Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
635926 | 6qb1 RC | 34343 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H LEU 1 6.418 -0.937 0.273
2 HA LEU 1 HA LEU 1 5.733 -2.067 -2.078
3 HB2 LEU 1 2HB LEU 1 3.329 -2.281 -2.130
4 HB3 LEU 1 3HB LEU 1 4.008 -3.334 -0.890
5 HG LEU 1 HG LEU 1 3.316 -0.896 0.368
6 HD11 LEU 1 1HD1 LEU 1 1.768 -0.186 -1.168
7 HD12 LEU 1 2HD1 LEU 1 0.766 -1.201 -0.132
8 HD13 LEU 1 3HD1 LEU 1 1.353 -1.824 -1.674
9 HD21 LEU 1 1HD2 LEU 1 2.528 -3.753 0.461
10 HD22 LEU 1 2HD2 LEU 1 1.468 -2.589 1.256
11 HD23 LEU 1 3HD2 LEU 1 3.163 -2.708 1.732
12 H GLY 2 H GLY 2 4.424 -0.642 -3.529
13 HA2 GLY 2 2HA GLY 2 3.372 1.494 -3.904
14 HA3 GLY 2 3HA GLY 2 4.237 2.115 -2.505
15 H GLN 3 H GLN 3 6.406 2.720 -2.707
16 HA GLN 3 HA GLN 3 7.499 2.721 -5.433
17 HB2 GLN 3 2HB GLN 3 7.513 5.106 -3.576
18 HB3 GLN 3 3HB GLN 3 8.211 5.039 -5.189
19 HG2 GLN 3 2HG GLN 3 5.636 4.304 -5.673
20 HG3 GLN 3 3HG GLN 3 5.444 5.453 -4.350
21 HE21 GLN 3 1HE2 GLN 3 7.208 7.350 -4.746
22 HE22 GLN 3 2HE2 GLN 3 7.011 8.116 -6.282
23 H GLN 4 H GLN 4 8.080 1.097 -3.068
24 HA GLN 4 HA GLN 4 10.756 2.026 -2.323
25 HB2 GLN 4 2HB GLN 4 8.867 1.076 -0.710
26 HB3 GLN 4 3HB GLN 4 9.581 -0.461 -1.180
27 HG2 GLN 4 2HG GLN 4 11.687 0.139 -0.289
28 HG3 GLN 4 3HG GLN 4 11.197 1.820 -0.085
29 HE21 GLN 4 1HE2 GLN 4 10.123 2.422 1.722
30 HE22 GLN 4 2HE2 GLN 4 9.758 1.356 3.032
31 H GLN 5 H GLN 5 12.593 0.740 -2.601
32 HA GLN 5 HA GLN 5 12.336 -1.717 -4.149
33 HB2 GLN 5 2HB GLN 5 14.217 -0.816 -5.671
34 HB3 GLN 5 3HB GLN 5 12.568 -0.286 -5.976
35 HG2 GLN 5 2HG GLN 5 14.001 1.441 -4.122
36 HG3 GLN 5 3HG GLN 5 14.760 1.335 -5.710
37 HE21 GLN 5 1HE2 GLN 5 14.228 3.142 -6.726
38 HE22 GLN 5 2HE2 GLN 5 12.627 3.765 -6.903
39 HA PRO 6 HA PRO 6 15.748 -3.075 -1.750
40 HB2 PRO 6 2HB PRO 6 17.038 -4.712 -3.490
41 HB3 PRO 6 3HB PRO 6 15.492 -5.131 -2.744
42 HG2 PRO 6 2HG PRO 6 16.042 -4.027 -5.472
43 HG3 PRO 6 3HG PRO 6 14.921 -5.314 -4.991
44 HD2 PRO 6 2HD PRO 6 14.102 -2.782 -5.492
45 HD3 PRO 6 3HD PRO 6 13.309 -3.823 -4.292
46 H ALA 7 H ALA 7 16.726 -0.924 -1.668
47 HA ALA 7 HA ALA 7 18.559 0.032 -3.569
48 HB1 ALA 7 1HB ALA 7 19.470 1.143 -1.278
49 HB2 ALA 7 2HB ALA 7 18.080 1.740 -2.186
50 HB3 ALA 7 3HB ALA 7 17.837 0.683 -0.795
51 HA PRO 8 HA PRO 8 22.252 -2.254 -2.947
52 HB2 PRO 8 2HB PRO 8 24.165 -0.335 -3.123
53 HB3 PRO 8 3HB PRO 8 23.242 -0.902 -4.519
54 HG2 PRO 8 2HG PRO 8 22.839 1.552 -2.853
55 HG3 PRO 8 3HG PRO 8 22.766 1.372 -4.616
56 HD2 PRO 8 2HD PRO 8 20.547 1.471 -3.068
57 HD3 PRO 8 3HD PRO 8 20.625 0.521 -4.566
58 HA PRO 9 HA PRO 9 23.693 -2.159 1.206
59 HB2 PRO 9 2HB PRO 9 26.298 -2.880 0.956
60 HB3 PRO 9 3HB PRO 9 24.961 -4.011 0.719
61 HG2 PRO 9 2HG PRO 9 26.575 -2.531 -1.322
62 HG3 PRO 9 3HG PRO 9 26.039 -4.221 -1.331
63 HD2 PRO 9 2HD PRO 9 24.778 -2.286 -2.744
64 HD3 PRO 9 3HD PRO 9 23.919 -3.677 -2.052
65 H GLN 10 H GLN 10 24.522 -0.763 2.684
66 HA GLN 10 HA GLN 10 26.058 1.517 1.636
67 HB2 GLN 10 2HB GLN 10 23.751 1.345 3.335
68 HB3 GLN 10 3HB GLN 10 25.065 2.116 4.214
69 HG2 GLN 10 2HG GLN 10 25.311 3.761 2.447
70 HG3 GLN 10 3HG GLN 10 24.040 2.970 1.516
71 HE21 GLN 10 1HE2 GLN 10 23.632 5.517 1.927
72 HE22 GLN 10 2HE2 GLN 10 22.454 5.806 3.158
73 H GLN 11 H GLN 11 28.159 1.311 2.037
74 HA GLN 11 HA GLN 11 29.001 0.650 4.761
75 HB2 GLN 11 2HB GLN 11 30.884 -0.729 3.751
76 HB3 GLN 11 3HB GLN 11 29.281 -1.452 3.721
77 HG2 GLN 11 2HG GLN 11 29.271 -1.576 1.506
78 HG3 GLN 11 3HG GLN 11 29.821 0.089 1.331
79 HE21 GLN 11 1HE2 GLN 11 31.189 -0.461 -0.367
80 HE22 GLN 11 2HE2 GLN 11 32.668 -1.317 -0.113
81 HA PRO 12 HA PRO 12 31.128 4.382 2.987
82 HB2 PRO 12 2HB PRO 12 30.710 5.948 5.165
83 HB3 PRO 12 3HB PRO 12 29.538 5.799 3.849
84 HG2 PRO 12 2HG PRO 12 29.579 4.435 6.514
85 HG3 PRO 12 3HG PRO 12 28.211 5.160 5.649
86 HD2 PRO 12 2HD PRO 12 28.673 2.492 5.670
87 HD3 PRO 12 3HD PRO 12 27.939 3.323 4.283
88 H TYR 13 H TYR 13 33.257 4.667 3.258
89 HA TYR 13 HA TYR 13 34.614 3.269 5.386
90 HB2 TYR 13 2HB TYR 13 35.261 4.029 2.767
91 HB3 TYR 13 3HB TYR 13 36.336 4.968 3.798
92 HD1 TYR 13 HD1 TYR 13 35.694 1.765 2.334
93 HD2 TYR 13 HD2 TYR 13 37.737 3.712 5.517
94 HE1 TYR 13 HE1 TYR 13 37.149 -0.200 2.594
95 HE2 TYR 13 HE2 TYR 13 39.199 1.753 5.785
96 HH TYR 13 HH TYR 13 39.988 -0.189 4.181
Start of MODEL 2
1 H1 LEU 1 H LEU 1 1.807 0.000 0.855
2 HA LEU 1 HA LEU 1 2.493 -0.993 -1.385
3 HB2 LEU 1 2HB LEU 1 1.812 0.492 -3.290
4 HB3 LEU 1 3HB LEU 1 0.529 -0.495 -2.593
5 HG LEU 1 HG LEU 1 0.589 2.096 -1.341
6 HD11 LEU 1 1HD1 LEU 1 0.273 2.087 -4.339
7 HD12 LEU 1 2HD1 LEU 1 1.592 2.839 -3.441
8 HD13 LEU 1 3HD1 LEU 1 -0.055 3.446 -3.262
9 HD21 LEU 1 1HD2 LEU 1 -1.758 2.011 -2.572
10 HD22 LEU 1 2HD2 LEU 1 -1.420 1.046 -1.135
11 HD23 LEU 1 3HD2 LEU 1 -1.326 0.309 -2.735
12 H GLY 2 H GLY 2 4.442 -0.278 -2.161
13 HA2 GLY 2 2HA GLY 2 5.335 2.358 -2.292
14 HA3 GLY 2 3HA GLY 2 5.772 1.750 -0.702
15 H GLN 3 H GLN 3 7.183 2.421 -3.411
16 HA GLN 3 HA GLN 3 8.703 -0.083 -3.648
17 HB2 GLN 3 2HB GLN 3 8.260 2.225 -5.518
18 HB3 GLN 3 3HB GLN 3 9.624 1.138 -5.740
19 HG2 GLN 3 2HG GLN 3 8.277 -0.662 -6.262
20 HG3 GLN 3 3HG GLN 3 6.865 0.034 -5.469
21 HE21 GLN 3 1HE2 GLN 3 6.503 2.404 -6.515
22 HE22 GLN 3 2HE2 GLN 3 6.302 2.341 -8.230
23 H GLN 4 H GLN 4 9.147 1.549 -1.407
24 HA GLN 4 HA GLN 4 11.544 3.100 -1.927
25 HB2 GLN 4 2HB GLN 4 11.479 3.549 0.515
26 HB3 GLN 4 3HB GLN 4 9.993 3.996 -0.312
27 HG2 GLN 4 2HG GLN 4 8.765 2.396 0.724
28 HG3 GLN 4 3HG GLN 4 10.127 1.286 0.868
29 HE21 GLN 4 1HE2 GLN 4 10.154 0.839 2.979
30 HE22 GLN 4 2HE2 GLN 4 10.294 2.011 4.240
31 H GLN 5 H GLN 5 12.267 0.762 -2.760
32 HA GLN 5 HA GLN 5 13.945 -0.323 -0.606
33 HB2 GLN 5 2HB GLN 5 11.886 -1.759 -1.306
34 HB3 GLN 5 3HB GLN 5 12.843 -2.124 -2.735
35 HG2 GLN 5 2HG GLN 5 13.374 -3.875 -1.356
36 HG3 GLN 5 3HG GLN 5 14.687 -2.748 -1.021
37 HE21 GLN 5 1HE2 GLN 5 15.117 -2.407 1.031
38 HE22 GLN 5 2HE2 GLN 5 14.028 -2.631 2.354
39 HA PRO 6 HA PRO 6 16.404 0.904 -4.367
40 HB2 PRO 6 2HB PRO 6 18.256 2.336 -2.992
41 HB3 PRO 6 3HB PRO 6 16.741 3.035 -3.576
42 HG2 PRO 6 2HG PRO 6 17.441 2.047 -0.838
43 HG3 PRO 6 3HG PRO 6 16.561 3.514 -1.307
44 HD2 PRO 6 2HD PRO 6 15.306 1.278 -0.436
45 HD3 PRO 6 3HD PRO 6 14.583 2.375 -1.630
46 H ALA 7 H ALA 7 18.674 0.402 -4.822
47 HA ALA 7 HA ALA 7 19.779 -1.633 -2.999
48 HB1 ALA 7 1HB ALA 7 18.675 -2.368 -5.270
49 HB2 ALA 7 2HB ALA 7 20.231 -1.867 -5.932
50 HB3 ALA 7 3HB ALA 7 20.162 -3.122 -4.696
51 HA PRO 8 HA PRO 8 22.904 1.721 -3.829
52 HB2 PRO 8 2HB PRO 8 23.601 2.053 -1.226
53 HB3 PRO 8 3HB PRO 8 22.254 2.917 -1.978
54 HG2 PRO 8 2HG PRO 8 22.208 0.471 -0.252
55 HG3 PRO 8 3HG PRO 8 21.141 1.887 -0.215
56 HD2 PRO 8 2HD PRO 8 20.425 -0.446 -1.388
57 HD3 PRO 8 3HD PRO 8 19.869 1.132 -1.982
58 HA PRO 9 HA PRO 9 26.448 -0.872 -3.599
59 HB2 PRO 9 2HB PRO 9 28.427 0.870 -2.951
60 HB3 PRO 9 3HB PRO 9 27.656 0.840 -4.541
61 HG2 PRO 9 2HG PRO 9 27.139 2.658 -2.220
62 HG3 PRO 9 3HG PRO 9 27.267 3.053 -3.943
63 HD2 PRO 9 2HD PRO 9 24.886 2.804 -2.679
64 HD3 PRO 9 3HD PRO 9 25.108 2.377 -4.387
65 H GLN 10 H GLN 10 27.484 -2.178 -2.178
66 HA GLN 10 HA GLN 10 26.809 -2.130 0.545
67 HB2 GLN 10 2HB GLN 10 28.179 -3.871 -1.227
68 HB3 GLN 10 3HB GLN 10 29.227 -3.612 0.161
69 HG2 GLN 10 2HG GLN 10 26.423 -4.149 0.824
70 HG3 GLN 10 3HG GLN 10 27.268 -5.474 0.025
71 HE21 GLN 10 1HE2 GLN 10 26.363 -4.582 2.908
72 HE22 GLN 10 2HE2 GLN 10 27.695 -5.103 3.876
73 H GLN 11 H GLN 11 28.138 -1.815 2.401
74 HA GLN 11 HA GLN 11 29.502 -0.542 3.705
75 HB2 GLN 11 2HB GLN 11 31.328 -1.137 1.381
76 HB3 GLN 11 3HB GLN 11 31.874 -0.286 2.820
77 HG2 GLN 11 2HG GLN 11 32.055 -2.166 3.988
78 HG3 GLN 11 3HG GLN 11 30.476 -2.744 3.459
79 HE21 GLN 11 1HE2 GLN 11 33.255 -3.953 3.720
80 HE22 GLN 11 2HE2 GLN 11 33.499 -4.753 2.208
81 HA PRO 12 HA PRO 12 28.484 3.265 1.214
82 HB2 PRO 12 2HB PRO 12 26.794 4.322 3.058
83 HB3 PRO 12 3HB PRO 12 26.265 3.189 1.808
84 HG2 PRO 12 2HG PRO 12 26.917 2.669 4.683
85 HG3 PRO 12 3HG PRO 12 25.571 2.047 3.711
86 HD2 PRO 12 2HD PRO 12 27.788 0.583 4.235
87 HD3 PRO 12 3HD PRO 12 26.872 0.420 2.723
88 H TYR 13 H TYR 13 30.709 3.814 1.665
89 HA TYR 13 HA TYR 13 31.098 5.310 4.170
90 HB2 TYR 13 2HB TYR 13 32.645 3.318 3.293
91 HB3 TYR 13 3HB TYR 13 33.407 4.639 2.414
92 HD1 TYR 13 HD1 TYR 13 32.645 3.302 5.760
93 HD2 TYR 13 HD2 TYR 13 34.722 6.288 3.554
94 HE1 TYR 13 HE1 TYR 13 33.920 3.897 7.777
95 HE2 TYR 13 HE2 TYR 13 36.004 6.891 5.564
96 HH TYR 13 HH TYR 13 36.653 5.994 7.671
Start of MODEL 3
1 H1 LEU 1 H LEU 1 0.934 4.449 -6.202
2 HA LEU 1 HA LEU 1 2.079 3.521 -4.184
3 HB2 LEU 1 2HB LEU 1 0.590 1.495 -3.946
4 HB3 LEU 1 3HB LEU 1 -0.215 3.032 -4.254
5 HG LEU 1 HG LEU 1 0.160 1.903 -6.776
6 HD11 LEU 1 1HD1 LEU 1 0.583 -0.269 -6.164
7 HD12 LEU 1 2HD1 LEU 1 -1.177 -0.285 -6.271
8 HD13 LEU 1 3HD1 LEU 1 -0.390 -0.162 -4.697
9 HD21 LEU 1 1HD2 LEU 1 -2.378 1.614 -5.218
10 HD22 LEU 1 2HD2 LEU 1 -2.150 2.033 -6.916
11 HD23 LEU 1 3HD2 LEU 1 -1.771 3.210 -5.657
12 H GLY 2 H GLY 2 2.912 1.450 -3.284
13 HA2 GLY 2 2HA GLY 2 4.304 -0.387 -3.334
14 HA3 GLY 2 3HA GLY 2 3.955 -0.540 -5.050
15 H GLN 3 H GLN 3 6.046 0.922 -2.660
16 HA GLN 3 HA GLN 3 8.215 0.995 -4.540
17 HB2 GLN 3 2HB GLN 3 6.748 3.203 -4.703
18 HB3 GLN 3 3HB GLN 3 7.691 3.648 -3.286
19 HG2 GLN 3 2HG GLN 3 9.741 3.419 -4.505
20 HG3 GLN 3 3HG GLN 3 8.884 2.778 -5.906
21 HE21 GLN 3 1HE2 GLN 3 9.082 5.628 -3.822
22 HE22 GLN 3 2HE2 GLN 3 8.739 6.779 -5.064
23 H GLN 4 H GLN 4 9.213 -0.377 -3.061
24 HA GLN 4 HA GLN 4 10.601 0.953 -0.928
25 HB2 GLN 4 2HB GLN 4 8.284 0.175 -0.033
26 HB3 GLN 4 3HB GLN 4 8.995 -1.433 -0.072
27 HG2 GLN 4 2HG GLN 4 9.944 -1.064 1.884
28 HG3 GLN 4 3HG GLN 4 10.842 0.290 1.200
29 HE21 GLN 4 1HE2 GLN 4 9.446 2.324 0.956
30 HE22 GLN 4 2HE2 GLN 4 8.477 2.734 2.326
31 H GLN 5 H GLN 5 12.605 0.198 -0.977
32 HA GLN 5 HA GLN 5 13.148 -2.625 -1.187
33 HB2 GLN 5 2HB GLN 5 14.728 -2.244 -3.153
34 HB3 GLN 5 3HB GLN 5 13.007 -2.284 -3.514
35 HG2 GLN 5 2HG GLN 5 14.213 0.359 -2.951
36 HG3 GLN 5 3HG GLN 5 14.633 -0.421 -4.475
37 HE21 GLN 5 1HE2 GLN 5 13.409 1.820 -4.834
38 HE22 GLN 5 2HE2 GLN 5 11.739 1.627 -5.234
39 HA PRO 6 HA PRO 6 16.128 -0.112 1.336
40 HB2 PRO 6 2HB PRO 6 15.995 -1.718 3.521
41 HB3 PRO 6 3HB PRO 6 14.867 -0.387 3.237
42 HG2 PRO 6 2HG PRO 6 14.506 -3.315 2.732
43 HG3 PRO 6 3HG PRO 6 13.368 -2.153 3.437
44 HD2 PRO 6 2HD PRO 6 13.218 -2.957 0.856
45 HD3 PRO 6 3HD PRO 6 12.739 -1.329 1.378
46 H ALA 7 H ALA 7 17.965 -0.641 0.218
47 HA ALA 7 HA ALA 7 19.607 -2.702 1.227
48 HB1 ALA 7 1HB ALA 7 19.777 -3.879 -1.096
49 HB2 ALA 7 2HB ALA 7 18.511 -4.342 0.041
50 HB3 ALA 7 3HB ALA 7 18.135 -3.268 -1.307
51 HA PRO 8 HA PRO 8 21.613 0.861 -1.005
52 HB2 PRO 8 2HB PRO 8 23.168 1.613 1.090
53 HB3 PRO 8 3HB PRO 8 21.518 2.203 0.858
54 HG2 PRO 8 2HG PRO 8 22.515 0.017 2.645
55 HG3 PRO 8 3HG PRO 8 21.326 1.287 2.987
56 HD2 PRO 8 2HD PRO 8 20.610 -1.248 2.363
57 HD3 PRO 8 3HD PRO 8 19.625 0.160 1.916
58 HA PRO 9 HA PRO 9 25.354 -1.235 -1.976
59 HB2 PRO 9 2HB PRO 9 27.123 0.801 -2.281
60 HB3 PRO 9 3HB PRO 9 25.830 0.470 -3.440
61 HG2 PRO 9 2HG PRO 9 25.932 2.502 -1.244
62 HG3 PRO 9 3HG PRO 9 25.340 2.680 -2.906
63 HD2 PRO 9 2HD PRO 9 23.678 2.315 -0.800
64 HD3 PRO 9 3HD PRO 9 23.312 1.697 -2.424
65 H GLN 10 H GLN 10 26.252 -2.461 -0.423
66 HA GLN 10 HA GLN 10 27.151 -1.444 2.077
67 HB2 GLN 10 2HB GLN 10 27.220 -4.086 0.697
68 HB3 GLN 10 3HB GLN 10 28.303 -3.835 2.059
69 HG2 GLN 10 2HG GLN 10 26.306 -4.863 2.857
70 HG3 GLN 10 3HG GLN 10 26.346 -3.198 3.436
71 HE21 GLN 10 1HE2 GLN 10 25.169 -5.059 0.651
72 HE22 GLN 10 2HE2 GLN 10 23.654 -4.236 0.525
73 H GLN 11 H GLN 11 28.657 0.181 1.615
74 HA GLN 11 HA GLN 11 31.353 -0.726 1.372
75 HB2 GLN 11 2HB GLN 11 30.542 -0.646 -1.026
76 HB3 GLN 11 3HB GLN 11 30.384 1.095 -0.831
77 HG2 GLN 11 2HG GLN 11 32.544 1.406 -1.195
78 HG3 GLN 11 3HG GLN 11 32.984 0.209 0.021
79 HE21 GLN 11 1HE2 GLN 11 31.561 0.280 -3.232
80 HE22 GLN 11 2HE2 GLN 11 32.515 -1.015 -3.862
81 HA PRO 12 HA PRO 12 30.581 3.204 3.739
82 HB2 PRO 12 2HB PRO 12 31.796 2.355 6.014
83 HB3 PRO 12 3HB PRO 12 30.090 2.053 5.666
84 HG2 PRO 12 2HG PRO 12 32.443 0.232 5.334
85 HG3 PRO 12 3HG PRO 12 30.832 -0.128 5.982
86 HD2 PRO 12 2HD PRO 12 31.560 -0.765 3.453
87 HD3 PRO 12 3HD PRO 12 29.895 -0.328 3.886
88 H TYR 13 H TYR 13 32.106 4.132 2.246
89 HA TYR 13 HA TYR 13 34.093 5.052 1.621
90 HB2 TYR 13 2HB TYR 13 33.775 6.050 3.902
91 HB3 TYR 13 3HB TYR 13 34.803 4.776 4.547
92 HD1 TYR 13 HD1 TYR 13 37.134 5.016 4.547
93 HD2 TYR 13 HD2 TYR 13 34.770 7.612 2.144
94 HE1 TYR 13 HE1 TYR 13 39.127 6.376 4.066
95 HE2 TYR 13 HE2 TYR 13 36.756 8.978 1.656
96 HH TYR 13 HH TYR 13 38.910 9.319 2.095
Start of MODEL 4
1 H1 LEU 1 H LEU 1 5.319 2.291 3.053
2 HA LEU 1 HA LEU 1 6.523 1.630 1.129
3 HB2 LEU 1 2HB LEU 1 6.317 -0.750 1.008
4 HB3 LEU 1 3HB LEU 1 6.104 -0.246 2.683
5 HG LEU 1 HG LEU 1 3.638 -0.604 1.086
6 HD11 LEU 1 1HD1 LEU 1 4.197 -3.144 2.109
7 HD12 LEU 1 2HD1 LEU 1 5.645 -2.657 1.228
8 HD13 LEU 1 3HD1 LEU 1 4.081 -2.670 0.414
9 HD21 LEU 1 1HD2 LEU 1 3.283 -0.022 3.316
10 HD22 LEU 1 2HD2 LEU 1 4.560 -1.091 3.898
11 HD23 LEU 1 3HD2 LEU 1 3.047 -1.770 3.296
12 H GLY 2 H GLY 2 6.110 -0.017 -0.898
13 HA2 GLY 2 2HA GLY 2 4.688 -0.497 -2.756
14 HA3 GLY 2 3HA GLY 2 3.689 0.876 -2.305
15 H GLN 3 H GLN 3 5.905 -0.210 -4.495
16 HA GLN 3 HA GLN 3 7.072 0.774 -6.181
17 HB2 GLN 3 2HB GLN 3 4.870 2.093 -6.272
18 HB3 GLN 3 3HB GLN 3 5.750 3.380 -5.459
19 HG2 GLN 3 2HG GLN 3 5.656 3.691 -7.886
20 HG3 GLN 3 3HG GLN 3 7.307 3.533 -7.290
21 HE21 GLN 3 1HE2 GLN 3 4.854 2.204 -9.286
22 HE22 GLN 3 2HE2 GLN 3 5.788 0.914 -9.956
23 H GLN 4 H GLN 4 8.513 0.471 -3.938
24 HA GLN 4 HA GLN 4 10.423 2.616 -4.146
25 HB2 GLN 4 2HB GLN 4 8.873 3.489 -2.437
26 HB3 GLN 4 3HB GLN 4 9.129 2.040 -1.475
27 HG2 GLN 4 2HG GLN 4 10.577 3.455 -0.446
28 HG3 GLN 4 3HG GLN 4 11.649 2.762 -1.662
29 HE21 GLN 4 1HE2 GLN 4 9.479 5.490 -1.078
30 HE22 GLN 4 2HE2 GLN 4 10.381 6.635 -2.006
31 H GLN 5 H GLN 5 11.571 0.765 -4.998
32 HA GLN 5 HA GLN 5 12.802 -0.816 -2.851
33 HB2 GLN 5 2HB GLN 5 11.106 -2.161 -4.137
34 HB3 GLN 5 3HB GLN 5 12.107 -1.940 -5.566
35 HG2 GLN 5 2HG GLN 5 12.763 -4.013 -4.814
36 HG3 GLN 5 3HG GLN 5 13.988 -2.955 -4.117
37 HE21 GLN 5 1HE2 GLN 5 14.007 -5.141 -2.864
38 HE22 GLN 5 2HE2 GLN 5 13.111 -5.132 -1.387
39 HA PRO 6 HA PRO 6 15.920 1.352 -5.559
40 HB2 PRO 6 2HB PRO 6 17.305 2.462 -3.504
41 HB3 PRO 6 3HB PRO 6 15.905 3.241 -4.251
42 HG2 PRO 6 2HG PRO 6 16.061 1.649 -1.720
43 HG3 PRO 6 3HG PRO 6 15.193 3.163 -2.039
44 HD2 PRO 6 2HD PRO 6 13.958 0.753 -2.011
45 HD3 PRO 6 3HD PRO 6 13.431 2.084 -3.061
46 H ALA 7 H ALA 7 18.440 1.339 -5.020
47 HA ALA 7 HA ALA 7 19.170 -1.205 -3.755
48 HB1 ALA 7 1HB ALA 7 19.584 -0.439 -6.600
49 HB2 ALA 7 2HB ALA 7 20.830 -1.389 -5.790
50 HB3 ALA 7 3HB ALA 7 19.182 -2.006 -5.897
51 HA PRO 8 HA PRO 8 21.946 2.325 -2.539
52 HB2 PRO 8 2HB PRO 8 21.837 1.806 0.124
53 HB3 PRO 8 3HB PRO 8 20.653 2.822 -0.706
54 HG2 PRO 8 2HG PRO 8 20.450 -0.055 0.095
55 HG3 PRO 8 3HG PRO 8 19.238 1.232 0.230
56 HD2 PRO 8 2HD PRO 8 19.193 -0.608 -1.755
57 HD3 PRO 8 3HD PRO 8 18.622 1.057 -1.984
58 HA PRO 9 HA PRO 9 25.595 -0.075 -2.028
59 HB2 PRO 9 2HB PRO 9 27.065 1.424 -0.308
60 HB3 PRO 9 3HB PRO 9 26.781 1.892 -1.989
61 HG2 PRO 9 2HG PRO 9 25.400 2.827 0.498
62 HG3 PRO 9 3HG PRO 9 25.951 3.771 -0.898
63 HD2 PRO 9 2HD PRO 9 23.366 3.037 -0.565
64 HD3 PRO 9 3HD PRO 9 24.112 3.204 -2.167
65 H GLN 10 H GLN 10 27.211 -0.796 -0.172
66 HA GLN 10 HA GLN 10 25.620 -1.650 2.153
67 HB2 GLN 10 2HB GLN 10 26.981 -3.798 2.051
68 HB3 GLN 10 3HB GLN 10 25.742 -3.594 0.820
69 HG2 GLN 10 2HG GLN 10 27.225 -3.682 -0.828
70 HG3 GLN 10 3HG GLN 10 28.304 -2.542 -0.026
71 HE21 GLN 10 1HE2 GLN 10 28.073 -5.592 -1.176
72 HE22 GLN 10 2HE2 GLN 10 29.287 -6.364 -0.219
73 H GLN 11 H GLN 11 26.598 0.106 3.297
74 HA GLN 11 HA GLN 11 28.113 1.023 4.724
75 HB2 GLN 11 2HB GLN 11 28.102 -1.462 5.449
76 HB3 GLN 11 3HB GLN 11 29.664 -1.549 4.647
77 HG2 GLN 11 2HG GLN 11 30.669 -0.677 6.409
78 HG3 GLN 11 3HG GLN 11 29.610 0.731 6.366
79 HE21 GLN 11 1HE2 GLN 11 27.457 0.438 7.365
80 HE22 GLN 11 2HE2 GLN 11 27.352 -0.528 8.793
81 HA PRO 12 HA PRO 12 31.014 1.700 1.141
82 HB2 PRO 12 2HB PRO 12 30.507 4.357 0.913
83 HB3 PRO 12 3HB PRO 12 29.548 3.122 0.090
84 HG2 PRO 12 2HG PRO 12 28.958 4.600 2.626
85 HG3 PRO 12 3HG PRO 12 27.872 4.211 1.279
86 HD2 PRO 12 2HD PRO 12 27.906 2.787 3.582
87 HD3 PRO 12 3HD PRO 12 27.537 2.051 2.009
88 H TYR 13 H TYR 13 32.671 3.618 1.029
89 HA TYR 13 HA TYR 13 33.523 4.415 3.718
90 HB2 TYR 13 2HB TYR 13 34.718 2.313 2.332
91 HB3 TYR 13 3HB TYR 13 35.793 3.679 2.060
92 HD1 TYR 13 HD1 TYR 13 33.790 2.490 4.990
93 HD2 TYR 13 HD2 TYR 13 37.605 3.613 3.479
94 HE1 TYR 13 HE1 TYR 13 34.765 2.157 7.223
95 HE2 TYR 13 HE2 TYR 13 38.591 3.283 5.707
96 HH TYR 13 HH TYR 13 37.707 3.329 8.136
Start of MODEL 5
1 H1 LEU 1 H LEU 1 4.175 5.674 -0.611
2 HA LEU 1 HA LEU 1 6.644 4.250 -0.872
3 HB2 LEU 1 2HB LEU 1 6.159 2.850 1.213
4 HB3 LEU 1 3HB LEU 1 6.909 4.430 1.427
5 HG LEU 1 HG LEU 1 4.063 4.697 1.608
6 HD11 LEU 1 1HD1 LEU 1 3.867 2.435 2.263
7 HD12 LEU 1 2HD1 LEU 1 3.833 3.383 3.749
8 HD13 LEU 1 3HD1 LEU 1 5.303 2.528 3.282
9 HD21 LEU 1 1HD2 LEU 1 6.231 5.907 2.637
10 HD22 LEU 1 2HD2 LEU 1 5.763 4.905 4.011
11 HD23 LEU 1 3HD2 LEU 1 4.614 6.055 3.325
12 H GLY 2 H GLY 2 6.342 2.246 -1.744
13 HA2 GLY 2 2HA GLY 2 3.639 1.106 -1.722
14 HA3 GLY 2 3HA GLY 2 4.378 1.461 -3.277
15 H GLN 3 H GLN 3 6.032 0.165 -4.049
16 HA GLN 3 HA GLN 3 6.810 -2.133 -2.403
17 HB2 GLN 3 2HB GLN 3 4.933 -2.325 -4.436
18 HB3 GLN 3 3HB GLN 3 6.427 -2.849 -5.202
19 HG2 GLN 3 2HG GLN 3 5.252 -3.984 -2.674
20 HG3 GLN 3 3HG GLN 3 5.186 -4.724 -4.273
21 HE21 GLN 3 1HE2 GLN 3 7.219 -3.908 -1.569
22 HE22 GLN 3 2HE2 GLN 3 8.543 -4.933 -1.997
23 H GLN 4 H GLN 4 8.145 0.351 -3.303
24 HA GLN 4 HA GLN 4 9.960 -0.171 -5.383
25 HB2 GLN 4 2HB GLN 4 9.415 1.955 -3.657
26 HB3 GLN 4 3HB GLN 4 11.084 1.521 -3.314
27 HG2 GLN 4 2HG GLN 4 11.536 2.908 -5.009
28 HG3 GLN 4 3HG GLN 4 11.124 1.517 -6.010
29 HE21 GLN 4 1HE2 GLN 4 10.855 4.550 -6.243
30 HE22 GLN 4 2HE2 GLN 4 9.228 4.772 -6.777
31 H GLN 5 H GLN 5 12.240 -0.614 -5.255
32 HA GLN 5 HA GLN 5 13.192 -1.901 -2.818
33 HB2 GLN 5 2HB GLN 5 14.000 -3.868 -4.185
34 HB3 GLN 5 3HB GLN 5 12.264 -3.790 -3.916
35 HG2 GLN 5 2HG GLN 5 12.958 -2.413 -6.337
36 HG3 GLN 5 3HG GLN 5 13.608 -4.052 -6.349
37 HE21 GLN 5 1HE2 GLN 5 11.897 -5.649 -5.324
38 HE22 GLN 5 2HE2 GLN 5 10.328 -5.543 -6.041
39 HA PRO 6 HA PRO 6 16.359 0.682 -5.031
40 HB2 PRO 6 2HB PRO 6 17.131 2.054 -2.820
41 HB3 PRO 6 3HB PRO 6 15.779 2.559 -3.841
42 HG2 PRO 6 2HG PRO 6 15.739 1.063 -1.249
43 HG3 PRO 6 3HG PRO 6 14.697 2.392 -1.790
44 HD2 PRO 6 2HD PRO 6 13.911 -0.198 -1.864
45 HD3 PRO 6 3HD PRO 6 13.365 1.000 -3.055
46 H ALA 7 H ALA 7 18.369 -0.074 -5.266
47 HA ALA 7 HA ALA 7 19.589 -1.541 -3.018
48 HB1 ALA 7 1HB ALA 7 20.658 -3.020 -4.664
49 HB2 ALA 7 2HB ALA 7 18.898 -3.112 -4.731
50 HB3 ALA 7 3HB ALA 7 19.780 -2.199 -5.955
51 HA PRO 8 HA PRO 8 22.317 1.999 -4.369
52 HB2 PRO 8 2HB PRO 8 22.702 2.988 -1.870
53 HB3 PRO 8 3HB PRO 8 21.341 3.464 -2.892
54 HG2 PRO 8 2HG PRO 8 21.425 1.474 -0.658
55 HG3 PRO 8 3HG PRO 8 20.193 2.696 -1.022
56 HD2 PRO 8 2HD PRO 8 19.894 0.085 -1.674
57 HD3 PRO 8 3HD PRO 8 19.208 1.398 -2.653
58 HA PRO 9 HA PRO 9 26.114 0.056 -3.301
59 HB2 PRO 9 2HB PRO 9 27.786 2.164 -2.934
60 HB3 PRO 9 3HB PRO 9 27.189 1.677 -4.525
61 HG2 PRO 9 2HG PRO 9 26.219 3.864 -2.726
62 HG3 PRO 9 3HG PRO 9 26.470 3.888 -4.481
63 HD2 PRO 9 2HD PRO 9 24.023 3.581 -3.363
64 HD3 PRO 9 3HD PRO 9 24.468 2.827 -4.907
65 H GLN 10 H GLN 10 25.413 -0.840 -1.275
66 HA GLN 10 HA GLN 10 25.606 0.606 1.166
67 HB2 GLN 10 2HB GLN 10 25.049 -2.170 0.347
68 HB3 GLN 10 3HB GLN 10 25.782 -1.999 1.936
69 HG2 GLN 10 2HG GLN 10 23.661 -0.092 1.607
70 HG3 GLN 10 3HG GLN 10 23.088 -1.722 1.256
71 HE21 GLN 10 1HE2 GLN 10 22.656 0.194 3.529
72 HE22 GLN 10 2HE2 GLN 10 22.998 -0.733 4.946
73 H GLN 11 H GLN 11 27.537 1.455 1.688
74 HA GLN 11 HA GLN 11 29.735 -0.404 2.164
75 HB2 GLN 11 2HB GLN 11 29.954 0.717 -0.138
76 HB3 GLN 11 3HB GLN 11 30.274 2.199 0.752
77 HG2 GLN 11 2HG GLN 11 32.349 1.180 0.102
78 HG3 GLN 11 3HG GLN 11 32.177 1.103 1.855
79 HE21 GLN 11 1HE2 GLN 11 32.366 -0.807 2.822
80 HE22 GLN 11 2HE2 GLN 11 32.442 -2.333 2.016
81 HA PRO 12 HA PRO 12 29.018 2.661 5.579
82 HB2 PRO 12 2HB PRO 12 29.053 0.809 7.564
83 HB3 PRO 12 3HB PRO 12 27.589 1.228 6.667
84 HG2 PRO 12 2HG PRO 12 29.434 -1.101 6.301
85 HG3 PRO 12 3HG PRO 12 27.661 -1.063 6.278
86 HD2 PRO 12 2HD PRO 12 29.146 -1.125 4.014
87 HD3 PRO 12 3HD PRO 12 27.580 -0.295 4.107
88 H TYR 13 H TYR 13 30.775 3.703 6.253
89 HA TYR 13 HA TYR 13 33.287 2.218 6.550
90 HB2 TYR 13 2HB TYR 13 33.239 4.186 5.023
91 HB3 TYR 13 3HB TYR 13 32.860 5.209 6.404
92 HD1 TYR 13 HD1 TYR 13 34.603 6.284 7.471
93 HD2 TYR 13 HD2 TYR 13 35.411 2.695 5.333
94 HE1 TYR 13 HE1 TYR 13 37.004 6.557 7.932
95 HE2 TYR 13 HE2 TYR 13 37.814 2.957 5.789
96 HH TYR 13 HH TYR 13 39.024 5.152 8.068
Start of MODEL 6
1 H1 LEU 1 H LEU 1 7.875 0.014 4.421
2 HA LEU 1 HA LEU 1 7.133 -1.207 2.177
3 HB2 LEU 1 2HB LEU 1 5.180 0.306 2.027
4 HB3 LEU 1 3HB LEU 1 5.493 -0.293 3.655
5 HG LEU 1 HG LEU 1 6.825 2.101 3.651
6 HD11 LEU 1 1HD1 LEU 1 4.281 2.456 2.072
7 HD12 LEU 1 2HD1 LEU 1 5.920 2.702 1.469
8 HD13 LEU 1 3HD1 LEU 1 5.279 3.752 2.733
9 HD21 LEU 1 1HD2 LEU 1 5.257 1.078 5.339
10 HD22 LEU 1 2HD2 LEU 1 3.930 1.776 4.409
11 HD23 LEU 1 3HD2 LEU 1 5.139 2.827 5.148
12 H GLY 2 H GLY 2 6.783 -0.751 -0.010
13 HA2 GLY 2 2HA GLY 2 6.918 0.532 -1.976
14 HA3 GLY 2 3HA GLY 2 7.771 1.778 -1.078
15 H GLN 3 H GLN 3 8.102 -0.539 -3.402
16 HA GLN 3 HA GLN 3 10.935 -1.028 -2.813
17 HB2 GLN 3 2HB GLN 3 9.202 -2.323 -4.923
18 HB3 GLN 3 3HB GLN 3 10.828 -2.807 -4.457
19 HG2 GLN 3 2HG GLN 3 9.605 -2.981 -2.077
20 HG3 GLN 3 3HG GLN 3 8.243 -3.323 -3.143
21 HE21 GLN 3 1HE2 GLN 3 7.970 -5.449 -2.930
22 HE22 GLN 3 2HE2 GLN 3 9.185 -6.643 -3.215
23 H GLN 4 H GLN 4 10.712 1.493 -3.467
24 HA GLN 4 HA GLN 4 10.969 1.837 -6.345
25 HB2 GLN 4 2HB GLN 4 9.958 3.446 -4.362
26 HB3 GLN 4 3HB GLN 4 11.544 4.154 -4.643
27 HG2 GLN 4 2HG GLN 4 10.591 5.282 -6.297
28 HG3 GLN 4 3HG GLN 4 10.583 3.760 -7.186
29 HE21 GLN 4 1HE2 GLN 4 8.710 6.187 -5.718
30 HE22 GLN 4 2HE2 GLN 4 7.155 5.489 -6.001
31 H GLN 5 H GLN 5 12.884 1.100 -7.076
32 HA GLN 5 HA GLN 5 15.131 0.841 -7.349
33 HB2 GLN 5 2HB GLN 5 15.383 3.573 -6.102
34 HB3 GLN 5 3HB GLN 5 16.425 2.834 -7.311
35 HG2 GLN 5 2HG GLN 5 13.957 2.839 -8.527
36 HG3 GLN 5 3HG GLN 5 13.979 4.361 -7.637
37 HE21 GLN 5 1HE2 GLN 5 14.312 5.823 -9.186
38 HE22 GLN 5 2HE2 GLN 5 15.649 5.827 -10.279
39 HA PRO 6 HA PRO 6 15.706 -0.207 -2.843
40 HB2 PRO 6 2HB PRO 6 16.035 -2.871 -3.250
41 HB3 PRO 6 3HB PRO 6 14.450 -2.123 -3.021
42 HG2 PRO 6 2HG PRO 6 15.811 -2.936 -5.560
43 HG3 PRO 6 3HG PRO 6 14.118 -3.153 -5.080
44 HD2 PRO 6 2HD PRO 6 14.918 -1.175 -6.747
45 HD3 PRO 6 3HD PRO 6 13.555 -0.985 -5.625
46 H ALA 7 H ALA 7 17.710 0.964 -3.117
47 HA ALA 7 HA ALA 7 19.988 -0.832 -3.284
48 HB1 ALA 7 1HB ALA 7 19.754 1.596 -5.058
49 HB2 ALA 7 2HB ALA 7 21.218 0.636 -4.835
50 HB3 ALA 7 3HB ALA 7 19.792 -0.089 -5.578
51 HA PRO 8 HA PRO 8 20.204 2.416 0.043
52 HB2 PRO 8 2HB PRO 8 20.773 0.672 2.044
53 HB3 PRO 8 3HB PRO 8 19.121 1.067 1.555
54 HG2 PRO 8 2HG PRO 8 20.794 -1.308 0.832
55 HG3 PRO 8 3HG PRO 8 19.081 -1.243 1.288
56 HD2 PRO 8 2HD PRO 8 19.897 -1.449 -1.286
57 HD3 PRO 8 3HD PRO 8 18.415 -0.589 -0.819
58 HA PRO 9 HA PRO 9 24.590 2.705 0.150
59 HB2 PRO 9 2HB PRO 9 25.070 3.644 2.652
60 HB3 PRO 9 3HB PRO 9 24.347 4.633 1.377
61 HG2 PRO 9 2HG PRO 9 23.017 3.184 3.634
62 HG3 PRO 9 3HG PRO 9 22.704 4.815 3.012
63 HD2 PRO 9 2HD PRO 9 21.150 2.690 2.378
64 HD3 PRO 9 3HD PRO 9 21.431 4.036 1.255
65 H GLN 10 H GLN 10 24.739 0.300 0.043
66 HA GLN 10 HA GLN 10 25.205 -1.139 2.490
67 HB2 GLN 10 2HB GLN 10 25.154 -1.786 -0.407
68 HB3 GLN 10 3HB GLN 10 26.124 -2.831 0.623
69 HG2 GLN 10 2HG GLN 10 23.458 -2.277 1.678
70 HG3 GLN 10 3HG GLN 10 23.460 -3.122 0.131
71 HE21 GLN 10 1HE2 GLN 10 25.084 -3.203 3.283
72 HE22 GLN 10 2HE2 GLN 10 25.122 -4.925 3.412
73 H GLN 11 H GLN 11 27.184 -2.102 3.129
74 HA GLN 11 HA GLN 11 29.398 -2.034 3.651
75 HB2 GLN 11 2HB GLN 11 29.329 -1.803 0.685
76 HB3 GLN 11 3HB GLN 11 30.862 -1.491 1.489
77 HG2 GLN 11 2HG GLN 11 31.170 -3.648 2.037
78 HG3 GLN 11 3HG GLN 11 29.457 -3.929 2.341
79 HE21 GLN 11 1HE2 GLN 11 28.798 -5.520 1.092
80 HE22 GLN 11 2HE2 GLN 11 29.155 -5.711 -0.587
81 HA PRO 12 HA PRO 12 29.265 2.625 3.844
82 HB2 PRO 12 2HB PRO 12 29.233 2.762 6.555
83 HB3 PRO 12 3HB PRO 12 27.763 2.620 5.583
84 HG2 PRO 12 2HG PRO 12 29.274 0.494 7.054
85 HG3 PRO 12 3HG PRO 12 27.523 0.758 6.955
86 HD2 PRO 12 2HD PRO 12 28.802 -1.109 5.468
87 HD3 PRO 12 3HD PRO 12 27.361 -0.249 4.888
88 H TYR 13 H TYR 13 30.726 3.957 5.513
89 HA TYR 13 HA TYR 13 33.400 2.756 5.316
90 HB2 TYR 13 2HB TYR 13 32.732 5.672 5.730
91 HB3 TYR 13 3HB TYR 13 34.287 4.984 5.276
92 HD1 TYR 13 HD1 TYR 13 33.555 3.123 3.137
93 HD2 TYR 13 HD2 TYR 13 32.100 7.036 3.958
94 HE1 TYR 13 HE1 TYR 13 32.989 3.405 0.760
95 HE2 TYR 13 HE2 TYR 13 31.528 7.328 1.584
96 HH TYR 13 HH TYR 13 31.118 5.037 -0.505
Start of MODEL 7
1 H1 LEU 1 H LEU 1 10.995 6.706 -7.678
2 HA LEU 1 HA LEU 1 11.609 6.339 -5.478
3 HB2 LEU 1 2HB LEU 1 9.671 6.238 -4.056
4 HB3 LEU 1 3HB LEU 1 9.335 7.269 -5.445
5 HG LEU 1 HG LEU 1 8.489 4.442 -5.663
6 HD11 LEU 1 1HD1 LEU 1 6.326 5.638 -4.430
7 HD12 LEU 1 2HD1 LEU 1 7.700 6.124 -3.437
8 HD13 LEU 1 3HD1 LEU 1 7.386 4.414 -3.731
9 HD21 LEU 1 1HD2 LEU 1 7.835 5.649 -7.495
10 HD22 LEU 1 2HD2 LEU 1 7.603 7.135 -6.574
11 HD23 LEU 1 3HD2 LEU 1 6.411 5.838 -6.471
12 H GLY 2 H GLY 2 10.789 4.723 -3.484
13 HA2 GLY 2 2HA GLY 2 10.677 1.965 -4.305
14 HA3 GLY 2 3HA GLY 2 12.255 2.438 -3.693
15 H GLN 3 H GLN 3 9.337 1.132 -2.856
16 HA GLN 3 HA GLN 3 9.891 1.568 -0.016
17 HB2 GLN 3 2HB GLN 3 8.084 3.157 -0.851
18 HB3 GLN 3 3HB GLN 3 7.083 1.733 -1.101
19 HG2 GLN 3 2HG GLN 3 6.598 1.557 1.063
20 HG3 GLN 3 3HG GLN 3 8.268 1.837 1.553
21 HE21 GLN 3 1HE2 GLN 3 5.324 3.449 0.487
22 HE22 GLN 3 2HE2 GLN 3 5.630 4.943 1.299
23 H GLN 4 H GLN 4 10.759 -0.647 -0.642
24 HA GLN 4 HA GLN 4 8.974 -2.621 0.368
25 HB2 GLN 4 2HB GLN 4 8.293 -2.386 -2.077
26 HB3 GLN 4 3HB GLN 4 9.862 -3.072 -2.477
27 HG2 GLN 4 2HG GLN 4 9.282 -5.151 -1.815
28 HG3 GLN 4 3HG GLN 4 8.227 -4.568 -0.529
29 HE21 GLN 4 1HE2 GLN 4 6.194 -5.075 -0.841
30 HE22 GLN 4 2HE2 GLN 4 5.385 -5.179 -2.364
31 H GLN 5 H GLN 5 11.369 -1.789 1.315
32 HA GLN 5 HA GLN 5 13.452 -2.454 1.958
33 HB2 GLN 5 2HB GLN 5 12.543 -5.242 1.262
34 HB3 GLN 5 3HB GLN 5 13.692 -4.755 2.502
35 HG2 GLN 5 2HG GLN 5 11.358 -3.425 3.177
36 HG3 GLN 5 3HG GLN 5 10.819 -5.015 2.638
37 HE21 GLN 5 1HE2 GLN 5 12.009 -3.242 5.198
38 HE22 GLN 5 2HE2 GLN 5 12.456 -4.544 6.241
39 HA PRO 6 HA PRO 6 14.853 -2.848 -2.471
40 HB2 PRO 6 2HB PRO 6 16.314 -0.559 -2.473
41 HB3 PRO 6 3HB PRO 6 14.591 -0.599 -2.865
42 HG2 PRO 6 2HG PRO 6 15.932 0.141 -0.293
43 HG3 PRO 6 3HG PRO 6 14.573 0.931 -1.114
44 HD2 PRO 6 2HD PRO 6 14.231 -0.740 0.988
45 HD3 PRO 6 3HD PRO 6 13.041 -0.597 -0.321
46 H ALA 7 H ALA 7 17.248 -2.541 -3.215
47 HA ALA 7 HA ALA 7 19.128 -3.196 -1.067
48 HB1 ALA 7 1HB ALA 7 20.044 -5.065 -2.454
49 HB2 ALA 7 2HB ALA 7 18.433 -5.357 -1.798
50 HB3 ALA 7 3HB ALA 7 18.627 -4.909 -3.493
51 HA PRO 8 HA PRO 8 20.812 -0.186 -4.186
52 HB2 PRO 8 2HB PRO 8 21.743 1.571 -2.338
53 HB3 PRO 8 3HB PRO 8 20.088 1.616 -2.957
54 HG2 PRO 8 2HG PRO 8 21.123 0.454 -0.400
55 HG3 PRO 8 3HG PRO 8 19.664 1.422 -0.679
56 HD2 PRO 8 2HD PRO 8 19.598 -1.273 -0.425
57 HD3 PRO 8 3HD PRO 8 18.464 -0.384 -1.462
58 HA PRO 9 HA PRO 9 25.009 -1.463 -3.893
59 HB2 PRO 9 2HB PRO 9 26.367 0.744 -4.705
60 HB3 PRO 9 3HB PRO 9 25.419 -0.261 -5.808
61 HG2 PRO 9 2HG PRO 9 24.683 2.328 -4.497
62 HG3 PRO 9 3HG PRO 9 24.408 1.802 -6.169
63 HD2 PRO 9 2HD PRO 9 22.468 1.729 -4.281
64 HD3 PRO 9 3HD PRO 9 22.559 0.548 -5.603
65 H GLN 10 H GLN 10 26.249 -1.780 -2.163
66 HA GLN 10 HA GLN 10 26.168 -0.081 0.107
67 HB2 GLN 10 2HB GLN 10 26.740 -2.667 -0.189
68 HB3 GLN 10 3HB GLN 10 28.384 -2.043 -0.216
69 HG2 GLN 10 2HG GLN 10 28.140 -1.091 1.953
70 HG3 GLN 10 3HG GLN 10 26.411 -1.437 1.969
71 HE21 GLN 10 1HE2 GLN 10 26.070 -2.924 3.457
72 HE22 GLN 10 2HE2 GLN 10 26.967 -4.387 3.654
73 H GLN 11 H GLN 11 27.448 1.555 0.716
74 HA GLN 11 HA GLN 11 29.760 2.182 -0.997
75 HB2 GLN 11 2HB GLN 11 27.622 3.836 0.181
76 HB3 GLN 11 3HB GLN 11 29.239 4.518 0.294
77 HG2 GLN 11 2HG GLN 11 29.410 4.850 -1.936
78 HG3 GLN 11 3HG GLN 11 28.431 3.439 -2.334
79 HE21 GLN 11 1HE2 GLN 11 28.426 6.429 -3.027
80 HE22 GLN 11 2HE2 GLN 11 26.768 6.877 -2.843
81 HA PRO 12 HA PRO 12 32.536 1.939 2.388
82 HB2 PRO 12 2HB PRO 12 34.199 4.037 1.938
83 HB3 PRO 12 3HB PRO 12 34.206 2.575 0.945
84 HG2 PRO 12 2HG PRO 12 32.915 5.223 0.410
85 HG3 PRO 12 3HG PRO 12 33.827 4.179 -0.696
86 HD2 PRO 12 2HD PRO 12 31.120 4.266 -0.674
87 HD3 PRO 12 3HD PRO 12 32.025 2.792 -1.073
88 H TYR 13 H TYR 13 32.887 2.686 4.453
89 HA TYR 13 HA TYR 13 31.265 4.989 5.259
90 HB2 TYR 13 2HB TYR 13 32.358 2.609 6.742
91 HB3 TYR 13 3HB TYR 13 31.764 4.026 7.601
92 HD1 TYR 13 HD1 TYR 13 29.490 4.237 8.075
93 HD2 TYR 13 HD2 TYR 13 30.739 1.480 5.085
94 HE1 TYR 13 HE1 TYR 13 27.192 3.373 7.920
95 HE2 TYR 13 HE2 TYR 13 28.444 0.609 4.921
96 HH TYR 13 HH TYR 13 25.811 2.149 6.011
Start of MODEL 8
1 H1 LEU 1 H LEU 1 9.995 6.664 -4.347
2 HA LEU 1 HA LEU 1 10.807 4.593 -3.877
3 HB2 LEU 1 2HB LEU 1 12.885 3.884 -4.948
4 HB3 LEU 1 3HB LEU 1 11.812 4.711 -6.074
5 HG LEU 1 HG LEU 1 13.409 6.757 -5.243
6 HD11 LEU 1 1HD1 LEU 1 15.528 6.133 -4.770
7 HD12 LEU 1 2HD1 LEU 1 15.440 4.676 -5.759
8 HD13 LEU 1 3HD1 LEU 1 14.720 4.693 -4.149
9 HD21 LEU 1 1HD2 LEU 1 13.597 4.868 -7.568
10 HD22 LEU 1 2HD2 LEU 1 14.663 6.265 -7.417
11 HD23 LEU 1 3HD2 LEU 1 12.916 6.494 -7.516
12 H GLY 2 H GLY 2 12.896 3.472 -2.883
13 HA2 GLY 2 2HA GLY 2 14.612 3.519 -1.290
14 HA3 GLY 2 3HA GLY 2 14.354 5.247 -1.097
15 H GLN 3 H GLN 3 12.367 2.313 -0.670
16 HA GLN 3 HA GLN 3 12.100 2.802 2.151
17 HB2 GLN 3 2HB GLN 3 10.451 4.380 1.057
18 HB3 GLN 3 3HB GLN 3 9.592 2.958 0.480
19 HG2 GLN 3 2HG GLN 3 8.527 2.773 2.405
20 HG3 GLN 3 3HG GLN 3 10.055 2.690 3.280
21 HE21 GLN 3 1HE2 GLN 3 8.301 5.214 1.500
22 HE22 GLN 3 2HE2 GLN 3 8.373 6.392 2.763
23 H GLN 4 H GLN 4 12.969 0.689 2.216
24 HA GLN 4 HA GLN 4 12.899 -1.581 2.346
25 HB2 GLN 4 2HB GLN 4 10.981 -1.102 3.796
26 HB3 GLN 4 3HB GLN 4 9.916 -1.088 2.397
27 HG2 GLN 4 2HG GLN 4 11.256 -3.538 2.296
28 HG3 GLN 4 3HG GLN 4 10.816 -3.300 3.986
29 HE21 GLN 4 1HE2 GLN 4 9.616 -3.610 0.727
30 HE22 GLN 4 2HE2 GLN 4 7.980 -3.965 1.152
31 H GLN 5 H GLN 5 13.770 -1.980 0.299
32 HA GLN 5 HA GLN 5 11.812 -2.951 -1.669
33 HB2 GLN 5 2HB GLN 5 13.977 -0.975 -2.020
34 HB3 GLN 5 3HB GLN 5 13.879 -2.212 -3.266
35 HG2 GLN 5 2HG GLN 5 11.342 -1.573 -3.271
36 HG3 GLN 5 3HG GLN 5 11.935 -0.075 -2.557
37 HE21 GLN 5 1HE2 GLN 5 11.602 -1.926 -5.402
38 HE22 GLN 5 2HE2 GLN 5 12.369 -0.822 -6.488
39 HA PRO 6 HA PRO 6 14.120 -6.674 -1.871
40 HB2 PRO 6 2HB PRO 6 13.990 -7.305 -4.508
41 HB3 PRO 6 3HB PRO 6 12.600 -7.423 -3.423
42 HG2 PRO 6 2HG PRO 6 13.312 -5.254 -5.360
43 HG3 PRO 6 3HG PRO 6 11.732 -5.993 -5.039
44 HD2 PRO 6 2HD PRO 6 12.457 -3.597 -4.007
45 HD3 PRO 6 3HD PRO 6 11.380 -4.719 -3.151
46 H ALA 7 H ALA 7 16.252 -6.819 -1.612
47 HA ALA 7 HA ALA 7 18.498 -6.571 -1.910
48 HB1 ALA 7 1HB ALA 7 19.178 -6.639 -4.423
49 HB2 ALA 7 2HB ALA 7 18.438 -8.054 -3.673
50 HB3 ALA 7 3HB ALA 7 17.467 -6.981 -4.682
51 HA PRO 8 HA PRO 8 18.045 -2.002 -2.648
52 HB2 PRO 8 2HB PRO 8 19.088 -1.271 -0.251
53 HB3 PRO 8 3HB PRO 8 17.374 -1.636 -0.482
54 HG2 PRO 8 2HG PRO 8 19.548 -3.372 0.624
55 HG3 PRO 8 3HG PRO 8 17.887 -3.151 1.206
56 HD2 PRO 8 2HD PRO 8 18.640 -5.290 -0.275
57 HD3 PRO 8 3HD PRO 8 17.011 -4.590 -0.367
58 HA PRO 9 HA PRO 9 22.231 -1.264 -3.774
59 HB2 PRO 9 2HB PRO 9 22.553 1.369 -3.198
60 HB3 PRO 9 3HB PRO 9 21.570 0.795 -4.550
61 HG2 PRO 9 2HG PRO 9 20.708 1.690 -1.826
62 HG3 PRO 9 3HG PRO 9 19.988 2.057 -3.404
63 HD2 PRO 9 2HD PRO 9 18.975 0.174 -1.742
64 HD3 PRO 9 3HD PRO 9 18.883 0.037 -3.510
65 H GLN 10 H GLN 10 24.346 -0.273 -2.966
66 HA GLN 10 HA GLN 10 24.621 -0.883 -0.102
67 HB2 GLN 10 2HB GLN 10 27.069 -1.213 -0.709
68 HB3 GLN 10 3HB GLN 10 25.939 -2.410 -1.328
69 HG2 GLN 10 2HG GLN 10 26.402 -1.917 -3.450
70 HG3 GLN 10 3HG GLN 10 26.360 -0.180 -3.151
71 HE21 GLN 10 1HE2 GLN 10 28.334 -3.022 -3.286
72 HE22 GLN 10 2HE2 GLN 10 29.862 -2.219 -3.213
73 H GLN 11 H GLN 11 25.641 0.525 1.263
74 HA GLN 11 HA GLN 11 26.807 2.967 0.168
75 HB2 GLN 11 2HB GLN 11 24.287 3.228 0.711
76 HB3 GLN 11 3HB GLN 11 24.799 3.184 2.393
77 HG2 GLN 11 2HG GLN 11 26.455 5.052 1.639
78 HG3 GLN 11 3HG GLN 11 25.315 5.248 0.308
79 HE21 GLN 11 1HE2 GLN 11 23.386 6.215 0.667
80 HE22 GLN 11 2HE2 GLN 11 22.906 6.881 2.187
81 HA PRO 12 HA PRO 12 29.095 1.128 3.789
82 HB2 PRO 12 2HB PRO 12 31.515 1.096 2.560
83 HB3 PRO 12 3HB PRO 12 30.356 -0.233 2.433
84 HG2 PRO 12 2HG PRO 12 30.912 1.987 0.503
85 HG3 PRO 12 3HG PRO 12 30.654 0.262 0.181
86 HD2 PRO 12 2HD PRO 12 28.712 2.117 -0.170
87 HD3 PRO 12 3HD PRO 12 28.361 0.449 0.329
88 H TYR 13 H TYR 13 31.456 2.017 4.471
89 HA TYR 13 HA TYR 13 31.916 4.783 3.897
90 HB2 TYR 13 2HB TYR 13 29.908 4.719 5.509
91 HB3 TYR 13 3HB TYR 13 31.069 4.210 6.729
92 HD1 TYR 13 HD1 TYR 13 32.998 5.740 7.279
93 HD2 TYR 13 HD2 TYR 13 29.699 6.989 4.900
94 HE1 TYR 13 HE1 TYR 13 33.593 8.090 7.699
95 HE2 TYR 13 HE2 TYR 13 30.285 9.342 5.313
96 HH TYR 13 HH TYR 13 31.626 10.743 6.394
Start of MODEL 9
1 H1 LEU 1 H LEU 1 10.500 8.384 -4.044
2 HA LEU 1 HA LEU 1 10.791 7.646 -1.407
3 HB2 LEU 1 2HB LEU 1 8.776 6.127 -1.168
4 HB3 LEU 1 3HB LEU 1 8.506 7.855 -0.955
5 HG LEU 1 HG LEU 1 8.033 7.116 -3.692
6 HD11 LEU 1 1HD1 LEU 1 7.413 4.956 -3.180
7 HD12 LEU 1 2HD1 LEU 1 5.882 5.816 -3.024
8 HD13 LEU 1 3HD1 LEU 1 6.806 5.393 -1.583
9 HD21 LEU 1 1HD2 LEU 1 5.829 8.105 -3.188
10 HD22 LEU 1 2HD2 LEU 1 7.170 9.123 -2.661
11 HD23 LEU 1 3HD2 LEU 1 6.271 8.167 -1.482
12 H GLY 2 H GLY 2 10.432 5.056 -1.220
13 HA2 GLY 2 2HA GLY 2 10.747 3.559 -3.613
14 HA3 GLY 2 3HA GLY 2 12.315 3.893 -2.892
15 H GLN 3 H GLN 3 9.094 2.657 -2.010
16 HA GLN 3 HA GLN 3 10.368 0.933 -0.009
17 HB2 GLN 3 2HB GLN 3 7.413 1.398 -0.402
18 HB3 GLN 3 3HB GLN 3 8.210 0.687 0.995
19 HG2 GLN 3 2HG GLN 3 9.193 2.800 1.576
20 HG3 GLN 3 3HG GLN 3 8.567 3.538 0.102
21 HE21 GLN 3 1HE2 GLN 3 8.055 3.115 3.342
22 HE22 GLN 3 2HE2 GLN 3 6.378 3.521 3.415
23 H GLN 4 H GLN 4 11.098 -0.130 -2.204
24 HA GLN 4 HA GLN 4 9.502 -2.531 -2.458
25 HB2 GLN 4 2HB GLN 4 9.102 -0.506 -4.312
26 HB3 GLN 4 3HB GLN 4 10.229 -1.590 -5.117
27 HG2 GLN 4 2HG GLN 4 8.460 -3.377 -4.167
28 HG3 GLN 4 3HG GLN 4 7.404 -1.984 -4.397
29 HE21 GLN 4 1HE2 GLN 4 6.361 -2.172 -6.238
30 HE22 GLN 4 2HE2 GLN 4 7.029 -2.700 -7.741
31 H GLN 5 H GLN 5 10.913 -4.123 -2.229
32 HA GLN 5 HA GLN 5 12.841 -5.334 -2.266
33 HB2 GLN 5 2HB GLN 5 12.257 -5.297 -4.696
34 HB3 GLN 5 3HB GLN 5 13.316 -3.907 -4.887
35 HG2 GLN 5 2HG GLN 5 15.000 -5.638 -3.689
36 HG3 GLN 5 3HG GLN 5 13.965 -6.755 -4.576
37 HE21 GLN 5 1HE2 GLN 5 14.430 -7.115 -6.629
38 HE22 GLN 5 2HE2 GLN 5 15.470 -6.151 -7.615
39 HA PRO 6 HA PRO 6 15.308 -1.700 -0.754
40 HB2 PRO 6 2HB PRO 6 15.679 -2.693 1.745
41 HB3 PRO 6 3HB PRO 6 14.260 -1.742 1.290
42 HG2 PRO 6 2HG PRO 6 14.553 -4.712 1.526
43 HG3 PRO 6 3HG PRO 6 13.222 -3.672 2.067
44 HD2 PRO 6 2HD PRO 6 13.106 -5.115 -0.221
45 HD3 PRO 6 3HD PRO 6 12.298 -3.545 -0.041
46 H ALA 7 H ALA 7 17.321 -1.826 -1.518
47 HA ALA 7 HA ALA 7 19.213 -3.653 -0.395
48 HB1 ALA 7 1HB ALA 7 19.870 -4.626 -2.639
49 HB2 ALA 7 2HB ALA 7 18.376 -5.239 -1.928
50 HB3 ALA 7 3HB ALA 7 18.310 -4.056 -3.235
51 HA PRO 8 HA PRO 8 20.770 0.438 -2.022
52 HB2 PRO 8 2HB PRO 8 21.828 1.263 0.338
53 HB3 PRO 8 3HB PRO 8 20.147 1.564 -0.119
54 HG2 PRO 8 2HG PRO 8 21.273 -0.560 1.664
55 HG3 PRO 8 3HG PRO 8 19.825 0.438 1.890
56 HD2 PRO 8 2HD PRO 8 19.709 -2.117 1.001
57 HD3 PRO 8 3HD PRO 8 18.549 -0.875 0.490
58 HA PRO 9 HA PRO 9 24.946 -0.850 -2.508
59 HB2 PRO 9 2HB PRO 9 26.315 1.492 -2.397
60 HB3 PRO 9 3HB PRO 9 25.293 1.040 -3.767
61 HG2 PRO 9 2HG PRO 9 24.679 2.847 -1.460
62 HG3 PRO 9 3HG PRO 9 24.315 3.067 -3.182
63 HD2 PRO 9 2HD PRO 9 22.464 2.216 -1.398
64 HD3 PRO 9 3HD PRO 9 22.465 1.694 -3.095
65 H GLN 10 H GLN 10 25.946 -1.998 -0.974
66 HA GLN 10 HA GLN 10 26.261 -1.016 1.710
67 HB2 GLN 10 2HB GLN 10 26.790 -3.563 0.279
68 HB3 GLN 10 3HB GLN 10 27.739 -3.250 1.726
69 HG2 GLN 10 2HG GLN 10 25.540 -2.812 2.902
70 HG3 GLN 10 3HG GLN 10 24.760 -3.498 1.477
71 HE21 GLN 10 1HE2 GLN 10 27.584 -4.314 3.472
72 HE22 GLN 10 2HE2 GLN 10 27.148 -5.968 3.713
73 H GLN 11 H GLN 11 27.696 0.600 1.952
74 HA GLN 11 HA GLN 11 30.484 0.021 1.587
75 HB2 GLN 11 2HB GLN 11 29.038 1.702 -0.341
76 HB3 GLN 11 3HB GLN 11 30.486 2.449 0.323
77 HG2 GLN 11 2HG GLN 11 31.727 1.286 -1.081
78 HG3 GLN 11 3HG GLN 11 31.145 -0.212 -0.357
79 HE21 GLN 11 1HE2 GLN 11 30.805 2.032 -2.975
80 HE22 GLN 11 2HE2 GLN 11 29.790 1.044 -3.965
81 HA PRO 12 HA PRO 12 30.929 2.778 4.968
82 HB2 PRO 12 2HB PRO 12 33.346 3.917 4.486
83 HB3 PRO 12 3HB PRO 12 33.161 2.235 4.997
84 HG2 PRO 12 2HG PRO 12 33.600 3.343 2.251
85 HG3 PRO 12 3HG PRO 12 34.347 1.930 3.020
86 HD2 PRO 12 2HD PRO 12 32.304 1.718 1.256
87 HD3 PRO 12 3HD PRO 12 32.525 0.582 2.602
88 H TYR 13 H TYR 13 31.322 5.077 5.588
89 HA TYR 13 HA TYR 13 30.584 6.935 3.426
90 HB2 TYR 13 2HB TYR 13 29.294 6.476 6.067
91 HB3 TYR 13 3HB TYR 13 29.401 8.139 5.500
92 HD1 TYR 13 HD1 TYR 13 27.314 5.405 5.606
93 HD2 TYR 13 HD2 TYR 13 28.746 8.316 2.853
94 HE1 TYR 13 HE1 TYR 13 25.325 5.047 4.203
95 HE2 TYR 13 HE2 TYR 13 26.761 7.967 1.443
96 HH TYR 13 HH TYR 13 25.075 5.875 1.125
Start of MODEL 10
1 H1 LEU 1 H LEU 1 11.371 6.386 0.957
2 HA LEU 1 HA LEU 1 11.359 4.416 -0.180
3 HB2 LEU 1 2HB LEU 1 12.876 2.610 0.588
4 HB3 LEU 1 3HB LEU 1 13.663 4.174 0.384
5 HG LEU 1 HG LEU 1 12.727 3.521 3.112
6 HD11 LEU 1 1HD1 LEU 1 13.733 1.395 2.103
7 HD12 LEU 1 2HD1 LEU 1 14.403 1.981 3.625
8 HD13 LEU 1 3HD1 LEU 1 15.264 2.272 2.114
9 HD21 LEU 1 1HD2 LEU 1 13.956 5.361 3.375
10 HD22 LEU 1 2HD2 LEU 1 14.676 5.205 1.773
11 HD23 LEU 1 3HD2 LEU 1 15.368 4.330 3.139
12 H GLY 2 H GLY 2 10.682 2.075 0.016
13 HA2 GLY 2 2HA GLY 2 9.485 1.103 2.387
14 HA3 GLY 2 3HA GLY 2 8.263 1.879 1.390
15 H GLN 3 H GLN 3 8.341 1.153 -0.987
16 HA GLN 3 HA GLN 3 9.173 -1.614 -1.322
17 HB2 GLN 3 2HB GLN 3 6.943 -2.346 -2.045
18 HB3 GLN 3 3HB GLN 3 6.942 -1.832 -0.363
19 HG2 GLN 3 2HG GLN 3 6.148 0.434 -1.273
20 HG3 GLN 3 3HG GLN 3 5.777 -0.455 -2.749
21 HE21 GLN 3 1HE2 GLN 3 4.700 -2.715 -2.050
22 HE22 GLN 3 2HE2 GLN 3 3.305 -2.509 -1.053
23 H GLN 4 H GLN 4 10.287 0.528 -2.558
24 HA GLN 4 HA GLN 4 9.593 0.018 -5.333
25 HB2 GLN 4 2HB GLN 4 8.415 2.162 -4.274
26 HB3 GLN 4 3HB GLN 4 9.973 2.888 -4.642
27 HG2 GLN 4 2HG GLN 4 9.700 2.662 -6.910
28 HG3 GLN 4 3HG GLN 4 8.559 1.329 -6.748
29 HE21 GLN 4 1HE2 GLN 4 6.400 1.764 -6.351
30 HE22 GLN 4 2HE2 GLN 4 5.721 3.340 -6.548
31 H GLN 5 H GLN 5 11.833 -0.546 -3.502
32 HA GLN 5 HA GLN 5 13.956 0.339 -5.262
33 HB2 GLN 5 2HB GLN 5 13.599 2.041 -3.316
34 HB3 GLN 5 3HB GLN 5 14.382 0.812 -2.332
35 HG2 GLN 5 2HG GLN 5 16.247 1.909 -2.909
36 HG3 GLN 5 3HG GLN 5 16.118 0.946 -4.380
37 HE21 GLN 5 1HE2 GLN 5 17.506 3.286 -4.398
38 HE22 GLN 5 2HE2 GLN 5 16.654 4.472 -5.321
39 HA PRO 6 HA PRO 6 14.320 -3.983 -3.565
40 HB2 PRO 6 2HB PRO 6 14.615 -5.171 -5.988
41 HB3 PRO 6 3HB PRO 6 13.036 -4.860 -5.257
42 HG2 PRO 6 2HG PRO 6 14.495 -3.296 -7.352
43 HG3 PRO 6 3HG PRO 6 12.778 -3.732 -7.274
44 HD2 PRO 6 2HD PRO 6 13.690 -1.279 -6.580
45 HD3 PRO 6 3HD PRO 6 12.282 -2.030 -5.802
46 H ALA 7 H ALA 7 16.275 -4.593 -2.900
47 HA ALA 7 HA ALA 7 18.530 -4.857 -2.748
48 HB1 ALA 7 1HB ALA 7 19.621 -5.727 -4.583
49 HB2 ALA 7 2HB ALA 7 17.933 -6.033 -4.994
50 HB3 ALA 7 3HB ALA 7 18.784 -4.668 -5.718
51 HA PRO 8 HA PRO 8 19.115 -0.286 -3.396
52 HB2 PRO 8 2HB PRO 8 19.709 0.249 -0.802
53 HB3 PRO 8 3HB PRO 8 18.054 0.218 -1.422
54 HG2 PRO 8 2HG PRO 8 19.555 -1.895 0.076
55 HG3 PRO 8 3HG PRO 8 17.878 -1.356 0.281
56 HD2 PRO 8 2HD PRO 8 18.529 -3.609 -1.071
57 HD3 PRO 8 3HD PRO 8 17.124 -2.611 -1.499
58 HA PRO 9 HA PRO 9 23.509 -0.373 -3.534
59 HB2 PRO 9 2HB PRO 9 24.184 2.154 -2.805
60 HB3 PRO 9 3HB PRO 9 23.441 1.769 -4.362
61 HG2 PRO 9 2HG PRO 9 22.171 2.833 -1.868
62 HG3 PRO 9 3HG PRO 9 21.908 3.319 -3.553
63 HD2 PRO 9 2HD PRO 9 20.210 1.678 -2.228
64 HD3 PRO 9 3HD PRO 9 20.495 1.548 -3.975
65 H GLN 10 H GLN 10 25.533 0.323 -2.219
66 HA GLN 10 HA GLN 10 25.023 -0.145 0.645
67 HB2 GLN 10 2HB GLN 10 27.249 -1.355 0.641
68 HB3 GLN 10 3HB GLN 10 25.922 -2.180 -0.166
69 HG2 GLN 10 2HG GLN 10 26.964 -2.168 -2.131
70 HG3 GLN 10 3HG GLN 10 27.454 -0.483 -1.960
71 HE21 GLN 10 1HE2 GLN 10 28.527 -3.606 -2.139
72 HE22 GLN 10 2HE2 GLN 10 30.110 -3.396 -1.480
73 H GLN 11 H GLN 11 27.196 0.332 1.898
74 HA GLN 11 HA GLN 11 28.548 2.683 0.821
75 HB2 GLN 11 2HB GLN 11 26.684 2.671 3.138
76 HB3 GLN 11 3HB GLN 11 28.149 3.633 3.286
77 HG2 GLN 11 2HG GLN 11 27.235 4.343 0.810
78 HG3 GLN 11 3HG GLN 11 25.741 4.108 1.715
79 HE21 GLN 11 1HE2 GLN 11 26.990 6.551 0.665
80 HE22 GLN 11 2HE2 GLN 11 27.174 7.602 2.024
81 HA PRO 12 HA PRO 12 32.091 1.118 2.877
82 HB2 PRO 12 2HB PRO 12 33.351 3.382 3.687
83 HB3 PRO 12 3HB PRO 12 33.269 2.882 1.994
84 HG2 PRO 12 2HG PRO 12 31.605 4.895 3.457
85 HG3 PRO 12 3HG PRO 12 32.319 4.999 1.838
86 HD2 PRO 12 2HD PRO 12 29.712 4.394 2.243
87 HD3 PRO 12 3HD PRO 12 30.643 3.741 0.880
88 H TYR 13 H TYR 13 32.613 0.321 4.835
89 HA TYR 13 HA TYR 13 32.106 1.774 7.267
90 HB2 TYR 13 2HB TYR 13 30.095 0.014 6.278
91 HB3 TYR 13 3HB TYR 13 30.814 -0.731 7.701
92 HD1 TYR 13 HD1 TYR 13 28.689 1.928 6.461
93 HD2 TYR 13 HD2 TYR 13 30.766 0.474 9.878
94 HE1 TYR 13 HE1 TYR 13 27.330 3.387 7.901
95 HE2 TYR 13 HE2 TYR 13 29.412 1.928 11.327
96 HH TYR 13 HH TYR 13 27.833 3.482 11.417
Start of MODEL 11
1 H1 LEU 1 H LEU 1 11.651 4.077 4.164
2 HA LEU 1 HA LEU 1 11.337 3.056 2.132
3 HB2 LEU 1 2HB LEU 1 9.312 1.466 2.248
4 HB3 LEU 1 3HB LEU 1 10.643 1.244 3.381
5 HG LEU 1 HG LEU 1 8.375 2.911 4.301
6 HD11 LEU 1 1HD1 LEU 1 7.072 0.923 4.923
7 HD12 LEU 1 2HD1 LEU 1 8.176 -0.080 3.984
8 HD13 LEU 1 3HD1 LEU 1 7.182 1.131 3.175
9 HD21 LEU 1 1HD2 LEU 1 8.870 1.849 6.403
10 HD22 LEU 1 2HD2 LEU 1 10.375 2.410 5.675
11 HD23 LEU 1 3HD2 LEU 1 9.949 0.699 5.613
12 H GLY 2 H GLY 2 10.673 3.698 0.187
13 HA2 GLY 2 2HA GLY 2 7.929 4.515 -0.263
14 HA3 GLY 2 3HA GLY 2 9.110 5.809 -0.408
15 H GLN 3 H GLN 3 8.341 2.564 -1.620
16 HA GLN 3 HA GLN 3 8.633 1.591 -3.655
17 HB2 GLN 3 2HB GLN 3 7.433 3.875 -4.198
18 HB3 GLN 3 3HB GLN 3 8.976 4.265 -4.945
19 HG2 GLN 3 2HG GLN 3 8.740 2.685 -6.589
20 HG3 GLN 3 3HG GLN 3 7.652 1.688 -5.625
21 HE21 GLN 3 1HE2 GLN 3 6.222 1.573 -7.390
22 HE22 GLN 3 2HE2 GLN 3 5.192 2.897 -7.799
23 H GLN 4 H GLN 4 10.865 1.418 -2.309
24 HA GLN 4 HA GLN 4 13.094 2.639 -3.674
25 HB2 GLN 4 2HB GLN 4 14.483 1.484 -2.085
26 HB3 GLN 4 3HB GLN 4 13.109 2.171 -1.228
27 HG2 GLN 4 2HG GLN 4 12.193 -0.319 -1.845
28 HG3 GLN 4 3HG GLN 4 13.910 -0.615 -1.576
29 HE21 GLN 4 1HE2 GLN 4 14.481 -1.017 0.431
30 HE22 GLN 4 2HE2 GLN 4 13.616 -0.551 1.851
31 H GLN 5 H GLN 5 14.501 1.686 -5.083
32 HA GLN 5 HA GLN 5 13.533 -0.481 -6.642
33 HB2 GLN 5 2HB GLN 5 15.947 1.254 -6.652
34 HB3 GLN 5 3HB GLN 5 16.055 -0.280 -7.505
35 HG2 GLN 5 2HG GLN 5 15.046 0.631 -9.242
36 HG3 GLN 5 3HG GLN 5 13.612 0.904 -8.254
37 HE21 GLN 5 1HE2 GLN 5 16.790 2.305 -8.951
38 HE22 GLN 5 2HE2 GLN 5 16.277 3.952 -8.857
39 HA PRO 6 HA PRO 6 15.320 -4.018 -4.764
40 HB2 PRO 6 2HB PRO 6 16.145 -5.469 -6.905
41 HB3 PRO 6 3HB PRO 6 14.440 -5.261 -6.484
42 HG2 PRO 6 2HG PRO 6 16.075 -3.818 -8.536
43 HG3 PRO 6 3HG PRO 6 14.422 -4.449 -8.663
44 HD2 PRO 6 2HD PRO 6 14.952 -1.832 -8.211
45 HD3 PRO 6 3HD PRO 6 13.513 -2.642 -7.559
46 H ALA 7 H ALA 7 17.273 -5.084 -4.234
47 HA ALA 7 HA ALA 7 19.499 -5.190 -3.771
48 HB1 ALA 7 1HB ALA 7 20.077 -5.973 -5.829
49 HB2 ALA 7 2HB ALA 7 19.409 -4.575 -6.673
50 HB3 ALA 7 3HB ALA 7 20.964 -4.449 -5.852
51 HA PRO 8 HA PRO 8 19.549 -0.597 -2.940
52 HB2 PRO 8 2HB PRO 8 19.563 -0.832 -0.236
53 HB3 PRO 8 3HB PRO 8 18.075 -0.786 -1.188
54 HG2 PRO 8 2HG PRO 8 19.523 -3.146 -0.052
55 HG3 PRO 8 3HG PRO 8 17.783 -2.808 -0.079
56 HD2 PRO 8 2HD PRO 8 18.965 -4.500 -1.832
57 HD3 PRO 8 3HD PRO 8 17.551 -3.516 -2.260
58 HA PRO 9 HA PRO 9 23.862 -0.343 -2.125
59 HB2 PRO 9 2HB PRO 9 24.053 1.885 -0.586
60 HB3 PRO 9 3HB PRO 9 23.676 1.939 -2.312
61 HG2 PRO 9 2HG PRO 9 21.828 2.113 0.037
62 HG3 PRO 9 3HG PRO 9 21.830 3.066 -1.458
63 HD2 PRO 9 2HD PRO 9 20.137 0.991 -1.056
64 HD3 PRO 9 3HD PRO 9 20.765 1.414 -2.662
65 H GLN 10 H GLN 10 25.505 -0.662 -0.569
66 HA GLN 10 HA GLN 10 24.519 -1.525 2.070
67 HB2 GLN 10 2HB GLN 10 26.469 -3.090 2.084
68 HB3 GLN 10 3HB GLN 10 25.270 -3.444 0.847
69 HG2 GLN 10 2HG GLN 10 26.801 -3.308 -0.738
70 HG3 GLN 10 3HG GLN 10 27.240 -1.679 -0.227
71 HE21 GLN 10 1HE2 GLN 10 29.311 -1.483 0.173
72 HE22 GLN 10 2HE2 GLN 10 30.342 -2.688 0.858
73 H GLN 11 H GLN 11 25.623 -0.903 3.889
74 HA GLN 11 HA GLN 11 26.862 0.480 5.206
75 HB2 GLN 11 2HB GLN 11 28.755 -0.499 3.135
76 HB3 GLN 11 3HB GLN 11 29.289 0.841 4.140
77 HG2 GLN 11 2HG GLN 11 28.427 -0.731 6.076
78 HG3 GLN 11 3HG GLN 11 28.732 -1.980 4.870
79 HE21 GLN 11 1HE2 GLN 11 30.089 -1.625 7.357
80 HE22 GLN 11 2HE2 GLN 11 31.751 -1.324 6.997
81 HA PRO 12 HA PRO 12 25.888 4.130 2.503
82 HB2 PRO 12 2HB PRO 12 24.180 5.281 4.272
83 HB3 PRO 12 3HB PRO 12 23.667 4.070 3.090
84 HG2 PRO 12 2HG PRO 12 24.310 3.731 5.994
85 HG3 PRO 12 3HG PRO 12 22.974 3.039 5.056
86 HD2 PRO 12 2HD PRO 12 25.201 1.629 5.677
87 HD3 PRO 12 3HD PRO 12 24.293 1.367 4.174
88 H TYR 13 H TYR 13 28.089 4.757 2.906
89 HA TYR 13 HA TYR 13 28.985 5.809 5.366
90 HB2 TYR 13 2HB TYR 13 30.016 5.510 2.674
91 HB3 TYR 13 3HB TYR 13 30.478 7.064 3.359
92 HD1 TYR 13 HD1 TYR 13 30.560 3.406 3.992
93 HD2 TYR 13 HD2 TYR 13 32.216 7.210 4.933
94 HE1 TYR 13 HE1 TYR 13 32.356 2.304 5.261
95 HE2 TYR 13 HE2 TYR 13 34.017 6.119 6.203
96 HH TYR 13 HH TYR 13 34.585 2.741 6.054
Start of MODEL 12
1 H1 LEU 1 H LEU 1 4.377 4.701 2.909
2 HA LEU 1 HA LEU 1 6.619 4.474 1.733
3 HB2 LEU 1 2HB LEU 1 4.788 2.616 2.142
4 HB3 LEU 1 3HB LEU 1 4.662 2.682 0.385
5 HG LEU 1 HG LEU 1 7.104 2.185 0.262
6 HD11 LEU 1 1HD1 LEU 1 8.209 1.293 2.245
7 HD12 LEU 1 2HD1 LEU 1 6.790 1.679 3.218
8 HD13 LEU 1 3HD1 LEU 1 7.733 2.975 2.483
9 HD21 LEU 1 1HD2 LEU 1 5.997 0.266 -0.183
10 HD22 LEU 1 2HD2 LEU 1 5.016 0.362 1.280
11 HD23 LEU 1 3HD2 LEU 1 6.679 -0.221 1.369
12 H GLY 2 H GLY 2 7.508 4.019 -0.443
13 HA2 GLY 2 2HA GLY 2 6.053 5.471 -2.561
14 HA3 GLY 2 3HA GLY 2 7.748 5.803 -2.238
15 H GLN 3 H GLN 3 9.113 4.843 -3.574
16 HA GLN 3 HA GLN 3 8.533 2.131 -4.509
17 HB2 GLN 3 2HB GLN 3 8.879 4.564 -6.204
18 HB3 GLN 3 3HB GLN 3 9.524 3.036 -6.789
19 HG2 GLN 3 2HG GLN 3 7.387 2.033 -6.813
20 HG3 GLN 3 3HG GLN 3 6.677 3.359 -5.893
21 HE21 GLN 3 1HE2 GLN 3 6.350 5.364 -6.927
22 HE22 GLN 3 2HE2 GLN 3 6.238 5.475 -8.647
23 H GLN 4 H GLN 4 10.179 1.407 -3.136
24 HA GLN 4 HA GLN 4 12.862 1.816 -4.205
25 HB2 GLN 4 2HB GLN 4 12.348 3.376 -2.195
26 HB3 GLN 4 3HB GLN 4 12.471 1.911 -1.230
27 HG2 GLN 4 2HG GLN 4 14.694 1.877 -1.354
28 HG3 GLN 4 3HG GLN 4 14.697 2.264 -3.074
29 HE21 GLN 4 1HE2 GLN 4 14.846 4.385 -3.726
30 HE22 GLN 4 2HE2 GLN 4 15.254 5.671 -2.647
31 H GLN 5 H GLN 5 12.936 -0.272 -4.947
32 HA GLN 5 HA GLN 5 12.060 -2.549 -3.584
33 HB2 GLN 5 2HB GLN 5 13.680 -1.966 -5.941
34 HB3 GLN 5 3HB GLN 5 14.186 -3.435 -5.117
35 HG2 GLN 5 2HG GLN 5 12.629 -4.357 -6.454
36 HG3 GLN 5 3HG GLN 5 11.551 -3.858 -5.151
37 HE21 GLN 5 1HE2 GLN 5 11.943 -3.865 -8.396
38 HE22 GLN 5 2HE2 GLN 5 10.943 -2.522 -8.820
39 HA PRO 6 HA PRO 6 15.072 -3.439 -0.523
40 HB2 PRO 6 2HB PRO 6 15.331 -6.135 -0.718
41 HB3 PRO 6 3HB PRO 6 13.892 -5.353 -0.051
42 HG2 PRO 6 2HG PRO 6 14.345 -6.465 -2.793
43 HG3 PRO 6 3HG PRO 6 12.920 -6.612 -1.748
44 HD2 PRO 6 2HD PRO 6 13.048 -4.847 -3.797
45 HD3 PRO 6 3HD PRO 6 12.137 -4.519 -2.309
46 H ALA 7 H ALA 7 16.816 -2.314 -1.616
47 HA ALA 7 HA ALA 7 19.018 -4.081 -2.200
48 HB1 ALA 7 1HB ALA 7 19.510 -3.330 -4.396
49 HB2 ALA 7 2HB ALA 7 17.813 -3.810 -4.391
50 HB3 ALA 7 3HB ALA 7 18.246 -2.102 -4.332
51 HA PRO 8 HA PRO 8 20.054 -0.095 -0.044
52 HB2 PRO 8 2HB PRO 8 21.450 -1.272 1.965
53 HB3 PRO 8 3HB PRO 8 19.700 -1.032 2.024
54 HG2 PRO 8 2HG PRO 8 21.251 -3.493 1.320
55 HG3 PRO 8 3HG PRO 8 19.804 -3.334 2.332
56 HD2 PRO 8 2HD PRO 8 19.699 -4.174 -0.241
57 HD3 PRO 8 3HD PRO 8 18.390 -3.240 0.513
58 HA PRO 9 HA PRO 9 24.156 0.261 -1.587
59 HB2 PRO 9 2HB PRO 9 25.371 1.805 0.286
60 HB3 PRO 9 3HB PRO 9 24.159 2.432 -0.836
61 HG2 PRO 9 2HG PRO 9 23.840 1.584 2.017
62 HG3 PRO 9 3HG PRO 9 23.169 3.002 1.190
63 HD2 PRO 9 2HD PRO 9 21.714 0.769 1.665
64 HD3 PRO 9 3HD PRO 9 21.454 1.792 0.237
65 H GLN 10 H GLN 10 26.512 -0.021 -1.011
66 HA GLN 10 HA GLN 10 26.836 -2.112 1.039
67 HB2 GLN 10 2HB GLN 10 27.408 -2.177 -1.807
68 HB3 GLN 10 3HB GLN 10 28.841 -2.534 -0.851
69 HG2 GLN 10 2HG GLN 10 27.213 -4.146 0.418
70 HG3 GLN 10 3HG GLN 10 26.287 -4.041 -1.078
71 HE21 GLN 10 1HE2 GLN 10 26.780 -5.437 -2.608
72 HE22 GLN 10 2HE2 GLN 10 28.262 -6.314 -2.746
73 H GLN 11 H GLN 11 28.283 -1.662 2.558
74 HA GLN 11 HA GLN 11 29.903 -0.581 3.737
75 HB2 GLN 11 2HB GLN 11 31.074 -0.996 1.033
76 HB3 GLN 11 3HB GLN 11 31.940 0.064 2.138
77 HG2 GLN 11 2HG GLN 11 32.830 -1.696 3.126
78 HG3 GLN 11 3HG GLN 11 31.222 -2.257 3.581
79 HE21 GLN 11 1HE2 GLN 11 31.116 -4.339 3.140
80 HE22 GLN 11 2HE2 GLN 11 31.612 -5.092 1.667
81 HA PRO 12 HA PRO 12 28.365 3.562 2.241
82 HB2 PRO 12 2HB PRO 12 27.101 4.211 4.554
83 HB3 PRO 12 3HB PRO 12 26.322 3.297 3.257
84 HG2 PRO 12 2HG PRO 12 27.565 2.302 5.792
85 HG3 PRO 12 3HG PRO 12 26.045 1.810 5.024
86 HD2 PRO 12 2HD PRO 12 28.324 0.364 4.804
87 HD3 PRO 12 3HD PRO 12 27.109 0.435 3.511
88 H TYR 13 H TYR 13 29.046 5.637 2.957
89 HA TYR 13 HA TYR 13 31.488 5.549 4.527
90 HB2 TYR 13 2HB TYR 13 31.618 6.790 2.479
91 HB3 TYR 13 3HB TYR 13 30.184 7.726 2.887
92 HD1 TYR 13 HD1 TYR 13 30.906 9.935 3.003
93 HD2 TYR 13 HD2 TYR 13 33.168 6.916 4.969
94 HE1 TYR 13 HE1 TYR 13 32.324 11.668 4.020
95 HE2 TYR 13 HE2 TYR 13 34.592 8.640 5.992
96 HH TYR 13 HH TYR 13 33.900 11.586 6.412
Start of MODEL 13
1 H1 LEU 1 H LEU 1 2.708 -2.080 -5.521
2 HA LEU 1 HA LEU 1 4.893 -2.898 -5.637
3 HB2 LEU 1 2HB LEU 1 6.727 -1.366 -6.386
4 HB3 LEU 1 3HB LEU 1 5.505 -1.735 -7.602
5 HG LEU 1 HG LEU 1 4.798 0.680 -6.225
6 HD11 LEU 1 1HD1 LEU 1 6.834 1.901 -7.390
7 HD12 LEU 1 2HD1 LEU 1 7.644 0.381 -7.013
8 HD13 LEU 1 3HD1 LEU 1 6.918 1.337 -5.721
9 HD21 LEU 1 1HD2 LEU 1 5.770 0.553 -9.044
10 HD22 LEU 1 2HD2 LEU 1 4.416 1.452 -8.359
11 HD23 LEU 1 3HD2 LEU 1 4.287 -0.291 -8.597
12 H GLY 2 H GLY 2 5.748 -3.214 -3.695
13 HA2 GLY 2 2HA GLY 2 5.370 -1.448 -1.532
14 HA3 GLY 2 3HA GLY 2 6.438 -2.844 -1.538
15 H GLN 3 H GLN 3 8.335 -2.234 -3.346
16 HA GLN 3 HA GLN 3 10.346 -1.175 -3.491
17 HB2 GLN 3 2HB GLN 3 8.533 0.532 -4.397
18 HB3 GLN 3 3HB GLN 3 9.034 1.457 -2.988
19 HG2 GLN 3 2HG GLN 3 11.433 1.020 -3.900
20 HG3 GLN 3 3HG GLN 3 10.590 0.716 -5.418
21 HE21 GLN 3 1HE2 GLN 3 10.708 2.424 -6.673
22 HE22 GLN 3 2HE2 GLN 3 10.533 4.070 -6.179
23 H GLN 4 H GLN 4 9.456 -2.008 -0.843
24 HA GLN 4 HA GLN 4 9.948 -0.152 1.163
25 HB2 GLN 4 2HB GLN 4 9.097 -2.567 1.353
26 HB3 GLN 4 3HB GLN 4 10.793 -3.034 1.366
27 HG2 GLN 4 2HG GLN 4 11.102 -1.508 3.326
28 HG3 GLN 4 3HG GLN 4 9.350 -1.316 3.364
29 HE21 GLN 4 1HE2 GLN 4 10.967 -2.377 5.443
30 HE22 GLN 4 2HE2 GLN 4 10.485 -4.017 5.693
31 H GLN 5 H GLN 5 11.736 0.658 2.137
32 HA GLN 5 HA GLN 5 13.904 1.281 2.427
33 HB2 GLN 5 2HB GLN 5 13.984 -1.288 2.867
34 HB3 GLN 5 3HB GLN 5 14.811 -1.352 1.316
35 HG2 GLN 5 2HG GLN 5 16.336 0.477 2.355
36 HG3 GLN 5 3HG GLN 5 15.700 -0.126 3.884
37 HE21 GLN 5 1HE2 GLN 5 17.750 -0.754 1.190
38 HE22 GLN 5 2HE2 GLN 5 18.448 -2.218 1.785
39 HA PRO 6 HA PRO 6 14.199 2.132 -2.145
40 HB2 PRO 6 2HB PRO 6 14.002 4.829 -1.905
41 HB3 PRO 6 3HB PRO 6 12.592 3.772 -2.046
42 HG2 PRO 6 2HG PRO 6 13.805 4.996 0.402
43 HG3 PRO 6 3HG PRO 6 12.095 4.845 -0.044
44 HD2 PRO 6 2HD PRO 6 13.294 3.172 1.715
45 HD3 PRO 6 3HD PRO 6 11.979 2.648 0.644
46 H ALA 7 H ALA 7 15.681 3.987 -3.110
47 HA ALA 7 HA ALA 7 17.787 4.806 -3.385
48 HB1 ALA 7 1HB ALA 7 17.088 5.410 -0.714
49 HB2 ALA 7 2HB ALA 7 18.775 4.893 -0.715
50 HB3 ALA 7 3HB ALA 7 18.260 6.226 -1.749
51 HA PRO 8 HA PRO 8 20.581 1.422 -3.383
52 HB2 PRO 8 2HB PRO 8 22.996 2.659 -3.310
53 HB3 PRO 8 3HB PRO 8 21.951 2.676 -4.736
54 HG2 PRO 8 2HG PRO 8 22.323 4.775 -2.634
55 HG3 PRO 8 3HG PRO 8 22.208 4.962 -4.394
56 HD2 PRO 8 2HD PRO 8 20.121 5.444 -2.738
57 HD3 PRO 8 3HD PRO 8 19.908 4.816 -4.385
58 HA PRO 9 HA PRO 9 21.954 0.287 0.636
59 HB2 PRO 9 2HB PRO 9 24.206 -1.138 0.122
60 HB3 PRO 9 3HB PRO 9 22.585 -1.739 -0.245
61 HG2 PRO 9 2HG PRO 9 24.592 -0.469 -2.067
62 HG3 PRO 9 3HG PRO 9 23.556 -1.880 -2.353
63 HD2 PRO 9 2HD PRO 9 22.969 0.579 -3.324
64 HD3 PRO 9 3HD PRO 9 21.715 -0.585 -2.850
65 H GLN 10 H GLN 10 23.848 0.335 2.159
66 HA GLN 10 HA GLN 10 25.433 2.762 1.668
67 HB2 GLN 10 2HB GLN 10 24.089 1.647 4.046
68 HB3 GLN 10 3HB GLN 10 25.685 2.326 4.337
69 HG2 GLN 10 2HG GLN 10 25.029 4.458 3.589
70 HG3 GLN 10 3HG GLN 10 23.542 3.834 2.878
71 HE21 GLN 10 1HE2 GLN 10 25.085 3.496 6.056
72 HE22 GLN 10 2HE2 GLN 10 23.710 4.007 6.968
73 H GLN 11 H GLN 11 27.059 1.616 0.505
74 HA GLN 11 HA GLN 11 28.973 0.301 2.281
75 HB2 GLN 11 2HB GLN 11 27.771 -0.876 -0.198
76 HB3 GLN 11 3HB GLN 11 29.422 -1.285 0.249
77 HG2 GLN 11 2HG GLN 11 27.192 -1.563 2.220
78 HG3 GLN 11 3HG GLN 11 27.502 -2.813 1.016
79 HE21 GLN 11 1HE2 GLN 11 28.191 -4.385 2.381
80 HE22 GLN 11 2HE2 GLN 11 29.637 -4.280 3.319
81 HA PRO 12 HA PRO 12 30.813 3.521 -0.546
82 HB2 PRO 12 2HB PRO 12 32.069 4.897 1.429
83 HB3 PRO 12 3HB PRO 12 30.400 5.221 0.944
84 HG2 PRO 12 2HG PRO 12 31.424 3.619 3.257
85 HG3 PRO 12 3HG PRO 12 30.087 4.783 3.206
86 HD2 PRO 12 2HD PRO 12 29.690 2.106 3.133
87 HD3 PRO 12 3HD PRO 12 28.622 3.253 2.300
88 H TYR 13 H TYR 13 32.058 1.630 -1.237
89 HA TYR 13 HA TYR 13 34.606 1.333 0.207
90 HB2 TYR 13 2HB TYR 13 32.896 -0.565 -1.300
91 HB3 TYR 13 3HB TYR 13 34.635 -0.764 -1.479
92 HD1 TYR 13 HD1 TYR 13 32.201 -0.135 1.296
93 HD2 TYR 13 HD2 TYR 13 35.616 -2.281 -0.057
94 HE1 TYR 13 HE1 TYR 13 32.275 -1.351 3.432
95 HE2 TYR 13 HE2 TYR 13 35.699 -3.504 2.075
96 HH TYR 13 HH TYR 13 34.703 -2.791 4.644
Start of MODEL 14
1 H1 LEU 1 H LEU 1 8.845 3.148 6.096
2 HA LEU 1 HA LEU 1 8.157 1.187 4.377
3 HB2 LEU 1 2HB LEU 1 7.606 3.087 2.727
4 HB3 LEU 1 3HB LEU 1 6.804 3.055 4.296
5 HG LEU 1 HG LEU 1 9.265 4.656 4.216
6 HD11 LEU 1 1HD1 LEU 1 8.529 5.214 2.013
7 HD12 LEU 1 2HD1 LEU 1 8.105 6.550 3.083
8 HD13 LEU 1 3HD1 LEU 1 6.864 5.411 2.560
9 HD21 LEU 1 1HD2 LEU 1 6.595 5.688 5.005
10 HD22 LEU 1 2HD2 LEU 1 8.169 5.916 5.766
11 HD23 LEU 1 3HD2 LEU 1 7.301 4.394 5.974
12 H GLY 2 H GLY 2 8.624 0.652 2.183
13 HA2 GLY 2 2HA GLY 2 10.589 1.691 0.559
14 HA3 GLY 2 3HA GLY 2 11.426 0.573 1.625
15 H GLN 3 H GLN 3 9.916 0.865 -1.300
16 HA GLN 3 HA GLN 3 10.075 -1.931 -1.827
17 HB2 GLN 3 2HB GLN 3 7.678 -2.241 -2.423
18 HB3 GLN 3 3HB GLN 3 7.951 -2.024 -0.700
19 HG2 GLN 3 2HG GLN 3 7.509 0.539 -1.757
20 HG3 GLN 3 3HG GLN 3 6.295 -0.519 -2.476
21 HE21 GLN 3 1HE2 GLN 3 4.918 -1.717 -1.063
22 HE22 GLN 3 2HE2 GLN 3 4.578 -1.131 0.526
23 H GLN 4 H GLN 4 11.321 0.211 -2.992
24 HA GLN 4 HA GLN 4 10.320 0.016 -5.719
25 HB2 GLN 4 2HB GLN 4 9.384 2.116 -4.619
26 HB3 GLN 4 3HB GLN 4 11.037 2.713 -4.582
27 HG2 GLN 4 2HG GLN 4 10.415 1.765 -7.208
28 HG3 GLN 4 3HG GLN 4 9.178 2.900 -6.671
29 HE21 GLN 4 1HE2 GLN 4 11.866 2.751 -8.398
30 HE22 GLN 4 2HE2 GLN 4 12.534 4.318 -8.108
31 H GLN 5 H GLN 5 11.966 -0.600 -6.939
32 HA GLN 5 HA GLN 5 14.064 -0.887 -7.768
33 HB2 GLN 5 2HB GLN 5 13.929 1.606 -7.927
34 HB3 GLN 5 3HB GLN 5 14.710 1.703 -6.354
35 HG2 GLN 5 2HG GLN 5 16.731 1.369 -7.217
36 HG3 GLN 5 3HG GLN 5 16.174 0.036 -8.227
37 HE21 GLN 5 1HE2 GLN 5 16.642 3.480 -8.020
38 HE22 GLN 5 2HE2 GLN 5 16.509 3.802 -9.712
39 HA PRO 6 HA PRO 6 15.417 -2.508 -3.619
40 HB2 PRO 6 2HB PRO 6 15.438 -5.116 -4.373
41 HB3 PRO 6 3HB PRO 6 13.994 -4.307 -3.752
42 HG2 PRO 6 2HG PRO 6 14.773 -4.880 -6.585
43 HG3 PRO 6 3HG PRO 6 13.191 -5.052 -5.804
44 HD2 PRO 6 2HD PRO 6 13.821 -2.934 -7.369
45 HD3 PRO 6 3HD PRO 6 12.718 -2.803 -5.985
46 H ALA 7 H ALA 7 17.433 -1.466 -4.099
47 HA ALA 7 HA ALA 7 19.324 -3.077 -5.674
48 HB1 ALA 7 1HB ALA 7 18.974 -0.207 -5.250
49 HB2 ALA 7 2HB ALA 7 20.645 -0.753 -5.105
50 HB3 ALA 7 3HB ALA 7 19.738 -1.075 -6.583
51 HA PRO 8 HA PRO 8 21.670 -4.266 -2.163
52 HB2 PRO 8 2HB PRO 8 24.222 -4.057 -3.067
53 HB3 PRO 8 3HB PRO 8 23.113 -5.325 -3.604
54 HG2 PRO 8 2HG PRO 8 23.854 -2.759 -4.956
55 HG3 PRO 8 3HG PRO 8 23.670 -4.379 -5.653
56 HD2 PRO 8 2HD PRO 8 21.749 -2.481 -5.851
57 HD3 PRO 8 3HD PRO 8 21.373 -4.213 -5.752
58 HA PRO 9 HA PRO 9 23.102 -0.860 0.222
59 HB2 PRO 9 2HB PRO 9 25.129 -1.946 1.664
60 HB3 PRO 9 3HB PRO 9 23.429 -2.326 1.961
61 HG2 PRO 9 2HG PRO 9 25.479 -3.884 0.435
62 HG3 PRO 9 3HG PRO 9 24.262 -4.464 1.587
63 HD2 PRO 9 2HD PRO 9 23.935 -4.651 -1.094
64 HD3 PRO 9 3HD PRO 9 22.573 -4.417 0.020
65 H GLN 10 H GLN 10 24.487 0.838 0.092
66 HA GLN 10 HA GLN 10 26.816 0.514 -1.672
67 HB2 GLN 10 2HB GLN 10 26.645 2.971 -2.009
68 HB3 GLN 10 3HB GLN 10 25.216 2.094 -2.540
69 HG2 GLN 10 2HG GLN 10 23.920 3.289 -1.208
70 HG3 GLN 10 3HG GLN 10 24.906 2.880 0.195
71 HE21 GLN 10 1HE2 GLN 10 24.474 5.147 -2.436
72 HE22 GLN 10 2HE2 GLN 10 25.359 6.445 -1.718
73 H GLN 11 H GLN 11 26.725 -0.068 1.224
74 HA GLN 11 HA GLN 11 28.011 0.220 3.077
75 HB2 GLN 11 2HB GLN 11 29.831 1.695 1.166
76 HB3 GLN 11 3HB GLN 11 30.283 1.083 2.752
77 HG2 GLN 11 2HG GLN 11 29.424 -0.581 0.395
78 HG3 GLN 11 3HG GLN 11 31.076 -0.372 0.974
79 HE21 GLN 11 1HE2 GLN 11 31.748 -1.447 2.796
80 HE22 GLN 11 2HE2 GLN 11 30.820 -2.696 3.548
81 HA PRO 12 HA PRO 12 26.317 4.517 3.609
82 HB2 PRO 12 2HB PRO 12 24.705 3.879 5.698
83 HB3 PRO 12 3HB PRO 12 24.199 3.723 4.011
84 HG2 PRO 12 2HG PRO 12 25.203 1.620 5.890
85 HG3 PRO 12 3HG PRO 12 23.855 1.542 4.742
86 HD2 PRO 12 2HD PRO 12 26.282 0.463 4.214
87 HD3 PRO 12 3HD PRO 12 25.243 1.144 2.945
88 H TYR 13 H TYR 13 28.362 5.198 4.349
89 HA TYR 13 HA TYR 13 28.546 5.694 7.121
90 HB2 TYR 13 2HB TYR 13 29.223 3.369 7.284
91 HB3 TYR 13 3HB TYR 13 30.433 3.598 6.027
92 HD1 TYR 13 HD1 TYR 13 32.612 3.790 6.741
93 HD2 TYR 13 HD2 TYR 13 29.501 5.149 9.305
94 HE1 TYR 13 HE1 TYR 13 34.283 4.368 8.451
95 HE2 TYR 13 HE2 TYR 13 31.162 5.732 11.022
96 HH TYR 13 HH TYR 13 34.398 4.701 10.873
Start of MODEL 15
1 H1 LEU 1 H LEU 1 3.490 4.834 -0.038
2 HA LEU 1 HA LEU 1 5.826 4.394 -0.081
3 HB2 LEU 1 2HB LEU 1 6.983 3.514 1.796
4 HB3 LEU 1 3HB LEU 1 5.963 4.832 2.368
5 HG LEU 1 HG LEU 1 4.360 2.658 2.784
6 HD11 LEU 1 1HD1 LEU 1 7.101 1.783 3.642
7 HD12 LEU 1 2HD1 LEU 1 6.371 1.246 2.129
8 HD13 LEU 1 3HD1 LEU 1 5.594 0.867 3.666
9 HD21 LEU 1 1HD2 LEU 1 4.523 4.282 4.442
10 HD22 LEU 1 2HD2 LEU 1 6.280 4.155 4.532
11 HD23 LEU 1 3HD2 LEU 1 5.267 2.866 5.184
12 H GLY 2 H GLY 2 6.922 2.393 -0.586
13 HA2 GLY 2 2HA GLY 2 6.890 -0.032 -0.663
14 HA3 GLY 2 3HA GLY 2 5.135 0.045 -0.636
15 H GLN 3 H GLN 3 7.502 1.804 -2.620
16 HA GLN 3 HA GLN 3 6.700 0.337 -4.987
17 HB2 GLN 3 2HB GLN 3 5.158 2.455 -4.435
18 HB3 GLN 3 3HB GLN 3 6.465 3.285 -5.268
19 HG2 GLN 3 2HG GLN 3 6.154 1.722 -7.177
20 HG3 GLN 3 3HG GLN 3 4.741 1.071 -6.348
21 HE21 GLN 3 1HE2 GLN 3 3.750 1.779 -8.416
22 HE22 GLN 3 2HE2 GLN 3 3.163 3.400 -8.512
23 H GLN 4 H GLN 4 9.153 0.726 -3.487
24 HA GLN 4 HA GLN 4 10.801 1.782 -5.670
25 HB2 GLN 4 2HB GLN 4 12.363 2.688 -3.859
26 HB3 GLN 4 3HB GLN 4 10.887 3.591 -4.173
27 HG2 GLN 4 2HG GLN 4 9.936 3.007 -2.173
28 HG3 GLN 4 3HG GLN 4 10.883 1.527 -2.031
29 HE21 GLN 4 1HE2 GLN 4 12.859 1.583 -1.061
30 HE22 GLN 4 2HE2 GLN 4 13.498 2.981 -0.273
31 H GLN 5 H GLN 5 12.811 0.792 -5.925
32 HA GLN 5 HA GLN 5 13.408 -1.471 -4.156
33 HB2 GLN 5 2HB GLN 5 13.079 -1.550 -7.146
34 HB3 GLN 5 3HB GLN 5 14.051 -2.744 -6.296
35 HG2 GLN 5 2HG GLN 5 11.352 -2.313 -5.216
36 HG3 GLN 5 3HG GLN 5 11.427 -3.021 -6.828
37 HE21 GLN 5 1HE2 GLN 5 13.005 -4.865 -7.031
38 HE22 GLN 5 2HE2 GLN 5 13.042 -6.004 -5.733
39 HA PRO 6 HA PRO 6 17.128 1.167 -5.033
40 HB2 PRO 6 2HB PRO 6 17.935 1.300 -2.445
41 HB3 PRO 6 3HB PRO 6 16.772 2.430 -3.147
42 HG2 PRO 6 2HG PRO 6 16.278 0.007 -1.460
43 HG3 PRO 6 3HG PRO 6 15.515 1.606 -1.372
44 HD2 PRO 6 2HD PRO 6 14.323 -0.513 -2.563
45 HD3 PRO 6 3HD PRO 6 14.079 1.156 -3.118
46 H ALA 7 H ALA 7 19.432 0.698 -4.325
47 HA ALA 7 HA ALA 7 19.917 -2.132 -4.647
48 HB1 ALA 7 1HB ALA 7 21.542 0.342 -4.814
49 HB2 ALA 7 2HB ALA 7 22.383 -1.162 -4.436
50 HB3 ALA 7 3HB ALA 7 21.441 -1.028 -5.921
51 HA PRO 8 HA PRO 8 20.830 -3.235 -0.499
52 HB2 PRO 8 2HB PRO 8 22.977 -4.872 -0.788
53 HB3 PRO 8 3HB PRO 8 21.341 -5.338 -1.271
54 HG2 PRO 8 2HG PRO 8 23.594 -4.314 -2.956
55 HG3 PRO 8 3HG PRO 8 22.460 -5.636 -3.288
56 HD2 PRO 8 2HD PRO 8 22.179 -3.169 -4.369
57 HD3 PRO 8 3HD PRO 8 20.790 -4.200 -3.969
58 HA PRO 9 HA PRO 9 23.984 -0.767 1.316
59 HB2 PRO 9 2HB PRO 9 24.805 -2.286 3.411
60 HB3 PRO 9 3HB PRO 9 23.235 -1.473 3.370
61 HG2 PRO 9 2HG PRO 9 23.905 -4.330 2.778
62 HG3 PRO 9 3HG PRO 9 22.546 -3.669 3.706
63 HD2 PRO 9 2HD PRO 9 22.293 -4.497 1.140
64 HD3 PRO 9 3HD PRO 9 21.337 -3.159 1.811
65 H GLN 10 H GLN 10 25.899 -0.383 0.408
66 HA GLN 10 HA GLN 10 27.754 -2.630 0.004
67 HB2 GLN 10 2HB GLN 10 26.875 -0.641 -1.758
68 HB3 GLN 10 3HB GLN 10 28.521 -0.185 -1.340
69 HG2 GLN 10 2HG GLN 10 29.391 -2.233 -2.137
70 HG3 GLN 10 3HG GLN 10 27.782 -2.942 -2.272
71 HE21 GLN 10 1HE2 GLN 10 29.726 -2.811 -4.332
72 HE22 GLN 10 2HE2 GLN 10 29.075 -1.843 -5.606
73 H GLN 11 H GLN 11 27.357 -1.097 2.501
74 HA GLN 11 HA GLN 11 28.603 -0.207 4.183
75 HB2 GLN 11 2HB GLN 11 30.102 -2.152 3.276
76 HB3 GLN 11 3HB GLN 11 31.113 -0.844 2.678
77 HG2 GLN 11 2HG GLN 11 31.389 0.018 4.915
78 HG3 GLN 11 3HG GLN 11 30.287 -1.204 5.549
79 HE21 GLN 11 1HE2 GLN 11 30.960 -3.504 4.929
80 HE22 GLN 11 2HE2 GLN 11 32.634 -3.878 5.139
81 HA PRO 12 HA PRO 12 29.287 3.621 1.615
82 HB2 PRO 12 2HB PRO 12 27.480 5.142 2.955
83 HB3 PRO 12 3HB PRO 12 27.045 4.122 1.579
84 HG2 PRO 12 2HG PRO 12 26.743 3.581 4.507
85 HG3 PRO 12 3HG PRO 12 25.599 3.269 3.188
86 HD2 PRO 12 2HD PRO 12 27.154 1.327 4.258
87 HD3 PRO 12 3HD PRO 12 26.670 1.330 2.550
88 H TYR 13 H TYR 13 31.033 4.727 2.212
89 HA TYR 13 HA TYR 13 32.562 5.865 3.451
90 HB2 TYR 13 2HB TYR 13 30.496 7.209 4.013
91 HB3 TYR 13 3HB TYR 13 30.363 6.254 5.485
92 HD1 TYR 13 HD1 TYR 13 32.179 8.915 3.781
93 HD2 TYR 13 HD2 TYR 13 32.028 6.490 7.274
94 HE1 TYR 13 HE1 TYR 13 33.718 10.463 4.915
95 HE2 TYR 13 HE2 TYR 13 33.565 8.032 8.418
96 HH TYR 13 HH TYR 13 34.355 10.270 8.300
Start of MODEL 16
1 H1 LEU 1 H LEU 1 6.360 6.647 -2.385
2 HA LEU 1 HA LEU 1 7.406 5.499 -0.503
3 HB2 LEU 1 2HB LEU 1 5.201 6.414 0.786
4 HB3 LEU 1 3HB LEU 1 4.801 4.707 0.606
5 HG LEU 1 HG LEU 1 7.215 4.385 1.623
6 HD11 LEU 1 1HD1 LEU 1 7.804 6.734 1.664
7 HD12 LEU 1 2HD1 LEU 1 7.695 6.106 3.308
8 HD13 LEU 1 3HD1 LEU 1 6.390 7.095 2.654
9 HD21 LEU 1 1HD2 LEU 1 4.555 4.439 2.641
10 HD22 LEU 1 2HD2 LEU 1 5.648 5.060 3.878
11 HD23 LEU 1 3HD2 LEU 1 5.926 3.466 3.175
12 H GLY 2 H GLY 2 7.168 3.093 0.013
13 HA2 GLY 2 2HA GLY 2 6.891 0.933 -0.718
14 HA3 GLY 2 3HA GLY 2 5.413 1.473 -1.501
15 H GLN 3 H GLN 3 8.925 1.936 -1.941
16 HA GLN 3 HA GLN 3 8.734 0.886 -4.637
17 HB2 GLN 3 2HB GLN 3 8.420 3.591 -4.331
18 HB3 GLN 3 3HB GLN 3 10.153 3.457 -4.600
19 HG2 GLN 3 2HG GLN 3 9.655 3.488 -6.764
20 HG3 GLN 3 3HG GLN 3 9.129 1.820 -6.538
21 HE21 GLN 3 1HE2 GLN 3 8.077 5.153 -6.716
22 HE22 GLN 3 2HE2 GLN 3 6.427 4.813 -7.098
23 H GLN 4 H GLN 4 10.070 0.194 -2.113
24 HA GLN 4 HA GLN 4 12.884 0.699 -2.612
25 HB2 GLN 4 2HB GLN 4 11.329 0.083 -0.338
26 HB3 GLN 4 3HB GLN 4 12.424 -1.272 -0.571
27 HG2 GLN 4 2HG GLN 4 13.962 1.047 -0.928
28 HG3 GLN 4 3HG GLN 4 12.955 1.328 0.492
29 HE21 GLN 4 1HE2 GLN 4 14.270 1.037 2.161
30 HE22 GLN 4 2HE2 GLN 4 15.243 -0.363 2.439
31 H GLN 5 H GLN 5 14.432 -0.917 -3.018
32 HA GLN 5 HA GLN 5 13.318 -3.364 -4.222
33 HB2 GLN 5 2HB GLN 5 15.427 -1.483 -5.095
34 HB3 GLN 5 3HB GLN 5 15.775 -3.190 -5.340
35 HG2 GLN 5 2HG GLN 5 14.235 -3.411 -6.964
36 HG3 GLN 5 3HG GLN 5 13.106 -2.297 -6.196
37 HE21 GLN 5 1HE2 GLN 5 12.657 -0.788 -7.639
38 HE22 GLN 5 2HE2 GLN 5 13.813 0.102 -8.565
39 HA PRO 6 HA PRO 6 15.665 -5.901 -1.523
40 HB2 PRO 6 2HB PRO 6 16.493 -7.899 -3.164
41 HB3 PRO 6 3HB PRO 6 14.814 -7.718 -2.641
42 HG2 PRO 6 2HG PRO 6 16.094 -6.897 -5.219
43 HG3 PRO 6 3HG PRO 6 14.527 -7.680 -4.949
44 HD2 PRO 6 2HD PRO 6 14.765 -5.025 -5.424
45 HD3 PRO 6 3HD PRO 6 13.491 -5.699 -4.387
46 H ALA 7 H ALA 7 17.700 -6.097 -0.725
47 HA ALA 7 HA ALA 7 19.921 -5.651 -0.468
48 HB1 ALA 7 1HB ALA 7 21.295 -6.313 -2.591
49 HB2 ALA 7 2HB ALA 7 20.452 -7.548 -1.655
50 HB3 ALA 7 3HB ALA 7 19.745 -6.941 -3.152
51 HA PRO 8 HA PRO 8 19.535 -1.543 -2.605
52 HB2 PRO 8 2HB PRO 8 19.848 -0.074 -0.344
53 HB3 PRO 8 3HB PRO 8 18.279 -0.682 -0.885
54 HG2 PRO 8 2HG PRO 8 20.126 -1.791 1.193
55 HG3 PRO 8 3HG PRO 8 18.362 -1.613 1.244
56 HD2 PRO 8 2HD PRO 8 19.573 -3.972 0.696
57 HD3 PRO 8 3HD PRO 8 18.008 -3.516 -0.008
58 HA PRO 9 HA PRO 9 23.839 -0.663 -2.797
59 HB2 PRO 9 2HB PRO 9 23.892 2.046 -2.954
60 HB3 PRO 9 3HB PRO 9 23.342 1.018 -4.282
61 HG2 PRO 9 2HG PRO 9 21.730 2.514 -2.251
62 HG3 PRO 9 3HG PRO 9 21.460 2.353 -3.996
63 HD2 PRO 9 2HD PRO 9 20.098 0.889 -2.170
64 HD3 PRO 9 3HD PRO 9 20.502 0.267 -3.783
65 H GLN 10 H GLN 10 25.488 -0.519 -1.394
66 HA GLN 10 HA GLN 10 24.968 0.756 1.205
67 HB2 GLN 10 2HB GLN 10 26.616 -0.733 2.149
68 HB3 GLN 10 3HB GLN 10 25.448 -1.679 1.237
69 HG2 GLN 10 2HG GLN 10 27.034 -2.521 -0.053
70 HG3 GLN 10 3HG GLN 10 27.650 -0.916 -0.442
71 HE21 GLN 10 1HE2 GLN 10 29.788 -1.239 -0.274
72 HE22 GLN 10 2HE2 GLN 10 30.594 -1.754 1.164
73 H GLN 11 H GLN 11 27.156 1.412 2.298
74 HA GLN 11 HA GLN 11 28.768 2.888 0.324
75 HB2 GLN 11 2HB GLN 11 27.288 3.854 2.671
76 HB3 GLN 11 3HB GLN 11 28.951 4.421 2.584
77 HG2 GLN 11 2HG GLN 11 28.358 5.038 0.145
78 HG3 GLN 11 3HG GLN 11 26.689 4.909 0.697
79 HE21 GLN 11 1HE2 GLN 11 25.809 6.680 1.480
80 HE22 GLN 11 2HE2 GLN 11 26.658 8.052 2.098
81 HA PRO 12 HA PRO 12 32.393 1.277 2.192
82 HB2 PRO 12 2HB PRO 12 34.089 3.396 2.112
83 HB3 PRO 12 3HB PRO 12 33.608 2.496 0.669
84 HG2 PRO 12 2HG PRO 12 32.558 5.096 1.716
85 HG3 PRO 12 3HG PRO 12 32.949 4.638 0.048
86 HD2 PRO 12 2HD PRO 12 30.413 4.660 0.997
87 HD3 PRO 12 3HD PRO 12 30.959 3.511 -0.241
88 H TYR 13 H TYR 13 31.586 0.937 4.320
89 HA TYR 13 HA TYR 13 32.294 3.044 6.252
90 HB2 TYR 13 2HB TYR 13 30.007 1.216 6.048
91 HB3 TYR 13 3HB TYR 13 30.725 1.280 7.654
92 HD1 TYR 13 HD1 TYR 13 28.384 2.769 5.499
93 HD2 TYR 13 HD2 TYR 13 31.183 3.719 8.559
94 HE1 TYR 13 HE1 TYR 13 27.173 4.861 5.949
95 HE2 TYR 13 HE2 TYR 13 29.979 5.813 9.019
96 HH TYR 13 HH TYR 13 27.409 6.945 6.959
Start of MODEL 17
1 H1 LEU 1 H LEU 1 2.024 1.344 -0.139
2 HA LEU 1 HA LEU 1 4.117 1.957 -0.916
3 HB2 LEU 1 2HB LEU 1 5.454 2.938 0.978
4 HB3 LEU 1 3HB LEU 1 3.797 3.517 0.816
5 HG LEU 1 HG LEU 1 3.777 1.334 2.630
6 HD11 LEU 1 1HD1 LEU 1 6.015 1.512 3.207
7 HD12 LEU 1 2HD1 LEU 1 5.219 2.541 4.398
8 HD13 LEU 1 3HD1 LEU 1 6.032 3.265 3.010
9 HD21 LEU 1 1HD2 LEU 1 3.248 3.357 4.202
10 HD22 LEU 1 2HD2 LEU 1 2.125 2.904 2.919
11 HD23 LEU 1 3HD2 LEU 1 3.225 4.264 2.690
12 H GLY 2 H GLY 2 6.626 1.836 -0.181
13 HA2 GLY 2 2HA GLY 2 8.415 0.452 0.487
14 HA3 GLY 2 3HA GLY 2 7.279 -0.872 0.704
15 H GLN 3 H GLN 3 7.895 1.238 -2.091
16 HA GLN 3 HA GLN 3 8.247 -1.178 -3.719
17 HB2 GLN 3 2HB GLN 3 7.699 1.665 -4.588
18 HB3 GLN 3 3HB GLN 3 7.781 0.263 -5.646
19 HG2 GLN 3 2HG GLN 3 5.837 -0.700 -4.555
20 HG3 GLN 3 3HG GLN 3 5.768 0.669 -3.446
21 HE21 GLN 3 1HE2 GLN 3 5.860 -0.005 -6.928
22 HE22 GLN 3 2HE2 GLN 3 4.708 1.205 -7.367
23 H GLN 4 H GLN 4 10.348 -0.120 -2.008
24 HA GLN 4 HA GLN 4 12.247 1.402 -3.357
25 HB2 GLN 4 2HB GLN 4 12.108 0.232 -0.901
26 HB3 GLN 4 3HB GLN 4 13.325 -0.769 -1.682
27 HG2 GLN 4 2HG GLN 4 13.675 2.131 -2.009
28 HG3 GLN 4 3HG GLN 4 13.855 1.519 -0.366
29 HE21 GLN 4 1HE2 GLN 4 15.384 2.046 -3.280
30 HE22 GLN 4 2HE2 GLN 4 16.791 1.077 -3.023
31 H GLN 5 H GLN 5 14.438 0.533 -4.067
32 HA GLN 5 HA GLN 5 13.972 -1.684 -5.939
33 HB2 GLN 5 2HB GLN 5 15.615 0.797 -6.045
34 HB3 GLN 5 3HB GLN 5 16.217 -0.619 -6.898
35 HG2 GLN 5 2HG GLN 5 15.018 0.384 -8.553
36 HG3 GLN 5 3HG GLN 5 13.790 -0.683 -7.874
37 HE21 GLN 5 1HE2 GLN 5 12.081 0.184 -6.740
38 HE22 GLN 5 2HE2 GLN 5 11.723 1.874 -6.734
39 HA PRO 6 HA PRO 6 16.958 -4.283 -4.052
40 HB2 PRO 6 2HB PRO 6 18.207 -5.394 -6.191
41 HB3 PRO 6 3HB PRO 6 16.553 -5.806 -5.724
42 HG2 PRO 6 2HG PRO 6 17.510 -3.925 -7.848
43 HG3 PRO 6 3HG PRO 6 16.196 -5.114 -7.916
44 HD2 PRO 6 2HD PRO 6 15.751 -2.472 -7.525
45 HD3 PRO 6 3HD PRO 6 14.717 -3.730 -6.817
46 H ALA 7 H ALA 7 19.149 -4.504 -3.505
47 HA ALA 7 HA ALA 7 21.227 -3.695 -3.028
48 HB1 ALA 7 1HB ALA 7 22.405 -2.835 -5.249
49 HB2 ALA 7 2HB ALA 7 22.121 -4.548 -4.935
50 HB3 ALA 7 3HB ALA 7 21.024 -3.651 -5.985
51 HA PRO 8 HA PRO 8 19.664 0.704 -2.971
52 HB2 PRO 8 2HB PRO 8 19.663 0.935 -0.266
53 HB3 PRO 8 3HB PRO 8 18.284 0.308 -1.177
54 HG2 PRO 8 2HG PRO 8 20.415 -1.187 0.300
55 HG3 PRO 8 3HG PRO 8 18.667 -1.480 0.260
56 HD2 PRO 8 2HD PRO 8 20.419 -2.923 -1.216
57 HD3 PRO 8 3HD PRO 8 18.769 -2.571 -1.768
58 HA PRO 9 HA PRO 9 23.595 2.560 -2.313
59 HB2 PRO 9 2HB PRO 9 22.954 4.937 -1.171
60 HB3 PRO 9 3HB PRO 9 22.642 4.574 -2.872
61 HG2 PRO 9 2HG PRO 9 20.766 4.482 -0.541
62 HG3 PRO 9 3HG PRO 9 20.492 5.119 -2.173
63 HD2 PRO 9 2HD PRO 9 19.604 2.683 -1.391
64 HD3 PRO 9 3HD PRO 9 20.103 3.027 -3.060
65 H GLN 10 H GLN 10 24.444 1.094 -0.759
66 HA GLN 10 HA GLN 10 23.951 1.471 2.044
67 HB2 GLN 10 2HB GLN 10 25.094 -0.537 0.420
68 HB3 GLN 10 3HB GLN 10 26.353 -0.019 1.534
69 HG2 GLN 10 2HG GLN 10 24.820 -0.414 3.415
70 HG3 GLN 10 3HG GLN 10 23.606 -0.997 2.277
71 HE21 GLN 10 1HE2 GLN 10 25.118 -2.491 0.567
72 HE22 GLN 10 2HE2 GLN 10 25.791 -3.843 1.406
73 H GLN 11 H GLN 11 25.733 1.869 3.597
74 HA GLN 11 HA GLN 11 27.056 4.311 2.959
75 HB2 GLN 11 2HB GLN 11 26.651 2.640 5.336
76 HB3 GLN 11 3HB GLN 11 28.199 3.474 5.310
77 HG2 GLN 11 2HG GLN 11 27.015 5.109 6.289
78 HG3 GLN 11 3HG GLN 11 26.590 5.502 4.624
79 HE21 GLN 11 1HE2 GLN 11 24.947 6.361 6.545
80 HE22 GLN 11 2HE2 GLN 11 23.481 5.449 6.565
81 HA PRO 12 HA PRO 12 31.011 2.988 1.603
82 HB2 PRO 12 2HB PRO 12 32.674 4.741 2.840
83 HB3 PRO 12 3HB PRO 12 31.614 5.203 1.503
84 HG2 PRO 12 2HG PRO 12 31.223 5.577 4.447
85 HG3 PRO 12 3HG PRO 12 30.906 6.713 3.123
86 HD2 PRO 12 2HD PRO 12 28.943 5.271 4.307
87 HD3 PRO 12 3HD PRO 12 28.891 5.727 2.592
88 H TYR 13 H TYR 13 32.752 1.704 2.144
89 HA TYR 13 HA TYR 13 33.954 0.198 3.351
90 HB2 TYR 13 2HB TYR 13 34.648 2.424 4.428
91 HB3 TYR 13 3HB TYR 13 33.573 1.981 5.749
92 HD1 TYR 13 HD1 TYR 13 34.092 0.053 7.181
93 HD2 TYR 13 HD2 TYR 13 36.758 1.313 4.113
94 HE1 TYR 13 HE1 TYR 13 35.887 -1.285 8.200
95 HE2 TYR 13 HE2 TYR 13 38.560 -0.021 5.123
96 HH TYR 13 HH TYR 13 38.807 -1.961 6.603
Start of MODEL 18
1 H1 LEU 1 H LEU 1 3.501 5.353 0.914
2 HA LEU 1 HA LEU 1 5.182 5.011 -0.797
3 HB2 LEU 1 2HB LEU 1 7.220 5.781 0.364
4 HB3 LEU 1 3HB LEU 1 5.785 6.722 0.765
5 HG LEU 1 HG LEU 1 5.699 5.100 2.836
6 HD11 LEU 1 1HD1 LEU 1 8.383 4.678 1.691
7 HD12 LEU 1 2HD1 LEU 1 7.402 3.627 2.711
8 HD13 LEU 1 3HD1 LEU 1 8.313 4.953 3.432
9 HD21 LEU 1 1HD2 LEU 1 6.487 6.839 4.086
10 HD22 LEU 1 2HD2 LEU 1 6.236 7.670 2.550
11 HD23 LEU 1 3HD2 LEU 1 7.854 7.140 3.012
12 H GLY 2 H GLY 2 7.015 3.853 -1.535
13 HA2 GLY 2 2HA GLY 2 8.067 1.651 -0.007
14 HA3 GLY 2 3HA GLY 2 6.994 1.140 -1.301
15 H GLN 3 H GLN 3 7.923 0.713 -3.185
16 HA GLN 3 HA GLN 3 9.511 0.522 -4.806
17 HB2 GLN 3 2HB GLN 3 8.751 2.951 -5.004
18 HB3 GLN 3 3HB GLN 3 10.234 3.375 -4.159
19 HG2 GLN 3 2HG GLN 3 11.584 2.599 -5.914
20 HG3 GLN 3 3HG GLN 3 10.245 1.736 -6.669
21 HE21 GLN 3 1HE2 GLN 3 12.117 3.877 -7.614
22 HE22 GLN 3 2HE2 GLN 3 11.085 5.106 -8.254
23 H GLN 4 H GLN 4 10.509 -0.810 -2.904
24 HA GLN 4 HA GLN 4 13.314 -0.011 -2.757
25 HB2 GLN 4 2HB GLN 4 11.563 0.188 -0.552
26 HB3 GLN 4 3HB GLN 4 12.574 -1.221 -0.257
27 HG2 GLN 4 2HG GLN 4 14.571 0.113 -0.507
28 HG3 GLN 4 3HG GLN 4 13.604 1.528 -0.920
29 HE21 GLN 4 1HE2 GLN 4 11.727 1.760 0.842
30 HE22 GLN 4 2HE2 GLN 4 12.324 1.826 2.462
31 H GLN 5 H GLN 5 14.170 -1.630 -3.916
32 HA GLN 5 HA GLN 5 13.190 -4.346 -3.621
33 HB2 GLN 5 2HB GLN 5 14.984 -2.916 -5.510
34 HB3 GLN 5 3HB GLN 5 15.259 -4.639 -5.292
35 HG2 GLN 5 2HG GLN 5 13.802 -4.209 -7.185
36 HG3 GLN 5 3HG GLN 5 12.959 -5.104 -5.922
37 HE21 GLN 5 1HE2 GLN 5 13.560 -1.759 -6.941
38 HE22 GLN 5 2HE2 GLN 5 11.960 -1.192 -6.619
39 HA PRO 6 HA PRO 6 16.250 -5.865 -0.872
40 HB2 PRO 6 2HB PRO 6 16.816 -8.307 -1.913
41 HB3 PRO 6 3HB PRO 6 15.291 -7.940 -1.099
42 HG2 PRO 6 2HG PRO 6 15.898 -8.045 -4.029
43 HG3 PRO 6 3HG PRO 6 14.488 -8.672 -3.155
44 HD2 PRO 6 2HD PRO 6 14.435 -6.332 -4.517
45 HD3 PRO 6 3HD PRO 6 13.476 -6.604 -3.048
46 H ALA 7 H ALA 7 18.492 -6.586 -0.663
47 HA ALA 7 HA ALA 7 20.713 -6.280 -1.068
48 HB1 ALA 7 1HB ALA 7 19.966 -7.013 -3.895
49 HB2 ALA 7 2HB ALA 7 21.558 -7.154 -3.148
50 HB3 ALA 7 3HB ALA 7 20.229 -8.170 -2.590
51 HA PRO 8 HA PRO 8 19.912 -2.039 -2.854
52 HB2 PRO 8 2HB PRO 8 20.745 -0.678 -0.658
53 HB3 PRO 8 3HB PRO 8 19.080 -1.233 -0.870
54 HG2 PRO 8 2HG PRO 8 21.300 -2.467 0.714
55 HG3 PRO 8 3HG PRO 8 19.595 -2.260 1.152
56 HD2 PRO 8 2HD PRO 8 20.595 -4.613 0.261
57 HD3 PRO 8 3HD PRO 8 18.928 -4.098 -0.068
58 HA PRO 9 HA PRO 9 24.096 -1.228 -3.937
59 HB2 PRO 9 2HB PRO 9 24.187 1.484 -3.995
60 HB3 PRO 9 3HB PRO 9 23.336 0.526 -5.212
61 HG2 PRO 9 2HG PRO 9 22.240 1.958 -2.823
62 HG3 PRO 9 3HG PRO 9 21.596 1.880 -4.474
63 HD2 PRO 9 2HD PRO 9 20.621 0.361 -2.456
64 HD3 PRO 9 3HD PRO 9 20.652 -0.196 -4.141
65 H GLN 10 H GLN 10 26.058 0.180 -3.304
66 HA GLN 10 HA GLN 10 26.653 -0.323 -0.585
67 HB2 GLN 10 2HB GLN 10 28.051 0.781 -2.922
68 HB3 GLN 10 3HB GLN 10 28.599 1.428 -1.381
69 HG2 GLN 10 2HG GLN 10 29.989 -0.394 -1.771
70 HG3 GLN 10 3HG GLN 10 28.794 -0.996 -0.625
71 HE21 GLN 10 1HE2 GLN 10 27.087 -2.328 -1.426
72 HE22 GLN 10 2HE2 GLN 10 27.313 -3.264 -2.860
73 H GLN 11 H GLN 11 27.675 1.479 0.802
74 HA GLN 11 HA GLN 11 26.102 3.951 0.624
75 HB2 GLN 11 2HB GLN 11 26.138 1.961 2.826
76 HB3 GLN 11 3HB GLN 11 26.162 3.657 3.291
77 HG2 GLN 11 2HG GLN 11 24.055 4.047 2.522
78 HG3 GLN 11 3HG GLN 11 24.156 2.795 1.284
79 HE21 GLN 11 1HE2 GLN 11 23.774 3.366 4.729
80 HE22 GLN 11 2HE2 GLN 11 22.940 1.892 5.071
81 HA PRO 12 HA PRO 12 29.801 6.090 1.609
82 HB2 PRO 12 2HB PRO 12 28.913 8.101 3.202
83 HB3 PRO 12 3HB PRO 12 28.601 8.044 1.463
84 HG2 PRO 12 2HG PRO 12 26.812 7.269 3.734
85 HG3 PRO 12 3HG PRO 12 26.421 8.175 2.261
86 HD2 PRO 12 2HD PRO 12 25.849 5.544 2.548
87 HD3 PRO 12 3HD PRO 12 26.260 6.266 0.979
88 H TYR 13 H TYR 13 30.877 7.252 3.651
89 HA TYR 13 HA TYR 13 30.462 5.722 6.094
90 HB2 TYR 13 2HB TYR 13 32.212 4.633 4.447
91 HB3 TYR 13 3HB TYR 13 33.273 5.884 5.084
92 HD1 TYR 13 HD1 TYR 13 31.432 2.816 5.863
93 HD2 TYR 13 HD2 TYR 13 34.003 5.838 7.401
94 HE1 TYR 13 HE1 TYR 13 31.900 1.410 7.826
95 HE2 TYR 13 HE2 TYR 13 34.479 4.439 9.368
96 HH TYR 13 HH TYR 13 34.206 2.439 10.315
Start of MODEL 19
1 H1 LEU 1 H LEU 1 0.640 -3.714 -5.977
2 HA LEU 1 HA LEU 1 2.082 -1.932 -5.834
3 HB2 LEU 1 2HB LEU 1 1.976 -0.851 -3.552
4 HB3 LEU 1 3HB LEU 1 0.437 -1.146 -4.359
5 HG LEU 1 HG LEU 1 1.257 -3.298 -2.552
6 HD11 LEU 1 1HD1 LEU 1 0.703 -2.048 -0.510
7 HD12 LEU 1 2HD1 LEU 1 0.672 -0.555 -1.448
8 HD13 LEU 1 3HD1 LEU 1 2.177 -1.458 -1.277
9 HD21 LEU 1 1HD2 LEU 1 -1.178 -1.787 -3.319
10 HD22 LEU 1 2HD2 LEU 1 -1.162 -2.567 -1.737
11 HD23 LEU 1 3HD2 LEU 1 -0.914 -3.526 -3.197
12 H GLY 2 H GLY 2 4.094 -1.065 -5.008
13 HA2 GLY 2 2HA GLY 2 5.677 -2.807 -3.290
14 HA3 GLY 2 3HA GLY 2 6.233 -2.644 -4.948
15 H GLN 3 H GLN 3 6.944 -0.583 -5.690
16 HA GLN 3 HA GLN 3 8.179 1.317 -5.493
17 HB2 GLN 3 2HB GLN 3 6.349 1.835 -3.143
18 HB3 GLN 3 3HB GLN 3 7.333 3.037 -3.967
19 HG2 GLN 3 2HG GLN 3 6.037 2.870 -5.944
20 HG3 GLN 3 3HG GLN 3 5.192 1.443 -5.345
21 HE21 GLN 3 1HE2 GLN 3 3.147 2.040 -5.131
22 HE22 GLN 3 2HE2 GLN 3 2.588 3.430 -4.270
23 H GLN 4 H GLN 4 10.113 0.255 -4.954
24 HA GLN 4 HA GLN 4 10.788 -0.331 -2.232
25 HB2 GLN 4 2HB GLN 4 12.900 -1.041 -3.067
26 HB3 GLN 4 3HB GLN 4 11.698 -1.537 -4.252
27 HG2 GLN 4 2HG GLN 4 12.306 0.743 -5.377
28 HG3 GLN 4 3HG GLN 4 13.788 0.573 -4.438
29 HE21 GLN 4 1HE2 GLN 4 15.371 -0.589 -5.282
30 HE22 GLN 4 2HE2 GLN 4 15.225 -1.677 -6.616
31 H GLN 5 H GLN 5 11.893 0.870 -0.788
32 HA GLN 5 HA GLN 5 12.180 3.678 -1.298
33 HB2 GLN 5 2HB GLN 5 12.291 1.894 1.028
34 HB3 GLN 5 3HB GLN 5 13.416 3.243 1.114
35 HG2 GLN 5 2HG GLN 5 11.753 4.808 1.207
36 HG3 GLN 5 3HG GLN 5 10.595 3.788 0.356
37 HE21 GLN 5 1HE2 GLN 5 8.953 3.899 1.800
38 HE22 GLN 5 2HE2 GLN 5 9.035 3.271 3.407
39 HA PRO 6 HA PRO 6 16.414 3.964 -2.404
40 HB2 PRO 6 2HB PRO 6 17.232 6.163 -1.040
41 HB3 PRO 6 3HB PRO 6 16.155 6.247 -2.438
42 HG2 PRO 6 2HG PRO 6 15.484 6.345 0.477
43 HG3 PRO 6 3HG PRO 6 14.844 7.329 -0.852
44 HD2 PRO 6 2HD PRO 6 13.494 5.222 0.183
45 HD3 PRO 6 3HD PRO 6 13.375 5.686 -1.527
46 H ALA 7 H ALA 7 17.162 2.027 -1.400
47 HA ALA 7 HA ALA 7 18.920 2.548 0.875
48 HB1 ALA 7 1HB ALA 7 18.203 0.329 1.874
49 HB2 ALA 7 2HB ALA 7 17.067 1.669 2.032
50 HB3 ALA 7 3HB ALA 7 16.797 0.422 0.814
51 HA PRO 8 HA PRO 8 20.888 0.101 -2.552
52 HB2 PRO 8 2HB PRO 8 23.138 1.617 -2.660
53 HB3 PRO 8 3HB PRO 8 21.672 2.007 -3.568
54 HG2 PRO 8 2HG PRO 8 22.654 3.141 -0.977
55 HG3 PRO 8 3HG PRO 8 21.943 3.980 -2.368
56 HD2 PRO 8 2HD PRO 8 20.522 3.394 -0.139
57 HD3 PRO 8 3HD PRO 8 19.789 3.437 -1.755
58 HA PRO 9 HA PRO 9 23.582 -2.260 -0.002
59 HB2 PRO 9 2HB PRO 9 25.581 -2.943 -1.708
60 HB3 PRO 9 3HB PRO 9 23.955 -3.629 -1.809
61 HG2 PRO 9 2HG PRO 9 25.177 -1.410 -3.404
62 HG3 PRO 9 3HG PRO 9 24.160 -2.754 -3.954
63 HD2 PRO 9 2HD PRO 9 23.187 -0.259 -3.557
64 HD3 PRO 9 3HD PRO 9 22.212 -1.718 -3.288
65 H GLN 10 H GLN 10 25.220 -1.965 1.419
66 HA GLN 10 HA GLN 10 26.794 0.472 1.160
67 HB2 GLN 10 2HB GLN 10 25.570 -0.809 3.311
68 HB3 GLN 10 3HB GLN 10 27.289 -1.086 3.560
69 HG2 GLN 10 2HG GLN 10 27.115 1.595 2.871
70 HG3 GLN 10 3HG GLN 10 25.731 1.315 3.926
71 HE21 GLN 10 1HE2 GLN 10 26.253 2.030 5.865
72 HE22 GLN 10 2HE2 GLN 10 27.719 1.688 6.712
73 H GLN 11 H GLN 11 29.108 0.392 1.865
74 HA GLN 11 HA GLN 11 30.446 -2.134 1.259
75 HB2 GLN 11 2HB GLN 11 30.608 0.361 -0.348
76 HB3 GLN 11 3HB GLN 11 32.103 -0.527 -0.089
77 HG2 GLN 11 2HG GLN 11 31.519 -2.165 -1.490
78 HG3 GLN 11 3HG GLN 11 29.853 -2.198 -0.915
79 HE21 GLN 11 1HE2 GLN 11 28.381 -1.589 -2.318
80 HE22 GLN 11 2HE2 GLN 11 28.632 -0.552 -3.678
81 HA PRO 12 HA PRO 12 33.248 -1.007 4.438
82 HB2 PRO 12 2HB PRO 12 35.612 -1.962 3.505
83 HB3 PRO 12 3HB PRO 12 34.313 -3.012 4.083
84 HG2 PRO 12 2HG PRO 12 35.046 -2.275 1.276
85 HG3 PRO 12 3HG PRO 12 34.592 -3.858 1.935
86 HD2 PRO 12 2HD PRO 12 32.853 -2.296 0.568
87 HD3 PRO 12 3HD PRO 12 32.339 -3.375 1.881
88 H TYR 13 H TYR 13 35.621 -0.073 4.696
89 HA TYR 13 HA TYR 13 35.637 2.427 3.178
90 HB2 TYR 13 2HB TYR 13 36.617 1.579 5.854
91 HB3 TYR 13 3HB TYR 13 37.520 2.848 5.035
92 HD1 TYR 13 HD1 TYR 13 35.182 2.418 7.444
93 HD2 TYR 13 HD2 TYR 13 35.677 4.567 3.805
94 HE1 TYR 13 HE1 TYR 13 33.531 4.075 8.204
95 HE2 TYR 13 HE2 TYR 13 34.029 6.230 4.556
96 HH TYR 13 HH TYR 13 33.161 6.762 7.497
Start of MODEL 20
1 H1 LEU 1 H LEU 1 2.153 -3.510 -4.952
2 HA LEU 1 HA LEU 1 4.343 -2.257 -6.194
3 HB2 LEU 1 2HB LEU 1 2.557 -1.238 -7.671
4 HB3 LEU 1 3HB LEU 1 2.620 -2.997 -7.596
5 HG LEU 1 HG LEU 1 0.782 -2.202 -5.626
6 HD11 LEU 1 1HD1 LEU 1 -0.706 -0.721 -6.607
7 HD12 LEU 1 2HD1 LEU 1 -0.022 -0.941 -8.217
8 HD13 LEU 1 3HD1 LEU 1 0.863 -0.019 -7.003
9 HD21 LEU 1 1HD2 LEU 1 0.033 -3.167 -8.363
10 HD22 LEU 1 2HD2 LEU 1 -0.693 -3.566 -6.806
11 HD23 LEU 1 3HD2 LEU 1 0.895 -4.208 -7.230
12 H GLY 2 H GLY 2 4.744 -0.037 -6.613
13 HA2 GLY 2 2HA GLY 2 4.856 2.205 -6.111
14 HA3 GLY 2 3HA GLY 2 3.267 2.053 -5.375
15 H GLN 3 H GLN 3 5.891 0.045 -4.305
16 HA GLN 3 HA GLN 3 6.143 1.702 -1.883
17 HB2 GLN 3 2HB GLN 3 5.874 -1.288 -2.127
18 HB3 GLN 3 3HB GLN 3 6.537 -0.526 -0.688
19 HG2 GLN 3 2HG GLN 3 3.927 0.468 -1.667
20 HG3 GLN 3 3HG GLN 3 3.967 -1.137 -0.937
21 HE21 GLN 3 1HE2 GLN 3 5.146 -1.237 1.189
22 HE22 GLN 3 2HE2 GLN 3 4.869 0.061 2.295
23 H GLN 4 H GLN 4 7.962 2.517 -3.316
24 HA GLN 4 HA GLN 4 10.239 0.818 -3.680
25 HB2 GLN 4 2HB GLN 4 11.372 2.830 -4.455
26 HB3 GLN 4 3HB GLN 4 9.777 2.708 -5.185
27 HG2 GLN 4 2HG GLN 4 9.136 4.212 -3.092
28 HG3 GLN 4 3HG GLN 4 10.833 4.668 -3.238
29 HE21 GLN 4 1HE2 GLN 4 10.747 6.648 -4.080
30 HE22 GLN 4 2HE2 GLN 4 9.948 7.070 -5.553
31 H GLN 5 H GLN 5 12.047 0.624 -2.453
32 HA GLN 5 HA GLN 5 12.096 2.117 0.087
33 HB2 GLN 5 2HB GLN 5 12.506 -0.769 -0.509
34 HB3 GLN 5 3HB GLN 5 13.505 -0.052 0.748
35 HG2 GLN 5 2HG GLN 5 11.629 0.513 2.057
36 HG3 GLN 5 3HG GLN 5 10.515 0.195 0.729
37 HE21 GLN 5 1HE2 GLN 5 9.388 -1.573 1.034
38 HE22 GLN 5 2HE2 GLN 5 9.945 -3.028 1.782
39 HA PRO 6 HA PRO 6 16.164 3.500 -0.788
40 HB2 PRO 6 2HB PRO 6 17.375 3.342 1.637
41 HB3 PRO 6 3HB PRO 6 16.146 4.553 1.254
42 HG2 PRO 6 2HG PRO 6 15.860 1.966 2.732
43 HG3 PRO 6 3HG PRO 6 15.165 3.553 3.110
44 HD2 PRO 6 2HD PRO 6 13.741 1.589 1.908
45 HD3 PRO 6 3HD PRO 6 13.458 3.310 1.581
46 H ALA 7 H ALA 7 18.190 2.790 -1.357
47 HA ALA 7 HA ALA 7 19.160 0.227 -0.385
48 HB1 ALA 7 1HB ALA 7 18.083 0.652 -3.105
49 HB2 ALA 7 2HB ALA 7 19.587 -0.262 -2.979
50 HB3 ALA 7 3HB ALA 7 18.147 -0.812 -2.122
51 HA PRO 8 HA PRO 8 22.399 3.484 -1.216
52 HB2 PRO 8 2HB PRO 8 23.515 3.365 1.256
53 HB3 PRO 8 3HB PRO 8 22.152 4.421 0.867
54 HG2 PRO 8 2HG PRO 8 22.152 1.747 2.214
55 HG3 PRO 8 3HG PRO 8 21.236 3.208 2.627
56 HD2 PRO 8 2HD PRO 8 20.141 1.136 1.271
57 HD3 PRO 8 3HD PRO 8 19.644 2.820 1.006
58 HA PRO 9 HA PRO 9 25.688 0.658 -1.945
59 HB2 PRO 9 2HB PRO 9 27.892 2.146 -1.394
60 HB3 PRO 9 3HB PRO 9 26.886 2.411 -2.823
61 HG2 PRO 9 2HG PRO 9 26.898 3.881 -0.215
62 HG3 PRO 9 3HG PRO 9 26.794 4.527 -1.863
63 HD2 PRO 9 2HD PRO 9 24.623 4.244 -0.269
64 HD3 PRO 9 3HD PRO 9 24.541 4.071 -2.034
65 H GLN 10 H GLN 10 26.553 -0.995 -0.851
66 HA GLN 10 HA GLN 10 27.040 -0.648 2.028
67 HB2 GLN 10 2HB GLN 10 25.392 -2.318 1.691
68 HB3 GLN 10 3HB GLN 10 26.299 -3.057 0.378
69 HG2 GLN 10 2HG GLN 10 26.409 -4.423 2.370
70 HG3 GLN 10 3HG GLN 10 28.003 -3.791 1.962
71 HE21 GLN 10 1HE2 GLN 10 26.038 -4.429 4.454
72 HE22 GLN 10 2HE2 GLN 10 26.593 -3.260 5.598
73 H GLN 11 H GLN 11 29.142 -0.018 2.147
74 HA GLN 11 HA GLN 11 31.169 -1.932 1.968
75 HB2 GLN 11 2HB GLN 11 32.493 -0.820 0.090
76 HB3 GLN 11 3HB GLN 11 31.137 -1.834 -0.384
77 HG2 GLN 11 2HG GLN 11 29.770 0.076 -0.816
78 HG3 GLN 11 3HG GLN 11 30.984 1.159 -0.137
79 HE21 GLN 11 1HE2 GLN 11 31.521 2.368 -1.846
80 HE22 GLN 11 2HE2 GLN 11 32.146 1.755 -3.335
81 HA PRO 12 HA PRO 12 31.970 1.922 4.430
82 HB2 PRO 12 2HB PRO 12 32.497 0.611 6.748
83 HB3 PRO 12 3HB PRO 12 30.864 1.074 6.257
84 HG2 PRO 12 2HG PRO 12 32.233 -1.577 6.020
85 HG3 PRO 12 3HG PRO 12 30.572 -1.217 6.525
86 HD2 PRO 12 2HD PRO 12 31.181 -2.080 4.032
87 HD3 PRO 12 3HD PRO 12 29.831 -0.974 4.356
88 H TYR 13 H TYR 13 33.957 2.781 4.587
89 HA TYR 13 HA TYR 13 36.254 0.993 4.223
90 HB2 TYR 13 2HB TYR 13 35.725 3.860 3.556
91 HB3 TYR 13 3HB TYR 13 37.386 3.337 3.809
92 HD1 TYR 13 HD1 TYR 13 34.712 3.573 1.476
93 HD2 TYR 13 HD2 TYR 13 38.196 1.319 2.417
94 HE1 TYR 13 HE1 TYR 13 34.797 2.749 -0.840
95 HE2 TYR 13 HE2 TYR 13 38.291 0.490 0.103
96 HH TYR 13 HH TYR 13 37.167 0.333 -1.844
Start of MODEL 21
1 H1 LEU 1 H LEU 1 5.861 -0.600 -1.320
2 HA LEU 1 HA LEU 1 7.720 -1.670 -2.756
3 HB2 LEU 1 2HB LEU 1 7.013 -2.597 -4.811
4 HB3 LEU 1 3HB LEU 1 6.052 -3.363 -3.548
5 HG LEU 1 HG LEU 1 4.425 -1.310 -4.305
6 HD11 LEU 1 1HD1 LEU 1 5.286 -2.366 -6.937
7 HD12 LEU 1 2HD1 LEU 1 6.258 -1.087 -6.211
8 HD13 LEU 1 3HD1 LEU 1 4.542 -0.822 -6.520
9 HD21 LEU 1 1HD2 LEU 1 4.443 -3.998 -5.656
10 HD22 LEU 1 2HD2 LEU 1 3.055 -2.980 -5.269
11 HD23 LEU 1 3HD2 LEU 1 3.958 -3.770 -3.975
12 H GLY 2 H GLY 2 8.760 -0.158 -3.941
13 HA2 GLY 2 2HA GLY 2 7.438 1.778 -5.556
14 HA3 GLY 2 3HA GLY 2 7.910 2.474 -4.014
15 H GLN 3 H GLN 3 9.701 3.626 -4.231
16 HA GLN 3 HA GLN 3 11.915 2.476 -5.789
17 HB2 GLN 3 2HB GLN 3 10.561 4.499 -6.807
18 HB3 GLN 3 3HB GLN 3 11.547 5.439 -5.696
19 HG2 GLN 3 2HG GLN 3 13.565 4.629 -6.726
20 HG3 GLN 3 3HG GLN 3 12.638 3.552 -7.769
21 HE21 GLN 3 1HE2 GLN 3 13.079 6.960 -6.950
22 HE22 GLN 3 2HE2 GLN 3 12.745 7.567 -8.532
23 H GLN 4 H GLN 4 11.379 2.411 -2.931
24 HA GLN 4 HA GLN 4 13.930 3.441 -2.035
25 HB2 GLN 4 2HB GLN 4 12.261 5.309 -1.714
26 HB3 GLN 4 3HB GLN 4 11.428 4.270 -0.565
27 HG2 GLN 4 2HG GLN 4 13.521 4.158 0.764
28 HG3 GLN 4 3HG GLN 4 14.234 5.331 -0.343
29 HE21 GLN 4 1HE2 GLN 4 13.126 7.411 -0.535
30 HE22 GLN 4 2HE2 GLN 4 12.351 8.069 0.861
31 H GLN 5 H GLN 5 14.436 1.252 -1.746
32 HA GLN 5 HA GLN 5 12.836 -0.497 -0.165
33 HB2 GLN 5 2HB GLN 5 15.537 -0.603 -1.410
34 HB3 GLN 5 3HB GLN 5 15.198 -1.732 -0.105
35 HG2 GLN 5 2HG GLN 5 13.690 -2.912 -1.323
36 HG3 GLN 5 3HG GLN 5 13.195 -1.512 -2.274
37 HE21 GLN 5 1HE2 GLN 5 14.021 -4.261 -3.038
38 HE22 GLN 5 2HE2 GLN 5 15.296 -4.045 -4.184
39 HA PRO 6 HA PRO 6 14.106 0.399 3.935
40 HB2 PRO 6 2HB PRO 6 14.336 -2.073 5.034
41 HB3 PRO 6 3HB PRO 6 12.778 -1.343 4.628
42 HG2 PRO 6 2HG PRO 6 14.386 -3.351 3.096
43 HG3 PRO 6 3HG PRO 6 12.638 -3.309 3.394
44 HD2 PRO 6 2HD PRO 6 13.737 -2.495 1.057
45 HD3 PRO 6 3HD PRO 6 12.262 -1.766 1.724
46 H ALA 7 H ALA 7 15.855 0.378 5.417
47 HA ALA 7 HA ALA 7 18.041 0.348 6.050
48 HB1 ALA 7 1HB ALA 7 18.735 -1.751 6.216
49 HB2 ALA 7 2HB ALA 7 17.513 -2.245 5.044
50 HB3 ALA 7 3HB ALA 7 19.121 -1.774 4.495
51 HA PRO 8 HA PRO 8 20.362 2.559 3.054
52 HB2 PRO 8 2HB PRO 8 22.921 2.037 3.796
53 HB3 PRO 8 3HB PRO 8 21.845 3.084 4.729
54 HG2 PRO 8 2HG PRO 8 22.554 0.210 5.181
55 HG3 PRO 8 3HG PRO 8 22.412 1.526 6.361
56 HD2 PRO 8 2HD PRO 8 20.457 -0.308 5.982
57 HD3 PRO 8 3HD PRO 8 20.114 1.371 6.445
58 HA PRO 9 HA PRO 9 21.694 0.070 -0.317
59 HB2 PRO 9 2HB PRO 9 23.722 1.529 -1.378
60 HB3 PRO 9 3HB PRO 9 22.026 2.008 -1.505
61 HG2 PRO 9 2HG PRO 9 24.127 2.970 0.397
62 HG3 PRO 9 3HG PRO 9 22.906 3.904 -0.487
63 HD2 PRO 9 2HD PRO 9 22.620 3.232 2.121
64 HD3 PRO 9 3HD PRO 9 21.238 3.384 1.016
65 H GLN 10 H GLN 10 23.113 -1.544 -0.854
66 HA GLN 10 HA GLN 10 24.924 -2.454 1.097
67 HB2 GLN 10 2HB GLN 10 24.109 -3.285 -1.620
68 HB3 GLN 10 3HB GLN 10 25.697 -3.833 -1.101
69 HG2 GLN 10 2HG GLN 10 24.641 -4.774 0.940
70 HG3 GLN 10 3HG GLN 10 23.069 -4.342 0.270
71 HE21 GLN 10 1HE2 GLN 10 23.468 -6.904 0.892
72 HE22 GLN 10 2HE2 GLN 10 23.664 -7.869 -0.528
73 H GLN 11 H GLN 11 27.236 -2.844 0.820
74 HA GLN 11 HA GLN 11 29.352 -2.027 0.604
75 HB2 GLN 11 2HB GLN 11 28.181 -1.660 -2.130
76 HB3 GLN 11 3HB GLN 11 29.809 -1.090 -1.790
77 HG2 GLN 11 2HG GLN 11 30.655 -3.193 -1.572
78 HG3 GLN 11 3HG GLN 11 29.121 -3.873 -1.032
79 HE21 GLN 11 1HE2 GLN 11 30.358 -2.192 -3.907
80 HE22 GLN 11 2HE2 GLN 11 29.678 -3.292 -5.051
81 HA PRO 12 HA PRO 12 27.908 2.315 1.460
82 HB2 PRO 12 2HB PRO 12 28.902 2.407 3.984
83 HB3 PRO 12 3HB PRO 12 27.290 1.787 3.609
84 HG2 PRO 12 2HG PRO 12 29.829 0.282 4.109
85 HG3 PRO 12 3HG PRO 12 28.191 -0.060 4.696
86 HD2 PRO 12 2HD PRO 12 29.290 -1.372 2.598
87 HD3 PRO 12 3HD PRO 12 27.549 -1.042 2.713
88 H TYR 13 H TYR 13 29.378 4.094 2.518
89 HA TYR 13 HA TYR 13 31.896 3.995 1.081
90 HB2 TYR 13 2HB TYR 13 30.078 6.054 1.962
91 HB3 TYR 13 3HB TYR 13 31.715 6.423 2.492
92 HD1 TYR 13 HD1 TYR 13 29.462 6.186 -0.340
93 HD2 TYR 13 HD2 TYR 13 33.526 6.681 0.816
94 HE1 TYR 13 HE1 TYR 13 29.995 7.018 -2.593
95 HE2 TYR 13 HE2 TYR 13 34.071 7.515 -1.433
96 HH TYR 13 HH TYR 13 32.980 7.177 -3.834
Start of MODEL 22
1 H1 LEU 1 H LEU 1 6.818 1.450 4.849
2 HA LEU 1 HA LEU 1 8.552 2.102 2.922
3 HB2 LEU 1 2HB LEU 1 8.913 0.005 1.609
4 HB3 LEU 1 3HB LEU 1 9.812 0.109 3.121
5 HG LEU 1 HG LEU 1 7.215 -1.324 3.178
6 HD11 LEU 1 1HD1 LEU 1 8.307 -3.394 2.388
7 HD12 LEU 1 2HD1 LEU 1 9.700 -2.436 1.885
8 HD13 LEU 1 3HD1 LEU 1 8.131 -2.179 1.121
9 HD21 LEU 1 1HD2 LEU 1 9.799 -1.296 4.613
10 HD22 LEU 1 2HD2 LEU 1 8.982 -2.854 4.484
11 HD23 LEU 1 3HD2 LEU 1 8.157 -1.484 5.230
12 H GLY 2 H GLY 2 7.758 1.312 0.579
13 HA2 GLY 2 2HA GLY 2 5.289 0.357 -0.006
14 HA3 GLY 2 3HA GLY 2 4.956 2.000 0.522
15 H GLN 3 H GLN 3 7.589 2.904 -0.570
16 HA GLN 3 HA GLN 3 7.064 2.665 -3.447
17 HB2 GLN 3 2HB GLN 3 6.469 4.946 -1.911
18 HB3 GLN 3 3HB GLN 3 7.936 5.335 -2.799
19 HG2 GLN 3 2HG GLN 3 6.350 4.147 -4.705
20 HG3 GLN 3 3HG GLN 3 5.201 5.068 -3.736
21 HE21 GLN 3 1HE2 GLN 3 7.984 5.232 -5.814
22 HE22 GLN 3 2HE2 GLN 3 7.906 6.930 -6.122
23 H GLN 4 H GLN 4 9.104 1.586 -1.576
24 HA GLN 4 HA GLN 4 11.531 2.946 -2.471
25 HB2 GLN 4 2HB GLN 4 11.210 2.261 -0.065
26 HB3 GLN 4 3HB GLN 4 11.310 0.588 -0.598
27 HG2 GLN 4 2HG GLN 4 13.551 1.757 -1.703
28 HG3 GLN 4 3HG GLN 4 13.416 2.518 -0.118
29 HE21 GLN 4 1HE2 GLN 4 13.429 -0.622 -1.733
30 HE22 GLN 4 2HE2 GLN 4 14.150 -1.491 -0.426
31 H GLN 5 H GLN 5 12.902 2.129 -3.947
32 HA GLN 5 HA GLN 5 12.116 -0.365 -5.264
33 HB2 GLN 5 2HB GLN 5 13.587 2.082 -6.114
34 HB3 GLN 5 3HB GLN 5 13.982 0.567 -6.913
35 HG2 GLN 5 2HG GLN 5 12.074 0.536 -8.073
36 HG3 GLN 5 3HG GLN 5 11.115 1.087 -6.700
37 HE21 GLN 5 1HE2 GLN 5 11.754 1.856 -9.708
38 HE22 GLN 5 2HE2 GLN 5 11.735 3.582 -9.636
39 HA PRO 6 HA PRO 6 15.590 -2.676 -3.915
40 HB2 PRO 6 2HB PRO 6 16.283 -4.056 -6.147
41 HB3 PRO 6 3HB PRO 6 14.825 -4.410 -5.213
42 HG2 PRO 6 2HG PRO 6 15.120 -2.825 -7.735
43 HG3 PRO 6 3HG PRO 6 13.882 -4.018 -7.303
44 HD2 PRO 6 2HD PRO 6 13.450 -1.350 -7.149
45 HD3 PRO 6 3HD PRO 6 12.687 -2.506 -6.039
46 H ALA 7 H ALA 7 17.805 -2.621 -3.785
47 HA ALA 7 HA ALA 7 19.349 -1.310 -5.874
48 HB1 ALA 7 1HB ALA 7 18.739 -0.083 -3.262
49 HB2 ALA 7 2HB ALA 7 20.420 0.008 -3.790
50 HB3 ALA 7 3HB ALA 7 19.139 0.668 -4.807
51 HA PRO 8 HA PRO 8 22.515 -4.105 -4.686
52 HB2 PRO 8 2HB PRO 8 24.766 -2.638 -5.074
53 HB3 PRO 8 3HB PRO 8 23.780 -3.255 -6.405
54 HG2 PRO 8 2HG PRO 8 23.827 -0.518 -5.191
55 HG3 PRO 8 3HG PRO 8 23.757 -0.983 -6.901
56 HD2 PRO 8 2HD PRO 8 21.567 -0.204 -5.512
57 HD3 PRO 8 3HD PRO 8 21.490 -1.396 -6.826
58 HA PRO 9 HA PRO 9 23.860 -3.567 -0.534
59 HB2 PRO 9 2HB PRO 9 26.281 -4.795 -0.522
60 HB3 PRO 9 3HB PRO 9 24.755 -5.680 -0.640
61 HG2 PRO 9 2HG PRO 9 26.667 -4.903 -2.809
62 HG3 PRO 9 3HG PRO 9 25.814 -6.439 -2.567
63 HD2 PRO 9 2HD PRO 9 24.982 -4.574 -4.345
64 HD3 PRO 9 3HD PRO 9 23.855 -5.639 -3.480
65 H GLN 10 H GLN 10 24.357 -1.593 0.200
66 HA GLN 10 HA GLN 10 27.035 -0.540 -0.360
67 HB2 GLN 10 2HB GLN 10 26.092 1.743 -0.581
68 HB3 GLN 10 3HB GLN 10 25.583 0.661 -1.871
69 HG2 GLN 10 2HG GLN 10 23.457 1.034 -1.407
70 HG3 GLN 10 3HG GLN 10 23.694 0.539 0.268
71 HE21 GLN 10 1HE2 GLN 10 22.270 2.099 1.027
72 HE22 GLN 10 2HE2 GLN 10 22.677 3.778 1.067
73 H GLN 11 H GLN 11 28.071 0.099 1.418
74 HA GLN 11 HA GLN 11 26.503 0.837 3.788
75 HB2 GLN 11 2HB GLN 11 27.460 -1.597 3.737
76 HB3 GLN 11 3HB GLN 11 28.989 -0.805 4.096
77 HG2 GLN 11 2HG GLN 11 27.355 0.339 5.935
78 HG3 GLN 11 3HG GLN 11 26.660 -1.276 5.804
79 HE21 GLN 11 1HE2 GLN 11 28.338 -3.066 5.843
80 HE22 GLN 11 2HE2 GLN 11 29.590 -2.914 7.024
81 HA PRO 12 HA PRO 12 29.914 3.863 2.799
82 HB2 PRO 12 2HB PRO 12 28.326 6.064 2.875
83 HB3 PRO 12 3HB PRO 12 28.565 5.101 1.411
84 HG2 PRO 12 2HG PRO 12 26.293 5.053 3.360
85 HG3 PRO 12 3HG PRO 12 26.249 5.002 1.588
86 HD2 PRO 12 2HD PRO 12 25.973 2.784 3.117
87 HD3 PRO 12 3HD PRO 12 26.738 2.750 1.515
88 H TYR 13 H TYR 13 30.823 5.436 4.204
89 HA TYR 13 HA TYR 13 30.545 4.897 6.940
90 HB2 TYR 13 2HB TYR 13 32.189 6.569 5.272
91 HB3 TYR 13 3HB TYR 13 31.679 7.469 6.695
92 HD1 TYR 13 HD1 TYR 13 34.164 5.398 5.434
93 HD2 TYR 13 HD2 TYR 13 31.861 6.019 8.958
94 HE1 TYR 13 HE1 TYR 13 35.901 4.271 6.761
95 HE2 TYR 13 HE2 TYR 13 33.592 4.894 10.294
96 HH TYR 13 HH TYR 13 36.542 3.615 8.779
Start of MODEL 23
1 H1 LEU 1 H LEU 1 0.637 4.637 -1.985
2 HA LEU 1 HA LEU 1 0.527 2.286 -0.532
3 HB2 LEU 1 2HB LEU 1 0.867 2.922 -3.147
4 HB3 LEU 1 3HB LEU 1 2.466 2.298 -2.744
5 HG LEU 1 HG LEU 1 0.821 0.366 -1.719
6 HD11 LEU 1 1HD1 LEU 1 -0.383 1.217 -4.345
7 HD12 LEU 1 2HD1 LEU 1 -1.122 1.510 -2.771
8 HD13 LEU 1 3HD1 LEU 1 -0.869 -0.142 -3.332
9 HD21 LEU 1 1HD2 LEU 1 2.831 -0.037 -2.996
10 HD22 LEU 1 2HD2 LEU 1 2.054 0.553 -4.465
11 HD23 LEU 1 3HD2 LEU 1 1.490 -0.936 -3.706
12 H GLY 2 H GLY 2 2.589 0.725 -0.578
13 HA2 GLY 2 2HA GLY 2 4.282 1.647 1.485
14 HA3 GLY 2 3HA GLY 2 4.505 0.170 0.558
15 H GLN 3 H GLN 3 5.295 0.619 -1.775
16 HA GLN 3 HA GLN 3 7.008 1.292 -3.112
17 HB2 GLN 3 2HB GLN 3 6.127 3.798 -1.778
18 HB3 GLN 3 3HB GLN 3 7.668 3.838 -2.624
19 HG2 GLN 3 2HG GLN 3 5.501 2.607 -4.150
20 HG3 GLN 3 3HG GLN 3 5.240 4.305 -3.754
21 HE21 GLN 3 1HE2 GLN 3 6.478 2.272 -5.999
22 HE22 GLN 3 2HE2 GLN 3 7.604 3.332 -6.770
23 H GLN 4 H GLN 4 8.502 -0.130 -2.150
24 HA GLN 4 HA GLN 4 10.675 1.239 -0.784
25 HB2 GLN 4 2HB GLN 4 8.914 -0.036 0.801
26 HB3 GLN 4 3HB GLN 4 9.965 -1.387 0.398
27 HG2 GLN 4 2HG GLN 4 11.569 -0.672 1.755
28 HG3 GLN 4 3HG GLN 4 11.464 0.977 1.142
29 HE21 GLN 4 1HE2 GLN 4 11.542 -0.455 3.889
30 HE22 GLN 4 2HE2 GLN 4 10.338 0.391 4.794
31 H GLN 5 H GLN 5 12.000 0.921 -2.529
32 HA GLN 5 HA GLN 5 12.374 -1.802 -3.526
33 HB2 GLN 5 2HB GLN 5 12.832 0.909 -4.592
34 HB3 GLN 5 3HB GLN 5 14.059 -0.276 -5.018
35 HG2 GLN 5 2HG GLN 5 11.709 -1.622 -5.485
36 HG3 GLN 5 3HG GLN 5 11.337 0.027 -5.985
37 HE21 GLN 5 1HE2 GLN 5 12.288 -2.811 -7.141
38 HE22 GLN 5 2HE2 GLN 5 13.277 -2.310 -8.466
39 HA PRO 6 HA PRO 6 16.205 -2.524 -1.518
40 HB2 PRO 6 2HB PRO 6 17.660 -3.756 -3.451
41 HB3 PRO 6 3HB PRO 6 16.302 -4.533 -2.629
42 HG2 PRO 6 2HG PRO 6 16.381 -3.198 -5.307
43 HG3 PRO 6 3HG PRO 6 15.598 -4.718 -4.837
44 HD2 PRO 6 2HD PRO 6 14.230 -2.397 -5.108
45 HD3 PRO 6 3HD PRO 6 13.773 -3.643 -3.928
46 H ALA 7 H ALA 7 18.375 -1.851 -1.324
47 HA ALA 7 HA ALA 7 19.108 0.372 -3.113
48 HB1 ALA 7 1HB ALA 7 18.716 0.481 -0.419
49 HB2 ALA 7 2HB ALA 7 20.462 0.252 -0.520
50 HB3 ALA 7 3HB ALA 7 19.703 1.613 -1.345
51 HA PRO 8 HA PRO 8 22.837 -1.613 -4.299
52 HB2 PRO 8 2HB PRO 8 24.606 0.445 -4.346
53 HB3 PRO 8 3HB PRO 8 23.323 0.254 -5.546
54 HG2 PRO 8 2HG PRO 8 23.404 2.011 -3.124
55 HG3 PRO 8 3HG PRO 8 22.827 2.385 -4.758
56 HD2 PRO 8 2HD PRO 8 21.147 1.773 -2.725
57 HD3 PRO 8 3HD PRO 8 20.796 1.352 -4.414
58 HA PRO 9 HA PRO 9 25.413 -2.679 -0.899
59 HB2 PRO 9 2HB PRO 9 27.839 -3.022 -2.067
60 HB3 PRO 9 3HB PRO 9 26.497 -4.150 -2.292
61 HG2 PRO 9 2HG PRO 9 27.446 -1.952 -4.089
62 HG3 PRO 9 3HG PRO 9 26.940 -3.599 -4.507
63 HD2 PRO 9 2HD PRO 9 25.314 -1.455 -4.809
64 HD3 PRO 9 3HD PRO 9 24.698 -3.071 -4.407
65 H GLN 10 H GLN 10 25.714 -1.094 0.571
66 HA GLN 10 HA GLN 10 27.724 0.974 -0.032
67 HB2 GLN 10 2HB GLN 10 25.067 1.137 1.096
68 HB3 GLN 10 3HB GLN 10 26.256 1.798 2.209
69 HG2 GLN 10 2HG GLN 10 27.007 2.885 -0.194
70 HG3 GLN 10 3HG GLN 10 25.248 2.862 -0.302
71 HE21 GLN 10 1HE2 GLN 10 24.578 4.845 0.118
72 HE22 GLN 10 2HE2 GLN 10 25.067 5.816 1.460
73 H GLN 11 H GLN 11 29.556 0.877 1.076
74 HA GLN 11 HA GLN 11 29.549 -0.480 3.690
75 HB2 GLN 11 2HB GLN 11 30.614 -1.861 1.924
76 HB3 GLN 11 3HB GLN 11 31.765 -0.563 1.636
77 HG2 GLN 11 2HG GLN 11 33.075 -1.343 3.231
78 HG3 GLN 11 3HG GLN 11 31.777 -1.167 4.411
79 HE21 GLN 11 1HE2 GLN 11 33.913 -3.288 3.274
80 HE22 GLN 11 2HE2 GLN 11 33.054 -4.768 3.511
81 HA PRO 12 HA PRO 12 31.164 3.862 4.106
82 HB2 PRO 12 2HB PRO 12 29.680 4.459 6.299
83 HB3 PRO 12 3HB PRO 12 29.085 4.676 4.649
84 HG2 PRO 12 2HG PRO 12 28.567 2.440 6.570
85 HG3 PRO 12 3HG PRO 12 27.432 3.277 5.495
86 HD2 PRO 12 2HD PRO 12 28.491 0.857 4.897
87 HD3 PRO 12 3HD PRO 12 28.082 2.054 3.652
88 H TYR 13 H TYR 13 32.798 4.464 5.452
89 HA TYR 13 HA TYR 13 33.363 2.712 7.753
90 HB2 TYR 13 2HB TYR 13 35.802 3.187 7.267
91 HB3 TYR 13 3HB TYR 13 34.981 2.159 6.098
92 HD1 TYR 13 HD1 TYR 13 35.287 2.612 3.855
93 HD2 TYR 13 HD2 TYR 13 35.745 5.774 6.665
94 HE1 TYR 13 HE1 TYR 13 35.980 4.119 2.038
95 HE2 TYR 13 HE2 TYR 13 36.438 7.290 4.856
96 HH TYR 13 HH TYR 13 37.337 6.226 1.811
Start of MODEL 24
1 H1 LEU 1 H LEU 1 4.646 -4.256 -3.084
2 HA LEU 1 HA LEU 1 2.800 -2.068 -3.513
3 HB2 LEU 1 2HB LEU 1 2.294 -3.674 -1.379
4 HB3 LEU 1 3HB LEU 1 3.362 -2.473 -0.658
5 HG LEU 1 HG LEU 1 1.691 -0.787 -1.805
6 HD11 LEU 1 1HD1 LEU 1 0.245 -3.387 -1.790
7 HD12 LEU 1 2HD1 LEU 1 0.175 -2.060 -2.949
8 HD13 LEU 1 3HD1 LEU 1 -0.647 -1.918 -1.396
9 HD21 LEU 1 1HD2 LEU 1 1.892 -2.029 0.785
10 HD22 LEU 1 2HD2 LEU 1 0.224 -1.571 0.438
11 HD23 LEU 1 3HD2 LEU 1 1.506 -0.360 0.367
12 H GLY 2 H GLY 2 3.599 -0.196 -1.854
13 HA2 GLY 2 2HA GLY 2 5.351 1.134 -1.116
14 HA3 GLY 2 3HA GLY 2 6.455 -0.193 -1.446
15 H GLN 3 H GLN 3 6.206 2.834 -2.147
16 HA GLN 3 HA GLN 3 6.625 2.575 -5.044
17 HB2 GLN 3 2HB GLN 3 6.097 5.042 -3.379
18 HB3 GLN 3 3HB GLN 3 6.311 5.019 -5.124
19 HG2 GLN 3 2HG GLN 3 4.194 3.315 -3.916
20 HG3 GLN 3 3HG GLN 3 3.925 5.052 -4.048
21 HE21 GLN 3 1HE2 GLN 3 2.384 5.036 -5.598
22 HE22 GLN 3 2HE2 GLN 3 2.638 4.473 -7.211
23 H GLN 4 H GLN 4 8.592 1.843 -2.990
24 HA GLN 4 HA GLN 4 10.830 3.293 -4.095
25 HB2 GLN 4 2HB GLN 4 10.216 4.751 -2.235
26 HB3 GLN 4 3HB GLN 4 10.261 3.386 -1.127
27 HG2 GLN 4 2HG GLN 4 12.274 4.506 -0.776
28 HG3 GLN 4 3HG GLN 4 12.700 3.129 -1.793
29 HE21 GLN 4 1HE2 GLN 4 14.260 5.445 -1.514
30 HE22 GLN 4 2HE2 GLN 4 14.321 6.244 -3.044
31 H GLN 5 H GLN 5 12.166 1.718 -4.659
32 HA GLN 5 HA GLN 5 12.096 -0.862 -3.412
33 HB2 GLN 5 2HB GLN 5 13.520 0.379 -5.705
34 HB3 GLN 5 3HB GLN 5 14.269 -1.033 -4.970
35 HG2 GLN 5 2HG GLN 5 12.997 -2.020 -6.583
36 HG3 GLN 5 3HG GLN 5 11.878 -2.058 -5.222
37 HE21 GLN 5 1HE2 GLN 5 11.881 -1.666 -8.358
38 HE22 GLN 5 2HE2 GLN 5 10.648 -0.473 -8.563
39 HA PRO 6 HA PRO 6 15.282 -0.516 -0.418
40 HB2 PRO 6 2HB PRO 6 16.584 -2.885 -0.666
41 HB3 PRO 6 3HB PRO 6 14.968 -2.746 0.038
42 HG2 PRO 6 2HG PRO 6 15.764 -3.558 -2.731
43 HG3 PRO 6 3HG PRO 6 14.538 -4.269 -1.666
44 HD2 PRO 6 2HD PRO 6 13.909 -2.577 -3.684
45 HD3 PRO 6 3HD PRO 6 12.976 -2.652 -2.175
46 H ALA 7 H ALA 7 17.358 0.190 -0.172
47 HA ALA 7 HA ALA 7 18.874 0.660 -2.605
48 HB1 ALA 7 1HB ALA 7 20.112 1.572 -0.139
49 HB2 ALA 7 2HB ALA 7 19.642 2.483 -1.575
50 HB3 ALA 7 3HB ALA 7 18.452 2.142 -0.319
51 HA PRO 8 HA PRO 8 21.950 -2.422 -2.064
52 HB2 PRO 8 2HB PRO 8 24.219 -1.115 -2.780
53 HB3 PRO 8 3HB PRO 8 22.978 -1.592 -3.944
54 HG2 PRO 8 2HG PRO 8 23.453 1.074 -2.666
55 HG3 PRO 8 3HG PRO 8 23.061 0.696 -4.354
56 HD2 PRO 8 2HD PRO 8 21.206 1.574 -2.589
57 HD3 PRO 8 3HD PRO 8 20.813 0.454 -3.909
58 HA PRO 9 HA PRO 9 24.007 -2.182 1.815
59 HB2 PRO 9 2HB PRO 9 26.285 -3.591 1.375
60 HB3 PRO 9 3HB PRO 9 24.693 -4.350 1.489
61 HG2 PRO 9 2HG PRO 9 26.275 -3.622 -0.946
62 HG3 PRO 9 3HG PRO 9 25.349 -5.097 -0.613
63 HD2 PRO 9 2HD PRO 9 24.391 -3.094 -2.163
64 HD3 PRO 9 3HD PRO 9 23.339 -4.108 -1.154
65 H GLN 10 H GLN 10 24.642 -0.145 2.326
66 HA GLN 10 HA GLN 10 26.493 1.427 0.959
67 HB2 GLN 10 2HB GLN 10 25.435 1.458 3.764
68 HB3 GLN 10 3HB GLN 10 26.708 2.574 3.291
69 HG2 GLN 10 2HG GLN 10 24.978 2.982 1.282
70 HG3 GLN 10 3HG GLN 10 23.855 2.530 2.564
71 HE21 GLN 10 1HE2 GLN 10 22.963 4.378 3.187
72 HE22 GLN 10 2HE2 GLN 10 23.824 5.794 3.675
73 H GLN 11 H GLN 11 28.662 1.981 1.407
74 HA GLN 11 HA GLN 11 30.142 -0.012 2.991
75 HB2 GLN 11 2HB GLN 11 30.580 0.929 0.199
76 HB3 GLN 11 3HB GLN 11 31.998 0.594 1.184
77 HG2 GLN 11 2HG GLN 11 30.939 -1.667 1.659
78 HG3 GLN 11 3HG GLN 11 29.824 -1.292 0.346
79 HE21 GLN 11 1HE2 GLN 11 30.439 -2.642 -1.217
80 HE22 GLN 11 2HE2 GLN 11 32.031 -2.736 -1.881
81 HA PRO 12 HA PRO 12 31.102 4.284 4.474
82 HB2 PRO 12 2HB PRO 12 30.888 3.673 7.110
83 HB3 PRO 12 3HB PRO 12 29.504 4.153 6.120
84 HG2 PRO 12 2HG PRO 12 30.386 1.413 6.941
85 HG3 PRO 12 3HG PRO 12 28.750 2.096 6.899
86 HD2 PRO 12 2HD PRO 12 29.696 0.464 4.957
87 HD3 PRO 12 3HD PRO 12 28.533 1.764 4.629
88 H TYR 13 H TYR 13 33.015 5.007 5.426
89 HA TYR 13 HA TYR 13 35.036 2.913 5.885
90 HB2 TYR 13 2HB TYR 13 35.076 4.994 4.051
91 HB3 TYR 13 3HB TYR 13 36.089 5.582 5.365
92 HD1 TYR 13 HD1 TYR 13 35.589 2.285 3.662
93 HD2 TYR 13 HD2 TYR 13 38.333 5.255 4.985
94 HE1 TYR 13 HE1 TYR 13 37.458 0.924 2.821
95 HE2 TYR 13 HE2 TYR 13 40.209 3.904 4.147
96 HH TYR 13 HH TYR 13 40.563 1.327 3.697
Start of MODEL 25
1 H1 LEU 1 H LEU 1 3.723 -0.783 1.801
2 HA LEU 1 HA LEU 1 4.855 -1.836 -0.047
3 HB2 LEU 1 2HB LEU 1 2.372 -1.835 -0.125
4 HB3 LEU 1 3HB LEU 1 2.443 -0.383 -1.120
5 HG LEU 1 HG LEU 1 4.023 -2.544 -2.240
6 HD11 LEU 1 1HD1 LEU 1 2.366 -3.952 -1.137
7 HD12 LEU 1 2HD1 LEU 1 2.153 -3.970 -2.887
8 HD13 LEU 1 3HD1 LEU 1 1.067 -3.016 -1.876
9 HD21 LEU 1 1HD2 LEU 1 2.248 -1.993 -4.110
10 HD22 LEU 1 2HD2 LEU 1 3.566 -0.881 -3.739
11 HD23 LEU 1 3HD2 LEU 1 1.952 -0.585 -3.090
12 H GLY 2 H GLY 2 5.920 -1.650 -2.040
13 HA2 GLY 2 2HA GLY 2 7.145 -0.614 -3.685
14 HA3 GLY 2 3HA GLY 2 6.030 0.739 -3.556
15 H GLN 3 H GLN 3 7.872 -0.405 -0.820
16 HA GLN 3 HA GLN 3 9.216 2.183 -0.701
17 HB2 GLN 3 2HB GLN 3 8.633 0.016 1.273
18 HB3 GLN 3 3HB GLN 3 9.971 1.113 1.586
19 HG2 GLN 3 2HG GLN 3 7.652 2.605 0.812
20 HG3 GLN 3 3HG GLN 3 7.253 1.508 2.134
21 HE21 GLN 3 1HE2 GLN 3 8.926 1.502 3.931
22 HE22 GLN 3 2HE2 GLN 3 9.515 3.048 4.431
23 H GLN 4 H GLN 4 10.450 1.261 -2.669
24 HA GLN 4 HA GLN 4 13.078 0.582 -1.758
25 HB2 GLN 4 2HB GLN 4 11.505 -1.596 -2.160
26 HB3 GLN 4 3HB GLN 4 12.191 -1.389 -3.766
27 HG2 GLN 4 2HG GLN 4 13.623 -2.870 -2.659
28 HG3 GLN 4 3HG GLN 4 14.455 -1.316 -2.641
29 HE21 GLN 4 1HE2 GLN 4 13.469 -3.918 -0.810
30 HE22 GLN 4 2HE2 GLN 4 13.683 -3.235 0.763
31 H GLN 5 H GLN 5 13.955 2.270 -2.827
32 HA GLN 5 HA GLN 5 13.247 2.795 -5.592
33 HB2 GLN 5 2HB GLN 5 14.671 4.233 -3.442
34 HB3 GLN 5 3HB GLN 5 15.268 4.527 -5.070
35 HG2 GLN 5 2HG GLN 5 13.548 5.836 -5.559
36 HG3 GLN 5 3HG GLN 5 12.385 4.653 -4.962
37 HE21 GLN 5 1HE2 GLN 5 11.719 4.747 -2.811
38 HE22 GLN 5 2HE2 GLN 5 11.946 6.161 -1.845
39 HA PRO 6 HA PRO 6 16.626 0.789 -7.539
40 HB2 PRO 6 2HB PRO 6 17.331 2.563 -9.470
41 HB3 PRO 6 3HB PRO 6 15.843 1.611 -9.537
42 HG2 PRO 6 2HG PRO 6 16.239 4.450 -8.673
43 HG3 PRO 6 3HG PRO 6 14.960 3.757 -9.687
44 HD2 PRO 6 2HD PRO 6 14.597 4.318 -7.063
45 HD3 PRO 6 3HD PRO 6 13.777 2.967 -7.873
46 H ALA 7 H ALA 7 18.087 0.863 -5.738
47 HA ALA 7 HA ALA 7 20.472 2.376 -6.316
48 HB1 ALA 7 1HB ALA 7 20.198 2.914 -3.599
49 HB2 ALA 7 2HB ALA 7 20.080 4.069 -4.928
50 HB3 ALA 7 3HB ALA 7 18.624 3.297 -4.298
51 HA PRO 8 HA PRO 8 22.468 -1.096 -4.524
52 HB2 PRO 8 2HB PRO 8 24.666 0.017 -3.383
53 HB3 PRO 8 3HB PRO 8 24.467 -0.142 -5.133
54 HG2 PRO 8 2HG PRO 8 24.011 2.244 -3.383
55 HG3 PRO 8 3HG PRO 8 24.799 2.154 -4.969
56 HD2 PRO 8 2HD PRO 8 22.244 2.994 -4.658
57 HD3 PRO 8 3HD PRO 8 22.794 2.123 -6.104
58 HA PRO 9 HA PRO 9 21.538 -1.645 -0.261
59 HB2 PRO 9 2HB PRO 9 23.560 -3.241 0.595
60 HB3 PRO 9 3HB PRO 9 22.269 -3.813 -0.469
61 HG2 PRO 9 2HG PRO 9 25.050 -2.948 -1.161
62 HG3 PRO 9 3HG PRO 9 24.126 -4.334 -1.769
63 HD2 PRO 9 2HD PRO 9 24.396 -2.035 -3.173
64 HD3 PRO 9 3HD PRO 9 22.940 -3.046 -3.268
65 H GLN 10 H GLN 10 22.650 -1.648 2.007
66 HA GLN 10 HA GLN 10 23.915 0.920 2.291
67 HB2 GLN 10 2HB GLN 10 23.815 0.407 4.728
68 HB3 GLN 10 3HB GLN 10 22.258 0.297 3.918
69 HG2 GLN 10 2HG GLN 10 22.029 -1.696 4.852
70 HG3 GLN 10 3HG GLN 10 23.283 -2.267 3.753
71 HE21 GLN 10 1HE2 GLN 10 25.141 -2.974 4.579
72 HE22 GLN 10 2HE2 GLN 10 25.607 -2.847 6.238
73 H GLN 11 H GLN 11 25.988 1.371 2.891
74 HA GLN 11 HA GLN 11 27.811 -0.718 3.683
75 HB2 GLN 11 2HB GLN 11 27.630 -0.723 1.104
76 HB3 GLN 11 3HB GLN 11 28.529 0.786 1.182
77 HG2 GLN 11 2HG GLN 11 30.387 -0.299 2.226
78 HG3 GLN 11 3HG GLN 11 29.478 -1.801 2.386
79 HE21 GLN 11 1HE2 GLN 11 31.085 -2.912 1.240
80 HE22 GLN 11 2HE2 GLN 11 31.232 -2.774 -0.476
81 HA PRO 12 HA PRO 12 28.668 3.533 5.348
82 HB2 PRO 12 2HB PRO 12 28.834 2.739 7.939
83 HB3 PRO 12 3HB PRO 12 27.307 3.178 7.165
84 HG2 PRO 12 2HG PRO 12 28.464 0.463 7.667
85 HG3 PRO 12 3HG PRO 12 26.796 1.025 7.878
86 HD2 PRO 12 2HD PRO 12 27.590 -0.404 5.719
87 HD3 PRO 12 3HD PRO 12 26.311 0.825 5.634
88 H TYR 13 H TYR 13 30.715 4.187 5.248
89 HA TYR 13 HA TYR 13 32.894 2.343 5.328
90 HB2 TYR 13 2HB TYR 13 32.481 4.877 4.271
91 HB3 TYR 13 3HB TYR 13 33.650 5.148 5.559
92 HD1 TYR 13 HD1 TYR 13 35.701 3.520 5.580
93 HD2 TYR 13 HD2 TYR 13 33.233 4.210 2.183
94 HE1 TYR 13 HE1 TYR 13 37.507 2.722 4.113
95 HE2 TYR 13 HE2 TYR 13 35.032 3.413 0.707
96 HH TYR 13 HH TYR 13 37.639 1.684 1.754
Start of MODEL 26
1 H1 LEU 1 H LEU 1 6.163 -2.872 -0.626
2 HA LEU 1 HA LEU 1 7.861 -1.370 -0.368
3 HB2 LEU 1 2HB LEU 1 8.997 -0.749 -2.521
4 HB3 LEU 1 3HB LEU 1 8.785 -2.475 -2.233
5 HG LEU 1 HG LEU 1 6.686 -1.158 -3.842
6 HD11 LEU 1 1HD1 LEU 1 9.334 -1.771 -5.117
7 HD12 LEU 1 2HD1 LEU 1 8.902 -0.149 -4.577
8 HD13 LEU 1 3HD1 LEU 1 7.937 -0.952 -5.816
9 HD21 LEU 1 1HD2 LEU 1 7.661 -3.768 -3.304
10 HD22 LEU 1 2HD2 LEU 1 7.856 -3.457 -5.030
11 HD23 LEU 1 3HD2 LEU 1 6.269 -3.292 -4.276
12 H GLY 2 H GLY 2 8.510 0.853 -0.486
13 HA2 GLY 2 2HA GLY 2 6.822 2.746 -1.870
14 HA3 GLY 2 3HA GLY 2 6.599 2.735 -0.127
15 H GLN 3 H GLN 3 9.106 3.033 -2.624
16 HA GLN 3 HA GLN 3 11.014 4.267 -2.723
17 HB2 GLN 3 2HB GLN 3 9.597 5.965 -0.662
18 HB3 GLN 3 3HB GLN 3 11.005 6.452 -1.595
19 HG2 GLN 3 2HG GLN 3 9.723 6.309 -3.649
20 HG3 GLN 3 3HG GLN 3 8.313 5.755 -2.746
21 HE21 GLN 3 1HE2 GLN 3 10.668 8.341 -2.168
22 HE22 GLN 3 2HE2 GLN 3 9.504 9.613 -2.061
23 H GLN 4 H GLN 4 11.093 2.030 -1.053
24 HA GLN 4 HA GLN 4 12.505 2.845 1.362
25 HB2 GLN 4 2HB GLN 4 10.804 0.948 1.280
26 HB3 GLN 4 3HB GLN 4 12.025 0.024 0.415
27 HG2 GLN 4 2HG GLN 4 13.442 0.880 2.561
28 HG3 GLN 4 3HG GLN 4 11.832 0.704 3.257
29 HE21 GLN 4 1HE2 GLN 4 10.755 -1.418 2.225
30 HE22 GLN 4 2HE2 GLN 4 11.717 -2.835 2.448
31 H GLN 5 H GLN 5 13.949 3.729 -0.679
32 HA GLN 5 HA GLN 5 15.966 3.658 -1.737
33 HB2 GLN 5 2HB GLN 5 16.781 1.699 0.402
34 HB3 GLN 5 3HB GLN 5 17.795 2.856 -0.449
35 HG2 GLN 5 2HG GLN 5 16.532 4.687 0.646
36 HG3 GLN 5 3HG GLN 5 15.662 3.472 1.580
37 HE21 GLN 5 1HE2 GLN 5 16.704 4.984 3.242
38 HE22 GLN 5 2HE2 GLN 5 18.237 4.477 3.858
39 HA PRO 6 HA PRO 6 14.944 -0.414 -3.752
40 HB2 PRO 6 2HB PRO 6 14.504 0.638 -6.216
41 HB3 PRO 6 3HB PRO 6 13.241 0.514 -4.985
42 HG2 PRO 6 2HG PRO 6 14.910 2.877 -5.754
43 HG3 PRO 6 3HG PRO 6 13.173 2.800 -5.406
44 HD2 PRO 6 2HD PRO 6 14.985 3.681 -3.596
45 HD3 PRO 6 3HD PRO 6 13.502 2.826 -3.124
46 H ALA 7 H ALA 7 17.143 -0.995 -3.490
47 HA ALA 7 HA ALA 7 18.656 -1.034 -5.874
48 HB1 ALA 7 1HB ALA 7 19.665 0.954 -5.725
49 HB2 ALA 7 2HB ALA 7 19.176 1.177 -4.045
50 HB3 ALA 7 3HB ALA 7 20.613 0.228 -4.426
51 HA PRO 8 HA PRO 8 20.562 -4.433 -3.856
52 HB2 PRO 8 2HB PRO 8 23.052 -4.433 -4.938
53 HB3 PRO 8 3HB PRO 8 21.610 -4.904 -5.846
54 HG2 PRO 8 2HG PRO 8 23.078 -2.295 -5.842
55 HG3 PRO 8 3HG PRO 8 22.412 -3.201 -7.212
56 HD2 PRO 8 2HD PRO 8 21.148 -1.069 -6.123
57 HD3 PRO 8 3HD PRO 8 20.270 -2.436 -6.839
58 HA PRO 9 HA PRO 9 22.966 -3.272 -0.363
59 HB2 PRO 9 2HB PRO 9 24.584 -5.422 -0.005
60 HB3 PRO 9 3HB PRO 9 22.850 -5.457 0.336
61 HG2 PRO 9 2HG PRO 9 24.327 -6.444 -2.073
62 HG3 PRO 9 3HG PRO 9 23.000 -7.212 -1.182
63 HD2 PRO 9 2HD PRO 9 22.614 -5.878 -3.507
64 HD3 PRO 9 3HD PRO 9 21.392 -5.926 -2.219
65 H GLN 10 H GLN 10 24.440 -1.698 -0.428
66 HA GLN 10 HA GLN 10 26.963 -2.202 -1.863
67 HB2 GLN 10 2HB GLN 10 27.097 0.184 -2.351
68 HB3 GLN 10 3HB GLN 10 25.608 -0.496 -2.995
69 HG2 GLN 10 2HG GLN 10 24.324 0.812 -1.728
70 HG3 GLN 10 3HG GLN 10 25.325 0.569 -0.297
71 HE21 GLN 10 1HE2 GLN 10 25.648 2.574 0.422
72 HE22 GLN 10 2HE2 GLN 10 26.337 3.862 -0.499
73 H GLN 11 H GLN 11 26.257 -2.724 0.946
74 HA GLN 11 HA GLN 11 27.227 -2.560 2.997
75 HB2 GLN 11 2HB GLN 11 29.305 -1.767 1.118
76 HB3 GLN 11 3HB GLN 11 29.507 -1.005 2.690
77 HG2 GLN 11 2HG GLN 11 30.227 -2.888 3.610
78 HG3 GLN 11 3HG GLN 11 28.882 -3.813 2.945
79 HE21 GLN 11 1HE2 GLN 11 32.180 -3.309 2.863
80 HE22 GLN 11 2HE2 GLN 11 32.544 -4.168 1.410
81 HA PRO 12 HA PRO 12 25.986 1.237 4.806
82 HB2 PRO 12 2HB PRO 12 27.574 1.389 7.003
83 HB3 PRO 12 3HB PRO 12 26.242 0.236 6.858
84 HG2 PRO 12 2HG PRO 12 29.174 -0.192 6.430
85 HG3 PRO 12 3HG PRO 12 28.003 -1.227 7.268
86 HD2 PRO 12 2HD PRO 12 28.828 -1.715 4.736
87 HD3 PRO 12 3HD PRO 12 27.195 -2.119 5.302
88 H TYR 13 H TYR 13 26.916 3.331 5.808
89 HA TYR 13 HA TYR 13 28.790 4.416 3.896
90 HB2 TYR 13 2HB TYR 13 26.656 5.440 5.421
91 HB3 TYR 13 3HB TYR 13 28.101 6.258 6.003
92 HD1 TYR 13 HD1 TYR 13 28.633 8.244 4.968
93 HD2 TYR 13 HD2 TYR 13 26.603 5.254 2.722
94 HE1 TYR 13 HE1 TYR 13 28.559 9.757 3.031
95 HE2 TYR 13 HE2 TYR 13 26.525 6.759 0.779
96 HH TYR 13 HH TYR 13 27.893 10.036 0.936
Start of MODEL 27
1 H1 LEU 1 H LEU 1 3.419 -1.586 3.013
2 HA LEU 1 HA LEU 1 3.852 -0.286 1.197
3 HB2 LEU 1 2HB LEU 1 6.153 0.648 1.045
4 HB3 LEU 1 3HB LEU 1 5.387 0.839 2.621
5 HG LEU 1 HG LEU 1 7.152 -1.514 2.270
6 HD11 LEU 1 1HD1 LEU 1 9.170 -0.366 2.370
7 HD12 LEU 1 2HD1 LEU 1 8.395 1.159 2.798
8 HD13 LEU 1 3HD1 LEU 1 8.253 0.529 1.157
9 HD21 LEU 1 1HD2 LEU 1 6.219 0.303 4.406
10 HD22 LEU 1 2HD2 LEU 1 7.847 -0.353 4.580
11 HD23 LEU 1 3HD2 LEU 1 6.468 -1.443 4.426
12 H GLY 2 H GLY 2 4.873 -0.211 -0.936
13 HA2 GLY 2 2HA GLY 2 6.438 -2.518 -1.747
14 HA3 GLY 2 3HA GLY 2 4.803 -2.465 -2.389
15 H GLN 3 H GLN 3 6.791 0.370 -1.804
16 HA GLN 3 HA GLN 3 7.127 0.690 -4.710
17 HB2 GLN 3 2HB GLN 3 6.306 2.839 -2.749
18 HB3 GLN 3 3HB GLN 3 6.685 3.108 -4.445
19 HG2 GLN 3 2HG GLN 3 4.720 1.057 -4.262
20 HG3 GLN 3 3HG GLN 3 4.206 2.431 -3.285
21 HE21 GLN 3 1HE2 GLN 3 4.723 1.214 -6.447
22 HE22 GLN 3 2HE2 GLN 3 4.153 2.594 -7.315
23 H GLN 4 H GLN 4 8.952 -0.243 -2.593
24 HA GLN 4 HA GLN 4 10.779 1.652 -1.746
25 HB2 GLN 4 2HB GLN 4 12.432 -0.205 -1.711
26 HB3 GLN 4 3HB GLN 4 10.899 -0.622 -0.957
27 HG2 GLN 4 2HG GLN 4 10.286 -1.628 -3.236
28 HG3 GLN 4 3HG GLN 4 12.013 -1.536 -3.578
29 HE21 GLN 4 1HE2 GLN 4 12.495 -3.661 -3.592
30 HE22 GLN 4 2HE2 GLN 4 12.327 -4.708 -2.228
31 H GLN 5 H GLN 5 12.838 2.302 -2.554
32 HA GLN 5 HA GLN 5 12.929 2.374 -5.493
33 HB2 GLN 5 2HB GLN 5 13.455 4.364 -3.401
34 HB3 GLN 5 3HB GLN 5 14.684 4.308 -4.658
35 HG2 GLN 5 2HG GLN 5 13.219 5.874 -5.480
36 HG3 GLN 5 3HG GLN 5 12.675 4.403 -6.285
37 HE21 GLN 5 1HE2 GLN 5 10.785 5.997 -6.440
38 HE22 GLN 5 2HE2 GLN 5 9.587 5.861 -5.203
39 HA PRO 6 HA PRO 6 16.753 0.233 -5.653
40 HB2 PRO 6 2HB PRO 6 18.102 1.579 -7.587
41 HB3 PRO 6 3HB PRO 6 16.719 0.532 -7.931
42 HG2 PRO 6 2HG PRO 6 16.820 3.513 -7.672
43 HG3 PRO 6 3HG PRO 6 15.964 2.522 -8.868
44 HD2 PRO 6 2HD PRO 6 14.720 3.624 -6.730
45 HD3 PRO 6 3HD PRO 6 14.219 2.072 -7.432
46 H ALA 7 H ALA 7 18.936 0.279 -5.036
47 HA ALA 7 HA ALA 7 20.340 2.689 -4.471
48 HB1 ALA 7 1HB ALA 7 19.582 3.149 -2.436
49 HB2 ALA 7 2HB ALA 7 18.603 1.681 -2.414
50 HB3 ALA 7 3HB ALA 7 20.284 1.628 -1.883
51 HA PRO 8 HA PRO 8 23.791 -0.019 -4.555
52 HB2 PRO 8 2HB PRO 8 25.527 1.194 -2.857
53 HB3 PRO 8 3HB PRO 8 25.134 1.843 -4.453
54 HG2 PRO 8 2HG PRO 8 24.062 2.631 -1.772
55 HG3 PRO 8 3HG PRO 8 24.562 3.663 -3.124
56 HD2 PRO 8 2HD PRO 8 21.965 3.092 -2.610
57 HD3 PRO 8 3HD PRO 8 22.577 3.358 -4.255
58 HA PRO 9 HA PRO 9 23.834 -2.905 -1.238
59 HB2 PRO 9 2HB PRO 9 26.427 -3.707 -1.172
60 HB3 PRO 9 3HB PRO 9 25.313 -4.164 -2.466
61 HG2 PRO 9 2HG PRO 9 27.387 -2.005 -2.427
62 HG3 PRO 9 3HG PRO 9 26.996 -3.157 -3.717
63 HD2 PRO 9 2HD PRO 9 26.119 -0.595 -3.737
64 HD3 PRO 9 3HD PRO 9 25.180 -1.931 -4.434
65 H GLN 10 H GLN 10 23.849 -2.759 0.919
66 HA GLN 10 HA GLN 10 24.894 -0.537 2.273
67 HB2 GLN 10 2HB GLN 10 23.053 -2.365 2.906
68 HB3 GLN 10 3HB GLN 10 24.409 -3.047 3.795
69 HG2 GLN 10 2HG GLN 10 24.584 -0.472 4.561
70 HG3 GLN 10 3HG GLN 10 22.846 -0.608 4.297
71 HE21 GLN 10 1HE2 GLN 10 21.738 -2.368 5.404
72 HE22 GLN 10 2HE2 GLN 10 22.308 -2.869 6.956
73 H GLN 11 H GLN 11 26.857 -0.092 3.025
74 HA GLN 11 HA GLN 11 28.651 -2.205 3.865
75 HB2 GLN 11 2HB GLN 11 29.036 -0.636 1.371
76 HB3 GLN 11 3HB GLN 11 30.456 -0.918 2.369
77 HG2 GLN 11 2HG GLN 11 29.702 -3.390 2.321
78 HG3 GLN 11 3HG GLN 11 28.738 -2.892 0.932
79 HE21 GLN 11 1HE2 GLN 11 29.697 -3.369 -0.897
80 HE22 GLN 11 2HE2 GLN 11 31.391 -3.277 -1.221
81 HA PRO 12 HA PRO 12 30.081 0.800 6.721
82 HB2 PRO 12 2HB PRO 12 32.717 0.190 6.947
83 HB3 PRO 12 3HB PRO 12 31.435 -0.828 7.614
84 HG2 PRO 12 2HG PRO 12 32.966 -1.140 5.060
85 HG3 PRO 12 3HG PRO 12 32.511 -2.374 6.250
86 HD2 PRO 12 2HD PRO 12 31.152 -2.011 3.937
87 HD3 PRO 12 3HD PRO 12 30.364 -2.551 5.433
88 H TYR 13 H TYR 13 31.328 2.715 6.995
89 HA TYR 13 HA TYR 13 32.041 3.969 4.469
90 HB2 TYR 13 2HB TYR 13 30.836 4.873 6.836
91 HB3 TYR 13 3HB TYR 13 32.411 5.657 6.787
92 HD1 TYR 13 HD1 TYR 13 29.101 6.066 5.914
93 HD2 TYR 13 HD2 TYR 13 33.000 6.542 4.278
94 HE1 TYR 13 HE1 TYR 13 28.223 7.717 4.316
95 HE2 TYR 13 HE2 TYR 13 32.133 8.195 2.676
96 HH TYR 13 HH TYR 13 29.226 8.522 1.766
Start of MODEL 28
1 H1 LEU 1 H LEU 1 1.129 0.780 2.322
2 HA LEU 1 HA LEU 1 2.798 1.374 0.858
3 HB2 LEU 1 2HB LEU 1 3.239 2.330 3.326
4 HB3 LEU 1 3HB LEU 1 4.731 1.420 3.095
5 HG LEU 1 HG LEU 1 4.367 2.956 0.763
6 HD11 LEU 1 1HD1 LEU 1 3.797 4.488 3.288
7 HD12 LEU 1 2HD1 LEU 1 2.826 4.414 1.818
8 HD13 LEU 1 3HD1 LEU 1 4.381 5.244 1.805
9 HD21 LEU 1 1HD2 LEU 1 6.526 2.430 1.514
10 HD22 LEU 1 2HD2 LEU 1 6.217 3.078 3.126
11 HD23 LEU 1 3HD2 LEU 1 6.377 4.172 1.751
12 H GLY 2 H GLY 2 5.334 1.044 0.449
13 HA2 GLY 2 2HA GLY 2 7.127 -0.605 0.577
14 HA3 GLY 2 3HA GLY 2 5.888 -1.844 0.718
15 H GLN 3 H GLN 3 5.981 0.877 -1.540
16 HA GLN 3 HA GLN 3 6.203 -1.070 -3.740
17 HB2 GLN 3 2HB GLN 3 3.944 0.226 -3.276
18 HB3 GLN 3 3HB GLN 3 4.771 1.519 -4.135
19 HG2 GLN 3 2HG GLN 3 4.268 0.589 -6.071
20 HG3 GLN 3 3HG GLN 3 5.104 -0.892 -5.603
21 HE21 GLN 3 1HE2 GLN 3 3.628 -2.216 -6.627
22 HE22 GLN 3 2HE2 GLN 3 2.024 -2.459 -6.032
23 H GLN 4 H GLN 4 8.533 -0.215 -2.931
24 HA GLN 4 HA GLN 4 9.331 1.711 -4.988
25 HB2 GLN 4 2HB GLN 4 9.089 2.752 -2.631
26 HB3 GLN 4 3HB GLN 4 10.547 1.850 -2.243
27 HG2 GLN 4 2HG GLN 4 11.458 3.008 -4.413
28 HG3 GLN 4 3HG GLN 4 10.178 4.169 -4.065
29 HE21 GLN 4 1HE2 GLN 4 13.321 3.774 -3.746
30 HE22 GLN 4 2HE2 GLN 4 13.615 4.586 -2.250
31 H GLN 5 H GLN 5 11.457 1.467 -5.749
32 HA GLN 5 HA GLN 5 12.419 -1.166 -5.840
33 HB2 GLN 5 2HB GLN 5 13.354 1.478 -6.793
34 HB3 GLN 5 3HB GLN 5 14.580 0.226 -6.645
35 HG2 GLN 5 2HG GLN 5 13.617 -1.099 -8.268
36 HG3 GLN 5 3HG GLN 5 12.030 -0.354 -8.080
37 HE21 GLN 5 1HE2 GLN 5 12.474 -0.477 -10.527
38 HE22 GLN 5 2HE2 GLN 5 13.137 0.954 -11.232
39 HA PRO 6 HA PRO 6 15.057 -1.627 -2.368
40 HB2 PRO 6 2HB PRO 6 17.177 -2.963 -3.412
41 HB3 PRO 6 3HB PRO 6 15.594 -3.712 -3.170
42 HG2 PRO 6 2HG PRO 6 16.794 -2.585 -5.670
43 HG3 PRO 6 3HG PRO 6 15.875 -4.085 -5.448
44 HD2 PRO 6 2HD PRO 6 14.761 -1.830 -6.450
45 HD3 PRO 6 3HD PRO 6 13.845 -2.994 -5.471
46 H ALA 7 H ALA 7 17.269 -1.201 -1.514
47 HA ALA 7 HA ALA 7 18.344 1.247 -2.727
48 HB1 ALA 7 1HB ALA 7 18.014 1.947 -0.621
49 HB2 ALA 7 2HB ALA 7 17.988 0.307 0.028
50 HB3 ALA 7 3HB ALA 7 19.528 1.107 -0.287
51 HA PRO 8 HA PRO 8 22.210 -0.548 -3.770
52 HB2 PRO 8 2HB PRO 8 23.963 1.416 -3.107
53 HB3 PRO 8 3HB PRO 8 22.872 1.530 -4.492
54 HG2 PRO 8 2HG PRO 8 22.592 2.715 -1.758
55 HG3 PRO 8 3HG PRO 8 22.262 3.453 -3.336
56 HD2 PRO 8 2HD PRO 8 20.301 2.466 -1.751
57 HD3 PRO 8 3HD PRO 8 20.203 2.433 -3.523
58 HA PRO 9 HA PRO 9 24.257 -2.406 -0.351
59 HB2 PRO 9 2HB PRO 9 26.830 -2.562 -1.203
60 HB3 PRO 9 3HB PRO 9 25.537 -3.572 -1.861
61 HG2 PRO 9 2HG PRO 9 26.737 -1.067 -2.976
62 HG3 PRO 9 3HG PRO 9 26.301 -2.567 -3.814
63 HD2 PRO 9 2HD PRO 9 24.734 -0.359 -3.869
64 HD3 PRO 9 3HD PRO 9 24.068 -2.004 -3.925
65 H GLN 10 H GLN 10 25.801 -2.104 1.366
66 HA GLN 10 HA GLN 10 26.118 0.655 2.079
67 HB2 GLN 10 2HB GLN 10 27.060 -0.212 4.169
68 HB3 GLN 10 3HB GLN 10 25.546 -1.013 3.769
69 HG2 GLN 10 2HG GLN 10 26.578 -2.947 4.040
70 HG3 GLN 10 3HG GLN 10 27.530 -2.582 2.601
71 HE21 GLN 10 1HE2 GLN 10 29.633 -2.679 2.863
72 HE22 GLN 10 2HE2 GLN 10 30.492 -2.439 4.342
73 H GLN 11 H GLN 11 28.323 1.266 3.142
74 HA GLN 11 HA GLN 11 30.498 0.457 1.329
75 HB2 GLN 11 2HB GLN 11 29.490 3.159 2.022
76 HB3 GLN 11 3HB GLN 11 31.236 2.971 1.930
77 HG2 GLN 11 2HG GLN 11 30.947 2.019 -0.350
78 HG3 GLN 11 3HG GLN 11 29.233 2.415 -0.242
79 HE21 GLN 11 1HE2 GLN 11 28.663 4.664 0.033
80 HE22 GLN 11 2HE2 GLN 11 29.685 5.888 -0.632
81 HA PRO 12 HA PRO 12 33.037 -0.237 4.837
82 HB2 PRO 12 2HB PRO 12 35.453 0.678 4.005
83 HB3 PRO 12 3HB PRO 12 34.724 -0.808 3.386
84 HG2 PRO 12 2HG PRO 12 34.779 1.925 2.166
85 HG3 PRO 12 3HG PRO 12 35.037 0.349 1.394
86 HD2 PRO 12 2HD PRO 12 32.686 1.683 1.233
87 HD3 PRO 12 3HD PRO 12 32.779 -0.090 1.247
88 H TYR 13 H TYR 13 33.859 0.726 6.674
89 HA TYR 13 HA TYR 13 33.805 3.673 6.717
90 HB2 TYR 13 2HB TYR 13 32.863 1.648 8.726
91 HB3 TYR 13 3HB TYR 13 33.312 3.272 9.236
92 HD1 TYR 13 HD1 TYR 13 32.062 5.236 8.291
93 HD2 TYR 13 HD2 TYR 13 30.777 1.223 7.695
94 HE1 TYR 13 HE1 TYR 13 29.822 6.050 7.684
95 HE2 TYR 13 HE2 TYR 13 28.534 2.026 7.086
96 HH TYR 13 HH TYR 13 27.861 5.185 6.303
Start of MODEL 29
1 H1 LEU 1 H LEU 1 2.133 3.852 2.188
2 HA LEU 1 HA LEU 1 4.187 3.358 0.485
3 HB2 LEU 1 2HB LEU 1 3.958 3.428 3.155
4 HB3 LEU 1 3HB LEU 1 4.184 1.694 2.931
5 HG LEU 1 HG LEU 1 6.194 2.878 1.404
6 HD11 LEU 1 1HD1 LEU 1 5.967 4.243 4.082
7 HD12 LEU 1 2HD1 LEU 1 5.761 5.012 2.509
8 HD13 LEU 1 3HD1 LEU 1 7.331 4.357 2.971
9 HD21 LEU 1 1HD2 LEU 1 6.703 1.982 4.199
10 HD22 LEU 1 2HD2 LEU 1 7.588 1.618 2.718
11 HD23 LEU 1 3HD2 LEU 1 6.042 0.830 3.038
12 H GLY 2 H GLY 2 5.469 1.147 0.484
13 HA2 GLY 2 2HA GLY 2 5.244 -1.263 0.315
14 HA3 GLY 2 3HA GLY 2 3.584 -1.016 -0.207
15 H GLN 3 H GLN 3 6.189 0.958 -1.420
16 HA GLN 3 HA GLN 3 6.433 -0.616 -3.850
17 HB2 GLN 3 2HB GLN 3 4.489 0.764 -4.332
18 HB3 GLN 3 3HB GLN 3 5.366 2.212 -3.857
19 HG2 GLN 3 2HG GLN 3 6.695 2.187 -5.756
20 HG3 GLN 3 3HG GLN 3 6.375 0.484 -6.076
21 HE21 GLN 3 1HE2 GLN 3 4.353 -0.110 -6.953
22 HE22 GLN 3 2HE2 GLN 3 3.389 1.031 -7.822
23 H GLN 4 H GLN 4 8.602 -0.836 -3.187
24 HA GLN 4 HA GLN 4 10.249 1.479 -3.861
25 HB2 GLN 4 2HB GLN 4 9.842 0.687 -1.209
26 HB3 GLN 4 3HB GLN 4 11.421 0.043 -1.637
27 HG2 GLN 4 2HG GLN 4 11.857 2.431 -2.554
28 HG3 GLN 4 3HG GLN 4 10.506 2.878 -1.514
29 HE21 GLN 4 1HE2 GLN 4 13.276 3.673 -1.313
30 HE22 GLN 4 2HE2 GLN 4 13.830 3.146 0.236
31 H GLN 5 H GLN 5 12.276 0.972 -4.695
32 HA GLN 5 HA GLN 5 12.530 -1.783 -5.621
33 HB2 GLN 5 2HB GLN 5 13.330 0.845 -6.614
34 HB3 GLN 5 3HB GLN 5 14.611 -0.353 -6.746
35 HG2 GLN 5 2HG GLN 5 13.658 -0.959 -8.654
36 HG3 GLN 5 3HG GLN 5 12.399 -1.701 -7.667
37 HE21 GLN 5 1HE2 GLN 5 13.031 0.473 -10.098
38 HE22 GLN 5 2HE2 GLN 5 11.530 1.327 -10.097
39 HA PRO 6 HA PRO 6 15.895 -2.909 -3.044
40 HB2 PRO 6 2HB PRO 6 17.496 -4.299 -4.739
41 HB3 PRO 6 3HB PRO 6 15.950 -4.921 -4.152
42 HG2 PRO 6 2HG PRO 6 16.595 -3.613 -6.766
43 HG3 PRO 6 3HG PRO 6 15.588 -5.037 -6.446
44 HD2 PRO 6 2HD PRO 6 14.538 -2.583 -6.898
45 HD3 PRO 6 3HD PRO 6 13.769 -3.767 -5.822
46 H ALA 7 H ALA 7 17.015 -1.118 -2.401
47 HA ALA 7 HA ALA 7 18.526 0.586 -4.011
48 HB1 ALA 7 1HB ALA 7 18.160 0.137 -1.159
49 HB2 ALA 7 2HB ALA 7 19.779 0.706 -1.565
50 HB3 ALA 7 3HB ALA 7 18.367 1.644 -2.053
51 HA PRO 8 HA PRO 8 22.310 -1.460 -4.875
52 HB2 PRO 8 2HB PRO 8 24.132 0.529 -4.574
53 HB3 PRO 8 3HB PRO 8 22.999 0.462 -5.929
54 HG2 PRO 8 2HG PRO 8 22.839 2.060 -3.403
55 HG3 PRO 8 3HG PRO 8 22.475 2.556 -5.066
56 HD2 PRO 8 2HD PRO 8 20.544 1.882 -3.292
57 HD3 PRO 8 3HD PRO 8 20.387 1.581 -5.034
58 HA PRO 9 HA PRO 9 24.422 -2.831 -1.270
59 HB2 PRO 9 2HB PRO 9 26.961 -3.192 -2.161
60 HB3 PRO 9 3HB PRO 9 25.623 -4.252 -2.618
61 HG2 PRO 9 2HG PRO 9 26.847 -1.984 -4.141
62 HG3 PRO 9 3HG PRO 9 26.347 -3.582 -4.724
63 HD2 PRO 9 2HD PRO 9 24.834 -1.364 -5.075
64 HD3 PRO 9 3HD PRO 9 24.126 -2.977 -4.857
65 H GLN 10 H GLN 10 24.842 -1.592 0.441
66 HA GLN 10 HA GLN 10 26.556 0.765 0.119
67 HB2 GLN 10 2HB GLN 10 24.181 0.205 1.639
68 HB3 GLN 10 3HB GLN 10 25.474 0.696 2.724
69 HG2 GLN 10 2HG GLN 10 25.796 2.613 0.966
70 HG3 GLN 10 3HG GLN 10 24.122 2.231 0.567
71 HE21 GLN 10 1HE2 GLN 10 22.585 3.152 1.733
72 HE22 GLN 10 2HE2 GLN 10 22.809 3.948 3.249
73 H GLN 11 H GLN 11 28.243 1.204 1.605
74 HA GLN 11 HA GLN 11 29.254 -1.186 3.002
75 HB2 GLN 11 2HB GLN 11 30.585 0.742 1.187
76 HB3 GLN 11 3HB GLN 11 31.512 0.221 2.588
77 HG2 GLN 11 2HG GLN 11 30.682 -2.163 1.749
78 HG3 GLN 11 3HG GLN 11 30.641 -1.305 0.210
79 HE21 GLN 11 1HE2 GLN 11 32.525 -3.091 2.249
80 HE22 GLN 11 2HE2 GLN 11 34.084 -2.654 1.648
81 HA PRO 12 HA PRO 12 29.523 1.088 6.742
82 HB2 PRO 12 2HB PRO 12 31.855 0.196 7.807
83 HB3 PRO 12 3HB PRO 12 30.397 -0.799 7.718
84 HG2 PRO 12 2HG PRO 12 32.790 -0.780 5.920
85 HG3 PRO 12 3HG PRO 12 31.890 -2.163 6.569
86 HD2 PRO 12 2HD PRO 12 31.537 -1.250 4.044
87 HD3 PRO 12 3HD PRO 12 30.222 -1.979 4.988
88 H TYR 13 H TYR 13 31.297 2.312 8.145
89 HA TYR 13 HA TYR 13 33.098 3.841 6.421
90 HB2 TYR 13 2HB TYR 13 31.044 5.143 6.436
91 HB3 TYR 13 3HB TYR 13 30.982 5.078 8.194
92 HD1 TYR 13 HD1 TYR 13 31.632 6.991 9.292
93 HD2 TYR 13 HD2 TYR 13 33.433 6.080 5.546
94 HE1 TYR 13 HE1 TYR 13 32.936 9.073 9.419
95 HE2 TYR 13 HE2 TYR 13 34.742 8.159 5.663
96 HH TYR 13 HH TYR 13 35.540 9.743 7.299
Start of MODEL 30
1 H1 LEU 1 H LEU 1 4.204 -2.229 -0.045
2 HA LEU 1 HA LEU 1 6.256 -1.427 -1.604
3 HB2 LEU 1 2HB LEU 1 4.131 -0.966 -3.153
4 HB3 LEU 1 3HB LEU 1 4.169 0.565 -2.281
5 HG LEU 1 HG LEU 1 6.574 0.788 -3.034
6 HD11 LEU 1 1HD1 LEU 1 5.835 -1.754 -4.328
7 HD12 LEU 1 2HD1 LEU 1 7.411 -1.154 -3.811
8 HD13 LEU 1 3HD1 LEU 1 6.713 -0.600 -5.333
9 HD21 LEU 1 1HD2 LEU 1 4.126 1.030 -4.647
10 HD22 LEU 1 2HD2 LEU 1 5.638 1.080 -5.554
11 HD23 LEU 1 3HD2 LEU 1 5.353 2.234 -4.250
12 H GLY 2 H GLY 2 7.097 0.769 -1.094
13 HA2 GLY 2 2HA GLY 2 6.094 2.658 0.560
14 HA3 GLY 2 3HA GLY 2 6.536 1.375 1.676
15 H GLN 3 H GLN 3 8.729 0.833 1.949
16 HA GLN 3 HA GLN 3 10.581 2.920 1.008
17 HB2 GLN 3 2HB GLN 3 10.682 1.247 3.523
18 HB3 GLN 3 3HB GLN 3 11.931 2.379 3.024
19 HG2 GLN 3 2HG GLN 3 10.193 4.181 3.086
20 HG3 GLN 3 3HG GLN 3 9.103 3.006 3.820
21 HE21 GLN 3 1HE2 GLN 3 12.418 4.211 4.223
22 HE22 GLN 3 2HE2 GLN 3 12.359 4.296 5.947
23 H GLN 4 H GLN 4 10.326 1.126 -0.852
24 HA GLN 4 HA GLN 4 12.806 -0.407 -0.705
25 HB2 GLN 4 2HB GLN 4 10.422 -1.688 -0.286
26 HB3 GLN 4 3HB GLN 4 10.632 -1.881 -2.021
27 HG2 GLN 4 2HG GLN 4 13.117 -2.498 -1.002
28 HG3 GLN 4 3HG GLN 4 12.000 -3.183 0.178
29 HE21 GLN 4 1HE2 GLN 4 12.042 -2.851 -3.358
30 HE22 GLN 4 2HE2 GLN 4 11.713 -4.514 -3.688
31 H GLN 5 H GLN 5 13.814 0.818 -2.228
32 HA GLN 5 HA GLN 5 12.523 1.003 -4.868
33 HB2 GLN 5 2HB GLN 5 14.223 2.874 -3.322
34 HB3 GLN 5 3HB GLN 5 14.514 2.807 -5.055
35 HG2 GLN 5 2HG GLN 5 12.955 4.461 -4.966
36 HG3 GLN 5 3HG GLN 5 11.910 3.059 -5.184
37 HE21 GLN 5 1HE2 GLN 5 13.521 4.704 -2.478
38 HE22 GLN 5 2HE2 GLN 5 12.130 4.748 -1.456
39 HA PRO 6 HA PRO 6 15.671 -1.414 -6.733
40 HB2 PRO 6 2HB PRO 6 16.080 -0.132 -9.090
41 HB3 PRO 6 3HB PRO 6 14.619 -1.065 -8.745
42 HG2 PRO 6 2HG PRO 6 15.054 1.894 -8.608
43 HG3 PRO 6 3HG PRO 6 13.672 0.995 -9.262
44 HD2 PRO 6 2HD PRO 6 13.635 2.142 -6.809
45 HD3 PRO 6 3HD PRO 6 12.752 0.647 -7.177
46 H ALA 7 H ALA 7 17.466 -1.144 -5.404
47 HA ALA 7 HA ALA 7 19.662 0.276 -6.554
48 HB1 ALA 7 1HB ALA 7 18.128 1.829 -4.907
49 HB2 ALA 7 2HB ALA 7 19.374 1.233 -3.810
50 HB3 ALA 7 3HB ALA 7 19.831 2.102 -5.275
51 HA PRO 8 HA PRO 8 21.985 -2.777 -4.424
52 HB2 PRO 8 2HB PRO 8 24.301 -1.471 -3.873
53 HB3 PRO 8 3HB PRO 8 23.848 -1.977 -5.505
54 HG2 PRO 8 2HG PRO 8 23.599 0.715 -4.220
55 HG3 PRO 8 3HG PRO 8 24.146 0.302 -5.856
56 HD2 PRO 8 2HD PRO 8 21.645 1.204 -5.339
57 HD3 PRO 8 3HD PRO 8 21.995 0.056 -6.648
58 HA PRO 9 HA PRO 9 21.712 -2.450 -0.048
59 HB2 PRO 9 2HB PRO 9 23.876 -3.854 0.796
60 HB3 PRO 9 3HB PRO 9 22.456 -4.620 0.075
61 HG2 PRO 9 2HG PRO 9 25.081 -3.930 -1.186
62 HG3 PRO 9 3HG PRO 9 24.111 -5.404 -1.358
63 HD2 PRO 9 2HD PRO 9 24.114 -3.437 -3.219
64 HD3 PRO 9 3HD PRO 9 22.685 -4.437 -2.890
65 H GLN 10 H GLN 10 22.059 -0.685 1.133
66 HA GLN 10 HA GLN 10 24.069 1.179 0.749
67 HB2 GLN 10 2HB GLN 10 21.906 0.787 2.578
68 HB3 GLN 10 3HB GLN 10 23.326 1.288 3.487
69 HG2 GLN 10 2HG GLN 10 22.374 3.306 2.979
70 HG3 GLN 10 3HG GLN 10 23.519 3.119 1.651
71 HE21 GLN 10 1HE2 GLN 10 21.425 4.832 1.403
72 HE22 GLN 10 2HE2 GLN 10 20.282 4.212 0.265
73 H GLN 11 H GLN 11 26.173 1.163 1.152
74 HA GLN 11 HA GLN 11 27.279 -0.907 2.881
75 HB2 GLN 11 2HB GLN 11 28.277 0.746 0.647
76 HB3 GLN 11 3HB GLN 11 29.448 0.404 1.913
77 HG2 GLN 11 2HG GLN 11 28.342 -2.052 1.495
78 HG3 GLN 11 3HG GLN 11 28.308 -1.352 -0.122
79 HE21 GLN 11 1HE2 GLN 11 30.120 -3.087 2.016
80 HE22 GLN 11 2HE2 GLN 11 31.686 -2.834 1.333
81 HA PRO 12 HA PRO 12 28.303 1.682 6.269
82 HB2 PRO 12 2HB PRO 12 30.766 0.785 6.973
83 HB3 PRO 12 3HB PRO 12 29.290 -0.147 7.249
84 HG2 PRO 12 2HG PRO 12 31.306 -0.400 5.051
85 HG3 PRO 12 3HG PRO 12 30.504 -1.676 5.985
86 HD2 PRO 12 2HD PRO 12 29.713 -0.980 3.490
87 HD3 PRO 12 3HD PRO 12 28.577 -1.560 4.725
88 H TYR 13 H TYR 13 30.314 2.965 7.198
89 HA TYR 13 HA TYR 13 31.594 4.833 6.969
90 HB2 TYR 13 2HB TYR 13 33.274 3.338 6.145
91 HB3 TYR 13 3HB TYR 13 32.512 3.259 4.561
92 HD1 TYR 13 HD1 TYR 13 32.788 5.055 2.954
93 HD2 TYR 13 HD2 TYR 13 34.595 5.277 6.800
94 HE1 TYR 13 HE1 TYR 13 34.206 6.907 2.175
95 HE2 TYR 13 HE2 TYR 13 36.017 7.131 6.031
96 HH TYR 13 HH TYR 13 36.341 8.641 4.382
Start of MODEL 31
1 H1 LEU 1 H LEU 1 3.814 5.506 0.007
2 HA LEU 1 HA LEU 1 5.326 3.854 0.396
3 HB2 LEU 1 2HB LEU 1 4.681 2.126 2.111
4 HB3 LEU 1 3HB LEU 1 4.618 3.806 2.638
5 HG LEU 1 HG LEU 1 2.050 2.902 1.649
6 HD11 LEU 1 1HD1 LEU 1 3.077 1.473 4.088
7 HD12 LEU 1 2HD1 LEU 1 3.006 0.734 2.489
8 HD13 LEU 1 3HD1 LEU 1 1.523 1.267 3.281
9 HD21 LEU 1 1HD2 LEU 1 1.339 4.308 3.233
10 HD22 LEU 1 2HD2 LEU 1 3.034 4.764 3.405
11 HD23 LEU 1 3HD2 LEU 1 2.334 3.552 4.478
12 H GLY 2 H GLY 2 5.422 3.008 -1.667
13 HA2 GLY 2 2HA GLY 2 4.712 0.304 -1.988
14 HA3 GLY 2 3HA GLY 2 3.534 1.296 -2.835
15 H GLN 3 H GLN 3 6.998 1.903 -2.451
16 HA GLN 3 HA GLN 3 7.458 1.238 -5.253
17 HB2 GLN 3 2HB GLN 3 8.496 3.394 -5.737
18 HB3 GLN 3 3HB GLN 3 6.811 3.605 -5.278
19 HG2 GLN 3 2HG GLN 3 7.950 3.911 -2.880
20 HG3 GLN 3 3HG GLN 3 9.277 4.460 -3.903
21 HE21 GLN 3 1HE2 GLN 3 6.469 5.348 -2.350
22 HE22 GLN 3 2HE2 GLN 3 6.184 6.852 -3.149
23 H GLN 4 H GLN 4 8.335 -0.155 -3.040
24 HA GLN 4 HA GLN 4 11.027 0.662 -2.389
25 HB2 GLN 4 2HB GLN 4 9.562 -0.492 -0.748
26 HB3 GLN 4 3HB GLN 4 9.605 -1.930 -1.759
27 HG2 GLN 4 2HG GLN 4 12.094 -1.937 -1.480
28 HG3 GLN 4 3HG GLN 4 11.893 -0.654 -0.287
29 HE21 GLN 4 1HE2 GLN 4 12.054 -1.417 1.685
30 HE22 GLN 4 2HE2 GLN 4 11.428 -2.922 2.256
31 H GLN 5 H GLN 5 12.516 0.482 -3.941
32 HA GLN 5 HA GLN 5 12.495 -1.910 -5.647
33 HB2 GLN 5 2HB GLN 5 13.258 0.903 -6.066
34 HB3 GLN 5 3HB GLN 5 14.366 -0.271 -6.762
35 HG2 GLN 5 2HG GLN 5 11.932 -1.246 -7.532
36 HG3 GLN 5 3HG GLN 5 11.679 0.498 -7.590
37 HE21 GLN 5 1HE2 GLN 5 13.894 1.560 -8.479
38 HE22 GLN 5 2HE2 GLN 5 14.355 0.931 -10.020
39 HA PRO 6 HA PRO 6 16.197 -3.517 -3.933
40 HB2 PRO 6 2HB PRO 6 17.516 -4.425 -6.125
41 HB3 PRO 6 3HB PRO 6 16.069 -5.210 -5.481
42 HG2 PRO 6 2HG PRO 6 16.328 -3.307 -7.777
43 HG3 PRO 6 3HG PRO 6 15.368 -4.794 -7.659
44 HD2 PRO 6 2HD PRO 6 14.283 -2.331 -7.357
45 HD3 PRO 6 3HD PRO 6 13.673 -3.756 -6.491
46 H ALA 7 H ALA 7 17.813 -2.375 -3.088
47 HA ALA 7 HA ALA 7 19.291 -0.511 -4.826
48 HB1 ALA 7 1HB ALA 7 18.953 1.021 -3.261
49 HB2 ALA 7 2HB ALA 7 18.100 -0.159 -2.265
50 HB3 ALA 7 3HB ALA 7 19.847 0.032 -2.107
51 HA PRO 8 HA PRO 8 23.057 -2.687 -4.251
52 HB2 PRO 8 2HB PRO 8 24.859 -0.675 -3.982
53 HB3 PRO 8 3HB PRO 8 24.077 -1.066 -5.519
54 HG2 PRO 8 2HG PRO 8 23.409 1.083 -3.545
55 HG3 PRO 8 3HG PRO 8 23.476 1.171 -5.315
56 HD2 PRO 8 2HD PRO 8 21.147 0.927 -3.956
57 HD3 PRO 8 3HD PRO 8 21.391 0.222 -5.567
58 HA PRO 9 HA PRO 9 24.179 -3.160 -0.025
59 HB2 PRO 9 2HB PRO 9 26.833 -3.710 -0.166
60 HB3 PRO 9 3HB PRO 9 25.587 -4.854 -0.678
61 HG2 PRO 9 2HG PRO 9 27.256 -3.004 -2.337
62 HG3 PRO 9 3HG PRO 9 26.824 -4.697 -2.641
63 HD2 PRO 9 2HD PRO 9 25.558 -2.630 -3.848
64 HD3 PRO 9 3HD PRO 9 24.733 -4.149 -3.444
65 H GLN 10 H GLN 10 25.643 -2.380 1.719
66 HA GLN 10 HA GLN 10 26.355 0.431 1.241
67 HB2 GLN 10 2HB GLN 10 24.785 -0.739 3.216
68 HB3 GLN 10 3HB GLN 10 26.308 -0.400 4.028
69 HG2 GLN 10 2HG GLN 10 26.153 1.906 3.577
70 HG3 GLN 10 3HG GLN 10 24.852 1.666 2.412
71 HE21 GLN 10 1HE2 GLN 10 23.322 2.909 3.354
72 HE22 GLN 10 2HE2 GLN 10 22.633 2.589 4.905
73 H GLN 11 H GLN 11 28.151 1.231 2.750
74 HA GLN 11 HA GLN 11 30.271 -0.785 3.014
75 HB2 GLN 11 2HB GLN 11 30.298 1.731 1.434
76 HB3 GLN 11 3HB GLN 11 31.761 1.327 2.323
77 HG2 GLN 11 2HG GLN 11 30.979 -1.029 1.034
78 HG3 GLN 11 3HG GLN 11 30.776 0.263 -0.148
79 HE21 GLN 11 1HE2 GLN 11 32.779 -2.003 0.348
80 HE22 GLN 11 2HE2 GLN 11 34.312 -1.230 0.158
81 HA PRO 12 HA PRO 12 31.125 0.935 6.956
82 HB2 PRO 12 2HB PRO 12 33.832 0.787 7.090
83 HB3 PRO 12 3HB PRO 12 32.787 -0.635 7.179
84 HG2 PRO 12 2HG PRO 12 34.309 0.453 4.842
85 HG3 PRO 12 3HG PRO 12 34.126 -1.229 5.373
86 HD2 PRO 12 2HD PRO 12 32.686 -0.179 3.334
87 HD3 PRO 12 3HD PRO 12 32.043 -1.438 4.408
88 H TYR 13 H TYR 13 30.894 3.012 7.474
89 HA TYR 13 HA TYR 13 32.324 5.060 5.969
90 HB2 TYR 13 2HB TYR 13 29.759 4.926 7.024
91 HB3 TYR 13 3HB TYR 13 30.602 6.016 8.118
92 HD1 TYR 13 HD1 TYR 13 28.623 5.937 5.301
93 HD2 TYR 13 HD2 TYR 13 32.190 7.758 6.739
94 HE1 TYR 13 HE1 TYR 13 28.331 7.770 3.687
95 HE2 TYR 13 HE2 TYR 13 31.907 9.597 5.130
96 HH TYR 13 HH TYR 13 29.119 9.700 2.929
Start of MODEL 32
1 H1 LEU 1 H LEU 1 -0.067 -2.350 -6.767
2 HA LEU 1 HA LEU 1 0.339 0.102 -5.198
3 HB2 LEU 1 2HB LEU 1 -1.562 -1.917 -4.669
4 HB3 LEU 1 3HB LEU 1 -0.283 -2.087 -3.468
5 HG LEU 1 HG LEU 1 -2.201 -0.684 -2.733
6 HD11 LEU 1 1HD1 LEU 1 0.160 1.120 -2.877
7 HD12 LEU 1 2HD1 LEU 1 0.333 -0.441 -2.076
8 HD13 LEU 1 3HD1 LEU 1 -0.872 0.713 -1.506
9 HD21 LEU 1 1HD2 LEU 1 -2.868 1.198 -3.797
10 HD22 LEU 1 2HD2 LEU 1 -2.207 0.359 -5.201
11 HD23 LEU 1 3HD2 LEU 1 -1.246 1.583 -4.371
12 H GLY 2 H GLY 2 1.896 -0.157 -3.426
13 HA2 GLY 2 2HA GLY 2 3.672 -1.338 -2.366
14 HA3 GLY 2 3HA GLY 2 3.715 -2.441 -3.733
15 H GLN 3 H GLN 3 5.048 0.348 -2.327
16 HA GLN 3 HA GLN 3 6.774 0.702 -4.679
17 HB2 GLN 3 2HB GLN 3 4.943 2.525 -4.260
18 HB3 GLN 3 3HB GLN 3 6.030 3.058 -2.985
19 HG2 GLN 3 2HG GLN 3 6.863 4.340 -4.630
20 HG3 GLN 3 3HG GLN 3 7.779 2.880 -5.001
21 HE21 GLN 3 1HE2 GLN 3 7.976 3.080 -7.156
22 HE22 GLN 3 2HE2 GLN 3 6.648 3.124 -8.261
23 H GLN 4 H GLN 4 8.200 -0.709 -3.464
24 HA GLN 4 HA GLN 4 9.281 0.241 -0.963
25 HB2 GLN 4 2HB GLN 4 10.718 -1.728 -1.068
26 HB3 GLN 4 3HB GLN 4 9.045 -2.165 -1.387
27 HG2 GLN 4 2HG GLN 4 9.594 -3.052 -3.334
28 HG3 GLN 4 3HG GLN 4 10.365 -1.554 -3.850
29 HE21 GLN 4 1HE2 GLN 4 12.589 -1.206 -3.127
30 HE22 GLN 4 2HE2 GLN 4 13.632 -2.573 -2.968
31 H GLN 5 H GLN 5 11.367 1.003 -0.602
32 HA GLN 5 HA GLN 5 13.263 1.344 -2.708
33 HB2 GLN 5 2HB GLN 5 11.530 3.136 -3.172
34 HB3 GLN 5 3HB GLN 5 12.020 3.884 -1.658
35 HG2 GLN 5 2HG GLN 5 14.307 3.307 -3.314
36 HG3 GLN 5 3HG GLN 5 13.124 4.292 -4.175
37 HE21 GLN 5 1HE2 GLN 5 15.808 4.499 -2.412
38 HE22 GLN 5 2HE2 GLN 5 15.581 6.036 -1.658
39 HA PRO 6 HA PRO 6 14.820 1.385 1.683
40 HB2 PRO 6 2HB PRO 6 16.567 -0.664 1.341
41 HB3 PRO 6 3HB PRO 6 14.875 -0.909 1.790
42 HG2 PRO 6 2HG PRO 6 16.174 -1.134 -0.898
43 HG3 PRO 6 3HG PRO 6 14.973 -2.198 -0.143
44 HD2 PRO 6 2HD PRO 6 14.312 -0.341 -2.000
45 HD3 PRO 6 3HD PRO 6 13.217 -0.807 -0.683
46 H ALA 7 H ALA 7 17.330 1.183 2.246
47 HA ALA 7 HA ALA 7 18.609 3.258 0.701
48 HB1 ALA 7 1HB ALA 7 18.882 2.128 3.350
49 HB2 ALA 7 2HB ALA 7 20.448 2.353 2.569
50 HB3 ALA 7 3HB ALA 7 19.347 3.720 2.748
51 HA PRO 8 HA PRO 8 21.290 0.851 -1.803
52 HB2 PRO 8 2HB PRO 8 23.603 2.269 -1.713
53 HB3 PRO 8 3HB PRO 8 22.171 2.822 -2.589
54 HG2 PRO 8 2HG PRO 8 23.156 3.616 0.124
55 HG3 PRO 8 3HG PRO 8 22.505 4.636 -1.172
56 HD2 PRO 8 2HD PRO 8 21.023 3.866 0.960
57 HD3 PRO 8 3HD PRO 8 20.320 4.122 -0.650
58 HA PRO 9 HA PRO 9 23.839 -1.896 0.498
59 HB2 PRO 9 2HB PRO 9 25.834 -2.472 -1.251
60 HB3 PRO 9 3HB PRO 9 24.182 -3.070 -1.447
61 HG2 PRO 9 2HG PRO 9 25.524 -0.743 -2.769
62 HG3 PRO 9 3HG PRO 9 24.460 -1.971 -3.478
63 HD2 PRO 9 2HD PRO 9 23.587 0.505 -2.814
64 HD3 PRO 9 3HD PRO 9 22.547 -0.931 -2.723
65 H GLN 10 H GLN 10 25.660 -2.017 1.795
66 HA GLN 10 HA GLN 10 27.055 0.454 2.230
67 HB2 GLN 10 2HB GLN 10 26.985 -2.218 3.570
68 HB3 GLN 10 3HB GLN 10 28.309 -1.118 3.929
69 HG2 GLN 10 2HG GLN 10 27.020 -0.126 5.421
70 HG3 GLN 10 3HG GLN 10 25.972 0.412 4.109
71 HE21 GLN 10 1HE2 GLN 10 24.001 -0.494 3.860
72 HE22 GLN 10 2HE2 GLN 10 23.351 -1.706 4.905
73 H GLN 11 H GLN 11 29.361 0.704 2.252
74 HA GLN 11 HA GLN 11 31.081 -1.237 1.067
75 HB2 GLN 11 2HB GLN 11 29.734 -0.224 -0.884
76 HB3 GLN 11 3HB GLN 11 30.685 1.229 -0.608
77 HG2 GLN 11 2HG GLN 11 31.865 0.156 -2.270
78 HG3 GLN 11 3HG GLN 11 32.721 -0.336 -0.810
79 HE21 GLN 11 1HE2 GLN 11 33.304 -2.373 -0.885
80 HE22 GLN 11 2HE2 GLN 11 32.402 -3.673 -1.578
81 HA PRO 12 HA PRO 12 32.980 2.105 3.711
82 HB2 PRO 12 2HB PRO 12 34.109 0.400 5.496
83 HB3 PRO 12 3HB PRO 12 32.459 1.011 5.663
84 HG2 PRO 12 2HG PRO 12 33.405 -1.621 4.595
85 HG3 PRO 12 3HG PRO 12 32.047 -1.278 5.682
86 HD2 PRO 12 2HD PRO 12 31.713 -1.734 3.034
87 HD3 PRO 12 3HD PRO 12 30.661 -0.640 3.955
88 H TYR 13 H TYR 13 35.389 1.991 4.560
89 HA TYR 13 HA TYR 13 37.110 0.470 2.766
90 HB2 TYR 13 2HB TYR 13 38.388 2.573 2.196
91 HB3 TYR 13 3HB TYR 13 36.800 2.435 1.449
92 HD1 TYR 13 HD1 TYR 13 38.835 4.256 3.876
93 HD2 TYR 13 HD2 TYR 13 34.963 3.881 2.153
94 HE1 TYR 13 HE1 TYR 13 38.219 6.452 4.798
95 HE2 TYR 13 HE2 TYR 13 34.337 6.076 3.069
96 HH TYR 13 HH TYR 13 35.678 7.532 5.435
Start of MODEL 33
1 H1 LEU 1 H LEU 1 2.409 -4.425 0.742
2 HA LEU 1 HA LEU 1 3.208 -3.531 -1.308
3 HB2 LEU 1 2HB LEU 1 2.062 -1.902 0.513
4 HB3 LEU 1 3HB LEU 1 3.584 -1.054 0.246
5 HG LEU 1 HG LEU 1 2.855 -1.392 -2.299
6 HD11 LEU 1 1HD1 LEU 1 0.254 -1.258 -0.780
7 HD12 LEU 1 2HD1 LEU 1 0.811 -2.597 -1.783
8 HD13 LEU 1 3HD1 LEU 1 0.440 -1.038 -2.520
9 HD21 LEU 1 1HD2 LEU 1 3.165 0.702 -0.656
10 HD22 LEU 1 2HD2 LEU 1 1.431 0.819 -0.953
11 HD23 LEU 1 3HD2 LEU 1 2.562 0.850 -2.306
12 H GLY 2 H GLY 2 4.833 -2.101 -2.375
13 HA2 GLY 2 2HA GLY 2 7.228 -1.282 -1.252
14 HA3 GLY 2 3HA GLY 2 7.459 -2.964 -1.704
15 H GLN 3 H GLN 3 7.534 0.235 -2.763
16 HA GLN 3 HA GLN 3 7.554 -0.608 -5.583
17 HB2 GLN 3 2HB GLN 3 5.996 1.297 -4.597
18 HB3 GLN 3 3HB GLN 3 7.444 2.271 -4.812
19 HG2 GLN 3 2HG GLN 3 7.476 1.870 -7.146
20 HG3 GLN 3 3HG GLN 3 6.237 0.622 -7.013
21 HE21 GLN 3 1HE2 GLN 3 5.018 1.761 -8.579
22 HE22 GLN 3 2HE2 GLN 3 4.106 3.162 -8.146
23 H GLN 4 H GLN 4 9.799 -1.321 -4.443
24 HA GLN 4 HA GLN 4 12.064 -1.104 -4.423
25 HB2 GLN 4 2HB GLN 4 11.609 -0.812 -6.853
26 HB3 GLN 4 3HB GLN 4 11.557 0.928 -6.602
27 HG2 GLN 4 2HG GLN 4 13.722 0.928 -7.073
28 HG3 GLN 4 3HG GLN 4 13.964 0.202 -5.485
29 HE21 GLN 4 1HE2 GLN 4 13.125 -0.726 -8.804
30 HE22 GLN 4 2HE2 GLN 4 14.067 -2.174 -8.820
31 H GLN 5 H GLN 5 12.096 -0.180 -2.321
32 HA GLN 5 HA GLN 5 12.039 2.671 -1.978
33 HB2 GLN 5 2HB GLN 5 12.317 0.299 -0.237
34 HB3 GLN 5 3HB GLN 5 13.105 1.762 0.339
35 HG2 GLN 5 2HG GLN 5 11.154 2.383 1.171
36 HG3 GLN 5 3HG GLN 5 10.590 2.600 -0.485
37 HE21 GLN 5 1HE2 GLN 5 10.385 0.727 2.370
38 HE22 GLN 5 2HE2 GLN 5 9.186 -0.390 1.824
39 HA PRO 6 HA PRO 6 16.266 3.704 -2.519
40 HB2 PRO 6 2HB PRO 6 16.701 5.477 -0.510
41 HB3 PRO 6 3HB PRO 6 15.719 5.856 -1.930
42 HG2 PRO 6 2HG PRO 6 14.845 5.024 0.809
43 HG3 PRO 6 3HG PRO 6 14.175 6.284 -0.245
44 HD2 PRO 6 2HD PRO 6 13.040 3.838 0.006
45 HD3 PRO 6 3HD PRO 6 12.978 4.769 -1.505
46 H ALA 7 H ALA 7 17.924 2.386 -2.137
47 HA ALA 7 HA ALA 7 19.094 2.138 0.448
48 HB1 ALA 7 1HB ALA 7 17.495 -0.162 -0.623
49 HB2 ALA 7 2HB ALA 7 18.858 -0.417 0.467
50 HB3 ALA 7 3HB ALA 7 17.478 0.546 0.992
51 HA PRO 8 HA PRO 8 21.847 1.515 -3.246
52 HB2 PRO 8 2HB PRO 8 23.666 3.387 -2.501
53 HB3 PRO 8 3HB PRO 8 22.223 3.773 -3.445
54 HG2 PRO 8 2HG PRO 8 22.704 4.085 -0.507
55 HG3 PRO 8 3HG PRO 8 21.919 5.203 -1.637
56 HD2 PRO 8 2HD PRO 8 20.517 3.592 0.027
57 HD3 PRO 8 3HD PRO 8 19.919 4.059 -1.578
58 HA PRO 9 HA PRO 9 24.829 -1.009 -1.230
59 HB2 PRO 9 2HB PRO 9 27.056 -0.628 -2.735
60 HB3 PRO 9 3HB PRO 9 25.655 -1.543 -3.306
61 HG2 PRO 9 2HG PRO 9 26.425 1.294 -3.874
62 HG3 PRO 9 3HG PRO 9 25.805 0.058 -4.986
63 HD2 PRO 9 2HD PRO 9 24.233 2.002 -3.946
64 HD3 PRO 9 3HD PRO 9 23.621 0.380 -4.325
65 H GLN 10 H GLN 10 25.208 -0.173 0.793
66 HA GLN 10 HA GLN 10 27.446 1.730 1.011
67 HB2 GLN 10 2HB GLN 10 26.378 2.484 3.158
68 HB3 GLN 10 3HB GLN 10 25.487 2.903 1.701
69 HG2 GLN 10 2HG GLN 10 23.690 1.849 2.434
70 HG3 GLN 10 3HG GLN 10 24.605 0.360 2.669
71 HE21 GLN 10 1HE2 GLN 10 23.911 3.481 4.175
72 HE22 GLN 10 2HE2 GLN 10 23.993 2.913 5.805
73 H GLN 11 H GLN 11 29.136 1.084 2.189
74 HA GLN 11 HA GLN 11 28.788 -0.999 4.207
75 HB2 GLN 11 2HB GLN 11 30.930 -2.082 3.255
76 HB3 GLN 11 3HB GLN 11 29.400 -2.403 2.449
77 HG2 GLN 11 2HG GLN 11 29.919 -0.763 0.746
78 HG3 GLN 11 3HG GLN 11 31.420 -0.351 1.573
79 HE21 GLN 11 1HE2 GLN 11 29.704 -2.995 -0.007
80 HE22 GLN 11 2HE2 GLN 11 31.116 -3.820 -0.563
81 HA PRO 12 HA PRO 12 31.707 1.314 6.524
82 HB2 PRO 12 2HB PRO 12 33.009 -0.638 7.890
83 HB3 PRO 12 3HB PRO 12 31.345 -0.160 8.249
84 HG2 PRO 12 2HG PRO 12 32.345 -2.483 6.648
85 HG3 PRO 12 3HG PRO 12 31.037 -2.429 7.844
86 HD2 PRO 12 2HD PRO 12 30.574 -2.388 5.176
87 HD3 PRO 12 3HD PRO 12 29.528 -1.548 6.340
88 H TYR 13 H TYR 13 33.617 2.240 6.106
89 HA TYR 13 HA TYR 13 35.585 0.709 4.536
90 HB2 TYR 13 2HB TYR 13 34.713 3.566 4.437
91 HB3 TYR 13 3HB TYR 13 36.370 3.173 3.994
92 HD1 TYR 13 HD1 TYR 13 32.948 3.231 2.920
93 HD2 TYR 13 HD2 TYR 13 36.749 1.490 2.133
94 HE1 TYR 13 HE1 TYR 13 32.190 2.612 0.663
95 HE2 TYR 13 HE2 TYR 13 36.003 0.867 -0.127
96 HH TYR 13 HH TYR 13 33.906 0.454 -1.323
Start of MODEL 34
1 H1 LEU 1 H LEU 1 15.905 -4.942 -1.710
2 HA LEU 1 HA LEU 1 13.647 -4.557 -1.538
3 HB2 LEU 1 2HB LEU 1 14.526 -3.287 0.666
4 HB3 LEU 1 3HB LEU 1 13.912 -1.913 -0.252
5 HG LEU 1 HG LEU 1 11.901 -3.875 -0.342
6 HD11 LEU 1 1HD1 LEU 1 13.022 -3.527 2.434
7 HD12 LEU 1 2HD1 LEU 1 12.953 -5.027 1.510
8 HD13 LEU 1 3HD1 LEU 1 11.462 -4.251 2.045
9 HD21 LEU 1 1HD2 LEU 1 10.701 -2.207 1.087
10 HD22 LEU 1 2HD2 LEU 1 11.443 -1.535 -0.366
11 HD23 LEU 1 3HD2 LEU 1 12.215 -1.309 1.204
12 H GLY 2 H GLY 2 12.021 -2.994 -2.427
13 HA2 GLY 2 2HA GLY 2 13.173 -0.939 -4.166
14 HA3 GLY 2 3HA GLY 2 12.305 -2.259 -4.936
15 H GLN 3 H GLN 3 10.128 -2.181 -5.059
16 HA GLN 3 HA GLN 3 8.053 -1.240 -5.075
17 HB2 GLN 3 2HB GLN 3 8.648 -1.883 -2.508
18 HB3 GLN 3 3HB GLN 3 8.306 -0.166 -2.337
19 HG2 GLN 3 2HG GLN 3 6.109 -0.435 -3.199
20 HG3 GLN 3 3HG GLN 3 6.439 -2.098 -3.683
21 HE21 GLN 3 1HE2 GLN 3 5.922 -3.665 -2.320
22 HE22 GLN 3 2HE2 GLN 3 5.502 -3.456 -0.657
23 H GLN 4 H GLN 4 10.269 0.437 -5.914
24 HA GLN 4 HA GLN 4 10.757 2.601 -6.437
25 HB2 GLN 4 2HB GLN 4 8.477 2.324 -7.445
26 HB3 GLN 4 3HB GLN 4 7.803 3.047 -5.990
27 HG2 GLN 4 2HG GLN 4 8.016 5.013 -6.980
28 HG3 GLN 4 3HG GLN 4 9.761 4.833 -6.805
29 HE21 GLN 4 1HE2 GLN 4 7.078 4.757 -8.960
30 HE22 GLN 4 2HE2 GLN 4 7.979 4.579 -10.423
31 H GLN 5 H GLN 5 11.634 2.282 -4.031
32 HA GLN 5 HA GLN 5 10.836 4.723 -2.619
33 HB2 GLN 5 2HB GLN 5 10.619 1.974 -1.630
34 HB3 GLN 5 3HB GLN 5 11.511 3.038 -0.551
35 HG2 GLN 5 2HG GLN 5 9.685 4.214 0.019
36 HG3 GLN 5 3HG GLN 5 8.996 4.135 -1.602
37 HE21 GLN 5 1HE2 GLN 5 9.485 2.328 1.372
38 HE22 GLN 5 2HE2 GLN 5 8.129 1.276 1.175
39 HA PRO 6 HA PRO 6 15.125 5.522 -2.178
40 HB2 PRO 6 2HB PRO 6 15.265 6.643 0.290
41 HB3 PRO 6 3HB PRO 6 14.557 7.471 -1.102
42 HG2 PRO 6 2HG PRO 6 13.195 6.000 1.121
43 HG3 PRO 6 3HG PRO 6 12.760 7.547 0.372
44 HD2 PRO 6 2HD PRO 6 11.518 5.224 -0.256
45 HD3 PRO 6 3HD PRO 6 11.749 6.532 -1.434
46 H ALA 7 H ALA 7 15.735 3.251 -2.146
47 HA ALA 7 HA ALA 7 16.935 2.520 0.413
48 HB1 ALA 7 1HB ALA 7 14.613 1.398 -0.007
49 HB2 ALA 7 2HB ALA 7 15.536 0.355 -1.090
50 HB3 ALA 7 3HB ALA 7 15.960 0.447 0.619
51 HA PRO 8 HA PRO 8 19.657 1.913 -3.331
52 HB2 PRO 8 2HB PRO 8 21.747 3.347 -2.357
53 HB3 PRO 8 3HB PRO 8 20.420 4.079 -3.267
54 HG2 PRO 8 2HG PRO 8 20.857 3.976 -0.307
55 HG3 PRO 8 3HG PRO 8 20.311 5.332 -1.311
56 HD2 PRO 8 2HD PRO 8 18.603 3.815 0.143
57 HD3 PRO 8 3HD PRO 8 18.144 4.553 -1.404
58 HA PRO 9 HA PRO 9 22.100 -1.297 -1.582
59 HB2 PRO 9 2HB PRO 9 24.404 -1.145 -3.009
60 HB3 PRO 9 3HB PRO 9 22.886 -1.734 -3.696
61 HG2 PRO 9 2HG PRO 9 24.147 0.971 -3.929
62 HG3 PRO 9 3HG PRO 9 23.360 -0.008 -5.181
63 HD2 PRO 9 2HD PRO 9 22.112 2.052 -3.943
64 HD3 PRO 9 3HD PRO 9 21.243 0.613 -4.512
65 H GLN 10 H GLN 10 23.482 -1.654 0.084
66 HA GLN 10 HA GLN 10 25.187 0.598 0.923
67 HB2 GLN 10 2HB GLN 10 23.319 -1.136 2.436
68 HB3 GLN 10 3HB GLN 10 24.833 -0.734 3.234
69 HG2 GLN 10 2HG GLN 10 24.253 1.699 2.596
70 HG3 GLN 10 3HG GLN 10 22.620 1.075 2.368
71 HE21 GLN 10 1HE2 GLN 10 22.413 -0.746 4.376
72 HE22 GLN 10 2HE2 GLN 10 22.508 0.047 5.908
73 H GLN 11 H GLN 11 27.292 0.199 0.953
74 HA GLN 11 HA GLN 11 28.198 -2.578 1.314
75 HB2 GLN 11 2HB GLN 11 30.137 -1.868 -0.236
76 HB3 GLN 11 3HB GLN 11 28.585 -2.261 -0.964
77 HG2 GLN 11 2HG GLN 11 28.175 -0.118 -1.594
78 HG3 GLN 11 3HG GLN 11 29.086 0.570 -0.250
79 HE21 GLN 11 1HE2 GLN 11 30.893 1.533 -0.800
80 HE22 GLN 11 2HE2 GLN 11 31.869 1.171 -2.179
81 HA PRO 12 HA PRO 12 30.933 -1.109 4.413
82 HB2 PRO 12 2HB PRO 12 33.094 -2.714 4.058
83 HB3 PRO 12 3HB PRO 12 31.568 -3.293 4.737
84 HG2 PRO 12 2HG PRO 12 32.613 -3.542 1.943
85 HG3 PRO 12 3HG PRO 12 31.795 -4.755 2.943
86 HD2 PRO 12 2HD PRO 12 30.514 -3.356 1.011
87 HD3 PRO 12 3HD PRO 12 29.703 -3.898 2.495
88 H TYR 13 H TYR 13 33.392 -0.547 4.713
89 HA TYR 13 HA TYR 13 33.978 1.497 2.765
90 HB2 TYR 13 2HB TYR 13 35.676 0.722 5.136
91 HB3 TYR 13 3HB TYR 13 35.632 2.269 4.298
92 HD1 TYR 13 HD1 TYR 13 33.279 3.470 4.324
93 HD2 TYR 13 HD2 TYR 13 34.509 0.509 7.120
94 HE1 TYR 13 HE1 TYR 13 31.605 4.296 5.926
95 HE2 TYR 13 HE2 TYR 13 32.838 1.325 8.729
96 HH TYR 13 HH TYR 13 31.248 4.276 8.388
Start of MODEL 35
1 H1 LEU 1 H LEU 1 8.652 -7.581 -1.535
2 HA LEU 1 HA LEU 1 7.527 -6.239 -3.574
3 HB2 LEU 1 2HB LEU 1 5.479 -5.218 -2.749
4 HB3 LEU 1 3HB LEU 1 5.329 -6.971 -2.841
5 HG LEU 1 HG LEU 1 6.158 -6.337 -0.210
6 HD11 LEU 1 1HD1 LEU 1 4.391 -4.877 0.555
7 HD12 LEU 1 2HD1 LEU 1 3.771 -4.718 -1.088
8 HD13 LEU 1 3HD1 LEU 1 5.352 -4.056 -0.675
9 HD21 LEU 1 1HD2 LEU 1 4.734 -8.230 -1.122
10 HD22 LEU 1 2HD2 LEU 1 3.386 -7.092 -1.099
11 HD23 LEU 1 3HD2 LEU 1 4.212 -7.513 0.403
12 H GLY 2 H GLY 2 6.855 -3.791 -2.795
13 HA2 GLY 2 2HA GLY 2 7.409 -2.073 -1.175
14 HA3 GLY 2 3HA GLY 2 8.826 -3.018 -0.740
15 H GLN 3 H GLN 3 7.828 -0.334 -2.349
16 HA GLN 3 HA GLN 3 10.380 -0.102 -3.717
17 HB2 GLN 3 2HB GLN 3 8.510 -1.059 -5.278
18 HB3 GLN 3 3HB GLN 3 7.937 0.603 -5.300
19 HG2 GLN 3 2HG GLN 3 9.618 1.307 -6.606
20 HG3 GLN 3 3HG GLN 3 10.805 0.268 -5.820
21 HE21 GLN 3 1HE2 GLN 3 11.653 -1.154 -7.142
22 HE22 GLN 3 2HE2 GLN 3 10.850 -1.943 -8.453
23 H GLN 4 H GLN 4 10.024 1.260 -1.558
24 HA GLN 4 HA GLN 4 8.845 3.860 -2.210
25 HB2 GLN 4 2HB GLN 4 8.168 2.917 -0.081
26 HB3 GLN 4 3HB GLN 4 9.847 2.723 0.405
27 HG2 GLN 4 2HG GLN 4 9.776 4.722 1.335
28 HG3 GLN 4 3HG GLN 4 9.524 5.432 -0.259
29 HE21 GLN 4 1HE2 GLN 4 7.876 4.066 2.533
30 HE22 GLN 4 2HE2 GLN 4 6.399 4.936 2.318
31 H GLN 5 H GLN 5 10.314 4.897 -3.480
32 HA GLN 5 HA GLN 5 12.157 6.116 -4.018
33 HB2 GLN 5 2HB GLN 5 12.001 6.218 -1.116
34 HB3 GLN 5 3HB GLN 5 13.658 6.358 -1.688
35 HG2 GLN 5 2HG GLN 5 13.293 8.496 -2.095
36 HG3 GLN 5 3HG GLN 5 12.129 8.031 -3.334
37 HE21 GLN 5 1HE2 GLN 5 12.267 8.185 0.212
38 HE22 GLN 5 2HE2 GLN 5 10.732 8.954 0.407
39 HA PRO 6 HA PRO 6 15.474 3.353 -4.787
40 HB2 PRO 6 2HB PRO 6 17.601 5.029 -4.983
41 HB3 PRO 6 3HB PRO 6 16.336 4.934 -6.214
42 HG2 PRO 6 2HG PRO 6 16.685 6.926 -4.008
43 HG3 PRO 6 3HG PRO 6 16.232 7.199 -5.700
44 HD2 PRO 6 2HD PRO 6 14.415 7.158 -3.693
45 HD3 PRO 6 3HD PRO 6 14.033 6.608 -5.337
46 H ALA 7 H ALA 7 16.212 1.973 -3.303
47 HA ALA 7 HA ALA 7 17.859 3.034 -1.103
48 HB1 ALA 7 1HB ALA 7 15.955 2.440 0.060
49 HB2 ALA 7 2HB ALA 7 15.611 1.069 -0.995
50 HB3 ALA 7 3HB ALA 7 16.926 0.972 0.176
51 HA PRO 8 HA PRO 8 20.164 -0.169 -3.587
52 HB2 PRO 8 2HB PRO 8 22.418 1.317 -3.872
53 HB3 PRO 8 3HB PRO 8 21.055 1.415 -4.993
54 HG2 PRO 8 2HG PRO 8 21.770 3.223 -2.717
55 HG3 PRO 8 3HG PRO 8 21.209 3.643 -4.347
56 HD2 PRO 8 2HD PRO 8 19.564 3.640 -2.196
57 HD3 PRO 8 3HD PRO 8 19.001 3.232 -3.830
58 HA PRO 9 HA PRO 9 22.571 -1.697 -0.240
59 HB2 PRO 9 2HB PRO 9 24.732 -2.763 -1.491
60 HB3 PRO 9 3HB PRO 9 23.122 -3.490 -1.567
61 HG2 PRO 9 2HG PRO 9 24.511 -1.750 -3.568
62 HG3 PRO 9 3HG PRO 9 23.550 -3.216 -3.836
63 HD2 PRO 9 2HD PRO 9 22.552 -0.729 -4.223
64 HD3 PRO 9 3HD PRO 9 21.548 -2.086 -3.672
65 H GLN 10 H GLN 10 23.783 -0.688 1.227
66 HA GLN 10 HA GLN 10 25.716 1.321 0.326
67 HB2 GLN 10 2HB GLN 10 25.647 2.061 2.730
68 HB3 GLN 10 3HB GLN 10 24.128 2.219 1.858
69 HG2 GLN 10 2HG GLN 10 23.073 0.880 3.275
70 HG3 GLN 10 3HG GLN 10 24.334 -0.347 3.165
71 HE21 GLN 10 1HE2 GLN 10 24.441 2.992 4.329
72 HE22 GLN 10 2HE2 GLN 10 24.979 2.605 5.924
73 H GLN 11 H GLN 11 27.849 1.093 0.614
74 HA GLN 11 HA GLN 11 28.839 -0.911 2.501
75 HB2 GLN 11 2HB GLN 11 28.654 -1.959 0.234
76 HB3 GLN 11 3HB GLN 11 29.800 -0.764 -0.359
77 HG2 GLN 11 2HG GLN 11 31.547 -1.638 0.954
78 HG3 GLN 11 3HG GLN 11 30.437 -2.612 1.917
79 HE21 GLN 11 1HE2 GLN 11 31.636 -4.475 1.457
80 HE22 GLN 11 2HE2 GLN 11 31.546 -5.255 -0.081
81 HA PRO 12 HA PRO 12 31.160 3.125 2.586
82 HB2 PRO 12 2HB PRO 12 31.004 3.439 5.278
83 HB3 PRO 12 3HB PRO 12 29.752 4.013 4.170
84 HG2 PRO 12 2HG PRO 12 29.822 1.516 5.820
85 HG3 PRO 12 3HG PRO 12 28.477 2.639 5.546
86 HD2 PRO 12 2HD PRO 12 28.701 0.285 4.225
87 HD3 PRO 12 3HD PRO 12 27.968 1.726 3.491
88 H TYR 13 H TYR 13 33.232 2.561 2.257
89 HA TYR 13 HA TYR 13 34.923 1.867 4.390
90 HB2 TYR 13 2HB TYR 13 33.594 -0.355 3.492
91 HB3 TYR 13 3HB TYR 13 35.073 -0.411 2.539
92 HD1 TYR 13 HD1 TYR 13 33.737 -0.363 5.987
93 HD2 TYR 13 HD2 TYR 13 37.145 -1.022 3.526
94 HE1 TYR 13 HE1 TYR 13 34.928 -1.333 7.907
95 HE2 TYR 13 HE2 TYR 13 38.345 -1.996 5.440
96 HH TYR 13 HH TYR 13 38.313 -2.334 7.654
Start of MODEL 36
1 H1 LEU 1 H LEU 1 16.913 4.312 1.687
2 HA LEU 1 HA LEU 1 15.539 2.030 2.354
3 HB2 LEU 1 2HB LEU 1 14.956 4.656 2.366
4 HB3 LEU 1 3HB LEU 1 13.946 4.129 1.021
5 HG LEU 1 HG LEU 1 13.450 2.309 3.094
6 HD11 LEU 1 1HD1 LEU 1 12.560 4.220 4.714
7 HD12 LEU 1 2HD1 LEU 1 13.988 5.047 4.090
8 HD13 LEU 1 3HD1 LEU 1 14.155 3.489 4.899
9 HD21 LEU 1 1HD2 LEU 1 11.244 3.633 3.146
10 HD22 LEU 1 2HD2 LEU 1 11.723 2.861 1.633
11 HD23 LEU 1 3HD2 LEU 1 11.961 4.596 1.853
12 H GLY 2 H GLY 2 13.303 1.553 1.070
13 HA2 GLY 2 2HA GLY 2 12.741 1.469 -1.471
14 HA3 GLY 2 3HA GLY 2 14.215 0.513 -1.520
15 H GLN 3 H GLN 3 10.858 0.554 -0.752
16 HA GLN 3 HA GLN 3 10.921 -2.092 0.454
17 HB2 GLN 3 2HB GLN 3 8.506 -1.791 0.744
18 HB3 GLN 3 3HB GLN 3 9.402 -0.423 1.390
19 HG2 GLN 3 2HG GLN 3 8.262 0.974 0.116
20 HG3 GLN 3 3HG GLN 3 8.747 0.099 -1.335
21 HE21 GLN 3 1HE2 GLN 3 6.245 0.693 0.938
22 HE22 GLN 3 2HE2 GLN 3 5.021 -0.255 0.173
23 H GLN 4 H GLN 4 10.512 -0.665 -2.624
24 HA GLN 4 HA GLN 4 10.391 -3.151 -3.949
25 HB2 GLN 4 2HB GLN 4 7.974 -2.693 -2.987
26 HB3 GLN 4 3HB GLN 4 7.850 -1.645 -4.395
27 HG2 GLN 4 2HG GLN 4 7.166 -3.464 -5.473
28 HG3 GLN 4 3HG GLN 4 8.863 -3.942 -5.473
29 HE21 GLN 4 1HE2 GLN 4 6.059 -4.028 -3.295
30 HE22 GLN 4 2HE2 GLN 4 6.324 -5.642 -2.741
31 H GLN 5 H GLN 5 12.148 -1.269 -4.376
32 HA GLN 5 HA GLN 5 11.569 -0.385 -7.071
33 HB2 GLN 5 2HB GLN 5 12.486 1.950 -6.458
34 HB3 GLN 5 3HB GLN 5 10.807 1.585 -6.082
35 HG2 GLN 5 2HG GLN 5 11.132 1.741 -3.872
36 HG3 GLN 5 3HG GLN 5 12.706 0.952 -3.943
37 HE21 GLN 5 1HE2 GLN 5 11.249 3.717 -3.120
38 HE22 GLN 5 2HE2 GLN 5 12.533 4.842 -3.387
39 HA PRO 6 HA PRO 6 15.826 -1.230 -7.705
40 HB2 PRO 6 2HB PRO 6 16.471 0.565 -9.636
41 HB3 PRO 6 3HB PRO 6 15.459 -0.851 -9.941
42 HG2 PRO 6 2HG PRO 6 14.646 1.989 -9.460
43 HG3 PRO 6 3HG PRO 6 14.023 0.834 -10.652
44 HD2 PRO 6 2HD PRO 6 12.729 1.379 -8.337
45 HD3 PRO 6 3HD PRO 6 12.669 -0.217 -9.111
46 H ALA 7 H ALA 7 17.225 -0.760 -6.116
47 HA ALA 7 HA ALA 7 18.324 1.945 -6.001
48 HB1 ALA 7 1HB ALA 7 17.024 2.351 -4.202
49 HB2 ALA 7 2HB ALA 7 16.784 0.639 -3.851
50 HB3 ALA 7 3HB ALA 7 18.278 1.438 -3.361
51 HA PRO 8 HA PRO 8 22.197 -0.054 -5.490
52 HB2 PRO 8 2HB PRO 8 23.504 1.627 -3.806
53 HB3 PRO 8 3HB PRO 8 23.165 2.030 -5.493
54 HG2 PRO 8 2HG PRO 8 21.701 2.858 -3.017
55 HG3 PRO 8 3HG PRO 8 22.142 3.830 -4.433
56 HD2 PRO 8 2HD PRO 8 19.652 2.829 -4.071
57 HD3 PRO 8 3HD PRO 8 20.370 3.044 -5.681
58 HA PRO 9 HA PRO 9 22.421 -2.541 -1.871
59 HB2 PRO 9 2HB PRO 9 25.095 -2.824 -1.500
60 HB3 PRO 9 3HB PRO 9 24.220 -3.609 -2.820
61 HG2 PRO 9 2HG PRO 9 25.855 -1.102 -2.859
62 HG3 PRO 9 3HG PRO 9 25.812 -2.428 -4.036
63 HD2 PRO 9 2HD PRO 9 24.495 -0.094 -4.422
64 HD3 PRO 9 3HD PRO 9 23.888 -1.646 -5.036
65 H GLN 10 H GLN 10 23.050 -2.627 0.378
66 HA GLN 10 HA GLN 10 22.981 -0.069 1.630
67 HB2 GLN 10 2HB GLN 10 23.129 -1.368 3.743
68 HB3 GLN 10 3HB GLN 10 21.852 -1.927 2.672
69 HG2 GLN 10 2HG GLN 10 22.668 -3.971 2.844
70 HG3 GLN 10 3HG GLN 10 24.117 -3.425 2.002
71 HE21 GLN 10 1HE2 GLN 10 23.256 -5.158 4.507
72 HE22 GLN 10 2HE2 GLN 10 24.502 -4.775 5.640
73 H GLN 11 H GLN 11 24.565 1.094 2.591
74 HA GLN 11 HA GLN 11 27.144 -0.005 3.187
75 HB2 GLN 11 2HB GLN 11 26.693 1.507 0.678
76 HB3 GLN 11 3HB GLN 11 28.121 1.945 1.607
77 HG2 GLN 11 2HG GLN 11 28.523 -0.640 1.632
78 HG3 GLN 11 3HG GLN 11 27.467 -0.605 0.221
79 HE21 GLN 11 1HE2 GLN 11 30.603 -0.191 1.365
80 HE22 GLN 11 2HE2 GLN 11 31.311 0.464 -0.068
81 HA PRO 12 HA PRO 12 25.783 3.684 5.659
82 HB2 PRO 12 2HB PRO 12 26.210 2.517 8.073
83 HB3 PRO 12 3HB PRO 12 24.692 2.354 7.183
84 HG2 PRO 12 2HG PRO 12 26.993 0.449 7.365
85 HG3 PRO 12 3HG PRO 12 25.254 0.112 7.438
86 HD2 PRO 12 2HD PRO 12 26.721 -0.279 5.196
87 HD3 PRO 12 3HD PRO 12 25.013 0.203 5.147
88 H TYR 13 H TYR 13 27.276 5.211 5.911
89 HA TYR 13 HA TYR 13 29.760 4.641 7.287
90 HB2 TYR 13 2HB TYR 13 30.074 4.187 4.769
91 HB3 TYR 13 3HB TYR 13 29.952 5.932 4.574
92 HD1 TYR 13 HD1 TYR 13 31.649 7.409 5.665
93 HD2 TYR 13 HD2 TYR 13 32.067 3.176 5.567
94 HE1 TYR 13 HE1 TYR 13 34.042 7.639 6.189
95 HE2 TYR 13 HE2 TYR 13 34.460 3.394 6.092
96 HH TYR 13 HH TYR 13 36.207 4.890 6.129
Start of MODEL 37
1 H1 LEU 1 H LEU 1 3.105 -0.751 -1.640
2 HA LEU 1 HA LEU 1 5.657 -0.713 -1.611
3 HB2 LEU 1 2HB LEU 1 6.449 0.121 -3.926
4 HB3 LEU 1 3HB LEU 1 6.198 -1.603 -3.663
5 HG LEU 1 HG LEU 1 3.952 -0.026 -4.809
6 HD11 LEU 1 1HD1 LEU 1 5.839 0.795 -6.088
7 HD12 LEU 1 2HD1 LEU 1 4.870 -0.304 -7.070
8 HD13 LEU 1 3HD1 LEU 1 6.393 -0.855 -6.373
9 HD21 LEU 1 1HD2 LEU 1 4.274 -2.633 -4.226
10 HD22 LEU 1 2HD2 LEU 1 4.834 -2.620 -5.899
11 HD23 LEU 1 3HD2 LEU 1 3.215 -2.041 -5.506
12 H GLY 2 H GLY 2 6.439 1.239 -1.010
13 HA2 GLY 2 2HA GLY 2 5.545 3.700 -2.167
14 HA3 GLY 2 3HA GLY 2 4.811 3.413 -0.596
15 H GLN 3 H GLN 3 6.520 2.672 1.106
16 HA GLN 3 HA GLN 3 8.671 4.661 1.000
17 HB2 GLN 3 2HB GLN 3 7.272 3.257 3.262
18 HB3 GLN 3 3HB GLN 3 8.802 4.088 3.510
19 HG2 GLN 3 2HG GLN 3 7.673 5.959 3.824
20 HG3 GLN 3 3HG GLN 3 7.181 5.898 2.132
21 HE21 GLN 3 1HE2 GLN 3 5.131 5.225 1.604
22 HE22 GLN 3 2HE2 GLN 3 3.882 5.009 2.777
23 H GLN 4 H GLN 4 9.340 2.644 -0.570
24 HA GLN 4 HA GLN 4 11.670 1.574 0.667
25 HB2 GLN 4 2HB GLN 4 9.849 0.023 1.484
26 HB3 GLN 4 3HB GLN 4 9.617 -0.465 -0.190
27 HG2 GLN 4 2HG GLN 4 11.825 -1.362 -0.308
28 HG3 GLN 4 3HG GLN 4 12.234 -0.697 1.272
29 HE21 GLN 4 1HE2 GLN 4 11.887 -3.488 -0.054
30 HE22 GLN 4 2HE2 GLN 4 11.042 -4.379 1.161
31 H GLN 5 H GLN 5 13.200 1.243 -0.835
32 HA GLN 5 HA GLN 5 12.422 0.658 -3.588
33 HB2 GLN 5 2HB GLN 5 13.635 3.184 -2.635
34 HB3 GLN 5 3HB GLN 5 14.340 2.490 -4.089
35 HG2 GLN 5 2HG GLN 5 12.246 2.566 -5.228
36 HG3 GLN 5 3HG GLN 5 11.401 3.026 -3.751
37 HE21 GLN 5 1HE2 GLN 5 10.640 4.778 -5.164
38 HE22 GLN 5 2HE2 GLN 5 11.606 6.203 -5.298
39 HA PRO 6 HA PRO 6 16.005 -1.869 -3.674
40 HB2 PRO 6 2HB PRO 6 16.885 -1.556 -6.223
41 HB3 PRO 6 3HB PRO 6 15.422 -2.461 -5.817
42 HG2 PRO 6 2HG PRO 6 15.696 0.351 -6.808
43 HG3 PRO 6 3HG PRO 6 14.536 -0.899 -7.294
44 HD2 PRO 6 2HD PRO 6 13.898 1.091 -5.571
45 HD3 PRO 6 3HD PRO 6 13.182 -0.529 -5.465
46 H ALA 7 H ALA 7 17.720 -1.274 -2.488
47 HA ALA 7 HA ALA 7 19.316 1.036 -3.357
48 HB1 ALA 7 1HB ALA 7 18.447 0.130 -0.800
49 HB2 ALA 7 2HB ALA 7 20.210 0.098 -0.845
50 HB3 ALA 7 3HB ALA 7 19.346 1.591 -1.211
51 HA PRO 8 HA PRO 8 22.775 -1.405 -4.512
52 HB2 PRO 8 2HB PRO 8 24.861 0.059 -3.579
53 HB3 PRO 8 3HB PRO 8 23.885 0.554 -4.967
54 HG2 PRO 8 2HG PRO 8 23.724 1.460 -2.118
55 HG3 PRO 8 3HG PRO 8 23.630 2.422 -3.605
56 HD2 PRO 8 2HD PRO 8 21.433 1.699 -2.196
57 HD3 PRO 8 3HD PRO 8 21.417 1.885 -3.961
58 HA PRO 9 HA PRO 9 24.227 -4.021 -1.290
59 HB2 PRO 9 2HB PRO 9 26.751 -4.619 -2.093
60 HB3 PRO 9 3HB PRO 9 25.311 -5.255 -2.897
61 HG2 PRO 9 2HG PRO 9 27.054 -2.950 -3.678
62 HG3 PRO 9 3HG PRO 9 26.359 -4.222 -4.698
63 HD2 PRO 9 2HD PRO 9 25.286 -1.742 -4.528
64 HD3 PRO 9 3HD PRO 9 24.299 -3.193 -4.795
65 H GLN 10 H GLN 10 26.133 -4.385 0.248
66 HA GLN 10 HA GLN 10 26.539 -2.120 1.804
67 HB2 GLN 10 2HB GLN 10 27.410 -4.881 1.818
68 HB3 GLN 10 3HB GLN 10 28.693 -3.813 2.371
69 HG2 GLN 10 2HG GLN 10 27.537 -3.150 4.227
70 HG3 GLN 10 3HG GLN 10 25.964 -3.453 3.490
71 HE21 GLN 10 1HE2 GLN 10 25.426 -5.751 3.106
72 HE22 GLN 10 2HE2 GLN 10 25.931 -6.909 4.285
73 H GLN 11 H GLN 11 28.400 -0.852 2.229
74 HA GLN 11 HA GLN 11 30.614 -0.963 0.357
75 HB2 GLN 11 2HB GLN 11 30.289 1.561 -0.080
76 HB3 GLN 11 3HB GLN 11 29.299 0.421 -0.982
77 HG2 GLN 11 2HG GLN 11 27.391 0.900 0.281
78 HG3 GLN 11 3HG GLN 11 28.325 1.684 1.553
79 HE21 GLN 11 1HE2 GLN 11 26.221 2.302 -0.793
80 HE22 GLN 11 2HE2 GLN 11 26.696 3.901 -1.244
81 HA PRO 12 HA PRO 12 32.923 0.537 3.772
82 HB2 PRO 12 2HB PRO 12 34.852 1.999 2.543
83 HB3 PRO 12 3HB PRO 12 34.808 0.233 2.494
84 HG2 PRO 12 2HG PRO 12 33.893 2.208 0.439
85 HG3 PRO 12 3HG PRO 12 34.802 0.702 0.216
86 HD2 PRO 12 2HD PRO 12 32.138 0.877 -0.237
87 HD3 PRO 12 3HD PRO 12 32.910 -0.608 0.357
88 H TYR 13 H TYR 13 32.152 2.007 5.148
89 HA TYR 13 HA TYR 13 31.652 4.737 4.170
90 HB2 TYR 13 2HB TYR 13 29.686 3.537 5.091
91 HB3 TYR 13 3HB TYR 13 30.526 3.382 6.630
92 HD1 TYR 13 HD1 TYR 13 30.636 5.206 8.165
93 HD2 TYR 13 HD2 TYR 13 28.970 5.774 4.291
94 HE1 TYR 13 HE1 TYR 13 29.751 7.390 8.872
95 HE2 TYR 13 HE2 TYR 13 28.082 7.960 4.987
96 HH TYR 13 HH TYR 13 28.370 9.082 8.322
Start of MODEL 38
1 H1 LEU 1 H LEU 1 1.562 1.855 -1.745
2 HA LEU 1 HA LEU 1 3.426 2.839 0.174
3 HB2 LEU 1 2HB LEU 1 3.232 0.558 -1.236
4 HB3 LEU 1 3HB LEU 1 4.431 1.410 -2.207
5 HG LEU 1 HG LEU 1 5.478 1.719 0.273
6 HD11 LEU 1 1HD1 LEU 1 3.752 -0.703 0.304
7 HD12 LEU 1 2HD1 LEU 1 4.146 0.424 1.602
8 HD13 LEU 1 3HD1 LEU 1 5.329 -0.778 1.090
9 HD21 LEU 1 1HD2 LEU 1 6.522 0.879 -1.858
10 HD22 LEU 1 2HD2 LEU 1 5.945 -0.729 -1.417
11 HD23 LEU 1 3HD2 LEU 1 7.097 0.111 -0.378
12 H GLY 2 H GLY 2 5.695 3.514 -0.621
13 HA2 GLY 2 2HA GLY 2 5.297 5.806 -2.409
14 HA3 GLY 2 3HA GLY 2 6.617 5.607 -1.266
15 H GLN 3 H GLN 3 8.524 4.923 -2.014
16 HA GLN 3 HA GLN 3 8.624 3.447 -4.538
17 HB2 GLN 3 2HB GLN 3 10.458 4.906 -5.354
18 HB3 GLN 3 3HB GLN 3 8.918 5.745 -5.218
19 HG2 GLN 3 2HG GLN 3 9.668 7.145 -3.633
20 HG3 GLN 3 3HG GLN 3 10.638 5.903 -2.844
21 HE21 GLN 3 1HE2 GLN 3 12.726 5.466 -3.638
22 HE22 GLN 3 2HE2 GLN 3 13.583 6.624 -4.590
23 H GLN 4 H GLN 4 8.970 2.300 -2.097
24 HA GLN 4 HA GLN 4 11.852 2.141 -1.626
25 HB2 GLN 4 2HB GLN 4 10.008 2.343 0.213
26 HB3 GLN 4 3HB GLN 4 9.804 0.617 -0.054
27 HG2 GLN 4 2HG GLN 4 11.292 1.043 1.811
28 HG3 GLN 4 3HG GLN 4 12.145 0.242 0.493
29 HE21 GLN 4 1HE2 GLN 4 11.835 3.112 2.381
30 HE22 GLN 4 2HE2 GLN 4 13.228 3.926 1.763
31 H GLN 5 H GLN 5 12.840 -0.002 -1.353
32 HA GLN 5 HA GLN 5 11.640 -2.368 -2.286
33 HB2 GLN 5 2HB GLN 5 13.086 -2.506 -4.421
34 HB3 GLN 5 3HB GLN 5 11.594 -1.577 -4.479
35 HG2 GLN 5 2HG GLN 5 12.839 0.486 -4.210
36 HG3 GLN 5 3HG GLN 5 14.344 -0.423 -4.079
37 HE21 GLN 5 1HE2 GLN 5 11.559 -0.094 -6.254
38 HE22 GLN 5 2HE2 GLN 5 12.477 -0.153 -7.716
39 HA PRO 6 HA PRO 6 15.236 -4.097 -0.463
40 HB2 PRO 6 2HB PRO 6 15.488 -6.430 -1.828
41 HB3 PRO 6 3HB PRO 6 14.211 -6.146 -0.639
42 HG2 PRO 6 2HG PRO 6 14.092 -5.975 -3.626
43 HG3 PRO 6 3HG PRO 6 12.922 -6.686 -2.498
44 HD2 PRO 6 2HD PRO 6 12.588 -4.230 -3.588
45 HD3 PRO 6 3HD PRO 6 12.006 -4.640 -1.962
46 H ALA 7 H ALA 7 17.117 -3.069 -0.828
47 HA ALA 7 HA ALA 7 18.439 -3.495 -3.429
48 HB1 ALA 7 1HB ALA 7 19.457 -1.247 -1.893
49 HB2 ALA 7 2HB ALA 7 18.930 -1.325 -3.575
50 HB3 ALA 7 3HB ALA 7 17.746 -1.082 -2.290
51 HA PRO 8 HA PRO 8 21.865 -5.374 -1.432
52 HB2 PRO 8 2HB PRO 8 23.971 -4.382 -2.829
53 HB3 PRO 8 3HB PRO 8 22.844 -5.566 -3.502
54 HG2 PRO 8 2HG PRO 8 22.926 -2.598 -3.884
55 HG3 PRO 8 3HG PRO 8 22.647 -3.873 -5.084
56 HD2 PRO 8 2HD PRO 8 20.631 -2.427 -4.000
57 HD3 PRO 8 3HD PRO 8 20.434 -4.121 -4.491
58 HA PRO 9 HA PRO 9 23.732 -2.818 1.620
59 HB2 PRO 9 2HB PRO 9 26.187 -3.936 1.921
60 HB3 PRO 9 3HB PRO 9 24.703 -4.710 2.488
61 HG2 PRO 9 2HG PRO 9 26.266 -5.215 -0.015
62 HG3 PRO 9 3HG PRO 9 25.526 -6.382 1.097
63 HD2 PRO 9 2HD PRO 9 24.374 -5.674 -1.249
64 HD3 PRO 9 3HD PRO 9 23.426 -6.108 0.188
65 H GLN 10 H GLN 10 24.191 -0.761 1.103
66 HA GLN 10 HA GLN 10 25.804 0.076 -1.031
67 HB2 GLN 10 2HB GLN 10 24.646 1.394 1.381
68 HB3 GLN 10 3HB GLN 10 25.884 2.255 0.477
69 HG2 GLN 10 2HG GLN 10 24.455 1.820 -1.581
70 HG3 GLN 10 3HG GLN 10 23.181 1.356 -0.455
71 HE21 GLN 10 1HE2 GLN 10 22.821 3.435 -2.190
72 HE22 GLN 10 2HE2 GLN 10 22.778 4.925 -1.317
73 H GLN 11 H GLN 11 27.790 1.454 -0.781
74 HA GLN 11 HA GLN 11 29.908 -0.034 0.217
75 HB2 GLN 11 2HB GLN 11 29.548 2.698 -0.831
76 HB3 GLN 11 3HB GLN 11 30.955 2.479 0.201
77 HG2 GLN 11 2HG GLN 11 31.825 0.774 -1.220
78 HG3 GLN 11 3HG GLN 11 30.341 0.739 -2.172
79 HE21 GLN 11 1HE2 GLN 11 33.352 1.513 -2.517
80 HE22 GLN 11 2HE2 GLN 11 33.255 2.945 -3.479
81 HA PRO 12 HA PRO 12 30.247 0.794 4.510
82 HB2 PRO 12 2HB PRO 12 32.929 1.051 4.850
83 HB3 PRO 12 3HB PRO 12 32.147 -0.498 4.514
84 HG2 PRO 12 2HG PRO 12 33.568 1.353 2.639
85 HG3 PRO 12 3HG PRO 12 33.658 -0.415 2.749
86 HD2 PRO 12 2HD PRO 12 32.159 0.854 0.885
87 HD3 PRO 12 3HD PRO 12 31.696 -0.714 1.577
88 H TYR 13 H TYR 13 31.518 2.311 6.110
89 HA TYR 13 HA TYR 13 31.964 4.972 5.025
90 HB2 TYR 13 2HB TYR 13 29.498 4.767 5.515
91 HB3 TYR 13 3HB TYR 13 29.919 4.554 7.210
92 HD1 TYR 13 HD1 TYR 13 31.272 6.432 8.329
93 HD2 TYR 13 HD2 TYR 13 29.227 6.910 4.629
94 HE1 TYR 13 HE1 TYR 13 31.308 8.873 8.632
95 HE2 TYR 13 HE2 TYR 13 29.258 9.352 4.921
96 HH TYR 13 HH TYR 13 30.699 10.839 7.809
Start of MODEL 39
1 H1 LEU 1 H LEU 1 5.449 2.560 -2.362
2 HA LEU 1 HA LEU 1 7.622 2.066 -2.993
3 HB2 LEU 1 2HB LEU 1 8.910 1.292 -1.059
4 HB3 LEU 1 3HB LEU 1 7.743 2.541 -0.629
5 HG LEU 1 HG LEU 1 6.309 0.324 -0.060
6 HD11 LEU 1 1HD1 LEU 1 8.098 -1.210 -0.604
7 HD12 LEU 1 2HD1 LEU 1 7.791 -1.236 1.132
8 HD13 LEU 1 3HD1 LEU 1 9.189 -0.370 0.498
9 HD21 LEU 1 1HD2 LEU 1 6.415 2.015 1.527
10 HD22 LEU 1 2HD2 LEU 1 8.178 1.987 1.586
11 HD23 LEU 1 3HD2 LEU 1 7.249 0.678 2.318
12 H GLY 2 H GLY 2 9.021 0.567 -3.871
13 HA2 GLY 2 2HA GLY 2 7.855 -2.051 -4.375
14 HA3 GLY 2 3HA GLY 2 9.265 -1.365 -5.169
15 H GLN 3 H GLN 3 11.294 -1.724 -4.336
16 HA GLN 3 HA GLN 3 11.413 -3.715 -2.175
17 HB2 GLN 3 2HB GLN 3 13.279 -3.139 -4.473
18 HB3 GLN 3 3HB GLN 3 13.716 -4.186 -3.130
19 HG2 GLN 3 2HG GLN 3 11.383 -5.303 -3.816
20 HG3 GLN 3 3HG GLN 3 11.872 -4.654 -5.381
21 HE21 GLN 3 1HE2 GLN 3 11.669 -7.429 -4.272
22 HE22 GLN 3 2HE2 GLN 3 13.208 -8.143 -4.600
23 H GLN 4 H GLN 4 11.198 -1.850 -0.684
24 HA GLN 4 HA GLN 4 12.069 -0.400 0.835
25 HB2 GLN 4 2HB GLN 4 13.615 -2.333 1.178
26 HB3 GLN 4 3HB GLN 4 14.729 -1.590 0.038
27 HG2 GLN 4 2HG GLN 4 15.528 -1.032 2.170
28 HG3 GLN 4 3HG GLN 4 14.745 0.424 1.557
29 HE21 GLN 4 1HE2 GLN 4 14.179 1.366 3.435
30 HE22 GLN 4 2HE2 GLN 4 13.092 0.674 4.587
31 H GLN 5 H GLN 5 11.407 1.208 -0.863
32 HA GLN 5 HA GLN 5 11.772 3.182 -1.931
33 HB2 GLN 5 2HB GLN 5 13.968 2.922 -0.043
34 HB3 GLN 5 3HB GLN 5 14.428 3.861 -1.457
35 HG2 GLN 5 2HG GLN 5 13.619 5.524 -0.144
36 HG3 GLN 5 3HG GLN 5 12.136 5.066 -0.980
37 HE21 GLN 5 1HE2 GLN 5 10.437 4.778 0.259
38 HE22 GLN 5 2HE2 GLN 5 10.452 4.356 1.934
39 HA PRO 6 HA PRO 6 13.630 2.337 -5.812
40 HB2 PRO 6 2HB PRO 6 14.334 4.812 -6.678
41 HB3 PRO 6 3HB PRO 6 12.655 4.266 -6.593
42 HG2 PRO 6 2HG PRO 6 14.190 5.975 -4.673
43 HG3 PRO 6 3HG PRO 6 12.529 6.170 -5.264
44 HD2 PRO 6 2HD PRO 6 13.098 5.108 -2.839
45 HD3 PRO 6 3HD PRO 6 11.690 4.604 -3.795
46 H ALA 7 H ALA 7 15.636 2.814 -7.178
47 HA ALA 7 HA ALA 7 17.894 2.720 -7.451
48 HB1 ALA 7 1HB ALA 7 18.609 4.712 -6.761
49 HB2 ALA 7 2HB ALA 7 17.476 4.734 -5.409
50 HB3 ALA 7 3HB ALA 7 19.035 3.928 -5.239
51 HA PRO 8 HA PRO 8 19.397 -0.756 -5.235
52 HB2 PRO 8 2HB PRO 8 22.087 -0.417 -5.372
53 HB3 PRO 8 3HB PRO 8 21.105 -0.875 -6.768
54 HG2 PRO 8 2HG PRO 8 22.161 1.818 -5.996
55 HG3 PRO 8 3HG PRO 8 22.111 1.052 -7.594
56 HD2 PRO 8 2HD PRO 8 20.307 2.915 -6.815
57 HD3 PRO 8 3HD PRO 8 19.894 1.591 -7.922
58 HA PRO 9 HA PRO 9 20.321 0.116 -1.026
59 HB2 PRO 9 2HB PRO 9 21.968 -1.929 -0.336
60 HB3 PRO 9 3HB PRO 9 20.238 -2.146 -0.628
61 HG2 PRO 9 2HG PRO 9 22.550 -2.684 -2.453
62 HG3 PRO 9 3HG PRO 9 21.102 -3.666 -2.162
63 HD2 PRO 9 2HD PRO 9 21.367 -2.069 -4.332
64 HD3 PRO 9 3HD PRO 9 19.798 -2.384 -3.565
65 H GLN 10 H GLN 10 22.128 0.434 0.571
66 HA GLN 10 HA GLN 10 24.569 1.390 -0.771
67 HB2 GLN 10 2HB GLN 10 22.711 2.789 1.038
68 HB3 GLN 10 3HB GLN 10 24.415 2.991 1.425
69 HG2 GLN 10 2HG GLN 10 24.557 3.481 -1.175
70 HG3 GLN 10 3HG GLN 10 22.873 3.935 -0.919
71 HE21 GLN 10 1HE2 GLN 10 22.398 5.640 0.518
72 HE22 GLN 10 2HE2 GLN 10 23.586 6.830 0.916
73 H GLN 11 H GLN 11 26.477 0.830 0.126
74 HA GLN 11 HA GLN 11 26.560 -0.198 2.850
75 HB2 GLN 11 2HB GLN 11 26.083 -2.109 1.228
76 HB3 GLN 11 3HB GLN 11 27.704 -1.843 0.598
77 HG2 GLN 11 2HG GLN 11 28.705 -2.445 2.648
78 HG3 GLN 11 3HG GLN 11 27.162 -2.387 3.500
79 HE21 GLN 11 1HE2 GLN 11 25.487 -3.925 2.616
80 HE22 GLN 11 2HE2 GLN 11 26.032 -5.513 2.209
81 HA PRO 12 HA PRO 12 30.218 2.381 1.571
82 HB2 PRO 12 2HB PRO 12 30.101 4.045 3.713
83 HB3 PRO 12 3HB PRO 12 29.192 4.331 2.225
84 HG2 PRO 12 2HG PRO 12 28.269 3.132 4.808
85 HG3 PRO 12 3HG PRO 12 27.451 4.311 3.766
86 HD2 PRO 12 2HD PRO 12 26.824 1.677 3.757
87 HD3 PRO 12 3HD PRO 12 26.706 2.692 2.305
88 H TYR 13 H TYR 13 32.071 3.064 3.183
89 HA TYR 13 HA TYR 13 33.754 2.387 4.553
90 HB2 TYR 13 2HB TYR 13 31.816 2.516 6.220
91 HB3 TYR 13 3HB TYR 13 31.722 0.764 6.077
92 HD1 TYR 13 HD1 TYR 13 33.514 3.557 7.521
93 HD2 TYR 13 HD2 TYR 13 33.649 -0.635 6.811
94 HE1 TYR 13 HE1 TYR 13 35.272 3.331 9.226
95 HE2 TYR 13 HE2 TYR 13 35.407 -0.873 8.514
96 HH TYR 13 HH TYR 13 36.437 1.864 10.487
Start of MODEL 40
1 H1 LEU 1 H LEU 1 4.177 0.194 2.064
2 HA LEU 1 HA LEU 1 5.563 2.145 1.538
3 HB2 LEU 1 2HB LEU 1 6.207 2.818 3.850
4 HB3 LEU 1 3HB LEU 1 4.534 2.292 3.672
5 HG LEU 1 HG LEU 1 5.447 0.002 4.513
6 HD11 LEU 1 1HD1 LEU 1 7.302 1.131 6.296
7 HD12 LEU 1 2HD1 LEU 1 7.781 1.647 4.680
8 HD13 LEU 1 3HD1 LEU 1 7.598 -0.069 5.039
9 HD21 LEU 1 1HD2 LEU 1 4.064 2.005 5.666
10 HD22 LEU 1 2HD2 LEU 1 5.476 1.954 6.722
11 HD23 LEU 1 3HD2 LEU 1 4.492 0.507 6.492
12 H GLY 2 H GLY 2 7.725 3.166 2.404
13 HA2 GLY 2 2HA GLY 2 10.043 2.694 2.975
14 HA3 GLY 2 3HA GLY 2 9.877 1.164 2.127
15 H GLN 3 H GLN 3 9.127 1.522 -0.268
16 HA GLN 3 HA GLN 3 9.685 2.240 -2.352
17 HB2 GLN 3 2HB GLN 3 8.710 4.389 -1.353
18 HB3 GLN 3 3HB GLN 3 10.376 4.910 -1.144
19 HG2 GLN 3 2HG GLN 3 9.310 5.773 -3.199
20 HG3 GLN 3 3HG GLN 3 10.769 4.829 -3.499
21 HE21 GLN 3 1HE2 GLN 3 7.248 4.509 -3.327
22 HE22 GLN 3 2HE2 GLN 3 7.116 3.346 -4.597
23 H GLN 4 H GLN 4 11.474 1.047 -2.803
24 HA GLN 4 HA GLN 4 14.026 2.430 -2.650
25 HB2 GLN 4 2HB GLN 4 13.736 0.988 -0.565
26 HB3 GLN 4 3HB GLN 4 13.828 -0.402 -1.639
27 HG2 GLN 4 2HG GLN 4 16.050 0.129 -2.275
28 HG3 GLN 4 3HG GLN 4 15.965 1.704 -1.488
29 HE21 GLN 4 1HE2 GLN 4 15.088 -1.567 -0.437
30 HE22 GLN 4 2HE2 GLN 4 16.075 -1.561 0.981
31 H GLN 5 H GLN 5 15.292 2.035 -4.381
32 HA GLN 5 HA GLN 5 14.198 0.440 -6.514
33 HB2 GLN 5 2HB GLN 5 16.428 2.382 -6.212
34 HB3 GLN 5 3HB GLN 5 16.554 1.211 -7.518
35 HG2 GLN 5 2HG GLN 5 14.391 1.947 -8.385
36 HG3 GLN 5 3HG GLN 5 14.274 3.127 -7.080
37 HE21 GLN 5 1HE2 GLN 5 14.479 3.297 -10.092
38 HE22 GLN 5 2HE2 GLN 5 15.743 4.442 -10.364
39 HA PRO 6 HA PRO 6 16.522 -3.252 -6.067
40 HB2 PRO 6 2HB PRO 6 17.168 -3.855 -8.634
41 HB3 PRO 6 3HB PRO 6 15.526 -4.002 -7.997
42 HG2 PRO 6 2HG PRO 6 16.734 -1.804 -9.630
43 HG3 PRO 6 3HG PRO 6 15.140 -2.566 -9.784
44 HD2 PRO 6 2HD PRO 6 15.500 -0.172 -8.571
45 HD3 PRO 6 3HD PRO 6 14.239 -1.316 -8.070
46 H ALA 7 H ALA 7 18.470 -3.246 -5.134
47 HA ALA 7 HA ALA 7 20.842 -2.946 -6.688
48 HB1 ALA 7 1HB ALA 7 21.437 -1.075 -4.720
49 HB2 ALA 7 2HB ALA 7 21.183 -0.764 -6.438
50 HB3 ALA 7 3HB ALA 7 19.838 -0.617 -5.307
51 HA PRO 8 HA PRO 8 22.514 -5.492 -3.530
52 HB2 PRO 8 2HB PRO 8 25.115 -4.719 -3.472
53 HB3 PRO 8 3HB PRO 8 24.420 -5.654 -4.801
54 HG2 PRO 8 2HG PRO 8 24.945 -2.712 -4.626
55 HG3 PRO 8 3HG PRO 8 25.237 -3.822 -5.978
56 HD2 PRO 8 2HD PRO 8 23.085 -2.182 -5.878
57 HD3 PRO 8 3HD PRO 8 23.034 -3.778 -6.654
58 HA PRO 9 HA PRO 9 22.689 -3.523 0.398
59 HB2 PRO 9 2HB PRO 9 24.506 -5.026 1.743
60 HB3 PRO 9 3HB PRO 9 22.887 -5.609 1.339
61 HG2 PRO 9 2HG PRO 9 25.489 -6.132 -0.046
62 HG3 PRO 9 3HG PRO 9 24.176 -7.263 0.333
63 HD2 PRO 9 2HD PRO 9 24.508 -6.188 -2.130
64 HD3 PRO 9 3HD PRO 9 22.909 -6.593 -1.472
65 H GLN 10 H GLN 10 23.596 -1.509 -0.264
66 HA GLN 10 HA GLN 10 26.502 -1.258 0.103
67 HB2 GLN 10 2HB GLN 10 25.841 -0.431 -2.034
68 HB3 GLN 10 3HB GLN 10 24.500 0.473 -1.343
69 HG2 GLN 10 2HG GLN 10 26.270 1.980 -1.944
70 HG3 GLN 10 3HG GLN 10 26.104 1.934 -0.190
71 HE21 GLN 10 1HE2 GLN 10 28.139 2.507 0.359
72 HE22 GLN 10 2HE2 GLN 10 29.543 1.571 -0.009
73 H GLN 11 H GLN 11 27.354 0.360 1.439
74 HA GLN 11 HA GLN 11 25.455 1.390 3.440
75 HB2 GLN 11 2HB GLN 11 28.363 0.624 3.700
76 HB3 GLN 11 3HB GLN 11 27.477 1.490 4.948
77 HG2 GLN 11 2HG GLN 11 25.950 -0.363 5.203
78 HG3 GLN 11 3HG GLN 11 26.735 -1.224 3.880
79 HE21 GLN 11 1HE2 GLN 11 27.129 -0.035 7.150
80 HE22 GLN 11 2HE2 GLN 11 28.412 -1.105 7.588
81 HA PRO 12 HA PRO 12 27.094 5.097 1.215
82 HB2 PRO 12 2HB PRO 12 24.722 6.416 1.208
83 HB3 PRO 12 3HB PRO 12 25.174 5.246 -0.038
84 HG2 PRO 12 2HG PRO 12 23.424 4.875 2.362
85 HG3 PRO 12 3HG PRO 12 23.183 4.300 0.702
86 HD2 PRO 12 2HD PRO 12 24.111 2.699 2.679
87 HD3 PRO 12 3HD PRO 12 24.603 2.507 0.984
88 H TYR 13 H TYR 13 28.304 5.520 3.156
89 HA TYR 13 HA TYR 13 26.897 6.915 5.302
90 HB2 TYR 13 2HB TYR 13 29.518 5.554 5.028
91 HB3 TYR 13 3HB TYR 13 29.461 6.933 6.120
92 HD1 TYR 13 HD1 TYR 13 28.154 3.553 5.478
93 HD2 TYR 13 HD2 TYR 13 28.279 6.816 8.206
94 HE1 TYR 13 HE1 TYR 13 27.197 2.116 7.231
95 HE2 TYR 13 HE2 TYR 13 27.324 5.388 9.967
96 HH TYR 13 HH TYR 13 27.040 1.983 9.620