Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
15688 | 1yt6 RC | 6511 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 HT1 ALA 1 4.519 6.237 2.297
2 2H ALA 1 HT2 ALA 1 3.982 5.342 0.935
3 3H ALA 1 HT3 ALA 1 4.884 4.567 2.173
4 HA ALA 1 HA ALA 1 3.182 4.634 3.658
5 1HB ALA 1 HB1 ALA 1 2.653 7.026 3.233
6 2HB ALA 1 HB2 ALA 1 1.229 6.010 3.456
7 3HB ALA 1 HB3 ALA 1 1.702 6.524 1.836
8 H CYS 2 HN CYS 2 2.444 2.635 3.473
9 HA CYS 2 HA CYS 2 2.038 1.055 1.385
10 1HB CYS 2 HB2 CYS 2 -0.178 0.477 3.075
11 2HB CYS 2 HB1 CYS 2 1.379 -0.321 2.985
12 H LEU 3 HN LEU 3 0.313 0.379 0.043
13 HA LEU 3 HA LEU 3 -1.521 2.556 -0.627
14 1HB LEU 3 HB2 LEU 3 -0.945 0.024 -2.162
15 2HB LEU 3 HB1 LEU 3 -1.850 1.410 -2.739
16 HG LEU 3 HG LEU 3 0.926 1.949 -1.867
17 1HD1 LEU 3 HD11 LEU 3 0.624 -0.287 -3.363
18 2HD1 LEU 3 HD12 LEU 3 2.033 0.771 -3.424
19 3HD1 LEU 3 HD13 LEU 3 0.748 0.944 -4.620
20 1HD2 LEU 3 HD21 LEU 3 0.640 3.099 -4.261
21 2HD2 LEU 3 HD22 LEU 3 0.054 3.835 -2.769
22 3HD2 LEU 3 HD23 LEU 3 -1.060 2.955 -3.814
23 HA PRO 4 HA PRO 4 -5.179 0.719 0.996
24 1HB PRO 4 HB2 PRO 4 -6.463 1.272 -1.626
25 2HB PRO 4 HB1 PRO 4 -6.944 1.788 -0.006
26 1HG PRO 4 HG2 PRO 4 -5.839 3.511 -1.709
27 2HG PRO 4 HG1 PRO 4 -5.444 3.556 0.020
28 1HD PRO 4 HD2 PRO 4 -3.849 2.467 -2.265
29 2HD PRO 4 HD1 PRO 4 -3.302 3.363 -0.832
30 H TRP 5 HN TRP 5 -4.872 -0.029 -2.481
31 HA TRP 5 HA TRP 5 -5.887 -2.717 -1.977
32 1HB TRP 5 HB2 TRP 5 -5.433 -2.718 -4.641
33 2HB TRP 5 HB1 TRP 5 -6.924 -2.139 -3.909
34 HD1 TRP 5 HD1 TRP 5 -7.672 0.082 -4.900
35 HE1 TRP 5 HE1 TRP 5 -6.517 2.154 -5.898
36 HE3 TRP 5 HE3 TRP 5 -2.797 -1.358 -4.351
37 HZ2 TRP 5 HZ2 TRP 5 -3.888 3.058 -6.389
38 HZ3 TRP 5 HZ3 TRP 5 -1.023 0.167 -5.110
39 HH2 TRP 5 HH2 TRP 5 -1.559 2.330 -6.108
40 H SER 6 HN SER 6 -3.011 -1.445 -1.548
41 HA SER 6 HA SER 6 -1.624 -3.911 -1.871
42 1HB SER 6 HB2 SER 6 -0.839 -1.614 -3.684
43 2HB SER 6 HB1 SER 6 0.116 -3.076 -3.436
44 HG SER 6 HG SER 6 -1.434 -2.931 -5.312
45 H ASP 7 HN ASP 7 -1.847 -2.944 0.434
46 HA ASP 7 HA ASP 7 -0.488 -0.803 1.419
47 1HB ASP 7 HB2 ASP 7 0.028 -2.426 3.437
48 2HB ASP 7 HB1 ASP 7 -1.620 -1.926 3.076
49 H GLY 8 HN GLY 8 1.017 -4.043 1.555
50 1HA GLY 8 HA2 GLY 8 3.175 -4.675 0.987
51 2HA GLY 8 HA1 GLY 8 3.470 -3.040 0.413
52 HA PRO 9 HA PRO 9 5.859 -3.561 4.344
53 1HB PRO 9 HB2 PRO 9 8.116 -2.354 3.467
54 2HB PRO 9 HB1 PRO 9 7.775 -4.062 3.168
55 1HG PRO 9 HG2 PRO 9 7.417 -1.712 1.348
56 2HG PRO 9 HG1 PRO 9 8.080 -3.317 0.985
57 1HD PRO 9 HD2 PRO 9 5.533 -2.602 0.371
58 2HD PRO 9 HD1 PRO 9 5.994 -4.268 0.775
59 H CYS 10 HN CYS 10 4.490 -2.065 5.382
60 HA CYS 10 HA CYS 10 4.464 0.707 4.800
61 1HB CYS 10 HB2 CYS 10 3.696 -0.755 7.335
62 2HB CYS 10 HB1 CYS 10 3.322 0.930 6.988
Start of MODEL 2
1 1H ALA 1 HT1 ALA 1 4.569 6.439 2.185
2 2H ALA 1 HT2 ALA 1 4.396 5.469 0.779
3 3H ALA 1 HT3 ALA 1 5.151 4.826 2.180
4 HA ALA 1 HA ALA 1 3.184 4.818 3.373
5 1HB ALA 1 HB1 ALA 1 2.188 6.871 2.793
6 2HB ALA 1 HB2 ALA 1 1.062 5.630 2.244
7 3HB ALA 1 HB3 ALA 1 2.111 6.443 1.083
8 H CYS 2 HN CYS 2 1.200 3.432 2.913
9 HA CYS 2 HA CYS 2 2.012 1.296 1.134
10 1HB CYS 2 HB2 CYS 2 0.701 1.482 3.625
11 2HB CYS 2 HB1 CYS 2 -0.450 0.793 2.503
12 H LEU 3 HN LEU 3 0.411 0.228 -0.221
13 HA LEU 3 HA LEU 3 -0.931 2.093 -1.912
14 1HB LEU 3 HB2 LEU 3 -0.247 -0.731 -1.915
15 2HB LEU 3 HB1 LEU 3 -1.832 -0.436 -2.604
16 HG LEU 3 HG LEU 3 -0.513 1.432 -3.948
17 1HD1 LEU 3 HD11 LEU 3 1.716 0.953 -4.425
18 2HD1 LEU 3 HD12 LEU 3 1.620 -0.658 -3.715
19 3HD1 LEU 3 HD13 LEU 3 1.604 0.766 -2.675
20 1HD2 LEU 3 HD21 LEU 3 -0.471 -1.504 -4.631
21 2HD2 LEU 3 HD22 LEU 3 -0.273 -0.175 -5.775
22 3HD2 LEU 3 HD23 LEU 3 -1.804 -0.387 -4.924
23 HA PRO 4 HA PRO 4 -5.149 2.040 -0.610
24 1HB PRO 4 HB2 PRO 4 -6.041 0.603 -3.041
25 2HB PRO 4 HB1 PRO 4 -6.507 2.198 -2.445
26 1HG PRO 4 HG2 PRO 4 -4.914 1.935 -4.573
27 2HG PRO 4 HG1 PRO 4 -4.664 3.237 -3.392
28 1HD PRO 4 HD2 PRO 4 -3.178 0.656 -3.715
29 2HD PRO 4 HD1 PRO 4 -2.554 2.278 -3.344
30 H TRP 5 HN TRP 5 -3.935 -0.984 -1.913
31 HA TRP 5 HA TRP 5 -5.818 -2.473 -0.220
32 1HB TRP 5 HB2 TRP 5 -4.384 -4.327 -1.760
33 2HB TRP 5 HB1 TRP 5 -6.047 -3.808 -2.000
34 HD1 TRP 5 HD1 TRP 5 -2.510 -3.244 -3.351
35 HE1 TRP 5 HE1 TRP 5 -2.681 -2.112 -5.655
36 HE3 TRP 5 HE3 TRP 5 -7.533 -2.306 -3.420
37 HZ2 TRP 5 HZ2 TRP 5 -4.683 -0.972 -7.287
38 HZ3 TRP 5 HZ3 TRP 5 -8.498 -1.191 -5.389
39 HH2 TRP 5 HH2 TRP 5 -7.101 -0.538 -7.282
40 H SER 6 HN SER 6 -3.173 -1.063 0.437
41 HA SER 6 HA SER 6 -1.581 -1.342 2.029
42 1HB SER 6 HB2 SER 6 -1.836 -2.944 3.645
43 2HB SER 6 HB1 SER 6 -3.452 -2.941 2.940
44 HG SER 6 HG SER 6 -1.883 -4.996 3.197
45 H ASP 7 HN ASP 7 -0.934 -1.724 -0.624
46 HA ASP 7 HA ASP 7 0.932 -3.970 -0.658
47 1HB ASP 7 HB2 ASP 7 -0.686 -3.333 -2.619
48 2HB ASP 7 HB1 ASP 7 0.529 -2.113 -2.980
49 H GLY 8 HN GLY 8 2.606 -3.324 0.582
50 1HA GLY 8 HA2 GLY 8 4.740 -1.966 -0.361
51 2HA GLY 8 HA1 GLY 8 3.753 -0.680 0.320
52 HA PRO 9 HA PRO 9 6.461 -2.179 3.741
53 1HB PRO 9 HB2 PRO 9 6.771 0.266 4.890
54 2HB PRO 9 HB1 PRO 9 7.788 -0.310 3.564
55 1HG PRO 9 HG2 PRO 9 5.424 1.524 3.480
56 2HG PRO 9 HG1 PRO 9 6.971 1.652 2.623
57 1HD PRO 9 HD2 PRO 9 4.723 0.727 1.433
58 2HD PRO 9 HD1 PRO 9 6.341 0.141 0.999
59 H CYS 10 HN CYS 10 4.001 -2.954 3.994
60 HA CYS 10 HA CYS 10 2.716 -1.485 6.176
61 1HB CYS 10 HB2 CYS 10 1.797 -3.399 4.105
62 2HB CYS 10 HB1 CYS 10 0.992 -3.493 5.667
Start of MODEL 3
1 1H ALA 1 HT1 ALA 1 -2.694 4.060 5.676
2 2H ALA 1 HT2 ALA 1 -2.345 5.214 4.454
3 3H ALA 1 HT3 ALA 1 -1.073 4.531 5.382
4 HA ALA 1 HA ALA 1 -1.862 2.332 4.492
5 1HB ALA 1 HB1 ALA 1 -2.945 2.475 2.295
6 2HB ALA 1 HB2 ALA 1 -3.107 4.220 2.497
7 3HB ALA 1 HB3 ALA 1 -3.968 3.123 3.576
8 H CYS 2 HN CYS 2 -0.200 1.451 3.377
9 HA CYS 2 HA CYS 2 1.862 3.203 2.434
10 1HB CYS 2 HB2 CYS 2 1.756 0.669 3.630
11 2HB CYS 2 HB1 CYS 2 2.466 0.458 2.043
12 H LEU 3 HN LEU 3 0.838 0.218 1.110
13 HA LEU 3 HA LEU 3 1.397 1.002 -1.574
14 1HB LEU 3 HB2 LEU 3 0.404 -1.438 -0.223
15 2HB LEU 3 HB1 LEU 3 -0.027 -1.256 -1.913
16 HG LEU 3 HG LEU 3 2.447 -0.917 -2.377
17 1HD1 LEU 3 HD11 LEU 3 2.668 -0.727 0.326
18 2HD1 LEU 3 HD12 LEU 3 3.998 -1.096 -0.772
19 3HD1 LEU 3 HD13 LEU 3 3.144 -2.402 0.049
20 1HD2 LEU 3 HD21 LEU 3 2.200 -3.630 -1.261
21 2HD2 LEU 3 HD22 LEU 3 2.603 -3.103 -2.895
22 3HD2 LEU 3 HD23 LEU 3 0.920 -3.141 -2.371
23 HA PRO 4 HA PRO 4 -2.358 2.789 -3.020
24 1HB PRO 4 HB2 PRO 4 -2.298 0.834 -5.261
25 2HB PRO 4 HB1 PRO 4 -2.358 2.600 -5.310
26 1HG PRO 4 HG2 PRO 4 -0.107 1.314 -5.897
27 2HG PRO 4 HG1 PRO 4 -0.071 2.818 -4.956
28 1HD PRO 4 HD2 PRO 4 0.211 -0.012 -4.022
29 2HD PRO 4 HD1 PRO 4 1.082 1.443 -3.492
30 H TRP 5 HN TRP 5 -2.141 -0.716 -2.969
31 HA TRP 5 HA TRP 5 -5.054 -0.880 -2.582
32 1HB TRP 5 HB2 TRP 5 -4.363 -3.454 -2.982
33 2HB TRP 5 HB1 TRP 5 -4.786 -2.358 -4.292
34 HD1 TRP 5 HD1 TRP 5 -1.571 -3.559 -2.475
35 HE1 TRP 5 HE1 TRP 5 0.322 -3.679 -4.214
36 HE3 TRP 5 HE3 TRP 5 -4.088 -1.751 -6.535
37 HZ2 TRP 5 HZ2 TRP 5 0.698 -3.083 -6.949
38 HZ3 TRP 5 HZ3 TRP 5 -2.892 -1.555 -8.676
39 HH2 TRP 5 HH2 TRP 5 -0.547 -2.206 -8.877
40 H SER 6 HN SER 6 -3.188 -0.118 -0.522
41 HA SER 6 HA SER 6 -2.788 -0.504 1.678
42 1HB SER 6 HB2 SER 6 -4.421 -1.612 2.916
43 2HB SER 6 HB1 SER 6 -5.301 -1.159 1.457
44 HG SER 6 HG SER 6 -5.498 -3.197 0.948
45 H ASP 7 HN ASP 7 -0.908 -1.304 2.267
46 HA ASP 7 HA ASP 7 -0.403 -4.024 2.679
47 1HB ASP 7 HB2 ASP 7 -0.133 -3.351 -0.015
48 2HB ASP 7 HB1 ASP 7 1.518 -3.363 0.598
49 H GLY 8 HN GLY 8 1.149 -4.157 4.171
50 1HA GLY 8 HA2 GLY 8 2.388 -1.904 5.251
51 2HA GLY 8 HA1 GLY 8 2.871 -3.563 5.562
52 HA PRO 9 HA PRO 9 6.623 -3.375 3.269
53 1HB PRO 9 HB2 PRO 9 6.133 -4.835 0.928
54 2HB PRO 9 HB1 PRO 9 6.727 -5.487 2.456
55 1HG PRO 9 HG2 PRO 9 3.957 -5.456 1.356
56 2HG PRO 9 HG1 PRO 9 4.771 -6.699 2.325
57 1HD PRO 9 HD2 PRO 9 2.952 -5.067 3.409
58 2HD PRO 9 HD1 PRO 9 4.394 -5.568 4.318
59 H CYS 10 HN CYS 10 6.377 -1.118 2.861
60 HA CYS 10 HA CYS 10 5.071 -0.086 0.572
61 1HB CYS 10 HB2 CYS 10 6.588 0.943 2.790
62 2HB CYS 10 HB1 CYS 10 7.141 1.695 1.298
Start of MODEL 4
1 1H ALA 1 HT1 ALA 1 1.617 6.311 1.907
2 2H ALA 1 HT2 ALA 1 2.906 6.161 3.030
3 3H ALA 1 HT3 ALA 1 1.454 6.953 3.487
4 HA ALA 1 HA ALA 1 1.839 4.614 4.277
5 1HB ALA 1 HB1 ALA 1 -0.645 4.096 3.657
6 2HB ALA 1 HB2 ALA 1 -0.621 5.739 3.018
7 3HB ALA 1 HB3 ALA 1 -0.258 5.449 4.719
8 H CYS 2 HN CYS 2 1.032 2.402 3.655
9 HA CYS 2 HA CYS 2 2.483 1.355 1.578
10 1HB CYS 2 HB2 CYS 2 0.244 -0.355 1.974
11 2HB CYS 2 HB1 CYS 2 1.877 -0.513 2.583
12 H LEU 3 HN LEU 3 0.928 -0.307 0.071
13 HA LEU 3 HA LEU 3 0.265 1.223 -2.139
14 1HB LEU 3 HB2 LEU 3 -0.321 -1.558 -1.266
15 2HB LEU 3 HB1 LEU 3 -1.221 -0.931 -2.631
16 HG LEU 3 HG LEU 3 1.085 -2.255 -2.892
17 1HD1 LEU 3 HD11 LEU 3 0.055 0.023 -4.557
18 2HD1 LEU 3 HD12 LEU 3 -0.254 -1.701 -4.758
19 3HD1 LEU 3 HD13 LEU 3 1.353 -1.050 -5.079
20 1HD2 LEU 3 HD21 LEU 3 2.050 0.577 -3.067
21 2HD2 LEU 3 HD22 LEU 3 2.984 -0.919 -3.054
22 3HD2 LEU 3 HD23 LEU 3 2.209 -0.350 -1.575
23 HA PRO 4 HA PRO 4 -3.770 2.953 -1.847
24 1HB PRO 4 HB2 PRO 4 -4.711 1.055 -3.949
25 2HB PRO 4 HB1 PRO 4 -4.852 2.816 -3.878
26 1HG PRO 4 HG2 PRO 4 -3.062 1.672 -5.476
27 2HG PRO 4 HG1 PRO 4 -2.664 3.151 -4.581
28 1HD PRO 4 HD2 PRO 4 -1.836 0.333 -4.054
29 2HD PRO 4 HD1 PRO 4 -0.926 1.840 -3.822
30 H TRP 5 HN TRP 5 -3.922 -0.563 -2.363
31 HA TRP 5 HA TRP 5 -6.083 -0.699 -0.369
32 1HB TRP 5 HB2 TRP 5 -6.274 -3.104 -1.495
33 2HB TRP 5 HB1 TRP 5 -7.066 -1.693 -2.187
34 HD1 TRP 5 HD1 TRP 5 -3.943 -3.894 -2.710
35 HE1 TRP 5 HE1 TRP 5 -3.213 -3.684 -5.169
36 HE3 TRP 5 HE3 TRP 5 -7.220 -0.274 -4.221
37 HZ2 TRP 5 HZ2 TRP 5 -3.931 -2.179 -7.448
38 HZ3 TRP 5 HZ3 TRP 5 -7.132 0.497 -6.556
39 HH2 TRP 5 HH2 TRP 5 -5.520 -0.437 -8.135
40 H SER 6 HN SER 6 -3.375 -0.480 0.395
41 HA SER 6 HA SER 6 -1.885 -1.387 1.847
42 1HB SER 6 HB2 SER 6 -3.601 -1.930 3.351
43 2HB SER 6 HB1 SER 6 -4.261 -3.176 2.293
44 HG SER 6 HG SER 6 -2.168 -3.302 4.099
45 H ASP 7 HN ASP 7 -0.140 -2.117 0.849
46 HA ASP 7 HA ASP 7 0.282 -4.859 0.389
47 1HB ASP 7 HB2 ASP 7 -0.811 -3.351 -1.852
48 2HB ASP 7 HB1 ASP 7 0.740 -4.088 -2.242
49 H GLY 8 HN GLY 8 2.382 -5.164 0.720
50 1HA GLY 8 HA2 GLY 8 4.682 -4.796 0.206
51 2HA GLY 8 HA1 GLY 8 4.287 -3.140 -0.232
52 HA PRO 9 HA PRO 9 6.115 -3.149 4.057
53 1HB PRO 9 HB2 PRO 9 7.907 -1.165 3.618
54 2HB PRO 9 HB1 PRO 9 8.255 -2.862 3.264
55 1HG PRO 9 HG2 PRO 9 7.408 -0.674 1.404
56 2HG PRO 9 HG1 PRO 9 8.648 -1.921 1.174
57 1HD PRO 9 HD2 PRO 9 6.168 -2.104 0.093
58 2HD PRO 9 HD1 PRO 9 7.104 -3.528 0.591
59 H CYS 10 HN CYS 10 4.324 -2.272 5.045
60 HA CYS 10 HA CYS 10 3.249 0.279 4.432
61 1HB CYS 10 HB2 CYS 10 2.903 -1.660 6.695
62 2HB CYS 10 HB1 CYS 10 2.205 -0.048 6.805
Start of MODEL 5
1 1H ALA 1 HT1 ALA 1 -0.757 3.854 5.400
2 2H ALA 1 HT2 ALA 1 0.667 4.273 4.539
3 3H ALA 1 HT3 ALA 1 0.443 2.667 5.102
4 HA ALA 1 HA ALA 1 -1.210 2.230 3.597
5 1HB ALA 1 HB1 ALA 1 -1.217 5.138 2.813
6 2HB ALA 1 HB2 ALA 1 -2.361 4.416 3.944
7 3HB ALA 1 HB3 ALA 1 -2.320 3.875 2.266
8 H CYS 2 HN CYS 2 0.494 1.051 2.716
9 HA CYS 2 HA CYS 2 2.424 2.316 1.032
10 1HB CYS 2 HB2 CYS 2 2.251 -0.069 2.497
11 2HB CYS 2 HB1 CYS 2 2.440 -0.515 0.813
12 H LEU 3 HN LEU 3 0.626 -0.514 0.361
13 HA LEU 3 HA LEU 3 0.568 -0.141 -2.427
14 1HB LEU 3 HB2 LEU 3 -0.679 -2.022 -0.512
15 2HB LEU 3 HB1 LEU 3 -1.460 -1.873 -2.075
16 HG LEU 3 HG LEU 3 1.457 -2.551 -1.706
17 1HD1 LEU 3 HD11 LEU 3 0.029 -4.309 -0.785
18 2HD1 LEU 3 HD12 LEU 3 0.837 -4.836 -2.261
19 3HD1 LEU 3 HD13 LEU 3 -0.865 -4.377 -2.304
20 1HD2 LEU 3 HD21 LEU 3 1.347 -3.187 -4.056
21 2HD2 LEU 3 HD22 LEU 3 0.917 -1.490 -3.842
22 3HD2 LEU 3 HD23 LEU 3 -0.344 -2.692 -4.121
23 HA PRO 4 HA PRO 4 -2.749 2.571 -3.375
24 1HB PRO 4 HB2 PRO 4 -3.909 0.390 -5.040
25 2HB PRO 4 HB1 PRO 4 -3.522 2.057 -5.479
26 1HG PRO 4 HG2 PRO 4 -1.962 0.053 -6.272
27 2HG PRO 4 HG1 PRO 4 -1.264 1.600 -5.755
28 1HD PRO 4 HD2 PRO 4 -1.396 -1.003 -4.300
29 2HD PRO 4 HD1 PRO 4 -0.111 0.222 -4.309
30 H TRP 5 HN TRP 5 -3.881 -0.790 -2.951
31 HA TRP 5 HA TRP 5 -6.140 0.283 -1.390
32 1HB TRP 5 HB2 TRP 5 -7.161 -2.059 -2.104
33 2HB TRP 5 HB1 TRP 5 -7.282 -0.647 -3.147
34 HD1 TRP 5 HD1 TRP 5 -5.313 -3.937 -2.805
35 HE1 TRP 5 HE1 TRP 5 -4.346 -4.544 -5.112
36 HE3 TRP 5 HE3 TRP 5 -6.616 0.291 -5.369
37 HZ2 TRP 5 HZ2 TRP 5 -4.161 -3.384 -7.679
38 HZ3 TRP 5 HZ3 TRP 5 -6.006 0.462 -7.746
39 HH2 TRP 5 HH2 TRP 5 -4.803 -1.338 -8.876
40 H SER 6 HN SER 6 -3.380 -0.704 -0.597
41 HA SER 6 HA SER 6 -4.214 -2.108 1.731
42 1HB SER 6 HB2 SER 6 -3.155 -4.210 1.377
43 2HB SER 6 HB1 SER 6 -4.116 -3.911 -0.070
44 HG SER 6 HG SER 6 -1.899 -4.641 -0.420
45 H ASP 7 HN ASP 7 -1.441 -3.326 1.877
46 HA ASP 7 HA ASP 7 0.090 -0.852 2.262
47 1HB ASP 7 HB2 ASP 7 0.941 -1.685 4.371
48 2HB ASP 7 HB1 ASP 7 -0.818 -1.731 4.414
49 H GLY 8 HN GLY 8 2.243 -2.724 3.426
50 1HA GLY 8 HA2 GLY 8 3.266 -4.673 2.009
51 2HA GLY 8 HA1 GLY 8 3.398 -3.386 0.821
52 HA PRO 9 HA PRO 9 7.423 -2.999 2.806
53 1HB PRO 9 HB2 PRO 9 8.459 -1.207 1.057
54 2HB PRO 9 HB1 PRO 9 8.334 -2.933 0.696
55 1HG PRO 9 HG2 PRO 9 6.543 -0.687 -0.146
56 2HG PRO 9 HG1 PRO 9 7.148 -2.054 -1.101
57 1HD PRO 9 HD2 PRO 9 4.652 -1.996 -0.043
58 2HD PRO 9 HD1 PRO 9 5.565 -3.502 -0.263
59 H CYS 10 HN CYS 10 5.688 -1.822 4.345
60 HA CYS 10 HA CYS 10 6.726 0.901 4.685
61 1HB CYS 10 HB2 CYS 10 3.848 0.062 4.550
62 2HB CYS 10 HB1 CYS 10 4.318 1.449 5.526
Start of MODEL 6
1 1H ALA 1 HT1 ALA 1 4.072 2.264 -1.185
2 2H ALA 1 HT2 ALA 1 4.733 3.844 -1.071
3 3H ALA 1 HT3 ALA 1 3.065 3.631 -1.417
4 HA ALA 1 HA ALA 1 4.443 2.884 1.072
5 1HB ALA 1 HB1 ALA 1 3.739 4.821 2.009
6 2HB ALA 1 HB2 ALA 1 2.295 4.914 1.001
7 3HB ALA 1 HB3 ALA 1 3.862 5.387 0.343
8 H CYS 2 HN CYS 2 3.113 1.982 2.663
9 HA CYS 2 HA CYS 2 1.376 0.037 1.993
10 1HB CYS 2 HB2 CYS 2 0.435 1.047 4.477
11 2HB CYS 2 HB1 CYS 2 1.480 -0.321 4.162
12 H LEU 3 HN LEU 3 -0.256 0.336 0.592
13 HA LEU 3 HA LEU 3 -2.345 2.271 1.366
14 1HB LEU 3 HB2 LEU 3 -1.316 1.574 -1.372
15 2HB LEU 3 HB1 LEU 3 -2.866 2.354 -1.126
16 HG LEU 3 HG LEU 3 -0.327 3.535 -0.038
17 1HD1 LEU 3 HD11 LEU 3 0.188 4.578 -1.992
18 2HD1 LEU 3 HD12 LEU 3 -1.472 4.536 -2.584
19 3HD1 LEU 3 HD13 LEU 3 -0.479 3.080 -2.640
20 1HD2 LEU 3 HD21 LEU 3 -2.858 4.169 0.511
21 2HD2 LEU 3 HD22 LEU 3 -2.641 5.134 -0.949
22 3HD2 LEU 3 HD23 LEU 3 -1.568 5.369 0.431
23 HA PRO 4 HA PRO 4 -5.469 -0.821 1.388
24 1HB PRO 4 HB2 PRO 4 -6.941 0.704 -0.701
25 2HB PRO 4 HB1 PRO 4 -7.484 0.164 0.892
26 1HG PRO 4 HG2 PRO 4 -6.896 2.721 0.466
27 2HG PRO 4 HG1 PRO 4 -6.445 1.930 1.989
28 1HD PRO 4 HD2 PRO 4 -4.740 2.616 -0.372
29 2HD PRO 4 HD1 PRO 4 -4.359 2.709 1.360
30 H TRP 5 HN TRP 5 -5.477 0.363 -1.972
31 HA TRP 5 HA TRP 5 -5.754 -2.317 -2.986
32 1HB TRP 5 HB2 TRP 5 -5.197 -0.777 -5.197
33 2HB TRP 5 HB1 TRP 5 -6.803 -1.099 -4.559
34 HD1 TRP 5 HD1 TRP 5 -8.202 0.970 -3.980
35 HE1 TRP 5 HE1 TRP 5 -7.728 3.479 -3.663
36 HE3 TRP 5 HE3 TRP 5 -3.104 0.872 -4.276
37 HZ2 TRP 5 HZ2 TRP 5 -5.487 5.191 -3.551
38 HZ3 TRP 5 HZ3 TRP 5 -1.868 2.989 -4.054
39 HH2 TRP 5 HH2 TRP 5 -3.037 5.103 -3.699
40 H SER 6 HN SER 6 -3.162 -0.674 -1.834
41 HA SER 6 HA SER 6 -1.303 -2.493 -3.052
42 1HB SER 6 HB2 SER 6 0.212 -0.749 -3.920
43 2HB SER 6 HB1 SER 6 -1.342 -0.716 -4.751
44 HG SER 6 HG SER 6 -0.719 1.377 -4.180
45 H ASP 7 HN ASP 7 -1.401 -3.015 -0.750
46 HA ASP 7 HA ASP 7 -0.668 -1.289 1.301
47 1HB ASP 7 HB2 ASP 7 -1.663 -3.622 1.478
48 2HB ASP 7 HB1 ASP 7 -0.030 -4.241 1.262
49 H GLY 8 HN GLY 8 1.642 -3.627 1.772
50 1HA GLY 8 HA2 GLY 8 3.900 -3.621 0.749
51 2HA GLY 8 HA1 GLY 8 3.751 -1.871 0.685
52 HA PRO 9 HA PRO 9 5.902 -3.011 4.651
53 1HB PRO 9 HB2 PRO 9 8.121 -1.532 4.309
54 2HB PRO 9 HB1 PRO 9 7.952 -3.142 3.597
55 1HG PRO 9 HG2 PRO 9 7.593 -0.458 2.319
56 2HG PRO 9 HG1 PRO 9 8.413 -1.897 1.686
57 1HD PRO 9 HD2 PRO 9 5.869 -1.180 0.990
58 2HD PRO 9 HD1 PRO 9 6.451 -2.856 0.986
59 H CYS 10 HN CYS 10 5.205 -1.935 6.377
60 HA CYS 10 HA CYS 10 4.937 0.996 6.214
61 1HB CYS 10 HB2 CYS 10 3.065 -0.999 6.987
62 2HB CYS 10 HB1 CYS 10 3.481 -0.088 8.433
Start of MODEL 7
1 1H ALA 1 HT1 ALA 1 -0.297 1.090 6.398
2 2H ALA 1 HT2 ALA 1 1.257 0.675 5.800
3 3H ALA 1 HT3 ALA 1 0.216 -0.545 6.411
4 HA ALA 1 HA ALA 1 0.082 -0.749 4.152
5 1HB ALA 1 HB1 ALA 1 -2.220 0.944 5.110
6 2HB ALA 1 HB2 ALA 1 -2.084 -0.811 5.210
7 3HB ALA 1 HB3 ALA 1 -2.224 -0.026 3.637
8 H CYS 2 HN CYS 2 1.770 0.359 3.100
9 HA CYS 2 HA CYS 2 1.311 3.127 2.345
10 1HB CYS 2 HB2 CYS 2 3.564 1.540 2.930
11 2HB CYS 2 HB1 CYS 2 3.694 1.993 1.243
12 H LEU 3 HN LEU 3 -0.011 0.571 1.253
13 HA LEU 3 HA LEU 3 0.530 1.083 -1.595
14 1HB LEU 3 HB2 LEU 3 -0.507 -1.397 -0.230
15 2HB LEU 3 HB1 LEU 3 -0.474 -1.187 -1.970
16 HG LEU 3 HG LEU 3 1.900 -1.332 -0.115
17 1HD1 LEU 3 HD11 LEU 3 0.487 -3.375 -1.131
18 2HD1 LEU 3 HD12 LEU 3 2.226 -3.440 -0.845
19 3HD1 LEU 3 HD13 LEU 3 1.611 -3.093 -2.461
20 1HD2 LEU 3 HD21 LEU 3 2.368 0.329 -1.797
21 2HD2 LEU 3 HD22 LEU 3 1.796 -0.748 -3.070
22 3HD2 LEU 3 HD23 LEU 3 3.260 -1.146 -2.171
23 HA PRO 4 HA PRO 4 -3.528 2.987 -1.602
24 1HB PRO 4 HB2 PRO 4 -3.257 2.618 -4.531
25 2HB PRO 4 HB1 PRO 4 -3.583 4.087 -3.607
26 1HG PRO 4 HG2 PRO 4 -1.196 3.674 -4.716
27 2HG PRO 4 HG1 PRO 4 -1.343 4.437 -3.122
28 1HD PRO 4 HD2 PRO 4 -0.585 1.627 -3.818
29 2HD PRO 4 HD1 PRO 4 0.080 2.698 -2.567
30 H TRP 5 HN TRP 5 -2.685 -0.076 -2.963
31 HA TRP 5 HA TRP 5 -5.536 -0.745 -3.266
32 1HB TRP 5 HB2 TRP 5 -4.095 -2.803 -4.465
33 2HB TRP 5 HB1 TRP 5 -4.932 -1.493 -5.290
34 HD1 TRP 5 HD1 TRP 5 -1.402 -2.313 -3.927
35 HE1 TRP 5 HE1 TRP 5 0.321 -1.059 -5.369
36 HE3 TRP 5 HE3 TRP 5 -4.607 0.325 -6.906
37 HZ2 TRP 5 HZ2 TRP 5 0.320 0.804 -7.489
38 HZ3 TRP 5 HZ3 TRP 5 -3.667 1.823 -8.616
39 HH2 TRP 5 HH2 TRP 5 -1.253 2.057 -8.900
40 H SER 6 HN SER 6 -2.678 -1.420 -1.487
41 HA SER 6 HA SER 6 -4.124 -3.394 0.084
42 1HB SER 6 HB2 SER 6 -2.640 -4.468 -1.796
43 2HB SER 6 HB1 SER 6 -1.310 -4.067 -0.709
44 HG SER 6 HG SER 6 -1.825 -5.844 0.273
45 H ASP 7 HN ASP 7 -1.413 -4.070 1.300
46 HA ASP 7 HA ASP 7 -1.187 -1.629 2.922
47 1HB ASP 7 HB2 ASP 7 -0.081 -3.457 4.545
48 2HB ASP 7 HB1 ASP 7 -1.807 -3.117 4.536
49 H GLY 8 HN GLY 8 0.988 -4.423 2.770
50 1HA GLY 8 HA2 GLY 8 3.251 -4.545 2.411
51 2HA GLY 8 HA1 GLY 8 2.953 -3.414 1.101
52 HA PRO 9 HA PRO 9 5.485 -1.384 4.521
53 1HB PRO 9 HB2 PRO 9 7.905 -1.324 3.353
54 2HB PRO 9 HB1 PRO 9 7.345 -2.733 4.262
55 1HG PRO 9 HG2 PRO 9 7.399 -2.288 1.303
56 2HG PRO 9 HG1 PRO 9 7.839 -3.738 2.224
57 1HD PRO 9 HD2 PRO 9 5.431 -3.412 0.965
58 2HD PRO 9 HD1 PRO 9 5.661 -4.434 2.397
59 H CYS 10 HN CYS 10 7.248 0.510 3.931
60 HA CYS 10 HA CYS 10 5.849 2.215 1.981
61 1HB CYS 10 HB2 CYS 10 7.248 2.827 4.567
62 2HB CYS 10 HB1 CYS 10 7.045 4.079 3.347
Start of MODEL 8
1 1H ALA 1 HT1 ALA 1 1.983 6.138 4.495
2 2H ALA 1 HT2 ALA 1 1.079 7.586 4.309
3 3H ALA 1 HT3 ALA 1 2.343 7.213 3.209
4 HA ALA 1 HA ALA 1 -0.314 6.039 3.476
5 1HB ALA 1 HB1 ALA 1 0.136 6.216 0.869
6 2HB ALA 1 HB2 ALA 1 1.287 7.439 1.407
7 3HB ALA 1 HB3 ALA 1 -0.421 7.594 1.818
8 H CYS 2 HN CYS 2 -0.641 3.922 3.177
9 HA CYS 2 HA CYS 2 1.640 2.204 2.743
10 1HB CYS 2 HB2 CYS 2 -0.814 2.065 4.149
11 2HB CYS 2 HB1 CYS 2 -0.852 0.804 2.935
12 H LEU 3 HN LEU 3 0.297 0.019 1.528
13 HA LEU 3 HA LEU 3 0.674 0.568 -1.182
14 1HB LEU 3 HB2 LEU 3 -0.293 -1.664 0.426
15 2HB LEU 3 HB1 LEU 3 -1.053 -1.596 -1.152
16 HG LEU 3 HG LEU 3 1.919 -1.728 -0.626
17 1HD1 LEU 3 HD11 LEU 3 0.323 -3.780 -0.283
18 2HD1 LEU 3 HD12 LEU 3 1.860 -3.962 -1.128
19 3HD1 LEU 3 HD13 LEU 3 0.360 -3.830 -2.045
20 1HD2 LEU 3 HD21 LEU 3 1.508 -0.465 -2.631
21 2HD2 LEU 3 HD22 LEU 3 0.357 -1.673 -3.203
22 3HD2 LEU 3 HD23 LEU 3 2.068 -2.077 -3.076
23 HA PRO 4 HA PRO 4 -2.864 2.853 -2.533
24 1HB PRO 4 HB2 PRO 4 -2.716 0.997 -4.871
25 2HB PRO 4 HB1 PRO 4 -2.843 2.760 -4.841
26 1HG PRO 4 HG2 PRO 4 -0.516 1.618 -5.366
27 2HG PRO 4 HG1 PRO 4 -0.590 3.040 -4.308
28 1HD PRO 4 HD2 PRO 4 -0.219 0.165 -3.599
29 2HD PRO 4 HD1 PRO 4 0.509 1.608 -2.867
30 H TRP 5 HN TRP 5 -2.924 -0.679 -2.720
31 HA TRP 5 HA TRP 5 -5.732 -0.611 -1.922
32 1HB TRP 5 HB2 TRP 5 -5.879 -2.640 -3.702
33 2HB TRP 5 HB1 TRP 5 -6.318 -0.979 -4.083
34 HD1 TRP 5 HD1 TRP 5 -5.092 0.087 -6.080
35 HE1 TRP 5 HE1 TRP 5 -3.056 -0.540 -7.524
36 HE3 TRP 5 HE3 TRP 5 -3.430 -3.942 -3.425
37 HZ2 TRP 5 HZ2 TRP 5 -1.013 -2.490 -7.534
38 HZ3 TRP 5 HZ3 TRP 5 -1.429 -5.138 -4.214
39 HH2 TRP 5 HH2 TRP 5 -0.245 -4.424 -6.227
40 H SER 6 HN SER 6 -3.253 -1.321 -0.560
41 HA SER 6 HA SER 6 -4.102 -3.672 0.720
42 1HB SER 6 HB2 SER 6 -3.117 -4.505 -1.538
43 2HB SER 6 HB1 SER 6 -1.554 -4.126 -0.816
44 HG SER 6 HG SER 6 -1.728 -6.012 0.083
45 H ASP 7 HN ASP 7 -1.181 -4.396 1.181
46 HA ASP 7 HA ASP 7 -0.518 -2.125 2.927
47 1HB ASP 7 HB2 ASP 7 0.737 -4.124 4.200
48 2HB ASP 7 HB1 ASP 7 -0.929 -3.675 4.550
49 H GLY 8 HN GLY 8 1.344 -5.050 2.173
50 1HA GLY 8 HA2 GLY 8 3.295 -5.310 0.955
51 2HA GLY 8 HA1 GLY 8 3.117 -3.657 0.385
52 HA PRO 9 HA PRO 9 6.632 -3.877 3.466
53 1HB PRO 9 HB2 PRO 9 8.526 -2.782 1.870
54 2HB PRO 9 HB1 PRO 9 8.174 -4.514 1.881
55 1HG PRO 9 HG2 PRO 9 7.260 -2.406 -0.039
56 2HG PRO 9 HG1 PRO 9 7.848 -4.046 -0.374
57 1HD PRO 9 HD2 PRO 9 5.210 -3.405 -0.350
58 2HD PRO 9 HD1 PRO 9 5.815 -5.009 0.112
59 H CYS 10 HN CYS 10 4.758 -2.128 3.933
60 HA CYS 10 HA CYS 10 5.298 0.565 3.237
61 1HB CYS 10 HB2 CYS 10 3.679 -0.648 5.480
62 2HB CYS 10 HB1 CYS 10 3.751 1.082 5.164
Start of MODEL 9
1 1H ALA 1 HT1 ALA 1 0.434 -0.481 6.094
2 2H ALA 1 HT2 ALA 1 1.464 0.760 5.507
3 3H ALA 1 HT3 ALA 1 1.290 -0.702 4.625
4 HA ALA 1 HA ALA 1 -0.841 -0.224 3.992
5 1HB ALA 1 HB1 ALA 1 -2.302 1.059 5.128
6 2HB ALA 1 HB2 ALA 1 -1.106 2.309 5.468
7 3HB ALA 1 HB3 ALA 1 -1.152 0.844 6.447
8 H CYS 2 HN CYS 2 1.692 0.365 2.959
9 HA CYS 2 HA CYS 2 1.555 3.094 1.975
10 1HB CYS 2 HB2 CYS 2 3.608 1.267 2.597
11 2HB CYS 2 HB1 CYS 2 3.702 1.560 0.874
12 H LEU 3 HN LEU 3 -0.155 0.666 1.175
13 HA LEU 3 HA LEU 3 0.199 0.983 -1.730
14 1HB LEU 3 HB2 LEU 3 -0.154 -1.424 -0.081
15 2HB LEU 3 HB1 LEU 3 -1.185 -1.359 -1.497
16 HG LEU 3 HG LEU 3 1.511 -0.652 -2.221
17 1HD1 LEU 3 HD11 LEU 3 2.167 -3.214 -1.841
18 2HD1 LEU 3 HD12 LEU 3 1.179 -2.957 -0.403
19 3HD1 LEU 3 HD13 LEU 3 2.585 -1.935 -0.701
20 1HD2 LEU 3 HD21 LEU 3 0.228 -1.386 -3.968
21 2HD2 LEU 3 HD22 LEU 3 -0.570 -2.630 -3.006
22 3HD2 LEU 3 HD23 LEU 3 1.085 -2.874 -3.565
23 HA PRO 4 HA PRO 4 -3.825 2.946 -1.431
24 1HB PRO 4 HB2 PRO 4 -3.818 2.341 -4.345
25 2HB PRO 4 HB1 PRO 4 -4.121 3.871 -3.514
26 1HG PRO 4 HG2 PRO 4 -1.818 3.455 -4.773
27 2HG PRO 4 HG1 PRO 4 -1.859 4.308 -3.218
28 1HD PRO 4 HD2 PRO 4 -1.061 1.489 -3.816
29 2HD PRO 4 HD1 PRO 4 -0.350 2.644 -2.669
30 H TRP 5 HN TRP 5 -3.253 -0.007 -3.291
31 HA TRP 5 HA TRP 5 -6.005 -0.863 -2.687
32 1HB TRP 5 HB2 TRP 5 -5.325 -2.591 -4.603
33 2HB TRP 5 HB1 TRP 5 -5.990 -1.003 -4.968
34 HD1 TRP 5 HD1 TRP 5 -2.508 -2.688 -4.666
35 HE1 TRP 5 HE1 TRP 5 -0.930 -1.553 -6.352
36 HE3 TRP 5 HE3 TRP 5 -5.668 0.918 -6.432
37 HZ2 TRP 5 HZ2 TRP 5 -1.014 0.590 -8.188
38 HZ3 TRP 5 HZ3 TRP 5 -4.843 2.472 -8.151
39 HH2 TRP 5 HH2 TRP 5 -2.563 2.311 -9.009
40 H SER 6 HN SER 6 -3.241 -1.150 -1.242
41 HA SER 6 HA SER 6 -3.795 -3.754 -0.193
42 1HB SER 6 HB2 SER 6 -2.287 -3.944 -2.363
43 2HB SER 6 HB1 SER 6 -1.007 -3.475 -1.244
44 HG SER 6 HG SER 6 -2.752 -5.701 -1.004
45 H ASP 7 HN ASP 7 -0.906 -3.876 0.705
46 HA ASP 7 HA ASP 7 -0.989 -1.657 2.633
47 1HB ASP 7 HB2 ASP 7 -0.776 -4.574 3.089
48 2HB ASP 7 HB1 ASP 7 0.301 -3.567 4.052
49 H GLY 8 HN GLY 8 1.436 -4.214 2.358
50 1HA GLY 8 HA2 GLY 8 3.725 -4.050 2.146
51 2HA GLY 8 HA1 GLY 8 3.314 -3.133 0.706
52 HA PRO 9 HA PRO 9 4.307 -0.092 4.403
53 1HB PRO 9 HB2 PRO 9 6.287 -1.044 6.011
54 2HB PRO 9 HB1 PRO 9 4.568 -1.235 6.375
55 1HG PRO 9 HG2 PRO 9 6.475 -3.190 5.148
56 2HG PRO 9 HG1 PRO 9 5.233 -3.463 6.384
57 1HD PRO 9 HD2 PRO 9 4.851 -4.106 3.789
58 2HD PRO 9 HD1 PRO 9 3.526 -3.549 4.832
59 H CYS 10 HN CYS 10 5.530 1.441 3.518
60 HA CYS 10 HA CYS 10 7.538 0.981 1.635
61 1HB CYS 10 HB2 CYS 10 6.863 3.410 3.290
62 2HB CYS 10 HB1 CYS 10 8.128 3.424 2.067
Start of MODEL 10
1 1H ALA 1 HT1 ALA 1 2.132 5.021 3.992
2 2H ALA 1 HT2 ALA 1 3.477 6.081 3.882
3 3H ALA 1 HT3 ALA 1 3.684 4.399 3.615
4 HA ALA 1 HA ALA 1 1.862 5.989 1.974
5 1HB ALA 1 HB1 ALA 1 4.349 6.843 2.155
6 2HB ALA 1 HB2 ALA 1 3.516 6.768 0.603
7 3HB ALA 1 HB3 ALA 1 4.649 5.495 1.059
8 H CYS 2 HN CYS 2 1.417 3.407 2.866
9 HA CYS 2 HA CYS 2 2.477 1.448 1.114
10 1HB CYS 2 HB2 CYS 2 0.887 1.540 3.446
11 2HB CYS 2 HB1 CYS 2 -0.048 0.692 2.231
12 H LEU 3 HN LEU 3 0.516 -0.024 0.133
13 HA LEU 3 HA LEU 3 -0.434 1.535 -2.093
14 1HB LEU 3 HB2 LEU 3 -0.290 -1.333 -1.365
15 2HB LEU 3 HB1 LEU 3 -1.557 -0.879 -2.482
16 HG LEU 3 HG LEU 3 0.951 -1.613 -3.209
17 1HD1 LEU 3 HD11 LEU 3 -0.054 0.266 -5.133
18 2HD1 LEU 3 HD12 LEU 3 -1.375 -0.672 -4.438
19 3HD1 LEU 3 HD13 LEU 3 -0.013 -1.496 -5.196
20 1HD2 LEU 3 HD21 LEU 3 1.815 0.525 -2.176
21 2HD2 LEU 3 HD22 LEU 3 0.977 1.382 -3.470
22 3HD2 LEU 3 HD23 LEU 3 2.262 0.238 -3.858
23 HA PRO 4 HA PRO 4 -4.569 2.537 -0.971
24 1HB PRO 4 HB2 PRO 4 -5.403 0.998 -3.394
25 2HB PRO 4 HB1 PRO 4 -5.837 2.640 -2.904
26 1HG PRO 4 HG2 PRO 4 -4.062 2.279 -4.828
27 2HG PRO 4 HG1 PRO 4 -3.787 3.523 -3.591
28 1HD PRO 4 HD2 PRO 4 -2.552 0.811 -3.860
29 2HD PRO 4 HD1 PRO 4 -1.808 2.343 -3.358
30 H TRP 5 HN TRP 5 -4.084 -0.773 -2.142
31 HA TRP 5 HA TRP 5 -6.152 -1.695 -0.269
32 1HB TRP 5 HB2 TRP 5 -5.289 -3.829 -1.946
33 2HB TRP 5 HB1 TRP 5 -6.857 -3.035 -1.911
34 HD1 TRP 5 HD1 TRP 5 -7.423 -1.365 -3.874
35 HE1 TRP 5 HE1 TRP 5 -6.275 -0.834 -6.116
36 HE3 TRP 5 HE3 TRP 5 -2.907 -3.580 -3.011
37 HZ2 TRP 5 HZ2 TRP 5 -3.776 -1.296 -7.355
38 HZ3 TRP 5 HZ3 TRP 5 -1.189 -3.498 -4.771
39 HH2 TRP 5 HH2 TRP 5 -1.616 -2.376 -6.899
40 H SER 6 HN SER 6 -3.534 -0.950 0.607
41 HA SER 6 HA SER 6 -1.881 -1.676 1.988
42 1HB SER 6 HB2 SER 6 -3.495 -2.677 3.387
43 2HB SER 6 HB1 SER 6 -3.832 -3.959 2.224
44 HG SER 6 HG SER 6 -2.514 -4.649 3.992
45 H ASP 7 HN ASP 7 -0.109 -1.862 0.741
46 HA ASP 7 HA ASP 7 0.924 -4.431 0.170
47 1HB ASP 7 HB2 ASP 7 -0.624 -3.163 -1.934
48 2HB ASP 7 HB1 ASP 7 1.040 -3.440 -2.440
49 H GLY 8 HN GLY 8 3.005 -4.177 0.603
50 1HA GLY 8 HA2 GLY 8 5.096 -3.184 -0.328
51 2HA GLY 8 HA1 GLY 8 4.290 -1.631 -0.169
52 HA PRO 9 HA PRO 9 6.568 -1.806 3.729
53 1HB PRO 9 HB2 PRO 9 6.581 0.827 4.232
54 2HB PRO 9 HB1 PRO 9 7.613 0.124 2.980
55 1HG PRO 9 HG2 PRO 9 5.001 1.558 2.697
56 2HG PRO 9 HG1 PRO 9 6.473 1.710 1.720
57 1HD PRO 9 HD2 PRO 9 4.294 0.208 0.990
58 2HD PRO 9 HD1 PRO 9 5.949 -0.110 0.433
59 H CYS 10 HN CYS 10 4.071 -2.739 3.966
60 HA CYS 10 HA CYS 10 2.535 -0.990 5.713
61 1HB CYS 10 HB2 CYS 10 2.015 -3.585 4.317
62 2HB CYS 10 HB1 CYS 10 1.028 -3.147 5.707
Start of MODEL 11
1 1H ALA 1 HT1 ALA 1 1.225 -0.556 5.363
2 2H ALA 1 HT2 ALA 1 2.297 0.627 4.731
3 3H ALA 1 HT3 ALA 1 1.713 -0.632 3.722
4 HA ALA 1 HA ALA 1 -0.399 0.211 3.664
5 1HB ALA 1 HB1 ALA 1 -0.665 0.672 6.020
6 2HB ALA 1 HB2 ALA 1 -1.114 2.096 5.080
7 3HB ALA 1 HB3 ALA 1 0.443 2.040 5.906
8 H CYS 2 HN CYS 2 1.780 0.606 2.054
9 HA CYS 2 HA CYS 2 2.030 3.437 1.607
10 1HB CYS 2 HB2 CYS 2 3.689 1.202 1.225
11 2HB CYS 2 HB1 CYS 2 3.350 1.849 -0.367
12 H LEU 3 HN LEU 3 0.007 1.044 0.645
13 HA LEU 3 HA LEU 3 -1.038 2.709 -1.491
14 1HB LEU 3 HB2 LEU 3 -0.045 -0.088 -1.907
15 2HB LEU 3 HB1 LEU 3 -1.260 0.618 -2.955
16 HG LEU 3 HG LEU 3 1.541 1.655 -2.528
17 1HD1 LEU 3 HD11 LEU 3 1.782 -0.168 -3.924
18 2HD1 LEU 3 HD12 LEU 3 1.551 1.154 -5.069
19 3HD1 LEU 3 HD13 LEU 3 0.209 0.076 -4.685
20 1HD2 LEU 3 HD21 LEU 3 0.146 3.538 -2.867
21 2HD2 LEU 3 HD22 LEU 3 -0.769 2.719 -4.133
22 3HD2 LEU 3 HD23 LEU 3 0.907 3.190 -4.419
23 HA PRO 4 HA PRO 4 -4.952 1.605 0.228
24 1HB PRO 4 HB2 PRO 4 -5.943 1.649 -2.572
25 2HB PRO 4 HB1 PRO 4 -6.509 2.553 -1.163
26 1HG PRO 4 HG2 PRO 4 -5.101 3.761 -3.068
27 2HG PRO 4 HG1 PRO 4 -4.838 4.155 -1.358
28 1HD PRO 4 HD2 PRO 4 -3.197 2.444 -3.185
29 2HD PRO 4 HD1 PRO 4 -2.669 3.603 -1.947
30 H TRP 5 HN TRP 5 -4.574 0.106 -2.985
31 HA TRP 5 HA TRP 5 -5.766 -2.349 -1.938
32 1HB TRP 5 HB2 TRP 5 -5.374 -2.877 -4.577
33 2HB TRP 5 HB1 TRP 5 -6.831 -2.142 -3.922
34 HD1 TRP 5 HD1 TRP 5 -7.530 0.044 -5.052
35 HE1 TRP 5 HE1 TRP 5 -6.377 1.812 -6.524
36 HE3 TRP 5 HE3 TRP 5 -2.757 -1.769 -4.905
37 HZ2 TRP 5 HZ2 TRP 5 -3.785 2.365 -7.494
38 HZ3 TRP 5 HZ3 TRP 5 -0.997 -0.563 -6.131
39 HH2 TRP 5 HH2 TRP 5 -1.502 1.462 -7.398
40 H SER 6 HN SER 6 -3.052 -1.528 -1.245
41 HA SER 6 HA SER 6 -1.757 -3.994 -1.394
42 1HB SER 6 HB2 SER 6 0.057 -3.558 -2.945
43 2HB SER 6 HB1 SER 6 -1.477 -3.380 -3.793
44 HG SER 6 HG SER 6 0.450 -1.506 -3.199
45 H ASP 7 HN ASP 7 -2.240 -2.403 0.668
46 HA ASP 7 HA ASP 7 -0.848 -0.392 1.604
47 1HB ASP 7 HB2 ASP 7 -1.324 -3.050 2.917
48 2HB ASP 7 HB1 ASP 7 -0.475 -1.773 3.781
49 H GLY 8 HN GLY 8 0.728 -3.448 2.465
50 1HA GLY 8 HA2 GLY 8 2.935 -4.072 2.437
51 2HA GLY 8 HA1 GLY 8 3.131 -2.995 1.064
52 HA PRO 9 HA PRO 9 4.516 -0.958 5.261
53 1HB PRO 9 HB2 PRO 9 6.539 -2.439 6.287
54 2HB PRO 9 HB1 PRO 9 4.852 -2.672 6.760
55 1HG PRO 9 HG2 PRO 9 6.502 -4.225 4.803
56 2HG PRO 9 HG1 PRO 9 5.375 -4.820 6.036
57 1HD PRO 9 HD2 PRO 9 4.705 -4.614 3.416
58 2HD PRO 9 HD1 PRO 9 3.526 -4.405 4.726
59 H CYS 10 HN CYS 10 5.406 0.614 3.979
60 HA CYS 10 HA CYS 10 7.584 0.233 2.225
61 1HB CYS 10 HB2 CYS 10 6.026 2.508 3.250
62 2HB CYS 10 HB1 CYS 10 7.687 2.903 2.823
Start of MODEL 12
1 1H ALA 1 HT1 ALA 1 3.686 5.903 0.237
2 2H ALA 1 HT2 ALA 1 3.903 7.038 1.506
3 3H ALA 1 HT3 ALA 1 2.340 6.769 0.851
4 HA ALA 1 HA ALA 1 3.985 4.902 2.415
5 1HB ALA 1 HB1 ALA 1 2.446 6.892 3.345
6 2HB ALA 1 HB2 ALA 1 2.653 5.354 4.183
7 3HB ALA 1 HB3 ALA 1 1.228 5.627 3.181
8 H CYS 2 HN CYS 2 2.576 2.989 3.086
9 HA CYS 2 HA CYS 2 2.121 1.250 1.137
10 1HB CYS 2 HB2 CYS 2 -0.036 0.791 2.936
11 2HB CYS 2 HB1 CYS 2 1.523 -0.005 2.854
12 H LEU 3 HN LEU 3 0.374 0.473 -0.108
13 HA LEU 3 HA LEU 3 -1.466 2.584 -0.925
14 1HB LEU 3 HB2 LEU 3 -0.748 -0.078 -2.141
15 2HB LEU 3 HB1 LEU 3 -1.998 0.965 -2.789
16 HG LEU 3 HG LEU 3 0.812 1.960 -2.432
17 1HD1 LEU 3 HD11 LEU 3 0.390 -0.229 -3.911
18 2HD1 LEU 3 HD12 LEU 3 1.559 1.018 -4.347
19 3HD1 LEU 3 HD13 LEU 3 -0.038 1.006 -5.096
20 1HD2 LEU 3 HD21 LEU 3 -1.302 3.399 -2.929
21 2HD2 LEU 3 HD22 LEU 3 -1.122 2.758 -4.562
22 3HD2 LEU 3 HD23 LEU 3 0.187 3.684 -3.829
23 HA PRO 4 HA PRO 4 -5.099 1.014 1.003
24 1HB PRO 4 HB2 PRO 4 -6.502 1.286 -1.593
25 2HB PRO 4 HB1 PRO 4 -6.865 2.032 -0.034
26 1HG PRO 4 HG2 PRO 4 -5.811 3.459 -2.028
27 2HG PRO 4 HG1 PRO 4 -5.331 3.739 -0.344
28 1HD PRO 4 HD2 PRO 4 -3.879 2.277 -2.514
29 2HD PRO 4 HD1 PRO 4 -3.240 3.360 -1.260
30 H TRP 5 HN TRP 5 -4.839 -0.145 -2.360
31 HA TRP 5 HA TRP 5 -5.814 -2.767 -1.471
32 1HB TRP 5 HB2 TRP 5 -5.739 -2.997 -4.173
33 2HB TRP 5 HB1 TRP 5 -7.140 -2.425 -3.276
34 HD1 TRP 5 HD1 TRP 5 -8.131 -0.285 -4.242
35 HE1 TRP 5 HE1 TRP 5 -7.253 1.724 -5.589
36 HE3 TRP 5 HE3 TRP 5 -3.189 -1.567 -4.482
37 HZ2 TRP 5 HZ2 TRP 5 -4.791 2.644 -6.618
38 HZ3 TRP 5 HZ3 TRP 5 -1.638 -0.069 -5.667
39 HH2 TRP 5 HH2 TRP 5 -2.424 1.993 -6.713
40 H SER 6 HN SER 6 -3.100 -1.808 -1.013
41 HA SER 6 HA SER 6 -1.646 -4.104 -1.517
42 1HB SER 6 HB2 SER 6 -1.642 -3.674 -3.864
43 2HB SER 6 HB1 SER 6 -1.257 -1.970 -3.622
44 HG SER 6 HG SER 6 0.788 -2.459 -3.412
45 H ASP 7 HN ASP 7 -1.741 -2.840 0.709
46 HA ASP 7 HA ASP 7 -0.315 -0.654 1.390
47 1HB ASP 7 HB2 ASP 7 0.418 -2.089 3.476
48 2HB ASP 7 HB1 ASP 7 -1.272 -1.665 3.223
49 H GLY 8 HN GLY 8 1.250 -3.869 1.534
50 1HA GLY 8 HA2 GLY 8 3.348 -4.456 0.679
51 2HA GLY 8 HA1 GLY 8 3.621 -2.772 0.257
52 HA PRO 9 HA PRO 9 6.394 -3.462 3.825
53 1HB PRO 9 HB2 PRO 9 8.070 -1.404 3.216
54 2HB PRO 9 HB1 PRO 9 8.207 -3.011 2.492
55 1HG PRO 9 HG2 PRO 9 6.950 -0.532 1.381
56 2HG PRO 9 HG1 PRO 9 7.985 -1.722 0.571
57 1HD PRO 9 HD2 PRO 9 5.298 -1.712 0.286
58 2HD PRO 9 HD1 PRO 9 6.249 -3.211 0.264
59 H CYS 10 HN CYS 10 5.205 -2.813 5.550
60 HA CYS 10 HA CYS 10 5.422 -0.073 6.379
61 1HB CYS 10 HB2 CYS 10 2.842 -1.168 5.367
62 2HB CYS 10 HB1 CYS 10 2.791 -0.129 6.787
Start of MODEL 13
1 1H ALA 1 HT1 ALA 1 3.078 6.389 4.571
2 2H ALA 1 HT2 ALA 1 2.909 4.683 4.646
3 3H ALA 1 HT3 ALA 1 1.576 5.660 4.184
4 HA ALA 1 HA ALA 1 2.458 6.167 2.167
5 1HB ALA 1 HB1 ALA 1 4.640 6.854 2.748
6 2HB ALA 1 HB2 ALA 1 4.841 5.523 1.610
7 3HB ALA 1 HB3 ALA 1 5.072 5.249 3.337
8 H CYS 2 HN CYS 2 1.151 3.863 3.378
9 HA CYS 2 HA CYS 2 2.225 1.541 2.049
10 1HB CYS 2 HB2 CYS 2 0.527 2.061 4.247
11 2HB CYS 2 HB1 CYS 2 -0.422 1.168 3.075
12 H LEU 3 HN LEU 3 0.685 0.175 0.729
13 HA LEU 3 HA LEU 3 -0.480 1.870 -1.329
14 1HB LEU 3 HB2 LEU 3 0.858 -0.633 -1.286
15 2HB LEU 3 HB1 LEU 3 -0.750 -0.907 -1.931
16 HG LEU 3 HG LEU 3 1.023 1.268 -3.009
17 1HD1 LEU 3 HD11 LEU 3 0.844 -1.257 -4.506
18 2HD1 LEU 3 HD12 LEU 3 1.830 -1.306 -3.044
19 3HD1 LEU 3 HD13 LEU 3 2.195 -0.139 -4.315
20 1HD2 LEU 3 HD21 LEU 3 -1.557 0.018 -3.722
21 2HD2 LEU 3 HD22 LEU 3 -0.472 0.409 -5.057
22 3HD2 LEU 3 HD23 LEU 3 -0.995 1.675 -3.945
23 HA PRO 4 HA PRO 4 -4.610 1.404 0.332
24 1HB PRO 4 HB2 PRO 4 -5.350 2.007 -2.485
25 2HB PRO 4 HB1 PRO 4 -5.880 2.788 -0.991
26 1HG PRO 4 HG2 PRO 4 -4.136 3.990 -2.596
27 2HG PRO 4 HG1 PRO 4 -3.959 4.084 -0.834
28 1HD PRO 4 HD2 PRO 4 -2.462 2.405 -2.804
29 2HD PRO 4 HD1 PRO 4 -1.869 3.248 -1.358
30 H TRP 5 HN TRP 5 -3.760 0.074 -2.839
31 HA TRP 5 HA TRP 5 -5.865 -1.873 -2.807
32 1HB TRP 5 HB2 TRP 5 -3.517 -2.244 -4.595
33 2HB TRP 5 HB1 TRP 5 -5.234 -2.383 -4.952
34 HD1 TRP 5 HD1 TRP 5 -2.554 -0.426 -6.100
35 HE1 TRP 5 HE1 TRP 5 -3.243 1.947 -6.814
36 HE3 TRP 5 HE3 TRP 5 -7.095 -0.168 -3.772
37 HZ2 TRP 5 HZ2 TRP 5 -5.422 3.699 -6.438
38 HZ3 TRP 5 HZ3 TRP 5 -8.419 1.894 -3.996
39 HH2 TRP 5 HH2 TRP 5 -7.598 3.787 -5.301
40 H SER 6 HN SER 6 -2.557 -1.750 -1.775
41 HA SER 6 HA SER 6 -2.812 -4.208 -0.345
42 1HB SER 6 HB2 SER 6 -0.973 -4.114 -2.747
43 2HB SER 6 HB1 SER 6 -0.862 -5.329 -1.473
44 HG SER 6 HG SER 6 -2.911 -4.916 -3.362
45 H ASP 7 HN ASP 7 -2.156 -3.212 1.484
46 HA ASP 7 HA ASP 7 -0.435 -1.206 1.953
47 1HB ASP 7 HB2 ASP 7 0.225 -2.569 4.103
48 2HB ASP 7 HB1 ASP 7 -1.423 -1.992 3.884
49 H GLY 8 HN GLY 8 0.712 -4.589 2.150
50 1HA GLY 8 HA2 GLY 8 2.827 -5.460 1.918
51 2HA GLY 8 HA1 GLY 8 2.891 -4.435 0.494
52 HA PRO 9 HA PRO 9 6.335 -2.491 2.526
53 1HB PRO 9 HB2 PRO 9 6.564 -0.301 0.934
54 2HB PRO 9 HB1 PRO 9 7.103 -1.911 0.441
55 1HG PRO 9 HG2 PRO 9 4.569 -0.470 -0.239
56 2HG PRO 9 HG1 PRO 9 5.625 -1.433 -1.289
57 1HD PRO 9 HD2 PRO 9 3.325 -2.411 -0.253
58 2HD PRO 9 HD1 PRO 9 4.744 -3.433 -0.553
59 H CYS 10 HN CYS 10 5.603 -1.829 4.512
60 HA CYS 10 HA CYS 10 4.332 0.828 4.610
61 1HB CYS 10 HB2 CYS 10 3.389 -1.634 5.677
62 2HB CYS 10 HB1 CYS 10 3.850 -0.612 7.035
Start of MODEL 14
1 1H ALA 1 HT1 ALA 1 -2.666 0.669 4.584
2 2H ALA 1 HT2 ALA 1 -2.404 0.503 2.896
3 3H ALA 1 HT3 ALA 1 -3.029 1.971 3.529
4 HA ALA 1 HA ALA 1 -1.040 2.466 4.604
5 1HB ALA 1 HB1 ALA 1 0.434 0.139 3.553
6 2HB ALA 1 HB2 ALA 1 -0.696 -0.188 4.867
7 3HB ALA 1 HB3 ALA 1 0.597 0.990 5.088
8 H CYS 2 HN CYS 2 1.377 2.229 3.263
9 HA CYS 2 HA CYS 2 1.342 4.030 1.323
10 1HB CYS 2 HB2 CYS 2 3.243 2.141 0.415
11 2HB CYS 2 HB1 CYS 2 3.506 3.603 1.338
12 H LEU 3 HN LEU 3 0.640 0.750 0.935
13 HA LEU 3 HA LEU 3 0.548 0.589 -1.865
14 1HB LEU 3 HB2 LEU 3 -0.130 -1.087 0.381
15 2HB LEU 3 HB1 LEU 3 -1.352 -1.222 -0.867
16 HG LEU 3 HG LEU 3 0.637 -2.861 -0.879
17 1HD1 LEU 3 HD11 LEU 3 0.404 -1.646 -3.555
18 2HD1 LEU 3 HD12 LEU 3 -1.109 -2.087 -2.764
19 3HD1 LEU 3 HD13 LEU 3 0.134 -3.309 -3.032
20 1HD2 LEU 3 HD21 LEU 3 2.156 -0.631 -0.863
21 2HD2 LEU 3 HD22 LEU 3 2.073 -0.952 -2.596
22 3HD2 LEU 3 HD23 LEU 3 2.693 -2.186 -1.499
23 HA PRO 4 HA PRO 4 -2.967 3.158 -2.817
24 1HB PRO 4 HB2 PRO 4 -3.151 1.244 -5.100
25 2HB PRO 4 HB1 PRO 4 -3.169 3.011 -5.110
26 1HG PRO 4 HG2 PRO 4 -0.987 1.692 -5.845
27 2HG PRO 4 HG1 PRO 4 -0.861 3.165 -4.863
28 1HD PRO 4 HD2 PRO 4 -0.556 0.310 -4.048
29 2HD PRO 4 HD1 PRO 4 0.312 1.748 -3.474
30 H TRP 5 HN TRP 5 -3.119 -0.370 -2.883
31 HA TRP 5 HA TRP 5 -5.821 -0.228 -1.781
32 1HB TRP 5 HB2 TRP 5 -6.087 -2.362 -3.491
33 2HB TRP 5 HB1 TRP 5 -6.712 -0.744 -3.787
34 HD1 TRP 5 HD1 TRP 5 -5.691 0.594 -5.782
35 HE1 TRP 5 HE1 TRP 5 -3.912 0.068 -7.567
36 HE3 TRP 5 HE3 TRP 5 -3.798 -3.716 -3.801
37 HZ2 TRP 5 HZ2 TRP 5 -1.967 -1.913 -8.071
38 HZ3 TRP 5 HZ3 TRP 5 -1.981 -4.869 -4.994
39 HH2 TRP 5 HH2 TRP 5 -1.085 -3.984 -7.086
40 H SER 6 HN SER 6 -3.252 -0.890 -0.632
41 HA SER 6 HA SER 6 -3.977 -3.327 0.657
42 1HB SER 6 HB2 SER 6 -1.374 -3.385 -0.876
43 2HB SER 6 HB1 SER 6 -2.158 -4.714 -0.022
44 HG SER 6 HG SER 6 -2.766 -5.082 -2.046
45 H ASP 7 HN ASP 7 -1.041 -3.750 1.282
46 HA ASP 7 HA ASP 7 -0.705 -1.451 3.088
47 1HB ASP 7 HB2 ASP 7 -1.364 -3.501 4.295
48 2HB ASP 7 HB1 ASP 7 0.034 -4.336 3.626
49 H GLY 8 HN GLY 8 1.288 -4.230 2.068
50 1HA GLY 8 HA2 GLY 8 3.374 -4.311 1.102
51 2HA GLY 8 HA1 GLY 8 3.130 -2.647 0.592
52 HA PRO 9 HA PRO 9 6.111 -3.096 4.340
53 1HB PRO 9 HB2 PRO 9 8.513 -3.226 3.086
54 2HB PRO 9 HB1 PRO 9 7.588 -4.664 3.535
55 1HG PRO 9 HG2 PRO 9 7.790 -3.294 0.880
56 2HG PRO 9 HG1 PRO 9 7.827 -5.028 1.250
57 1HD PRO 9 HD2 PRO 9 5.606 -3.782 0.330
58 2HD PRO 9 HD1 PRO 9 5.534 -5.165 1.441
59 H CYS 10 HN CYS 10 7.035 -1.281 5.182
60 HA CYS 10 HA CYS 10 8.069 0.818 3.504
61 1HB CYS 10 HB2 CYS 10 5.391 1.039 4.820
62 2HB CYS 10 HB1 CYS 10 6.408 2.471 4.705
Start of MODEL 15
1 1H ALA 1 HT1 ALA 1 0.125 5.330 3.942
2 2H ALA 1 HT2 ALA 1 1.015 6.760 4.271
3 3H ALA 1 HT3 ALA 1 1.822 5.248 4.170
4 HA ALA 1 HA ALA 1 0.307 6.378 1.932
5 1HB ALA 1 HB1 ALA 1 1.825 8.077 2.145
6 2HB ALA 1 HB2 ALA 1 2.755 6.946 1.162
7 3HB ALA 1 HB3 ALA 1 3.041 7.046 2.900
8 H CYS 2 HN CYS 2 0.386 3.688 2.832
9 HA CYS 2 HA CYS 2 2.374 2.301 1.271
10 1HB CYS 2 HB2 CYS 2 0.747 1.740 3.513
11 2HB CYS 2 HB1 CYS 2 0.285 0.609 2.257
12 H LEU 3 HN LEU 3 0.867 0.106 0.394
13 HA LEU 3 HA LEU 3 0.064 0.922 -2.140
14 1HB LEU 3 HB2 LEU 3 -0.205 -1.555 -0.538
15 2HB LEU 3 HB1 LEU 3 -1.279 -1.396 -1.915
16 HG LEU 3 HG LEU 3 1.730 -1.197 -2.066
17 1HD1 LEU 3 HD11 LEU 3 0.901 -3.452 -1.424
18 2HD1 LEU 3 HD12 LEU 3 1.717 -3.408 -2.987
19 3HD1 LEU 3 HD13 LEU 3 -0.044 -3.480 -2.913
20 1HD2 LEU 3 HD21 LEU 3 1.150 -1.619 -4.535
21 2HD2 LEU 3 HD22 LEU 3 0.894 -0.001 -3.881
22 3HD2 LEU 3 HD23 LEU 3 -0.475 -1.093 -4.094
23 HA PRO 4 HA PRO 4 -3.930 2.760 -1.673
24 1HB PRO 4 HB2 PRO 4 -4.602 1.302 -4.179
25 2HB PRO 4 HB1 PRO 4 -4.738 3.024 -3.807
26 1HG PRO 4 HG2 PRO 4 -2.790 2.134 -5.381
27 2HG PRO 4 HG1 PRO 4 -2.485 3.422 -4.201
28 1HD PRO 4 HD2 PRO 4 -1.765 0.524 -4.075
29 2HD PRO 4 HD1 PRO 4 -0.845 1.941 -3.530
30 H TRP 5 HN TRP 5 -4.006 -0.570 -2.943
31 HA TRP 5 HA TRP 5 -6.301 -1.100 -1.173
32 1HB TRP 5 HB2 TRP 5 -6.354 -3.144 -2.998
33 2HB TRP 5 HB1 TRP 5 -7.310 -1.670 -3.107
34 HD1 TRP 5 HD1 TRP 5 -6.966 -0.236 -5.219
35 HE1 TRP 5 HE1 TRP 5 -5.307 -0.248 -7.185
36 HE3 TRP 5 HE3 TRP 5 -3.688 -3.752 -3.490
37 HZ2 TRP 5 HZ2 TRP 5 -2.921 -1.573 -7.907
38 HZ3 TRP 5 HZ3 TRP 5 -1.741 -4.335 -4.878
39 HH2 TRP 5 HH2 TRP 5 -1.367 -3.266 -7.041
40 H SER 6 HN SER 6 -3.377 -1.313 -0.589
41 HA SER 6 HA SER 6 -3.479 -3.841 0.731
42 1HB SER 6 HB2 SER 6 -2.786 -4.562 -1.528
43 2HB SER 6 HB1 SER 6 -1.414 -3.456 -1.453
44 HG SER 6 HG SER 6 -0.555 -5.307 -0.762
45 H ASP 7 HN ASP 7 -0.452 -3.848 0.729
46 HA ASP 7 HA ASP 7 0.157 -1.377 2.138
47 1HB ASP 7 HB2 ASP 7 -0.336 -3.930 3.457
48 2HB ASP 7 HB1 ASP 7 1.261 -3.286 3.829
49 H GLY 8 HN GLY 8 1.795 -4.524 2.204
50 1HA GLY 8 HA2 GLY 8 3.713 -5.224 1.097
51 2HA GLY 8 HA1 GLY 8 3.728 -3.703 0.220
52 HA PRO 9 HA PRO 9 7.276 -2.883 2.813
53 1HB PRO 9 HB2 PRO 9 7.777 -0.362 1.944
54 2HB PRO 9 HB1 PRO 9 8.194 -1.800 1.004
55 1HG PRO 9 HG2 PRO 9 5.833 0.020 0.734
56 2HG PRO 9 HG1 PRO 9 6.855 -0.683 -0.534
57 1HD PRO 9 HD2 PRO 9 4.428 -1.698 0.114
58 2HD PRO 9 HD1 PRO 9 5.766 -2.713 -0.462
59 H CYS 10 HN CYS 10 5.256 -2.875 4.427
60 HA CYS 10 HA CYS 10 5.292 -0.233 5.723
61 1HB CYS 10 HB2 CYS 10 2.991 -1.871 4.903
62 2HB CYS 10 HB1 CYS 10 2.914 -1.301 6.566
Start of MODEL 16
1 1H ALA 1 HT1 ALA 1 3.976 6.666 0.189
2 2H ALA 1 HT2 ALA 1 5.020 5.683 1.132
3 3H ALA 1 HT3 ALA 1 4.725 7.310 1.590
4 HA ALA 1 HA ALA 1 3.522 5.816 2.968
5 1HB ALA 1 HB1 ALA 1 2.308 7.724 2.927
6 2HB ALA 1 HB2 ALA 1 1.142 6.687 2.105
7 3HB ALA 1 HB3 ALA 1 2.196 7.747 1.167
8 H CYS 2 HN CYS 2 4.115 3.672 2.020
9 HA CYS 2 HA CYS 2 3.096 2.256 0.032
10 1HB CYS 2 HB2 CYS 2 2.709 0.554 2.277
11 2HB CYS 2 HB1 CYS 2 4.051 0.611 1.153
12 H LEU 3 HN LEU 3 1.297 0.912 -0.376
13 HA LEU 3 HA LEU 3 -1.178 1.872 0.873
14 1HB LEU 3 HB2 LEU 3 -0.986 0.318 -1.697
15 2HB LEU 3 HB1 LEU 3 -2.334 1.269 -1.109
16 HG LEU 3 HG LEU 3 0.058 2.112 -2.616
17 1HD1 LEU 3 HD11 LEU 3 -2.568 3.522 -2.368
18 2HD1 LEU 3 HD12 LEU 3 -2.403 2.056 -3.335
19 3HD1 LEU 3 HD13 LEU 3 -1.447 3.485 -3.729
20 1HD2 LEU 3 HD21 LEU 3 0.758 3.432 -0.904
21 2HD2 LEU 3 HD22 LEU 3 -0.847 3.544 -0.182
22 3HD2 LEU 3 HD23 LEU 3 -0.454 4.499 -1.611
23 HA PRO 4 HA PRO 4 -0.952 -2.152 2.952
24 1HB PRO 4 HB2 PRO 4 -3.562 -1.156 3.965
25 2HB PRO 4 HB1 PRO 4 -2.182 -1.808 4.856
26 1HG PRO 4 HG2 PRO 4 -2.691 0.800 4.882
27 2HG PRO 4 HG1 PRO 4 -1.022 0.204 4.788
28 1HD PRO 4 HD2 PRO 4 -2.766 1.312 2.623
29 2HD PRO 4 HD1 PRO 4 -1.032 1.565 2.914
30 H TRP 5 HN TRP 5 -3.286 -0.919 0.744
31 HA TRP 5 HA TRP 5 -4.432 -3.617 0.485
32 1HB TRP 5 HB2 TRP 5 -6.356 -2.022 -0.607
33 2HB TRP 5 HB1 TRP 5 -6.367 -2.612 1.051
34 HD1 TRP 5 HD1 TRP 5 -5.026 0.502 -0.851
35 HE1 TRP 5 HE1 TRP 5 -5.326 2.549 0.678
36 HE3 TRP 5 HE3 TRP 5 -6.916 -1.841 3.278
37 HZ2 TRP 5 HZ2 TRP 5 -6.241 3.098 3.292
38 HZ3 TRP 5 HZ3 TRP 5 -7.477 -0.484 5.252
39 HH2 TRP 5 HH2 TRP 5 -7.145 1.935 5.258
40 H SER 6 HN SER 6 -2.261 -1.782 -1.010
41 HA SER 6 HA SER 6 -2.584 -3.089 -3.489
42 1HB SER 6 HB2 SER 6 -3.759 -0.381 -3.239
43 2HB SER 6 HB1 SER 6 -2.837 -0.711 -4.706
44 HG SER 6 HG SER 6 -4.180 -2.578 -4.989
45 H ASP 7 HN ASP 7 -0.532 -2.158 -1.432
46 HA ASP 7 HA ASP 7 1.656 -2.064 -3.134
47 1HB ASP 7 HB2 ASP 7 0.385 0.397 -3.138
48 2HB ASP 7 HB1 ASP 7 1.743 0.626 -2.043
49 H GLY 8 HN GLY 8 1.894 -3.628 -1.322
50 1HA GLY 8 HA2 GLY 8 3.031 -4.298 0.555
51 2HA GLY 8 HA1 GLY 8 3.888 -2.767 0.458
52 HA PRO 9 HA PRO 9 0.673 -2.713 3.953
53 1HB PRO 9 HB2 PRO 9 1.596 -4.262 5.915
54 2HB PRO 9 HB1 PRO 9 0.695 -4.953 4.560
55 1HG PRO 9 HG2 PRO 9 3.640 -4.932 5.065
56 2HG PRO 9 HG1 PRO 9 2.624 -6.227 4.409
57 1HD PRO 9 HD2 PRO 9 4.175 -4.482 2.899
58 2HD PRO 9 HD1 PRO 9 2.812 -5.435 2.283
59 H CYS 10 HN CYS 10 1.408 -0.571 4.181
60 HA CYS 10 HA CYS 10 3.869 0.227 5.240
61 1HB CYS 10 HB2 CYS 10 1.454 1.478 4.428
62 2HB CYS 10 HB1 CYS 10 1.825 2.074 6.040
Start of MODEL 17
1 1H ALA 1 HT1 ALA 1 5.535 4.377 2.541
2 2H ALA 1 HT2 ALA 1 4.153 4.724 1.585
3 3H ALA 1 HT3 ALA 1 5.033 3.272 1.332
4 HA ALA 1 HA ALA 1 4.503 2.812 3.755
5 1HB ALA 1 HB1 ALA 1 2.128 4.533 3.131
6 2HB ALA 1 HB2 ALA 1 3.546 5.185 3.954
7 3HB ALA 1 HB3 ALA 1 2.636 3.859 4.680
8 H CYS 2 HN CYS 2 1.749 2.181 3.909
9 HA CYS 2 HA CYS 2 1.621 -0.070 2.245
10 1HB CYS 2 HB2 CYS 2 -0.093 1.314 4.258
11 2HB CYS 2 HB1 CYS 2 -0.756 0.022 3.302
12 H LEU 3 HN LEU 3 -0.269 -0.554 0.828
13 HA LEU 3 HA LEU 3 -0.926 1.804 -0.800
14 1HB LEU 3 HB2 LEU 3 -0.833 -1.134 -1.423
15 2HB LEU 3 HB1 LEU 3 -1.609 0.011 -2.496
16 HG LEU 3 HG LEU 3 1.307 -0.242 -1.824
17 1HD1 LEU 3 HD11 LEU 3 -0.421 -0.836 -4.069
18 2HD1 LEU 3 HD12 LEU 3 1.240 -1.346 -3.756
19 3HD1 LEU 3 HD13 LEU 3 0.925 0.209 -4.533
20 1HD2 LEU 3 HD21 LEU 3 0.890 2.101 -1.580
21 2HD2 LEU 3 HD22 LEU 3 -0.104 2.131 -3.036
22 3HD2 LEU 3 HD23 LEU 3 1.633 1.847 -3.160
23 HA PRO 4 HA PRO 4 -5.148 1.926 0.586
24 1HB PRO 4 HB2 PRO 4 -5.632 2.539 -2.298
25 2HB PRO 4 HB1 PRO 4 -6.215 3.384 -0.859
26 1HG PRO 4 HG2 PRO 4 -4.227 4.403 -2.280
27 2HG PRO 4 HG1 PRO 4 -4.177 4.456 -0.507
28 1HD PRO 4 HD2 PRO 4 -2.695 2.680 -2.395
29 2HD PRO 4 HD1 PRO 4 -2.166 3.385 -0.854
30 H TRP 5 HN TRP 5 -4.445 0.419 -2.555
31 HA TRP 5 HA TRP 5 -6.627 -1.491 -2.086
32 1HB TRP 5 HB2 TRP 5 -5.670 -1.869 -4.698
33 2HB TRP 5 HB1 TRP 5 -7.171 -1.092 -4.215
34 HD1 TRP 5 HD1 TRP 5 -7.387 1.459 -4.676
35 HE1 TRP 5 HE1 TRP 5 -5.847 3.234 -5.726
36 HE3 TRP 5 HE3 TRP 5 -3.053 -1.231 -4.845
37 HZ2 TRP 5 HZ2 TRP 5 -3.148 3.462 -6.518
38 HZ3 TRP 5 HZ3 TRP 5 -1.035 -0.167 -5.768
39 HH2 TRP 5 HH2 TRP 5 -1.082 2.133 -6.585
40 H SER 6 HN SER 6 -3.283 -1.271 -1.871
41 HA SER 6 HA SER 6 -3.066 -4.194 -1.996
42 1HB SER 6 HB2 SER 6 -1.972 -2.797 -3.946
43 2HB SER 6 HB1 SER 6 -0.716 -2.489 -2.747
44 HG SER 6 HG SER 6 -1.238 -4.752 -4.167
45 H ASP 7 HN ASP 7 -0.157 -3.805 -1.291
46 HA ASP 7 HA ASP 7 -0.446 -2.873 1.473
47 1HB ASP 7 HB2 ASP 7 0.757 -4.834 2.303
48 2HB ASP 7 HB1 ASP 7 -0.692 -5.333 1.437
49 H GLY 8 HN GLY 8 2.420 -4.114 1.763
50 1HA GLY 8 HA2 GLY 8 4.520 -3.498 0.611
51 2HA GLY 8 HA1 GLY 8 3.806 -1.915 0.363
52 HA PRO 9 HA PRO 9 6.495 -2.059 4.268
53 1HB PRO 9 HB2 PRO 9 8.063 0.074 3.520
54 2HB PRO 9 HB1 PRO 9 8.490 -1.619 3.243
55 1HG PRO 9 HG2 PRO 9 7.289 0.369 1.359
56 2HG PRO 9 HG1 PRO 9 8.537 -0.854 1.054
57 1HD PRO 9 HD2 PRO 9 5.973 -1.210 0.303
58 2HD PRO 9 HD1 PRO 9 6.990 -2.561 0.845
59 H CYS 10 HN CYS 10 4.602 -1.327 5.325
60 HA CYS 10 HA CYS 10 3.391 1.157 5.021
61 1HB CYS 10 HB2 CYS 10 3.203 -1.050 6.806
62 2HB CYS 10 HB1 CYS 10 3.293 0.413 7.779
Start of MODEL 18
1 1H ALA 1 HT1 ALA 1 4.592 3.885 0.642
2 2H ALA 1 HT2 ALA 1 5.143 5.295 1.451
3 3H ALA 1 HT3 ALA 1 3.973 5.421 0.202
4 HA ALA 1 HA ALA 1 3.694 4.379 2.917
5 1HB ALA 1 HB1 ALA 1 2.333 6.137 3.253
6 2HB ALA 1 HB2 ALA 1 1.635 6.041 1.635
7 3HB ALA 1 HB3 ALA 1 3.199 6.820 1.876
8 H CYS 2 HN CYS 2 2.708 2.492 3.119
9 HA CYS 2 HA CYS 2 1.720 0.803 1.330
10 1HB CYS 2 HB2 CYS 2 -0.137 0.627 3.476
11 2HB CYS 2 HB1 CYS 2 1.284 -0.350 3.165
12 H LEU 3 HN LEU 3 -0.087 0.444 0.115
13 HA LEU 3 HA LEU 3 -2.096 2.598 0.133
14 1HB LEU 3 HB2 LEU 3 -1.047 0.860 -2.081
15 2HB LEU 3 HB1 LEU 3 -2.549 1.750 -2.240
16 HG LEU 3 HG LEU 3 0.080 3.073 -1.592
17 1HD1 LEU 3 HD11 LEU 3 -0.708 3.685 -4.219
18 2HD1 LEU 3 HD12 LEU 3 -0.782 1.929 -4.070
19 3HD1 LEU 3 HD13 LEU 3 0.714 2.783 -3.694
20 1HD2 LEU 3 HD21 LEU 3 -1.160 5.064 -2.497
21 2HD2 LEU 3 HD22 LEU 3 -1.761 4.435 -0.963
22 3HD2 LEU 3 HD23 LEU 3 -2.622 4.078 -2.460
23 HA PRO 4 HA PRO 4 -5.397 -0.091 1.225
24 1HB PRO 4 HB2 PRO 4 -6.926 0.965 -1.088
25 2HB PRO 4 HB1 PRO 4 -7.335 0.980 0.631
26 1HG PRO 4 HG2 PRO 4 -6.570 3.210 -0.605
27 2HG PRO 4 HG1 PRO 4 -6.042 2.863 1.053
28 1HD PRO 4 HD2 PRO 4 -4.534 2.579 -1.518
29 2HD PRO 4 HD1 PRO 4 -3.973 3.183 0.056
30 H TRP 5 HN TRP 5 -5.104 0.173 -2.318
31 HA TRP 5 HA TRP 5 -5.999 -2.552 -2.672
32 1HB TRP 5 HB2 TRP 5 -4.820 -1.392 -5.053
33 2HB TRP 5 HB1 TRP 5 -6.471 -1.927 -4.772
34 HD1 TRP 5 HD1 TRP 5 -8.266 -0.072 -4.111
35 HE1 TRP 5 HE1 TRP 5 -8.241 2.496 -4.274
36 HE3 TRP 5 HE3 TRP 5 -3.257 0.642 -4.817
37 HZ2 TRP 5 HZ2 TRP 5 -6.342 4.554 -4.650
38 HZ3 TRP 5 HZ3 TRP 5 -2.415 2.941 -5.068
39 HH2 TRP 5 HH2 TRP 5 -3.928 4.856 -4.987
40 H SER 6 HN SER 6 -3.076 -1.088 -1.949
41 HA SER 6 HA SER 6 -1.642 -3.549 -2.319
42 1HB SER 6 HB2 SER 6 -1.254 -1.256 -4.165
43 2HB SER 6 HB1 SER 6 0.210 -2.024 -3.552
44 HG SER 6 HG SER 6 -0.495 -3.021 -5.469
45 H ASP 7 HN ASP 7 -1.714 -3.145 0.006
46 HA ASP 7 HA ASP 7 -0.641 -0.964 1.312
47 1HB ASP 7 HB2 ASP 7 0.007 -2.791 3.105
48 2HB ASP 7 HB1 ASP 7 -1.679 -2.407 2.776
49 H GLY 8 HN GLY 8 1.321 -3.778 1.939
50 1HA GLY 8 HA2 GLY 8 3.501 -4.164 0.939
51 2HA GLY 8 HA1 GLY 8 3.615 -2.432 0.664
52 HA PRO 9 HA PRO 9 5.792 -3.575 4.663
53 1HB PRO 9 HB2 PRO 9 8.247 -2.656 3.996
54 2HB PRO 9 HB1 PRO 9 7.709 -4.295 3.610
55 1HG PRO 9 HG2 PRO 9 7.798 -1.870 1.854
56 2HG PRO 9 HG1 PRO 9 8.278 -3.537 1.484
57 1HD PRO 9 HD2 PRO 9 5.898 -2.486 0.710
58 2HD PRO 9 HD1 PRO 9 6.110 -4.207 1.093
59 H CYS 10 HN CYS 10 4.823 -2.024 5.898
60 HA CYS 10 HA CYS 10 5.302 0.789 5.354
61 1HB CYS 10 HB2 CYS 10 3.785 -0.338 7.702
62 2HB CYS 10 HB1 CYS 10 3.628 1.253 6.967
Start of MODEL 19
1 1H ALA 1 HT1 ALA 1 5.443 4.551 0.573
2 2H ALA 1 HT2 ALA 1 5.380 4.802 2.270
3 3H ALA 1 HT3 ALA 1 5.503 6.143 1.206
4 HA ALA 1 HA ALA 1 3.289 5.720 2.182
5 1HB ALA 1 HB1 ALA 1 2.189 6.450 0.242
6 2HB ALA 1 HB2 ALA 1 3.311 5.597 -0.818
7 3HB ALA 1 HB3 ALA 1 3.848 7.024 0.068
8 H CYS 2 HN CYS 2 1.713 4.287 2.593
9 HA CYS 2 HA CYS 2 2.036 1.575 1.618
10 1HB CYS 2 HB2 CYS 2 1.150 2.800 4.005
11 2HB CYS 2 HB1 CYS 2 -0.212 1.926 3.351
12 H LEU 3 HN LEU 3 0.197 0.368 0.847
13 HA LEU 3 HA LEU 3 -1.624 2.037 -0.743
14 1HB LEU 3 HB2 LEU 3 -0.244 -0.517 -1.224
15 2HB LEU 3 HB1 LEU 3 -1.903 -0.468 -1.774
16 HG LEU 3 HG LEU 3 0.302 0.343 -3.200
17 1HD1 LEU 3 HD11 LEU 3 -1.369 -0.043 -4.627
18 2HD1 LEU 3 HD12 LEU 3 -1.777 1.660 -4.417
19 3HD1 LEU 3 HD13 LEU 3 -2.599 0.431 -3.455
20 1HD2 LEU 3 HD21 LEU 3 0.348 2.671 -3.418
21 2HD2 LEU 3 HD22 LEU 3 0.310 2.396 -1.677
22 3HD2 LEU 3 HD23 LEU 3 -1.160 2.875 -2.526
23 HA PRO 4 HA PRO 4 -5.013 0.983 1.923
24 1HB PRO 4 HB2 PRO 4 -6.470 1.146 -0.682
25 2HB PRO 4 HB1 PRO 4 -6.869 1.879 0.877
26 1HG PRO 4 HG2 PRO 4 -5.810 3.356 -1.051
27 2HG PRO 4 HG1 PRO 4 -5.289 3.571 0.632
28 1HD PRO 4 HD2 PRO 4 -3.890 2.216 -1.630
29 2HD PRO 4 HD1 PRO 4 -3.215 3.171 -0.294
30 H TRP 5 HN TRP 5 -4.251 -0.722 -1.041
31 HA TRP 5 HA TRP 5 -5.131 -3.204 0.149
32 1HB TRP 5 HB2 TRP 5 -6.425 -3.602 -2.157
33 2HB TRP 5 HB1 TRP 5 -7.217 -2.921 -0.740
34 HD1 TRP 5 HD1 TRP 5 -8.480 -0.728 -1.157
35 HE1 TRP 5 HE1 TRP 5 -8.452 1.099 -2.972
36 HE3 TRP 5 HE3 TRP 5 -4.563 -2.417 -3.962
37 HZ2 TRP 5 HZ2 TRP 5 -6.977 1.733 -5.288
38 HZ3 TRP 5 HZ3 TRP 5 -3.906 -1.149 -5.965
39 HH2 TRP 5 HH2 TRP 5 -5.091 0.886 -6.613
40 H SER 6 HN SER 6 -2.577 -2.160 -0.750
41 HA SER 6 HA SER 6 -1.702 -4.412 -2.238
42 1HB SER 6 HB2 SER 6 -2.716 -3.121 -4.080
43 2HB SER 6 HB1 SER 6 -1.665 -1.760 -3.691
44 HG SER 6 HG SER 6 -1.024 -4.246 -4.824
45 H ASP 7 HN ASP 7 0.465 -2.618 -3.424
46 HA ASP 7 HA ASP 7 2.585 -3.086 -1.897
47 1HB ASP 7 HB2 ASP 7 1.919 -0.846 -3.724
48 2HB ASP 7 HB1 ASP 7 3.343 -0.643 -2.707
49 H GLY 8 HN GLY 8 2.101 -3.076 0.289
50 1HA GLY 8 HA2 GLY 8 2.334 -0.422 1.524
51 2HA GLY 8 HA1 GLY 8 1.020 -1.472 2.030
52 HA PRO 9 HA PRO 9 5.069 -3.518 3.622
53 1HB PRO 9 HB2 PRO 9 7.361 -2.118 3.490
54 2HB PRO 9 HB1 PRO 9 6.785 -3.090 2.129
55 1HG PRO 9 HG2 PRO 9 6.579 -0.136 2.568
56 2HG PRO 9 HG1 PRO 9 6.997 -1.020 1.089
57 1HD PRO 9 HD2 PRO 9 4.508 -0.004 1.596
58 2HD PRO 9 HD1 PRO 9 4.800 -1.417 0.562
59 H CYS 10 HN CYS 10 3.304 -2.197 5.089
60 HA CYS 10 HA CYS 10 4.871 -0.626 7.026
61 1HB CYS 10 HB2 CYS 10 1.870 -0.586 6.668
62 2HB CYS 10 HB1 CYS 10 2.835 0.492 7.670
Start of MODEL 20
1 1H ALA 1 HT1 ALA 1 3.414 7.146 2.718
2 2H ALA 1 HT2 ALA 1 3.434 6.469 1.141
3 3H ALA 1 HT3 ALA 1 3.953 5.536 2.485
4 HA ALA 1 HA ALA 1 1.755 5.629 3.406
5 1HB ALA 1 HB1 ALA 1 0.039 6.332 1.480
6 2HB ALA 1 HB2 ALA 1 1.366 7.427 1.092
7 3HB ALA 1 HB3 ALA 1 0.634 7.463 2.696
8 H CYS 2 HN CYS 2 1.923 3.449 3.321
9 HA CYS 2 HA CYS 2 2.500 1.731 1.361
10 1HB CYS 2 HB2 CYS 2 0.274 0.544 2.677
11 2HB CYS 2 HB1 CYS 2 1.985 0.286 2.952
12 H LEU 3 HN LEU 3 1.250 0.350 -0.059
13 HA LEU 3 HA LEU 3 -0.368 1.756 -1.838
14 1HB LEU 3 HB2 LEU 3 0.342 -1.087 -1.412
15 2HB LEU 3 HB1 LEU 3 -1.075 -0.775 -2.397
16 HG LEU 3 HG LEU 3 0.308 0.642 -3.888
17 1HD1 LEU 3 HD11 LEU 3 2.680 0.711 -3.691
18 2HD1 LEU 3 HD12 LEU 3 2.660 -0.422 -2.340
19 3HD1 LEU 3 HD13 LEU 3 2.005 1.203 -2.138
20 1HD2 LEU 3 HD21 LEU 3 -0.063 -1.904 -4.109
21 2HD2 LEU 3 HD22 LEU 3 1.634 -2.031 -3.644
22 3HD2 LEU 3 HD23 LEU 3 1.182 -1.137 -5.096
23 HA PRO 4 HA PRO 4 -4.277 1.962 0.295
24 1HB PRO 4 HB2 PRO 4 -5.380 2.012 -2.464
25 2HB PRO 4 HB1 PRO 4 -5.631 3.144 -1.131
26 1HG PRO 4 HG2 PRO 4 -4.073 3.796 -3.186
27 2HG PRO 4 HG1 PRO 4 -3.636 4.261 -1.531
28 1HD PRO 4 HD2 PRO 4 -2.546 2.056 -3.233
29 2HD PRO 4 HD1 PRO 4 -1.698 3.141 -2.111
30 H TRP 5 HN TRP 5 -4.552 0.200 -2.782
31 HA TRP 5 HA TRP 5 -6.483 -1.624 -1.785
32 1HB TRP 5 HB2 TRP 5 -5.890 -2.871 -3.967
33 2HB TRP 5 HB1 TRP 5 -6.599 -1.265 -4.090
34 HD1 TRP 5 HD1 TRP 5 -2.923 -2.498 -3.756
35 HE1 TRP 5 HE1 TRP 5 -1.520 -1.277 -5.535
36 HE3 TRP 5 HE3 TRP 5 -6.617 0.284 -5.928
37 HZ2 TRP 5 HZ2 TRP 5 -1.927 0.619 -7.587
38 HZ3 TRP 5 HZ3 TRP 5 -6.028 1.779 -7.792
39 HH2 TRP 5 HH2 TRP 5 -3.731 1.942 -8.602
40 H SER 6 HN SER 6 -3.151 -1.518 -1.296
41 HA SER 6 HA SER 6 -3.187 -4.293 -0.382
42 1HB SER 6 HB2 SER 6 -1.236 -4.927 -1.512
43 2HB SER 6 HB1 SER 6 -2.116 -4.001 -2.727
44 HG SER 6 HG SER 6 0.241 -3.537 -2.295
45 H ASP 7 HN ASP 7 -0.188 -3.940 0.021
46 HA ASP 7 HA ASP 7 -0.154 -1.926 2.129
47 1HB ASP 7 HB2 ASP 7 -0.288 -4.794 2.588
48 2HB ASP 7 HB1 ASP 7 1.155 -4.088 3.309
49 H GLY 8 HN GLY 8 2.034 -4.646 1.493
50 1HA GLY 8 HA2 GLY 8 4.170 -4.690 0.622
51 2HA GLY 8 HA1 GLY 8 3.916 -3.056 0.031
52 HA PRO 9 HA PRO 9 6.969 -2.124 3.179
53 1HB PRO 9 HB2 PRO 9 7.176 0.527 2.689
54 2HB PRO 9 HB1 PRO 9 7.907 -0.691 1.637
55 1HG PRO 9 HG2 PRO 9 5.341 0.812 1.295
56 2HG PRO 9 HG1 PRO 9 6.592 0.447 0.092
57 1HD PRO 9 HD2 PRO 9 4.286 -0.974 0.301
58 2HD PRO 9 HD1 PRO 9 5.813 -1.691 -0.252
59 H CYS 10 HN CYS 10 4.980 -2.647 4.610
60 HA CYS 10 HA CYS 10 4.688 -0.515 6.474
61 1HB CYS 10 HB2 CYS 10 2.580 -0.932 4.473
62 2HB CYS 10 HB1 CYS 10 1.995 -0.941 6.133
Start of MODEL 21
1 1H ALA 1 HT1 ALA 1 5.393 4.323 2.719
2 2H ALA 1 HT2 ALA 1 4.759 2.855 2.095
3 3H ALA 1 HT3 ALA 1 4.515 3.267 3.744
4 HA ALA 1 HA ALA 1 3.016 4.878 3.277
5 1HB ALA 1 HB1 ALA 1 4.017 6.235 1.702
6 2HB ALA 1 HB2 ALA 1 2.682 5.539 0.784
7 3HB ALA 1 HB3 ALA 1 4.314 4.901 0.587
8 H CYS 2 HN CYS 2 2.484 2.360 3.741
9 HA CYS 2 HA CYS 2 1.479 0.539 2.123
10 1HB CYS 2 HB2 CYS 2 -0.616 0.910 4.012
11 2HB CYS 2 HB1 CYS 2 0.697 -0.251 4.032
12 H LEU 3 HN LEU 3 0.170 0.452 0.432
13 HA LEU 3 HA LEU 3 -1.763 2.622 0.028
14 1HB LEU 3 HB2 LEU 3 -0.880 0.560 -1.982
15 2HB LEU 3 HB1 LEU 3 -1.736 2.057 -2.296
16 HG LEU 3 HG LEU 3 0.362 3.226 -1.357
17 1HD1 LEU 3 HD11 LEU 3 2.405 1.729 -1.977
18 2HD1 LEU 3 HD12 LEU 3 1.290 0.405 -1.640
19 3HD1 LEU 3 HD13 LEU 3 1.655 1.590 -0.387
20 1HD2 LEU 3 HD21 LEU 3 0.724 1.749 -3.950
21 2HD2 LEU 3 HD22 LEU 3 1.308 3.355 -3.514
22 3HD2 LEU 3 HD23 LEU 3 -0.417 3.081 -3.760
23 HA PRO 4 HA PRO 4 -5.331 0.172 0.852
24 1HB PRO 4 HB2 PRO 4 -6.441 1.258 -1.686
25 2HB PRO 4 HB1 PRO 4 -7.118 1.294 -0.055
26 1HG PRO 4 HG2 PRO 4 -6.064 3.487 -1.133
27 2HG PRO 4 HG1 PRO 4 -5.825 3.112 0.585
28 1HD PRO 4 HD2 PRO 4 -3.929 2.808 -1.707
29 2HD PRO 4 HD1 PRO 4 -3.609 3.317 -0.036
30 H TRP 5 HN TRP 5 -5.026 0.352 -2.692
31 HA TRP 5 HA TRP 5 -5.957 -2.233 -3.193
32 1HB TRP 5 HB2 TRP 5 -4.674 -1.912 -5.417
33 2HB TRP 5 HB1 TRP 5 -5.986 -0.801 -5.039
34 HD1 TRP 5 HD1 TRP 5 -2.188 -0.763 -4.185
35 HE1 TRP 5 HE1 TRP 5 -1.279 1.573 -4.764
36 HE3 TRP 5 HE3 TRP 5 -6.484 1.363 -5.956
37 HZ2 TRP 5 HZ2 TRP 5 -2.255 3.999 -5.827
38 HZ3 TRP 5 HZ3 TRP 5 -6.413 3.697 -6.733
39 HH2 TRP 5 HH2 TRP 5 -4.341 4.987 -6.669
40 H SER 6 HN SER 6 -2.896 -1.171 -2.054
41 HA SER 6 HA SER 6 -1.977 -3.858 -1.745
42 1HB SER 6 HB2 SER 6 -0.014 -3.767 -3.141
43 2HB SER 6 HB1 SER 6 -1.410 -3.386 -4.149
44 HG SER 6 HG SER 6 0.532 -1.980 -4.307
45 H ASP 7 HN ASP 7 -1.830 -3.279 0.416
46 HA ASP 7 HA ASP 7 -0.659 -0.997 1.468
47 1HB ASP 7 HB2 ASP 7 -0.951 -3.786 2.572
48 2HB ASP 7 HB1 ASP 7 -0.234 -2.483 3.515
49 H GLY 8 HN GLY 8 0.969 -4.113 1.932
50 1HA GLY 8 HA2 GLY 8 3.160 -4.737 1.526
51 2HA GLY 8 HA1 GLY 8 3.374 -3.253 0.608
52 HA PRO 9 HA PRO 9 5.693 -2.985 4.688
53 1HB PRO 9 HB2 PRO 9 8.076 -2.251 3.588
54 2HB PRO 9 HB1 PRO 9 7.615 -3.933 3.869
55 1HG PRO 9 HG2 PRO 9 7.495 -2.332 1.343
56 2HG PRO 9 HG1 PRO 9 8.030 -4.006 1.583
57 1HD PRO 9 HD2 PRO 9 5.584 -3.400 0.613
58 2HD PRO 9 HD1 PRO 9 5.869 -4.821 1.639
59 H CYS 10 HN CYS 10 4.698 -1.146 5.394
60 HA CYS 10 HA CYS 10 4.546 1.294 4.039
61 1HB CYS 10 HB2 CYS 10 4.603 0.984 7.042
62 2HB CYS 10 HB1 CYS 10 3.812 2.248 6.108
Start of MODEL 22
1 1H ALA 1 HT1 ALA 1 3.461 6.480 3.949
2 2H ALA 1 HT2 ALA 1 2.457 5.575 5.008
3 3H ALA 1 HT3 ALA 1 2.237 7.269 4.852
4 HA ALA 1 HA ALA 1 0.556 6.104 3.679
5 1HB ALA 1 HB1 ALA 1 2.395 7.203 1.590
6 2HB ALA 1 HB2 ALA 1 1.721 8.255 2.835
7 3HB ALA 1 HB3 ALA 1 0.647 7.378 1.745
8 H CYS 2 HN CYS 2 0.413 3.910 3.537
9 HA CYS 2 HA CYS 2 2.345 2.409 2.009
10 1HB CYS 2 HB2 CYS 2 0.549 1.900 4.137
11 2HB CYS 2 HB1 CYS 2 0.053 0.883 2.802
12 H LEU 3 HN LEU 3 0.632 0.415 0.958
13 HA LEU 3 HA LEU 3 -0.455 1.891 -1.323
14 1HB LEU 3 HB2 LEU 3 0.898 -0.623 -0.975
15 2HB LEU 3 HB1 LEU 3 -0.628 -0.876 -1.802
16 HG LEU 3 HG LEU 3 1.588 0.974 -2.681
17 1HD1 LEU 3 HD11 LEU 3 0.766 -1.781 -3.400
18 2HD1 LEU 3 HD12 LEU 3 2.370 -1.050 -3.353
19 3HD1 LEU 3 HD13 LEU 3 1.289 -0.716 -4.706
20 1HD2 LEU 3 HD21 LEU 3 -0.044 0.833 -4.796
21 2HD2 LEU 3 HD22 LEU 3 -0.165 2.095 -3.570
22 3HD2 LEU 3 HD23 LEU 3 -1.237 0.696 -3.504
23 HA PRO 4 HA PRO 4 -4.607 1.446 0.293
24 1HB PRO 4 HB2 PRO 4 -5.265 1.767 -2.594
25 2HB PRO 4 HB1 PRO 4 -5.898 2.636 -1.192
26 1HG PRO 4 HG2 PRO 4 -4.137 3.792 -2.815
27 2HG PRO 4 HG1 PRO 4 -4.053 4.037 -1.060
28 1HD PRO 4 HD2 PRO 4 -2.363 2.313 -2.819
29 2HD PRO 4 HD1 PRO 4 -1.905 3.263 -1.390
30 H TRP 5 HN TRP 5 -4.234 0.089 -2.985
31 HA TRP 5 HA TRP 5 -5.760 -2.257 -2.140
32 1HB TRP 5 HB2 TRP 5 -5.462 -2.738 -4.734
33 2HB TRP 5 HB1 TRP 5 -6.689 -1.625 -4.140
34 HD1 TRP 5 HD1 TRP 5 -3.265 -1.637 -5.889
35 HE1 TRP 5 HE1 TRP 5 -2.947 0.630 -7.066
36 HE3 TRP 5 HE3 TRP 5 -7.407 0.784 -4.123
37 HZ2 TRP 5 HZ2 TRP 5 -4.276 3.115 -7.225
38 HZ3 TRP 5 HZ3 TRP 5 -7.811 3.105 -4.835
39 HH2 TRP 5 HH2 TRP 5 -6.276 4.244 -6.354
40 H SER 6 HN SER 6 -3.167 -2.041 -1.108
41 HA SER 6 HA SER 6 -2.132 -4.549 -1.377
42 1HB SER 6 HB2 SER 6 -1.245 -2.764 -3.576
43 2HB SER 6 HB1 SER 6 0.017 -3.714 -2.792
44 HG SER 6 HG SER 6 -1.318 -5.576 -3.196
45 H ASP 7 HN ASP 7 -2.383 -3.087 0.750
46 HA ASP 7 HA ASP 7 -0.815 -1.257 1.786
47 1HB ASP 7 HB2 ASP 7 -2.347 -2.895 3.021
48 2HB ASP 7 HB1 ASP 7 -0.918 -3.904 3.219
49 H GLY 8 HN GLY 8 0.447 -4.592 2.027
50 1HA GLY 8 HA2 GLY 8 2.595 -5.394 1.976
51 2HA GLY 8 HA1 GLY 8 2.906 -4.132 0.794
52 HA PRO 9 HA PRO 9 5.073 -3.262 4.933
53 1HB PRO 9 HB2 PRO 9 7.572 -4.112 4.393
54 2HB PRO 9 HB1 PRO 9 6.333 -5.195 5.039
55 1HG PRO 9 HG2 PRO 9 7.275 -4.868 2.216
56 2HG PRO 9 HG1 PRO 9 6.933 -6.358 3.114
57 1HD PRO 9 HD2 PRO 9 5.183 -5.244 1.347
58 2HD PRO 9 HD1 PRO 9 4.670 -6.204 2.749
59 H CYS 10 HN CYS 10 4.826 -1.088 4.348
60 HA CYS 10 HA CYS 10 6.720 0.017 2.408
61 1HB CYS 10 HB2 CYS 10 4.623 1.644 3.805
62 2HB CYS 10 HB1 CYS 10 5.325 1.875 2.208
Start of MODEL 23
1 1H ALA 1 HT1 ALA 1 3.926 6.129 2.197
2 2H ALA 1 HT2 ALA 1 3.087 7.449 2.904
3 3H ALA 1 HT3 ALA 1 2.766 6.996 1.280
4 HA ALA 1 HA ALA 1 2.072 5.612 3.765
5 1HB ALA 1 HB1 ALA 1 -0.109 5.528 2.233
6 2HB ALA 1 HB2 ALA 1 0.649 6.968 1.551
7 3HB ALA 1 HB3 ALA 1 0.272 6.900 3.272
8 H CYS 2 HN CYS 2 0.573 3.655 3.109
9 HA CYS 2 HA CYS 2 2.276 1.840 1.647
10 1HB CYS 2 HB2 CYS 2 0.480 1.672 3.819
11 2HB CYS 2 HB1 CYS 2 -0.177 0.664 2.545
12 H LEU 3 HN LEU 3 0.465 0.020 0.657
13 HA LEU 3 HA LEU 3 -0.285 1.275 -1.804
14 1HB LEU 3 HB2 LEU 3 0.065 -1.411 -0.801
15 2HB LEU 3 HB1 LEU 3 -1.418 -1.288 -1.728
16 HG LEU 3 HG LEU 3 1.143 -0.227 -2.864
17 1HD1 LEU 3 HD11 LEU 3 1.972 -2.246 -3.423
18 2HD1 LEU 3 HD12 LEU 3 0.376 -2.978 -3.586
19 3HD1 LEU 3 HD13 LEU 3 1.091 -2.770 -1.988
20 1HD2 LEU 3 HD21 LEU 3 -1.569 -0.897 -3.801
21 2HD2 LEU 3 HD22 LEU 3 -0.249 -1.337 -4.885
22 3HD2 LEU 3 HD23 LEU 3 -0.443 0.337 -4.364
23 HA PRO 4 HA PRO 4 -4.423 2.531 -0.835
24 1HB PRO 4 HB2 PRO 4 -5.029 1.707 -3.627
25 2HB PRO 4 HB1 PRO 4 -5.304 3.258 -2.826
26 1HG PRO 4 HG2 PRO 4 -3.336 2.977 -4.594
27 2HG PRO 4 HG1 PRO 4 -3.110 3.952 -3.129
28 1HD PRO 4 HD2 PRO 4 -2.137 1.191 -3.739
29 2HD PRO 4 HD1 PRO 4 -1.321 2.510 -2.875
30 H TRP 5 HN TRP 5 -4.237 -0.325 -2.964
31 HA TRP 5 HA TRP 5 -6.423 -1.532 -1.406
32 1HB TRP 5 HB2 TRP 5 -6.079 -3.071 -3.715
33 2HB TRP 5 HB1 TRP 5 -7.363 -1.911 -3.403
34 HD1 TRP 5 HD1 TRP 5 -7.349 0.320 -4.783
35 HE1 TRP 5 HE1 TRP 5 -5.918 1.189 -6.738
36 HE3 TRP 5 HE3 TRP 5 -3.599 -3.148 -4.648
37 HZ2 TRP 5 HZ2 TRP 5 -3.516 0.496 -8.049
38 HZ3 TRP 5 HZ3 TRP 5 -1.771 -2.975 -6.286
39 HH2 TRP 5 HH2 TRP 5 -1.732 -1.190 -7.951
40 H SER 6 HN SER 6 -3.464 -1.519 -0.846
41 HA SER 6 HA SER 6 -3.269 -4.291 -0.127
42 1HB SER 6 HB2 SER 6 -0.939 -3.280 -1.714
43 2HB SER 6 HB1 SER 6 -1.466 -4.939 -1.435
44 HG SER 6 HG SER 6 -1.868 -3.693 -3.585
45 H ASP 7 HN ASP 7 -0.270 -3.879 0.076
46 HA ASP 7 HA ASP 7 -0.063 -1.741 2.023
47 1HB ASP 7 HB2 ASP 7 -0.058 -4.634 2.732
48 2HB ASP 7 HB1 ASP 7 1.085 -3.586 3.566
49 H GLY 8 HN GLY 8 1.973 -4.624 1.727
50 1HA GLY 8 HA2 GLY 8 4.053 -4.890 0.739
51 2HA GLY 8 HA1 GLY 8 3.896 -3.284 0.046
52 HA PRO 9 HA PRO 9 7.059 -2.300 3.053
53 1HB PRO 9 HB2 PRO 9 7.312 0.328 2.475
54 2HB PRO 9 HB1 PRO 9 7.962 -0.940 1.428
55 1HG PRO 9 HG2 PRO 9 5.423 0.622 1.156
56 2HG PRO 9 HG1 PRO 9 6.609 0.190 -0.089
57 1HD PRO 9 HD2 PRO 9 4.279 -1.162 0.263
58 2HD PRO 9 HD1 PRO 9 5.760 -1.934 -0.337
59 H CYS 10 HN CYS 10 5.514 -2.692 4.807
60 HA CYS 10 HA CYS 10 4.853 -0.197 6.168
61 1HB CYS 10 HB2 CYS 10 2.888 -2.153 5.166
62 2HB CYS 10 HB1 CYS 10 2.663 -1.674 6.845
Start of MODEL 24
1 1H ALA 1 HT1 ALA 1 4.762 6.705 2.335
2 2H ALA 1 HT2 ALA 1 5.062 5.209 1.549
3 3H ALA 1 HT3 ALA 1 4.323 5.235 3.098
4 HA ALA 1 HA ALA 1 2.416 6.302 2.226
5 1HB ALA 1 HB1 ALA 1 4.047 6.327 -0.290
6 2HB ALA 1 HB2 ALA 1 3.206 7.660 0.502
7 3HB ALA 1 HB3 ALA 1 2.286 6.411 -0.335
8 H CYS 2 HN CYS 2 1.453 4.440 2.937
9 HA CYS 2 HA CYS 2 1.829 1.956 1.511
10 1HB CYS 2 HB2 CYS 2 1.098 2.738 4.125
11 2HB CYS 2 HB1 CYS 2 -0.264 1.866 3.459
12 H LEU 3 HN LEU 3 -0.097 0.691 0.848
13 HA LEU 3 HA LEU 3 -2.276 2.405 -0.132
14 1HB LEU 3 HB2 LEU 3 -0.935 0.169 -1.647
15 2HB LEU 3 HB1 LEU 3 -2.404 0.963 -2.155
16 HG LEU 3 HG LEU 3 0.372 1.767 -2.522
17 1HD1 LEU 3 HD11 LEU 3 -2.221 2.683 -3.753
18 2HD1 LEU 3 HD12 LEU 3 -1.215 1.355 -4.329
19 3HD1 LEU 3 HD13 LEU 3 -0.603 3.007 -4.375
20 1HD2 LEU 3 HD21 LEU 3 -1.501 3.642 -1.171
21 2HD2 LEU 3 HD22 LEU 3 -0.460 4.262 -2.449
22 3HD2 LEU 3 HD23 LEU 3 0.250 3.492 -1.033
23 HA PRO 4 HA PRO 4 -4.902 -0.420 2.074
24 1HB PRO 4 HB2 PRO 4 -6.829 0.417 -0.037
25 2HB PRO 4 HB1 PRO 4 -7.018 0.412 1.720
26 1HG PRO 4 HG2 PRO 4 -6.629 2.693 0.431
27 2HG PRO 4 HG1 PRO 4 -5.818 2.391 1.981
28 1HD PRO 4 HD2 PRO 4 -4.713 2.259 -0.795
29 2HD PRO 4 HD1 PRO 4 -3.959 2.871 0.693
30 H TRP 5 HN TRP 5 -4.112 -0.631 -1.292
31 HA TRP 5 HA TRP 5 -4.780 -3.464 -1.266
32 1HB TRP 5 HB2 TRP 5 -5.836 -2.870 -3.678
33 2HB TRP 5 HB1 TRP 5 -6.793 -2.959 -2.201
34 HD1 TRP 5 HD1 TRP 5 -8.343 -0.931 -1.912
35 HE1 TRP 5 HE1 TRP 5 -8.281 1.554 -2.599
36 HE3 TRP 5 HE3 TRP 5 -3.814 -0.826 -4.241
37 HZ2 TRP 5 HZ2 TRP 5 -6.556 3.316 -3.954
38 HZ3 TRP 5 HZ3 TRP 5 -3.019 1.289 -5.211
39 HH2 TRP 5 HH2 TRP 5 -4.366 3.322 -5.068
40 H SER 6 HN SER 6 -2.346 -1.538 -1.675
41 HA SER 6 HA SER 6 -1.132 -3.191 -3.697
42 1HB SER 6 HB2 SER 6 -1.953 -0.397 -4.306
43 2HB SER 6 HB1 SER 6 -0.407 -0.959 -4.941
44 HG SER 6 HG SER 6 -1.896 -1.496 -6.458
45 H ASP 7 HN ASP 7 -0.705 -2.263 -0.863
46 HA ASP 7 HA ASP 7 2.118 -2.165 -0.990
47 1HB ASP 7 HB2 ASP 7 0.736 0.395 -0.909
48 2HB ASP 7 HB1 ASP 7 1.840 0.188 0.444
49 H GLY 8 HN GLY 8 1.949 -3.892 0.419
50 1HA GLY 8 HA2 GLY 8 0.522 -3.627 2.916
51 2HA GLY 8 HA1 GLY 8 1.474 -5.009 2.398
52 HA PRO 9 HA PRO 9 4.911 -3.933 4.921
53 1HB PRO 9 HB2 PRO 9 7.027 -3.574 3.192
54 2HB PRO 9 HB1 PRO 9 6.430 -5.147 3.730
55 1HG PRO 9 HG2 PRO 9 5.874 -3.675 1.188
56 2HG PRO 9 HG1 PRO 9 6.174 -5.404 1.440
57 1HD PRO 9 HD2 PRO 9 3.696 -4.451 1.060
58 2HD PRO 9 HD1 PRO 9 4.009 -5.801 2.170
59 H CYS 10 HN CYS 10 5.300 -2.098 5.969
60 HA CYS 10 HA CYS 10 6.204 0.266 4.579
61 1HB CYS 10 HB2 CYS 10 3.488 0.105 5.857
62 2HB CYS 10 HB1 CYS 10 4.352 1.636 5.770
Start of MODEL 25
1 1H ALA 1 HT1 ALA 1 1.856 5.984 2.241
2 2H ALA 1 HT2 ALA 1 3.553 5.747 2.336
3 3H ALA 1 HT3 ALA 1 2.733 6.596 3.581
4 HA ALA 1 HA ALA 1 3.370 4.290 4.100
5 1HB ALA 1 HB1 ALA 1 0.577 5.349 4.269
6 2HB ALA 1 HB2 ALA 1 1.798 5.205 5.533
7 3HB ALA 1 HB3 ALA 1 0.976 3.765 4.933
8 H CYS 2 HN CYS 2 1.873 2.158 4.157
9 HA CYS 2 HA CYS 2 2.345 0.664 2.003
10 1HB CYS 2 HB2 CYS 2 -0.224 -0.189 2.886
11 2HB CYS 2 HB1 CYS 2 1.353 -0.857 3.256
12 H LEU 3 HN LEU 3 1.062 -0.201 0.259
13 HA LEU 3 HA LEU 3 -0.006 1.764 -1.408
14 1HB LEU 3 HB2 LEU 3 -0.332 -1.231 -1.488
15 2HB LEU 3 HB1 LEU 3 -0.822 -0.157 -2.784
16 HG LEU 3 HG LEU 3 1.987 -0.656 -1.805
17 1HD1 LEU 3 HD11 LEU 3 1.101 -0.991 -4.619
18 2HD1 LEU 3 HD12 LEU 3 0.623 -2.216 -3.444
19 3HD1 LEU 3 HD13 LEU 3 2.332 -1.864 -3.706
20 1HD2 LEU 3 HD21 LEU 3 2.336 0.830 -4.000
21 2HD2 LEU 3 HD22 LEU 3 2.260 1.517 -2.378
22 3HD2 LEU 3 HD23 LEU 3 0.833 1.540 -3.413
23 HA PRO 4 HA PRO 4 -4.180 2.398 -0.143
24 1HB PRO 4 HB2 PRO 4 -4.896 2.354 -3.019
25 2HB PRO 4 HB1 PRO 4 -5.136 3.627 -1.819
26 1HG PRO 4 HG2 PRO 4 -3.265 3.859 -3.704
27 2HG PRO 4 HG1 PRO 4 -2.978 4.437 -2.051
28 1HD PRO 4 HD2 PRO 4 -2.007 1.939 -3.384
29 2HD PRO 4 HD1 PRO 4 -1.154 3.030 -2.271
30 H TRP 5 HN TRP 5 -4.014 0.271 -3.008
31 HA TRP 5 HA TRP 5 -6.205 -1.318 -1.898
32 1HB TRP 5 HB2 TRP 5 -5.699 -2.463 -4.322
33 2HB TRP 5 HB1 TRP 5 -6.852 -1.163 -4.054
34 HD1 TRP 5 HD1 TRP 5 -6.572 0.809 -5.651
35 HE1 TRP 5 HE1 TRP 5 -4.656 1.787 -7.066
36 HE3 TRP 5 HE3 TRP 5 -2.806 -2.316 -4.191
37 HZ2 TRP 5 HZ2 TRP 5 -1.912 1.296 -7.506
38 HZ3 TRP 5 HZ3 TRP 5 -0.565 -2.000 -5.156
39 HH2 TRP 5 HH2 TRP 5 -0.129 -0.229 -6.779
40 H SER 6 HN SER 6 -3.419 -1.411 -0.882
41 HA SER 6 HA SER 6 -3.228 -4.232 -0.604
42 1HB SER 6 HB2 SER 6 -2.083 -3.560 -2.886
43 2HB SER 6 HB1 SER 6 -0.762 -3.058 -1.834
44 HG SER 6 HG SER 6 -1.494 -5.542 -2.585
45 H ASP 7 HN ASP 7 -0.254 -3.869 -0.083
46 HA ASP 7 HA ASP 7 -0.134 -1.944 2.042
47 1HB ASP 7 HB2 ASP 7 0.587 -3.982 3.626
48 2HB ASP 7 HB1 ASP 7 -1.065 -3.382 3.547
49 H GLY 8 HN GLY 8 1.601 -5.031 1.880
50 1HA GLY 8 HA2 GLY 8 3.833 -5.481 1.601
51 2HA GLY 8 HA1 GLY 8 3.797 -4.227 0.372
52 HA PRO 9 HA PRO 9 6.566 -2.217 3.267
53 1HB PRO 9 HB2 PRO 9 7.363 -0.210 1.688
54 2HB PRO 9 HB1 PRO 9 7.879 -1.874 1.387
55 1HG PRO 9 HG2 PRO 9 5.740 -0.279 0.035
56 2HG PRO 9 HG1 PRO 9 6.934 -1.379 -0.675
57 1HD PRO 9 HD2 PRO 9 4.319 -2.058 -0.138
58 2HD PRO 9 HD1 PRO 9 5.651 -3.223 -0.262
59 H CYS 10 HN CYS 10 4.715 -1.640 4.643
60 HA CYS 10 HA CYS 10 3.054 0.561 4.224
61 1HB CYS 10 HB2 CYS 10 3.908 -1.020 6.587
62 2HB CYS 10 HB1 CYS 10 3.203 0.561 6.908
Start of MODEL 26
1 1H ALA 1 HT1 ALA 1 4.894 4.686 0.834
2 2H ALA 1 HT2 ALA 1 3.491 4.284 -0.070
3 3H ALA 1 HT3 ALA 1 4.555 3.048 0.463
4 HA ALA 1 HA ALA 1 4.019 3.441 2.698
5 1HB ALA 1 HB1 ALA 1 3.742 5.909 2.405
6 2HB ALA 1 HB2 ALA 1 2.512 5.146 3.413
7 3HB ALA 1 HB3 ALA 1 2.136 5.592 1.749
8 H CYS 2 HN CYS 2 2.475 2.137 3.567
9 HA CYS 2 HA CYS 2 1.151 0.257 2.279
10 1HB CYS 2 HB2 CYS 2 -0.691 1.039 4.301
11 2HB CYS 2 HB1 CYS 2 0.507 -0.241 4.330
12 H LEU 3 HN LEU 3 -0.023 0.415 0.473
13 HA LEU 3 HA LEU 3 -2.013 2.553 0.247
14 1HB LEU 3 HB2 LEU 3 -0.697 0.732 -1.740
15 2HB LEU 3 HB1 LEU 3 -2.163 1.601 -2.153
16 HG LEU 3 HG LEU 3 0.367 2.946 -1.210
17 1HD1 LEU 3 HD11 LEU 3 1.093 2.167 -3.230
18 2HD1 LEU 3 HD12 LEU 3 0.288 3.647 -3.750
19 3HD1 LEU 3 HD13 LEU 3 -0.532 2.095 -3.913
20 1HD2 LEU 3 HD21 LEU 3 -2.127 3.938 -1.162
21 2HD2 LEU 3 HD22 LEU 3 -1.675 4.342 -2.817
22 3HD2 LEU 3 HD23 LEU 3 -0.696 4.921 -1.469
23 HA PRO 4 HA PRO 4 -5.505 0.018 1.193
24 1HB PRO 4 HB2 PRO 4 -6.749 1.361 -1.161
25 2HB PRO 4 HB1 PRO 4 -7.356 1.193 0.490
26 1HG PRO 4 HG2 PRO 4 -6.362 3.509 -0.351
27 2HG PRO 4 HG1 PRO 4 -6.035 2.926 1.292
28 1HD PRO 4 HD2 PRO 4 -4.251 2.956 -1.102
29 2HD PRO 4 HD1 PRO 4 -3.851 3.211 0.610
30 H TRP 5 HN TRP 5 -4.517 0.348 -2.187
31 HA TRP 5 HA TRP 5 -5.672 -2.273 -2.793
32 1HB TRP 5 HB2 TRP 5 -4.407 -1.169 -5.094
33 2HB TRP 5 HB1 TRP 5 -6.125 -1.399 -4.800
34 HD1 TRP 5 HD1 TRP 5 -3.535 1.264 -5.201
35 HE1 TRP 5 HE1 TRP 5 -4.602 3.582 -4.873
36 HE3 TRP 5 HE3 TRP 5 -8.055 -0.184 -3.298
37 HZ2 TRP 5 HZ2 TRP 5 -7.037 4.655 -3.932
38 HZ3 TRP 5 HZ3 TRP 5 -9.697 1.552 -2.709
39 HH2 TRP 5 HH2 TRP 5 -9.196 3.921 -3.020
40 H SER 6 HN SER 6 -2.664 -0.720 -2.198
41 HA SER 6 HA SER 6 -1.288 -3.265 -2.610
42 1HB SER 6 HB2 SER 6 -0.727 -0.719 -4.037
43 2HB SER 6 HB1 SER 6 0.669 -1.629 -3.461
44 HG SER 6 HG SER 6 -0.247 -2.118 -5.650
45 H ASP 7 HN ASP 7 -1.719 -3.018 -0.219
46 HA ASP 7 HA ASP 7 -0.683 -1.161 1.468
47 1HB ASP 7 HB2 ASP 7 -0.186 -3.268 2.999
48 2HB ASP 7 HB1 ASP 7 -1.833 -2.775 2.622
49 H GLY 8 HN GLY 8 1.201 -4.116 1.670
50 1HA GLY 8 HA2 GLY 8 3.460 -4.490 1.261
51 2HA GLY 8 HA1 GLY 8 3.585 -2.864 0.606
52 HA PRO 9 HA PRO 9 5.393 -3.186 4.992
53 1HB PRO 9 HB2 PRO 9 7.980 -2.645 4.322
54 2HB PRO 9 HB1 PRO 9 7.327 -4.284 4.430
55 1HG PRO 9 HG2 PRO 9 7.761 -2.572 2.013
56 2HG PRO 9 HG1 PRO 9 8.096 -4.300 2.236
57 1HD PRO 9 HD2 PRO 9 5.904 -3.415 0.933
58 2HD PRO 9 HD1 PRO 9 5.889 -4.897 1.910
59 H CYS 10 HN CYS 10 4.585 -1.304 5.753
60 HA CYS 10 HA CYS 10 4.812 1.206 4.510
61 1HB CYS 10 HB2 CYS 10 4.456 0.780 7.477
62 2HB CYS 10 HB1 CYS 10 3.883 2.129 6.502
Start of MODEL 27
1 1H ALA 1 HT1 ALA 1 4.125 6.903 2.652
2 2H ALA 1 HT2 ALA 1 4.227 5.268 2.140
3 3H ALA 1 HT3 ALA 1 3.410 5.664 3.597
4 HA ALA 1 HA ALA 1 1.651 6.594 2.533
5 1HB ALA 1 HB1 ALA 1 1.933 6.752 -0.119
6 2HB ALA 1 HB2 ALA 1 3.614 6.993 0.358
7 3HB ALA 1 HB3 ALA 1 2.360 8.071 0.971
8 H CYS 2 HN CYS 2 2.661 3.885 3.006
9 HA CYS 2 HA CYS 2 2.403 1.972 1.183
10 1HB CYS 2 HB2 CYS 2 0.723 1.093 3.306
11 2HB CYS 2 HB1 CYS 2 2.405 0.711 2.996
12 H LEU 3 HN LEU 3 0.819 0.824 0.101
13 HA LEU 3 HA LEU 3 -1.671 2.285 -0.315
14 1HB LEU 3 HB2 LEU 3 -0.274 0.106 -1.842
15 2HB LEU 3 HB1 LEU 3 -1.905 0.618 -2.232
16 HG LEU 3 HG LEU 3 -1.120 2.858 -2.753
17 1HD1 LEU 3 HD11 LEU 3 1.371 3.243 -2.839
18 2HD1 LEU 3 HD12 LEU 3 1.543 1.794 -1.847
19 3HD1 LEU 3 HD13 LEU 3 0.656 3.187 -1.228
20 1HD2 LEU 3 HD21 LEU 3 -1.014 0.960 -4.434
21 2HD2 LEU 3 HD22 LEU 3 0.722 0.920 -4.126
22 3HD2 LEU 3 HD23 LEU 3 -0.024 2.377 -4.782
23 HA PRO 4 HA PRO 4 -3.835 -0.597 2.359
24 1HB PRO 4 HB2 PRO 4 -6.203 0.492 0.946
25 2HB PRO 4 HB1 PRO 4 -5.861 0.419 2.677
26 1HG PRO 4 HG2 PRO 4 -5.728 2.729 1.358
27 2HG PRO 4 HG1 PRO 4 -4.560 2.339 2.634
28 1HD PRO 4 HD2 PRO 4 -4.228 2.230 -0.339
29 2HD PRO 4 HD1 PRO 4 -3.088 2.788 0.904
30 H TRP 5 HN TRP 5 -4.220 -0.329 -1.098
31 HA TRP 5 HA TRP 5 -5.388 -3.027 -1.194
32 1HB TRP 5 HB2 TRP 5 -5.673 -2.172 -3.730
33 2HB TRP 5 HB1 TRP 5 -6.871 -1.873 -2.476
34 HD1 TRP 5 HD1 TRP 5 -3.678 -0.021 -3.713
35 HE1 TRP 5 HE1 TRP 5 -4.224 2.491 -3.831
36 HE3 TRP 5 HE3 TRP 5 -8.511 -0.166 -2.064
37 HZ2 TRP 5 HZ2 TRP 5 -6.416 4.187 -3.294
38 HZ3 TRP 5 HZ3 TRP 5 -9.764 1.945 -1.892
39 HH2 TRP 5 HH2 TRP 5 -8.736 4.076 -2.493
40 H SER 6 HN SER 6 -2.534 -1.278 -1.776
41 HA SER 6 HA SER 6 -1.455 -3.510 -3.360
42 1HB SER 6 HB2 SER 6 -1.680 -1.026 -4.336
43 2HB SER 6 HB1 SER 6 -0.139 -0.844 -3.502
44 HG SER 6 HG SER 6 0.426 -2.878 -4.674
45 H ASP 7 HN ASP 7 1.217 -2.083 -3.026
46 HA ASP 7 HA ASP 7 2.412 -3.592 -1.133
47 1HB ASP 7 HB2 ASP 7 4.154 -1.815 -0.967
48 2HB ASP 7 HB1 ASP 7 3.712 -2.214 -2.624
49 H GLY 8 HN GLY 8 1.001 -3.843 0.629
50 1HA GLY 8 HA2 GLY 8 0.225 -1.661 2.299
51 2HA GLY 8 HA1 GLY 8 0.084 -3.368 2.689
52 HA PRO 9 HA PRO 9 3.481 -3.543 5.484
53 1HB PRO 9 HB2 PRO 9 5.558 -4.726 3.975
54 2HB PRO 9 HB1 PRO 9 4.414 -5.552 5.034
55 1HG PRO 9 HG2 PRO 9 4.363 -5.220 2.080
56 2HG PRO 9 HG1 PRO 9 3.775 -6.565 3.074
57 1HD PRO 9 HD2 PRO 9 2.083 -4.830 1.942
58 2HD PRO 9 HD1 PRO 9 1.773 -5.489 3.562
59 H CYS 10 HN CYS 10 3.828 -1.319 5.605
60 HA CYS 10 HA CYS 10 5.390 0.146 3.754
61 1HB CYS 10 HB2 CYS 10 3.932 0.671 6.164
62 2HB CYS 10 HB1 CYS 10 5.528 1.402 6.296
Start of MODEL 28
1 1H ALA 1 HT1 ALA 1 4.625 5.431 2.545
2 2H ALA 1 HT2 ALA 1 4.398 3.749 2.293
3 3H ALA 1 HT3 ALA 1 3.469 4.575 3.476
4 HA ALA 1 HA ALA 1 2.211 5.658 1.948
5 1HB ALA 1 HB1 ALA 1 3.538 6.638 0.395
6 2HB ALA 1 HB2 ALA 1 2.978 5.279 -0.579
7 3HB ALA 1 HB3 ALA 1 4.558 5.212 0.203
8 H CYS 2 HN CYS 2 2.422 2.918 2.975
9 HA CYS 2 HA CYS 2 1.999 0.831 1.370
10 1HB CYS 2 HB2 CYS 2 -0.125 0.681 3.259
11 2HB CYS 2 HB1 CYS 2 1.443 -0.098 3.295
12 H LEU 3 HN LEU 3 0.829 0.486 -0.372
13 HA LEU 3 HA LEU 3 -1.162 2.157 -1.359
14 1HB LEU 3 HB2 LEU 3 -0.437 -0.698 -1.931
15 2HB LEU 3 HB1 LEU 3 -1.754 0.090 -2.775
16 HG LEU 3 HG LEU 3 -0.306 1.595 -3.868
17 1HD1 LEU 3 HD11 LEU 3 1.921 0.665 -2.061
18 2HD1 LEU 3 HD12 LEU 3 1.052 2.191 -1.904
19 3HD1 LEU 3 HD13 LEU 3 2.037 1.880 -3.333
20 1HD2 LEU 3 HD21 LEU 3 -0.158 -1.018 -4.335
21 2HD2 LEU 3 HD22 LEU 3 1.523 -0.736 -3.884
22 3HD2 LEU 3 HD23 LEU 3 0.809 0.156 -5.228
23 HA PRO 4 HA PRO 4 -4.637 1.075 1.254
24 1HB PRO 4 HB2 PRO 4 -6.226 2.176 -0.992
25 2HB PRO 4 HB1 PRO 4 -6.214 2.644 0.712
26 1HG PRO 4 HG2 PRO 4 -5.096 4.199 -1.145
27 2HG PRO 4 HG1 PRO 4 -4.362 4.014 0.459
28 1HD PRO 4 HD2 PRO 4 -3.582 2.750 -2.141
29 2HD PRO 4 HD1 PRO 4 -2.551 3.405 -0.850
30 H TRP 5 HN TRP 5 -4.933 0.614 -2.256
31 HA TRP 5 HA TRP 5 -6.768 -1.574 -1.980
32 1HB TRP 5 HB2 TRP 5 -6.220 -1.814 -4.509
33 2HB TRP 5 HB1 TRP 5 -7.103 -0.394 -3.960
34 HD1 TRP 5 HD1 TRP 5 -3.275 -1.060 -4.074
35 HE1 TRP 5 HE1 TRP 5 -2.173 0.885 -5.347
36 HE3 TRP 5 HE3 TRP 5 -7.472 1.582 -5.305
37 HZ2 TRP 5 HZ2 TRP 5 -2.977 3.231 -6.694
38 HZ3 TRP 5 HZ3 TRP 5 -7.220 3.667 -6.587
39 HH2 TRP 5 HH2 TRP 5 -5.018 4.474 -7.265
40 H SER 6 HN SER 6 -3.373 -1.268 -1.860
41 HA SER 6 HA SER 6 -3.098 -4.180 -2.127
42 1HB SER 6 HB2 SER 6 -2.069 -2.609 -3.983
43 2HB SER 6 HB1 SER 6 -0.801 -2.376 -2.781
44 HG SER 6 HG SER 6 -1.696 -4.922 -3.642
45 H ASP 7 HN ASP 7 -0.184 -3.743 -1.429
46 HA ASP 7 HA ASP 7 -0.498 -3.057 1.403
47 1HB ASP 7 HB2 ASP 7 1.149 -5.397 0.431
48 2HB ASP 7 HB1 ASP 7 0.728 -4.994 2.093
49 H GLY 8 HN GLY 8 2.393 -4.034 1.681
50 1HA GLY 8 HA2 GLY 8 4.393 -3.072 0.377
51 2HA GLY 8 HA1 GLY 8 3.595 -1.539 0.692
52 HA PRO 9 HA PRO 9 6.506 -2.820 4.228
53 1HB PRO 9 HB2 PRO 9 8.384 -0.885 3.877
54 2HB PRO 9 HB1 PRO 9 8.487 -2.477 3.116
55 1HG PRO 9 HG2 PRO 9 7.542 0.118 1.960
56 2HG PRO 9 HG1 PRO 9 8.583 -1.119 1.231
57 1HD PRO 9 HD2 PRO 9 5.953 -0.911 0.644
58 2HD PRO 9 HD1 PRO 9 6.800 -2.471 0.671
59 H CYS 10 HN CYS 10 5.393 -2.109 5.947
60 HA CYS 10 HA CYS 10 5.519 0.695 6.639
61 1HB CYS 10 HB2 CYS 10 2.939 -0.678 5.955
62 2HB CYS 10 HB1 CYS 10 2.965 0.614 7.150
Start of MODEL 29
1 1H ALA 1 HT1 ALA 1 5.141 6.363 0.181
2 2H ALA 1 HT2 ALA 1 3.900 5.685 -0.792
3 3H ALA 1 HT3 ALA 1 5.215 4.711 -0.272
4 HA ALA 1 HA ALA 1 4.539 4.966 1.989
5 1HB ALA 1 HB1 ALA 1 3.284 7.206 1.193
6 2HB ALA 1 HB2 ALA 1 2.897 6.349 2.685
7 3HB ALA 1 HB3 ALA 1 1.918 6.091 1.242
8 H CYS 2 HN CYS 2 2.024 4.157 2.678
9 HA CYS 2 HA CYS 2 1.860 1.608 1.332
10 1HB CYS 2 HB2 CYS 2 1.402 2.588 3.939
11 2HB CYS 2 HB1 CYS 2 -0.136 1.988 3.351
12 H LEU 3 HN LEU 3 -0.335 0.700 0.858
13 HA LEU 3 HA LEU 3 -2.323 2.678 0.057
14 1HB LEU 3 HB2 LEU 3 -1.487 0.617 -1.951
15 2HB LEU 3 HB1 LEU 3 -2.387 2.100 -2.205
16 HG LEU 3 HG LEU 3 0.518 2.086 -1.408
17 1HD1 LEU 3 HD11 LEU 3 -0.748 1.652 -4.042
18 2HD1 LEU 3 HD12 LEU 3 0.821 1.127 -3.433
19 3HD1 LEU 3 HD13 LEU 3 0.601 2.787 -3.986
20 1HD2 LEU 3 HD21 LEU 3 0.474 4.331 -1.683
21 2HD2 LEU 3 HD22 LEU 3 -1.230 4.110 -1.285
22 3HD2 LEU 3 HD23 LEU 3 -0.731 4.262 -2.970
23 HA PRO 4 HA PRO 4 -5.225 -0.308 1.530
24 1HB PRO 4 HB2 PRO 4 -6.864 0.446 -0.836
25 2HB PRO 4 HB1 PRO 4 -7.296 0.444 0.877
26 1HG PRO 4 HG2 PRO 4 -6.817 2.730 -0.395
27 2HG PRO 4 HG1 PRO 4 -6.267 2.487 1.274
28 1HD PRO 4 HD2 PRO 4 -4.703 2.403 -1.272
29 2HD PRO 4 HD1 PRO 4 -4.238 3.041 0.318
30 H TRP 5 HN TRP 5 -5.465 -0.229 -2.014
31 HA TRP 5 HA TRP 5 -5.873 -3.022 -2.251
32 1HB TRP 5 HB2 TRP 5 -5.316 -2.504 -4.734
33 2HB TRP 5 HB1 TRP 5 -6.762 -1.794 -4.023
34 HD1 TRP 5 HD1 TRP 5 -3.048 -0.666 -4.321
35 HE1 TRP 5 HE1 TRP 5 -3.033 1.811 -5.019
36 HE3 TRP 5 HE3 TRP 5 -8.088 0.145 -4.530
37 HZ2 TRP 5 HZ2 TRP 5 -4.913 3.842 -5.580
38 HZ3 TRP 5 HZ3 TRP 5 -8.899 2.383 -5.153
39 HH2 TRP 5 HH2 TRP 5 -7.343 4.193 -5.666
40 H SER 6 HN SER 6 -3.062 -1.194 -1.746
41 HA SER 6 HA SER 6 -1.415 -3.553 -2.077
42 1HB SER 6 HB2 SER 6 -1.176 -1.135 -3.823
43 2HB SER 6 HB1 SER 6 0.294 -1.979 -3.337
44 HG SER 6 HG SER 6 -0.160 -3.360 -4.839
45 H ASP 7 HN ASP 7 -1.378 -3.281 0.229
46 HA ASP 7 HA ASP 7 -0.634 -1.074 1.668
47 1HB ASP 7 HB2 ASP 7 -0.078 -3.996 2.144
48 2HB ASP 7 HB1 ASP 7 0.373 -2.758 3.313
49 H GLY 8 HN GLY 8 1.808 -3.625 1.475
50 1HA GLY 8 HA2 GLY 8 3.903 -3.241 0.236
51 2HA GLY 8 HA1 GLY 8 3.770 -1.554 0.706
52 HA PRO 9 HA PRO 9 6.553 -3.370 3.838
53 1HB PRO 9 HB2 PRO 9 8.218 -1.282 4.056
54 2HB PRO 9 HB1 PRO 9 8.315 -2.402 2.691
55 1HG PRO 9 HG2 PRO 9 7.066 0.314 2.830
56 2HG PRO 9 HG1 PRO 9 8.059 -0.396 1.544
57 1HD PRO 9 HD2 PRO 9 5.314 -0.270 1.480
58 2HD PRO 9 HD1 PRO 9 6.275 -1.476 0.602
59 H CYS 10 HN CYS 10 4.225 -2.807 4.869
60 HA CYS 10 HA CYS 10 4.784 -0.861 7.006
61 1HB CYS 10 HB2 CYS 10 2.035 -1.369 5.864
62 2HB CYS 10 HB1 CYS 10 2.500 -0.132 7.027
Start of MODEL 30
1 1H ALA 1 HT1 ALA 1 -0.460 2.375 5.409
2 2H ALA 1 HT2 ALA 1 -1.585 1.176 5.899
3 3H ALA 1 HT3 ALA 1 -2.128 2.581 5.078
4 HA ALA 1 HA ALA 1 -0.711 0.245 4.067
5 1HB ALA 1 HB1 ALA 1 -2.455 1.048 2.169
6 2HB ALA 1 HB2 ALA 1 -3.257 1.651 3.620
7 3HB ALA 1 HB3 ALA 1 -2.862 -0.062 3.479
8 H CYS 2 HN CYS 2 1.075 0.554 2.917
9 HA CYS 2 HA CYS 2 1.652 3.159 1.810
10 1HB CYS 2 HB2 CYS 2 3.162 1.066 2.938
11 2HB CYS 2 HB1 CYS 2 3.663 1.193 1.266
12 H LEU 3 HN LEU 3 -0.168 0.821 0.721
13 HA LEU 3 HA LEU 3 0.705 1.212 -2.064
14 1HB LEU 3 HB2 LEU 3 -0.495 -1.344 -1.004
15 2HB LEU 3 HB1 LEU 3 0.045 -1.045 -2.641
16 HG LEU 3 HG LEU 3 1.659 -1.610 -0.192
17 1HD1 LEU 3 HD11 LEU 3 2.884 -2.789 -2.287
18 2HD1 LEU 3 HD12 LEU 3 1.220 -2.747 -2.868
19 3HD1 LEU 3 HD13 LEU 3 1.601 -3.543 -1.342
20 1HD2 LEU 3 HD21 LEU 3 3.556 -0.943 -2.046
21 2HD2 LEU 3 HD22 LEU 3 3.080 0.052 -0.672
22 3HD2 LEU 3 HD23 LEU 3 2.362 0.336 -2.257
23 HA PRO 4 HA PRO 4 -3.357 2.683 -2.931
24 1HB PRO 4 HB2 PRO 4 -3.249 1.042 -5.404
25 2HB PRO 4 HB1 PRO 4 -3.517 2.778 -5.217
26 1HG PRO 4 HG2 PRO 4 -1.191 1.843 -6.127
27 2HG PRO 4 HG1 PRO 4 -1.254 3.244 -5.040
28 1HD PRO 4 HD2 PRO 4 -0.524 0.407 -4.440
29 2HD PRO 4 HD1 PRO 4 0.179 1.912 -3.811
30 H TRP 5 HN TRP 5 -2.632 -0.734 -3.219
31 HA TRP 5 HA TRP 5 -5.467 -1.409 -2.892
32 1HB TRP 5 HB2 TRP 5 -3.750 -3.723 -3.092
33 2HB TRP 5 HB1 TRP 5 -5.057 -3.215 -4.154
34 HD1 TRP 5 HD1 TRP 5 -1.360 -3.598 -4.044
35 HE1 TRP 5 HE1 TRP 5 -0.304 -2.659 -6.195
36 HE3 TRP 5 HE3 TRP 5 -5.419 -1.129 -5.929
37 HZ2 TRP 5 HZ2 TRP 5 -1.088 -1.080 -8.398
38 HZ3 TRP 5 HZ3 TRP 5 -5.183 0.072 -8.064
39 HH2 TRP 5 HH2 TRP 5 -3.061 0.096 -9.271
40 H SER 6 HN SER 6 -3.732 -0.300 -0.772
41 HA SER 6 HA SER 6 -3.412 -0.551 1.456
42 1HB SER 6 HB2 SER 6 -5.593 -1.136 1.900
43 2HB SER 6 HB1 SER 6 -5.526 -2.579 0.891
44 HG SER 6 HG SER 6 -4.440 -3.645 2.492
45 H ASP 7 HN ASP 7 -1.367 -1.028 1.814
46 HA ASP 7 HA ASP 7 -0.525 -3.527 2.689
47 1HB ASP 7 HB2 ASP 7 -0.269 -3.104 -0.208
48 2HB ASP 7 HB1 ASP 7 1.237 -3.567 0.580
49 H GLY 8 HN GLY 8 1.284 -3.232 3.892
50 1HA GLY 8 HA2 GLY 8 2.595 -0.612 3.610
51 2HA GLY 8 HA1 GLY 8 2.489 -1.527 5.100
52 HA PRO 9 HA PRO 9 6.045 -3.634 2.786
53 1HB PRO 9 HB2 PRO 9 6.490 -3.294 0.193
54 2HB PRO 9 HB1 PRO 9 5.132 -4.292 0.734
55 1HG PRO 9 HG2 PRO 9 5.129 -1.457 -0.236
56 2HG PRO 9 HG1 PRO 9 4.007 -2.773 -0.629
57 1HD PRO 9 HD2 PRO 9 3.534 -0.815 1.271
58 2HD PRO 9 HD1 PRO 9 2.753 -2.407 1.235
59 H CYS 10 HN CYS 10 5.790 -0.683 3.516
60 HA CYS 10 HA CYS 10 8.083 0.498 2.183
61 1HB CYS 10 HB2 CYS 10 5.996 1.495 4.090
62 2HB CYS 10 HB1 CYS 10 7.495 2.396 3.894
Start of MODEL 31
1 1H ALA 1 HT1 ALA 1 2.318 -1.741 4.228
2 2H ALA 1 HT2 ALA 1 1.699 -3.315 4.521
3 3H ALA 1 HT3 ALA 1 1.054 -1.966 5.363
4 HA ALA 1 HA ALA 1 0.905 -2.447 2.466
5 1HB ALA 1 HB1 ALA 1 -1.542 -2.317 4.088
6 2HB ALA 1 HB2 ALA 1 -0.520 -3.723 4.383
7 3HB ALA 1 HB3 ALA 1 -1.115 -3.391 2.757
8 H CYS 2 HN CYS 2 1.961 -0.179 2.670
9 HA CYS 2 HA CYS 2 0.030 1.893 3.308
10 1HB CYS 2 HB2 CYS 2 2.829 1.629 3.459
11 2HB CYS 2 HB1 CYS 2 2.509 2.882 2.278
12 H LEU 3 HN LEU 3 0.163 0.034 0.848
13 HA LEU 3 HA LEU 3 0.472 1.873 -1.350
14 1HB LEU 3 HB2 LEU 3 -0.059 -1.012 -1.015
15 2HB LEU 3 HB1 LEU 3 -0.772 -0.282 -2.439
16 HG LEU 3 HG LEU 3 1.652 -1.370 -2.465
17 1HD1 LEU 3 HD11 LEU 3 2.075 -0.213 -4.468
18 2HD1 LEU 3 HD12 LEU 3 1.168 1.202 -3.935
19 3HD1 LEU 3 HD13 LEU 3 0.319 -0.294 -4.322
20 1HD2 LEU 3 HD21 LEU 3 3.402 -0.069 -1.858
21 2HD2 LEU 3 HD22 LEU 3 2.224 0.569 -0.711
22 3HD2 LEU 3 HD23 LEU 3 2.552 1.435 -2.212
23 HA PRO 4 HA PRO 4 -3.564 3.474 -2.045
24 1HB PRO 4 HB2 PRO 4 -3.819 1.817 -4.511
25 2HB PRO 4 HB1 PRO 4 -4.041 3.557 -4.297
26 1HG PRO 4 HG2 PRO 4 -1.841 2.618 -5.450
27 2HG PRO 4 HG1 PRO 4 -1.756 3.984 -4.320
28 1HD PRO 4 HD2 PRO 4 -1.020 1.122 -3.896
29 2HD PRO 4 HD1 PRO 4 -0.242 2.591 -3.272
30 H TRP 5 HN TRP 5 -3.186 0.006 -2.343
31 HA TRP 5 HA TRP 5 -5.830 -0.339 -1.126
32 1HB TRP 5 HB2 TRP 5 -5.964 -2.466 -2.660
33 2HB TRP 5 HB1 TRP 5 -6.457 -0.895 -3.283
34 HD1 TRP 5 HD1 TRP 5 -3.341 -3.202 -3.351
35 HE1 TRP 5 HE1 TRP 5 -2.130 -2.833 -5.591
36 HE3 TRP 5 HE3 TRP 5 -6.252 0.552 -5.238
37 HZ2 TRP 5 HZ2 TRP 5 -2.375 -1.169 -7.858
38 HZ3 TRP 5 HZ3 TRP 5 -5.696 1.478 -7.448
39 HH2 TRP 5 HH2 TRP 5 -3.797 0.635 -8.730
40 H SER 6 HN SER 6 -3.636 -0.395 0.390
41 HA SER 6 HA SER 6 -2.464 -1.635 1.895
42 1HB SER 6 HB2 SER 6 -4.700 -2.556 2.393
43 2HB SER 6 HB1 SER 6 -4.459 -3.792 1.158
44 HG SER 6 HG SER 6 -3.638 -3.777 3.713
45 H ASP 7 HN ASP 7 -0.466 -1.880 1.048
46 HA ASP 7 HA ASP 7 0.452 -4.392 0.273
47 1HB ASP 7 HB2 ASP 7 -0.548 -2.719 -1.924
48 2HB ASP 7 HB1 ASP 7 1.099 -3.298 -2.164
49 H GLY 8 HN GLY 8 2.600 -4.462 0.556
50 1HA GLY 8 HA2 GLY 8 4.764 -3.771 0.903
51 2HA GLY 8 HA1 GLY 8 4.388 -2.358 -0.071
52 HA PRO 9 HA PRO 9 4.788 -1.317 4.559
53 1HB PRO 9 HB2 PRO 9 7.271 -0.251 4.594
54 2HB PRO 9 HB1 PRO 9 6.977 -1.975 4.851
55 1HG PRO 9 HG2 PRO 9 7.857 -0.553 2.367
56 2HG PRO 9 HG1 PRO 9 8.458 -2.071 3.058
57 1HD PRO 9 HD2 PRO 9 6.696 -1.987 0.993
58 2HD PRO 9 HD1 PRO 9 6.720 -3.302 2.185
59 H CYS 10 HN CYS 10 5.827 1.007 5.295
60 HA CYS 10 HA CYS 10 4.499 2.937 3.534
61 1HB CYS 10 HB2 CYS 10 5.269 3.067 6.452
62 2HB CYS 10 HB1 CYS 10 4.617 4.436 5.559
Start of MODEL 32
1 1H ALA 1 HT1 ALA 1 4.251 6.392 3.483
2 2H ALA 1 HT2 ALA 1 3.308 7.809 3.708
3 3H ALA 1 HT3 ALA 1 3.686 7.269 2.123
4 HA ALA 1 HA ALA 1 2.133 5.698 4.057
5 1HB ALA 1 HB1 ALA 1 0.132 6.452 2.933
6 2HB ALA 1 HB2 ALA 1 1.086 7.463 1.848
7 3HB ALA 1 HB3 ALA 1 1.013 7.841 3.569
8 H CYS 2 HN CYS 2 1.683 3.698 3.339
9 HA CYS 2 HA CYS 2 2.817 2.862 0.819
10 1HB CYS 2 HB2 CYS 2 2.371 1.705 3.356
11 2HB CYS 2 HB1 CYS 2 1.418 0.786 2.208
12 H LEU 3 HN LEU 3 1.115 0.713 0.221
13 HA LEU 3 HA LEU 3 -1.304 2.139 -0.677
14 1HB LEU 3 HB2 LEU 3 -0.863 -0.169 -2.272
15 2HB LEU 3 HB1 LEU 3 -0.840 1.513 -2.758
16 HG LEU 3 HG LEU 3 1.550 0.005 -1.695
17 1HD1 LEU 3 HD11 LEU 3 0.494 0.441 -4.443
18 2HD1 LEU 3 HD12 LEU 3 1.290 -0.971 -3.748
19 3HD1 LEU 3 HD13 LEU 3 2.239 0.448 -4.189
20 1HD2 LEU 3 HD21 LEU 3 2.193 2.130 -1.288
21 2HD2 LEU 3 HD22 LEU 3 1.040 2.816 -2.433
22 3HD2 LEU 3 HD23 LEU 3 2.550 2.113 -3.015
23 HA PRO 4 HA PRO 4 -3.225 -0.849 2.153
24 1HB PRO 4 HB2 PRO 4 -5.630 0.348 0.866
25 2HB PRO 4 HB1 PRO 4 -5.280 0.091 2.580
26 1HG PRO 4 HG2 PRO 4 -5.127 2.526 1.520
27 2HG PRO 4 HG1 PRO 4 -3.946 1.985 2.727
28 1HD PRO 4 HD2 PRO 4 -3.649 2.248 -0.234
29 2HD PRO 4 HD1 PRO 4 -2.470 2.574 1.052
30 H TRP 5 HN TRP 5 -4.940 -0.238 -0.909
31 HA TRP 5 HA TRP 5 -5.895 -2.833 -1.262
32 1HB TRP 5 HB2 TRP 5 -5.928 -2.091 -3.774
33 2HB TRP 5 HB1 TRP 5 -6.968 -1.282 -2.607
34 HD1 TRP 5 HD1 TRP 5 -3.313 -0.682 -3.813
35 HE1 TRP 5 HE1 TRP 5 -3.042 1.836 -4.270
36 HE3 TRP 5 HE3 TRP 5 -8.029 0.872 -2.604
37 HZ2 TRP 5 HZ2 TRP 5 -4.620 4.173 -4.133
38 HZ3 TRP 5 HZ3 TRP 5 -8.567 3.266 -2.792
39 HH2 TRP 5 HH2 TRP 5 -6.896 4.881 -3.540
40 H SER 6 HN SER 6 -2.761 -1.497 -1.900
41 HA SER 6 HA SER 6 -1.926 -4.078 -3.045
42 1HB SER 6 HB2 SER 6 -0.707 -1.397 -3.730
43 2HB SER 6 HB1 SER 6 -0.349 -2.953 -4.476
44 HG SER 6 HG SER 6 -2.508 -2.983 -5.246
45 H ASP 7 HN ASP 7 0.862 -2.757 -2.988
46 HA ASP 7 HA ASP 7 1.947 -4.020 -0.838
47 1HB ASP 7 HB2 ASP 7 2.963 -1.387 -1.913
48 2HB ASP 7 HB1 ASP 7 3.904 -2.643 -1.113
49 H GLY 8 HN GLY 8 0.545 -3.769 0.934
50 1HA GLY 8 HA2 GLY 8 0.067 -1.207 2.129
51 2HA GLY 8 HA1 GLY 8 -0.316 -2.771 2.831
52 HA PRO 9 HA PRO 9 3.107 -2.718 5.598
53 1HB PRO 9 HB2 PRO 9 4.784 -4.774 4.833
54 2HB PRO 9 HB1 PRO 9 3.317 -4.979 5.796
55 1HG PRO 9 HG2 PRO 9 3.732 -5.377 2.863
56 2HG PRO 9 HG1 PRO 9 2.788 -6.351 4.005
57 1HD PRO 9 HD2 PRO 9 1.610 -4.630 2.322
58 2HD PRO 9 HD1 PRO 9 0.996 -4.880 3.970
59 H CYS 10 HN CYS 10 4.341 -0.945 5.404
60 HA CYS 10 HA CYS 10 6.245 -0.758 3.184
61 1HB CYS 10 HB2 CYS 10 4.718 1.171 4.760
62 2HB CYS 10 HB1 CYS 10 6.413 1.616 4.600
Start of MODEL 33
1 1H ALA 1 HT1 ALA 1 -0.827 4.508 4.218
2 2H ALA 1 HT2 ALA 1 0.550 4.658 5.231
3 3H ALA 1 HT3 ALA 1 -0.765 3.664 5.709
4 HA ALA 1 HA ALA 1 1.234 2.518 4.836
5 1HB ALA 1 HB1 ALA 1 -1.591 2.136 4.114
6 2HB ALA 1 HB2 ALA 1 -0.455 1.032 4.889
7 3HB ALA 1 HB3 ALA 1 -0.433 1.233 3.138
8 H CYS 2 HN CYS 2 1.410 1.366 2.434
9 HA CYS 2 HA CYS 2 2.456 3.459 0.786
10 1HB CYS 2 HB2 CYS 2 3.084 0.775 1.300
11 2HB CYS 2 HB1 CYS 2 2.678 0.889 -0.400
12 H LEU 3 HN LEU 3 0.855 0.621 -0.255
13 HA LEU 3 HA LEU 3 -0.614 2.151 -2.258
14 1HB LEU 3 HB2 LEU 3 0.018 -0.763 -1.940
15 2HB LEU 3 HB1 LEU 3 -1.217 -0.228 -3.060
16 HG LEU 3 HG LEU 3 1.058 -0.657 -4.055
17 1HD1 LEU 3 HD11 LEU 3 0.739 0.928 -5.674
18 2HD1 LEU 3 HD12 LEU 3 0.360 2.200 -4.512
19 3HD1 LEU 3 HD13 LEU 3 -0.836 0.958 -4.881
20 1HD2 LEU 3 HD21 LEU 3 2.432 0.267 -2.286
21 2HD2 LEU 3 HD22 LEU 3 1.734 1.866 -2.547
22 3HD2 LEU 3 HD23 LEU 3 2.733 1.125 -3.797
23 HA PRO 4 HA PRO 4 -4.435 2.028 -0.016
24 1HB PRO 4 HB2 PRO 4 -5.733 1.791 -2.669
25 2HB PRO 4 HB1 PRO 4 -5.948 3.019 -1.418
26 1HG PRO 4 HG2 PRO 4 -4.617 3.566 -3.663
27 2HG PRO 4 HG1 PRO 4 -4.095 4.230 -2.103
28 1HD PRO 4 HD2 PRO 4 -2.970 1.934 -3.660
29 2HD PRO 4 HD1 PRO 4 -2.125 3.202 -2.747
30 H TRP 5 HN TRP 5 -4.403 -0.065 -2.897
31 HA TRP 5 HA TRP 5 -5.945 -2.068 -1.417
32 1HB TRP 5 HB2 TRP 5 -5.937 -3.142 -3.826
33 2HB TRP 5 HB1 TRP 5 -7.025 -1.814 -3.437
34 HD1 TRP 5 HD1 TRP 5 -3.517 -2.271 -5.039
35 HE1 TRP 5 HE1 TRP 5 -3.259 -0.506 -6.894
36 HE3 TRP 5 HE3 TRP 5 -7.944 0.204 -4.423
37 HZ2 TRP 5 HZ2 TRP 5 -4.737 1.653 -7.953
38 HZ3 TRP 5 HZ3 TRP 5 -8.447 2.110 -5.896
39 HH2 TRP 5 HH2 TRP 5 -6.874 2.819 -7.624
40 H SER 6 HN SER 6 -3.074 -1.582 -0.966
41 HA SER 6 HA SER 6 -2.191 -4.184 -0.625
42 1HB SER 6 HB2 SER 6 -2.011 -4.479 -2.993
43 2HB SER 6 HB1 SER 6 -1.203 -2.924 -3.189
44 HG SER 6 HG SER 6 -0.157 -5.163 -1.789
45 H ASP 7 HN ASP 7 -2.141 -2.065 0.987
46 HA ASP 7 HA ASP 7 -0.285 -0.214 1.245
47 1HB ASP 7 HB2 ASP 7 0.076 -1.135 3.699
48 2HB ASP 7 HB1 ASP 7 -1.468 -0.457 3.195
49 H GLY 8 HN GLY 8 0.641 -3.419 2.523
50 1HA GLY 8 HA2 GLY 8 2.614 -4.596 2.254
51 2HA GLY 8 HA1 GLY 8 3.123 -3.404 1.069
52 HA PRO 9 HA PRO 9 5.076 -2.750 5.421
53 1HB PRO 9 HB2 PRO 9 7.311 -4.270 5.275
54 2HB PRO 9 HB1 PRO 9 5.782 -4.885 5.915
55 1HG PRO 9 HG2 PRO 9 6.975 -5.244 3.191
56 2HG PRO 9 HG1 PRO 9 6.183 -6.442 4.232
57 1HD PRO 9 HD2 PRO 9 4.912 -5.238 2.165
58 2HD PRO 9 HD1 PRO 9 4.069 -5.744 3.642
59 H CYS 10 HN CYS 10 5.271 -0.734 4.155
60 HA CYS 10 HA CYS 10 7.739 -0.422 2.639
61 1HB CYS 10 HB2 CYS 10 5.263 1.207 3.014
62 2HB CYS 10 HB1 CYS 10 6.743 2.026 2.528
Start of MODEL 34
1 1H ALA 1 HT1 ALA 1 3.174 7.986 1.208
2 2H ALA 1 HT2 ALA 1 2.349 7.018 0.056
3 3H ALA 1 HT3 ALA 1 4.018 6.758 0.361
4 HA ALA 1 HA ALA 1 3.627 5.929 2.462
5 1HB ALA 1 HB1 ALA 1 1.038 5.800 3.078
6 2HB ALA 1 HB2 ALA 1 1.015 7.278 2.116
7 3HB ALA 1 HB3 ALA 1 2.057 7.165 3.535
8 H CYS 2 HN CYS 2 3.841 3.819 2.221
9 HA CYS 2 HA CYS 2 3.339 2.232 0.162
10 1HB CYS 2 HB2 CYS 2 2.657 0.613 2.400
11 2HB CYS 2 HB1 CYS 2 4.183 0.732 1.547
12 H LEU 3 HN LEU 3 1.738 0.888 -0.643
13 HA LEU 3 HA LEU 3 -0.883 1.831 -0.609
14 1HB LEU 3 HB2 LEU 3 0.559 -0.410 -1.753
15 2HB LEU 3 HB1 LEU 3 -1.079 -0.847 -1.331
16 HG LEU 3 HG LEU 3 -0.565 0.020 -3.713
17 1HD1 LEU 3 HD11 LEU 3 -2.773 0.456 -3.944
18 2HD1 LEU 3 HD12 LEU 3 -2.829 1.511 -2.531
19 3HD1 LEU 3 HD13 LEU 3 -2.807 -0.241 -2.324
20 1HD2 LEU 3 HD21 LEU 3 -1.143 2.723 -2.671
21 2HD2 LEU 3 HD22 LEU 3 -0.207 2.222 -4.080
22 3HD2 LEU 3 HD23 LEU 3 0.508 2.136 -2.469
23 HA PRO 4 HA PRO 4 -2.001 0.311 3.504
24 1HB PRO 4 HB2 PRO 4 -4.642 1.300 2.564
25 2HB PRO 4 HB1 PRO 4 -3.781 1.644 4.068
26 1HG PRO 4 HG2 PRO 4 -3.912 3.470 2.140
27 2HG PRO 4 HG1 PRO 4 -2.422 3.246 3.076
28 1HD PRO 4 HD2 PRO 4 -3.081 2.321 0.308
29 2HD PRO 4 HD1 PRO 4 -1.557 2.973 0.946
30 H TRP 5 HN TRP 5 -3.319 -0.543 0.409
31 HA TRP 5 HA TRP 5 -4.215 -3.089 1.533
32 1HB TRP 5 HB2 TRP 5 -6.144 -2.513 -0.412
33 2HB TRP 5 HB1 TRP 5 -6.378 -2.552 1.331
34 HD1 TRP 5 HD1 TRP 5 -7.007 -0.318 2.483
35 HE1 TRP 5 HE1 TRP 5 -7.252 2.120 1.695
36 HE3 TRP 5 HE3 TRP 5 -5.040 -0.774 -2.209
37 HZ2 TRP 5 HZ2 TRP 5 -6.691 3.647 -0.609
38 HZ3 TRP 5 HZ3 TRP 5 -4.930 1.221 -3.645
39 HH2 TRP 5 HH2 TRP 5 -5.739 3.386 -2.859
40 H SER 6 HN SER 6 -1.954 -2.175 -0.186
41 HA SER 6 HA SER 6 -2.057 -4.316 -2.060
42 1HB SER 6 HB2 SER 6 -1.735 -1.656 -3.398
43 2HB SER 6 HB1 SER 6 -2.182 -3.208 -4.099
44 HG SER 6 HG SER 6 -3.875 -1.486 -3.724
45 H ASP 7 HN ASP 7 -0.131 -2.634 -3.772
46 HA ASP 7 HA ASP 7 2.242 -3.653 -2.873
47 1HB ASP 7 HB2 ASP 7 1.441 -1.619 -4.820
48 2HB ASP 7 HB1 ASP 7 3.076 -1.407 -4.201
49 H GLY 8 HN GLY 8 2.200 -3.279 -0.561
50 1HA GLY 8 HA2 GLY 8 4.040 -1.605 0.447
51 2HA GLY 8 HA1 GLY 8 2.625 -0.566 0.375
52 HA PRO 9 HA PRO 9 1.934 -4.100 3.664
53 1HB PRO 9 HB2 PRO 9 4.210 -4.766 4.985
54 2HB PRO 9 HB1 PRO 9 3.634 -5.642 3.562
55 1HG PRO 9 HG2 PRO 9 5.738 -3.521 3.757
56 2HG PRO 9 HG1 PRO 9 5.762 -5.038 2.838
57 1HD PRO 9 HD2 PRO 9 5.218 -2.652 1.685
58 2HD PRO 9 HD1 PRO 9 4.483 -4.168 1.127
59 H CYS 10 HN CYS 10 1.151 -1.882 4.257
60 HA CYS 10 HA CYS 10 2.318 -1.126 6.820
61 1HB CYS 10 HB2 CYS 10 1.746 0.900 4.648
62 2HB CYS 10 HB1 CYS 10 2.283 1.262 6.284
Start of MODEL 35
1 1H ALA 1 HT1 ALA 1 2.813 4.658 5.132
2 2H ALA 1 HT2 ALA 1 3.240 3.190 4.353
3 3H ALA 1 HT3 ALA 1 1.642 3.424 4.934
4 HA ALA 1 HA ALA 1 1.123 4.929 3.327
5 1HB ALA 1 HB1 ALA 1 2.562 6.336 2.298
6 2HB ALA 1 HB2 ALA 1 3.814 5.105 2.123
7 3HB ALA 1 HB3 ALA 1 3.588 5.921 3.671
8 H CYS 2 HN CYS 2 1.434 2.033 3.505
9 HA CYS 2 HA CYS 2 2.484 0.785 1.314
10 1HB CYS 2 HB2 CYS 2 -0.008 -0.479 1.846
11 2HB CYS 2 HB1 CYS 2 1.600 -0.956 2.343
12 H LEU 3 HN LEU 3 0.785 -0.462 -0.257
13 HA LEU 3 HA LEU 3 0.104 1.392 -2.228
14 1HB LEU 3 HB2 LEU 3 -0.235 -1.481 -1.790
15 2HB LEU 3 HB1 LEU 3 -1.500 -0.777 -2.779
16 HG LEU 3 HG LEU 3 0.439 0.246 -4.153
17 1HD1 LEU 3 HD11 LEU 3 1.977 -2.104 -3.137
18 2HD1 LEU 3 HD12 LEU 3 2.076 -0.555 -2.301
19 3HD1 LEU 3 HD13 LEU 3 2.549 -0.674 -3.996
20 1HD2 LEU 3 HD21 LEU 3 -0.181 -2.704 -4.164
21 2HD2 LEU 3 HD22 LEU 3 0.634 -1.845 -5.471
22 3HD2 LEU 3 HD23 LEU 3 -1.029 -1.435 -5.048
23 HA PRO 4 HA PRO 4 -3.974 2.910 -1.536
24 1HB PRO 4 HB2 PRO 4 -5.098 1.354 -3.799
25 2HB PRO 4 HB1 PRO 4 -5.089 3.100 -3.529
26 1HG PRO 4 HG2 PRO 4 -3.495 2.003 -5.356
27 2HG PRO 4 HG1 PRO 4 -2.929 3.347 -4.345
28 1HD PRO 4 HD2 PRO 4 -2.355 0.417 -4.101
29 2HD PRO 4 HD1 PRO 4 -1.259 1.800 -3.895
30 H TRP 5 HN TRP 5 -3.788 -0.532 -2.168
31 HA TRP 5 HA TRP 5 -6.113 -0.969 -0.414
32 1HB TRP 5 HB2 TRP 5 -5.956 -3.334 -1.569
33 2HB TRP 5 HB1 TRP 5 -6.748 -1.990 -2.385
34 HD1 TRP 5 HD1 TRP 5 -3.074 -3.270 -2.239
35 HE1 TRP 5 HE1 TRP 5 -2.145 -3.270 -4.640
36 HE3 TRP 5 HE3 TRP 5 -7.189 -1.504 -4.696
37 HZ2 TRP 5 HZ2 TRP 5 -3.041 -2.605 -7.233
38 HZ3 TRP 5 HZ3 TRP 5 -7.073 -1.212 -7.136
39 HH2 TRP 5 HH2 TRP 5 -5.040 -1.750 -8.377
40 H SER 6 HN SER 6 -3.291 -0.523 0.366
41 HA SER 6 HA SER 6 -1.807 -1.310 1.895
42 1HB SER 6 HB2 SER 6 -4.080 -1.885 3.017
43 2HB SER 6 HB1 SER 6 -3.693 -3.547 2.574
44 HG SER 6 HG SER 6 -2.593 -1.934 4.512
45 H ASP 7 HN ASP 7 -0.203 -1.989 0.532
46 HA ASP 7 HA ASP 7 0.289 -4.809 0.438
47 1HB ASP 7 HB2 ASP 7 -1.251 -4.389 -1.534
48 2HB ASP 7 HB1 ASP 7 0.039 -3.413 -2.228
49 H GLY 8 HN GLY 8 2.378 -4.970 0.889
50 1HA GLY 8 HA2 GLY 8 4.670 -4.684 0.269
51 2HA GLY 8 HA1 GLY 8 4.252 -3.119 -0.414
52 HA PRO 9 HA PRO 9 6.232 -2.087 3.576
53 1HB PRO 9 HB2 PRO 9 7.070 0.377 2.811
54 2HB PRO 9 HB1 PRO 9 7.960 -1.100 2.423
55 1HG PRO 9 HG2 PRO 9 6.080 0.482 0.713
56 2HG PRO 9 HG1 PRO 9 7.643 -0.239 0.285
57 1HD PRO 9 HD2 PRO 9 5.281 -1.398 -0.352
58 2HD PRO 9 HD1 PRO 9 6.740 -2.342 0.012
59 H CYS 10 HN CYS 10 4.999 -1.397 5.198
60 HA CYS 10 HA CYS 10 2.973 0.668 4.656
61 1HB CYS 10 HB2 CYS 10 3.064 -1.639 6.575
62 2HB CYS 10 HB1 CYS 10 2.030 -0.254 6.906
Start of MODEL 36
1 1H ALA 1 HT1 ALA 1 2.804 6.428 3.141
2 2H ALA 1 HT2 ALA 1 1.343 7.310 3.322
3 3H ALA 1 HT3 ALA 1 1.768 6.654 1.794
4 HA ALA 1 HA ALA 1 1.340 5.013 4.187
5 1HB ALA 1 HB1 ALA 1 -0.611 6.268 2.360
6 2HB ALA 1 HB2 ALA 1 -0.789 5.759 4.039
7 3HB ALA 1 HB3 ALA 1 -0.872 4.567 2.742
8 H CYS 2 HN CYS 2 0.175 2.913 3.070
9 HA CYS 2 HA CYS 2 2.252 1.834 1.377
10 1HB CYS 2 HB2 CYS 2 0.520 0.855 3.384
11 2HB CYS 2 HB1 CYS 2 0.112 0.004 1.907
12 H LEU 3 HN LEU 3 0.782 -0.124 0.023
13 HA LEU 3 HA LEU 3 0.130 1.121 -2.359
14 1HB LEU 3 HB2 LEU 3 -0.322 -1.556 -1.184
15 2HB LEU 3 HB1 LEU 3 -1.339 -1.136 -2.546
16 HG LEU 3 HG LEU 3 1.001 -2.373 -2.832
17 1HD1 LEU 3 HD11 LEU 3 0.938 -1.791 -5.108
18 2HD1 LEU 3 HD12 LEU 3 0.192 -0.229 -4.769
19 3HD1 LEU 3 HD13 LEU 3 -0.731 -1.715 -4.545
20 1HD2 LEU 3 HD21 LEU 3 2.840 -1.023 -3.172
21 2HD2 LEU 3 HD22 LEU 3 2.080 -0.251 -1.780
22 3HD2 LEU 3 HD23 LEU 3 1.866 0.431 -3.393
23 HA PRO 4 HA PRO 4 -3.953 2.758 -2.283
24 1HB PRO 4 HB2 PRO 4 -4.829 0.735 -4.283
25 2HB PRO 4 HB1 PRO 4 -4.932 2.498 -4.346
26 1HG PRO 4 HG2 PRO 4 -3.119 1.198 -5.795
27 2HG PRO 4 HG1 PRO 4 -2.718 2.735 -5.005
28 1HD PRO 4 HD2 PRO 4 -1.993 -0.054 -4.209
29 2HD PRO 4 HD1 PRO 4 -1.028 1.434 -4.114
30 H TRP 5 HN TRP 5 -3.968 -0.788 -2.508
31 HA TRP 5 HA TRP 5 -6.215 -0.829 -0.603
32 1HB TRP 5 HB2 TRP 5 -6.108 -3.368 -1.706
33 2HB TRP 5 HB1 TRP 5 -7.228 -2.091 -2.163
34 HD1 TRP 5 HD1 TRP 5 -7.150 -1.334 -4.620
35 HE1 TRP 5 HE1 TRP 5 -5.576 -1.749 -6.613
36 HE3 TRP 5 HE3 TRP 5 -3.398 -3.808 -2.189
37 HZ2 TRP 5 HZ2 TRP 5 -3.074 -2.964 -7.091
38 HZ3 TRP 5 HZ3 TRP 5 -1.448 -4.565 -3.487
39 HH2 TRP 5 HH2 TRP 5 -1.291 -4.149 -5.888
40 H SER 6 HN SER 6 -3.687 -0.482 0.397
41 HA SER 6 HA SER 6 -2.207 -1.289 1.920
42 1HB SER 6 HB2 SER 6 -3.045 -2.744 3.570
43 2HB SER 6 HB1 SER 6 -4.480 -1.928 2.951
44 HG SER 6 HG SER 6 -3.909 -4.547 2.968
45 H ASP 7 HN ASP 7 -0.418 -1.969 0.908
46 HA ASP 7 HA ASP 7 0.208 -4.689 0.737
47 1HB ASP 7 HB2 ASP 7 -1.322 -4.690 -1.185
48 2HB ASP 7 HB1 ASP 7 -0.382 -3.408 -1.938
49 H GLY 8 HN GLY 8 2.328 -4.744 1.057
50 1HA GLY 8 HA2 GLY 8 4.512 -4.163 -0.022
51 2HA GLY 8 HA1 GLY 8 3.945 -2.500 0.013
52 HA PRO 9 HA PRO 9 6.311 -3.625 3.961
53 1HB PRO 9 HB2 PRO 9 8.538 -2.143 3.549
54 2HB PRO 9 HB1 PRO 9 8.389 -3.813 2.988
55 1HG PRO 9 HG2 PRO 9 8.042 -1.263 1.459
56 2HG PRO 9 HG1 PRO 9 8.879 -2.751 0.979
57 1HD PRO 9 HD2 PRO 9 6.369 -2.134 0.144
58 2HD PRO 9 HD1 PRO 9 6.924 -3.804 0.376
59 H CYS 10 HN CYS 10 5.213 -2.468 5.429
60 HA CYS 10 HA CYS 10 5.760 0.377 5.648
61 1HB CYS 10 HB2 CYS 10 2.951 -0.712 5.385
62 2HB CYS 10 HB1 CYS 10 3.339 0.922 5.914
Start of MODEL 37
1 1H ALA 1 HT1 ALA 1 -0.573 1.738 5.704
2 2H ALA 1 HT2 ALA 1 1.125 1.990 5.742
3 3H ALA 1 HT3 ALA 1 0.450 0.568 6.427
4 HA ALA 1 HA ALA 1 1.307 -0.116 4.442
5 1HB ALA 1 HB1 ALA 1 -1.614 0.283 4.554
6 2HB ALA 1 HB2 ALA 1 -0.673 -1.200 4.388
7 3HB ALA 1 HB3 ALA 1 -0.947 -0.168 2.984
8 H CYS 2 HN CYS 2 2.236 0.384 2.535
9 HA CYS 2 HA CYS 2 1.907 3.102 1.555
10 1HB CYS 2 HB2 CYS 2 4.064 1.319 1.888
11 2HB CYS 2 HB1 CYS 2 3.897 1.589 0.167
12 H LEU 3 HN LEU 3 0.137 0.644 1.056
13 HA LEU 3 HA LEU 3 0.041 0.923 -1.874
14 1HB LEU 3 HB2 LEU 3 0.050 -1.473 -0.182
15 2HB LEU 3 HB1 LEU 3 -1.218 -1.461 -1.392
16 HG LEU 3 HG LEU 3 1.457 -0.740 -2.396
17 1HD1 LEU 3 HD11 LEU 3 1.557 -2.730 -0.610
18 2HD1 LEU 3 HD12 LEU 3 2.553 -2.688 -2.064
19 3HD1 LEU 3 HD13 LEU 3 1.073 -3.646 -2.037
20 1HD2 LEU 3 HD21 LEU 3 0.108 -1.037 -4.171
21 2HD2 LEU 3 HD22 LEU 3 -1.002 -2.083 -3.285
22 3HD2 LEU 3 HD23 LEU 3 0.496 -2.742 -3.943
23 HA PRO 4 HA PRO 4 -3.904 2.814 -0.655
24 1HB PRO 4 HB2 PRO 4 -4.149 2.815 -3.623
25 2HB PRO 4 HB1 PRO 4 -4.421 4.127 -2.471
26 1HG PRO 4 HG2 PRO 4 -2.225 4.080 -3.970
27 2HG PRO 4 HG1 PRO 4 -2.157 4.602 -2.275
28 1HD PRO 4 HD2 PRO 4 -1.310 2.011 -3.500
29 2HD PRO 4 HD1 PRO 4 -0.561 2.935 -2.181
30 H TRP 5 HN TRP 5 -3.372 0.213 -2.961
31 HA TRP 5 HA TRP 5 -6.082 -0.793 -2.387
32 1HB TRP 5 HB2 TRP 5 -5.403 -2.156 -4.624
33 2HB TRP 5 HB1 TRP 5 -6.269 -0.624 -4.641
34 HD1 TRP 5 HD1 TRP 5 -2.663 -1.969 -5.031
35 HE1 TRP 5 HE1 TRP 5 -1.359 -0.335 -6.532
36 HE3 TRP 5 HE3 TRP 5 -6.225 1.657 -5.568
37 HZ2 TRP 5 HZ2 TRP 5 -1.784 2.162 -7.777
38 HZ3 TRP 5 HZ3 TRP 5 -5.697 3.637 -6.929
39 HH2 TRP 5 HH2 TRP 5 -3.521 3.884 -8.009
40 H SER 6 HN SER 6 -3.259 -1.233 -1.146
41 HA SER 6 HA SER 6 -3.672 -4.021 -0.603
42 1HB SER 6 HB2 SER 6 -2.153 -3.627 -2.772
43 2HB SER 6 HB1 SER 6 -0.905 -3.430 -1.542
44 HG SER 6 HG SER 6 -1.868 -5.512 -0.698
45 H ASP 7 HN ASP 7 -0.782 -4.168 0.263
46 HA ASP 7 HA ASP 7 -1.016 -2.436 2.629
47 1HB ASP 7 HB2 ASP 7 -0.234 -5.308 2.357
48 2HB ASP 7 HB1 ASP 7 0.506 -4.350 3.637
49 H GLY 8 HN GLY 8 1.710 -4.485 1.691
50 1HA GLY 8 HA2 GLY 8 3.943 -3.953 1.488
51 2HA GLY 8 HA1 GLY 8 3.339 -2.787 0.323
52 HA PRO 9 HA PRO 9 4.128 -0.657 4.681
53 1HB PRO 9 HB2 PRO 9 6.479 -1.579 5.749
54 2HB PRO 9 HB1 PRO 9 4.881 -2.145 6.245
55 1HG PRO 9 HG2 PRO 9 6.832 -3.395 4.353
56 2HG PRO 9 HG1 PRO 9 5.823 -4.163 5.593
57 1HD PRO 9 HD2 PRO 9 5.168 -4.231 2.984
58 2HD PRO 9 HD1 PRO 9 3.934 -4.129 4.257
59 H CYS 10 HN CYS 10 5.077 1.270 4.410
60 HA CYS 10 HA CYS 10 6.662 1.889 2.213
61 1HB CYS 10 HB2 CYS 10 6.467 3.410 4.821
62 2HB CYS 10 HB1 CYS 10 7.042 4.061 3.290
Start of MODEL 38
1 1H ALA 1 HT1 ALA 1 1.261 0.988 5.567
2 2H ALA 1 HT2 ALA 1 0.261 -0.263 6.184
3 3H ALA 1 HT3 ALA 1 -0.323 1.349 6.112
4 HA ALA 1 HA ALA 1 0.124 -0.577 3.966
5 1HB ALA 1 HB1 ALA 1 -2.137 0.303 3.312
6 2HB ALA 1 HB2 ALA 1 -2.144 1.202 4.829
7 3HB ALA 1 HB3 ALA 1 -2.079 -0.560 4.848
8 H CYS 2 HN CYS 2 1.766 0.303 2.743
9 HA CYS 2 HA CYS 2 1.596 3.086 1.942
10 1HB CYS 2 HB2 CYS 2 3.669 1.236 2.409
11 2HB CYS 2 HB1 CYS 2 3.736 1.645 0.708
12 H LEU 3 HN LEU 3 -0.089 0.676 0.992
13 HA LEU 3 HA LEU 3 0.203 1.234 -1.885
14 1HB LEU 3 HB2 LEU 3 -0.389 -1.329 -0.454
15 2HB LEU 3 HB1 LEU 3 -0.970 -1.085 -2.090
16 HG LEU 3 HG LEU 3 1.910 -1.081 -1.187
17 1HD1 LEU 3 HD11 LEU 3 2.065 -3.036 -2.690
18 2HD1 LEU 3 HD12 LEU 3 0.318 -2.966 -2.918
19 3HD1 LEU 3 HD13 LEU 3 0.986 -3.303 -1.321
20 1HD2 LEU 3 HD21 LEU 3 2.078 0.410 -2.893
21 2HD2 LEU 3 HD22 LEU 3 0.605 -0.154 -3.681
22 3HD2 LEU 3 HD23 LEU 3 2.099 -1.078 -3.839
23 HA PRO 4 HA PRO 4 -3.881 2.968 -1.674
24 1HB PRO 4 HB2 PRO 4 -4.121 1.965 -4.461
25 2HB PRO 4 HB1 PRO 4 -4.353 3.599 -3.829
26 1HG PRO 4 HG2 PRO 4 -2.173 2.987 -5.223
27 2HG PRO 4 HG1 PRO 4 -2.076 4.055 -3.810
28 1HD PRO 4 HD2 PRO 4 -1.333 1.167 -4.061
29 2HD PRO 4 HD1 PRO 4 -0.510 2.471 -3.180
30 H TRP 5 HN TRP 5 -3.708 -0.024 -3.605
31 HA TRP 5 HA TRP 5 -6.237 -0.879 -2.383
32 1HB TRP 5 HB2 TRP 5 -5.868 -2.698 -4.337
33 2HB TRP 5 HB1 TRP 5 -6.685 -1.161 -4.594
34 HD1 TRP 5 HD1 TRP 5 -5.839 0.109 -6.641
35 HE1 TRP 5 HE1 TRP 5 -3.657 0.187 -8.002
36 HE3 TRP 5 HE3 TRP 5 -3.026 -3.108 -3.844
37 HZ2 TRP 5 HZ2 TRP 5 -1.080 -0.963 -7.901
38 HZ3 TRP 5 HZ3 TRP 5 -0.711 -3.566 -4.541
39 HH2 TRP 5 HH2 TRP 5 0.240 -2.514 -6.528
40 H SER 6 HN SER 6 -3.522 -1.069 -1.152
41 HA SER 6 HA SER 6 -3.784 -3.731 -0.153
42 1HB SER 6 HB2 SER 6 -2.528 -4.168 -2.235
43 2HB SER 6 HB1 SER 6 -1.287 -3.027 -1.719
44 HG SER 6 HG SER 6 -1.085 -5.449 -1.274
45 H ASP 7 HN ASP 7 -0.845 -3.619 0.587
46 HA ASP 7 HA ASP 7 -0.892 -1.349 2.433
47 1HB ASP 7 HB2 ASP 7 0.194 -3.147 4.088
48 2HB ASP 7 HB1 ASP 7 -1.540 -2.855 4.022
49 H GLY 8 HN GLY 8 1.357 -4.079 2.452
50 1HA GLY 8 HA2 GLY 8 3.600 -4.197 1.990
51 2HA GLY 8 HA1 GLY 8 3.333 -2.931 0.803
52 HA PRO 9 HA PRO 9 5.226 -1.307 4.968
53 1HB PRO 9 HB2 PRO 9 7.806 -2.137 4.953
54 2HB PRO 9 HB1 PRO 9 6.516 -3.046 5.749
55 1HG PRO 9 HG2 PRO 9 7.762 -3.485 3.062
56 2HG PRO 9 HG1 PRO 9 7.339 -4.676 4.306
57 1HD PRO 9 HD2 PRO 9 5.783 -4.221 2.137
58 2HD PRO 9 HD1 PRO 9 5.112 -4.694 3.711
59 H CYS 10 HN CYS 10 5.938 0.729 4.774
60 HA CYS 10 HA CYS 10 6.713 1.780 2.263
61 1HB CYS 10 HB2 CYS 10 6.954 3.050 4.999
62 2HB CYS 10 HB1 CYS 10 7.014 3.896 3.457
Start of MODEL 39
1 1H ALA 1 HT1 ALA 1 -2.247 0.987 3.790
2 2H ALA 1 HT2 ALA 1 -2.165 2.595 4.385
3 3H ALA 1 HT3 ALA 1 -1.946 1.270 5.453
4 HA ALA 1 HA ALA 1 0.118 2.315 4.929
5 1HB ALA 1 HB1 ALA 1 -0.417 -0.335 5.015
6 2HB ALA 1 HB2 ALA 1 1.205 0.347 4.904
7 3HB ALA 1 HB3 ALA 1 0.381 -0.211 3.448
8 H CYS 2 HN CYS 2 1.904 1.952 3.106
9 HA CYS 2 HA CYS 2 1.735 3.741 1.195
10 1HB CYS 2 HB2 CYS 2 3.008 1.595 -0.122
11 2HB CYS 2 HB1 CYS 2 3.730 2.959 0.709
12 H LEU 3 HN LEU 3 1.361 0.513 0.135
13 HA LEU 3 HA LEU 3 0.195 0.949 -2.304
14 1HB LEU 3 HB2 LEU 3 0.200 -1.325 -0.406
15 2HB LEU 3 HB1 LEU 3 -0.988 -1.380 -1.694
16 HG LEU 3 HG LEU 3 0.746 -1.284 -3.375
17 1HD1 LEU 3 HD11 LEU 3 2.637 -1.002 -1.047
18 2HD1 LEU 3 HD12 LEU 3 2.329 0.178 -2.321
19 3HD1 LEU 3 HD13 LEU 3 3.134 -1.343 -2.704
20 1HD2 LEU 3 HD21 LEU 3 0.404 -3.495 -2.895
21 2HD2 LEU 3 HD22 LEU 3 0.930 -3.329 -1.220
22 3HD2 LEU 3 HD23 LEU 3 2.122 -3.355 -2.520
23 HA PRO 4 HA PRO 4 -3.682 2.868 -0.938
24 1HB PRO 4 HB2 PRO 4 -4.136 2.825 -3.871
25 2HB PRO 4 HB1 PRO 4 -4.248 4.174 -2.735
26 1HG PRO 4 HG2 PRO 4 -2.200 3.992 -4.425
27 2HG PRO 4 HG1 PRO 4 -1.957 4.554 -2.759
28 1HD PRO 4 HD2 PRO 4 -1.380 1.871 -3.959
29 2HD PRO 4 HD1 PRO 4 -0.421 2.817 -2.800
30 H TRP 5 HN TRP 5 -3.240 0.184 -3.138
31 HA TRP 5 HA TRP 5 -5.992 -0.710 -2.614
32 1HB TRP 5 HB2 TRP 5 -5.145 -2.404 -4.548
33 2HB TRP 5 HB1 TRP 5 -5.943 -0.870 -4.875
34 HD1 TRP 5 HD1 TRP 5 -2.285 -2.104 -4.414
35 HE1 TRP 5 HE1 TRP 5 -0.808 -0.839 -6.097
36 HE3 TRP 5 HE3 TRP 5 -5.839 0.916 -6.501
37 HZ2 TRP 5 HZ2 TRP 5 -1.108 1.174 -8.050
38 HZ3 TRP 5 HZ3 TRP 5 -5.162 2.486 -8.271
39 HH2 TRP 5 HH2 TRP 5 -2.844 2.612 -9.028
40 H SER 6 HN SER 6 -3.253 -1.043 -1.106
41 HA SER 6 HA SER 6 -3.873 -3.609 -0.037
42 1HB SER 6 HB2 SER 6 -1.190 -3.359 -1.408
43 2HB SER 6 HB1 SER 6 -1.891 -4.798 -0.668
44 HG SER 6 HG SER 6 -2.618 -3.509 -3.070
45 H ASP 7 HN ASP 7 -0.944 -3.836 0.755
46 HA ASP 7 HA ASP 7 -0.821 -1.559 2.605
47 1HB ASP 7 HB2 ASP 7 0.277 -3.481 4.142
48 2HB ASP 7 HB1 ASP 7 -1.433 -3.066 4.195
49 H GLY 8 HN GLY 8 1.287 -4.397 2.344
50 1HA GLY 8 HA2 GLY 8 3.493 -4.598 1.748
51 2HA GLY 8 HA1 GLY 8 3.277 -3.164 0.756
52 HA PRO 9 HA PRO 9 5.470 -2.193 4.921
53 1HB PRO 9 HB2 PRO 9 7.944 -3.230 4.772
54 2HB PRO 9 HB1 PRO 9 6.580 -4.163 5.399
55 1HG PRO 9 HG2 PRO 9 7.845 -4.246 2.688
56 2HG PRO 9 HG1 PRO 9 7.300 -5.588 3.710
57 1HD PRO 9 HD2 PRO 9 5.847 -4.582 1.619
58 2HD PRO 9 HD1 PRO 9 5.123 -5.383 3.027
59 H CYS 10 HN CYS 10 6.458 -0.253 5.006
60 HA CYS 10 HA CYS 10 8.385 0.521 2.973
61 1HB CYS 10 HB2 CYS 10 5.911 2.193 3.451
62 2HB CYS 10 HB1 CYS 10 7.212 2.533 2.315
Start of MODEL 40
1 1H ALA 1 HT1 ALA 1 5.223 5.011 3.098
2 2H ALA 1 HT2 ALA 1 4.768 6.593 2.612
3 3H ALA 1 HT3 ALA 1 4.821 5.320 1.461
4 HA ALA 1 HA ALA 1 3.090 5.189 3.813
5 1HB ALA 1 HB1 ALA 1 2.030 6.161 1.207
6 2HB ALA 1 HB2 ALA 1 2.832 7.308 2.280
7 3HB ALA 1 HB3 ALA 1 1.418 6.415 2.842
8 H CYS 2 HN CYS 2 1.354 3.687 3.469
9 HA CYS 2 HA CYS 2 2.154 1.453 1.827
10 1HB CYS 2 HB2 CYS 2 0.759 1.841 4.256
11 2HB CYS 2 HB1 CYS 2 -0.361 1.083 3.143
12 H LEU 3 HN LEU 3 0.432 0.281 0.568
13 HA LEU 3 HA LEU 3 -1.012 2.235 -1.061
14 1HB LEU 3 HB2 LEU 3 -0.234 -0.629 -1.544
15 2HB LEU 3 HB1 LEU 3 -1.305 0.249 -2.615
16 HG LEU 3 HG LEU 3 1.561 0.977 -2.002
17 1HD1 LEU 3 HD11 LEU 3 2.193 -0.080 -3.884
18 2HD1 LEU 3 HD12 LEU 3 0.704 0.323 -4.738
19 3HD1 LEU 3 HD13 LEU 3 0.733 -1.028 -3.605
20 1HD2 LEU 3 HD21 LEU 3 -0.641 2.391 -3.379
21 2HD2 LEU 3 HD22 LEU 3 0.942 2.432 -4.155
22 3HD2 LEU 3 HD23 LEU 3 0.752 3.032 -2.508
23 HA PRO 4 HA PRO 4 -4.957 1.268 0.678
24 1HB PRO 4 HB2 PRO 4 -6.000 1.616 -2.078
25 2HB PRO 4 HB1 PRO 4 -6.460 2.443 -0.586
26 1HG PRO 4 HG2 PRO 4 -5.006 3.685 -2.440
27 2HG PRO 4 HG1 PRO 4 -4.692 3.937 -0.712
28 1HD PRO 4 HD2 PRO 4 -3.194 2.263 -2.689
29 2HD PRO 4 HD1 PRO 4 -2.575 3.282 -1.372
30 H TRP 5 HN TRP 5 -4.339 -0.142 -2.541
31 HA TRP 5 HA TRP 5 -5.835 -2.529 -1.687
32 1HB TRP 5 HB2 TRP 5 -5.579 -2.894 -4.354
33 2HB TRP 5 HB1 TRP 5 -6.936 -2.059 -3.610
34 HD1 TRP 5 HD1 TRP 5 -7.492 0.113 -4.817
35 HE1 TRP 5 HE1 TRP 5 -6.181 1.905 -6.117
36 HE3 TRP 5 HE3 TRP 5 -2.789 -1.841 -4.375
37 HZ2 TRP 5 HZ2 TRP 5 -3.507 2.423 -6.856
38 HZ3 TRP 5 HZ3 TRP 5 -0.909 -0.636 -5.407
39 HH2 TRP 5 HH2 TRP 5 -1.262 1.452 -6.621
40 H SER 6 HN SER 6 -3.032 -1.969 -1.027
41 HA SER 6 HA SER 6 -1.943 -4.496 -1.365
42 1HB SER 6 HB2 SER 6 -1.681 -4.138 -3.706
43 2HB SER 6 HB1 SER 6 -1.043 -2.513 -3.459
44 HG SER 6 HG SER 6 0.210 -4.989 -3.179
45 H ASP 7 HN ASP 7 -2.020 -3.131 0.820
46 HA ASP 7 HA ASP 7 -0.462 -1.239 1.754
47 1HB ASP 7 HB2 ASP 7 -0.677 -4.029 2.874
48 2HB ASP 7 HB1 ASP 7 0.118 -2.721 3.744
49 H GLY 8 HN GLY 8 1.050 -4.465 1.770
50 1HA GLY 8 HA2 GLY 8 3.225 -5.115 1.442
51 2HA GLY 8 HA1 GLY 8 3.290 -3.847 0.229
52 HA PRO 9 HA PRO 9 6.453 -2.075 2.815
53 1HB PRO 9 HB2 PRO 9 6.449 0.434 1.703
54 2HB PRO 9 HB1 PRO 9 7.283 -0.957 1.003
55 1HG PRO 9 HG2 PRO 9 4.615 0.203 0.301
56 2HG PRO 9 HG1 PRO 9 5.894 -0.398 -0.772
57 1HD PRO 9 HD2 PRO 9 3.716 -1.867 -0.215
58 2HD PRO 9 HD1 PRO 9 5.312 -2.614 -0.430
59 H CYS 10 HN CYS 10 5.191 -2.123 4.745
60 HA CYS 10 HA CYS 10 3.887 0.445 5.374
61 1HB CYS 10 HB2 CYS 10 2.965 -2.287 5.702
62 2HB CYS 10 HB1 CYS 10 2.976 -1.429 7.240
Start of MODEL 41
1 1H ALA 1 HT1 ALA 1 2.069 5.920 3.601
2 2H ALA 1 HT2 ALA 1 3.554 6.779 3.561
3 3H ALA 1 HT3 ALA 1 3.553 5.066 3.674
4 HA ALA 1 HA ALA 1 2.355 6.501 1.419
5 1HB ALA 1 HB1 ALA 1 4.619 5.696 0.331
6 2HB ALA 1 HB2 ALA 1 5.211 5.894 1.981
7 3HB ALA 1 HB3 ALA 1 4.490 7.262 1.133
8 H CYS 2 HN CYS 2 1.324 4.256 2.789
9 HA CYS 2 HA CYS 2 2.141 1.897 1.339
10 1HB CYS 2 HB2 CYS 2 0.880 2.466 3.803
11 2HB CYS 2 HB1 CYS 2 -0.271 1.557 2.844
12 H LEU 3 HN LEU 3 0.402 0.526 0.331
13 HA LEU 3 HA LEU 3 -1.260 2.232 -1.378
14 1HB LEU 3 HB2 LEU 3 0.346 -0.089 -1.822
15 2HB LEU 3 HB1 LEU 3 -1.311 -0.467 -2.253
16 HG LEU 3 HG LEU 3 0.258 1.871 -3.341
17 1HD1 LEU 3 HD11 LEU 3 -0.546 -0.354 -5.093
18 2HD1 LEU 3 HD12 LEU 3 0.747 -0.705 -3.947
19 3HD1 LEU 3 HD13 LEU 3 0.922 0.623 -5.094
20 1HD2 LEU 3 HD21 LEU 3 -1.908 2.548 -3.602
21 2HD2 LEU 3 HD22 LEU 3 -2.532 0.900 -3.676
22 3HD2 LEU 3 HD23 LEU 3 -1.707 1.594 -5.071
23 HA PRO 4 HA PRO 4 -4.915 1.014 0.864
24 1HB PRO 4 HB2 PRO 4 -6.271 1.540 -1.725
25 2HB PRO 4 HB1 PRO 4 -6.596 2.218 -0.127
26 1HG PRO 4 HG2 PRO 4 -5.407 3.687 -1.996
27 2HG PRO 4 HG1 PRO 4 -4.891 3.787 -0.301
28 1HD PRO 4 HD2 PRO 4 -3.612 2.342 -2.590
29 2HD PRO 4 HD1 PRO 4 -2.855 3.288 -1.291
30 H TRP 5 HN TRP 5 -4.586 -0.075 -2.509
31 HA TRP 5 HA TRP 5 -6.052 -2.520 -1.858
32 1HB TRP 5 HB2 TRP 5 -5.070 -2.262 -4.606
33 2HB TRP 5 HB1 TRP 5 -6.697 -2.582 -4.017
34 HD1 TRP 5 HD1 TRP 5 -8.169 -0.344 -3.325
35 HE1 TRP 5 HE1 TRP 5 -8.125 2.018 -4.347
36 HE3 TRP 5 HE3 TRP 5 -3.633 -0.559 -5.663
37 HZ2 TRP 5 HZ2 TRP 5 -6.393 3.583 -5.934
38 HZ3 TRP 5 HZ3 TRP 5 -2.852 1.412 -6.912
39 HH2 TRP 5 HH2 TRP 5 -4.205 3.440 -7.044
40 H SER 6 HN SER 6 -3.213 -1.863 -1.038
41 HA SER 6 HA SER 6 -2.109 -4.367 -1.021
42 1HB SER 6 HB2 SER 6 -1.832 -4.476 -3.366
43 2HB SER 6 HB1 SER 6 -1.299 -2.798 -3.467
44 HG SER 6 HG SER 6 0.112 -5.065 -2.575
45 H ASP 7 HN ASP 7 -1.885 -3.152 1.023
46 HA ASP 7 HA ASP 7 -0.439 -0.959 1.606
47 1HB ASP 7 HB2 ASP 7 -0.122 -3.552 3.126
48 2HB ASP 7 HB1 ASP 7 0.087 -1.922 3.758
49 H GLY 8 HN GLY 8 1.157 -4.154 1.701
50 1HA GLY 8 HA2 GLY 8 3.221 -4.764 0.811
51 2HA GLY 8 HA1 GLY 8 3.422 -3.121 0.222
52 HA PRO 9 HA PRO 9 6.469 -3.412 3.609
53 1HB PRO 9 HB2 PRO 9 8.005 -1.348 2.719
54 2HB PRO 9 HB1 PRO 9 8.152 -2.999 2.104
55 1HG PRO 9 HG2 PRO 9 6.705 -0.659 0.924
56 2HG PRO 9 HG1 PRO 9 7.729 -1.863 0.120
57 1HD PRO 9 HD2 PRO 9 5.032 -1.983 0.048
58 2HD PRO 9 HD1 PRO 9 6.044 -3.441 0.062
59 H CYS 10 HN CYS 10 5.432 -2.668 5.388
60 HA CYS 10 HA CYS 10 5.540 0.158 5.931
61 1HB CYS 10 HB2 CYS 10 2.942 -1.251 5.458
62 2HB CYS 10 HB1 CYS 10 3.019 0.028 6.665
Start of MODEL 42
1 1H ALA 1 HT1 ALA 1 4.030 6.148 2.428
2 2H ALA 1 HT2 ALA 1 2.806 5.769 1.285
3 3H ALA 1 HT3 ALA 1 4.402 5.176 1.066
4 HA ALA 1 HA ALA 1 4.241 3.770 2.889
5 1HB ALA 1 HB1 ALA 1 2.759 3.965 4.580
6 2HB ALA 1 HB2 ALA 1 1.436 4.435 3.513
7 3HB ALA 1 HB3 ALA 1 2.645 5.624 3.995
8 H CYS 2 HN CYS 2 2.442 1.945 3.202
9 HA CYS 2 HA CYS 2 2.246 0.462 0.982
10 1HB CYS 2 HB2 CYS 2 -0.198 -0.011 2.359
11 2HB CYS 2 HB1 CYS 2 1.296 -0.923 2.416
12 H LEU 3 HN LEU 3 0.407 -0.160 -0.391
13 HA LEU 3 HA LEU 3 -0.755 2.170 -1.604
14 1HB LEU 3 HB2 LEU 3 -1.014 -0.770 -2.225
15 2HB LEU 3 HB1 LEU 3 -1.741 0.497 -3.188
16 HG LEU 3 HG LEU 3 0.999 -0.505 -3.183
17 1HD1 LEU 3 HD11 LEU 3 0.077 -0.648 -5.245
18 2HD1 LEU 3 HD12 LEU 3 0.788 0.959 -5.395
19 3HD1 LEU 3 HD13 LEU 3 -0.926 0.785 -5.020
20 1HD2 LEU 3 HD21 LEU 3 0.558 2.477 -3.127
21 2HD2 LEU 3 HD22 LEU 3 2.039 1.685 -3.665
22 3HD2 LEU 3 HD23 LEU 3 1.513 1.526 -1.989
23 HA PRO 4 HA PRO 4 -4.852 2.457 -0.044
24 1HB PRO 4 HB2 PRO 4 -5.856 1.535 -2.705
25 2HB PRO 4 HB1 PRO 4 -6.347 2.935 -1.743
26 1HG PRO 4 HG2 PRO 4 -4.773 3.266 -3.844
27 2HG PRO 4 HG1 PRO 4 -4.466 4.171 -2.349
28 1HD PRO 4 HD2 PRO 4 -3.036 1.799 -3.461
29 2HD PRO 4 HD1 PRO 4 -2.387 3.193 -2.574
30 H TRP 5 HN TRP 5 -4.334 -0.401 -2.074
31 HA TRP 5 HA TRP 5 -6.185 -1.907 -0.361
32 1HB TRP 5 HB2 TRP 5 -5.398 -3.532 -2.528
33 2HB TRP 5 HB1 TRP 5 -6.955 -2.752 -2.282
34 HD1 TRP 5 HD1 TRP 5 -7.610 -0.869 -3.950
35 HE1 TRP 5 HE1 TRP 5 -6.440 0.258 -5.947
36 HE3 TRP 5 HE3 TRP 5 -2.920 -2.780 -3.321
37 HZ2 TRP 5 HZ2 TRP 5 -3.866 0.325 -7.103
38 HZ3 TRP 5 HZ3 TRP 5 -1.157 -2.141 -4.914
39 HH2 TRP 5 HH2 TRP 5 -1.622 -0.617 -6.766
40 H SER 6 HN SER 6 -3.558 -1.220 0.527
41 HA SER 6 HA SER 6 -1.798 -2.155 1.617
42 1HB SER 6 HB2 SER 6 -3.574 -3.638 2.534
43 2HB SER 6 HB1 SER 6 -3.266 -4.770 1.216
44 HG SER 6 HG SER 6 -1.344 -3.926 3.128
45 H ASP 7 HN ASP 7 0.052 -2.082 0.554
46 HA ASP 7 HA ASP 7 1.150 -4.253 -0.802
47 1HB ASP 7 HB2 ASP 7 -0.582 -2.684 -2.452
48 2HB ASP 7 HB1 ASP 7 1.074 -2.452 -3.004
49 H GLY 8 HN GLY 8 2.932 -3.754 0.420
50 1HA GLY 8 HA2 GLY 8 5.128 -2.649 -0.272
51 2HA GLY 8 HA1 GLY 8 4.221 -1.154 -0.104
52 HA PRO 9 HA PRO 9 6.221 -1.796 3.975
53 1HB PRO 9 HB2 PRO 9 6.570 0.831 4.520
54 2HB PRO 9 HB1 PRO 9 7.689 -0.087 3.505
55 1HG PRO 9 HG2 PRO 9 5.477 1.760 2.694
56 2HG PRO 9 HG1 PRO 9 7.118 1.622 2.036
57 1HD PRO 9 HD2 PRO 9 4.949 0.512 0.836
58 2HD PRO 9 HD1 PRO 9 6.575 -0.190 0.726
59 H CYS 10 HN CYS 10 4.537 -2.494 5.210
60 HA CYS 10 HA CYS 10 2.715 -0.425 6.234
61 1HB CYS 10 HB2 CYS 10 1.989 -2.682 4.671
62 2HB CYS 10 HB1 CYS 10 1.419 -2.978 6.310
Start of MODEL 43
1 1H ALA 1 HT1 ALA 1 -0.141 3.288 5.070
2 2H ALA 1 HT2 ALA 1 1.428 2.625 4.860
3 3H ALA 1 HT3 ALA 1 0.230 1.748 5.722
4 HA ALA 1 HA ALA 1 0.254 0.735 3.709
5 1HB ALA 1 HB1 ALA 1 -1.846 1.485 2.587
6 2HB ALA 1 HB2 ALA 1 -1.865 2.876 3.671
7 3HB ALA 1 HB3 ALA 1 -1.999 1.245 4.327
8 H CYS 2 HN CYS 2 1.788 0.828 2.165
9 HA CYS 2 HA CYS 2 2.444 3.271 0.860
10 1HB CYS 2 HB2 CYS 2 3.684 0.788 1.308
11 2HB CYS 2 HB1 CYS 2 3.565 0.978 -0.428
12 H LEU 3 HN LEU 3 0.110 1.032 0.442
13 HA LEU 3 HA LEU 3 -0.555 2.070 -2.201
14 1HB LEU 3 HB2 LEU 3 -0.451 -0.877 -1.590
15 2HB LEU 3 HB1 LEU 3 -1.127 -0.180 -3.043
16 HG LEU 3 HG LEU 3 1.225 0.818 -3.409
17 1HD1 LEU 3 HD11 LEU 3 2.927 0.206 -2.106
18 2HD1 LEU 3 HD12 LEU 3 2.403 -1.477 -2.065
19 3HD1 LEU 3 HD13 LEU 3 1.701 -0.309 -0.951
20 1HD2 LEU 3 HD21 LEU 3 -0.001 -1.201 -4.518
21 2HD2 LEU 3 HD22 LEU 3 1.190 -2.154 -3.633
22 3HD2 LEU 3 HD23 LEU 3 1.720 -0.943 -4.801
23 HA PRO 4 HA PRO 4 -4.534 2.345 -0.235
24 1HB PRO 4 HB2 PRO 4 -5.646 2.356 -2.969
25 2HB PRO 4 HB1 PRO 4 -5.755 3.584 -1.705
26 1HG PRO 4 HG2 PRO 4 -4.222 3.945 -3.868
27 2HG PRO 4 HG1 PRO 4 -3.729 4.541 -2.271
28 1HD PRO 4 HD2 PRO 4 -2.814 2.104 -3.754
29 2HD PRO 4 HD1 PRO 4 -1.870 3.263 -2.794
30 H TRP 5 HN TRP 5 -3.720 -0.098 -2.560
31 HA TRP 5 HA TRP 5 -6.063 -1.676 -1.724
32 1HB TRP 5 HB2 TRP 5 -5.242 -3.029 -3.883
33 2HB TRP 5 HB1 TRP 5 -6.360 -1.674 -3.981
34 HD1 TRP 5 HD1 TRP 5 -2.472 -1.868 -3.896
35 HE1 TRP 5 HE1 TRP 5 -1.573 -0.401 -5.810
36 HE3 TRP 5 HE3 TRP 5 -6.914 -0.268 -5.842
37 HZ2 TRP 5 HZ2 TRP 5 -2.613 1.224 -7.871
38 HZ3 TRP 5 HZ3 TRP 5 -6.879 1.242 -7.783
39 HH2 TRP 5 HH2 TRP 5 -4.771 1.973 -8.775
40 H SER 6 HN SER 6 -2.739 -1.421 -1.334
41 HA SER 6 HA SER 6 -2.610 -3.901 0.085
42 1HB SER 6 HB2 SER 6 -2.239 -4.404 -2.466
43 2HB SER 6 HB1 SER 6 -0.634 -3.741 -2.164
44 HG SER 6 HG SER 6 -1.821 -5.864 -0.700
45 H ASP 7 HN ASP 7 -2.154 -2.207 1.633
46 HA ASP 7 HA ASP 7 -0.507 -0.268 1.963
47 1HB ASP 7 HB2 ASP 7 -0.323 -2.738 3.696
48 2HB ASP 7 HB1 ASP 7 0.298 -1.154 4.149
49 H GLY 8 HN GLY 8 1.082 -3.443 2.347
50 1HA GLY 8 HA2 GLY 8 3.043 -4.152 1.252
51 2HA GLY 8 HA1 GLY 8 3.296 -2.508 0.686
52 HA PRO 9 HA PRO 9 5.989 -3.396 4.446
53 1HB PRO 9 HB2 PRO 9 8.398 -3.578 3.272
54 2HB PRO 9 HB1 PRO 9 7.314 -4.971 3.388
55 1HG PRO 9 HG2 PRO 9 7.811 -3.145 1.067
56 2HG PRO 9 HG1 PRO 9 7.664 -4.913 1.088
57 1HD PRO 9 HD2 PRO 9 5.629 -3.232 0.371
58 2HD PRO 9 HD1 PRO 9 5.372 -4.843 1.071
59 H CYS 10 HN CYS 10 5.160 -1.100 4.567
60 HA CYS 10 HA CYS 10 7.412 0.734 4.155
61 1HB CYS 10 HB2 CYS 10 4.600 1.066 3.185
62 2HB CYS 10 HB1 CYS 10 5.508 2.490 3.681
Start of MODEL 44
1 1H ALA 1 HT1 ALA 1 2.611 5.947 4.540
2 2H ALA 1 HT2 ALA 1 1.989 7.522 4.259
3 3H ALA 1 HT3 ALA 1 3.142 6.848 3.182
4 HA ALA 1 HA ALA 1 0.333 6.120 3.584
5 1HB ALA 1 HB1 ALA 1 2.006 7.195 1.353
6 2HB ALA 1 HB2 ALA 1 0.448 7.756 1.958
7 3HB ALA 1 HB3 ALA 1 0.541 6.280 0.998
8 H CYS 2 HN CYS 2 -0.265 4.058 3.353
9 HA CYS 2 HA CYS 2 1.751 2.075 2.757
10 1HB CYS 2 HB2 CYS 2 -0.570 2.236 4.374
11 2HB CYS 2 HB1 CYS 2 -0.863 0.985 3.186
12 H LEU 3 HN LEU 3 0.415 0.040 1.589
13 HA LEU 3 HA LEU 3 0.331 0.785 -1.125
14 1HB LEU 3 HB2 LEU 3 -0.228 -1.667 0.433
15 2HB LEU 3 HB1 LEU 3 -0.956 -1.580 -1.158
16 HG LEU 3 HG LEU 3 1.987 -1.432 -0.512
17 1HD1 LEU 3 HD11 LEU 3 2.185 -3.548 -1.441
18 2HD1 LEU 3 HD12 LEU 3 0.629 -3.442 -2.264
19 3HD1 LEU 3 HD13 LEU 3 0.688 -3.661 -0.515
20 1HD2 LEU 3 HD21 LEU 3 1.991 -0.088 -2.339
21 2HD2 LEU 3 HD22 LEU 3 0.455 -0.713 -2.941
22 3HD2 LEU 3 HD23 LEU 3 1.936 -1.643 -3.171
23 HA PRO 4 HA PRO 4 -3.763 2.643 -1.113
24 1HB PRO 4 HB2 PRO 4 -3.407 2.368 -4.048
25 2HB PRO 4 HB1 PRO 4 -3.819 3.795 -3.091
26 1HG PRO 4 HG2 PRO 4 -1.384 3.509 -4.133
27 2HG PRO 4 HG1 PRO 4 -1.611 4.212 -2.520
28 1HD PRO 4 HD2 PRO 4 -0.707 1.465 -3.284
29 2HD PRO 4 HD1 PRO 4 -0.145 2.513 -1.965
30 H TRP 5 HN TRP 5 -2.846 -0.268 -2.850
31 HA TRP 5 HA TRP 5 -5.685 -1.051 -2.942
32 1HB TRP 5 HB2 TRP 5 -4.319 -2.830 -4.590
33 2HB TRP 5 HB1 TRP 5 -5.307 -1.470 -5.108
34 HD1 TRP 5 HD1 TRP 5 -1.643 -2.491 -4.621
35 HE1 TRP 5 HE1 TRP 5 -0.155 -0.855 -5.937
36 HE3 TRP 5 HE3 TRP 5 -5.209 0.885 -6.042
37 HZ2 TRP 5 HZ2 TRP 5 -0.453 1.550 -7.384
38 HZ3 TRP 5 HZ3 TRP 5 -4.524 2.826 -7.390
39 HH2 TRP 5 HH2 TRP 5 -2.195 3.150 -8.046
40 H SER 6 HN SER 6 -2.908 -1.598 -1.211
41 HA SER 6 HA SER 6 -4.004 -3.918 0.040
42 1HB SER 6 HB2 SER 6 -1.308 -4.312 -1.252
43 2HB SER 6 HB1 SER 6 -2.360 -5.526 -0.525
44 HG SER 6 HG SER 6 -2.284 -4.679 -3.060
45 H ASP 7 HN ASP 7 -1.168 -4.659 0.846
46 HA ASP 7 HA ASP 7 -0.779 -2.463 2.765
47 1HB ASP 7 HB2 ASP 7 0.459 -4.486 4.014
48 2HB ASP 7 HB1 ASP 7 -1.260 -4.164 4.210
49 H GLY 8 HN GLY 8 1.266 -5.225 1.839
50 1HA GLY 8 HA2 GLY 8 3.407 -5.310 1.015
51 2HA GLY 8 HA1 GLY 8 3.129 -3.709 0.346
52 HA PRO 9 HA PRO 9 6.173 -3.561 3.963
53 1HB PRO 9 HB2 PRO 9 8.417 -2.944 2.591
54 2HB PRO 9 HB1 PRO 9 7.906 -4.614 2.867
55 1HG PRO 9 HG2 PRO 9 7.551 -2.902 0.434
56 2HG PRO 9 HG1 PRO 9 8.050 -4.601 0.543
57 1HD PRO 9 HD2 PRO 9 5.516 -3.849 -0.074
58 2HD PRO 9 HD1 PRO 9 5.888 -5.350 0.798
59 H CYS 10 HN CYS 10 4.762 -1.674 4.292
60 HA CYS 10 HA CYS 10 5.371 0.781 2.925
61 1HB CYS 10 HB2 CYS 10 3.804 0.474 5.487
62 2HB CYS 10 HB1 CYS 10 3.711 1.789 4.321
Start of MODEL 45
1 1H ALA 1 HT1 ALA 1 2.748 7.729 2.572
2 2H ALA 1 HT2 ALA 1 3.543 6.363 3.241
3 3H ALA 1 HT3 ALA 1 2.664 7.431 4.257
4 HA ALA 1 HA ALA 1 1.240 5.719 4.047
5 1HB ALA 1 HB1 ALA 1 0.304 7.948 3.328
6 2HB ALA 1 HB2 ALA 1 -0.589 6.528 2.781
7 3HB ALA 1 HB3 ALA 1 0.472 7.387 1.664
8 H CYS 2 HN CYS 2 1.031 3.700 3.313
9 HA CYS 2 HA CYS 2 2.439 2.921 0.916
10 1HB CYS 2 HB2 CYS 2 1.807 1.741 3.403
11 2HB CYS 2 HB1 CYS 2 1.010 0.780 2.173
12 H LEU 3 HN LEU 3 0.915 0.697 0.165
13 HA LEU 3 HA LEU 3 -1.160 2.013 -1.372
14 1HB LEU 3 HB2 LEU 3 0.377 -0.468 -1.554
15 2HB LEU 3 HB1 LEU 3 -1.284 -0.631 -2.050
16 HG LEU 3 HG LEU 3 0.627 -0.017 -3.763
17 1HD1 LEU 3 HD11 LEU 3 -1.587 1.616 -4.508
18 2HD1 LEU 3 HD12 LEU 3 -2.182 0.182 -3.673
19 3HD1 LEU 3 HD13 LEU 3 -1.143 0.011 -5.087
20 1HD2 LEU 3 HD21 LEU 3 1.002 2.257 -4.110
21 2HD2 LEU 3 HD22 LEU 3 1.129 2.072 -2.360
22 3HD2 LEU 3 HD23 LEU 3 -0.342 2.734 -3.072
23 HA PRO 4 HA PRO 4 -4.299 1.007 1.701
24 1HB PRO 4 HB2 PRO 4 -5.953 1.537 -0.731
25 2HB PRO 4 HB1 PRO 4 -6.161 2.132 0.921
26 1HG PRO 4 HG2 PRO 4 -5.171 3.725 -0.952
27 2HG PRO 4 HG1 PRO 4 -4.496 3.741 0.689
28 1HD PRO 4 HD2 PRO 4 -3.391 2.532 -1.805
29 2HD PRO 4 HD1 PRO 4 -2.542 3.310 -0.453
30 H TRP 5 HN TRP 5 -3.766 -0.470 -1.412
31 HA TRP 5 HA TRP 5 -4.788 -2.984 -0.447
32 1HB TRP 5 HB2 TRP 5 -6.253 -3.024 -2.689
33 2HB TRP 5 HB1 TRP 5 -6.899 -2.450 -1.153
34 HD1 TRP 5 HD1 TRP 5 -8.004 -0.136 -1.251
35 HE1 TRP 5 HE1 TRP 5 -7.898 1.890 -2.836
36 HE3 TRP 5 HE3 TRP 5 -4.380 -1.779 -4.451
37 HZ2 TRP 5 HZ2 TRP 5 -6.482 2.684 -5.139
38 HZ3 TRP 5 HZ3 TRP 5 -3.705 -0.330 -6.321
39 HH2 TRP 5 HH2 TRP 5 -4.736 1.857 -6.656
40 H SER 6 HN SER 6 -2.220 -2.016 -1.437
41 HA SER 6 HA SER 6 -1.698 -4.139 -3.278
42 1HB SER 6 HB2 SER 6 -2.412 -1.642 -4.410
43 2HB SER 6 HB1 SER 6 -0.688 -1.872 -4.699
44 HG SER 6 HG SER 6 -2.833 -3.559 -5.445
45 H ASP 7 HN ASP 7 -0.714 -2.762 -0.727
46 HA ASP 7 HA ASP 7 1.913 -3.615 -0.860
47 1HB ASP 7 HB2 ASP 7 1.865 -1.359 -2.298
48 2HB ASP 7 HB1 ASP 7 2.103 -0.660 -0.699
49 H GLY 8 HN GLY 8 1.009 -4.448 1.101
50 1HA GLY 8 HA2 GLY 8 0.189 -2.768 3.237
51 2HA GLY 8 HA1 GLY 8 0.618 -4.467 3.365
52 HA PRO 9 HA PRO 9 4.501 -3.653 5.270
53 1HB PRO 9 HB2 PRO 9 6.438 -4.560 3.531
54 2HB PRO 9 HB1 PRO 9 5.497 -5.595 4.610
55 1HG PRO 9 HG2 PRO 9 5.093 -5.020 1.704
56 2HG PRO 9 HG1 PRO 9 4.937 -6.556 2.576
57 1HD PRO 9 HD2 PRO 9 2.785 -5.120 1.870
58 2HD PRO 9 HD1 PRO 9 2.837 -6.020 3.400
59 H CYS 10 HN CYS 10 5.397 -1.726 5.566
60 HA CYS 10 HA CYS 10 6.462 -0.279 3.239
61 1HB CYS 10 HB2 CYS 10 4.233 0.493 4.840
62 2HB CYS 10 HB1 CYS 10 5.549 1.614 5.171
Start of MODEL 46
1 1H ALA 1 HT1 ALA 1 4.761 5.218 1.542
2 2H ALA 1 HT2 ALA 1 4.552 6.859 2.000
3 3H ALA 1 HT3 ALA 1 4.238 6.370 0.385
4 HA ALA 1 HA ALA 1 2.719 5.814 2.823
5 1HB ALA 1 HB1 ALA 1 2.231 7.191 0.215
6 2HB ALA 1 HB2 ALA 1 1.924 7.758 1.857
7 3HB ALA 1 HB3 ALA 1 0.881 6.531 1.139
8 H CYS 2 HN CYS 2 3.770 3.545 2.324
9 HA CYS 2 HA CYS 2 3.269 1.844 0.355
10 1HB CYS 2 HB2 CYS 2 2.444 0.407 2.667
11 2HB CYS 2 HB1 CYS 2 4.003 0.408 1.867
12 H LEU 3 HN LEU 3 1.613 0.873 -0.666
13 HA LEU 3 HA LEU 3 -0.970 1.840 -0.571
14 1HB LEU 3 HB2 LEU 3 0.179 -0.746 -1.557
15 2HB LEU 3 HB1 LEU 3 -1.541 -0.442 -1.653
16 HG LEU 3 HG LEU 3 0.154 0.099 -3.652
17 1HD1 LEU 3 HD11 LEU 3 -1.643 0.998 -4.665
18 2HD1 LEU 3 HD12 LEU 3 -1.965 2.124 -3.346
19 3HD1 LEU 3 HD13 LEU 3 -2.464 0.438 -3.209
20 1HD2 LEU 3 HD21 LEU 3 0.011 2.664 -2.069
21 2HD2 LEU 3 HD22 LEU 3 0.568 2.525 -3.737
22 3HD2 LEU 3 HD23 LEU 3 1.465 1.736 -2.440
23 HA PRO 4 HA PRO 4 -2.191 0.214 3.482
24 1HB PRO 4 HB2 PRO 4 -4.789 1.209 2.401
25 2HB PRO 4 HB1 PRO 4 -4.061 1.464 3.991
26 1HG PRO 4 HG2 PRO 4 -4.030 3.403 2.179
27 2HG PRO 4 HG1 PRO 4 -2.618 3.111 3.211
28 1HD PRO 4 HD2 PRO 4 -3.046 2.415 0.340
29 2HD PRO 4 HD1 PRO 4 -1.565 2.939 1.167
30 H TRP 5 HN TRP 5 -3.528 -0.511 0.338
31 HA TRP 5 HA TRP 5 -4.325 -3.150 1.329
32 1HB TRP 5 HB2 TRP 5 -6.370 -2.881 -0.275
33 2HB TRP 5 HB1 TRP 5 -6.441 -2.192 1.344
34 HD1 TRP 5 HD1 TRP 5 -5.540 -1.001 -2.240
35 HE1 TRP 5 HE1 TRP 5 -6.310 1.442 -2.480
36 HE3 TRP 5 HE3 TRP 5 -7.262 -0.224 2.509
37 HZ2 TRP 5 HZ2 TRP 5 -7.487 3.435 -0.870
38 HZ3 TRP 5 HZ3 TRP 5 -8.194 1.980 3.079
39 HH2 TRP 5 HH2 TRP 5 -8.303 3.772 1.423
40 H SER 6 HN SER 6 -2.086 -2.112 -0.326
41 HA SER 6 HA SER 6 -2.267 -4.080 -2.411
42 1HB SER 6 HB2 SER 6 -1.593 -1.353 -3.423
43 2HB SER 6 HB1 SER 6 -2.291 -2.727 -4.278
44 HG SER 6 HG SER 6 -3.774 -0.971 -3.866
45 H ASP 7 HN ASP 7 -0.107 -2.510 -3.861
46 HA ASP 7 HA ASP 7 2.112 -3.775 -2.763
47 1HB ASP 7 HB2 ASP 7 1.964 -3.002 -5.109
48 2HB ASP 7 HB1 ASP 7 2.089 -1.337 -4.550
49 H GLY 8 HN GLY 8 2.054 -3.264 -0.522
50 1HA GLY 8 HA2 GLY 8 3.913 -1.513 0.406
51 2HA GLY 8 HA1 GLY 8 2.453 -0.543 0.344
52 HA PRO 9 HA PRO 9 2.116 -3.837 3.858
53 1HB PRO 9 HB2 PRO 9 4.399 -4.232 5.209
54 2HB PRO 9 HB1 PRO 9 4.014 -5.158 3.752
55 1HG PRO 9 HG2 PRO 9 5.818 -2.791 4.072
56 2HG PRO 9 HG1 PRO 9 6.073 -4.273 3.133
57 1HD PRO 9 HD2 PRO 9 5.229 -1.899 2.048
58 2HD PRO 9 HD1 PRO 9 4.875 -3.489 1.346
59 H CYS 10 HN CYS 10 1.526 -1.213 3.909
60 HA CYS 10 HA CYS 10 2.824 0.126 6.110
61 1HB CYS 10 HB2 CYS 10 1.021 0.848 3.970
62 2HB CYS 10 HB1 CYS 10 0.426 1.465 5.507
Start of MODEL 47
1 1H ALA 1 HT1 ALA 1 2.380 -0.133 4.207
2 2H ALA 1 HT2 ALA 1 1.397 -1.204 5.120
3 3H ALA 1 HT3 ALA 1 1.816 0.332 5.758
4 HA ALA 1 HA ALA 1 -0.056 -0.364 3.632
5 1HB ALA 1 HB1 ALA 1 -1.086 -0.166 5.729
6 2HB ALA 1 HB2 ALA 1 -1.385 1.379 4.932
7 3HB ALA 1 HB3 ALA 1 -0.128 1.250 6.162
8 H CYS 2 HN CYS 2 1.968 0.533 2.286
9 HA CYS 2 HA CYS 2 1.776 3.433 2.082
10 1HB CYS 2 HB2 CYS 2 3.893 1.582 1.928
11 2HB CYS 2 HB1 CYS 2 3.713 2.273 0.329
12 H LEU 3 HN LEU 3 -0.009 1.150 0.959
13 HA LEU 3 HA LEU 3 -0.613 2.535 -1.498
14 1HB LEU 3 HB2 LEU 3 -0.569 -0.231 -2.231
15 2HB LEU 3 HB1 LEU 3 0.243 1.125 -2.985
16 HG LEU 3 HG LEU 3 1.485 -0.088 -0.557
17 1HD1 LEU 3 HD11 LEU 3 0.707 -1.805 -2.452
18 2HD1 LEU 3 HD12 LEU 3 2.211 -1.984 -1.550
19 3HD1 LEU 3 HD13 LEU 3 2.229 -1.266 -3.161
20 1HD2 LEU 3 HD21 LEU 3 3.184 0.493 -2.815
21 2HD2 LEU 3 HD22 LEU 3 3.219 1.156 -1.182
22 3HD2 LEU 3 HD23 LEU 3 2.179 1.883 -2.406
23 HA PRO 4 HA PRO 4 -4.671 1.549 0.066
24 1HB PRO 4 HB2 PRO 4 -5.458 2.027 -2.761
25 2HB PRO 4 HB1 PRO 4 -6.091 2.749 -1.277
26 1HG PRO 4 HG2 PRO 4 -4.491 4.138 -2.891
27 2HG PRO 4 HG1 PRO 4 -4.360 4.285 -1.128
28 1HD PRO 4 HD2 PRO 4 -2.614 2.797 -3.044
29 2HD PRO 4 HD1 PRO 4 -2.172 3.713 -1.588
30 H TRP 5 HN TRP 5 -4.335 0.513 -3.333
31 HA TRP 5 HA TRP 5 -5.951 -1.728 -3.167
32 1HB TRP 5 HB2 TRP 5 -4.464 -2.562 -5.134
33 2HB TRP 5 HB1 TRP 5 -5.427 -1.104 -5.342
34 HD1 TRP 5 HD1 TRP 5 -1.839 -1.721 -3.957
35 HE1 TRP 5 HE1 TRP 5 -0.263 -0.027 -5.086
36 HE3 TRP 5 HE3 TRP 5 -5.227 0.676 -6.941
37 HZ2 TRP 5 HZ2 TRP 5 -0.436 2.053 -6.987
38 HZ3 TRP 5 HZ3 TRP 5 -4.441 2.509 -8.384
39 HH2 TRP 5 HH2 TRP 5 -2.095 3.182 -8.404
40 H SER 6 HN SER 6 -2.728 -1.292 -2.009
41 HA SER 6 HA SER 6 -2.779 -3.911 -0.799
42 1HB SER 6 HB2 SER 6 -0.666 -3.188 -2.842
43 2HB SER 6 HB1 SER 6 -0.520 -4.530 -1.708
44 HG SER 6 HG SER 6 -1.600 -4.661 -4.030
45 H ASP 7 HN ASP 7 -2.322 -3.408 1.233
46 HA ASP 7 HA ASP 7 -1.307 -1.145 2.286
47 1HB ASP 7 HB2 ASP 7 -0.283 -2.801 4.111
48 2HB ASP 7 HB1 ASP 7 -2.015 -2.526 3.960
49 H GLY 8 HN GLY 8 0.903 -3.916 2.449
50 1HA GLY 8 HA2 GLY 8 3.158 -4.078 2.075
51 2HA GLY 8 HA1 GLY 8 2.951 -2.832 0.855
52 HA PRO 9 HA PRO 9 4.752 -1.113 4.998
53 1HB PRO 9 HB2 PRO 9 7.248 -2.104 5.248
54 2HB PRO 9 HB1 PRO 9 5.840 -2.913 5.947
55 1HG PRO 9 HG2 PRO 9 7.308 -3.517 3.409
56 2HG PRO 9 HG1 PRO 9 6.691 -4.637 4.638
57 1HD PRO 9 HD2 PRO 9 5.394 -4.125 2.296
58 2HD PRO 9 HD1 PRO 9 4.557 -4.587 3.791
59 H CYS 10 HN CYS 10 5.566 0.867 4.704
60 HA CYS 10 HA CYS 10 6.534 1.768 2.239
61 1HB CYS 10 HB2 CYS 10 6.850 3.024 4.973
62 2HB CYS 10 HB1 CYS 10 7.118 3.849 3.441
Start of MODEL 48
1 1H ALA 1 HT1 ALA 1 1.919 5.996 5.242
2 2H ALA 1 HT2 ALA 1 3.380 5.182 4.854
3 3H ALA 1 HT3 ALA 1 1.959 4.283 5.198
4 HA ALA 1 HA ALA 1 0.935 5.469 3.270
5 1HB ALA 1 HB1 ALA 1 2.649 7.200 3.073
6 2HB ALA 1 HB2 ALA 1 2.500 6.271 1.582
7 3HB ALA 1 HB3 ALA 1 3.849 5.970 2.677
8 H CYS 2 HN CYS 2 0.463 3.158 3.531
9 HA CYS 2 HA CYS 2 2.313 1.288 2.335
10 1HB CYS 2 HB2 CYS 2 0.215 1.178 4.225
11 2HB CYS 2 HB1 CYS 2 -0.275 0.184 2.868
12 H LEU 3 HN LEU 3 0.715 -0.478 1.041
13 HA LEU 3 HA LEU 3 0.437 0.663 -1.507
14 1HB LEU 3 HB2 LEU 3 -0.076 -1.943 -0.258
15 2HB LEU 3 HB1 LEU 3 -1.095 -1.600 -1.643
16 HG LEU 3 HG LEU 3 1.923 -1.628 -1.615
17 1HD1 LEU 3 HD11 LEU 3 0.997 -3.851 -1.536
18 2HD1 LEU 3 HD12 LEU 3 1.628 -3.537 -3.152
19 3HD1 LEU 3 HD13 LEU 3 -0.109 -3.474 -2.856
20 1HD2 LEU 3 HD21 LEU 3 -0.065 -0.859 -3.727
21 2HD2 LEU 3 HD22 LEU 3 1.550 -1.438 -4.136
22 3HD2 LEU 3 HD23 LEU 3 1.356 0.025 -3.171
23 HA PRO 4 HA PRO 4 -3.478 2.742 -1.255
24 1HB PRO 4 HB2 PRO 4 -3.724 1.976 -4.116
25 2HB PRO 4 HB1 PRO 4 -3.830 3.571 -3.364
26 1HG PRO 4 HG2 PRO 4 -1.672 2.863 -4.753
27 2HG PRO 4 HG1 PRO 4 -1.528 3.826 -3.270
28 1HD PRO 4 HD2 PRO 4 -1.002 0.914 -3.701
29 2HD PRO 4 HD1 PRO 4 -0.123 2.084 -2.694
30 H TRP 5 HN TRP 5 -3.308 -0.323 -3.046
31 HA TRP 5 HA TRP 5 -6.057 -0.908 -2.175
32 1HB TRP 5 HB2 TRP 5 -5.263 -2.827 -4.089
33 2HB TRP 5 HB1 TRP 5 -6.431 -1.528 -4.287
34 HD1 TRP 5 HD1 TRP 5 -5.803 0.397 -5.915
35 HE1 TRP 5 HE1 TRP 5 -3.750 0.924 -7.376
36 HE3 TRP 5 HE3 TRP 5 -2.569 -3.099 -4.060
37 HZ2 TRP 5 HZ2 TRP 5 -1.108 -0.018 -7.698
38 HZ3 TRP 5 HZ3 TRP 5 -0.298 -3.221 -4.998
39 HH2 TRP 5 HH2 TRP 5 0.416 -1.712 -6.780
40 H SER 6 HN SER 6 -3.026 -1.498 -1.165
41 HA SER 6 HA SER 6 -3.825 -3.907 0.212
42 1HB SER 6 HB2 SER 6 -1.194 -4.015 -1.235
43 2HB SER 6 HB1 SER 6 -2.170 -5.341 -0.603
44 HG SER 6 HG SER 6 -2.884 -5.486 -2.568
45 H ASP 7 HN ASP 7 -0.890 -4.368 0.785
46 HA ASP 7 HA ASP 7 -0.375 -2.021 2.471
47 1HB ASP 7 HB2 ASP 7 0.596 -3.931 4.082
48 2HB ASP 7 HB1 ASP 7 -1.066 -3.361 4.185
49 H GLY 8 HN GLY 8 1.341 -5.117 2.203
50 1HA GLY 8 HA2 GLY 8 3.546 -5.560 1.735
51 2HA GLY 8 HA1 GLY 8 3.291 -4.484 0.372
52 HA PRO 9 HA PRO 9 6.482 -2.077 2.363
53 1HB PRO 9 HB2 PRO 9 6.549 -0.015 0.623
54 2HB PRO 9 HB1 PRO 9 7.213 -1.605 0.228
55 1HG PRO 9 HG2 PRO 9 4.576 -0.412 -0.537
56 2HG PRO 9 HG1 PRO 9 5.715 -1.339 -1.531
57 1HD PRO 9 HD2 PRO 9 3.489 -2.433 -0.414
58 2HD PRO 9 HD1 PRO 9 4.972 -3.358 -0.721
59 H CYS 10 HN CYS 10 5.773 -1.243 4.260
60 HA CYS 10 HA CYS 10 3.854 0.983 4.168
61 1HB CYS 10 HB2 CYS 10 4.181 -1.281 5.937
62 2HB CYS 10 HB1 CYS 10 4.238 0.226 6.845
Start of MODEL 49
1 1H ALA 1 HT1 ALA 1 -1.719 1.565 5.590
2 2H ALA 1 HT2 ALA 1 -0.488 2.664 5.120
3 3H ALA 1 HT3 ALA 1 -0.150 0.984 5.220
4 HA ALA 1 HA ALA 1 -1.376 0.485 3.379
5 1HB ALA 1 HB1 ALA 1 -2.567 3.233 3.685
6 2HB ALA 1 HB2 ALA 1 -3.382 1.679 3.858
7 3HB ALA 1 HB3 ALA 1 -2.817 2.207 2.273
8 H CYS 2 HN CYS 2 0.925 0.476 2.859
9 HA CYS 2 HA CYS 2 1.975 2.855 1.615
10 1HB CYS 2 HB2 CYS 2 3.050 0.640 2.982
11 2HB CYS 2 HB1 CYS 2 3.671 0.565 1.345
12 H LEU 3 HN LEU 3 -0.047 0.607 0.621
13 HA LEU 3 HA LEU 3 0.945 0.653 -2.147
14 1HB LEU 3 HB2 LEU 3 -0.212 -1.571 -0.540
15 2HB LEU 3 HB1 LEU 3 -0.609 -1.504 -2.241
16 HG LEU 3 HG LEU 3 1.638 -2.674 -1.041
17 1HD1 LEU 3 HD11 LEU 3 1.728 -2.200 -3.941
18 2HD1 LEU 3 HD12 LEU 3 0.244 -2.928 -3.327
19 3HD1 LEU 3 HD13 LEU 3 1.797 -3.707 -3.027
20 1HD2 LEU 3 HD21 LEU 3 2.451 -0.289 -2.698
21 2HD2 LEU 3 HD22 LEU 3 3.517 -1.591 -2.174
22 3HD2 LEU 3 HD23 LEU 3 2.774 -0.531 -0.981
23 HA PRO 4 HA PRO 4 -2.868 2.300 -3.596
24 1HB PRO 4 HB2 PRO 4 -3.359 -0.053 -5.324
25 2HB PRO 4 HB1 PRO 4 -3.143 1.643 -5.769
26 1HG PRO 4 HG2 PRO 4 -1.233 -0.153 -6.257
27 2HG PRO 4 HG1 PRO 4 -0.827 1.493 -5.733
28 1HD PRO 4 HD2 PRO 4 -0.894 -1.044 -4.137
29 2HD PRO 4 HD1 PRO 4 0.302 0.270 -4.111
30 H TRP 5 HN TRP 5 -2.961 -1.089 -2.680
31 HA TRP 5 HA TRP 5 -5.809 -0.801 -1.999
32 1HB TRP 5 HB2 TRP 5 -5.479 -3.450 -1.826
33 2HB TRP 5 HB1 TRP 5 -5.872 -2.644 -3.340
34 HD1 TRP 5 HD1 TRP 5 -2.582 -3.598 -1.488
35 HE1 TRP 5 HE1 TRP 5 -0.932 -4.506 -3.241
36 HE3 TRP 5 HE3 TRP 5 -5.461 -3.048 -5.676
37 HZ2 TRP 5 HZ2 TRP 5 -0.858 -4.930 -6.031
38 HZ3 TRP 5 HZ3 TRP 5 -4.527 -3.728 -7.848
39 HH2 TRP 5 HH2 TRP 5 -2.271 -4.648 -8.020
40 H SER 6 HN SER 6 -3.713 0.213 -0.336
41 HA SER 6 HA SER 6 -3.090 0.277 1.850
42 1HB SER 6 HB2 SER 6 -5.684 -0.109 1.967
43 2HB SER 6 HB1 SER 6 -5.224 -1.706 2.557
44 HG SER 6 HG SER 6 -4.178 -0.759 4.271
45 H ASP 7 HN ASP 7 -1.177 -0.956 1.049
46 HA ASP 7 HA ASP 7 -0.669 -3.159 2.779
47 1HB ASP 7 HB2 ASP 7 -1.847 -3.926 0.467
48 2HB ASP 7 HB1 ASP 7 -0.161 -3.920 -0.041
49 H GLY 8 HN GLY 8 1.500 -4.119 1.035
50 1HA GLY 8 HA2 GLY 8 3.702 -3.678 0.583
51 2HA GLY 8 HA1 GLY 8 3.212 -2.022 0.269
52 HA PRO 9 HA PRO 9 5.140 -2.439 4.631
53 1HB PRO 9 HB2 PRO 9 7.604 -3.454 4.492
54 2HB PRO 9 HB1 PRO 9 6.189 -4.510 4.571
55 1HG PRO 9 HG2 PRO 9 7.854 -3.747 2.210
56 2HG PRO 9 HG1 PRO 9 7.154 -5.320 2.625
57 1HD PRO 9 HD2 PRO 9 6.065 -3.522 0.818
58 2HD PRO 9 HD1 PRO 9 5.164 -4.814 1.633
59 H CYS 10 HN CYS 10 5.408 -0.270 4.806
60 HA CYS 10 HA CYS 10 6.872 1.380 3.105
61 1HB CYS 10 HB2 CYS 10 6.242 1.795 6.035
62 2HB CYS 10 HB1 CYS 10 6.778 3.051 4.926
Start of MODEL 50
1 1H ALA 1 HT1 ALA 1 1.449 6.966 4.722
2 2H ALA 1 HT2 ALA 1 2.496 6.990 3.362
3 3H ALA 1 HT3 ALA 1 2.460 5.620 4.397
4 HA ALA 1 HA ALA 1 0.011 5.528 3.791
5 1HB ALA 1 HB1 ALA 1 -0.512 7.341 2.540
6 2HB ALA 1 HB2 ALA 1 0.024 6.290 1.230
7 3HB ALA 1 HB3 ALA 1 1.120 7.503 1.892
8 H CYS 2 HN CYS 2 -0.054 3.428 3.361
9 HA CYS 2 HA CYS 2 2.122 2.153 1.949
10 1HB CYS 2 HB2 CYS 2 0.314 1.448 4.003
11 2HB CYS 2 HB1 CYS 2 -0.010 0.375 2.656
12 H LEU 3 HN LEU 3 0.746 -0.021 0.838
13 HA LEU 3 HA LEU 3 0.176 0.873 -1.721
14 1HB LEU 3 HB2 LEU 3 0.216 -1.605 -0.345
15 2HB LEU 3 HB1 LEU 3 -1.297 -1.528 -1.227
16 HG LEU 3 HG LEU 3 1.049 -0.731 -2.805
17 1HD1 LEU 3 HD11 LEU 3 0.972 -3.315 -1.376
18 2HD1 LEU 3 HD12 LEU 3 2.345 -2.391 -1.985
19 3HD1 LEU 3 HD13 LEU 3 1.381 -3.370 -3.091
20 1HD2 LEU 3 HD21 LEU 3 -0.707 -2.946 -3.622
21 2HD2 LEU 3 HD22 LEU 3 -0.193 -1.513 -4.512
22 3HD2 LEU 3 HD23 LEU 3 -1.509 -1.401 -3.344
23 HA PRO 4 HA PRO 4 -3.798 2.850 -1.401
24 1HB PRO 4 HB2 PRO 4 -4.089 1.787 -4.173
25 2HB PRO 4 HB1 PRO 4 -4.337 3.428 -3.566
26 1HG PRO 4 HG2 PRO 4 -2.153 2.835 -4.948
27 2HG PRO 4 HG1 PRO 4 -2.058 3.898 -3.530
28 1HD PRO 4 HD2 PRO 4 -1.283 1.025 -3.804
29 2HD PRO 4 HD1 PRO 4 -0.497 2.323 -2.883
30 H TRP 5 HN TRP 5 -3.781 -0.188 -3.261
31 HA TRP 5 HA TRP 5 -6.239 -0.974 -1.843
32 1HB TRP 5 HB2 TRP 5 -6.236 -2.596 -4.014
33 2HB TRP 5 HB1 TRP 5 -7.040 -1.031 -3.963
34 HD1 TRP 5 HD1 TRP 5 -6.322 0.679 -5.755
35 HE1 TRP 5 HE1 TRP 5 -4.434 0.813 -7.498
36 HE3 TRP 5 HE3 TRP 5 -3.586 -3.377 -4.296
37 HZ2 TRP 5 HZ2 TRP 5 -2.090 -0.613 -8.165
38 HZ3 TRP 5 HZ3 TRP 5 -1.532 -3.927 -5.536
39 HH2 TRP 5 HH2 TRP 5 -0.800 -2.572 -7.430
40 H SER 6 HN SER 6 -3.399 -1.409 -1.047
41 HA SER 6 HA SER 6 -3.661 -4.210 -0.428
42 1HB SER 6 HB2 SER 6 -2.346 -3.791 -2.709
43 2HB SER 6 HB1 SER 6 -1.013 -3.476 -1.598
44 HG SER 6 HG SER 6 -1.194 -5.696 -2.251
45 H ASP 7 HN ASP 7 -0.711 -4.220 0.210
46 HA ASP 7 HA ASP 7 -0.600 -2.244 2.356
47 1HB ASP 7 HB2 ASP 7 0.372 -4.318 3.744
48 2HB ASP 7 HB1 ASP 7 -1.332 -3.880 3.768
49 H GLY 8 HN GLY 8 1.342 -5.149 1.687
50 1HA GLY 8 HA2 GLY 8 3.551 -5.390 1.113
51 2HA GLY 8 HA1 GLY 8 3.429 -3.818 0.335
52 HA PRO 9 HA PRO 9 6.297 -3.540 4.035
53 1HB PRO 9 HB2 PRO 9 8.362 -2.382 2.700
54 2HB PRO 9 HB1 PRO 9 8.163 -4.132 2.836
55 1HG PRO 9 HG2 PRO 9 7.445 -2.315 0.568
56 2HG PRO 9 HG1 PRO 9 8.221 -3.909 0.522
57 1HD PRO 9 HD2 PRO 9 5.591 -3.563 -0.002
58 2HD PRO 9 HD1 PRO 9 6.220 -5.030 0.776
59 H CYS 10 HN CYS 10 6.538 -1.729 5.269
60 HA CYS 10 HA CYS 10 6.273 0.906 4.071
61 1HB CYS 10 HB2 CYS 10 4.121 -0.422 5.536
62 2HB CYS 10 HB1 CYS 10 4.547 1.143 6.220