THR 4 H THR 4 -31.237 39.786 152.181
19 HA THR 4 HA THR 4 -31.104 38.333 154.708
20 HB THR 4 HB THR 4 -33.152 38.017 153.557
21 HG1 THR 4 HG1 THR 4 -32.436 35.726 152.546
22 HG21 THR 4 HG21 THR 4 -32.647 36.889 151.090
23 HG22 THR 4 HG22 THR 4 -31.404 38.135 151.205
24 HG23 THR 4 HG23 THR 4 -33.105 38.570 151.363
25 H THR 5 H THR 5 -28.686 38.417 154.613
26 HA THR 5 HA THR 5 -27.383 36.726 152.650
27 HB THR 5 HB THR 5 -25.443 37.153 154.436
28 HG1 THR 5 HG1 THR 5 -25.804 39.014 155.560
29 HG21 THR 5 HG21 THR 5 -24.929 39.233 153.194
30 HG22 THR 5 HG22 THR 5 -26.570 39.239 152.547
31 HG23 THR 5 HG23 THR 5 -25.454 37.943 152.113
32 HA PRO 6 HA PRO 6 -27.487 32.757 154.461
33 HB2 PRO 6 HB2 PRO 6 -24.641 32.475 154.804
34 HB3 PRO 6 HB3 PRO 6 -25.666 31.782 153.537
35 HG2 PRO 6 HG2 PRO 6 -23.930 34.128 153.450
36 HG3 PRO 6 HG3 PRO 6 -24.604 33.171 152.123
37 HD2 PRO 6 HD2 PRO 6 -25.440 35.713 152.710
38 HD3 PRO 6 HD3 PRO 6 -26.490 34.496 151.949
39 H LEU 7 H LEU 7 -28.042 32.313 156.510
40 HA LEU 7 HA LEU 7 -28.152 32.414 158.806
41 HB2 LEU 7 HB2 LEU 7 -25.256 32.146 158.151
42 HB3 LEU 7 HB3 LEU 7 -25.691 32.514 159.821
43 HG LEU 7 HG LEU 7 -27.158 30.329 158.379
44 HD11 LEU 7 HD11 LEU 7 -25.307 28.857 159.590
45 HD12 LEU 7 HD12 LEU 7 -24.316 30.292 159.322
46 HD13 LEU 7 HD13 LEU 7 -25.052 29.459 157.953
47 HD21 LEU 7 HD21 LEU 7 -27.748 29.669 160.513
48 HD22 LEU 7 HD22 LEU 7 -27.497 31.389 160.815
49 HD23 LEU 7 HD23 LEU 7 -26.231 30.228 161.218
50 H LYS 8 H LYS 8 -25.180 34.280 158.741
51 HA LYS 8 HA LYS 8 -26.559 36.813 159.078
52 HB2 LYS 8 HB2 LYS 8 -26.171 35.334 161.358
53 HB3 LYS 8 HB3 LYS 8 -24.721 36.337 161.318
54 HG2 LYS 8 HG2 LYS 8 -26.171 38.346 160.991
55 HG3 LYS 8 HG3 LYS 8 -27.589 37.311 161.174
56 HD2 LYS 8 HD2 LYS 8 -25.930 36.693 163.362
57 HD3 LYS 8 HD3 LYS 8 -25.891 38.452 163.226
58 HE2 LYS 8 HE2 LYS 8 -28.370 36.713 163.399
59 HE3 LYS 8 HE3 LYS 8 -27.767 37.807 164.644
60 HZ1 LYS 8 HZ1 LYS 8 -28.837 39.468 163.680
61 HZ2 LYS 8 HZ2 LYS 8 -29.467 38.401 162.518
62 HZ3 LYS 8 HZ3 LYS 8 -28.004 39.213 162.225
63 HN1 NH2 9 HN1 NH2 9 -24.881 38.459 157.998
64 HN2 NH2 9 HN2 NH2 9 -23.656 38.557 159.171
Start of MODEL 24
1 H1 ACE 1 H1 ACE 1 -32.500 38.565 150.208
2 H2 ACE 1 H2 ACE 1 -32.955 38.847 151.889
3 H3 ACE 1 H3 ACE 1 -31.408 38.090 151.509
4 HA PRO 2 HA PRO 2 -30.856 42.575 149.608
5 HB2 PRO 2 HB2 PRO 2 -33.032 44.125 150.687
6 HB3 PRO 2 HB3 PRO 2 -32.649 43.810 148.988
7 HG2 PRO 2 HG2 PRO 2 -34.643 42.553 150.710
8 HG3 PRO 2 HG3 PRO 2 -34.532 42.582 148.945
9 HD2 PRO 2 HD2 PRO 2 -34.063 40.332 150.437
10 HD3 PRO 2 HD3 PRO 2 -33.300 40.628 148.858
11 H THR 3 H THR 3 -32.859 43.112 152.509
12 HA THR 3 HA THR 3 -30.995 44.743 153.832
13 HB THR 3 HB THR 3 -32.354 44.176 155.889
14 HG1 THR 3 HG1 THR 3 -34.076 42.831 154.136
15 HG21 THR 3 HG21 THR 3 -33.401 45.989 155.043
16 HG22 THR 3 HG22 THR 3 -34.577 44.856 154.376
17 HG23 THR 3 HG23 THR 3 -33.226 45.410 153.387
18 H THR 4 H THR 4 -31.989 41.641 155.222
19 HA THR 4 HA THR 4 -29.282 41.253 156.243
20 HB THR 4 HB THR 4 -30.245 39.505 157.606
21 HG1 THR 4 HG1 THR 4 -32.798 39.892 156.608
22 HG21 THR 4 HG21 THR 4 -32.106 41.889 157.402
23 HG22 THR 4 HG22 THR 4 -30.626 41.811 158.358
24 HG23 THR 4 HG23 THR 4 -32.004 40.792 158.778
25 H THR 5 H THR 5 -27.952 39.542 155.730
26 HA THR 5 HA THR 5 -28.405 38.324 153.138
27 HB THR 5 HB THR 5 -26.162 38.130 153.075
28 HG1 THR 5 HG1 THR 5 -26.495 36.305 154.594
29 HG21 THR 5 HG21 THR 5 -26.168 39.465 155.789
30 HG22 THR 5 HG22 THR 5 -26.545 40.323 154.294
31 HG23 THR 5 HG23 THR 5 -24.949 39.608 154.522
32 HA PRO 6 HA PRO 6 -29.569 34.297 154.460
33 HB2 PRO 6 HB2 PRO 6 -27.509 32.792 153.119
34 HB3 PRO 6 HB3 PRO 6 -29.164 33.107 152.577
35 HG2 PRO 6 HG2 PRO 6 -26.873 34.119 151.412
36 HG3 PRO 6 HG3 PRO 6 -28.509 34.757 151.196
37 HD2 PRO 6 HD2 PRO 6 -26.289 35.806 152.889
38 HD3 PRO 6 HD3 PRO 6 -27.610 36.683 152.083
39 H LEU 7 H LEU 7 -29.230 34.035 156.636
40 HA LEU 7 HA LEU 7 -28.220 33.410 158.608
41 HB2 LEU 7 HB2 LEU 7 -27.897 31.358 156.723
42 HB3 LEU 7 HB3 LEU 7 -26.325 31.522 157.505
43 HG LEU 7 HG LEU 7 -27.706 29.951 158.771
44 HD11 LEU 7 HD11 LEU 7 -27.941 32.231 160.606
45 HD12 LEU 7 HD12 LEU 7 -26.373 32.144 159.804
46 HD13 LEU 7 HD13 LEU 7 -26.959 30.773 160.747
47 HD21 LEU 7 HD21 LEU 7 -29.661 31.802 159.815
48 HD22 LEU 7 HD22 LEU 7 -29.928 30.262 158.997
49 HD23 LEU 7 HD23 LEU 7 -29.776 31.746 158.056
50 H LYS 8 H LYS 8 -27.025 35.074 159.375
51 HA LYS 8 HA LYS 8 -25.172 36.319 159.914
52 HB2 LYS 8 HB2 LYS 8 -24.303 33.670 159.707
53 HB3 LYS 8 HB3 LYS 8 -23.130 34.603 158.777
54 HG2 LYS 8 HG2 LYS 8 -22.355 34.583 161.053
55 HG3 LYS 8 HG3 LYS 8 -22.994 36.198 160.742
56 HD2 LYS 8 HD2 LYS 8 -25.206 34.702 161.604
57 HD3 LYS 8 HD3 LYS 8 -23.886 34.219 162.670
58 HE2 LYS 8 HE2 LYS 8 -23.408 36.582 163.168
59 HE3 LYS 8 HE3 LYS 8 -24.708 37.080 162.085
60 HZ1 LYS 8 HZ1 LYS 8 -25.990 36.970 163.887
61 HZ2 LYS 8 HZ2 LYS 8 -24.846 36.081 164.773
62 HZ3 LYS 8 HZ3 LYS 8 -25.910 35.284 163.716
63 HN1 NH2 9 HN1 NH2 9 -25.776 36.254 156.315
64 HN2 NH2 9 HN2 NH2 9 -24.349 35.344 156.189
Start of MODEL 25
1 H1 ACE 1 H1 ACE 1 -31.446 42.112 146.362
2 H2 ACE 1 H2 ACE 1 -29.819 41.444 146.475
3 H3 ACE 1 H3 ACE 1 -30.166 43.035 147.150
4 HA PRO 2 HA PRO 2 -30.405 39.323 150.259
5 HB2 PRO 2 HB2 PRO 2 -28.805 40.995 151.974
6 HB3 PRO 2 HB3 PRO 2 -28.379 39.430 151.263
7 HG2 PRO 2 HG2 PRO 2 -27.631 42.123 150.417
8 HG3 PRO 2 HG3 PRO 2 -26.892 40.566 150.018
9 HD2 PRO 2 HD2 PRO 2 -28.316 42.053 148.212
10 HD3 PRO 2 HD3 PRO 2 -28.195 40.281 148.131
11 H THR 3 H THR 3 -31.503 39.426 152.304
12 HA THR 3 HA THR 3 -33.230 41.785 152.539
13 HB THR 3 HB THR 3 -34.686 40.398 153.849
14 HG1 THR 3 HG1 THR 3 -32.368 38.866 154.066
15 HG21 THR 3 HG21 THR 3 -34.557 40.021 151.344
16 HG22 THR 3 HG22 THR 3 -35.213 38.672 152.270
17 HG23 THR 3 HG23 THR 3 -33.550 38.616 151.685
18 H THR 4 H THR 4 -33.347 40.267 155.423
19 HA THR 4 HA THR 4 -31.770 42.356 156.715
20 HB THR 4 HB THR 4 -33.433 40.197 158.022
21 HG1 THR 4 HG1 THR 4 -34.570 42.618 157.952
22 HG21 THR 4 HG21 THR 4 -31.684 42.123 159.051
23 HG22 THR 4 HG22 THR 4 -32.905 41.226 159.953
24 HG23 THR 4 HG23 THR 4 -33.291 42.811 159.283
25 H THR 5 H THR 5 -29.764 41.311 155.800
26 HA THR 5 HA THR 5 -27.855 40.054 156.061
27 HB THR 5 HB THR 5 -27.094 39.769 158.322
28 HG1 THR 5 HG1 THR 5 -28.993 40.413 159.880
29 HG21 THR 5 HG21 THR 5 -27.018 41.988 158.801
30 HG22 THR 5 HG22 THR 5 -28.775 42.139 158.829
31 HG23 THR 5 HG23 THR 5 -27.912 42.166 157.291
32 HA PRO 6 HA PRO 6 -30.220 36.075 156.084
33 HB2 PRO 6 HB2 PRO 6 -29.293 35.610 153.394
34 HB3 PRO 6 HB3 PRO 6 -30.948 35.906 153.948
35 HG2 PRO 6 HG2 PRO 6 -29.440 37.626 152.400
36 HG3 PRO 6 HG3 PRO 6 -30.878 38.068 153.331
37 HD2 PRO 6 HD2 PRO 6 -28.004 38.547 153.967
38 HD3 PRO 6 HD3 PRO 6 -29.437 39.504 154.409
39 H LEU 7 H LEU 7 -28.828 35.003 157.464
40 HA LEU 7 HA LEU 7 -27.174 33.528 158.072
41 HB2 LEU 7 HB2 LEU 7 -27.862 32.591 155.734
42 HB3 LEU 7 HB3 LEU 7 -26.326 33.277 155.203
43 HG LEU 7 HG LEU 7 -25.442 32.037 157.397
44 HD11 LEU 7 HD11 LEU 7 -27.876 31.289 157.824
45 HD12 LEU 7 HD12 LEU 7 -26.622 30.053 157.931
46 HD13 LEU 7 HD13 LEU 7 -27.629 30.165 156.488
47 HD21 LEU 7 HD21 LEU 7 -24.873 30.107 155.934
48 HD22 LEU 7 HD22 LEU 7 -24.625 31.648 155.112
49 HD23 LEU 7 HD23 LEU 7 -26.052 30.676 154.752
50 H LYS 8 H LYS 8 -24.897 33.446 158.424
51 HA LYS 8 HA LYS 8 -23.614 36.028 158.056
52 HB2 LYS 8 HB2 LYS 8 -22.503 33.556 159.398
53 HB3 LYS 8 HB3 LYS 8 -21.952 35.220 159.595
54 HG2 LYS 8 HG2 LYS 8 -23.388 35.416 161.318
55 HG3 LYS 8 HG3 LYS 8 -24.708 35.281 160.155
56 HD2 LYS 8 HD2 LYS 8 -24.662 32.828 160.375
57 HD3 LYS 8 HD3 LYS 8 -23.331 32.951 161.526
58 HE2 LYS 8 HE2 LYS 8 -26.023 34.277 161.939
59 HE3 LYS 8 HE3 LYS 8 -25.608 32.693 162.592
60 HZ1 LYS 8 HZ1 LYS 8 -24.143 33.576 164.065
61 HZ2 LYS 8 HZ2 LYS 8 -25.212 34.892 163.951
62 HZ3 LYS 8 HZ3 LYS 8 -23.754 34.900 163.079
63 HN1 NH2 9 HN1 NH2 9 -23.174 34.216 155.103
64 HN2 NH2 9 HN2 NH2 9 -22.710 35.819 155.411
Start of MODEL 26
1 H1 ACE 1 H1 ACE 1 -32.211 46.918 147.670
2 H2 ACE 1 H2 ACE 1 -31.333 47.318 149.146
3 H3 ACE 1 H3 ACE 1 -33.094 47.403 149.116
4 HA PRO 2 HA PRO 2 -32.279 42.614 148.458
5 HB2 PRO 2 HB2 PRO 2 -29.502 42.225 149.118
6 HB3 PRO 2 HB3 PRO 2 -30.326 41.871 147.591
7 HG2 PRO 2 HG2 PRO 2 -28.648 44.148 148.315
8 HG3 PRO 2 HG3 PRO 2 -29.110 43.548 146.716
9 HD2 PRO 2 HD2 PRO 2 -30.077 45.882 147.773
10 HD3 PRO 2 HD3 PRO 2 -30.983 44.896 146.604
11 H THR 3 H THR 3 -33.449 42.446 150.358
12 HA THR 3 HA THR 3 -32.608 43.166 152.926
13 HB THR 3 HB THR 3 -34.447 40.851 152.312
14 HG1 THR 3 HG1 THR 3 -34.754 43.039 151.210
15 HG21 THR 3 HG21 THR 3 -34.317 42.883 154.558
16 HG22 THR 3 HG22 THR 3 -33.862 41.183 154.672
17 HG23 THR 3 HG23 THR 3 -35.546 41.628 154.391
18 H THR 4 H THR 4 -31.782 41.949 154.664
19 HA THR 4 HA THR 4 -29.924 39.855 153.840
20 HB THR 4 HB THR 4 -28.762 41.196 155.283
21 HG1 THR 4 HG1 THR 4 -29.253 39.030 156.272
22 HG21 THR 4 HG21 THR 4 -29.877 42.361 157.228
23 HG22 THR 4 HG22 THR 4 -31.412 41.712 156.651
24 HG23 THR 4 HG23 THR 4 -30.494 42.830 155.643
25 H THR 5 H THR 5 -29.688 37.917 155.249
26 HA THR 5 HA THR 5 -32.012 37.060 156.750
27 HB THR 5 HB THR 5 -31.528 35.013 154.777
28 HG1 THR 5 HG1 THR 5 -31.199 37.327 153.763
29 HG21 THR 5 HG21 THR 5 -33.957 35.167 154.541
30 HG22 THR 5 HG22 THR 5 -33.959 36.724 155.369
31 HG23 THR 5 HG23 THR 5 -33.518 35.260 156.247
32 HA PRO 6 HA PRO 6 -28.436 33.863 156.929
33 HB2 PRO 6 HB2 PRO 6 -26.147 34.915 155.528
34 HB3 PRO 6 HB3 PRO 6 -27.092 33.466 155.151
35 HG2 PRO 6 HG2 PRO 6 -27.005 35.768 153.626
36 HG3 PRO 6 HG3 PRO 6 -28.251 34.515 153.535
37 HD2 PRO 6 HD2 PRO 6 -28.369 37.196 154.836
38 HD3 PRO 6 HD3 PRO 6 -29.673 36.237 154.099
39 H LEU 7 H LEU 7 -26.624 33.734 158.387
40 HA LEU 7 HA LEU 7 -25.530 36.276 159.363
41 HB2 LEU 7 HB2 LEU 7 -25.991 35.505 161.729
42 HB3 LEU 7 HB3 LEU 7 -27.414 36.001 160.813
43 HG LEU 7 HG LEU 7 -26.836 33.188 160.388
44 HD11 LEU 7 HD11 LEU 7 -25.879 33.299 162.647
45 HD12 LEU 7 HD12 LEU 7 -27.418 32.438 162.681
46 HD13 LEU 7 HD13 LEU 7 -27.331 34.110 163.235
47 HD21 LEU 7 HD21 LEU 7 -28.982 34.333 159.915
48 HD22 LEU 7 HD22 LEU 7 -29.183 34.652 161.638
49 HD23 LEU 7 HD23 LEU 7 -29.205 32.993 161.040
50 H LYS 8 H LYS 8 -25.327 32.884 158.853
51 HA LYS 8 HA LYS 8 -23.590 31.389 159.000
52 HB2 LYS 8 HB2 LYS 8 -21.770 33.765 159.383
53 HB3 LYS 8 HB3 LYS 8 -21.398 32.212 158.634
54 HG2 LYS 8 HG2 LYS 8 -23.124 32.758 156.864
55 HG3 LYS 8 HG3 LYS 8 -23.213 34.381 157.551
56 HD2 LYS 8 HD2 LYS 8 -20.709 33.058 156.463
57 HD3 LYS 8 HD3 LYS 8 -21.634 34.328 155.662
58 HE2 LYS 8 HE2 LYS 8 -19.991 35.595 156.709
59 HE3 LYS 8 HE3 LYS 8 -21.252 35.611 157.942
60 HZ1 LYS 8 HZ1 LYS 8 -19.483 34.935 159.179
61 HZ2 LYS 8 HZ2 LYS 8 -18.720 34.142 157.885
62 HZ3 LYS 8 HZ3 LYS 8 -20.044 33.419 158.666
63 HN1 NH2 9 HN1 NH2 9 -21.187 31.435 160.981
64 HN2 NH2 9 HN2 NH2 9 -22.323 30.474 161.797
Start of MODEL 27
1 H1 ACE 1 H1 ACE 1 -33.625 44.671 154.536
2 H2 ACE 1 H2 ACE 1 -34.138 46.046 153.558
3 H3 ACE 1 H3 ACE 1 -32.420 45.723 153.792
4 HA PRO 2 HA PRO 2 -34.389 43.894 149.756
5 HB2 PRO 2 HB2 PRO 2 -32.105 45.044 148.430
6 HB3 PRO 2 HB3 PRO 2 -33.815 45.447 148.213
7 HG2 PRO 2 HG2 PRO 2 -31.757 46.832 149.753
8 HG3 PRO 2 HG3 PRO 2 -33.318 47.422 149.166
9 HD2 PRO 2 HD2 PRO 2 -32.800 46.936 151.812
10 HD3 PRO 2 HD3 PRO 2 -34.426 46.815 151.100
11 H THR 3 H THR 3 -33.872 41.784 149.728
12 HA THR 3 HA THR 3 -32.651 39.836 149.913
13 HB THR 3 HB THR 3 -30.590 39.829 148.488
14 HG1 THR 3 HG1 THR 3 -29.777 41.822 148.657
15 HG21 THR 3 HG21 THR 3 -32.141 39.394 146.920
16 HG22 THR 3 HG22 THR 3 -32.188 41.121 146.562
17 HG23 THR 3 HG23 THR 3 -33.315 40.431 147.730
18 H THR 4 H THR 4 -32.400 40.118 152.235
19 HA THR 4 HA THR 4 -29.579 40.212 152.974
20 HB THR 4 HB THR 4 -31.563 41.916 154.484
21 HG1 THR 4 HG1 THR 4 -30.447 43.652 153.416
22 HG21 THR 4 HG21 THR 4 -29.611 41.185 155.754
23 HG22 THR 4 HG22 THR 4 -29.462 42.903 155.384
24 HG23 THR 4 HG23 THR 4 -28.539 41.718 154.459
25 H THR 5 H THR 5 -29.428 38.225 153.830
26 HA THR 5 HA THR 5 -30.933 37.618 156.230
27 HB THR 5 HB THR 5 -31.107 35.628 153.973
28 HG1 THR 5 HG1 THR 5 -33.437 36.629 154.258
29 HG21 THR 5 HG21 THR 5 -32.404 34.415 155.410
30 HG22 THR 5 HG22 THR 5 -33.125 35.853 156.133
31 HG23 THR 5 HG23 THR 5 -31.517 35.327 156.632
32 HA PRO 6 HA PRO 6 -26.636 35.910 156.002
33 HB2 PRO 6 HB2 PRO 6 -26.067 37.250 158.488
34 HB3 PRO 6 HB3 PRO 6 -25.383 37.573 156.888
35 HG2 PRO 6 HG2 PRO 6 -27.073 39.256 158.282
36 HG3 PRO 6 HG3 PRO 6 -26.748 39.327 156.544
37 HD2 PRO 6 HD2 PRO 6 -29.130 38.238 157.970
38 HD3 PRO 6 HD3 PRO 6 -29.016 38.975 156.355
39 H LEU 7 H LEU 7 -25.540 34.480 157.573
40 HA LEU 7 HA LEU 7 -27.100 33.601 159.874
41 HB2 LEU 7 HB2 LEU 7 -27.442 32.319 157.407
42 HB3 LEU 7 HB3 LEU 7 -26.358 31.272 158.323
43 HG LEU 7 HG LEU 7 -29.013 32.352 159.312
44 HD11 LEU 7 HD11 LEU 7 -29.591 30.652 157.813
45 HD12 LEU 7 HD12 LEU 7 -29.424 29.758 159.324
46 HD13 LEU 7 HD13 LEU 7 -28.121 29.733 158.135
47 HD21 LEU 7 HD21 LEU 7 -26.700 31.139 160.636
48 HD22 LEU 7 HD22 LEU 7 -28.190 30.242 160.926
49 HD23 LEU 7 HD23 LEU 7 -28.096 31.953 161.344
50 H LYS 8 H LYS 8 -25.484 33.888 161.317
51 HA LYS 8 HA LYS 8 -23.205 32.094 161.164
52 HB2 LYS 8 HB2 LYS 8 -22.959 34.836 160.365
53 HB3 LYS 8 HB3 LYS 8 -22.061 34.593 161.864
54 HG2 LYS 8 HG2 LYS 8 -20.919 32.642 160.860
55 HG3 LYS 8 HG3 LYS 8 -21.800 32.909 159.355
56 HD2 LYS 8 HD2 LYS 8 -20.777 35.128 159.122
57 HD3 LYS 8 HD3 LYS 8 -19.929 34.911 160.654
58 HE2 LYS 8 HE2 LYS 8 -19.538 32.722 158.713
59 HE3 LYS 8 HE3 LYS 8 -18.867 34.276 158.216
60 HZ1 LYS 8 HZ1 LYS 8 -18.066 32.519 160.371
61 HZ2 LYS 8 HZ2 LYS 8 -18.120 34.168 160.780
62 HZ3 LYS 8 HZ3 LYS 8 -17.152 33.642 159.487
63 HN1 NH2 9 HN1 NH2 9 -24.682 34.732 163.534
64 HN2 NH2 9 HN2 NH2 9 -23.083 34.662 164.098
Start of MODEL 28
1 H1 ACE 1 H1 ACE 1 -34.609 47.212 152.525
2 H2 ACE 1 H2 ACE 1 -36.085 46.315 152.169
3 H3 ACE 1 H3 ACE 1 -35.174 47.068 150.860
4 HA PRO 2 HA PRO 2 -32.669 43.600 149.935
5 HB2 PRO 2 HB2 PRO 2 -30.153 44.574 150.941
6 HB3 PRO 2 HB3 PRO 2 -30.709 44.511 149.262
7 HG2 PRO 2 HG2 PRO 2 -30.635 46.768 151.113
8 HG3 PRO 2 HG3 PRO 2 -30.761 46.757 149.348
9 HD2 PRO 2 HD2 PRO 2 -32.838 47.455 150.992
10 HD3 PRO 2 HD3 PRO 2 -33.072 46.741 149.380
11 H THR 3 H THR 3 -33.024 41.832 151.158
12 HA THR 3 HA THR 3 -31.468 41.446 153.583
13 HB THR 3 HB THR 3 -34.494 41.356 153.640
14 HG1 THR 3 HG1 THR 3 -34.201 43.348 154.196
15 HG21 THR 3 HG21 THR 3 -33.887 39.636 155.078
16 HG22 THR 3 HG22 THR 3 -33.845 41.015 156.176
17 HG23 THR 3 HG23 THR 3 -32.347 40.386 155.491
18 H THR 4 H THR 4 -30.497 39.812 152.290
19 HA THR 4 HA THR 4 -31.979 37.300 152.348
20 HB THR 4 HB THR 4 -32.522 38.103 150.126
21 HG1 THR 4 HG1 THR 4 -30.379 36.261 149.940
22 HG21 THR 4 HG21 THR 4 -30.719 38.644 148.513
23 HG22 THR 4 HG22 THR 4 -29.529 38.450 149.801
24 HG23 THR 4 HG23 THR 4 -30.719 39.748 149.889
25 H THR 5 H THR 5 -29.595 38.593 153.628
26 HA THR 5 HA THR 5 -27.317 37.111 152.618
27 HB THR 5 HB THR 5 -26.609 38.077 155.108
28 HG1 THR 5 HG1 THR 5 -28.070 39.481 155.602
29 HG21 THR 5 HG21 THR 5 -25.703 40.028 153.707
30 HG22 THR 5 HG22 THR 5 -26.487 39.253 152.330
31 HG23 THR 5 HG23 THR 5 -25.217 38.407 153.213
32 HA PRO 6 HA PRO 6 -27.635 33.597 155.231
33 HB2 PRO 6 HB2 PRO 6 -24.855 33.529 155.988
34 HB3 PRO 6 HB3 PRO 6 -25.670 32.597 154.722
35 HG2 PRO 6 HG2 PRO 6 -23.795 34.582 154.301
36 HG3 PRO 6 HG3 PRO 6 -24.936 33.968 153.096
37 HD2 PRO 6 HD2 PRO 6 -25.038 36.501 154.666
38 HD3 PRO 6 HD3 PRO 6 -25.670 36.150 153.042
39 H LEU 7 H LEU 7 -26.665 32.681 157.458
40 HA LEU 7 HA LEU 7 -26.854 34.862 159.449
41 HB2 LEU 7 HB2 LEU 7 -27.925 32.043 159.717
42 HB3 LEU 7 HB3 LEU 7 -28.062 33.331 160.913
43 HG LEU 7 HG LEU 7 -29.202 33.450 158.106
44 HD11 LEU 7 HD11 LEU 7 -30.634 33.119 160.759
45 HD12 LEU 7 HD12 LEU 7 -30.329 31.802 159.627
46 HD13 LEU 7 HD13 LEU 7 -31.372 33.145 159.158
47 HD21 LEU 7 HD21 LEU 7 -30.490 35.373 159.418
48 HD22 LEU 7 HD22 LEU 7 -28.913 35.678 158.689
49 HD23 LEU 7 HD23 LEU 7 -29.036 35.349 160.418
50 H LYS 8 H LYS 8 -24.700 35.084 159.911
51 HA LYS 8 HA LYS 8 -23.043 32.749 160.413
52 HB2 LYS 8 HB2 LYS 8 -21.378 34.641 161.072
53 HB3 LYS 8 HB3 LYS 8 -21.825 34.453 159.376
54 HG2 LYS 8 HG2 LYS 8 -22.052 36.778 159.807
55 HG3 LYS 8 HG3 LYS 8 -23.699 36.148 159.854
56 HD2 LYS 8 HD2 LYS 8 -22.397 35.959 162.456
57 HD3 LYS 8 HD3 LYS 8 -22.447 37.621 161.867
58 HE2 LYS 8 HE2 LYS 8 -24.818 37.579 161.640
59 HE3 LYS 8 HE3 LYS 8 -24.877 35.824 161.808
60 HZ1 LYS 8 HZ1 LYS 8 -25.532 36.787 163.865
61 HZ2 LYS 8 HZ2 LYS 8 -24.173 37.804 163.902
62 HZ3 LYS 8 HZ3 LYS 8 -23.987 36.126 164.089
63 HN1 NH2 9 HN1 NH2 9 -21.973 32.760 163.234
64 HN2 NH2 9 HN2 NH2 9 -21.930 34.453 163.347
Start of MODEL 29
1 H1 ACE 1 H1 ACE 1 -34.860 41.255 146.383
2 H2 ACE 1 H2 ACE 1 -35.269 42.960 146.186
3 H3 ACE 1 H3 ACE 1 -36.487 41.822 146.760
4 HA PRO 2 HA PRO 2 -35.700 42.356 151.032
5 HB2 PRO 2 HB2 PRO 2 -34.470 39.811 151.588
6 HB3 PRO 2 HB3 PRO 2 -36.132 40.319 151.921
7 HG2 PRO 2 HG2 PRO 2 -35.091 38.678 149.743
8 HG3 PRO 2 HG3 PRO 2 -36.746 38.836 150.346
9 HD2 PRO 2 HD2 PRO 2 -35.933 39.839 147.931
10 HD3 PRO 2 HD3 PRO 2 -37.259 40.548 148.881
11 H THR 3 H THR 3 -34.051 42.966 152.467
12 HA THR 3 HA THR 3 -31.557 43.660 151.327
13 HB THR 3 HB THR 3 -32.834 44.656 153.386
14 HG1 THR 3 HG1 THR 3 -30.884 45.526 154.046
15 HG21 THR 3 HG21 THR 3 -30.938 42.851 154.872
16 HG22 THR 3 HG22 THR 3 -32.590 42.334 154.537
17 HG23 THR 3 HG23 THR 3 -32.299 43.783 155.498
18 H THR 4 H THR 4 -29.428 42.963 152.047
19 HA THR 4 HA THR 4 -29.308 40.057 152.281
20 HB THR 4 HB THR 4 -27.275 42.200 151.684
21 HG1 THR 4 HG1 THR 4 -28.429 41.523 149.934
22 HG21 THR 4 HG21 THR 4 -25.743 40.116 151.379
23 HG22 THR 4 HG22 THR 4 -26.868 39.328 152.485
24 HG23 THR 4 HG23 THR 4 -25.977 40.758 153.005
25 H THR 5 H THR 5 -29.579 39.354 154.325
26 HA THR 5 HA THR 5 -28.517 40.822 156.589
27 HB THR 5 HB THR 5 -30.001 39.624 157.785
28 HG1 THR 5 HG1 THR 5 -29.872 37.452 157.907
29 HG21 THR 5 HG21 THR 5 -31.194 40.014 155.581
30 HG22 THR 5 HG22 THR 5 -31.830 38.684 156.548
31 HG23 THR 5 HG23 THR 5 -30.795 38.348 155.160
32 HA PRO 6 HA PRO 6 -24.829 38.520 157.239
33 HB2 PRO 6 HB2 PRO 6 -25.324 37.671 159.949
34 HB3 PRO 6 HB3 PRO 6 -24.376 39.057 159.391
35 HG2 PRO 6 HG2 PRO 6 -26.775 39.195 160.753
36 HG3 PRO 6 HG3 PRO 6 -26.051 40.500 159.802
37 HD2 PRO 6 HD2 PRO 6 -28.301 38.678 159.090
38 HD3 PRO 6 HD3 PRO 6 -27.996 40.354 158.578
39 H LEU 7 H LEU 7 -23.898 36.372 158.296
40 HA LEU 7 HA LEU 7 -25.605 34.185 157.308
41 HB2 LEU 7 HB2 LEU 7 -23.108 34.706 156.568
42 HB3 LEU 7 HB3 LEU 7 -22.736 33.771 158.016
43 HG LEU 7 HG LEU 7 -22.853 32.254 156.119
44 HD11 LEU 7 HD11 LEU 7 -24.394 30.675 157.007
45 HD12 LEU 7 HD12 LEU 7 -25.461 31.941 157.613
46 HD13 LEU 7 HD13 LEU 7 -23.904 31.655 158.389
47 HD21 LEU 7 HD21 LEU 7 -24.750 34.029 155.156
48 HD22 LEU 7 HD22 LEU 7 -25.718 32.618 155.584
49 HD23 LEU 7 HD23 LEU 7 -24.377 32.456 154.450
50 H LYS 8 H LYS 8 -26.870 33.571 159.001
51 HA LYS 8 HA LYS 8 -27.459 32.669 161.030
52 HB2 LYS 8 HB2 LYS 8 -24.689 31.578 160.597
53 HB3 LYS 8 HB3 LYS 8 -25.589 31.201 162.066
54 HG2 LYS 8 HG2 LYS 8 -27.331 30.135 160.859
55 HG3 LYS 8 HG3 LYS 8 -26.804 30.830 159.326
56 HD2 LYS 8 HD2 LYS 8 -24.735 29.497 159.422
57 HD3 LYS 8 HD3 LYS 8 -25.245 28.808 160.963
58 HE2 LYS 8 HE2 LYS 8 -27.424 28.440 159.215
59 HE3 LYS 8 HE3 LYS 8 -25.990 28.010 158.283
60 HZ1 LYS 8 HZ1 LYS 8 -27.248 26.443 160.135
61 HZ2 LYS 8 HZ2 LYS 8 -25.872 27.011 160.953
62 HZ3 LYS 8 HZ3 LYS 8 -25.706 26.179 159.481
63 HN1 NH2 9 HN1 NH2 9 -26.872 35.479 162.311
64 HN2 NH2 9 HN2 NH2 9 -27.331 34.242 163.379
Start of MODEL 30
1 H1 ACE 1 H1 ACE 1 -33.962 44.527 151.131
2 H2 ACE 1 H2 ACE 1 -34.614 43.224 150.138
3 H3 ACE 1 H3 ACE 1 -33.854 44.618 149.373
4 HA PRO 2 HA PRO 2 -29.820 42.935 149.169
5 HB2 PRO 2 HB2 PRO 2 -28.545 44.582 151.159
6 HB3 PRO 2 HB3 PRO 2 -28.471 44.738 149.397
7 HG2 PRO 2 HG2 PRO 2 -30.076 46.223 151.332
8 HG3 PRO 2 HG3 PRO 2 -29.651 46.633 149.664
9 HD2 PRO 2 HD2 PRO 2 -32.179 45.910 150.430
10 HD3 PRO 2 HD3 PRO 2 -31.540 45.624 148.796
11 H THR 3 H THR 3 -31.316 43.301 152.291
12 HA THR 3 HA THR 3 -29.552 41.259 153.468
13 HB THR 3 HB THR 3 -29.696 42.915 155.061
14 HG1 THR 3 HG1 THR 3 -32.173 41.750 155.681
15 HG21 THR 3 HG21 THR 3 -31.815 44.237 155.431
16 HG22 THR 3 HG22 THR 3 -32.499 43.407 154.033
17 HG23 THR 3 HG23 THR 3 -31.090 44.450 153.837
18 H THR 4 H THR 4 -30.486 39.532 152.209
19 HA THR 4 HA THR 4 -33.290 38.879 152.687
20 HB THR 4 HB THR 4 -32.465 38.508 150.444
21 HG1 THR 4 HG1 THR 4 -33.864 36.917 151.491
22 HG21 THR 4 HG21 THR 4 -30.123 37.634 151.857
23 HG22 THR 4 HG22 THR 4 -30.312 37.947 150.133
24 HG23 THR 4 HG23 THR 4 -30.660 36.344 150.780
25 H THR 5 H THR 5 -32.261 38.857 155.094
26 HA THR 5 HA THR 5 -31.996 37.570 156.978
27 HB THR 5 HB THR 5 -32.578 35.130 155.316
28 HG1 THR 5 HG1 THR 5 -34.494 36.916 156.389
29 HG21 THR 5 HG21 THR 5 -32.022 34.827 157.692
30 HG22 THR 5 HG22 THR 5 -33.718 34.441 157.399
31 HG23 THR 5 HG23 THR 5 -33.279 35.980 158.140
32 HA PRO 6 HA PRO 6 -27.817 36.286 155.459
33 HB2 PRO 6 HB2 PRO 6 -26.662 38.166 157.311
34 HB3 PRO 6 HB3 PRO 6 -26.633 38.213 155.543
35 HG2 PRO 6 HG2 PRO 6 -27.998 39.975 157.174
36 HG3 PRO 6 HG3 PRO 6 -28.306 39.712 155.451
37 HD2 PRO 6 HD2 PRO 6 -29.835 38.715 157.810
38 HD3 PRO 6 HD3 PRO 6 -30.408 39.108 156.173
39 H LEU 7 H LEU 7 -26.723 34.654 156.422
40 HA LEU 7 HA LEU 7 -27.474 33.825 159.083
41 HB2 LEU 7 HB2 LEU 7 -25.571 32.703 157.021
42 HB3 LEU 7 HB3 LEU 7 -25.806 31.971 158.610
43 HG LEU 7 HG LEU 7 -28.329 32.596 157.250
44 HD11 LEU 7 HD11 LEU 7 -28.053 30.569 155.714
45 HD12 LEU 7 HD12 LEU 7 -26.318 30.716 155.994
46 HD13 LEU 7 HD13 LEU 7 -27.201 32.031 155.220
47 HD21 LEU 7 HD21 LEU 7 -27.137 30.047 158.393
48 HD22 LEU 7 HD22 LEU 7 -28.833 30.294 157.975
49 HD23 LEU 7 HD23 LEU 7 -28.107 31.212 159.295
50 H LYS 8 H LYS 8 -24.349 34.606 157.535
51 HA LYS 8 HA LYS 8 -23.463 35.977 159.937
52 HB2 LYS 8 HB2 LYS 8 -22.969 33.554 160.366
53 HB3 LYS 8 HB3 LYS 8 -21.917 33.572 158.950
54 HG2 LYS 8 HG2 LYS 8 -20.559 33.956 160.931
55 HG3 LYS 8 HG3 LYS 8 -20.629 35.450 159.994
56 HD2 LYS 8 HD2 LYS 8 -21.877 36.540 161.572
57 HD3 LYS 8 HD3 LYS 8 -22.766 35.086 162.022
58 HE2 LYS 8 HE2 LYS 8 -19.846 35.439 162.705
59 HE3 LYS 8 HE3 LYS 8 -21.126 36.022 163.768
60 HZ1 LYS 8 HZ1 LYS 8 -21.968 33.545 163.254
61 HZ2 LYS 8 HZ2 LYS 8 -21.002 33.953 164.591
62 HZ3 LYS 8 HZ3 LYS 8 -20.291 33.308 163.190
63 HN1 NH2 9 HN1 NH2 9 -21.402 35.224 156.600
64 HN2 NH2 9 HN2 NH2 9 -20.490 35.309 158.029
Start of MODEL 31
1 H1 ACE 1 H1 ACE 1 -33.506 39.013 151.898
2 H2 ACE 1 H2 ACE 1 -31.960 38.231 151.570
3 H3 ACE 1 H3 ACE 1 -33.109 38.500 150.258
4 HA PRO 2 HA PRO 2 -31.650 42.632 149.671
5 HB2 PRO 2 HB2 PRO 2 -33.919 44.202 150.503
6 HB3 PRO 2 HB3 PRO 2 -33.464 43.718 148.862
7 HG2 PRO 2 HG2 PRO 2 -35.677 42.815 150.245
8 HG3 PRO 2 HG3 PRO 2 -34.954 42.034 148.832
9 HD2 PRO 2 HD2 PRO 2 -34.736 41.288 151.711
10 HD3 PRO 2 HD3 PRO 2 -34.678 40.254 150.266
11 H THR 3 H THR 3 -33.075 42.182 152.829
12 HA THR 3 HA THR 3 -32.038 44.571 154.019
13 HB THR 3 HB THR 3 -32.705 43.564 156.133
14 HG1 THR 3 HG1 THR 3 -33.569 41.235 154.912
15 HG21 THR 3 HG21 THR 3 -34.881 43.911 155.657
16 HG22 THR 3 HG22 THR 3 -34.939 42.518 154.578
17 HG23 THR 3 HG23 THR 3 -34.384 44.078 153.973
18 H THR 4 H THR 4 -31.069 41.140 154.224
19 HA THR 4 HA THR 4 -28.276 41.950 154.460
20 HB THR 4 HB THR 4 -28.999 39.962 156.499
21 HG1 THR 4 HG1 THR 4 -29.555 42.567 157.251
22 HG21 THR 4 HG21 THR 4 -26.768 41.157 156.081
23 HG22 THR 4 HG22 THR 4 -27.340 41.120 157.749
24 HG23 THR 4 HG23 THR 4 -27.528 42.584 156.785
25 H THR 5 H THR 5 -27.099 39.611 155.083
26 HA THR 5 HA THR 5 -27.615 38.020 152.715
27 HB THR 5 HB THR 5 -25.458 37.404 152.923
28 HG1 THR 5 HG1 THR 5 -25.347 37.108 155.659
29 HG21 THR 5 HG21 THR 5 -25.382 39.204 155.353
30 HG22 THR 5 HG22 THR 5 -25.465 39.818 153.702
31 HG23 THR 5 HG23 THR 5 -24.071 38.869 154.221
32 HA PRO 6 HA PRO 6 -29.665 34.618 154.599
33 HB2 PRO 6 HB2 PRO 6 -27.868 32.522 153.775
34 HB3 PRO 6 HB3 PRO 6 -29.382 33.029 153.012
35 HG2 PRO 6 HG2 PRO 6 -26.857 33.346 151.937
36 HG3 PRO 6 HG3 PRO 6 -28.310 34.225 151.439
37 HD2 PRO 6 HD2 PRO 6 -26.045 35.147 153.145
38 HD3 PRO 6 HD3 PRO 6 -27.098 36.082 152.059
39 H LEU 7 H LEU 7 -29.474 34.838 156.819
40 HA LEU 7 HA LEU 7 -28.615 34.567 158.954
41 HB2 LEU 7 HB2 LEU 7 -29.580 32.334 158.336
42 HB3 LEU 7 HB3 LEU 7 -27.961 31.826 157.853
43 HG LEU 7 HG LEU 7 -27.153 32.391 160.154
44 HD11 LEU 7 HD11 LEU 7 -29.990 33.247 160.366
45 HD12 LEU 7 HD12 LEU 7 -28.562 33.869 161.193
46 HD13 LEU 7 HD13 LEU 7 -29.335 32.389 161.760
47 HD21 LEU 7 HD21 LEU 7 -27.907 30.081 159.467
48 HD22 LEU 7 HD22 LEU 7 -29.485 30.451 160.162
49 HD23 LEU 7 HD23 LEU 7 -28.057 30.400 161.195
50 H LYS 8 H LYS 8 -26.832 36.094 158.339
51 HA LYS 8 HA LYS 8 -24.620 36.707 158.433
52 HB2 LYS 8 HB2 LYS 8 -24.149 33.968 159.622
53 HB3 LYS 8 HB3 LYS 8 -23.179 35.424 159.853
54 HG2 LYS 8 HG2 LYS 8 -25.066 36.519 160.989
55 HG3 LYS 8 HG3 LYS 8 -26.061 35.083 160.737
56 HD2 LYS 8 HD2 LYS 8 -24.991 33.887 162.372
57 HD3 LYS 8 HD3 LYS 8 -23.431 34.645 162.052
58 HE2 LYS 8 HE2 LYS 8 -24.579 35.247 164.276
59 HE3 LYS 8 HE3 LYS 8 -23.998 36.589 163.291
60 HZ1 LYS 8 HZ1 LYS 8 -26.776 35.551 163.201
61 HZ2 LYS 8 HZ2 LYS 8 -26.178 36.956 162.454
62 HZ3 LYS 8 HZ3 LYS 8 -26.292 36.874 164.147
63 HN1 NH2 9 HN1 NH2 9 -22.522 33.808 156.905
64 HN2 NH2 9 HN2 NH2 9 -22.159 35.172 157.848
Start of MODEL 32
1 H1 ACE 1 H1 ACE 1 -33.092 43.784 146.964
2 H2 ACE 1 H2 ACE 1 -32.804 42.202 147.688
3 H3 ACE 1 H3 ACE 1 -31.443 43.251 147.286
4 HA PRO 2 HA PRO 2 -33.710 45.823 150.787
5 HB2 PRO 2 HB2 PRO 2 -35.591 43.992 151.975
6 HB3 PRO 2 HB3 PRO 2 -35.920 45.546 151.195
7 HG2 PRO 2 HG2 PRO 2 -36.207 42.838 150.141
8 HG3 PRO 2 HG3 PRO 2 -36.923 44.353 149.574
9 HD2 PRO 2 HD2 PRO 2 -34.953 43.027 148.210
10 HD3 PRO 2 HD3 PRO 2 -35.179 44.788 148.122
11 H THR 3 H THR 3 -34.158 42.397 151.689
12 HA THR 3 HA THR 3 -31.746 42.537 153.365
13 HB THR 3 HB THR 3 -34.327 41.407 154.444
14 HG1 THR 3 HG1 THR 3 -34.896 43.339 155.017
15 HG21 THR 3 HG21 THR 3 -33.141 41.045 156.357
16 HG22 THR 3 HG22 THR 3 -32.202 42.526 156.173
17 HG23 THR 3 HG23 THR 3 -31.755 41.080 155.268
18 H THR 4 H THR 4 -30.525 40.945 152.572
19 HA THR 4 HA THR 4 -31.611 38.239 152.485
20 HB THR 4 HB THR 4 -30.064 39.013 150.068
21 HG1 THR 4 HG1 THR 4 -32.274 39.526 149.189
22 HG21 THR 4 HG21 THR 4 -31.505 37.340 149.050
23 HG22 THR 4 HG22 THR 4 -32.522 37.292 150.491
24 HG23 THR 4 HG23 THR 4 -30.864 36.696 150.562
25 H THR 5 H THR 5 -29.726 39.539 154.196
26 HA THR 5 HA THR 5 -27.071 38.732 153.357
27 HB THR 5 HB THR 5 -26.931 39.273 156.064
28 HG1 THR 5 HG1 THR 5 -28.229 41.305 156.020
29 HG21 THR 5 HG21 THR 5 -25.392 40.232 154.529
30 HG22 THR 5 HG22 THR 5 -26.271 41.602 155.209
31 HG23 THR 5 HG23 THR 5 -26.679 41.002 153.601
32 HA PRO 6 HA PRO 6 -26.999 34.754 155.214
33 HB2 PRO 6 HB2 PRO 6 -24.397 35.031 156.423
34 HB3 PRO 6 HB3 PRO 6 -24.816 34.251 154.891
35 HG2 PRO 6 HG2 PRO 6 -23.361 36.584 155.161
36 HG3 PRO 6 HG3 PRO 6 -24.171 36.038 153.686
37 HD2 PRO 6 HD2 PRO 6 -25.018 38.131 155.634
38 HD3 PRO 6 HD3 PRO 6 -25.332 38.016 153.887
39 H LEU 7 H LEU 7 -26.237 33.568 157.367
40 HA LEU 7 HA LEU 7 -26.833 35.252 159.709
41 HB2 LEU 7 HB2 LEU 7 -28.300 32.776 158.827
42 HB3 LEU 7 HB3 LEU 7 -28.244 33.245 160.527
43 HG LEU 7 HG LEU 7 -28.964 35.337 158.516
44 HD11 LEU 7 HD11 LEU 7 -30.616 32.945 159.251
45 HD12 LEU 7 HD12 LEU 7 -30.508 33.796 157.710
46 HD13 LEU 7 HD13 LEU 7 -31.419 34.502 159.046
47 HD21 LEU 7 HD21 LEU 7 -30.311 34.809 161.146
48 HD22 LEU 7 HD22 LEU 7 -29.995 36.348 160.345
49 HD23 LEU 7 HD23 LEU 7 -28.681 35.483 161.142
50 H LYS 8 H LYS 8 -24.312 34.665 159.285
51 HA LYS 8 HA LYS 8 -22.449 33.668 160.185
52 HB2 LYS 8 HB2 LYS 8 -23.787 34.165 162.294
53 HB3 LYS 8 HB3 LYS 8 -24.300 32.478 162.251
54 HG2 LYS 8 HG2 LYS 8 -21.976 31.730 162.342
55 HG3 LYS 8 HG3 LYS 8 -21.411 33.400 162.275
56 HD2 LYS 8 HD2 LYS 8 -22.135 33.873 164.444
57 HD3 LYS 8 HD3 LYS 8 -23.325 32.572 164.438
58 HE2 LYS 8 HE2 LYS 8 -21.361 32.039 165.871
59 HE3 LYS 8 HE3 LYS 8 -21.544 30.898 164.538
60 HZ1 LYS 8 HZ1 LYS 8 -19.791 31.846 163.379
61 HZ2 LYS 8 HZ2 LYS 8 -19.241 31.874 164.987
62 HZ3 LYS 8 HZ3 LYS 8 -19.839 33.291 164.266
63 HN1 NH2 9 HN1 NH2 9 -21.967 30.542 160.826
64 HN2 NH2 9 HN2 NH2 9 -21.539 31.086 159.276
Start of MODEL 33
1 H1 ACE 1 H1 ACE 1 -37.846 41.788 149.445
2 H2 ACE 1 H2 ACE 1 -37.663 40.817 147.984
3 H3 ACE 1 H3 ACE 1 -37.737 42.576 147.871
4 HA PRO 2 HA PRO 2 -33.423 43.272 148.119
5 HB2 PRO 2 HB2 PRO 2 -33.302 44.428 150.754
6 HB3 PRO 2 HB3 PRO 2 -33.258 45.258 149.193
7 HG2 PRO 2 HG2 PRO 2 -35.479 44.918 151.056
8 HG3 PRO 2 HG3 PRO 2 -35.277 46.082 149.737
9 HD2 PRO 2 HD2 PRO 2 -37.054 44.001 149.634
10 HD3 PRO 2 HD3 PRO 2 -36.299 44.707 148.187
11 H THR 3 H THR 3 -31.432 42.866 149.564
12 HA THR 3 HA THR 3 -31.787 40.249 150.848
13 HB THR 3 HB THR 3 -29.980 39.864 149.545
14 HG1 THR 3 HG1 THR 3 -29.215 40.383 151.845
15 HG21 THR 3 HG21 THR 3 -29.593 42.866 149.542
16 HG22 THR 3 HG22 THR 3 -30.247 41.872 148.240
17 HG23 THR 3 HG23 THR 3 -28.542 41.748 148.673
18 H THR 4 H THR 4 -31.456 39.908 152.974
19 HA THR 4 HA THR 4 -31.030 42.244 154.671
20 HB THR 4 HB THR 4 -32.845 40.559 155.123
21 HG1 THR 4 HG1 THR 4 -32.624 41.208 157.091
22 HG21 THR 4 HG21 THR 4 -30.958 38.692 154.605
23 HG22 THR 4 HG22 THR 4 -32.388 38.367 155.584
24 HG23 THR 4 HG23 THR 4 -30.852 38.746 156.364
25 H THR 5 H THR 5 -29.979 40.608 156.868
26 HA THR 5 HA THR 5 -27.166 40.861 156.215
27 HB THR 5 HB THR 5 -27.174 41.432 158.387
28 HG1 THR 5 HG1 THR 5 -26.617 39.029 158.326
29 HG21 THR 5 HG21 THR 5 -29.851 40.024 158.570
30 HG22 THR 5 HG22 THR 5 -29.592 41.750 158.318
31 HG23 THR 5 HG23 THR 5 -29.144 41.007 159.852
32 HA PRO 6 HA PRO 6 -25.900 36.802 155.234
33 HB2 PRO 6 HB2 PRO 6 -24.282 36.331 157.571
34 HB3 PRO 6 HB3 PRO 6 -23.750 36.772 155.941
35 HG2 PRO 6 HG2 PRO 6 -24.063 38.445 158.314
36 HG3 PRO 6 HG3 PRO 6 -23.139 38.743 156.835
37 HD2 PRO 6 HD2 PRO 6 -25.439 40.093 157.460
38 HD3 PRO 6 HD3 PRO 6 -24.904 39.807 155.789
39 H LEU 7 H LEU 7 -25.747 34.507 156.202
40 HA LEU 7 HA LEU 7 -28.141 34.077 157.832
41 HB2 LEU 7 HB2 LEU 7 -27.581 31.620 157.224
42 HB3 LEU 7 HB3 LEU 7 -28.169 32.684 155.946
43 HG LEU 7 HG LEU 7 -25.235 32.687 156.365
44 HD11 LEU 7 HD11 LEU 7 -26.703 30.307 155.189
45 HD12 LEU 7 HD12 LEU 7 -25.707 30.299 156.644
46 HD13 LEU 7 HD13 LEU 7 -24.965 30.581 155.069
47 HD21 LEU 7 HD21 LEU 7 -26.974 32.404 153.893
48 HD22 LEU 7 HD22 LEU 7 -25.259 32.813 153.929
49 HD23 LEU 7 HD23 LEU 7 -26.449 33.945 154.569
50 H LYS 8 H LYS 8 -25.788 31.603 157.904
51 HA LYS 8 HA LYS 8 -24.568 30.663 159.607
52 HB2 LYS 8 HB2 LYS 8 -23.382 32.904 159.355
53 HB3 LYS 8 HB3 LYS 8 -24.327 33.450 160.740
54 HG2 LYS 8 HG2 LYS 8 -23.362 31.009 161.600
55 HG3 LYS 8 HG3 LYS 8 -22.014 31.645 160.657
56 HD2 LYS 8 HD2 LYS 8 -22.131 33.763 161.936
57 HD3 LYS 8 HD3 LYS 8 -23.450 33.096 162.900
58 HE2 LYS 8 HE2 LYS 8 -21.313 31.198 162.898
59 HE3 LYS 8 HE3 LYS 8 -20.639 32.776 163.302
60 HZ1 LYS 8 HZ1 LYS 8 -23.046 31.617 164.592
61 HZ2 LYS 8 HZ2 LYS 8 -22.224 33.033 165.045
62 HZ3 LYS 8 HZ3 LYS 8 -21.482 31.517 165.239
63 HN1 NH2 9 HN1 NH2 9 -26.338 30.213 162.616
64 HN2 NH2 9 HN2 NH2 9 -24.867 29.902 161.828
Start of MODEL 34
1 H1 ACE 1 H1 ACE 1 -28.196 46.990 150.753
2 H2 ACE 1 H2 ACE 1 -28.942 47.636 152.214
3 H3 ACE 1 H3 ACE 1 -29.749 47.818 150.658
4 HA PRO 2 HA PRO 2 -32.138 44.155 150.830
5 HB2 PRO 2 HB2 PRO 2 -30.655 42.566 148.928
6 HB3 PRO 2 HB3 PRO 2 -32.190 43.414 148.687
7 HG2 PRO 2 HG2 PRO 2 -29.479 44.212 147.932
8 HG3 PRO 2 HG3 PRO 2 -31.038 44.779 147.315
9 HD2 PRO 2 HD2 PRO 2 -29.430 46.336 148.885
10 HD3 PRO 2 HD3 PRO 2 -31.206 46.475 148.908
11 H THR 3 H THR 3 -32.215 42.205 151.918
12 HA THR 3 HA THR 3 -29.788 40.722 152.496
13 HB THR 3 HB THR 3 -29.396 42.020 154.336
14 HG1 THR 3 HG1 THR 3 -31.050 41.099 156.043
15 HG21 THR 3 HG21 THR 3 -32.351 42.613 154.231
16 HG22 THR 3 HG22 THR 3 -31.000 43.725 154.010
17 HG23 THR 3 HG23 THR 3 -31.364 43.088 155.614
18 H THR 4 H THR 4 -30.334 38.656 152.311
19 HA THR 4 HA THR 4 -33.124 37.852 152.597
20 HB THR 4 HB THR 4 -30.918 35.936 151.948
21 HG1 THR 4 HG1 THR 4 -30.808 36.702 149.906
22 HG21 THR 4 HG21 THR 4 -33.702 36.320 150.819
23 HG22 THR 4 HG22 THR 4 -33.326 35.255 152.173
24 HG23 THR 4 HG23 THR 4 -32.643 34.931 150.580
25 H THR 5 H THR 5 -31.667 38.616 155.008
26 HA THR 5 HA THR 5 -31.276 37.866 157.148
27 HB THR 5 HB THR 5 -32.899 36.365 158.019
28 HG1 THR 5 HG1 THR 5 -32.436 35.066 155.788
29 HG21 THR 5 HG21 THR 5 -34.713 37.623 157.491
30 HG22 THR 5 HG22 THR 5 -34.596 37.227 155.776
31 HG23 THR 5 HG23 THR 5 -33.602 38.518 156.452
32 HA PRO 6 HA PRO 6 -28.365 34.558 155.709
33 HB2 PRO 6 HB2 PRO 6 -26.190 36.132 156.752
34 HB3 PRO 6 HB3 PRO 6 -26.536 35.723 155.067
35 HG2 PRO 6 HG2 PRO 6 -26.716 38.244 156.187
36 HG3 PRO 6 HG3 PRO 6 -27.450 37.733 154.662
37 HD2 PRO 6 HD2 PRO 6 -28.726 38.144 157.317
38 HD3 PRO 6 HD3 PRO 6 -29.425 38.283 155.689
39 H LEU 7 H LEU 7 -26.507 33.542 157.086
40 HA LEU 7 HA LEU 7 -27.576 33.177 159.790
41 HB2 LEU 7 HB2 LEU 7 -25.364 31.662 158.384
42 HB3 LEU 7 HB3 LEU 7 -26.199 31.188 159.864
43 HG LEU 7 HG LEU 7 -28.296 31.593 158.127
44 HD11 LEU 7 HD11 LEU 7 -27.763 30.616 156.015
45 HD12 LEU 7 HD12 LEU 7 -26.163 30.123 156.569
46 HD13 LEU 7 HD13 LEU 7 -26.517 31.831 156.310
47 HD21 LEU 7 HD21 LEU 7 -28.226 29.699 159.572
48 HD22 LEU 7 HD22 LEU 7 -26.716 29.123 158.867
49 HD23 LEU 7 HD23 LEU 7 -28.213 29.031 157.940
50 H LYS 8 H LYS 8 -25.651 35.377 158.539
51 HA LYS 8 HA LYS 8 -23.371 35.159 160.324
52 HB2 LYS 8 HB2 LYS 8 -24.083 36.717 157.971
53 HB3 LYS 8 HB3 LYS 8 -23.351 37.713 159.232
54 HG2 LYS 8 HG2 LYS 8 -21.458 36.154 159.389
55 HG3 LYS 8 HG3 LYS 8 -22.191 35.125 158.159
56 HD2 LYS 8 HD2 LYS 8 -21.109 36.347 156.608
57 HD3 LYS 8 HD3 LYS 8 -22.165 37.695 157.031
58 HE2 LYS 8 HE2 LYS 8 -20.548 38.269 158.884
59 HE3 LYS 8 HE3 LYS 8 -19.457 37.051 158.225
60 HZ1 LYS 8 HZ1 LYS 8 -20.472 39.469 156.836
61 HZ2 LYS 8 HZ2 LYS 8 -19.562 38.247 156.084
62 HZ3 LYS 8 HZ3 LYS 8 -18.877 39.174 157.332
63 HN1 NH2 9 HN1 NH2 9 -23.566 37.703 162.401
64 HN2 NH2 9 HN2 NH2 9 -23.744 36.043 162.702
Start of MODEL 35
1 H1 ACE 1 H1 ACE 1 -34.890 41.732 146.970
2 H2 ACE 1 H2 ACE 1 -34.780 43.480 147.178
3 H3 ACE 1 H3 ACE 1 -35.576 42.495 148.405
4 HA PRO 2 HA PRO 2 -30.905 43.507 149.209
5 HB2 PRO 2 HB2 PRO 2 -31.783 44.212 151.861
6 HB3 PRO 2 HB3 PRO 2 -31.049 45.258 150.636
7 HG2 PRO 2 HG2 PRO 2 -33.854 44.959 151.389
8 HG3 PRO 2 HG3 PRO 2 -33.053 46.270 150.513
9 HD2 PRO 2 HD2 PRO 2 -34.776 44.507 149.320
10 HD3 PRO 2 HD3 PRO 2 -33.452 45.312 148.448
11 H THR 3 H THR 3 -29.606 42.444 150.915
12 HA THR 3 HA THR 3 -30.660 39.793 151.496
13 HB THR 3 HB THR 3 -28.324 39.362 152.295
14 HG1 THR 3 HG1 THR 3 -26.917 41.211 151.464
15 HG21 THR 3 HG21 THR 3 -28.092 38.738 150.149
16 HG22 THR 3 HG22 THR 3 -27.532 40.368 149.778
17 HG23 THR 3 HG23 THR 3 -29.243 39.968 149.628
18 H THR 4 H THR 4 -32.274 40.736 153.027
19 HA THR 4 HA THR 4 -31.204 41.650 155.584
20 HB THR 4 HB THR 4 -33.677 41.730 156.185
21 HG1 THR 4 HG1 THR 4 -33.992 41.401 153.396
22 HG21 THR 4 HG21 THR 4 -33.114 43.858 155.654
23 HG22 THR 4 HG22 THR 4 -33.919 43.536 154.118
24 HG23 THR 4 HG23 THR 4 -32.170 43.350 154.254
25 H THR 5 H THR 5 -30.379 39.063 154.945
26 HA THR 5 HA THR 5 -31.431 37.614 157.223
27 HB THR 5 HB THR 5 -31.654 36.388 154.464
28 HG1 THR 5 HG1 THR 5 -33.477 37.652 156.184
29 HG21 THR 5 HG21 THR 5 -33.151 35.062 156.503
30 HG22 THR 5 HG22 THR 5 -31.501 35.277 157.089
31 HG23 THR 5 HG23 THR 5 -31.793 34.437 155.566
32 HA PRO 6 HA PRO 6 -26.865 37.289 155.660
33 HB2 PRO 6 HB2 PRO 6 -26.166 37.898 158.387
34 HB3 PRO 6 HB3 PRO 6 -25.832 38.850 156.933
35 HG2 PRO 6 HG2 PRO 6 -27.917 39.200 158.945
36 HG3 PRO 6 HG3 PRO 6 -27.289 40.350 157.756
37 HD2 PRO 6 HD2 PRO 6 -29.784 39.232 157.586
38 HD3 PRO 6 HD3 PRO 6 -28.855 39.762 156.164
39 H LEU 7 H LEU 7 -25.394 35.629 156.334
40 HA LEU 7 HA LEU 7 -26.714 33.348 157.527
41 HB2 LEU 7 HB2 LEU 7 -24.631 33.722 155.688
42 HB3 LEU 7 HB3 LEU 7 -23.873 32.997 157.107
43 HG LEU 7 HG LEU 7 -24.681 31.232 155.619
44 HD11 LEU 7 HD11 LEU 7 -26.791 31.017 157.650
45 HD12 LEU 7 HD12 LEU 7 -25.220 31.454 158.322
46 HD13 LEU 7 HD13 LEU 7 -25.392 29.979 157.370
47 HD21 LEU 7 HD21 LEU 7 -27.524 31.619 155.956
48 HD22 LEU 7 HD22 LEU 7 -26.601 31.463 154.460
49 HD23 LEU 7 HD23 LEU 7 -26.814 33.048 155.204
50 H LYS 8 H LYS 8 -23.951 35.438 158.323
51 HA LYS 8 HA LYS 8 -24.359 34.920 161.152
52 HB2 LYS 8 HB2 LYS 8 -21.828 34.083 159.723
53 HB3 LYS 8 HB3 LYS 8 -21.950 34.269 161.473
54 HG2 LYS 8 HG2 LYS 8 -23.955 32.668 161.341
55 HG3 LYS 8 HG3 LYS 8 -23.415 32.308 159.701
56 HD2 LYS 8 HD2 LYS 8 -21.200 31.653 160.572
57 HD3 LYS 8 HD3 LYS 8 -21.742 32.005 162.213
58 HE2 LYS 8 HE2 LYS 8 -23.684 30.346 161.660
59 HE3 LYS 8 HE3 LYS 8 -22.615 29.790 160.372
60 HZ1 LYS 8 HZ1 LYS 8 -22.084 28.461 162.189
61 HZ2 LYS 8 HZ2 LYS 8 -22.155 29.754 163.290
62 HZ3 LYS 8 HZ3 LYS 8 -20.865 29.641 162.190
63 HN1 NH2 9 HN1 NH2 9 -23.802 37.822 159.262
64 HN2 NH2 9 HN2 NH2 9 -24.308 37.965 160.876
Start of MODEL 36
1 H1 ACE 1 H1 ACE 1 -31.009 41.110 145.367
2 H2 ACE 1 H2 ACE 1 -30.667 42.838 145.462
3 H3 ACE 1 H3 ACE 1 -32.291 42.240 145.801
4 HA PRO 2 HA PRO 2 -29.412 42.866 149.654
5 HB2 PRO 2 HB2 PRO 2 -31.668 44.249 150.793
6 HB3 PRO 2 HB3 PRO 2 -30.069 44.899 150.401
7 HG2 PRO 2 HG2 PRO 2 -32.575 45.105 148.917
8 HG3 PRO 2 HG3 PRO 2 -31.105 46.082 148.795
9 HD2 PRO 2 HD2 PRO 2 -31.887 44.307 146.861
10 HD3 PRO 2 HD3 PRO 2 -30.186 44.736 147.158
11 H THR 3 H THR 3 -29.864 41.961 151.773
12 HA THR 3 HA THR 3 -32.334 40.406 152.039
13 HB THR 3 HB THR 3 -30.072 38.788 152.839
14 HG1 THR 3 HG1 THR 3 -29.391 40.153 150.884
15 HG21 THR 3 HG21 THR 3 -31.254 37.110 151.560
16 HG22 THR 3 HG22 THR 3 -32.174 38.348 150.704
17 HG23 THR 3 HG23 THR 3 -32.447 38.078 152.426
18 H THR 4 H THR 4 -33.081 41.206 153.908
19 HA THR 4 HA THR 4 -31.241 41.906 156.063
20 HB THR 4 HB THR 4 -33.286 42.749 157.185
21 HG1 THR 4 HG1 THR 4 -34.977 41.662 156.527
22 HG21 THR 4 HG21 THR 4 -33.856 44.467 155.389
23 HG22 THR 4 HG22 THR 4 -32.764 43.579 154.327
24 HG23 THR 4 HG23 THR 4 -32.148 44.325 155.801
25 H THR 5 H THR 5 -30.570 39.625 156.332
26 HA THR 5 HA THR 5 -32.149 38.377 158.425
27 HB THR 5 HB THR 5 -32.947 36.608 157.285
28 HG1 THR 5 HG1 THR 5 -30.474 36.561 155.896
29 HG21 THR 5 HG21 THR 5 -31.997 38.311 154.971
30 HG22 THR 5 HG22 THR 5 -33.609 38.273 155.685
31 HG23 THR 5 HG23 THR 5 -33.018 36.888 154.766
32 HA PRO 6 HA PRO 6 -28.233 36.899 159.766
33 HB2 PRO 6 HB2 PRO 6 -28.945 34.142 160.208
34 HB3 PRO 6 HB3 PRO 6 -28.868 35.456 161.390
35 HG2 PRO 6 HG2 PRO 6 -31.173 34.190 160.545
36 HG3 PRO 6 HG3 PRO 6 -31.096 35.765 161.349
37 HD2 PRO 6 HD2 PRO 6 -31.507 35.143 158.461
38 HD3 PRO 6 HD3 PRO 6 -32.096 36.522 159.417
39 H LEU 7 H LEU 7 -26.336 36.244 158.884
40 HA LEU 7 HA LEU 7 -26.369 34.121 156.843
41 HB2 LEU 7 HB2 LEU 7 -25.346 36.933 156.532
42 HB3 LEU 7 HB3 LEU 7 -24.661 35.609 155.588
43 HG LEU 7 HG LEU 7 -27.636 35.836 155.699
44 HD11 LEU 7 HD11 LEU 7 -27.589 37.446 153.806
45 HD12 LEU 7 HD12 LEU 7 -25.847 37.620 154.019
46 HD13 LEU 7 HD13 LEU 7 -26.949 38.153 155.289
47 HD21 LEU 7 HD21 LEU 7 -26.209 34.043 154.502
48 HD22 LEU 7 HD22 LEU 7 -25.820 35.313 153.342
49 HD23 LEU 7 HD23 LEU 7 -27.495 34.806 153.565
50 H LYS 8 H LYS 8 -25.433 34.506 159.711
51 HA LYS 8 HA LYS 8 -23.668 33.822 161.011
52 HB2 LYS 8 HB2 LYS 8 -23.851 31.947 159.161
53 HB3 LYS 8 HB3 LYS 8 -22.314 32.629 158.626
54 HG2 LYS 8 HG2 LYS 8 -21.517 32.421 161.032
55 HG3 LYS 8 HG3 LYS 8 -22.973 31.474 161.345
56 HD2 LYS 8 HD2 LYS 8 -21.707 29.700 160.708
57 HD3 LYS 8 HD3 LYS 8 -22.011 30.278 159.069
58 HE2 LYS 8 HE2 LYS 8 -19.636 31.028 160.799
59 HE3 LYS 8 HE3 LYS 8 -19.602 29.931 159.419
60 HZ1 LYS 8 HZ1 LYS 8 -20.161 32.839 159.416
61 HZ2 LYS 8 HZ2 LYS 8 -20.505 31.839 158.086
62 HZ3 LYS 8 HZ3 LYS 8 -18.904 32.017 158.626
63 HN1 NH2 9 HN1 NH2 9 -22.009 36.716 159.069
64 HN2 NH2 9 HN2 NH2 9 -22.802 35.634 158.028
Start of MODEL 37
1 H1 ACE 1 H1 ACE 1 -30.190 44.461 148.405
2 H2 ACE 1 H2 ACE 1 -29.494 45.908 149.133
3 H3 ACE 1 H3 ACE 1 -30.992 46.018 148.208
4 HA PRO 2 HA PRO 2 -33.714 45.440 151.585
5 HB2 PRO 2 HB2 PRO 2 -34.655 42.790 150.966
6 HB3 PRO 2 HB3 PRO 2 -35.472 44.334 150.685
7 HG2 PRO 2 HG2 PRO 2 -33.994 42.643 148.817
8 HG3 PRO 2 HG3 PRO 2 -35.167 43.928 148.494
9 HD2 PRO 2 HD2 PRO 2 -32.487 44.186 147.989
10 HD3 PRO 2 HD3 PRO 2 -33.541 45.565 148.379
11 H THR 3 H THR 3 -32.474 42.154 150.913
12 HA THR 3 HA THR 3 -31.002 42.099 153.410
13 HB THR 3 HB THR 3 -33.473 41.524 153.912
14 HG1 THR 3 HG1 THR 3 -32.484 39.459 154.998
15 HG21 THR 3 HG21 THR 3 -32.726 38.790 152.941
16 HG22 THR 3 HG22 THR 3 -33.390 39.952 151.792
17 HG23 THR 3 HG23 THR 3 -34.326 39.482 153.211
18 H THR 4 H THR 4 -29.962 39.898 153.712
19 HA THR 4 HA THR 4 -29.679 38.328 151.270
20 HB THR 4 HB THR 4 -27.207 38.572 151.273
21 HG1 THR 4 HG1 THR 4 -26.774 39.263 153.300
22 HG21 THR 4 HG21 THR 4 -28.800 39.999 149.871
23 HG22 THR 4 HG22 THR 4 -27.179 40.651 150.109
24 HG23 THR 4 HG23 THR 4 -28.530 41.279 151.053
25 H THR 5 H THR 5 -30.857 37.258 153.321
26 HA THR 5 HA THR 5 -30.804 35.618 154.933
27 HB THR 5 HB THR 5 -29.252 33.811 154.531
28 HG1 THR 5 HG1 THR 5 -27.460 35.382 154.246
29 HG21 THR 5 HG21 THR 5 -30.394 33.318 152.663
30 HG22 THR 5 HG22 THR 5 -29.398 34.438 151.734
31 HG23 THR 5 HG23 THR 5 -30.866 35.012 152.527
32 HA PRO 6 HA PRO 6 -27.730 37.930 157.507
33 HB2 PRO 6 HB2 PRO 6 -29.878 38.611 159.304
34 HB3 PRO 6 HB3 PRO 6 -28.930 39.691 158.270
35 HG2 PRO 6 HG2 PRO 6 -31.608 39.095 157.945
36 HG3 PRO 6 HG3 PRO 6 -30.545 39.779 156.707
37 HD2 PRO 6 HD2 PRO 6 -31.517 36.977 157.011
38 HD3 PRO 6 HD3 PRO 6 -31.090 37.873 155.536
39 H LEU 7 H LEU 7 -26.728 36.103 158.319
40 HA LEU 7 HA LEU 7 -27.869 35.011 160.788
41 HB2 LEU 7 HB2 LEU 7 -28.441 33.548 158.728
42 HB3 LEU 7 HB3 LEU 7 -26.730 33.119 158.746
43 HG LEU 7 HG LEU 7 -27.322 32.801 161.373
44 HD11 LEU 7 HD11 LEU 7 -29.780 31.757 159.963
45 HD12 LEU 7 HD12 LEU 7 -29.758 33.352 160.715
46 HD13 LEU 7 HD13 LEU 7 -29.494 31.911 161.696
47 HD21 LEU 7 HD21 LEU 7 -26.198 31.120 160.058
48 HD22 LEU 7 HD22 LEU 7 -27.644 30.834 159.089
49 HD23 LEU 7 HD23 LEU 7 -27.609 30.352 160.785
50 H LYS 8 H LYS 8 -25.699 32.843 160.335
51 HA LYS 8 HA LYS 8 -23.537 32.493 161.025
52 HB2 LYS 8 HB2 LYS 8 -22.874 35.310 160.213
53 HB3 LYS 8 HB3 LYS 8 -21.878 33.858 160.099
54 HG2 LYS 8 HG2 LYS 8 -23.825 33.038 158.502
55 HG3 LYS 8 HG3 LYS 8 -24.111 34.769 158.320
56 HD2 LYS 8 HD2 LYS 8 -21.514 34.876 157.938
57 HD3 LYS 8 HD3 LYS 8 -21.690 33.163 157.557
58 HE2 LYS 8 HE2 LYS 8 -23.611 33.904 155.995
59 HE3 LYS 8 HE3 LYS 8 -22.945 35.529 156.167
60 HZ1 LYS 8 HZ1 LYS 8 -21.608 33.123 155.074
61 HZ2 LYS 8 HZ2 LYS 8 -20.756 34.527 155.508
62 HZ3 LYS 8 HZ3 LYS 8 -21.930 34.586 154.281
63 HN1 NH2 9 HN1 NH2 9 -25.549 34.649 162.550
64 HN2 NH2 9 HN2 NH2 9 -24.569 35.051 163.876
Start of MODEL 38
1 H1 ACE 1 H1 ACE 1 -28.800 44.622 148.318
2 H2 ACE 1 H2 ACE 1 -28.404 43.046 149.004
3 H3 ACE 1 H3 ACE 1 -28.209 44.505 149.975
4 HA PRO 2 HA PRO 2 -33.059 44.378 149.288
5 HB2 PRO 2 HB2 PRO 2 -33.609 41.747 148.252
6 HB3 PRO 2 HB3 PRO 2 -33.960 43.313 147.506
7 HG2 PRO 2 HG2 PRO 2 -31.775 41.448 146.981
8 HG3 PRO 2 HG3 PRO 2 -32.397 42.770 145.983
9 HD2 PRO 2 HD2 PRO 2 -29.969 42.866 147.248
10 HD3 PRO 2 HD3 PRO 2 -30.932 44.315 146.881
11 H THR 3 H THR 3 -33.182 44.233 151.501
12 HA THR 3 HA THR 3 -33.233 43.290 153.614
13 HB THR 3 HB THR 3 -34.682 41.021 152.264
14 HG1 THR 3 HG1 THR 3 -36.259 42.328 151.753
15 HG21 THR 3 HG21 THR 3 -34.196 41.395 154.855
16 HG22 THR 3 HG22 THR 3 -35.744 40.763 154.297
17 HG23 THR 3 HG23 THR 3 -35.588 42.470 154.714
18 H THR 4 H THR 4 -31.079 42.782 154.015
19 HA THR 4 HA THR 4 -30.035 40.199 153.142
20 HB THR 4 HB THR 4 -28.187 41.492 153.104
21 HG1 THR 4 HG1 THR 4 -27.143 40.859 154.789
22 HG21 THR 4 HG21 THR 4 -29.654 43.318 155.024
23 HG22 THR 4 HG22 THR 4 -29.446 43.549 153.288
24 HG23 THR 4 HG23 THR 4 -28.055 43.662 154.366
25 H THR 5 H THR 5 -29.880 38.426 154.390
26 HA THR 5 HA THR 5 -29.980 38.584 157.281
27 HB THR 5 HB THR 5 -32.172 37.064 155.861
28 HG1 THR 5 HG1 THR 5 -31.944 39.700 156.568
29 HG21 THR 5 HG21 THR 5 -31.533 36.213 158.073
30 HG22 THR 5 HG22 THR 5 -33.122 36.974 158.144
31 HG23 THR 5 HG23 THR 5 -31.706 37.829 158.757
32 HA PRO 6 HA PRO 6 -27.677 34.990 155.491
33 HB2 PRO 6 HB2 PRO 6 -25.373 35.822 157.011
34 HB3 PRO 6 HB3 PRO 6 -25.578 35.801 155.252
35 HG2 PRO 6 HG2 PRO 6 -25.362 38.067 156.818
36 HG3 PRO 6 HG3 PRO 6 -26.011 38.006 155.173
37 HD2 PRO 6 HD2 PRO 6 -27.472 38.197 157.765
38 HD3 PRO 6 HD3 PRO 6 -27.924 38.820 156.163
39 H LEU 7 H LEU 7 -26.272 33.354 156.814
40 HA LEU 7 HA LEU 7 -27.669 32.899 159.365
41 HB2 LEU 7 HB2 LEU 7 -26.861 31.202 157.188
42 HB3 LEU 7 HB3 LEU 7 -26.102 30.652 158.682
43 HG LEU 7 HG LEU 7 -29.056 31.271 158.408
44 HD11 LEU 7 HD11 LEU 7 -28.654 28.528 158.886
45 HD12 LEU 7 HD12 LEU 7 -27.509 28.949 157.611
46 HD13 LEU 7 HD13 LEU 7 -29.230 29.266 157.391
47 HD21 LEU 7 HD21 LEU 7 -29.110 31.035 160.649
48 HD22 LEU 7 HD22 LEU 7 -27.348 30.950 160.649
49 HD23 LEU 7 HD23 LEU 7 -28.302 29.471 160.532
50 H LYS 8 H LYS 8 -25.105 34.547 158.611
51 HA LYS 8 HA LYS 8 -23.092 33.261 160.267
52 HB2 LYS 8 HB2 LYS 8 -23.087 36.011 159.000
53 HB3 LYS 8 HB3 LYS 8 -21.698 35.173 159.692
54 HG2 LYS 8 HG2 LYS 8 -22.807 33.341 157.882
55 HG3 LYS 8 HG3 LYS 8 -22.871 34.895 157.050
56 HD2 LYS 8 HD2 LYS 8 -20.723 33.923 156.562
57 HD3 LYS 8 HD3 LYS 8 -20.449 35.236 157.707
58 HE2 LYS 8 HE2 LYS 8 -19.408 33.750 159.042
59 HE3 LYS 8 HE3 LYS 8 -20.974 32.979 159.294
60 HZ1 LYS 8 HZ1 LYS 8 -20.556 31.684 157.248
61 HZ2 LYS 8 HZ2 LYS 8 -19.443 31.357 158.489
62 HZ3 LYS 8 HZ3 LYS 8 -18.994 32.341 157.178
63 HN1 NH2 9 HN1 NH2 9 -23.653 33.597 162.797
64 HN2 NH2 9 HN2 NH2 9 -25.153 34.394 162.766
Start of MODEL 39
1 H1 ACE 1 H1 ACE 1 -28.829 39.820 149.952
2 H2 ACE 1 H2 ACE 1 -27.243 40.108 150.668
3 H3 ACE 1 H3 ACE 1 -27.538 40.531 148.982
4 HA PRO 2 HA PRO 2 -29.260 44.435 150.140
5 HB2 PRO 2 HB2 PRO 2 -32.024 44.124 149.384
6 HB3 PRO 2 HB3 PRO 2 -30.715 44.881 148.464
7 HG2 PRO 2 HG2 PRO 2 -31.990 42.522 147.799
8 HG3 PRO 2 HG3 PRO 2 -30.418 43.055 147.184
9 HD2 PRO 2 HD2 PRO 2 -31.028 41.024 149.280
10 HD3 PRO 2 HD3 PRO 2 -29.657 41.109 148.150
11 H THR 3 H THR 3 -32.000 42.257 150.881
12 HA THR 3 HA THR 3 -32.816 43.776 153.166
13 HB THR 3 HB THR 3 -34.458 42.053 153.501
14 HG1 THR 3 HG1 THR 3 -32.783 40.370 153.088
15 HG21 THR 3 HG21 THR 3 -34.133 43.431 151.113
16 HG22 THR 3 HG22 THR 3 -35.595 42.590 151.626
17 HG23 THR 3 HG23 THR 3 -34.424 41.772 150.592
18 H THR 4 H THR 4 -33.328 41.222 154.706
19 HA THR 4 HA THR 4 -30.660 40.472 155.615
20 HB THR 4 HB THR 4 -32.467 41.361 157.796
21 HG1 THR 4 HG1 THR 4 -30.971 43.162 156.195
22 HG21 THR 4 HG21 THR 4 -29.538 41.947 157.407
23 HG22 THR 4 HG22 THR 4 -30.078 40.346 157.912
24 HG23 THR 4 HG23 THR 4 -30.435 41.754 158.914
25 H THR 5 H THR 5 -30.756 38.329 155.732
26 HA THR 5 HA THR 5 -32.827 37.032 157.287
27 HB THR 5 HB THR 5 -32.702 35.619 154.777
28 HG1 THR 5 HG1 THR 5 -33.784 38.230 154.653
29 HG21 THR 5 HG21 THR 5 -35.124 35.741 154.986
30 HG22 THR 5 HG22 THR 5 -34.986 37.043 156.166
31 HG23 THR 5 HG23 THR 5 -34.425 35.421 156.573
32 HA PRO 6 HA PRO 6 -29.326 34.005 156.012
33 HB2 PRO 6 HB2 PRO 6 -27.272 35.462 154.611
34 HB3 PRO 6 HB3 PRO 6 -28.291 34.148 154.004
35 HG2 PRO 6 HG2 PRO 6 -28.405 36.780 153.178
36 HG3 PRO 6 HG3 PRO 6 -29.674 35.569 152.943
37 HD2 PRO 6 HD2 PRO 6 -29.534 37.785 154.933
38 HD3 PRO 6 HD3 PRO 6 -30.956 37.031 154.177
39 H LEU 7 H LEU 7 -28.071 33.546 157.725
40 HA LEU 7 HA LEU 7 -26.925 35.706 159.299
41 HB2 LEU 7 HB2 LEU 7 -26.232 33.724 160.782
42 HB3 LEU 7 HB3 LEU 7 -27.959 34.038 160.613
43 HG LEU 7 HG LEU 7 -26.793 32.243 158.568
44 HD11 LEU 7 HD11 LEU 7 -27.106 31.388 161.462
45 HD12 LEU 7 HD12 LEU 7 -25.588 31.473 160.568
46 HD13 LEU 7 HD13 LEU 7 -26.819 30.299 160.106
47 HD21 LEU 7 HD21 LEU 7 -29.188 31.823 160.362
48 HD22 LEU 7 HD22 LEU 7 -28.915 31.191 158.738
49 HD23 LEU 7 HD23 LEU 7 -29.256 32.906 158.972
50 H LYS 8 H LYS 8 -24.812 36.222 159.444
51 HA LYS 8 HA LYS 8 -22.571 36.294 158.945
52 HB2 LYS 8 HB2 LYS 8 -22.725 34.035 160.115
53 HB3 LYS 8 HB3 LYS 8 -22.747 33.313 158.506
54 HG2 LYS 8 HG2 LYS 8 -20.601 34.351 157.970
55 HG3 LYS 8 HG3 LYS 8 -20.586 35.180 159.528
56 HD2 LYS 8 HD2 LYS 8 -20.383 33.116 160.728
57 HD3 LYS 8 HD3 LYS 8 -20.728 32.167 159.280
58 HE2 LYS 8 HE2 LYS 8 -18.636 32.721 158.291
59 HE3 LYS 8 HE3 LYS 8 -18.346 34.019 159.449
60 HZ1 LYS 8 HZ1 LYS 8 -17.648 32.588 161.016
61 HZ2 LYS 8 HZ2 LYS 8 -17.325 31.577 159.690
62 HZ3 LYS 8 HZ3 LYS 8 -18.756 31.380 160.583
63 HN1 NH2 9 HN1 NH2 9 -24.342 34.283 156.292
64 HN2 NH2 9 HN2 NH2 9 -24.293 35.845 155.632
Start of MODEL 40
1 H1 ACE 1 H1 ACE 1 -36.241 45.515 148.536
2 H2 ACE 1 H2 ACE 1 -34.904 46.262 147.660
3 H3 ACE 1 H3 ACE 1 -35.666 47.116 149.002
4 HA PRO 2 HA PRO 2 -32.990 45.633 152.131
5 HB2 PRO 2 HB2 PRO 2 -34.808 43.854 153.483
6 HB3 PRO 2 HB3 PRO 2 -34.317 45.487 153.959
7 HG2 PRO 2 HG2 PRO 2 -36.760 44.589 152.637
8 HG3 PRO 2 HG3 PRO 2 -36.433 46.096 153.503
9 HD2 PRO 2 HD2 PRO 2 -36.742 45.972 150.785
10 HD3 PRO 2 HD3 PRO 2 -35.745 47.201 151.595
11 H THR 3 H THR 3 -31.414 44.288 151.452
12 HA THR 3 HA THR 3 -32.070 41.639 150.412
13 HB THR 3 HB THR 3 -30.117 41.779 149.283
14 HG1 THR 3 HG1 THR 3 -28.579 43.169 151.060
15 HG21 THR 3 HG21 THR 3 -31.151 44.104 149.155
16 HG22 THR 3 HG22 THR 3 -29.430 44.011 148.780
17 HG23 THR 3 HG23 THR 3 -29.957 44.601 150.355
18 H THR 4 H THR 4 -31.637 39.740 151.417
19 HA THR 4 HA THR 4 -30.929 39.871 154.246
20 HB THR 4 HB THR 4 -32.865 38.500 153.388
21 HG1 THR 4 HG1 THR 4 -31.672 38.093 155.372
22 HG21 THR 4 HG21 THR 4 -31.505 37.715 151.358
23 HG22 THR 4 HG22 THR 4 -32.469 36.491 152.183
24 HG23 THR 4 HG23 THR 4 -30.729 36.578 152.459
25 H THR 5 H THR 5 -29.680 37.611 154.828
26 HA THR 5 HA THR 5 -27.450 37.102 153.049
27 HB THR 5 HB THR 5 -26.153 38.734 153.918
28 HG1 THR 5 HG1 THR 5 -25.597 38.080 156.284
29 HG21 THR 5 HG21 THR 5 -26.748 39.815 156.163
30 HG22 THR 5 HG22 THR 5 -28.205 38.821 156.131
31 HG23 THR 5 HG23 THR 5 -27.922 40.011 154.861
32 HA PRO 6 HA PRO 6 -27.300 33.093 154.768
33 HB2 PRO 6 HB2 PRO 6 -24.592 33.210 155.744
34 HB3 PRO 6 HB3 PRO 6 -25.193 32.431 154.272
35 HG2 PRO 6 HG2 PRO 6 -23.854 35.006 154.601
36 HG3 PRO 6 HG3 PRO 6 -24.064 34.018 153.148
37 HD2 PRO 6 HD2 PRO 6 -25.381 36.386 153.553
38 HD3 PRO 6 HD3 PRO 6 -26.040 35.064 152.563
39 H LEU 7 H LEU 7 -26.685 31.881 156.856
40 HA LEU 7 HA LEU 7 -27.881 33.175 159.065
41 HB2 LEU 7 HB2 LEU 7 -26.429 30.597 158.639
42 HB3 LEU 7 HB3 LEU 7 -26.703 31.147 160.293
43 HG LEU 7 HG LEU 7 -29.109 31.328 159.864
44 HD11 LEU 7 HD11 LEU 7 -28.263 30.555 157.068
45 HD12 LEU 7 HD12 LEU 7 -29.226 31.943 157.572
46 HD13 LEU 7 HD13 LEU 7 -29.916 30.322 157.636
47 HD21 LEU 7 HD21 LEU 7 -29.606 28.966 159.684
48 HD22 LEU 7 HD22 LEU 7 -28.073 29.125 160.544
49 HD23 LEU 7 HD23 LEU 7 -28.085 28.661 158.843
50 H LYS 8 H LYS 8 -26.558 32.903 161.297
51 HA LYS 8 HA LYS 8 -23.821 33.854 161.090
52 HB2 LYS 8 HB2 LYS 8 -25.602 35.824 160.902
53 HB3 LYS 8 HB3 LYS 8 -25.618 35.646 162.657
54 HG2 LYS 8 HG2 LYS 8 -23.142 35.858 162.680
55 HG3 LYS 8 HG3 LYS 8 -23.165 36.112 160.934
56 HD2 LYS 8 HD2 LYS 8 -24.687 38.079 161.309
57 HD3 LYS 8 HD3 LYS 8 -24.446 37.872 163.044
58 HE2 LYS 8 HE2 LYS 8 -22.673 39.077 161.061
59 HE3 LYS 8 HE3 LYS 8 -22.629 39.195 162.820
60 HZ1 LYS 8 HZ1 LYS 8 -21.573 36.958 161.178
61 HZ2 LYS 8 HZ2 LYS 8 -21.602 36.985 162.876
62 HZ3 LYS 8 HZ3 LYS 8 -20.654 38.107 162.021
63 HN1 NH2 9 HN1 NH2 9 -25.389 31.880 164.115
64 HN2 NH2 9 HN2 NH2 9 -25.392 31.579 162.444
Start of MODEL 41
1 H1 ACE 1 H1 ACE 1 -32.814 43.338 145.693
2 H2 ACE 1 H2 ACE 1 -33.756 41.861 145.899
3 H3 ACE 1 H3 ACE 1 -32.001 41.774 145.757
4 HA PRO 2 HA PRO 2 -33.765 41.879 150.274
5 HB2 PRO 2 HB2 PRO 2 -32.004 39.647 150.738
6 HB3 PRO 2 HB3 PRO 2 -33.772 39.683 150.824
7 HG2 PRO 2 HG2 PRO 2 -32.032 38.709 148.691
8 HG3 PRO 2 HG3 PRO 2 -33.740 38.368 149.001
9 HD2 PRO 2 HD2 PRO 2 -32.876 39.910 146.907
10 HD3 PRO 2 HD3 PRO 2 -34.465 40.118 147.678
11 H THR 3 H THR 3 -32.251 41.876 152.258
12 HA THR 3 HA THR 3 -29.489 42.607 151.690
13 HB THR 3 HB THR 3 -30.643 44.656 153.380
14 HG1 THR 3 HG1 THR 3 -31.569 44.506 150.705
15 HG21 THR 3 HG21 THR 3 -28.439 44.753 152.268
16 HG22 THR 3 HG22 THR 3 -29.461 46.106 151.783
17 HG23 THR 3 HG23 THR 3 -29.238 44.737 150.696
18 H THR 4 H THR 4 -32.106 42.228 154.031
19 HA THR 4 HA THR 4 -30.218 41.883 156.230
20 HB THR 4 HB THR 4 -32.169 41.769 157.647
21 HG1 THR 4 HG1 THR 4 -33.762 40.741 156.742
22 HG21 THR 4 HG21 THR 4 -32.699 43.975 157.447
23 HG22 THR 4 HG22 THR 4 -33.158 43.812 155.751
24 HG23 THR 4 HG23 THR 4 -31.457 43.958 156.195
25 H THR 5 H THR 5 -31.511 39.961 157.737
26 HA THR 5 HA THR 5 -31.627 37.692 158.071
27 HB THR 5 HB THR 5 -32.034 37.342 155.109
28 HG1 THR 5 HG1 THR 5 -33.513 38.790 156.886
29 HG21 THR 5 HG21 THR 5 -31.897 35.336 156.533
30 HG22 THR 5 HG22 THR 5 -33.528 35.545 155.897
31 HG23 THR 5 HG23 THR 5 -33.172 35.981 157.567
32 HA PRO 6 HA PRO 6 -27.316 37.278 156.438
33 HB2 PRO 6 HB2 PRO 6 -26.404 37.023 159.159
34 HB3 PRO 6 HB3 PRO 6 -26.076 38.329 158.011
35 HG2 PRO 6 HG2 PRO 6 -27.613 38.546 160.296
36 HG3 PRO 6 HG3 PRO 6 -27.638 39.665 158.924
37 HD2 PRO 6 HD2 PRO 6 -29.586 37.524 159.645
38 HD3 PRO 6 HD3 PRO 6 -29.857 39.062 158.793
39 H LEU 7 H LEU 7 -25.812 35.444 156.713
40 HA LEU 7 HA LEU 7 -27.284 32.995 157.404
41 HB2 LEU 7 HB2 LEU 7 -24.634 33.220 155.967
42 HB3 LEU 7 HB3 LEU 7 -25.719 31.829 156.019
43 HG LEU 7 HG LEU 7 -27.330 33.907 155.088
44 HD11 LEU 7 HD11 LEU 7 -24.623 33.983 153.720
45 HD12 LEU 7 HD12 LEU 7 -25.290 35.267 154.728
46 HD13 LEU 7 HD13 LEU 7 -26.067 34.851 153.200
47 HD21 LEU 7 HD21 LEU 7 -27.210 32.651 152.946
48 HD22 LEU 7 HD22 LEU 7 -27.370 31.568 154.330
49 HD23 LEU 7 HD23 LEU 7 -25.801 31.779 153.553
50 H LYS 8 H LYS 8 -24.002 34.351 157.802
51 HA LYS 8 HA LYS 8 -23.906 33.390 160.541
52 HB2 LYS 8 HB2 LYS 8 -22.981 31.679 158.571
53 HB3 LYS 8 HB3 LYS 8 -21.518 32.497 159.120
54 HG2 LYS 8 HG2 LYS 8 -23.538 31.236 160.993
55 HG3 LYS 8 HG3 LYS 8 -22.079 30.419 160.430
56 HD2 LYS 8 HD2 LYS 8 -20.748 32.370 161.334
57 HD3 LYS 8 HD3 LYS 8 -22.238 32.959 162.072
58 HE2 LYS 8 HE2 LYS 8 -21.559 31.683 163.840
59 HE3 LYS 8 HE3 LYS 8 -22.270 30.369 162.902
60 HZ1 LYS 8 HZ1 LYS 8 -19.488 30.978 163.420
61 HZ2 LYS 8 HZ2 LYS 8 -19.836 30.531 161.818
62 HZ3 LYS 8 HZ3 LYS 8 -20.232 29.488 163.099
63 HN1 NH2 9 HN1 NH2 9 -21.330 34.817 161.468
64 HN2 NH2 9 HN2 NH2 9 -20.497 34.191 160.127
Start of MODEL 42
1 H1 ACE 1 H1 ACE 1 -32.775 46.960 152.067
2 H2 ACE 1 H2 ACE 1 -31.813 47.502 150.692
3 H3 ACE 1 H3 ACE 1 -31.151 46.321 151.821
4 HA PRO 2 HA PRO 2 -33.066 44.010 148.286
5 HB2 PRO 2 HB2 PRO 2 -30.604 42.532 148.029
6 HB3 PRO 2 HB3 PRO 2 -31.318 43.681 146.887
7 HG2 PRO 2 HG2 PRO 2 -28.995 44.080 148.326
8 HG3 PRO 2 HG3 PRO 2 -29.959 45.345 147.551
9 HD2 PRO 2 HD2 PRO 2 -29.815 44.588 150.432
10 HD3 PRO 2 HD3 PRO 2 -30.146 46.171 149.692
11 H THR 3 H THR 3 -30.591 42.434 150.335
12 HA THR 3 HA THR 3 -32.462 40.212 150.806
13 HB THR 3 HB THR 3 -29.640 40.151 151.773
14 HG1 THR 3 HG1 THR 3 -30.430 40.550 149.187
15 HG21 THR 3 HG21 THR 3 -31.348 38.298 152.065
16 HG22 THR 3 HG22 THR 3 -29.853 37.816 151.265
17 HG23 THR 3 HG23 THR 3 -31.312 38.095 150.314
18 H THR 4 H THR 4 -32.610 39.316 152.983
19 HA THR 4 HA THR 4 -31.857 41.065 155.192
20 HB THR 4 HB THR 4 -34.751 40.280 154.928
21 HG1 THR 4 HG1 THR 4 -34.988 41.784 153.510
22 HG21 THR 4 HG21 THR 4 -33.736 42.720 156.311
23 HG22 THR 4 HG22 THR 4 -33.408 41.160 157.065
24 HG23 THR 4 HG23 THR 4 -35.071 41.654 156.748
25 H THR 5 H THR 5 -30.777 38.645 154.746
26 HA THR 5 HA THR 5 -31.679 37.134 157.049
27 HB THR 5 HB THR 5 -31.462 35.080 155.210
28 HG1 THR 5 HG1 THR 5 -32.252 35.733 153.382
29 HG21 THR 5 HG21 THR 5 -33.962 36.490 156.186
30 HG22 THR 5 HG22 THR 5 -33.062 35.264 157.080
31 HG23 THR 5 HG23 THR 5 -33.884 34.836 155.579
32 HA PRO 6 HA PRO 6 -27.138 37.013 156.194
33 HB2 PRO 6 HB2 PRO 6 -26.702 37.890 158.904
34 HB3 PRO 6 HB3 PRO 6 -26.360 38.761 157.403
35 HG2 PRO 6 HG2 PRO 6 -28.298 39.441 159.250
36 HG3 PRO 6 HG3 PRO 6 -28.235 39.993 157.571
37 HD2 PRO 6 HD2 PRO 6 -29.958 37.891 158.798
38 HD3 PRO 6 HD3 PRO 6 -30.286 38.959 157.414
39 H LEU 7 H LEU 7 -25.708 35.405 156.835
40 HA LEU 7 HA LEU 7 -26.814 33.393 158.681
41 HB2 LEU 7 HB2 LEU 7 -26.147 32.808 156.281
42 HB3 LEU 7 HB3 LEU 7 -24.477 33.020 156.809
43 HG LEU 7 HG LEU 7 -25.282 31.429 158.791
44 HD11 LEU 7 HD11 LEU 7 -27.625 31.496 157.554
45 HD12 LEU 7 HD12 LEU 7 -27.047 30.004 158.294
46 HD13 LEU 7 HD13 LEU 7 -26.888 30.244 156.554
47 HD21 LEU 7 HD21 LEU 7 -24.326 30.814 156.015
48 HD22 LEU 7 HD22 LEU 7 -24.706 29.474 157.096
49 HD23 LEU 7 HD23 LEU 7 -23.474 30.651 157.550
50 H LYS 8 H LYS 8 -23.537 34.480 157.767
51 HA LYS 8 HA LYS 8 -22.873 35.021 160.543
52 HB2 LYS 8 HB2 LYS 8 -22.403 32.446 159.523
53 HB3 LYS 8 HB3 LYS 8 -20.836 33.255 159.501
54 HG2 LYS 8 HG2 LYS 8 -21.214 33.950 161.875
55 HG3 LYS 8 HG3 LYS 8 -22.700 32.999 161.879
56 HD2 LYS 8 HD2 LYS 8 -21.285 31.003 161.177
57 HD3 LYS 8 HD3 LYS 8 -19.867 31.994 161.530
58 HE2 LYS 8 HE2 LYS 8 -20.431 30.632 163.485
59 HE3 LYS 8 HE3 LYS 8 -20.712 32.336 163.843
60 HZ1 LYS 8 HZ1 LYS 8 -22.539 30.854 164.550
61 HZ2 LYS 8 HZ2 LYS 8 -22.815 30.455 162.921
62 HZ3 LYS 8 HZ3 LYS 8 -23.036 32.053 163.457
63 HN1 NH2 9 HN1 NH2 9 -21.297 36.993 157.639
64 HN2 NH2 9 HN2 NH2 9 -22.781 36.170 157.582
Start of MODEL 43
1 H1 ACE 1 H1 ACE 1 -34.661 39.951 147.492
2 H2 ACE 1 H2 ACE 1 -35.795 40.182 148.823
3 H3 ACE 1 H3 ACE 1 -34.687 38.809 148.836
4 HA PRO 2 HA PRO 2 -31.608 42.607 149.154
5 HB2 PRO 2 HB2 PRO 2 -33.267 44.882 149.757
6 HB3 PRO 2 HB3 PRO 2 -32.187 44.652 148.375
7 HG2 PRO 2 HG2 PRO 2 -35.088 44.360 148.538
8 HG3 PRO 2 HG3 PRO 2 -34.051 44.566 147.120
9 HD2 PRO 2 HD2 PRO 2 -35.321 42.213 147.719
10 HD3 PRO 2 HD3 PRO 2 -33.792 42.291 146.815
11 H THR 3 H THR 3 -30.928 43.792 151.129
12 HA THR 3 HA THR 3 -30.781 44.074 153.408
13 HB THR 3 HB THR 3 -33.614 43.238 153.830
14 HG1 THR 3 HG1 THR 3 -32.825 45.694 152.657
15 HG21 THR 3 HG21 THR 3 -32.005 45.615 154.797
16 HG22 THR 3 HG22 THR 3 -32.102 44.075 155.651
17 HG23 THR 3 HG23 THR 3 -33.552 45.054 155.431
18 H THR 4 H THR 4 -30.197 41.530 152.175
19 HA THR 4 HA THR 4 -31.183 39.514 154.040
20 HB THR 4 HB THR 4 -29.214 39.261 151.755
21 HG1 THR 4 HG1 THR 4 -31.938 39.409 151.904
22 HG21 THR 4 HG21 THR 4 -29.914 36.827 151.959
23 HG22 THR 4 HG22 THR 4 -30.659 37.257 153.499
24 HG23 THR 4 HG23 THR 4 -28.918 37.437 153.281
25 H THR 5 H THR 5 -30.067 38.708 155.728
26 HA THR 5 HA THR 5 -27.605 40.030 156.502
27 HB THR 5 HB THR 5 -28.198 39.439 158.593
28 HG1 THR 5 HG1 THR 5 -28.932 37.161 158.930
29 HG21 THR 5 HG21 THR 5 -30.524 38.947 158.921
30 HG22 THR 5 HG22 THR 5 -30.648 38.188 157.335
31 HG23 THR 5 HG23 THR 5 -30.415 39.932 157.462
32 HA PRO 6 HA PRO 6 -24.756 36.843 155.483
33 HB2 PRO 6 HB2 PRO 6 -23.599 36.444 158.093
34 HB3 PRO 6 HB3 PRO 6 -22.984 37.437 156.762
35 HG2 PRO 6 HG2 PRO 6 -23.960 38.391 159.165
36 HG3 PRO 6 HG3 PRO 6 -23.770 39.333 157.679
37 HD2 PRO 6 HD2 PRO 6 -26.247 38.184 158.874
38 HD3 PRO 6 HD3 PRO 6 -26.044 39.636 157.869
39 H LEU 7 H LEU 7 -27.406 35.900 156.530
40 HA LEU 7 HA LEU 7 -28.441 33.966 157.244
41 HB2 LEU 7 HB2 LEU 7 -26.842 33.416 155.110
42 HB3 LEU 7 HB3 LEU 7 -26.223 32.266 156.296
43 HG LEU 7 HG LEU 7 -29.154 32.595 155.599
44 HD11 LEU 7 HD11 LEU 7 -27.191 30.427 154.791
45 HD12 LEU 7 HD12 LEU 7 -27.819 31.676 153.716
46 HD13 LEU 7 HD13 LEU 7 -28.909 30.469 154.398
47 HD21 LEU 7 HD21 LEU 7 -29.346 30.441 156.846
48 HD22 LEU 7 HD22 LEU 7 -28.774 31.760 157.869
49 HD23 LEU 7 HD23 LEU 7 -27.635 30.557 157.259
50 H LYS 8 H LYS 8 -26.739 35.209 159.200
51 HA LYS 8 HA LYS 8 -26.394 32.933 160.971
52 HB2 LYS 8 HB2 LYS 8 -24.193 33.469 159.584
53 HB3 LYS 8 HB3 LYS 8 -24.019 34.732 160.803
54 HG2 LYS 8 HG2 LYS 8 -24.244 33.044 162.589
55 HG3 LYS 8 HG3 LYS 8 -24.414 31.779 161.371
56 HD2 LYS 8 HD2 LYS 8 -22.042 33.536 161.083
57 HD3 LYS 8 HD3 LYS 8 -22.032 32.456 162.478
58 HE2 LYS 8 HE2 LYS 8 -22.445 30.528 161.018
59 HE3 LYS 8 HE3 LYS 8 -22.534 31.590 159.615
60 HZ1 LYS 8 HZ1 LYS 8 -20.319 31.738 159.500
61 HZ2 LYS 8 HZ2 LYS 8 -20.289 30.377 160.515
62 HZ3 LYS 8 HZ3 LYS 8 -20.137 31.934 161.174
63 HN1 NH2 9 HN1 NH2 9 -24.782 34.753 162.938
64 HN2 NH2 9 HN2 NH2 9 -26.257 35.062 163.719
Start of MODEL 44
1 H1 ACE 1 H1 ACE 1 -31.487 41.778 145.373
2 H2 ACE 1 H2 ACE 1 -32.692 43.057 145.233
3 H3 ACE 1 H3 ACE 1 -33.205 41.384 145.444
4 HA PRO 2 HA PRO 2 -32.891 44.031 149.494
5 HB2 PRO 2 HB2 PRO 2 -35.503 42.969 150.083
6 HB3 PRO 2 HB3 PRO 2 -35.044 44.657 149.809
7 HG2 PRO 2 HG2 PRO 2 -36.305 42.752 147.990
8 HG3 PRO 2 HG3 PRO 2 -36.237 44.519 147.908
9 HD2 PRO 2 HD2 PRO 2 -34.851 42.886 146.200
10 HD3 PRO 2 HD3 PRO 2 -34.301 44.518 146.648
11 H THR 3 H THR 3 -31.780 42.957 151.015
12 HA THR 3 HA THR 3 -32.739 40.578 152.254
13 HB THR 3 HB THR 3 -31.894 39.579 150.150
14 HG1 THR 3 HG1 THR 3 -30.546 38.075 151.195
15 HG21 THR 3 HG21 THR 3 -29.145 40.454 151.034
16 HG22 THR 3 HG22 THR 3 -30.104 41.410 149.905
17 HG23 THR 3 HG23 THR 3 -29.628 39.765 149.484
18 H THR 4 H THR 4 -31.799 40.307 154.221
19 HA THR 4 HA THR 4 -29.200 41.505 154.791
20 HB THR 4 HB THR 4 -31.310 42.276 156.724
21 HG1 THR 4 HG1 THR 4 -32.030 42.667 154.435
22 HG21 THR 4 HG21 THR 4 -29.888 44.131 157.068
23 HG22 THR 4 HG22 THR 4 -29.136 43.956 155.482
24 HG23 THR 4 HG23 THR 4 -28.781 42.794 156.760
25 H THR 5 H THR 5 -29.651 41.450 157.651
26 HA THR 5 HA THR 5 -29.266 39.963 159.368
27 HB THR 5 HB THR 5 -30.965 38.030 159.384
28 HG1 THR 5 HG1 THR 5 -32.554 39.290 157.620
29 HG21 THR 5 HG21 THR 5 -31.761 39.683 160.728
30 HG22 THR 5 HG22 THR 5 -32.867 39.988 159.388
31 HG23 THR 5 HG23 THR 5 -31.395 40.946 159.553
32 HA PRO 6 HA PRO 6 -26.945 37.295 156.076
33 HB2 PRO 6 HB2 PRO 6 -24.574 38.063 157.518
34 HB3 PRO 6 HB3 PRO 6 -25.010 38.445 155.846
35 HG2 PRO 6 HG2 PRO 6 -25.213 40.097 158.246
36 HG3 PRO 6 HG3 PRO 6 -25.217 40.573 156.542
37 HD2 PRO 6 HD2 PRO 6 -27.443 40.689 158.134
38 HD3 PRO 6 HD3 PRO 6 -27.518 40.443 156.374
39 H LEU 7 H LEU 7 -27.610 35.340 156.909
40 HA LEU 7 HA LEU 7 -26.940 34.573 159.631
41 HB2 LEU 7 HB2 LEU 7 -28.142 32.501 159.102
42 HB3 LEU 7 HB3 LEU 7 -29.102 33.910 158.646
43 HG LEU 7 HG LEU 7 -27.597 33.423 156.372
44 HD11 LEU 7 HD11 LEU 7 -27.783 31.047 155.911
45 HD12 LEU 7 HD12 LEU 7 -28.593 30.771 157.452
46 HD13 LEU 7 HD13 LEU 7 -26.897 31.249 157.421
47 HD21 LEU 7 HD21 LEU 7 -30.391 32.564 157.170
48 HD22 LEU 7 HD22 LEU 7 -29.789 32.459 155.516
49 HD23 LEU 7 HD23 LEU 7 -29.924 34.029 156.307
50 H LYS 8 H LYS 8 -25.529 32.927 160.221
51 HA LYS 8 HA LYS 8 -23.316 32.500 158.385
52 HB2 LYS 8 HB2 LYS 8 -22.993 33.022 160.822
53 HB3 LYS 8 HB3 LYS 8 -23.667 31.434 161.195
54 HG2 LYS 8 HG2 LYS 8 -21.609 30.567 160.914
55 HG3 LYS 8 HG3 LYS 8 -21.726 30.982 159.203
56 HD2 LYS 8 HD2 LYS 8 -19.715 32.004 160.082
57 HD3 LYS 8 HD3 LYS 8 -20.890 33.285 159.777
58 HE2 LYS 8 HE2 LYS 8 -20.694 33.914 161.928
59 HE3 LYS 8 HE3 LYS 8 -21.388 32.366 162.405
60 HZ1 LYS 8 HZ1 LYS 8 -19.173 32.825 163.380
61 HZ2 LYS 8 HZ2 LYS 8 -18.510 32.784 161.817
62 HZ3 LYS 8 HZ3 LYS 8 -19.231 31.392 162.474
63 HN1 NH2 9 HN1 NH2 9 -25.035 30.999 156.938
64 HN2 NH2 9 HN2 NH2 9 -24.150 29.557 157.058
Start of MODEL 45
1 H1 ACE 1 H1 ACE 1 -29.415 44.800 157.056
2 H2 ACE 1 H2 ACE 1 -30.639 45.935 156.484
3 H3 ACE 1 H3 ACE 1 -29.017 45.962 155.790
4 HA PRO 2 HA PRO 2 -32.335 43.367 153.361
5 HB2 PRO 2 HB2 PRO 2 -31.291 44.723 151.043
6 HB3 PRO 2 HB3 PRO 2 -32.922 44.820 151.726
7 HG2 PRO 2 HG2 PRO 2 -30.665 46.663 152.011
8 HG3 PRO 2 HG3 PRO 2 -32.395 46.947 152.255
9 HD2 PRO 2 HD2 PRO 2 -30.621 46.841 154.322
10 HD3 PRO 2 HD3 PRO 2 -32.317 46.332 154.490
11 H THR 3 H THR 3 -31.257 41.430 153.516
12 HA THR 3 HA THR 3 -29.031 41.025 151.634
13 HB THR 3 HB THR 3 -28.098 39.437 153.489
14 HG1 THR 3 HG1 THR 3 -29.894 39.809 154.881
15 HG21 THR 3 HG21 THR 3 -27.021 41.608 154.553
16 HG22 THR 3 HG22 THR 3 -27.863 42.410 153.226
17 HG23 THR 3 HG23 THR 3 -26.668 41.159 152.884
18 H THR 4 H THR 4 -28.518 38.444 151.863
19 HA THR 4 HA THR 4 -31.016 37.193 151.019
20 HB THR 4 HB THR 4 -28.246 35.986 151.044
21 HG1 THR 4 HG1 THR 4 -29.579 37.529 149.076
22 HG21 THR 4 HG21 THR 4 -30.100 35.268 148.913
23 HG22 THR 4 HG22 THR 4 -30.757 34.902 150.508
24 HG23 THR 4 HG23 THR 4 -29.205 34.223 150.017
25 H THR 5 H THR 5 -32.252 36.237 152.498
26 HA THR 5 HA THR 5 -32.913 35.082 154.373
27 HB THR 5 HB THR 5 -30.884 33.282 154.897
28 HG1 THR 5 HG1 THR 5 -29.578 33.510 153.273
29 HG21 THR 5 HG21 THR 5 -33.228 33.256 152.997
30 HG22 THR 5 HG22 THR 5 -33.121 32.551 154.609
31 HG23 THR 5 HG23 THR 5 -32.238 31.822 153.268
32 HA PRO 6 HA PRO 6 -30.969 36.711 157.951
33 HB2 PRO 6 HB2 PRO 6 -31.539 34.456 159.660
34 HB3 PRO 6 HB3 PRO 6 -32.430 35.978 159.516
35 HG2 PRO 6 HG2 PRO 6 -33.354 33.503 158.722
36 HG3 PRO 6 HG3 PRO 6 -33.990 35.062 158.179
37 HD2 PRO 6 HD2 PRO 6 -32.177 33.168 156.752
38 HD3 PRO 6 HD3 PRO 6 -33.392 34.287 156.092
39 H LEU 7 H LEU 7 -28.756 36.753 157.555
40 HA LEU 7 HA LEU 7 -27.118 35.026 159.116
41 HB2 LEU 7 HB2 LEU 7 -27.610 33.518 157.182
42 HB3 LEU 7 HB3 LEU 7 -26.842 34.699 156.121
43 HG LEU 7 HG LEU 7 -24.759 34.508 157.489
44 HD11 LEU 7 HD11 LEU 7 -26.564 32.726 159.037
45 HD12 LEU 7 HD12 LEU 7 -25.224 33.728 159.593
46 HD13 LEU 7 HD13 LEU 7 -24.904 32.170 158.832
47 HD21 LEU 7 HD21 LEU 7 -24.200 33.017 155.896
48 HD22 LEU 7 HD22 LEU 7 -25.896 32.580 155.686
49 HD23 LEU 7 HD23 LEU 7 -24.908 31.734 156.876
50 H LYS 8 H LYS 8 -26.507 37.130 159.842
51 HA LYS 8 HA LYS 8 -25.121 38.960 159.927
52 HB2 LYS 8 HB2 LYS 8 -23.657 37.767 157.573
53 HB3 LYS 8 HB3 LYS 8 -23.013 38.802 158.848
54 HG2 LYS 8 HG2 LYS 8 -24.079 36.687 160.271
55 HG3 LYS 8 HG3 LYS 8 -23.426 35.897 158.836
56 HD2 LYS 8 HD2 LYS 8 -21.276 37.171 159.227
57 HD3 LYS 8 HD3 LYS 8 -21.945 37.693 160.774
58 HE2 LYS 8 HE2 LYS 8 -22.235 35.319 161.430
59 HE3 LYS 8 HE3 LYS 8 -21.511 34.820 159.902
60 HZ1 LYS 8 HZ1 LYS 8 -19.611 34.888 161.051
61 HZ2 LYS 8 HZ2 LYS 8 -20.259 35.862 162.283
62 HZ3 LYS 8 HZ3 LYS 8 -19.703 36.569 160.841
63 HN1 NH2 9 HN1 NH2 9 -27.454 39.951 157.378
64 HN2 NH2 9 HN2 NH2 9 -26.841 38.519 156.705
Start of MODEL 46
1 H1 ACE 1 H1 ACE 1 -28.112 46.315 152.976
2 H2 ACE 1 H2 ACE 1 -27.240 44.829 153.353
3 H3 ACE 1 H3 ACE 1 -28.405 45.485 154.504
4 HA PRO 2 HA PRO 2 -31.271 44.313 150.706
5 HB2 PRO 2 HB2 PRO 2 -29.628 42.680 148.993
6 HB3 PRO 2 HB3 PRO 2 -30.441 44.203 148.603
7 HG2 PRO 2 HG2 PRO 2 -27.645 43.705 149.277
8 HG3 PRO 2 HG3 PRO 2 -28.383 45.099 148.476
9 HD2 PRO 2 HD2 PRO 2 -27.382 45.192 151.025
10 HD3 PRO 2 HD3 PRO 2 -28.706 46.236 150.461
11 H THR 3 H THR 3 -32.536 42.685 151.384
12 HA THR 3 HA THR 3 -33.231 40.627 152.134
13 HB THR 3 HB THR 3 -30.674 39.264 151.536
14 HG1 THR 3 HG1 THR 3 -30.576 39.854 149.525
15 HG21 THR 3 HG21 THR 3 -32.809 38.106 152.088
16 HG22 THR 3 HG22 THR 3 -32.199 37.670 150.493
17 HG23 THR 3 HG23 THR 3 -33.534 38.811 150.644
18 H THR 4 H THR 4 -32.904 39.111 153.892
19 HA THR 4 HA THR 4 -30.617 39.597 155.648
20 HB THR 4 HB THR 4 -31.794 40.452 157.449
21 HG1 THR 4 HG1 THR 4 -33.380 38.850 157.501
22 HG21 THR 4 HG21 THR 4 -33.407 41.433 155.077
23 HG22 THR 4 HG22 THR 4 -31.840 42.073 155.573
24 HG23 THR 4 HG23 THR 4 -33.239 42.253 156.629
25 H THR 5 H THR 5 -31.709 37.342 154.062
26 HA THR 5 HA THR 5 -32.794 35.489 156.011
27 HB THR 5 HB THR 5 -31.844 34.192 153.627
28 HG1 THR 5 HG1 THR 5 -33.572 35.648 152.466
29 HG21 THR 5 HG21 THR 5 -34.260 33.734 153.370
30 HG22 THR 5 HG22 THR 5 -34.611 34.921 154.626
31 HG23 THR 5 HG23 THR 5 -33.724 33.451 155.026
32 HA PRO 6 HA PRO 6 -28.386 33.664 155.504
33 HB2 PRO 6 HB2 PRO 6 -26.615 35.715 154.523
34 HB3 PRO 6 HB3 PRO 6 -27.059 34.189 153.745
35 HG2 PRO 6 HG2 PRO 6 -27.774 36.706 152.864
36 HG3 PRO 6 HG3 PRO 6 -28.561 35.190 152.400
37 HD2 PRO 6 HD2 PRO 6 -29.463 37.263 154.346
38 HD3 PRO 6 HD3 PRO 6 -30.430 36.176 153.323
39 H LEU 7 H LEU 7 -27.266 33.533 157.372
40 HA LEU 7 HA LEU 7 -26.606 36.028 158.808
41 HB2 LEU 7 HB2 LEU 7 -27.166 33.786 160.581
42 HB3 LEU 7 HB3 LEU 7 -27.787 35.435 160.629
43 HG LEU 7 HG LEU 7 -29.325 34.780 158.706
44 HD11 LEU 7 HD11 LEU 7 -29.206 32.711 157.820
45 HD12 LEU 7 HD12 LEU 7 -29.298 31.963 159.415
46 HD13 LEU 7 HD13 LEU 7 -27.737 32.465 158.763
47 HD21 LEU 7 HD21 LEU 7 -30.494 33.044 160.537
48 HD22 LEU 7 HD22 LEU 7 -30.694 34.796 160.508
49 HD23 LEU 7 HD23 LEU 7 -29.464 34.065 161.539
50 H LYS 8 H LYS 8 -24.714 36.002 160.019
51 HA LYS 8 HA LYS 8 -23.121 33.579 160.197
52 HB2 LYS 8 HB2 LYS 8 -21.162 34.963 159.109
53 HB3 LYS 8 HB3 LYS 8 -22.288 34.068 158.090
54 HG2 LYS 8 HG2 LYS 8 -23.539 36.039 157.575
55 HG3 LYS 8 HG3 LYS 8 -22.723 36.967 158.835
56 HD2 LYS 8 HD2 LYS 8 -20.580 36.718 157.613
57 HD3 LYS 8 HD3 LYS 8 -21.424 35.842 156.336
58 HE2 LYS 8 HE2 LYS 8 -21.695 37.883 155.381
59 HE3 LYS 8 HE3 LYS 8 -22.966 38.106 156.584
60 HZ1 LYS 8 HZ1 LYS 8 -21.272 39.027 158.087
61 HZ2 LYS 8 HZ2 LYS 8 -21.455 39.947 156.670
62 HZ3 LYS 8 HZ3 LYS 8 -20.120 38.910 156.848
63 HN1 NH2 9 HN1 NH2 9 -23.438 37.114 161.244
64 HN2 NH2 9 HN2 NH2 9 -21.749 37.180 161.400
Start of MODEL 47
1 H1 ACE 1 H1 ACE 1 -36.932 40.849 150.770
2 H2 ACE 1 H2 ACE 1 -37.088 41.721 152.296
3 H3 ACE 1 H3 ACE 1 -35.705 40.660 152.022
4 HA PRO 2 HA PRO 2 -34.461 44.969 150.845
5 HB2 PRO 2 HB2 PRO 2 -32.133 44.663 152.518
6 HB3 PRO 2 HB3 PRO 2 -33.507 45.758 152.740
7 HG2 PRO 2 HG2 PRO 2 -32.902 43.594 154.347
8 HG3 PRO 2 HG3 PRO 2 -34.469 44.410 154.261
9 HD2 PRO 2 HD2 PRO 2 -33.627 41.817 153.053
10 HD3 PRO 2 HD3 PRO 2 -35.234 42.337 153.612
11 H THR 3 H THR 3 -31.991 42.503 151.632
12 HA THR 3 HA THR 3 -31.176 42.356 148.841
13 HB THR 3 HB THR 3 -28.861 42.832 150.584
14 HG1 THR 3 HG1 THR 3 -29.383 44.751 151.231
15 HG21 THR 3 HG21 THR 3 -28.135 44.119 148.651
16 HG22 THR 3 HG22 THR 3 -29.763 44.084 147.976
17 HG23 THR 3 HG23 THR 3 -28.827 42.594 148.096
18 H THR 4 H THR 4 -29.836 41.593 152.067
19 HA THR 4 HA THR 4 -30.121 38.740 151.528
20 HB THR 4 HB THR 4 -27.422 40.020 152.021
21 HG1 THR 4 HG1 THR 4 -27.259 39.904 149.949
22 HG21 THR 4 HG21 THR 4 -26.928 37.417 151.453
23 HG22 THR 4 HG22 THR 4 -28.468 37.260 152.301
24 HG23 THR 4 HG23 THR 4 -27.097 38.032 153.097
25 H THR 5 H THR 5 -30.505 37.618 153.355
26 HA THR 5 HA THR 5 -30.691 39.084 155.849
27 HB THR 5 HB THR 5 -32.201 37.107 154.790
28 HG1 THR 5 HG1 THR 5 -33.143 37.882 156.490
29 HG21 THR 5 HG21 THR 5 -31.750 35.006 155.813
30 HG22 THR 5 HG22 THR 5 -30.528 35.702 156.877
31 HG23 THR 5 HG23 THR 5 -30.207 35.544 155.150
32 HA PRO 6 HA PRO 6 -27.010 37.618 157.731
33 HB2 PRO 6 HB2 PRO 6 -28.198 36.981 160.279
34 HB3 PRO 6 HB3 PRO 6 -27.322 38.447 159.815
35 HG2 PRO 6 HG2 PRO 6 -30.020 38.302 160.388
36 HG3 PRO 6 HG3 PRO 6 -29.223 39.608 159.499
37 HD2 PRO 6 HD2 PRO 6 -30.871 37.353 158.454
38 HD3 PRO 6 HD3 PRO 6 -30.654 38.994 157.803
39 H LEU 7 H LEU 7 -25.836 35.764 157.925
40 HA LEU 7 HA LEU 7 -27.327 33.225 157.909
41 HB2 LEU 7 HB2 LEU 7 -24.484 33.880 157.100
42 HB3 LEU 7 HB3 LEU 7 -25.189 32.263 157.062
43 HG LEU 7 HG LEU 7 -26.786 34.364 155.721
44 HD11 LEU 7 HD11 LEU 7 -24.568 35.087 155.024
45 HD12 LEU 7 HD12 LEU 7 -25.340 34.248 153.679
46 HD13 LEU 7 HD13 LEU 7 -24.110 33.428 154.641
47 HD21 LEU 7 HD21 LEU 7 -25.834 31.614 154.860
48 HD22 LEU 7 HD22 LEU 7 -27.123 32.556 154.112
49 HD23 LEU 7 HD23 LEU 7 -27.328 31.922 155.746
50 H LYS 8 H LYS 8 -24.279 34.526 159.247
51 HA LYS 8 HA LYS 8 -24.262 32.486 161.317
52 HB2 LYS 8 HB2 LYS 8 -22.218 33.523 160.065
53 HB3 LYS 8 HB3 LYS 8 -22.389 34.830 161.239
54 HG2 LYS 8 HG2 LYS 8 -21.018 33.467 162.477
55 HG3 LYS 8 HG3 LYS 8 -22.560 32.732 162.917
56 HD2 LYS 8 HD2 LYS 8 -22.275 31.132 161.005
57 HD3 LYS 8 HD3 LYS 8 -20.667 31.805 160.738
58 HE2 LYS 8 HE2 LYS 8 -20.793 31.244 163.493
59 HE3 LYS 8 HE3 LYS 8 -21.519 29.848 162.696
60 HZ1 LYS 8 HZ1 LYS 8 -19.353 29.266 162.532
61 HZ2 LYS 8 HZ2 LYS 8 -18.790 30.870 162.546
62 HZ3 LYS 8 HZ3 LYS 8 -19.444 30.207 161.124
63 HN1 NH2 9 HN1 NH2 9 -25.236 33.447 163.912
64 HN2 NH2 9 HN2 NH2 9 -23.739 34.244 163.962
Start of MODEL 48
1 H1 ACE 1 H1 ACE 1 -31.693 46.726 147.661
2 H2 ACE 1 H2 ACE 1 -32.872 46.943 148.955
3 H3 ACE 1 H3 ACE 1 -33.318 46.063 147.494
4 HA PRO 2 HA PRO 2 -29.874 43.164 149.438
5 HB2 PRO 2 HB2 PRO 2 -29.509 44.129 152.127
6 HB3 PRO 2 HB3 PRO 2 -28.302 43.996 150.839
7 HG2 PRO 2 HG2 PRO 2 -29.772 46.337 151.777
8 HG3 PRO 2 HG3 PRO 2 -28.283 46.243 150.827
9 HD2 PRO 2 HD2 PRO 2 -30.675 47.068 149.779
10 HD3 PRO 2 HD3 PRO 2 -29.409 46.281 148.810
11 H THR 3 H THR 3 -30.058 41.610 151.399
12 HA THR 3 HA THR 3 -32.437 41.694 152.986
13 HB THR 3 HB THR 3 -33.517 41.149 150.870
14 HG1 THR 3 HG1 THR 3 -33.470 38.634 151.970
15 HG21 THR 3 HG21 THR 3 -32.403 38.532 150.425
16 HG22 THR 3 HG22 THR 3 -31.114 39.734 150.400
17 HG23 THR 3 HG23 THR 3 -32.492 39.896 149.312
18 H THR 4 H THR 4 -30.258 41.403 154.186
19 HA THR 4 HA THR 4 -29.305 38.645 154.231
20 HB THR 4 HB THR 4 -28.440 40.875 156.066
21 HG1 THR 4 HG1 THR 4 -27.895 40.402 153.363
22 HG21 THR 4 HG21 THR 4 -26.809 38.620 154.908
23 HG22 THR 4 HG22 THR 4 -27.785 38.391 156.360
24 HG23 THR 4 HG23 THR 4 -26.484 39.584 156.350
25 H THR 5 H THR 5 -29.828 37.163 155.734
26 HA THR 5 HA THR 5 -30.941 37.918 158.298
27 HB THR 5 HB THR 5 -32.669 37.193 156.070
28 HG1 THR 5 HG1 THR 5 -33.216 37.888 158.762
29 HG21 THR 5 HG21 THR 5 -34.079 35.628 157.436
30 HG22 THR 5 HG22 THR 5 -32.754 35.525 158.595
31 HG23 THR 5 HG23 THR 5 -32.530 34.941 156.947
32 HA PRO 6 HA PRO 6 -30.147 33.193 157.908
33 HB2 PRO 6 HB2 PRO 6 -28.765 32.688 155.430
34 HB3 PRO 6 HB3 PRO 6 -30.358 32.104 155.934
35 HG2 PRO 6 HG2 PRO 6 -29.881 33.921 153.910
36 HG3 PRO 6 HG3 PRO 6 -31.429 33.670 154.727
37 HD2 PRO 6 HD2 PRO 6 -29.438 35.859 155.098
38 HD3 PRO 6 HD3 PRO 6 -31.205 35.889 155.302
39 H LEU 7 H LEU 7 -28.503 32.806 159.268
40 HA LEU 7 HA LEU 7 -26.417 32.837 160.234
41 HB2 LEU 7 HB2 LEU 7 -25.933 32.337 157.335
42 HB3 LEU 7 HB3 LEU 7 -24.538 32.703 158.350
43 HG LEU 7 HG LEU 7 -26.545 30.686 159.300
44 HD11 LEU 7 HD11 LEU 7 -26.012 30.015 156.987
45 HD12 LEU 7 HD12 LEU 7 -25.270 28.911 158.145
46 HD13 LEU 7 HD13 LEU 7 -24.289 30.140 157.344
47 HD21 LEU 7 HD21 LEU 7 -24.836 30.031 160.711
48 HD22 LEU 7 HD22 LEU 7 -24.369 31.715 160.474
49 HD23 LEU 7 HD23 LEU 7 -23.577 30.441 159.547
50 H LYS 8 H LYS 8 -24.080 33.966 159.846
51 HA LYS 8 HA LYS 8 -22.922 35.945 159.977
52 HB2 LYS 8 HB2 LYS 8 -24.932 37.063 158.023
53 HB3 LYS 8 HB3 LYS 8 -23.245 37.529 158.238
54 HG2 LYS 8 HG2 LYS 8 -22.735 35.040 157.635
55 HG3 LYS 8 HG3 LYS 8 -24.367 35.043 156.966
56 HD2 LYS 8 HD2 LYS 8 -23.238 35.765 155.097
57 HD3 LYS 8 HD3 LYS 8 -23.478 37.329 155.875
58 HE2 LYS 8 HE2 LYS 8 -21.185 37.375 155.443
59 HE3 LYS 8 HE3 LYS 8 -21.219 36.752 157.092
60 HZ1 LYS 8 HZ1 LYS 8 -19.883 35.223 156.082
61 HZ2 LYS 8 HZ2 LYS 8 -20.668 35.343 154.580
62 HZ3 LYS 8 HZ3 LYS 8 -21.390 34.479 155.852
63 HN1 NH2 9 HN1 NH2 9 -24.605 38.923 160.164
64 HN2 NH2 9 HN2 NH2 9 -26.102 38.163 159.912
Start of MODEL 49
1 H1 ACE 1 H1 ACE 1 -30.720 42.226 148.488
2 H2 ACE 1 H2 ACE 1 -29.072 42.692 148.911
3 H3 ACE 1 H3 ACE 1 -30.058 43.751 147.902
4 HA PRO 2 HA PRO 2 -31.720 46.143 151.169
5 HB2 PRO 2 HB2 PRO 2 -34.436 45.186 151.091
6 HB3 PRO 2 HB3 PRO 2 -33.788 46.697 150.434
7 HG2 PRO 2 HG2 PRO 2 -34.433 44.199 149.067
8 HG3 PRO 2 HG3 PRO 2 -34.213 45.824 148.406
9 HD2 PRO 2 HD2 PRO 2 -32.420 43.791 148.009
10 HD3 PRO 2 HD3 PRO 2 -31.955 45.507 148.026
11 H THR 3 H THR 3 -32.896 42.790 151.151
12 HA THR 3 HA THR 3 -32.316 42.627 154.032
13 HB THR 3 HB THR 3 -34.827 41.462 152.819
14 HG1 THR 3 HG1 THR 3 -34.967 43.704 152.766
15 HG21 THR 3 HG21 THR 3 -33.475 40.915 155.179
16 HG22 THR 3 HG22 THR 3 -35.175 40.568 154.864
17 HG23 THR 3 HG23 THR 3 -34.716 42.062 155.679
18 H THR 4 H THR 4 -30.529 41.343 153.730
19 HA THR 4 HA THR 4 -31.072 38.579 152.971
20 HB THR 4 HB THR 4 -28.614 39.698 151.743
21 HG1 THR 4 HG1 THR 4 -30.401 41.187 151.305
22 HG21 THR 4 HG21 THR 4 -29.151 38.055 150.036
23 HG22 THR 4 HG22 THR 4 -30.753 37.807 150.731
24 HG23 THR 4 HG23 THR 4 -29.318 37.300 151.620
25 H THR 5 H THR 5 -30.414 37.556 154.753
26 HA THR 5 HA THR 5 -27.652 37.789 155.598
27 HB THR 5 HB THR 5 -29.840 38.397 157.598
28 HG1 THR 5 HG1 THR 5 -28.590 39.962 155.805
29 HG21 THR 5 HG21 THR 5 -27.856 39.053 158.990
30 HG22 THR 5 HG22 THR 5 -26.814 38.401 157.726
31 HG23 THR 5 HG23 THR 5 -27.910 37.333 158.603
32 HA PRO 6 HA PRO 6 -29.624 33.634 156.121
33 HB2 PRO 6 HB2 PRO 6 -27.490 32.520 154.538
34 HB3 PRO 6 HB3 PRO 6 -29.211 32.624 154.139
35 HG2 PRO 6 HG2 PRO 6 -27.182 34.020 152.884
36 HG3 PRO 6 HG3 PRO 6 -28.904 34.428 152.830
37 HD2 PRO 6 HD2 PRO 6 -26.722 35.685 154.427
38 HD3 PRO 6 HD3 PRO 6 -28.212 36.408 153.778
39 H LEU 7 H LEU 7 -29.053 33.407 158.272
40 HA LEU 7 HA LEU 7 -27.774 32.906 160.124
41 HB2 LEU 7 HB2 LEU 7 -26.908 31.000 157.983
42 HB3 LEU 7 HB3 LEU 7 -26.057 30.998 159.528
43 HG LEU 7 HG LEU 7 -28.180 30.671 160.720
44 HD11 LEU 7 HD11 LEU 7 -29.334 30.762 157.920
45 HD12 LEU 7 HD12 LEU 7 -29.715 31.831 159.270
46 HD13 LEU 7 HD13 LEU 7 -30.219 30.141 159.313
47 HD21 LEU 7 HD21 LEU 7 -27.596 28.760 158.443
48 HD22 LEU 7 HD22 LEU 7 -28.756 28.394 159.719
49 HD23 LEU 7 HD23 LEU 7 -27.055 28.639 160.117
50 H LYS 8 H LYS 8 -26.733 34.910 160.393
51 HA LYS 8 HA LYS 8 -24.919 36.297 160.639
52 HB2 LYS 8 HB2 LYS 8 -23.994 33.846 161.245
53 HB3 LYS 8 HB3 LYS 8 -22.983 34.193 159.842
54 HG2 LYS 8 HG2 LYS 8 -22.357 36.375 160.882
55 HG3 LYS 8 HG3 LYS 8 -23.279 35.920 162.316
56 HD2 LYS 8 HD2 LYS 8 -21.827 34.092 162.797
57 HD3 LYS 8 HD3 LYS 8 -21.070 34.181 161.206
58 HE2 LYS 8 HE2 LYS 8 -20.911 36.367 163.301
59 HE3 LYS 8 HE3 LYS 8 -19.649 35.171 163.010
60 HZ1 LYS 8 HZ1 LYS 8 -19.160 37.175 161.805
61 HZ2 LYS 8 HZ2 LYS 8 -20.685 37.153 161.058
62 HZ3 LYS 8 HZ3 LYS 8 -19.544 35.948 160.699
63 HN1 NH2 9 HN1 NH2 9 -23.156 37.539 158.370
64 HN2 NH2 9 HN2 NH2 9 -24.829 37.829 158.341
Start of MODEL 50
1 H1 ACE 1 H1 ACE 1 -26.455 40.124 153.609
2 H2 ACE 1 H2 ACE 1 -27.124 40.092 151.977
3 H3 ACE 1 H3 ACE 1 -27.474 38.778 153.102
4 HA PRO 2 HA PRO 2 -29.667 42.596 155.259
5 HB2 PRO 2 HB2 PRO 2 -29.736 44.658 153.249
6 HB3 PRO 2 HB3 PRO 2 -28.987 44.716 154.852
7 HG2 PRO 2 HG2 PRO 2 -27.760 44.271 152.240
8 HG3 PRO 2 HG3 PRO 2 -27.018 44.765 153.768
9 HD2 PRO 2 HD2 PRO 2 -26.645 42.291 152.655
10 HD3 PRO 2 HD3 PRO 2 -26.569 42.590 154.407
11 H THR 3 H THR 3 -29.844 41.429 152.043
12 HA THR 3 HA THR 3 -32.665 42.143 151.715
13 HB THR 3 HB THR 3 -32.432 41.179 149.478
14 HG1 THR 3 HG1 THR 3 -30.949 39.751 149.177
15 HG21 THR 3 HG21 THR 3 -29.990 42.598 149.227
16 HG22 THR 3 HG22 THR 3 -30.897 43.369 150.527
17 HG23 THR 3 HG23 THR 3 -31.621 43.199 148.928
18 H THR 4 H THR 4 -30.704 39.160 151.524
19 HA THR 4 HA THR 4 -33.086 37.550 152.029
20 HB THR 4 HB THR 4 -31.522 35.635 151.690
21 HG1 THR 4 HG1 THR 4 -29.506 36.095 151.963
22 HG21 THR 4 HG21 THR 4 -32.735 36.580 149.786
23 HG22 THR 4 HG22 THR 4 -31.112 36.102 149.286
24 HG23 THR 4 HG23 THR 4 -31.482 37.803 149.573
25 H THR 5 H THR 5 -32.518 39.169 154.189
26 HA THR 5 HA THR 5 -32.132 39.143 156.456
27 HB THR 5 HB THR 5 -32.242 36.481 157.198
28 HG1 THR 5 HG1 THR 5 -32.657 35.688 155.218
29 HG21 THR 5 HG21 THR 5 -34.354 38.587 156.733
30 HG22 THR 5 HG22 THR 5 -33.603 38.111 158.257
31 HG23 THR 5 HG23 THR 5 -34.740 37.025 157.456
32 HA PRO 6 HA PRO 6 -27.946 38.111 157.286
33 HB2 PRO 6 HB2 PRO 6 -28.335 37.476 160.070
34 HB3 PRO 6 HB3 PRO 6 -27.766 38.995 159.361
35 HG2 PRO 6 HG2 PRO 6 -30.182 38.628 160.649
36 HG3 PRO 6 HG3 PRO 6 -29.787 39.963 159.557
37 HD2 PRO 6 HD2 PRO 6 -31.423 37.526 159.035
38 HD3 PRO 6 HD3 PRO 6 -31.554 39.150 158.324
39 H LEU 7 H LEU 7 -26.476 36.410 157.514
40 HA LEU 7 HA LEU 7 -27.561 33.772 158.257
41 HB2 LEU 7 HB2 LEU 7 -25.900 34.321 155.785
42 HB3 LEU 7 HB3 LEU 7 -26.474 32.742 156.323
43 HG LEU 7 HG LEU 7 -28.814 34.119 156.304
44 HD11 LEU 7 HD11 LEU 7 -27.692 36.144 155.403
45 HD12 LEU 7 HD12 LEU 7 -28.883 35.498 154.274
46 HD13 LEU 7 HD13 LEU 7 -27.165 35.211 154.002
47 HD21 LEU 7 HD21 LEU 7 -27.440 32.668 154.021
48 HD22 LEU 7 HD22 LEU 7 -29.157 33.073 154.029
49 HD23 LEU 7 HD23 LEU 7 -28.506 31.966 155.239
50 H LYS 8 H LYS 8 -25.646 35.895 159.366
51 HA LYS 8 HA LYS 8 -23.652 33.995 160.290
52 HB2 LYS 8 HB2 LYS 8 -21.763 35.554 159.708
53 HB3 LYS 8 HB3 LYS 8 -22.514 34.768 158.318
54 HG2 LYS 8 HG2 LYS 8 -23.904 37.227 158.955
55 HG3 LYS 8 HG3 LYS 8 -22.185 37.537 158.719
56 HD2 LYS 8 HD2 LYS 8 -23.877 35.922 156.793
57 HD3 LYS 8 HD3 LYS 8 -23.548 37.644 156.599
58 HE2 LYS 8 HE2 LYS 8 -21.509 37.220 155.742
59 HE3 LYS 8 HE3 LYS 8 -21.092 36.205 157.123
60 HZ1 LYS 8 HZ1 LYS 8 -21.062 34.969 155.035
61 HZ2 LYS 8 HZ2 LYS 8 -22.701 35.337 154.781
62 HZ3 LYS 8 HZ3 LYS 8 -22.240 34.363 156.095
63 HN1 NH2 9 HN1 NH2 9 -22.052 36.653 161.150
64 HN2 NH2 9 HN2 NH2 9 -22.680 36.486 162.718
Start of MODEL 51
1 H1 ACE 1 H1 ACE 1 -27.485 46.378 149.695
2 H2 ACE 1 H2 ACE 1 -28.378 46.313 148.174
3 H3 ACE 1 H3 ACE 1 -27.456 44.911 148.716
4 HA PRO 2 HA PRO 2 -32.166 44.938 149.881
5 HB2 PRO 2 HB2 PRO 2 -32.172 42.247 148.853
6 HB3 PRO 2 HB3 PRO 2 -33.059 43.653 148.245
7 HG2 PRO 2 HG2 PRO 2 -30.590 42.444 147.263
8 HG3 PRO 2 HG3 PRO 2 -31.714 43.539 146.447
9 HD2 PRO 2 HD2 PRO 2 -29.211 44.298 147.261
10 HD3 PRO 2 HD3 PRO 2 -30.576 45.431 147.131
11 H THR 3 H THR 3 -32.979 43.828 151.673
12 HA THR 3 HA THR 3 -31.029 42.694 153.447
13 HB THR 3 HB THR 3 -32.906 44.056 154.278
14 HG1 THR 3 HG1 THR 3 -31.978 42.421 155.601
15 HG21 THR 3 HG21 THR 3 -34.880 41.893 153.999
16 HG22 THR 3 HG22 THR 3 -34.417 42.644 152.472
17 HG23 THR 3 HG23 THR 3 -35.075 43.631 153.776
18 H THR 4 H THR 4 -31.454 40.588 154.578
19 HA THR 4 HA THR 4 -32.823 38.563 152.986
20 HB THR 4 HB THR 4 -30.073 37.766 153.693
21 HG1 THR 4 HG1 THR 4 -29.598 39.787 152.917
22 HG21 THR 4 HG21 THR 4 -30.260 36.513 151.690
23 HG22 THR 4 HG22 THR 4 -31.520 37.570 151.052
24 HG23 THR 4 HG23 THR 4 -31.879 36.478 152.390
25 H THR 5 H THR 5 -31.524 36.363 154.257
26 HA THR 5 HA THR 5 -32.899 36.443 156.808
27 HB THR 5 HB THR 5 -32.993 34.204 156.583
28 HG1 THR 5 HG1 THR 5 -31.208 33.041 156.680
29 HG21 THR 5 HG21 THR 5 -33.225 35.050 154.203
30 HG22 THR 5 HG22 THR 5 -32.730 33.363 154.352
31 HG23 THR 5 HG23 THR 5 -31.536 34.602 153.962
32 HA PRO 6 HA PRO 6 -29.423 36.896 159.458
33 HB2 PRO 6 HB2 PRO 6 -29.782 34.521 161.050
34 HB3 PRO 6 HB3 PRO 6 -30.295 36.174 161.418
35 HG2 PRO 6 HG2 PRO 6 -31.978 34.055 160.866
36 HG3 PRO 6 HG3 PRO 6 -32.413 35.769 160.785
37 HD2 PRO 6 HD2 PRO 6 -31.787 33.879 158.565
38 HD3 PRO 6 HD3 PRO 6 -32.863 35.294 158.577
39 H LEU 7 H LEU 7 -27.314 36.613 159.033
40 HA LEU 7 HA LEU 7 -26.275 33.882 158.678
41 HB2 LEU 7 HB2 LEU 7 -26.742 35.177 156.461
42 HB3 LEU 7 HB3 LEU 7 -25.299 36.092 156.898
43 HG LEU 7 HG LEU 7 -24.343 33.627 157.326
44 HD11 LEU 7 HD11 LEU 7 -26.511 32.567 156.716
45 HD12 LEU 7 HD12 LEU 7 -25.202 32.068 155.644
46 HD13 LEU 7 HD13 LEU 7 -26.376 33.267 155.103
47 HD21 LEU 7 HD21 LEU 7 -23.573 33.702 154.884
48 HD22 LEU 7 HD22 LEU 7 -23.240 35.144 155.843
49 HD23 LEU 7 HD23 LEU 7 -24.593 35.132 154.711
50 H LYS 8 H LYS 8 -23.723 35.277 157.779
51 HA LYS 8 HA LYS 8 -22.873 36.724 160.149
52 HB2 LYS 8 HB2 LYS 8 -21.098 35.150 160.739
53 HB3 LYS 8 HB3 LYS 8 -22.671 34.359 160.852
54 HG2 LYS 8 HG2 LYS 8 -22.304 33.512 158.494
55 HG3 LYS 8 HG3 LYS 8 -20.651 34.117 158.609
56 HD2 LYS 8 HD2 LYS 8 -20.135 32.113 159.523
57 HD3 LYS 8 HD3 LYS 8 -20.969 32.687 160.967
58 HE2 LYS 8 HE2 LYS 8 -22.112 31.023 158.712
59 HE3 LYS 8 HE3 LYS 8 -21.965 30.578 160.413
60 HZ1 LYS 8 HZ1 LYS 8 -23.811 32.512 159.164
61 HZ2 LYS 8 HZ2 LYS 8 -23.435 32.612 160.818
62 HZ3 LYS 8 HZ3 LYS 8 -24.168 31.213 160.194
63 HN1 NH2 9 HN1 NH2 9 -20.307 38.065 158.215
64 HN2 NH2 9 HN2 NH2 9 -20.567 37.582 159.821
Start of MODEL 52
1 H1 ACE 1 H1 ACE 1 -35.428 46.658 149.673
2 H2 ACE 1 H2 ACE 1 -34.816 46.443 148.033
3 H3 ACE 1 H3 ACE 1 -33.709 46.862 149.341
4 HA PRO 2 HA PRO 2 -34.092 42.137 148.329
5 HB2 PRO 2 HB2 PRO 2 -31.211 42.159 148.372
6 HB3 PRO 2 HB3 PRO 2 -32.283 41.797 147.011
7 HG2 PRO 2 HG2 PRO 2 -30.836 44.254 147.639
8 HG3 PRO 2 HG3 PRO 2 -31.538 43.717 146.107
9 HD2 PRO 2 HD2 PRO 2 -32.581 45.767 147.592
10 HD3 PRO 2 HD3 PRO 2 -33.566 44.743 146.523
11 H THR 3 H THR 3 -34.790 41.627 150.391
12 HA THR 3 HA THR 3 -33.471 42.259 152.795
13 HB THR 3 HB THR 3 -34.900 40.557 153.814
14 HG1 THR 3 HG1 THR 3 -35.516 39.865 151.134
15 HG21 THR 3 HG21 THR 3 -35.804 42.680 152.083
16 HG22 THR 3 HG22 THR 3 -36.495 42.126 153.608
17 HG23 THR 3 HG23 THR 3 -36.987 41.371 152.093
18 H THR 4 H THR 4 -31.433 41.694 153.234
19 HA THR 4 HA THR 4 -30.719 38.865 153.194
20 HB THR 4 HB THR 4 -28.725 40.713 151.958
21 HG1 THR 4 HG1 THR 4 -30.542 41.126 150.741
22 HG21 THR 4 HG21 THR 4 -28.415 38.229 152.612
23 HG22 THR 4 HG22 THR 4 -27.899 38.723 150.999
24 HG23 THR 4 HG23 THR 4 -29.433 37.880 151.215
25 H THR 5 H THR 5 -29.423 38.341 154.868
26 HA THR 5 HA THR 5 -27.686 40.297 156.114
27 HB THR 5 HB THR 5 -29.243 41.007 157.587
28 HG1 THR 5 HG1 THR 5 -29.070 38.333 158.515
29 HG21 THR 5 HG21 THR 5 -31.375 39.643 157.987
30 HG22 THR 5 HG22 THR 5 -30.799 38.572 156.708
31 HG23 THR 5 HG23 THR 5 -31.138 40.266 156.354
32 HA PRO 6 HA PRO 6 -25.085 36.958 157.179
33 HB2 PRO 6 HB2 PRO 6 -25.131 37.349 160.032
34 HB3 PRO 6 HB3 PRO 6 -23.868 37.817 158.884
35 HG2 PRO 6 HG2 PRO 6 -25.957 39.442 160.116
36 HG3 PRO 6 HG3 PRO 6 -24.450 39.941 159.335
37 HD2 PRO 6 HD2 PRO 6 -26.919 40.357 158.224
38 HD3 PRO 6 HD3 PRO 6 -25.440 40.152 157.258
39 H LEU 7 H LEU 7 -25.406 34.813 157.499
40 HA LEU 7 HA LEU 7 -27.940 33.980 158.724
41 HB2 LEU 7 HB2 LEU 7 -25.949 32.377 157.101
42 HB3 LEU 7 HB3 LEU 7 -27.549 31.841 157.614
43 HG LEU 7 HG LEU 7 -28.057 34.273 156.373
44 HD11 LEU 7 HD11 LEU 7 -25.694 34.216 155.529
45 HD12 LEU 7 HD12 LEU 7 -26.897 34.202 154.240
46 HD13 LEU 7 HD13 LEU 7 -26.074 32.709 154.695
47 HD21 LEU 7 HD21 LEU 7 -29.432 32.272 156.162
48 HD22 LEU 7 HD22 LEU 7 -28.146 31.441 155.286
49 HD23 LEU 7 HD23 LEU 7 -28.970 32.814 154.548
50 H LYS 8 H LYS 8 -24.451 33.519 158.997
51 HA LYS 8 HA LYS 8 -24.731 31.649 161.204
52 HB2 LYS 8 HB2 LYS 8 -22.820 31.902 159.335
53 HB3 LYS 8 HB3 LYS 8 -22.110 32.909 160.597
54 HG2 LYS 8 HG2 LYS 8 -22.719 30.915 162.178
55 HG3 LYS 8 HG3 LYS 8 -22.794 29.981 160.683
56 HD2 LYS 8 HD2 LYS 8 -20.490 30.816 160.123
57 HD3 LYS 8 HD3 LYS 8 -20.423 31.557 161.723
58 HE2 LYS 8 HE2 LYS 8 -19.717 29.587 162.550
59 HE3 LYS 8 HE3 LYS 8 -21.286 28.899 162.132
60 HZ1 LYS 8 HZ1 LYS 8 -19.877 27.571 160.939
61 HZ2 LYS 8 HZ2 LYS 8 -18.759 28.815 160.638
62 HZ3 LYS 8 HZ3 LYS 8 -20.225 28.759 159.780
63 HN1 NH2 9 HN1 NH2 9 -24.967 35.062 161.086
64 HN2 NH2 9 HN2 NH2 9 -25.110 35.044 162.777
Start of MODEL 53
1 H1 ACE 1 H1 ACE 1 -31.484 43.728 157.052
2 H2 ACE 1 H2 ACE 1 -31.570 44.702 155.585
3 H3 ACE 1 H3 ACE 1 -30.042 43.961 156.062
4 HA PRO 2 HA PRO 2 -32.828 40.041 155.118
5 HB2 PRO 2 HB2 PRO 2 -35.142 41.069 153.745
6 HB3 PRO 2 HB3 PRO 2 -35.085 40.150 155.256
7 HG2 PRO 2 HG2 PRO 2 -35.395 43.023 154.837
8 HG3 PRO 2 HG3 PRO 2 -35.767 42.042 156.261
9 HD2 PRO 2 HD2 PRO 2 -33.674 43.807 156.166
10 HD3 PRO 2 HD3 PRO 2 -33.672 42.350 157.187
11 H THR 3 H THR 3 -32.219 42.859 153.276
12 HA THR 3 HA THR 3 -32.677 42.255 150.660
13 HB THR 3 HB THR 3 -30.010 43.320 151.597
14 HG1 THR 3 HG1 THR 3 -31.660 45.280 151.119
15 HG21 THR 3 HG21 THR 3 -30.951 42.845 149.077
16 HG22 THR 3 HG22 THR 3 -29.771 44.095 149.473
17 HG23 THR 3 HG23 THR 3 -31.480 44.509 149.330
18 H THR 4 H THR 4 -29.804 41.212 152.505
19 HA THR 4 HA THR 4 -29.692 38.760 150.931
20 HB THR 4 HB THR 4 -27.298 39.107 150.365
21 HG1 THR 4 HG1 THR 4 -27.812 41.409 151.796
22 HG21 THR 4 HG21 THR 4 -28.970 41.383 149.295
23 HG22 THR 4 HG22 THR 4 -29.249 39.706 148.826
24 HG23 THR 4 HG23 THR 4 -27.706 40.479 148.462
25 H THR 5 H THR 5 -27.214 37.862 151.711
26 HA THR 5 HA THR 5 -26.241 36.706 153.446
27 HB THR 5 HB THR 5 -25.519 38.026 155.288
28 HG1 THR 5 HG1 THR 5 -26.731 40.221 155.332
29 HG21 THR 5 HG21 THR 5 -24.352 39.527 154.059
30 HG22 THR 5 HG22 THR 5 -25.816 40.337 153.503
31 HG23 THR 5 HG23 THR 5 -25.247 38.885 152.680
32 HA PRO 6 HA PRO 6 -30.338 35.627 155.309
33 HB2 PRO 6 HB2 PRO 6 -29.998 32.953 154.289
34 HB3 PRO 6 HB3 PRO 6 -31.202 34.161 153.816
35 HG2 PRO 6 HG2 PRO 6 -29.134 33.249 152.229
36 HG3 PRO 6 HG3 PRO 6 -30.050 34.741 151.975
37 HD2 PRO 6 HD2 PRO 6 -27.317 34.381 153.114
38 HD3 PRO 6 HD3 PRO 6 -27.992 35.750 152.200
39 H LEU 7 H LEU 7 -27.529 35.566 156.365
40 HA LEU 7 HA LEU 7 -27.917 33.365 158.292
41 HB2 LEU 7 HB2 LEU 7 -25.898 33.425 156.363
42 HB3 LEU 7 HB3 LEU 7 -25.113 33.963 157.847
43 HG LEU 7 HG LEU 7 -26.171 31.980 159.011
44 HD11 LEU 7 HD11 LEU 7 -27.570 31.812 156.574
45 HD12 LEU 7 HD12 LEU 7 -27.622 30.656 157.906
46 HD13 LEU 7 HD13 LEU 7 -26.477 30.427 156.584
47 HD21 LEU 7 HD21 LEU 7 -24.596 30.314 157.861
48 HD22 LEU 7 HD22 LEU 7 -23.857 31.802 158.451
49 HD23 LEU 7 HD23 LEU 7 -24.213 31.615 156.733
50 H LYS 8 H LYS 8 -27.559 33.893 160.389
51 HA LYS 8 HA LYS 8 -27.220 35.205 162.242
52 HB2 LYS 8 HB2 LYS 8 -25.224 36.754 160.592
53 HB3 LYS 8 HB3 LYS 8 -25.226 36.489 162.335
54 HG2 LYS 8 HG2 LYS 8 -24.939 34.032 161.898
55 HG3 LYS 8 HG3 LYS 8 -24.757 34.406 160.184
56 HD2 LYS 8 HD2 LYS 8 -22.786 35.735 160.609
57 HD3 LYS 8 HD3 LYS 8 -23.025 35.620 162.353
58 HE2 LYS 8 HE2 LYS 8 -22.957 32.987 161.114
59 HE3 LYS 8 HE3 LYS 8 -21.484 33.897 160.780
60 HZ1 LYS 8 HZ1 LYS 8 -22.657 33.234 163.415
61 HZ2 LYS 8 HZ2 LYS 8 -21.457 34.421 163.225
62 HZ3 LYS 8 HZ3 LYS 8 -21.132 32.805 162.814
63 HN1 NH2 9 HN1 NH2 9 -29.234 36.375 162.370
64 HN2 NH2 9 HN2 NH2 9 -29.246 38.024 161.970
Start of MODEL 54
1 H1 ACE 1 H1 ACE 1 -31.539 45.311 154.823
2 H2 ACE 1 H2 ACE 1 -30.015 45.501 153.953
3 H3 ACE 1 H3 ACE 1 -30.591 43.890 154.384
4 HA PRO 2 HA PRO 2 -31.727 45.429 149.927
5 HB2 PRO 2 HB2 PRO 2 -30.758 42.855 149.070
6 HB3 PRO 2 HB3 PRO 2 -30.114 44.455 148.672
7 HG2 PRO 2 HG2 PRO 2 -29.173 42.506 150.631
8 HG3 PRO 2 HG3 PRO 2 -28.328 43.882 149.910
9 HD2 PRO 2 HD2 PRO 2 -29.139 43.830 152.525
10 HD3 PRO 2 HD3 PRO 2 -28.977 45.332 151.588
11 H THR 3 H THR 3 -31.703 41.943 150.675
12 HA THR 3 HA THR 3 -34.510 41.782 151.179
13 HB THR 3 HB THR 3 -34.053 40.243 148.743
14 HG1 THR 3 HG1 THR 3 -34.290 42.274 147.492
15 HG21 THR 3 HG21 THR 3 -36.083 42.369 149.477
16 HG22 THR 3 HG22 THR 3 -36.242 40.654 149.858
17 HG23 THR 3 HG23 THR 3 -36.229 41.187 148.177
18 H THR 4 H THR 4 -31.812 40.840 152.097
19 HA THR 4 HA THR 4 -32.601 38.077 152.599
20 HB THR 4 HB THR 4 -31.249 37.860 150.576
21 HG1 THR 4 HG1 THR 4 -30.474 36.180 151.527
22 HG21 THR 4 HG21 THR 4 -29.852 40.041 151.660
23 HG22 THR 4 HG22 THR 4 -29.470 39.175 150.170
24 HG23 THR 4 HG23 THR 4 -28.708 38.698 151.687
25 H THR 5 H THR 5 -32.007 37.403 154.594
26 HA THR 5 HA THR 5 -30.763 39.343 156.354
27 HB THR 5 HB THR 5 -31.101 37.025 157.820
28 HG1 THR 5 HG1 THR 5 -33.319 37.264 156.093
29 HG21 THR 5 HG21 THR 5 -32.897 39.384 157.252
30 HG22 THR 5 HG22 THR 5 -31.844 39.125 158.642
31 HG23 THR 5 HG23 THR 5 -33.311 38.164 158.458
32 HA PRO 6 HA PRO 6 -26.738 37.594 156.483
33 HB2 PRO 6 HB2 PRO 6 -26.441 37.726 159.346
34 HB3 PRO 6 HB3 PRO 6 -25.850 38.868 158.130
35 HG2 PRO 6 HG2 PRO 6 -27.843 39.375 159.975
36 HG3 PRO 6 HG3 PRO 6 -27.552 40.293 158.490
37 HD2 PRO 6 HD2 PRO 6 -29.645 38.245 159.058
38 HD3 PRO 6 HD3 PRO 6 -29.700 39.647 157.965
39 H LEU 7 H LEU 7 -25.415 36.150 158.456
40 HA LEU 7 HA LEU 7 -27.031 33.717 158.852
41 HB2 LEU 7 HB2 LEU 7 -24.408 33.956 157.399
42 HB3 LEU 7 HB3 LEU 7 -24.863 32.454 158.202
43 HG LEU 7 HG LEU 7 -26.951 33.698 156.498
44 HD11 LEU 7 HD11 LEU 7 -24.407 32.475 155.399
45 HD12 LEU 7 HD12 LEU 7 -25.078 34.065 155.031
46 HD13 LEU 7 HD13 LEU 7 -25.896 32.609 154.463
47 HD21 LEU 7 HD21 LEU 7 -27.216 31.531 157.705
48 HD22 LEU 7 HD22 LEU 7 -25.878 30.870 156.763
49 HD23 LEU 7 HD23 LEU 7 -27.374 31.346 155.958
50 H LYS 8 H LYS 8 -23.654 33.472 159.276
51 HA LYS 8 HA LYS 8 -23.988 33.238 162.153
52 HB2 LYS 8 HB2 LYS 8 -21.647 32.776 160.298
53 HB3 LYS 8 HB3 LYS 8 -21.539 32.606 162.050
54 HG2 LYS 8 HG2 LYS 8 -22.660 30.636 162.044
55 HG3 LYS 8 HG3 LYS 8 -23.848 31.216 160.876
56 HD2 LYS 8 HD2 LYS 8 -22.495 29.371 159.935
57 HD3 LYS 8 HD3 LYS 8 -22.233 30.874 159.048
58 HE2 LYS 8 HE2 LYS 8 -20.418 30.550 161.331
59 HE3 LYS 8 HE3 LYS 8 -20.235 29.290 160.113
60 HZ1 LYS 8 HZ1 LYS 8 -18.855 30.964 159.357
61 HZ2 LYS 8 HZ2 LYS 8 -19.918 32.206 159.820
62 HZ3 LYS 8 HZ3 LYS 8 -20.274 31.239 158.468
63 HN1 NH2 9 HN1 NH2 9 -23.807 36.584 162.000
64 HN2 NH2 9 HN2 NH2 9 -23.275 36.287 160.415
Start of MODEL 55
1 H1 ACE 1 H1 ACE 1 -34.310 39.264 147.917
2 H2 ACE 1 H2 ACE 1 -33.667 40.161 146.540
3 H3 ACE 1 H3 ACE 1 -35.325 40.437 147.078
4 HA PRO 2 HA PRO 2 -34.417 43.719 149.826
5 HB2 PRO 2 HB2 PRO 2 -34.874 42.360 152.324
6 HB3 PRO 2 HB3 PRO 2 -35.948 43.483 151.477
7 HG2 PRO 2 HG2 PRO 2 -36.013 40.565 151.578
8 HG3 PRO 2 HG3 PRO 2 -37.284 41.709 151.124
9 HD2 PRO 2 HD2 PRO 2 -36.017 40.088 149.317
10 HD3 PRO 2 HD3 PRO 2 -36.708 41.669 148.888
11 H THR 3 H THR 3 -32.687 44.560 150.986
12 HA THR 3 HA THR 3 -30.271 43.079 151.010
13 HB THR 3 HB THR 3 -29.984 45.394 150.805
14 HG1 THR 3 HG1 THR 3 -28.454 44.851 152.222
15 HG21 THR 3 HG21 THR 3 -30.993 46.792 152.882
16 HG22 THR 3 HG22 THR 3 -32.166 45.474 152.821
17 HG23 THR 3 HG23 THR 3 -31.904 46.489 151.402
18 H THR 4 H THR 4 -29.621 41.591 152.414
19 HA THR 4 HA THR 4 -30.167 41.918 155.261
20 HB THR 4 HB THR 4 -31.053 39.607 155.466
21 HG1 THR 4 HG1 THR 4 -30.219 38.808 153.509
22 HG21 THR 4 HG21 THR 4 -32.504 41.695 155.205
23 HG22 THR 4 HG22 THR 4 -33.282 40.158 154.830
24 HG23 THR 4 HG23 THR 4 -32.727 41.206 153.526
25 H THR 5 H THR 5 -29.325 39.516 156.202
26 HA THR 5 HA THR 5 -26.869 38.706 154.893
27 HB THR 5 HB THR 5 -25.495 39.282 156.941
28 HG1 THR 5 HG1 THR 5 -27.381 39.686 158.247
29 HG21 THR 5 HG21 THR 5 -25.629 40.596 154.726
30 HG22 THR 5 HG22 THR 5 -24.977 41.445 156.127
31 HG23 THR 5 HG23 THR 5 -26.638 41.739 155.614
32 HA PRO 6 HA PRO 6 -28.907 35.530 157.579
33 HB2 PRO 6 HB2 PRO 6 -28.929 33.739 155.321
34 HB3 PRO 6 HB3 PRO 6 -30.309 34.470 156.153
35 HG2 PRO 6 HG2 PRO 6 -29.500 35.048 153.579
36 HG3 PRO 6 HG3 PRO 6 -30.549 36.062 154.582
37 HD2 PRO 6 HD2 PRO 6 -27.652 36.394 153.952
38 HD3 PRO 6 HD3 PRO 6 -28.886 37.629 154.294
39 H LEU 7 H LEU 7 -28.247 32.903 157.217
40 HA LEU 7 HA LEU 7 -26.575 31.412 157.744
41 HB2 LEU 7 HB2 LEU 7 -25.118 33.061 155.664
42 HB3 LEU 7 HB3 LEU 7 -24.610 31.474 156.243
43 HG LEU 7 HG LEU 7 -27.404 31.449 155.449
44 HD11 LEU 7 HD11 LEU 7 -26.966 31.700 153.002
45 HD12 LEU 7 HD12 LEU 7 -25.345 32.282 153.382
46 HD13 LEU 7 HD13 LEU 7 -26.758 33.210 153.887
47 HD21 LEU 7 HD21 LEU 7 -24.931 30.006 154.437
48 HD22 LEU 7 HD22 LEU 7 -26.596 29.535 154.100
49 HD23 LEU 7 HD23 LEU 7 -25.975 29.459 155.748
50 H LYS 8 H LYS 8 -26.324 32.172 159.902
51 HA LYS 8 HA LYS 8 -24.310 34.191 160.465
52 HB2 LYS 8 HB2 LYS 8 -26.546 33.572 161.777
53 HB3 LYS 8 HB3 LYS 8 -25.451 32.469 162.614
54 HG2 LYS 8 HG2 LYS 8 -23.922 34.370 163.076
55 HG3 LYS 8 HG3 LYS 8 -25.066 35.461 162.294
56 HD2 LYS 8 HD2 LYS 8 -26.124 35.671 164.270
57 HD3 LYS 8 HD3 LYS 8 -26.580 33.971 164.149
58 HE2 LYS 8 HE2 LYS 8 -25.377 34.458 166.267
59 HE3 LYS 8 HE3 LYS 8 -24.498 33.307 165.260
60 HZ1 LYS 8 HZ1 LYS 8 -23.941 36.172 164.961
61 HZ2 LYS 8 HZ2 LYS 8 -22.914 34.840 164.718
62 HZ3 LYS 8 HZ3 LYS 8 -23.289 35.351 166.295
63 HN1 NH2 9 HN1 NH2 9 -23.621 31.398 159.236
64 HN2 NH2 9 HN2 NH2 9 -22.212 31.077 160.127
Start of MODEL 56
1 H1 ACE 1 H1 ACE 1 -32.125 47.570 150.004
2 H2 ACE 1 H2 ACE 1 -30.539 46.930 150.433
3 H3 ACE 1 H3 ACE 1 -31.520 47.744 151.651
4 HA PRO 2 HA PRO 2 -34.217 43.779 150.633
5 HB2 PRO 2 HB2 PRO 2 -32.469 42.040 149.144
6 HB3 PRO 2 HB3 PRO 2 -34.027 42.716 148.644
7 HG2 PRO 2 HG2 PRO 2 -31.321 43.576 147.963
8 HG3 PRO 2 HG3 PRO 2 -32.856 43.931 147.159
9 HD2 PRO 2 HD2 PRO 2 -31.443 45.800 148.579
10 HD3 PRO 2 HD3 PRO 2 -33.211 45.852 148.393
11 H THR 3 H THR 3 -34.157 41.842 151.869
12 HA THR 3 HA THR 3 -32.493 41.748 154.057
13 HB THR 3 HB THR 3 -34.212 40.306 154.415
14 HG1 THR 3 HG1 THR 3 -33.420 38.314 154.476
15 HG21 THR 3 HG21 THR 3 -35.335 40.525 152.348
16 HG22 THR 3 HG22 THR 3 -35.053 38.791 152.500
17 HG23 THR 3 HG23 THR 3 -34.018 39.766 151.454
18 H THR 4 H THR 4 -30.533 40.887 154.553
19 HA THR 4 HA THR 4 -28.838 40.098 152.312
20 HB THR 4 HB THR 4 -26.995 40.419 153.807
21 HG1 THR 4 HG1 THR 4 -28.501 41.047 156.013
22 HG21 THR 4 HG21 THR 4 -28.864 42.404 153.240
23 HG22 THR 4 HG22 THR 4 -27.213 42.664 153.805
24 HG23 THR 4 HG23 THR 4 -28.543 42.604 154.963
25 H THR 5 H THR 5 -30.972 38.313 153.358
26 HA THR 5 HA THR 5 -31.286 36.098 153.886
27 HB THR 5 HB THR 5 -29.074 34.711 153.275
28 HG1 THR 5 HG1 THR 5 -27.915 35.851 151.724
29 HG21 THR 5 HG21 THR 5 -31.183 35.988 151.568
30 HG22 THR 5 HG22 THR 5 -30.962 34.287 151.981
31 HG23 THR 5 HG23 THR 5 -29.902 35.053 150.798
32 HA PRO 6 HA PRO 6 -30.116 35.156 157.980
33 HB2 PRO 6 HB2 PRO 6 -29.174 32.484 157.456
34 HB3 PRO 6 HB3 PRO 6 -30.725 32.982 158.149
35 HG2 PRO 6 HG2 PRO 6 -30.080 32.163 155.418
36 HG3 PRO 6 HG3 PRO 6 -31.645 32.220 156.242
37 HD2 PRO 6 HD2 PRO 6 -30.949 33.967 154.257
38 HD3 PRO 6 HD3 PRO 6 -32.070 34.393 155.571
39 H LEU 7 H LEU 7 -28.335 36.052 158.839
40 HA LEU 7 HA LEU 7 -25.716 35.500 157.638
41 HB2 LEU 7 HB2 LEU 7 -25.093 37.340 159.435
42 HB3 LEU 7 HB3 LEU 7 -25.829 37.789 157.898
43 HG LEU 7 HG LEU 7 -28.044 37.851 158.945
44 HD11 LEU 7 HD11 LEU 7 -26.489 36.827 161.318
45 HD12 LEU 7 HD12 LEU 7 -27.970 36.181 160.611
46 HD13 LEU 7 HD13 LEU 7 -28.016 37.682 161.536
47 HD21 LEU 7 HD21 LEU 7 -27.699 39.779 160.416
48 HD22 LEU 7 HD22 LEU 7 -26.590 39.882 159.052
49 HD23 LEU 7 HD23 LEU 7 -26.007 39.348 160.628
50 H LYS 8 H LYS 8 -23.867 35.381 159.268
51 HA LYS 8 HA LYS 8 -24.451 33.185 161.076
52 HB2 LYS 8 HB2 LYS 8 -22.051 34.356 159.819
53 HB3 LYS 8 HB3 LYS 8 -21.807 33.711 161.443
54 HG2 LYS 8 HG2 LYS 8 -22.770 31.564 160.769
55 HG3 LYS 8 HG3 LYS 8 -23.108 32.200 159.158
56 HD2 LYS 8 HD2 LYS 8 -20.304 32.438 160.127
57 HD3 LYS 8 HD3 LYS 8 -20.867 30.818 159.713
58 HE2 LYS 8 HE2 LYS 8 -21.341 33.135 157.846
59 HE3 LYS 8 HE3 LYS 8 -19.809 32.261 157.828
60 HZ1 LYS 8 HZ1 LYS 8 -22.029 31.535 156.475
61 HZ2 LYS 8 HZ2 LYS 8 -22.123 30.551 157.857
62 HZ3 LYS 8 HZ3 LYS 8 -20.745 30.498 156.864
63 HN1 NH2 9 HN1 NH2 9 -25.397 36.062 162.547
64 HN2 NH2 9 HN2 NH2 9 -23.944 36.843 162.151
Start of MODEL 57
1 H1 ACE 1 H1 ACE 1 -35.084 41.499 150.668
2 H2 ACE 1 H2 ACE 1 -35.021 39.884 149.959
3 H3 ACE 1 H3 ACE 1 -35.294 41.290 148.929
4 HA PRO 2 HA PRO 2 -31.090 42.034 147.972
5 HB2 PRO 2 HB2 PRO 2 -30.697 44.447 149.496
6 HB3 PRO 2 HB3 PRO 2 -30.973 44.284 147.754
7 HG2 PRO 2 HG2 PRO 2 -32.844 45.010 149.875
8 HG3 PRO 2 HG3 PRO 2 -32.964 45.261 148.126
9 HD2 PRO 2 HD2 PRO 2 -34.509 43.454 149.487
10 HD3 PRO 2 HD3 PRO 2 -34.056 43.255 147.780
11 H THR 3 H THR 3 -31.625 43.081 151.351
12 HA THR 3 HA THR 3 -29.509 41.222 152.209
13 HB THR 3 HB THR 3 -29.225 43.463 153.861
14 HG1 THR 3 HG1 THR 3 -30.003 44.954 152.567
15 HG21 THR 3 HG21 THR 3 -27.586 42.530 151.489
16 HG22 THR 3 HG22 THR 3 -27.441 41.945 153.146
17 HG23 THR 3 HG23 THR 3 -27.008 43.610 152.758
18 H THR 4 H THR 4 -30.665 39.848 153.435
19 HA THR 4 HA THR 4 -32.022 40.923 155.785
20 HB THR 4 HB THR 4 -33.782 40.807 154.032
21 HG1 THR 4 HG1 THR 4 -35.170 39.449 155.302
22 HG21 THR 4 HG21 THR 4 -33.676 37.829 154.115
23 HG22 THR 4 HG22 THR 4 -32.516 38.654 153.075
24 HG23 THR 4 HG23 THR 4 -34.246 38.897 152.833
25 H THR 5 H THR 5 -31.295 39.776 157.454
26 HA THR 5 HA THR 5 -30.378 38.068 158.693
27 HB THR 5 HB THR 5 -31.928 36.191 156.922
28 HG1 THR 5 HG1 THR 5 -33.076 37.456 159.135
29 HG21 THR 5 HG21 THR 5 -31.871 36.070 159.895
30 HG22 THR 5 HG22 THR 5 -30.379 35.663 159.049
31 HG23 THR 5 HG23 THR 5 -31.856 34.758 158.716
32 HA PRO 6 HA PRO 6 -27.585 37.223 154.827
33 HB2 PRO 6 HB2 PRO 6 -25.462 38.328 156.426
34 HB3 PRO 6 HB3 PRO 6 -26.129 38.954 154.910
35 HG2 PRO 6 HG2 PRO 6 -26.633 39.804 157.657
36 HG3 PRO 6 HG3 PRO 6 -26.927 40.660 156.136
37 HD2 PRO 6 HD2 PRO 6 -28.939 39.658 157.704
38 HD3 PRO 6 HD3 PRO 6 -29.077 39.853 155.941
39 H LEU 7 H LEU 7 -25.351 36.063 155.083
40 HA LEU 7 HA LEU 7 -25.696 33.644 156.390
41 HB2 LEU 7 HB2 LEU 7 -23.703 34.827 154.810
42 HB3 LEU 7 HB3 LEU 7 -22.891 34.349 156.301
43 HG LEU 7 HG LEU 7 -22.848 32.489 154.713
44 HD11 LEU 7 HD11 LEU 7 -23.244 30.980 156.357
45 HD12 LEU 7 HD12 LEU 7 -24.943 31.435 156.479
46 HD13 LEU 7 HD13 LEU 7 -23.717 32.368 157.336
47 HD21 LEU 7 HD21 LEU 7 -25.657 31.821 154.716
48 HD22 LEU 7 HD22 LEU 7 -24.587 32.083 153.338
49 HD23 LEU 7 HD23 LEU 7 -25.435 33.447 154.068
50 H LYS 8 H LYS 8 -26.121 33.452 158.507
51 HA LYS 8 HA LYS 8 -25.863 33.558 160.786
52 HB2 LYS 8 HB2 LYS 8 -23.249 33.390 159.679
53 HB3 LYS 8 HB3 LYS 8 -23.188 34.538 161.017
54 HG2 LYS 8 HG2 LYS 8 -22.797 32.296 161.885
55 HG3 LYS 8 HG3 LYS 8 -24.369 32.863 162.449
56 HD2 LYS 8 HD2 LYS 8 -25.355 31.083 161.492
57 HD3 LYS 8 HD3 LYS 8 -24.756 31.604 159.916
58 HE2 LYS 8 HE2 LYS 8 -24.007 29.294 160.541
59 HE3 LYS 8 HE3 LYS 8 -22.669 30.407 160.254
60 HZ1 LYS 8 HZ1 LYS 8 -23.240 28.955 162.572
61 HZ2 LYS 8 HZ2 LYS 8 -23.427 30.603 162.942
62 HZ3 LYS 8 HZ3 LYS 8 -21.960 30.034 162.301
63 HN1 NH2 9 HN1 NH2 9 -26.961 36.736 161.009
64 HN2 NH2 9 HN2 NH2 9 -26.697 35.496 162.139
Start of MODEL 58
1 H1 ACE 1 H1 ACE 1 -26.826 45.119 152.848
2 H2 ACE 1 H2 ACE 1 -26.236 44.309 151.397
3 H3 ACE 1 H3 ACE 1 -26.185 43.480 152.954
4 HA PRO 2 HA PRO 2 -30.073 42.583 150.195
5 HB2 PRO 2 HB2 PRO 2 -29.523 39.815 150.771
6 HB3 PRO 2 HB3 PRO 2 -29.501 40.632 149.202
7 HG2 PRO 2 HG2 PRO 2 -27.280 39.903 150.953
8 HG3 PRO 2 HG3 PRO 2 -27.276 40.305 149.229
9 HD2 PRO 2 HD2 PRO 2 -26.240 41.956 151.153
10 HD3 PRO 2 HD3 PRO 2 -26.912 42.553 149.618
11 H THR 3 H THR 3 -31.820 42.916 151.443
12 HA THR 3 HA THR 3 -31.879 42.123 154.222
13 HB THR 3 HB THR 3 -34.189 43.209 152.614
14 HG1 THR 3 HG1 THR 3 -31.799 44.344 153.223
15 HG21 THR 3 HG21 THR 3 -35.128 43.722 154.652
16 HG22 THR 3 HG22 THR 3 -33.563 43.940 155.436
17 HG23 THR 3 HG23 THR 3 -34.180 42.315 155.135
18 H THR 4 H THR 4 -31.741 39.832 154.063
19 HA THR 4 HA THR 4 -34.340 38.574 153.649
20 HB THR 4 HB THR 4 -32.202 36.989 152.426
21 HG1 THR 4 HG1 THR 4 -33.037 39.444 151.280
22 HG21 THR 4 HG21 THR 4 -33.933 36.543 150.806
23 HG22 THR 4 HG22 THR 4 -34.866 37.937 151.347
24 HG23 THR 4 HG23 THR 4 -34.683 36.536 152.402
25 H THR 5 H THR 5 -32.491 39.169 155.891
26 HA THR 5 HA THR 5 -31.874 38.138 157.851
27 HB THR 5 HB THR 5 -32.816 35.473 156.890
28 HG1 THR 5 HG1 THR 5 -34.885 36.083 156.923
29 HG21 THR 5 HG21 THR 5 -31.935 36.092 159.235
30 HG22 THR 5 HG22 THR 5 -33.459 35.207 159.150
31 HG23 THR 5 HG23 THR 5 -33.464 36.947 159.440
32 HA PRO 6 HA PRO 6 -28.423 36.390 154.945
33 HB2 PRO 6 HB2 PRO 6 -26.712 38.285 156.276
34 HB3 PRO 6 HB3 PRO 6 -27.166 38.233 154.566
35 HG2 PRO 6 HG2 PRO 6 -28.211 39.907 156.718
36 HG3 PRO 6 HG3 PRO 6 -28.316 40.123 154.965
37 HD2 PRO 6 HD2 PRO 6 -30.467 39.447 156.521
38 HD3 PRO 6 HD3 PRO 6 -30.319 38.981 154.811
39 H LEU 7 H LEU 7 -26.854 34.962 155.682
40 HA LEU 7 HA LEU 7 -27.120 34.030 158.383
41 HB2 LEU 7 HB2 LEU 7 -25.091 33.245 156.277
42 HB3 LEU 7 HB3 LEU 7 -25.482 32.343 157.742
43 HG LEU 7 HG LEU 7 -27.450 32.988 155.527
44 HD11 LEU 7 HD11 LEU 7 -27.318 30.401 155.314
45 HD12 LEU 7 HD12 LEU 7 -25.783 30.560 156.166
46 HD13 LEU 7 HD13 LEU 7 -26.015 31.359 154.611
47 HD21 LEU 7 HD21 LEU 7 -28.789 32.712 157.404
48 HD22 LEU 7 HD22 LEU 7 -27.625 31.657 158.205
49 HD23 LEU 7 HD23 LEU 7 -28.625 31.032 156.894
50 H LYS 8 H LYS 8 -24.129 34.888 156.642
51 HA LYS 8 HA LYS 8 -23.296 36.667 158.781
52 HB2 LYS 8 HB2 LYS 8 -22.488 33.901 158.750
53 HB3 LYS 8 HB3 LYS 8 -21.086 34.943 158.503
54 HG2 LYS 8 HG2 LYS 8 -21.675 36.248 160.494
55 HG3 LYS 8 HG3 LYS 8 -23.119 35.262 160.732
56 HD2 LYS 8 HD2 LYS 8 -20.675 33.664 160.457
57 HD3 LYS 8 HD3 LYS 8 -20.635 34.753 161.844
58 HE2 LYS 8 HE2 LYS 8 -22.939 32.883 161.228
59 HE3 LYS 8 HE3 LYS 8 -21.641 32.508 162.361
60 HZ1 LYS 8 HZ1 LYS 8 -22.700 35.082 162.880
61 HZ2 LYS 8 HZ2 LYS 8 -22.614 33.732 163.908
62 HZ3 LYS 8 HZ3 LYS 8 -23.949 33.934 162.877
63 HN1 NH2 9 HN1 NH2 9 -22.312 34.975 155.748
64 HN2 NH2 9 HN2 NH2 9 -21.122 36.112 155.337
Start of MODEL 59
1 H1 ACE 1 H1 ACE 1 -33.922 42.641 149.797
2 H2 ACE 1 H2 ACE 1 -33.882 41.137 148.875
3 H3 ACE 1 H3 ACE 1 -33.707 42.685 148.047
4 HA PRO 2 HA PRO 2 -29.338 42.850 148.222
5 HB2 PRO 2 HB2 PRO 2 -29.046 44.976 150.144
6 HB3 PRO 2 HB3 PRO 2 -28.889 45.064 148.383
7 HG2 PRO 2 HG2 PRO 2 -31.131 45.826 150.091
8 HG3 PRO 2 HG3 PRO 2 -30.770 46.294 148.424
9 HD2 PRO 2 HD2 PRO 2 -32.824 44.610 149.092
10 HD3 PRO 2 HD3 PRO 2 -31.981 44.542 147.528
11 H THR 3 H THR 3 -31.169 42.525 151.123
12 HA THR 3 HA THR 3 -29.374 40.640 152.254
13 HB THR 3 HB THR 3 -28.063 42.657 152.782
14 HG1 THR 3 HG1 THR 3 -28.796 42.302 155.281
15 HG21 THR 3 HG21 THR 3 -30.279 43.576 154.585
16 HG22 THR 3 HG22 THR 3 -30.286 44.048 152.886
17 HG23 THR 3 HG23 THR 3 -28.931 44.497 153.920
18 H THR 4 H THR 4 -30.705 39.268 153.231
19 HA THR 4 HA THR 4 -32.775 40.258 155.031
20 HB THR 4 HB THR 4 -33.535 38.348 152.821
21 HG1 THR 4 HG1 THR 4 -34.292 40.058 151.709
22 HG21 THR 4 HG21 THR 4 -34.735 38.979 155.233
23 HG22 THR 4 HG22 THR 4 -35.559 38.302 153.828
24 HG23 THR 4 HG23 THR 4 -35.556 40.046 154.092
25 H THR 5 H THR 5 -32.338 39.158 156.830
26 HA THR 5 HA THR 5 -31.765 37.447 158.255
27 HB THR 5 HB THR 5 -32.989 35.597 156.214
28 HG1 THR 5 HG1 THR 5 -34.090 37.766 157.085
29 HG21 THR 5 HG21 THR 5 -32.944 35.672 159.244
30 HG22 THR 5 HG22 THR 5 -32.020 34.574 158.219
31 HG23 THR 5 HG23 THR 5 -33.779 34.460 158.273
32 HA PRO 6 HA PRO 6 -28.138 36.208 155.659
33 HB2 PRO 6 HB2 PRO 6 -26.425 37.448 157.616
34 HB3 PRO 6 HB3 PRO 6 -26.702 37.936 155.938
35 HG2 PRO 6 HG2 PRO 6 -27.501 39.348 158.173
36 HG3 PRO 6 HG3 PRO 6 -28.141 39.556 156.537
37 HD2 PRO 6 HD2 PRO 6 -29.353 38.142 158.867
38 HD3 PRO 6 HD3 PRO 6 -30.146 38.984 157.516
39 H LEU 7 H LEU 7 -26.704 34.510 156.068
40 HA LEU 7 HA LEU 7 -27.143 33.109 158.619
41 HB2 LEU 7 HB2 LEU 7 -26.534 32.275 155.837
42 HB3 LEU 7 HB3 LEU 7 -25.796 31.317 157.122
43 HG LEU 7 HG LEU 7 -27.987 30.964 158.157
44 HD11 LEU 7 HD11 LEU 7 -29.935 31.719 156.462
45 HD12 LEU 7 HD12 LEU 7 -28.768 32.997 156.123
46 HD13 LEU 7 HD13 LEU 7 -29.367 32.762 157.765
47 HD21 LEU 7 HD21 LEU 7 -27.452 29.274 156.576
48 HD22 LEU 7 HD22 LEU 7 -27.729 30.352 155.208
49 HD23 LEU 7 HD23 LEU 7 -29.094 29.762 156.157
50 H LYS 8 H LYS 8 -25.695 34.302 159.909
51 HA LYS 8 HA LYS 8 -22.934 33.433 159.674
52 HB2 LYS 8 HB2 LYS 8 -23.316 35.663 158.347
53 HB3 LYS 8 HB3 LYS 8 -23.343 36.389 159.955
54 HG2 LYS 8 HG2 LYS 8 -21.160 34.883 160.267
55 HG3 LYS 8 HG3 LYS 8 -21.091 35.059 158.514
56 HD2 LYS 8 HD2 LYS 8 -21.296 37.538 158.803
57 HD3 LYS 8 HD3 LYS 8 -21.202 37.301 160.550
58 HE2 LYS 8 HE2 LYS 8 -18.958 37.335 160.381
59 HE3 LYS 8 HE3 LYS 8 -19.051 35.837 159.455
60 HZ1 LYS 8 HZ1 LYS 8 -17.970 37.958 158.433
61 HZ2 LYS 8 HZ2 LYS 8 -19.581 38.382 158.093
62 HZ3 LYS 8 HZ3 LYS 8 -18.928 36.940 157.474
63 HN1 NH2 9 HN1 NH2 9 -24.663 33.615 162.998
64 HN2 NH2 9 HN2 NH2 9 -24.178 32.479 161.835
Start of MODEL 60
1 H1 ACE 1 H1 ACE 1 -36.301 38.636 151.679
2 H2 ACE 1 H2 ACE 1 -36.056 40.048 152.706
3 H3 ACE 1 H3 ACE 1 -35.563 38.452 153.270
4 HA PRO 2 HA PRO 2 -32.411 39.691 149.863
5 HB2 PRO 2 HB2 PRO 2 -32.797 42.459 149.157
6 HB3 PRO 2 HB3 PRO 2 -32.985 41.029 148.130
7 HG2 PRO 2 HG2 PRO 2 -35.033 42.678 148.977
8 HG3 PRO 2 HG3 PRO 2 -35.223 41.033 148.356
9 HD2 PRO 2 HD2 PRO 2 -35.316 42.002 151.174
10 HD3 PRO 2 HD3 PRO 2 -36.151 40.624 150.422
11 H THR 3 H THR 3 -32.767 40.511 152.776
12 HA THR 3 HA THR 3 -31.343 42.815 153.416
13 HB THR 3 HB THR 3 -32.546 41.481 155.087
14 HG1 THR 3 HG1 THR 3 -30.478 41.235 156.497
15 HG21 THR 3 HG21 THR 3 -32.236 39.263 155.268
16 HG22 THR 3 HG22 THR 3 -30.517 39.492 155.586
17 HG23 THR 3 HG23 THR 3 -31.097 39.355 153.926
18 H THR 4 H THR 4 -29.137 43.015 154.252
19 HA THR 4 HA THR 4 -27.250 41.661 152.484
20 HB THR 4 HB THR 4 -27.106 44.105 152.760
21 HG1 THR 4 HG1 THR 4 -25.019 42.477 153.727
22 HG21 THR 4 HG21 THR 4 -27.929 44.084 155.143
23 HG22 THR 4 HG22 THR 4 -26.508 45.095 154.879
24 HG23 THR 4 HG23 THR 4 -26.334 43.507 155.626
25 H THR 5 H THR 5 -28.494 40.100 154.578
26 HA THR 5 HA THR 5 -26.086 39.015 155.770
27 HB THR 5 HB THR 5 -28.291 40.151 157.505
28 HG1 THR 5 HG1 THR 5 -25.734 40.769 158.105
29 HG21 THR 5 HG21 THR 5 -26.384 39.294 159.222
30 HG22 THR 5 HG22 THR 5 -26.223 38.074 157.958
31 HG23 THR 5 HG23 THR 5 -27.775 38.313 158.761
32 HA PRO 6 HA PRO 6 -29.441 35.985 154.775
33 HB2 PRO 6 HB2 PRO 6 -27.530 34.525 153.187
34 HB3 PRO 6 HB3 PRO 6 -28.972 35.393 152.641
35 HG2 PRO 6 HG2 PRO 6 -26.361 36.125 152.114
36 HG3 PRO 6 HG3 PRO 6 -27.774 37.181 151.986
37 HD2 PRO 6 HD2 PRO 6 -25.707 37.055 154.131
38 HD3 PRO 6 HD3 PRO 6 -26.668 38.440 153.565
39 H LEU 7 H LEU 7 -29.759 34.386 156.210
40 HA LEU 7 HA LEU 7 -29.335 32.859 157.882
41 HB2 LEU 7 HB2 LEU 7 -27.881 32.072 155.493
42 HB3 LEU 7 HB3 LEU 7 -27.095 31.479 156.956
43 HG LEU 7 HG LEU 7 -29.222 30.510 157.723
44 HD11 LEU 7 HD11 LEU 7 -30.247 32.197 155.583
45 HD12 LEU 7 HD12 LEU 7 -31.115 31.438 156.919
46 HD13 LEU 7 HD13 LEU 7 -30.826 30.537 155.429
47 HD21 LEU 7 HD21 LEU 7 -29.292 28.676 156.185
48 HD22 LEU 7 HD22 LEU 7 -27.633 29.274 156.148
49 HD23 LEU 7 HD23 LEU 7 -28.750 29.690 154.847
50 H LYS 8 H LYS 8 -28.663 33.974 159.658
51 HA LYS 8 HA LYS 8 -25.827 33.874 160.275
52 HB2 LYS 8 HB2 LYS 8 -26.021 36.036 159.117
53 HB3 LYS 8 HB3 LYS 8 -27.299 36.519 160.233
54 HG2 LYS 8 HG2 LYS 8 -25.802 37.102 161.813
55 HG3 LYS 8 HG3 LYS 8 -24.966 35.554 161.672
56 HD2 LYS 8 HD2 LYS 8 -24.609 37.819 159.693
57 HD3 LYS 8 HD3 LYS 8 -23.554 37.575 161.085
58 HE2 LYS 8 HE2 LYS 8 -23.934 35.096 159.619
59 HE3 LYS 8 HE3 LYS 8 -23.300 36.363 158.569
60 HZ1 LYS 8 HZ1 LYS 8 -21.447 36.660 159.910
61 HZ2 LYS 8 HZ2 LYS 8 -21.648 34.974 159.904
62 HZ3 LYS 8 HZ3 LYS 8 -22.151 35.886 161.245
63 HN1 NH2 9 HN1 NH2 9 -28.690 35.347 162.688
64 HN2 NH2 9 HN2 NH2 9 -29.229 34.119 161.648
Start of MODEL 61
1 H1 ACE 1 H1 ACE 1 -34.177 43.682 145.886
2 H2 ACE 1 H2 ACE 1 -34.855 42.204 146.570
3 H3 ACE 1 H3 ACE 1 -33.495 42.115 145.451
4 HA PRO 2 HA PRO 2 -31.520 44.457 149.276
5 HB2 PRO 2 HB2 PRO 2 -33.414 44.134 151.421
6 HB3 PRO 2 HB3 PRO 2 -32.806 45.639 150.715
7 HG2 PRO 2 HG2 PRO 2 -35.335 44.254 150.253
8 HG3 PRO 2 HG3 PRO 2 -34.889 45.933 149.919
9 HD2 PRO 2 HD2 PRO 2 -35.274 44.068 147.951
10 HD3 PRO 2 HD3 PRO 2 -34.179 45.458 147.773
11 H THR 3 H THR 3 -30.723 43.513 151.418
12 HA THR 3 HA THR 3 -30.450 40.653 151.106
13 HB THR 3 HB THR 3 -29.221 41.269 153.481
14 HG1 THR 3 HG1 THR 3 -29.938 43.528 152.736
15 HG21 THR 3 HG21 THR 3 -28.152 40.071 151.680
16 HG22 THR 3 HG22 THR 3 -27.158 41.482 152.047
17 HG23 THR 3 HG23 THR 3 -28.215 41.490 150.635
18 H THR 4 H THR 4 -30.433 39.417 153.356
19 HA THR 4 HA THR 4 -32.693 40.154 155.045
20 HB THR 4 HB THR 4 -33.818 38.932 153.276
21 HG1 THR 4 HG1 THR 4 -34.783 38.271 155.036
22 HG21 THR 4 HG21 THR 4 -32.727 37.343 152.123
23 HG22 THR 4 HG22 THR 4 -32.690 36.327 153.565
24 HG23 THR 4 HG23 THR 4 -31.371 37.455 153.246
25 H THR 5 H THR 5 -30.848 40.330 156.511
26 HA THR 5 HA THR 5 -29.454 39.547 158.163
27 HB THR 5 HB THR 5 -30.305 37.709 159.464
28 HG1 THR 5 HG1 THR 5 -30.806 36.116 158.141
29 HG21 THR 5 HG21 THR 5 -32.482 38.512 159.922
30 HG22 THR 5 HG22 THR 5 -32.757 38.968 158.240
31 HG23 THR 5 HG23 THR 5 -31.642 39.904 159.236
32 HA PRO 6 HA PRO 6 -27.213 36.741 155.242
33 HB2 PRO 6 HB2 PRO 6 -25.016 38.607 155.274
34 HB3 PRO 6 HB3 PRO 6 -26.078 38.188 153.921
35 HG2 PRO 6 HG2 PRO 6 -26.005 40.631 155.209
36 HG3 PRO 6 HG3 PRO 6 -27.327 40.039 154.193
37 HD2 PRO 6 HD2 PRO 6 -27.156 40.176 157.167
38 HD3 PRO 6 HD3 PRO 6 -28.580 40.285 156.109
39 H LEU 7 H LEU 7 -25.760 35.215 155.900
40 HA LEU 7 HA LEU 7 -24.327 34.046 157.262
41 HB2 LEU 7 HB2 LEU 7 -23.258 36.631 157.067
42 HB3 LEU 7 HB3 LEU 7 -23.212 36.238 158.786
43 HG LEU 7 HG LEU 7 -21.156 35.458 157.711
44 HD11 LEU 7 HD11 LEU 7 -21.153 33.551 158.935
45 HD12 LEU 7 HD12 LEU 7 -22.460 32.843 157.987
46 HD13 LEU 7 HD13 LEU 7 -22.830 33.946 159.311
47 HD21 LEU 7 HD21 LEU 7 -22.261 33.320 156.115
48 HD22 LEU 7 HD22 LEU 7 -21.173 34.617 155.620
49 HD23 LEU 7 HD23 LEU 7 -22.918 34.865 155.576
50 H LYS 8 H LYS 8 -24.840 32.922 159.029
51 HA LYS 8 HA LYS 8 -26.722 34.044 160.938
52 HB2 LYS 8 HB2 LYS 8 -26.848 31.785 161.830
53 HB3 LYS 8 HB3 LYS 8 -26.971 31.726 160.072
54 HG2 LYS 8 HG2 LYS 8 -24.298 31.517 160.311
55 HG3 LYS 8 HG3 LYS 8 -24.772 30.794 161.849
56 HD2 LYS 8 HD2 LYS 8 -26.340 29.291 160.594
57 HD3 LYS 8 HD3 LYS 8 -25.687 29.940 159.089
58 HE2 LYS 8 HE2 LYS 8 -23.384 29.289 160.382
59 HE3 LYS 8 HE3 LYS 8 -24.468 28.049 161.013
60 HZ1 LYS 8 HZ1 LYS 8 -24.632 28.549 158.158
61 HZ2 LYS 8 HZ2 LYS 8 -24.678 27.079 159.011
62 HZ3 LYS 8 HZ3 LYS 8 -23.190 27.835 158.695
63 HN1 NH2 9 HN1 NH2 9 -24.254 33.119 163.746
64 HN2 NH2 9 HN2 NH2 9 -25.660 32.351 163.185
Start of MODEL 62
1 H1 ACE 1 H1 ACE 1 -35.748 44.932 151.292
2 H2 ACE 1 H2 ACE 1 -35.085 43.808 152.479
3 H3 ACE 1 H3 ACE 1 -36.283 43.252 151.311
4 HA PRO 2 HA PRO 2 -32.496 44.387 148.416
5 HB2 PRO 2 HB2 PRO 2 -30.258 44.731 150.198
6 HB3 PRO 2 HB3 PRO 2 -30.944 45.904 149.063
7 HG2 PRO 2 HG2 PRO 2 -31.309 45.676 151.951
8 HG3 PRO 2 HG3 PRO 2 -31.608 47.051 150.879
9 HD2 PRO 2 HD2 PRO 2 -33.617 45.609 152.057
10 HD3 PRO 2 HD3 PRO 2 -33.807 46.451 150.502
11 H THR 3 H THR 3 -30.989 43.156 151.408
12 HA THR 3 HA THR 3 -30.326 40.667 149.981
13 HB THR 3 HB THR 3 -28.400 41.728 150.946
14 HG1 THR 3 HG1 THR 3 -28.977 39.366 151.391
15 HG21 THR 3 HG21 THR 3 -28.699 41.768 153.680
16 HG22 THR 3 HG22 THR 3 -30.296 42.272 153.126
17 HG23 THR 3 HG23 THR 3 -28.865 43.174 152.628
18 H THR 4 H THR 4 -30.530 38.629 151.136
19 HA THR 4 HA THR 4 -33.036 38.522 152.628
20 HB THR 4 HB THR 4 -32.953 36.866 150.966
21 HG1 THR 4 HG1 THR 4 -33.242 36.153 153.289
22 HG21 THR 4 HG21 THR 4 -30.074 36.678 151.770
23 HG22 THR 4 HG22 THR 4 -30.777 36.815 150.158
24 HG23 THR 4 HG23 THR 4 -30.841 35.278 151.021
25 H THR 5 H THR 5 -31.846 39.698 154.437
26 HA THR 5 HA THR 5 -30.905 39.684 156.534
27 HB THR 5 HB THR 5 -32.637 37.510 156.355
28 HG1 THR 5 HG1 THR 5 -32.709 38.999 157.991
29 HG21 THR 5 HG21 THR 5 -30.098 36.650 157.763
30 HG22 THR 5 HG22 THR 5 -30.565 36.086 156.158
31 HG23 THR 5 HG23 THR 5 -31.575 35.707 157.554
32 HA PRO 6 HA PRO 6 -26.751 38.301 156.194
33 HB2 PRO 6 HB2 PRO 6 -26.333 38.156 159.042
34 HB3 PRO 6 HB3 PRO 6 -25.884 39.461 157.934
35 HG2 PRO 6 HG2 PRO 6 -27.820 39.617 159.897
36 HG3 PRO 6 HG3 PRO 6 -27.666 40.704 158.510
37 HD2 PRO 6 HD2 PRO 6 -29.576 38.453 158.933
38 HD3 PRO 6 HD3 PRO 6 -29.782 39.953 157.999
39 H LEU 7 H LEU 7 -25.271 36.777 158.041
40 HA LEU 7 HA LEU 7 -26.670 34.186 158.151
41 HB2 LEU 7 HB2 LEU 7 -23.883 34.596 157.040
42 HB3 LEU 7 HB3 LEU 7 -24.714 33.051 157.225
43 HG LEU 7 HG LEU 7 -26.581 34.432 155.817
44 HD11 LEU 7 HD11 LEU 7 -23.878 35.400 154.833
45 HD12 LEU 7 HD12 LEU 7 -25.092 36.405 155.624
46 HD13 LEU 7 HD13 LEU 7 -25.429 35.693 154.046
47 HD21 LEU 7 HD21 LEU 7 -25.531 33.294 153.782
48 HD22 LEU 7 HD22 LEU 7 -25.859 32.246 155.162
49 HD23 LEU 7 HD23 LEU 7 -24.216 32.806 154.851
50 H LYS 8 H LYS 8 -25.685 32.652 159.616
51 HA LYS 8 HA LYS 8 -24.792 32.063 161.649
52 HB2 LYS 8 HB2 LYS 8 -22.726 33.058 160.253
53 HB3 LYS 8 HB3 LYS 8 -22.765 34.234 161.567
54 HG2 LYS 8 HG2 LYS 8 -21.377 32.573 162.451
55 HG3 LYS 8 HG3 LYS 8 -22.952 32.117 163.101
56 HD2 LYS 8 HD2 LYS 8 -22.397 30.077 162.220
57 HD3 LYS 8 HD3 LYS 8 -23.042 30.797 160.744
58 HE2 LYS 8 HE2 LYS 8 -20.155 30.514 161.579
59 HE3 LYS 8 HE3 LYS 8 -20.928 29.940 160.101
60 HZ1 LYS 8 HZ1 LYS 8 -20.996 32.045 159.212
61 HZ2 LYS 8 HZ2 LYS 8 -19.518 32.087 160.050
62 HZ3 LYS 8 HZ3 LYS 8 -20.899 32.817 160.719
63 HN1 NH2 9 HN1 NH2 9 -26.649 33.496 163.563
64 HN2 NH2 9 HN2 NH2 9 -25.116 33.199 164.231
Start of MODEL 63
1 H1 ACE 1 H1 ACE 1 -33.022 37.971 152.982
2 H2 ACE 1 H2 ACE 1 -34.661 38.416 153.457
3 H3 ACE 1 H3 ACE 1 -33.278 39.085 154.324
4 HA PRO 2 HA PRO 2 -34.497 42.100 151.018
5 HB2 PRO 2 HB2 PRO 2 -34.533 44.163 153.031
6 HB3 PRO 2 HB3 PRO 2 -35.894 43.511 152.105
7 HG2 PRO 2 HG2 PRO 2 -35.490 43.179 154.817
8 HG3 PRO 2 HG3 PRO 2 -36.551 42.190 153.803
9 HD2 PRO 2 HD2 PRO 2 -33.834 41.559 154.862
10 HD3 PRO 2 HD3 PRO 2 -35.186 40.466 154.487
11 H THR 3 H THR 3 -31.841 41.158 152.067
12 HA THR 3 HA THR 3 -30.280 43.403 151.099
13 HB THR 3 HB THR 3 -30.425 43.996 153.450
14 HG1 THR 3 HG1 THR 3 -28.269 43.680 152.149
15 HG21 THR 3 HG21 THR 3 -30.551 41.227 153.833
16 HG22 THR 3 HG22 THR 3 -30.510 42.460 155.093
17 HG23 THR 3 HG23 THR 3 -29.011 41.708 154.547
18 H THR 4 H THR 4 -28.183 41.781 152.937
19 HA THR 4 HA THR 4 -27.326 40.096 150.713
20 HB THR 4 HB THR 4 -25.233 40.340 151.540
21 HG1 THR 4 HG1 THR 4 -25.602 38.949 153.268
22 HG21 THR 4 HG21 THR 4 -24.893 42.408 152.665
23 HG22 THR 4 HG22 THR 4 -26.460 42.312 153.470
24 HG23 THR 4 HG23 THR 4 -26.376 42.622 151.736
25 H THR 5 H THR 5 -29.650 39.528 152.646
26 HA THR 5 HA THR 5 -30.531 37.737 153.803
27 HB THR 5 HB THR 5 -28.719 36.160 151.964
28 HG1 THR 5 HG1 THR 5 -29.840 37.319 150.573
29 HG21 THR 5 HG21 THR 5 -31.359 35.544 153.318
30 HG22 THR 5 HG22 THR 5 -29.797 34.809 153.684
31 HG23 THR 5 HG23 THR 5 -30.573 34.502 152.131
32 HA PRO 6 HA PRO 6 -26.782 37.194 156.457
33 HB2 PRO 6 HB2 PRO 6 -28.289 38.301 158.651
34 HB3 PRO 6 HB3 PRO 6 -26.879 38.990 157.832
35 HG2 PRO 6 HG2 PRO 6 -29.447 39.999 157.728
36 HG3 PRO 6 HG3 PRO 6 -28.145 40.373 156.591
37 HD2 PRO 6 HD2 PRO 6 -30.475 38.545 156.248
38 HD3 PRO 6 HD3 PRO 6 -29.589 39.490 155.030
39 H LEU 7 H LEU 7 -26.448 35.579 157.995
40 HA LEU 7 HA LEU 7 -28.811 34.171 159.043
41 HB2 LEU 7 HB2 LEU 7 -27.066 33.201 156.969
42 HB3 LEU 7 HB3 LEU 7 -26.917 32.181 158.400
43 HG LEU 7 HG LEU 7 -29.563 32.989 157.163
44 HD11 LEU 7 HD11 LEU 7 -28.096 30.341 156.978
45 HD12 LEU 7 HD12 LEU 7 -28.185 31.524 155.673
46 HD13 LEU 7 HD13 LEU 7 -29.653 30.733 156.247
47 HD21 LEU 7 HD21 LEU 7 -30.480 32.060 159.001
48 HD22 LEU 7 HD22 LEU 7 -28.862 31.912 159.688
49 HD23 LEU 7 HD23 LEU 7 -29.548 30.582 158.757
50 H LYS 8 H LYS 8 -25.765 35.498 159.506
51 HA LYS 8 HA LYS 8 -24.955 33.761 161.691
52 HB2 LYS 8 HB2 LYS 8 -23.819 36.242 160.423
53 HB3 LYS 8 HB3 LYS 8 -23.188 35.635 161.955
54 HG2 LYS 8 HG2 LYS 8 -21.905 34.728 160.050
55 HG3 LYS 8 HG3 LYS 8 -22.751 33.443 160.914
56 HD2 LYS 8 HD2 LYS 8 -24.397 33.233 159.235
57 HD3 LYS 8 HD3 LYS 8 -24.011 34.808 158.539
58 HE2 LYS 8 HE2 LYS 8 -21.949 32.613 158.598
59 HE3 LYS 8 HE3 LYS 8 -23.153 32.682 157.311
60 HZ1 LYS 8 HZ1 LYS 8 -21.573 35.067 158.025
61 HZ2 LYS 8 HZ2 LYS 8 -22.364 34.707 156.565
62 HZ3 LYS 8 HZ3 LYS 8 -20.932 33.892 156.982
63 HN1 NH2 9 HN1 NH2 9 -24.698 34.887 164.092
64 HN2 NH2 9 HN2 NH2 9 -26.372 35.051 164.312
Start of MODEL 64
1 H1 ACE 1 H1 ACE 1 -34.829 41.820 146.048
2 H2 ACE 1 H2 ACE 1 -34.298 43.450 145.633
3 H3 ACE 1 H3 ACE 1 -35.592 43.216 146.809
4 HA PRO 2 HA PRO 2 -31.126 43.719 148.635
5 HB2 PRO 2 HB2 PRO 2 -32.345 45.632 150.410
6 HB3 PRO 2 HB3 PRO 2 -31.093 45.913 149.191
7 HG2 PRO 2 HG2 PRO 2 -33.965 46.424 149.060
8 HG3 PRO 2 HG3 PRO 2 -32.654 47.080 148.069
9 HD2 PRO 2 HD2 PRO 2 -34.486 45.277 147.123
10 HD3 PRO 2 HD3 PRO 2 -32.829 45.401 146.491
11 H THR 3 H THR 3 -31.021 41.844 149.784
12 HA THR 3 HA THR 3 -32.995 41.358 151.910
13 HB THR 3 HB THR 3 -31.103 39.224 151.630
14 HG1 THR 3 HG1 THR 3 -31.221 40.502 149.446
15 HG21 THR 3 HG21 THR 3 -33.158 37.977 151.032
16 HG22 THR 3 HG22 THR 3 -34.023 39.505 150.865
17 HG23 THR 3 HG23 THR 3 -33.409 39.009 152.441
18 H THR 4 H THR 4 -31.900 40.067 153.821
19 HA THR 4 HA THR 4 -29.290 41.145 154.555
20 HB THR 4 HB THR 4 -30.151 42.058 156.698
21 HG1 THR 4 HG1 THR 4 -32.599 42.500 156.314
22 HG21 THR 4 HG21 THR 4 -30.905 44.124 155.783
23 HG22 THR 4 HG22 THR 4 -31.585 43.329 154.363
24 HG23 THR 4 HG23 THR 4 -29.837 43.429 154.564
25 H THR 5 H THR 5 -29.278 40.514 157.220
26 HA THR 5 HA THR 5 -28.841 38.723 158.594
27 HB THR 5 HB THR 5 -31.335 37.502 157.410
28 HG1 THR 5 HG1 THR 5 -32.490 38.948 158.443
29 HG21 THR 5 HG21 THR 5 -29.691 36.476 159.253
30 HG22 THR 5 HG22 THR 5 -31.440 36.276 159.357
31 HG23 THR 5 HG23 THR 5 -30.637 37.524 160.310
32 HA PRO 6 HA PRO 6 -27.173 36.178 155.107
33 HB2 PRO 6 HB2 PRO 6 -24.524 36.681 156.124
34 HB3 PRO 6 HB3 PRO 6 -25.233 37.227 154.597
35 HG2 PRO 6 HG2 PRO 6 -24.563 38.851 156.729
36 HG3 PRO 6 HG3 PRO 6 -25.666 39.279 155.411
37 HD2 PRO 6 HD2 PRO 6 -26.302 38.448 158.204
38 HD3 PRO 6 HD3 PRO 6 -27.204 39.521 157.108
39 H LEU 7 H LEU 7 -28.092 35.498 157.883
40 HA LEU 7 HA LEU 7 -28.038 33.649 159.250
41 HB2 LEU 7 HB2 LEU 7 -27.506 32.583 156.909
42 HB3 LEU 7 HB3 LEU 7 -25.883 32.409 157.579
43 HG LEU 7 HG LEU 7 -27.254 31.471 159.671
44 HD11 LEU 7 HD11 LEU 7 -29.192 30.162 158.911
45 HD12 LEU 7 HD12 LEU 7 -28.991 30.794 157.276
46 HD13 LEU 7 HD13 LEU 7 -29.449 31.877 158.591
47 HD21 LEU 7 HD21 LEU 7 -25.549 30.174 158.584
48 HD22 LEU 7 HD22 LEU 7 -26.521 30.005 157.122
49 HD23 LEU 7 HD23 LEU 7 -26.999 29.172 158.602
50 H LYS 8 H LYS 8 -25.506 32.016 159.489
51 HA LYS 8 HA LYS 8 -23.681 31.946 160.880
52 HB2 LYS 8 HB2 LYS 8 -23.346 34.876 160.213
53 HB3 LYS 8 HB3 LYS 8 -22.096 33.736 160.713
54 HG2 LYS 8 HG2 LYS 8 -23.310 32.540 158.484
55 HG3 LYS 8 HG3 LYS 8 -23.149 34.243 158.055
56 HD2 LYS 8 HD2 LYS 8 -21.104 33.154 157.398
57 HD3 LYS 8 HD3 LYS 8 -20.743 34.113 158.834
58 HE2 LYS 8 HE2 LYS 8 -19.955 32.235 159.796
59 HE3 LYS 8 HE3 LYS 8 -21.611 31.626 159.813
60 HZ1 LYS 8 HZ1 LYS 8 -20.968 30.083 158.381
61 HZ2 LYS 8 HZ2 LYS 8 -19.420 30.770 158.245
62 HZ3 LYS 8 HZ3 LYS 8 -20.678 31.294 157.230
63 HN1 NH2 9 HN1 NH2 9 -23.078 33.696 163.514
64 HN2 NH2 9 HN2 NH2 9 -23.552 35.119 162.719
Start of MODEL 65
1 H1 ACE 1 H1 ACE 1 -32.560 46.835 153.901
2 H2 ACE 1 H2 ACE 1 -34.297 47.137 153.956
3 H3 ACE 1 H3 ACE 1 -33.283 48.022 152.817
4 HA PRO 2 HA PRO 2 -33.501 44.725 149.880
5 HB2 PRO 2 HB2 PRO 2 -30.785 43.762 149.845
6 HB3 PRO 2 HB3 PRO 2 -31.556 44.909 148.739
7 HG2 PRO 2 HG2 PRO 2 -29.565 45.518 150.555
8 HG3 PRO 2 HG3 PRO 2 -30.650 46.683 149.783
9 HD2 PRO 2 HD2 PRO 2 -30.737 45.575 152.551
10 HD3 PRO 2 HD3 PRO 2 -31.273 47.160 151.948
11 H THR 3 H THR 3 -34.032 42.574 149.672
12 HA THR 3 HA THR 3 -34.239 40.954 151.946
13 HB THR 3 HB THR 3 -34.173 39.942 149.101
14 HG1 THR 3 HG1 THR 3 -36.612 40.509 150.097
15 HG21 THR 3 HG21 THR 3 -34.495 38.625 151.505
16 HG22 THR 3 HG22 THR 3 -35.075 38.046 149.944
17 HG23 THR 3 HG23 THR 3 -36.159 38.938 151.012
18 H THR 4 H THR 4 -32.056 41.091 152.826
19 HA THR 4 HA THR 4 -30.435 38.838 151.925
20 HB THR 4 HB THR 4 -28.494 40.769 152.398
21 HG1 THR 4 HG1 THR 4 -30.031 41.916 150.418
22 HG21 THR 4 HG21 THR 4 -28.287 39.038 150.736
23 HG22 THR 4 HG22 THR 4 -28.165 40.585 149.900
24 HG23 THR 4 HG23 THR 4 -29.667 39.664 149.835
25 H THR 5 H THR 5 -30.130 37.686 153.712
26 HA THR 5 HA THR 5 -29.049 38.925 156.097
27 HB THR 5 HB THR 5 -31.299 39.322 156.684
28 HG1 THR 5 HG1 THR 5 -31.642 37.811 158.336
29 HG21 THR 5 HG21 THR 5 -32.800 38.307 155.323
30 HG22 THR 5 HG22 THR 5 -32.754 36.996 156.503
31 HG23 THR 5 HG23 THR 5 -31.750 36.916 155.056
32 HA PRO 6 HA PRO 6 -27.765 34.554 155.283
33 HB2 PRO 6 HB2 PRO 6 -25.023 35.434 155.380
34 HB3 PRO 6 HB3 PRO 6 -25.921 34.800 153.994
35 HG2 PRO 6 HG2 PRO 6 -25.030 37.398 154.277
36 HG3 PRO 6 HG3 PRO 6 -26.290 36.855 153.159
37 HD2 PRO 6 HD2 PRO 6 -26.570 38.273 155.768
38 HD3 PRO 6 HD3 PRO 6 -27.616 38.329 154.331
39 H LEU 7 H LEU 7 -26.909 33.090 156.783
40 HA LEU 7 HA LEU 7 -26.723 34.083 159.506
41 HB2 LEU 7 HB2 LEU 7 -27.930 31.943 158.752
42 HB3 LEU 7 HB3 LEU 7 -26.321 31.229 158.628
43 HG LEU 7 HG LEU 7 -26.086 32.321 161.066
44 HD11 LEU 7 HD11 LEU 7 -28.955 31.428 161.131
45 HD12 LEU 7 HD12 LEU 7 -28.572 33.096 160.703
46 HD13 LEU 7 HD13 LEU 7 -28.084 32.454 162.272
47 HD21 LEU 7 HD21 LEU 7 -25.685 29.985 160.661
48 HD22 LEU 7 HD22 LEU 7 -27.388 29.691 160.309
49 HD23 LEU 7 HD23 LEU 7 -26.880 30.072 161.955
50 H LYS 8 H LYS 8 -24.867 34.719 160.379
51 HA LYS 8 HA LYS 8 -22.621 34.957 160.798
52 HB2 LYS 8 HB2 LYS 8 -22.602 32.050 159.951
53 HB3 LYS 8 HB3 LYS 8 -21.292 32.875 160.797
54 HG2 LYS 8 HG2 LYS 8 -24.032 33.027 161.979
55 HG3 LYS 8 HG3 LYS 8 -23.150 31.508 162.133
56 HD2 LYS 8 HD2 LYS 8 -21.236 32.716 163.121
57 HD3 LYS 8 HD3 LYS 8 -22.123 34.235 162.976
58 HE2 LYS 8 HE2 LYS 8 -22.755 33.738 165.119
59 HE3 LYS 8 HE3 LYS 8 -23.967 32.758 164.294
60 HZ1 LYS 8 HZ1 LYS 8 -21.312 31.631 164.883
61 HZ2 LYS 8 HZ2 LYS 8 -22.796 30.830 164.669
62 HZ3 LYS 8 HZ3 LYS 8 -22.490 31.691 166.102
63 HN1 NH2 9 HN1 NH2 9 -20.510 33.757 157.838
64 HN2 NH2 9 HN2 NH2 9 -21.737 32.629 158.160
Start of MODEL 66
1 H1 ACE 1 H1 ACE 1 -31.532 48.180 148.717
2 H2 ACE 1 H2 ACE 1 -32.065 47.507 147.176
3 H3 ACE 1 H3 ACE 1 -30.505 47.037 147.853
4 HA PRO 2 HA PRO 2 -34.232 44.092 148.847
5 HB2 PRO 2 HB2 PRO 2 -32.452 41.983 148.021
6 HB3 PRO 2 HB3 PRO 2 -33.982 42.478 147.281
7 HG2 PRO 2 HG2 PRO 2 -31.243 43.089 146.476
8 HG3 PRO 2 HG3 PRO 2 -32.743 43.185 145.543
9 HD2 PRO 2 HD2 PRO 2 -31.360 45.395 146.385
10 HD3 PRO 2 HD3 PRO 2 -33.119 45.390 146.125
11 H THR 3 H THR 3 -34.327 43.246 150.861
12 HA THR 3 HA THR 3 -32.030 43.389 152.583
13 HB THR 3 HB THR 3 -34.325 43.892 153.373
14 HG1 THR 3 HG1 THR 3 -33.077 43.348 155.029
15 HG21 THR 3 HG21 THR 3 -35.277 41.941 151.951
16 HG22 THR 3 HG22 THR 3 -36.000 42.246 153.530
17 HG23 THR 3 HG23 THR 3 -34.847 40.926 153.327
18 H THR 4 H THR 4 -31.314 41.558 153.927
19 HA THR 4 HA THR 4 -31.749 38.890 152.832
20 HB THR 4 HB THR 4 -29.312 38.488 152.561
21 HG1 THR 4 HG1 THR 4 -28.068 39.940 153.390
22 HG21 THR 4 HG21 THR 4 -30.872 39.239 150.681
23 HG22 THR 4 HG22 THR 4 -29.149 39.499 150.410
24 HG23 THR 4 HG23 THR 4 -30.180 40.848 150.887
25 H THR 5 H THR 5 -31.777 37.430 154.426
26 HA THR 5 HA THR 5 -31.157 38.276 157.130
27 HB THR 5 HB THR 5 -32.235 36.282 157.830
28 HG1 THR 5 HG1 THR 5 -31.542 34.618 156.740
29 HG21 THR 5 HG21 THR 5 -33.468 38.060 156.128
30 HG22 THR 5 HG22 THR 5 -34.298 36.810 157.057
31 HG23 THR 5 HG23 THR 5 -33.842 36.507 155.380
32 HA PRO 6 HA PRO 6 -27.045 36.551 156.724
33 HB2 PRO 6 HB2 PRO 6 -26.459 37.605 159.342
34 HB3 PRO 6 HB3 PRO 6 -25.922 38.215 157.770
35 HG2 PRO 6 HG2 PRO 6 -27.687 39.489 159.469
36 HG3 PRO 6 HG3 PRO 6 -27.488 39.828 157.744
37 HD2 PRO 6 HD2 PRO 6 -29.637 38.288 159.123
38 HD3 PRO 6 HD3 PRO 6 -29.712 39.244 157.625
39 H LEU 7 H LEU 7 -26.127 34.674 157.458
40 HA LEU 7 HA LEU 7 -27.588 33.228 159.566
41 HB2 LEU 7 HB2 LEU 7 -27.390 32.110 157.379
42 HB3 LEU 7 HB3 LEU 7 -25.633 32.203 157.494
43 HG LEU 7 HG LEU 7 -26.759 31.059 159.909
44 HD11 LEU 7 HD11 LEU 7 -27.342 29.625 157.299
45 HD12 LEU 7 HD12 LEU 7 -28.555 30.323 158.373
46 HD13 LEU 7 HD13 LEU 7 -27.576 28.959 158.915
47 HD21 LEU 7 HD21 LEU 7 -24.914 29.983 157.752
48 HD22 LEU 7 HD22 LEU 7 -25.137 29.272 159.350
49 HD23 LEU 7 HD23 LEU 7 -24.408 30.870 159.189
50 H LYS 8 H LYS 8 -24.202 33.301 158.432
51 HA LYS 8 HA LYS 8 -23.262 32.781 161.132
52 HB2 LYS 8 HB2 LYS 8 -22.205 31.688 159.173
53 HB3 LYS 8 HB3 LYS 8 -21.691 33.273 158.590
54 HG2 LYS 8 HG2 LYS 8 -20.330 33.626 160.563
55 HG3 LYS 8 HG3 LYS 8 -20.952 32.152 161.307
56 HD2 LYS 8 HD2 LYS 8 -20.004 30.876 159.332
57 HD3 LYS 8 HD3 LYS 8 -19.201 32.369 158.846
58 HE2 LYS 8 HE2 LYS 8 -17.682 30.969 160.186
59 HE3 LYS 8 HE3 LYS 8 -18.062 32.465 161.040
60 HZ1 LYS 8 HZ1 LYS 8 -19.938 30.375 161.585
61 HZ2 LYS 8 HZ2 LYS 8 -19.062 31.351 162.664
62 HZ3 LYS 8 HZ3 LYS 8 -18.358 29.944 162.023
63 HN1 NH2 9 HN1 NH2 9 -23.984 35.880 161.636
64 HN2 NH2 9 HN2 NH2 9 -22.764 35.137 162.551
Start of MODEL 67
1 H1 ACE 1 H1 ACE 1 -31.126 38.538 150.425
2 H2 ACE 1 H2 ACE 1 -29.651 38.915 149.535
3 H3 ACE 1 H3 ACE 1 -31.205 38.906 148.701
4 HA PRO 2 HA PRO 2 -32.036 43.062 149.959
5 HB2 PRO 2 HB2 PRO 2 -34.256 42.715 151.765
6 HB3 PRO 2 HB3 PRO 2 -34.297 43.139 150.046
7 HG2 PRO 2 HG2 PRO 2 -35.184 40.761 151.136
8 HG3 PRO 2 HG3 PRO 2 -34.790 41.033 149.432
9 HD2 PRO 2 HD2 PRO 2 -33.194 39.645 151.533
10 HD3 PRO 2 HD3 PRO 2 -33.244 39.362 149.779
11 H THR 3 H THR 3 -30.294 43.758 151.170
12 HA THR 3 HA THR 3 -29.215 44.627 153.007
13 HB THR 3 HB THR 3 -31.552 44.005 154.772
14 HG1 THR 3 HG1 THR 3 -31.573 46.273 153.131
15 HG21 THR 3 HG21 THR 3 -30.865 45.923 155.913
16 HG22 THR 3 HG22 THR 3 -30.088 46.613 154.488
17 HG23 THR 3 HG23 THR 3 -29.329 45.270 155.344
18 H THR 4 H THR 4 -31.305 42.097 154.416
19 HA THR 4 HA THR 4 -28.979 40.405 154.905
20 HB THR 4 HB THR 4 -30.213 40.346 157.383
21 HG1 THR 4 HG1 THR 4 -29.940 42.749 157.794
22 HG21 THR 4 HG21 THR 4 -28.142 41.511 158.130
23 HG22 THR 4 HG22 THR 4 -27.783 41.895 156.447
24 HG23 THR 4 HG23 THR 4 -27.811 40.215 156.981
25 H THR 5 H THR 5 -29.501 38.250 155.171
26 HA THR 5 HA THR 5 -32.245 37.414 155.569
27 HB THR 5 HB THR 5 -31.352 36.118 153.154
28 HG1 THR 5 HG1 THR 5 -31.761 38.907 152.943
29 HG21 THR 5 HG21 THR 5 -33.687 37.944 153.786
30 HG22 THR 5 HG22 THR 5 -33.667 36.192 153.980
31 HG23 THR 5 HG23 THR 5 -33.560 36.901 152.369
32 HA PRO 6 HA PRO 6 -29.206 33.701 155.407
33 HB2 PRO 6 HB2 PRO 6 -26.510 34.690 155.162
34 HB3 PRO 6 HB3 PRO 6 -27.414 33.680 154.025
35 HG2 PRO 6 HG2 PRO 6 -26.647 36.297 153.590
36 HG3 PRO 6 HG3 PRO 6 -27.909 35.431 152.703
37 HD2 PRO 6 HD2 PRO 6 -28.189 37.467 154.864
38 HD3 PRO 6 HD3 PRO 6 -29.276 37.101 153.505
39 H LEU 7 H LEU 7 -28.367 32.729 157.240
40 HA LEU 7 HA LEU 7 -28.482 33.955 159.691
41 HB2 LEU 7 HB2 LEU 7 -27.335 32.065 160.594
42 HB3 LEU 7 HB3 LEU 7 -28.259 31.474 159.212
43 HG LEU 7 HG LEU 7 -25.318 32.216 159.182
44 HD11 LEU 7 HD11 LEU 7 -26.764 29.761 159.802
45 HD12 LEU 7 HD12 LEU 7 -25.047 30.122 159.982
46 HD13 LEU 7 HD13 LEU 7 -25.670 29.547 158.436
47 HD21 LEU 7 HD21 LEU 7 -26.058 32.649 157.002
48 HD22 LEU 7 HD22 LEU 7 -27.297 31.394 157.070
49 HD23 LEU 7 HD23 LEU 7 -25.599 30.949 156.897
50 H LYS 8 H LYS 8 -26.138 34.443 157.291
51 HA LYS 8 HA LYS 8 -24.643 36.221 159.035
52 HB2 LYS 8 HB2 LYS 8 -23.642 33.580 158.281
53 HB3 LYS 8 HB3 LYS 8 -22.556 34.887 157.804
54 HG2 LYS 8 HG2 LYS 8 -22.597 35.778 160.096
55 HG3 LYS 8 HG3 LYS 8 -23.707 34.497 160.583
56 HD2 LYS 8 HD2 LYS 8 -22.057 32.798 160.180
57 HD3 LYS 8 HD3 LYS 8 -20.977 33.951 159.393
58 HE2 LYS 8 HE2 LYS 8 -20.428 35.010 161.417
59 HE3 LYS 8 HE3 LYS 8 -21.859 34.387 162.239
60 HZ1 LYS 8 HZ1 LYS 8 -19.729 33.267 162.837
61 HZ2 LYS 8 HZ2 LYS 8 -19.661 32.659 161.251
62 HZ3 LYS 8 HZ3 LYS 8 -20.941 32.220 162.279
63 HN1 NH2 9 HN1 NH2 9 -23.843 36.120 155.011
64 HN2 NH2 9 HN2 NH2 9 -23.462 34.785 155.986