Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
634528 | 6fgm RC | 27357 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855
2 HA ALA 1 HA ALA 1 2.873 -0.744 -1.153
3 HB1 ALA 1 HB1 ALA 1 1.811 -0.588 -3.279
4 HB2 ALA 1 HB2 ALA 1 0.639 -1.277 -2.155
5 HB3 ALA 1 HB3 ALA 1 0.518 0.418 -2.627
6 H CYS 2 H CYS 2 4.330 0.843 -0.406
7 HA CYS 2 HA CYS 2 3.943 3.555 -1.462
8 HB2 CYS 2 HB2 CYS 2 5.882 2.528 0.621
9 HB3 CYS 2 HB3 CYS 2 5.755 4.203 0.094
10 H PHE 3 H PHE 3 6.130 4.637 -2.046
11 HA PHE 3 HA PHE 3 8.011 2.839 -3.335
12 HB2 PHE 3 HB2 PHE 3 7.560 4.670 -5.366
13 HB3 PHE 3 HB3 PHE 3 7.025 2.993 -5.346
14 HD1 PHE 3 HD1 PHE 3 6.026 6.469 -5.075
15 HD2 PHE 3 HD2 PHE 3 4.721 2.434 -4.713
16 HE1 PHE 3 HE1 PHE 3 3.685 7.222 -5.158
17 HE2 PHE 3 HE2 PHE 3 2.378 3.180 -4.797
18 HZ PHE 3 HZ PHE 3 1.857 5.577 -5.020
19 H LEU 4 H LEU 4 10.028 3.711 -3.578
20 HA LEU 4 HA LEU 4 10.632 6.041 -2.059
21 HB2 LEU 4 HB2 LEU 4 12.335 4.507 -1.980
22 HB3 LEU 4 HB3 LEU 4 12.177 4.085 -3.684
23 HG LEU 4 HG LEU 4 13.242 6.258 -4.260
24 HD11 LEU 4 HD11 LEU 4 14.613 7.020 -2.050
25 HD12 LEU 4 HD12 LEU 4 13.055 6.584 -1.351
26 HD13 LEU 4 HD13 LEU 4 13.139 7.795 -2.630
27 HD21 LEU 4 HD21 LEU 4 14.832 4.659 -4.428
28 HD22 LEU 4 HD22 LEU 4 14.553 4.051 -2.796
29 HD23 LEU 4 HD23 LEU 4 15.508 5.514 -3.042
30 H THR 5 H THR 5 10.866 8.097 -2.679
31 HA THR 5 HA THR 5 10.882 8.679 -5.569
32 HB THR 5 HB THR 5 9.797 10.919 -4.762
33 HG1 THR 5 HG1 THR 5 9.204 9.111 -2.645
34 HG21 THR 5 HG21 THR 5 7.988 8.528 -4.664
35 HG22 THR 5 HG22 THR 5 8.812 8.979 -6.157
36 HG23 THR 5 HG23 THR 5 7.700 10.110 -5.386
37 H ARG 6 H ARG 6 12.105 10.454 -6.273
38 HA ARG 6 HA ARG 6 14.488 10.926 -4.783
39 HB2 ARG 6 HB2 ARG 6 13.437 12.198 -7.316
40 HB3 ARG 6 HB3 ARG 6 15.042 12.484 -6.655
41 HG2 ARG 6 HG2 ARG 6 15.468 10.874 -8.231
42 HG3 ARG 6 HG3 ARG 6 15.256 9.894 -6.779
43 HD2 ARG 6 HD2 ARG 6 12.783 10.441 -8.258
44 HD3 ARG 6 HD3 ARG 6 13.969 9.483 -9.144
45 HE ARG 6 HE ARG 6 12.452 8.671 -6.833
46 HH11 ARG 6 HH11 ARG 6 15.288 8.098 -8.769
47 HH12 ARG 6 HH12 ARG 6 15.459 6.450 -8.265
48 HH21 ARG 6 HH21 ARG 6 12.666 6.502 -6.162
49 HH22 ARG 6 HH22 ARG 6 13.966 5.542 -6.783
50 H LEU 7 H LEU 7 11.446 12.251 -4.554
51 HA LEU 7 HA LEU 7 12.120 14.982 -4.062
52 HB2 LEU 7 HB2 LEU 7 9.836 13.858 -4.675
53 HB3 LEU 7 HB3 LEU 7 9.679 13.692 -2.928
54 HG LEU 7 HG LEU 7 10.245 16.294 -3.032
55 HD11 LEU 7 HD11 LEU 7 9.209 17.355 -4.931
56 HD12 LEU 7 HD12 LEU 7 8.786 15.789 -5.620
57 HD13 LEU 7 HD13 LEU 7 10.479 16.267 -5.490
58 HD21 LEU 7 HD21 LEU 7 7.568 14.984 -3.473
59 HD22 LEU 7 HD22 LEU 7 7.775 16.684 -3.051
60 HD23 LEU 7 HD23 LEU 7 8.310 15.427 -1.935
61 H GLY 8 H GLY 8 12.079 12.081 -2.163
62 HA2 GLY 8 HA2 GLY 8 13.531 13.236 -0.044
63 HA3 GLY 8 HA3 GLY 8 11.836 13.156 0.413
64 H THR 9 H THR 9 10.808 10.941 -0.002
65 HA THR 9 HA THR 9 12.552 8.663 0.098
66 HB THR 9 HB THR 9 12.654 9.580 2.450
67 HG1 THR 9 HG1 THR 9 13.140 7.436 2.232
68 HG21 THR 9 HG21 THR 9 10.820 9.694 3.813
69 HG22 THR 9 HG22 THR 9 9.955 8.430 2.939
70 HG23 THR 9 HG23 THR 9 10.050 10.058 2.269
71 H TYR 10 H TYR 10 10.857 6.837 1.304
72 HA TYR 10 HA TYR 10 9.138 6.116 -0.727
73 HB2 TYR 10 HB2 TYR 10 9.644 5.258 2.007
74 HB3 TYR 10 HB3 TYR 10 7.956 5.049 1.554
75 HD1 TYR 10 HD1 TYR 10 10.979 4.743 -0.593
76 HD2 TYR 10 HD2 TYR 10 7.739 2.735 1.298
77 HE1 TYR 10 HE1 TYR 10 11.563 2.680 -1.797
78 HE2 TYR 10 HE2 TYR 10 8.316 0.666 0.100
79 HH TYR 10 HH TYR 10 9.768 -0.334 -1.256
80 H VAL 11 H VAL 11 7.193 6.756 -1.391
81 HA VAL 11 HA VAL 11 5.430 8.179 0.470
82 HB VAL 11 HB VAL 11 6.532 9.966 -0.701
83 HG11 VAL 11 HG11 VAL 11 7.285 8.558 -2.623
84 HG12 VAL 11 HG12 VAL 11 5.660 8.709 -3.297
85 HG13 VAL 11 HG13 VAL 11 6.663 10.144 -3.079
86 HG21 VAL 11 HG21 VAL 11 3.969 9.910 -0.387
87 HG22 VAL 11 HG22 VAL 11 4.667 11.143 -1.438
88 HG23 VAL 11 HG23 VAL 11 3.916 9.709 -2.139
89 H CYS 12 H CYS 12 3.304 7.725 0.228
90 HA CYS 12 HA CYS 12 2.473 6.219 -2.157
91 HB2 CYS 12 HB2 CYS 12 0.917 5.203 -0.084
92 HB3 CYS 12 HB3 CYS 12 2.246 4.381 -0.895
Start of MODEL 2
1 H1 ALA 1 H ALA 1 0.209 0.843 -1.003
2 HA ALA 1 HA ALA 1 2.313 -0.253 -0.092
3 HB1 ALA 1 HB1 ALA 1 3.540 -0.609 -2.629
4 HB2 ALA 1 HB2 ALA 1 3.235 -1.810 -1.373
5 HB3 ALA 1 HB3 ALA 1 2.022 -1.507 -2.617
6 H CYS 2 H CYS 2 4.362 0.872 -0.221
7 HA CYS 2 HA CYS 2 4.024 3.573 -1.309
8 HB2 CYS 2 HB2 CYS 2 5.966 2.515 0.756
9 HB3 CYS 2 HB3 CYS 2 5.860 4.193 0.232
10 H PHE 3 H PHE 3 6.199 4.632 -1.933
11 HA PHE 3 HA PHE 3 8.069 2.821 -3.217
12 HB2 PHE 3 HB2 PHE 3 7.577 4.628 -5.269
13 HB3 PHE 3 HB3 PHE 3 7.079 2.940 -5.226
14 HD1 PHE 3 HD1 PHE 3 4.794 2.334 -4.605
15 HD2 PHE 3 HD2 PHE 3 6.006 6.400 -4.949
16 HE1 PHE 3 HE1 PHE 3 2.434 3.028 -4.676
17 HE2 PHE 3 HE2 PHE 3 3.648 7.100 -5.020
18 HZ PHE 3 HZ PHE 3 1.859 5.413 -4.882
19 H LEU 4 H LEU 4 10.081 3.691 -3.475
20 HA LEU 4 HA LEU 4 10.694 6.046 -2.006
21 HB2 LEU 4 HB2 LEU 4 12.411 4.532 -1.935
22 HB3 LEU 4 HB3 LEU 4 12.221 4.075 -3.626
23 HG LEU 4 HG LEU 4 13.260 6.242 -4.267
24 HD11 LEU 4 HD11 LEU 4 13.256 6.569 -1.323
25 HD12 LEU 4 HD12 LEU 4 13.067 7.770 -2.601
26 HD13 LEU 4 HD13 LEU 4 14.670 7.149 -2.204
27 HD21 LEU 4 HD21 LEU 4 15.568 5.566 -3.190
28 HD22 LEU 4 HD22 LEU 4 14.798 4.556 -4.414
29 HD23 LEU 4 HD23 LEU 4 14.662 4.132 -2.707
30 H THR 5 H THR 5 10.798 8.095 -2.650
31 HA THR 5 HA THR 5 10.794 8.647 -5.547
32 HB THR 5 HB THR 5 9.724 10.898 -4.706
33 HG1 THR 5 HG1 THR 5 9.803 10.450 -2.492
34 HG21 THR 5 HG21 THR 5 7.628 10.096 -5.341
35 HG22 THR 5 HG22 THR 5 7.921 8.502 -4.646
36 HG23 THR 5 HG23 THR 5 8.741 8.980 -6.132
37 H ARG 6 H ARG 6 12.025 10.375 -6.309
38 HA ARG 6 HA ARG 6 14.425 10.893 -4.875
39 HB2 ARG 6 HB2 ARG 6 13.307 12.125 -7.398
40 HB3 ARG 6 HB3 ARG 6 14.922 12.440 -6.776
41 HG2 ARG 6 HG2 ARG 6 15.339 10.813 -8.336
42 HG3 ARG 6 HG3 ARG 6 15.162 9.848 -6.869
43 HD2 ARG 6 HD2 ARG 6 12.658 10.354 -8.311
44 HD3 ARG 6 HD3 ARG 6 13.838 9.397 -9.207
45 HE ARG 6 HE ARG 6 12.367 8.596 -6.863
46 HH11 ARG 6 HH11 ARG 6 15.185 8.034 -8.828
47 HH12 ARG 6 HH12 ARG 6 15.384 6.395 -8.304
48 HH21 ARG 6 HH21 ARG 6 12.618 6.439 -6.166
49 HH22 ARG 6 HH22 ARG 6 13.922 5.488 -6.791
50 H LEU 7 H LEU 7 11.377 12.227 -4.625
51 HA LEU 7 HA LEU 7 12.049 14.959 -4.170
52 HB2 LEU 7 HB2 LEU 7 9.645 13.543 -3.060
53 HB3 LEU 7 HB3 LEU 7 9.814 15.247 -3.477
54 HG LEU 7 HG LEU 7 9.717 12.965 -5.450
55 HD11 LEU 7 HD11 LEU 7 7.535 14.290 -6.026
56 HD12 LEU 7 HD12 LEU 7 7.649 14.803 -4.343
57 HD13 LEU 7 HD13 LEU 7 7.541 13.087 -4.735
58 HD21 LEU 7 HD21 LEU 7 11.045 14.793 -6.294
59 HD22 LEU 7 HD22 LEU 7 9.802 15.956 -5.833
60 HD23 LEU 7 HD23 LEU 7 9.482 14.782 -7.110
61 H GLY 8 H GLY 8 12.017 12.085 -2.211
62 HA2 GLY 8 HA2 GLY 8 13.546 13.270 -0.157
63 HA3 GLY 8 HA3 GLY 8 11.864 13.204 0.346
64 H THR 9 H THR 9 10.815 10.997 0.037
65 HA THR 9 HA THR 9 12.563 8.714 0.127
66 HB THR 9 HB THR 9 11.051 8.486 2.538
67 HG1 THR 9 HG1 THR 9 11.896 10.213 3.710
68 HG21 THR 9 HG21 THR 9 12.929 7.174 2.482
69 HG22 THR 9 HG22 THR 9 13.550 8.536 3.416
70 HG23 THR 9 HG23 THR 9 13.904 8.413 1.693
71 H TYR 10 H TYR 10 10.968 6.843 1.264
72 HA TYR 10 HA TYR 10 9.194 6.117 -0.687
73 HB2 TYR 10 HB2 TYR 10 9.737 5.293 2.053
74 HB3 TYR 10 HB3 TYR 10 8.049 5.059 1.613
75 HD1 TYR 10 HD1 TYR 10 7.844 2.746 1.364
76 HD2 TYR 10 HD2 TYR 10 11.078 4.760 -0.529
77 HE1 TYR 10 HE1 TYR 10 8.436 0.672 0.183
78 HE2 TYR 10 HE2 TYR 10 11.679 2.692 -1.716
79 HH TYR 10 HH TYR 10 9.917 -0.333 -1.144
80 H VAL 11 H VAL 11 7.236 6.738 -1.329
81 HA VAL 11 HA VAL 11 5.496 8.177 0.542
82 HB VAL 11 HB VAL 11 6.565 9.947 -0.685
83 HG11 VAL 11 HG11 VAL 11 5.658 8.601 -3.226
84 HG12 VAL 11 HG12 VAL 11 6.605 10.084 -3.084
85 HG13 VAL 11 HG13 VAL 11 7.304 8.539 -2.595
86 HG21 VAL 11 HG21 VAL 11 3.923 9.654 -2.063
87 HG22 VAL 11 HG22 VAL 11 4.006 9.880 -0.316
88 HG23 VAL 11 HG23 VAL 11 4.678 11.102 -1.397
89 H CYS 12 H CYS 12 3.354 7.749 0.319
90 HA CYS 12 HA CYS 12 2.487 6.190 -2.015
91 HB2 CYS 12 HB2 CYS 12 0.990 5.174 0.098
92 HB3 CYS 12 HB3 CYS 12 2.313 4.361 -0.732
Start of MODEL 3
1 H1 ALA 1 H ALA 1 0.792 1.019 0.039
2 HA ALA 1 HA ALA 1 2.861 -0.669 -0.953
3 HB1 ALA 1 HB1 ALA 1 1.775 0.161 -3.397
4 HB2 ALA 1 HB2 ALA 1 1.892 -1.486 -2.776
5 HB3 ALA 1 HB3 ALA 1 0.435 -0.535 -2.486
6 H CYS 2 H CYS 2 4.317 0.869 -0.357
7 HA CYS 2 HA CYS 2 3.999 3.583 -1.419
8 HB2 CYS 2 HB2 CYS 2 5.916 2.495 0.653
9 HB3 CYS 2 HB3 CYS 2 5.823 4.178 0.145
10 H PHE 3 H PHE 3 6.178 4.640 -2.019
11 HA PHE 3 HA PHE 3 8.055 2.835 -3.301
12 HB2 PHE 3 HB2 PHE 3 7.586 4.664 -5.340
13 HB3 PHE 3 HB3 PHE 3 7.086 2.976 -5.318
14 HD1 PHE 3 HD1 PHE 3 6.015 6.434 -5.018
15 HD2 PHE 3 HD2 PHE 3 4.794 2.368 -4.720
16 HE1 PHE 3 HE1 PHE 3 3.659 7.139 -5.103
17 HE2 PHE 3 HE2 PHE 3 2.436 3.066 -4.805
18 HZ PHE 3 HZ PHE 3 1.866 5.454 -4.998
19 H LEU 4 H LEU 4 10.072 3.701 -3.531
20 HA LEU 4 HA LEU 4 10.679 6.040 -2.036
21 HB2 LEU 4 HB2 LEU 4 12.391 4.520 -1.963
22 HB3 LEU 4 HB3 LEU 4 12.215 4.080 -3.660
23 HG LEU 4 HG LEU 4 13.266 6.250 -4.272
24 HD11 LEU 4 HD11 LEU 4 14.662 7.116 -2.171
25 HD12 LEU 4 HD12 LEU 4 13.217 6.556 -1.330
26 HD13 LEU 4 HD13 LEU 4 13.081 7.769 -2.603
27 HD21 LEU 4 HD21 LEU 4 15.562 5.556 -3.182
28 HD22 LEU 4 HD22 LEU 4 14.800 4.559 -4.421
29 HD23 LEU 4 HD23 LEU 4 14.648 4.120 -2.719
30 H THR 5 H THR 5 10.794 8.095 -2.659
31 HA THR 5 HA THR 5 10.818 8.673 -5.551
32 HB THR 5 HB THR 5 9.748 10.921 -4.698
33 HG1 THR 5 HG1 THR 5 9.195 10.852 -2.665
34 HG21 THR 5 HG21 THR 5 7.654 10.130 -5.358
35 HG22 THR 5 HG22 THR 5 7.938 8.528 -4.678
36 HG23 THR 5 HG23 THR 5 8.771 9.021 -6.152
37 H ARG 6 H ARG 6 12.061 10.405 -6.286
38 HA ARG 6 HA ARG 6 14.449 10.902 -4.826
39 HB2 ARG 6 HB2 ARG 6 13.357 12.162 -7.347
40 HB3 ARG 6 HB3 ARG 6 14.967 12.465 -6.709
41 HG2 ARG 6 HG2 ARG 6 15.393 10.852 -8.281
42 HG3 ARG 6 HG3 ARG 6 15.201 9.874 -6.824
43 HD2 ARG 6 HD2 ARG 6 12.711 10.401 -8.283
44 HD3 ARG 6 HD3 ARG 6 13.896 9.448 -9.176
45 HE ARG 6 HE ARG 6 12.403 8.631 -6.853
46 HH11 ARG 6 HH11 ARG 6 15.235 8.078 -8.800
47 HH12 ARG 6 HH12 ARG 6 15.424 6.433 -8.291
48 HH21 ARG 6 HH21 ARG 6 12.641 6.466 -6.174
49 HH22 ARG 6 HH22 ARG 6 13.947 5.517 -6.797
50 H LEU 7 H LEU 7 11.404 12.243 -4.590
51 HA LEU 7 HA LEU 7 12.081 14.968 -4.102
52 HB2 LEU 7 HB2 LEU 7 9.788 13.822 -4.662
53 HB3 LEU 7 HB3 LEU 7 9.667 13.685 -2.909
54 HG LEU 7 HG LEU 7 10.316 16.333 -3.267
55 HD11 LEU 7 HD11 LEU 7 8.554 17.056 -4.944
56 HD12 LEU 7 HD12 LEU 7 8.594 15.399 -5.543
57 HD13 LEU 7 HD13 LEU 7 10.050 16.392 -5.601
58 HD21 LEU 7 HD21 LEU 7 7.787 14.824 -2.783
59 HD22 LEU 7 HD22 LEU 7 7.731 16.577 -2.969
60 HD23 LEU 7 HD23 LEU 7 8.709 15.856 -1.690
61 H GLY 8 H GLY 8 12.020 12.076 -2.172
62 HA2 GLY 8 HA2 GLY 8 13.535 13.236 -0.092
63 HA3 GLY 8 HA3 GLY 8 11.848 13.169 0.395
64 H THR 9 H THR 9 10.796 10.970 0.058
65 HA THR 9 HA THR 9 12.537 8.680 0.139
66 HB THR 9 HB THR 9 11.002 8.434 2.534
67 HG1 THR 9 HG1 THR 9 11.349 10.267 3.544
68 HG21 THR 9 HG21 THR 9 13.491 8.463 3.436
69 HG22 THR 9 HG22 THR 9 13.863 8.361 1.716
70 HG23 THR 9 HG23 THR 9 12.875 7.116 2.480
71 H TYR 10 H TYR 10 10.926 6.803 1.244
72 HA TYR 10 HA TYR 10 9.168 6.102 -0.730
73 HB2 TYR 10 HB2 TYR 10 9.681 5.250 2.007
74 HB3 TYR 10 HB3 TYR 10 7.997 5.025 1.548
75 HD1 TYR 10 HD1 TYR 10 7.790 2.715 1.277
76 HD2 TYR 10 HD2 TYR 10 11.046 4.739 -0.568
77 HE1 TYR 10 HE1 TYR 10 8.389 0.650 0.082
78 HE2 TYR 10 HE2 TYR 10 11.653 2.680 -1.769
79 HH TYR 10 HH TYR 10 9.791 -0.316 -1.336
80 H VAL 11 H VAL 11 7.217 6.734 -1.384
81 HA VAL 11 HA VAL 11 5.464 8.162 0.484
82 HB VAL 11 HB VAL 11 6.549 9.940 -0.717
83 HG11 VAL 11 HG11 VAL 11 6.634 10.096 -3.105
84 HG12 VAL 11 HG12 VAL 11 7.289 8.526 -2.635
85 HG13 VAL 11 HG13 VAL 11 5.653 8.643 -3.285
86 HG21 VAL 11 HG21 VAL 11 3.918 9.663 -2.120
87 HG22 VAL 11 HG22 VAL 11 3.989 9.880 -0.371
88 HG23 VAL 11 HG23 VAL 11 4.672 11.105 -1.440
89 H CYS 12 H CYS 12 3.323 7.741 0.240
90 HA CYS 12 HA CYS 12 2.473 6.207 -2.117
91 HB2 CYS 12 HB2 CYS 12 0.955 5.174 -0.027
92 HB3 CYS 12 HB3 CYS 12 2.283 4.366 -0.853
Start of MODEL 4
1 H1 ALA 1 H ALA 1 2.406 -0.305 -2.480
2 HA ALA 1 HA ALA 1 2.615 -0.423 0.454
3 HB1 ALA 1 HB1 ALA 1 3.243 -2.576 -0.820
4 HB2 ALA 1 HB2 ALA 1 4.689 -1.686 -1.299
5 HB3 ALA 1 HB3 ALA 1 4.351 -1.966 0.409
6 H CYS 2 H CYS 2 2.569 1.906 -1.196
7 HA CYS 2 HA CYS 2 3.670 3.874 -1.487
8 HB2 CYS 2 HB2 CYS 2 5.538 2.698 0.583
9 HB3 CYS 2 HB3 CYS 2 5.512 4.386 0.083
10 H PHE 3 H PHE 3 5.911 4.832 -2.060
11 HA PHE 3 HA PHE 3 7.699 2.950 -3.355
12 HB2 PHE 3 HB2 PHE 3 7.328 4.813 -5.382
13 HB3 PHE 3 HB3 PHE 3 6.741 3.153 -5.373
14 HD1 PHE 3 HD1 PHE 3 5.849 6.660 -5.044
15 HD2 PHE 3 HD2 PHE 3 4.419 2.659 -4.793
16 HE1 PHE 3 HE1 PHE 3 3.532 7.486 -5.129
17 HE2 PHE 3 HE2 PHE 3 2.101 3.478 -4.879
18 HZ PHE 3 HZ PHE 3 1.655 5.894 -5.048
19 H LEU 4 H LEU 4 9.756 3.721 -3.579
20 HA LEU 4 HA LEU 4 10.471 6.015 -2.061
21 HB2 LEU 4 HB2 LEU 4 12.107 4.413 -1.997
22 HB3 LEU 4 HB3 LEU 4 11.916 3.997 -3.699
23 HG LEU 4 HG LEU 4 13.073 6.119 -4.287
24 HD11 LEU 4 HD11 LEU 4 12.996 7.643 -2.626
25 HD12 LEU 4 HD12 LEU 4 14.502 6.866 -2.140
26 HD13 LEU 4 HD13 LEU 4 12.987 6.420 -1.354
27 HD21 LEU 4 HD21 LEU 4 14.337 3.903 -2.761
28 HD22 LEU 4 HD22 LEU 4 15.327 5.302 -3.180
29 HD23 LEU 4 HD23 LEU 4 14.532 4.372 -4.451
30 H THR 5 H THR 5 10.690 8.067 -2.667
31 HA THR 5 HA THR 5 10.747 8.668 -5.553
32 HB THR 5 HB THR 5 9.788 10.958 -4.683
33 HG1 THR 5 HG1 THR 5 9.072 10.916 -2.695
34 HG21 THR 5 HG21 THR 5 7.862 8.656 -4.683
35 HG22 THR 5 HG22 THR 5 8.719 9.121 -6.153
36 HG23 THR 5 HG23 THR 5 7.657 10.276 -5.348
37 H ARG 6 H ARG 6 12.078 10.338 -6.273
38 HA ARG 6 HA ARG 6 14.484 10.705 -4.804
39 HB2 ARG 6 HB2 ARG 6 13.464 12.034 -7.320
40 HB3 ARG 6 HB3 ARG 6 15.086 12.251 -6.675
41 HG2 ARG 6 HG2 ARG 6 15.434 10.629 -8.256
42 HG3 ARG 6 HG3 ARG 6 15.186 9.652 -6.807
43 HD2 ARG 6 HD2 ARG 6 12.732 10.316 -8.270
44 HD3 ARG 6 HD3 ARG 6 13.870 9.311 -9.167
45 HE ARG 6 HE ARG 6 12.327 8.553 -6.856
46 HH11 ARG 6 HH11 ARG 6 15.138 7.872 -8.794
47 HH12 ARG 6 HH12 ARG 6 15.241 6.216 -8.296
48 HH21 ARG 6 HH21 ARG 6 12.453 6.375 -6.192
49 HH22 ARG 6 HH22 ARG 6 13.713 5.365 -6.816
50 H LEU 7 H LEU 7 11.509 12.195 -4.568
51 HA LEU 7 HA LEU 7 12.319 14.881 -4.063
52 HB2 LEU 7 HB2 LEU 7 9.974 13.854 -4.634
53 HB3 LEU 7 HB3 LEU 7 9.841 13.712 -2.883
54 HG LEU 7 HG LEU 7 10.292 16.192 -2.765
55 HD11 LEU 7 HD11 LEU 7 11.223 16.198 -5.152
56 HD12 LEU 7 HD12 LEU 7 10.179 17.534 -4.668
57 HD13 LEU 7 HD13 LEU 7 9.536 16.230 -5.666
58 HD21 LEU 7 HD21 LEU 7 7.843 15.021 -4.037
59 HD22 LEU 7 HD22 LEU 7 7.950 16.743 -3.670
60 HD23 LEU 7 HD23 LEU 7 8.085 15.554 -2.373
61 H GLY 8 H GLY 8 12.111 11.984 -2.149
62 HA2 GLY 8 HA2 GLY 8 13.675 13.056 -0.059
63 HA3 GLY 8 HA3 GLY 8 11.985 13.069 0.423
64 H THR 9 H THR 9 10.828 10.925 0.067
65 HA THR 9 HA THR 9 12.455 8.552 0.139
66 HB THR 9 HB THR 9 10.903 8.367 2.529
67 HG1 THR 9 HG1 THR 9 12.816 10.460 2.672
68 HG21 THR 9 HG21 THR 9 12.711 6.958 2.468
69 HG22 THR 9 HG22 THR 9 13.387 8.267 3.438
70 HG23 THR 9 HG23 THR 9 13.760 8.160 1.718
71 H TYR 10 H TYR 10 10.751 6.749 1.228
72 HA TYR 10 HA TYR 10 8.966 6.148 -0.755
73 HB2 TYR 10 HB2 TYR 10 9.435 5.251 1.975
74 HB3 TYR 10 HB3 TYR 10 7.741 5.114 1.516
75 HD1 TYR 10 HD1 TYR 10 7.414 2.822 1.223
76 HD2 TYR 10 HD2 TYR 10 10.774 4.689 -0.601
77 HE1 TYR 10 HE1 TYR 10 7.907 0.738 0.012
78 HE2 TYR 10 HE2 TYR 10 11.275 2.612 -1.818
79 HH TYR 10 HH TYR 10 10.338 -0.232 -1.064
80 H VAL 11 H VAL 11 7.048 6.875 -1.406
81 HA VAL 11 HA VAL 11 5.361 8.370 0.469
82 HB VAL 11 HB VAL 11 6.536 10.105 -0.712
83 HG11 VAL 11 HG11 VAL 11 5.597 8.846 -3.285
84 HG12 VAL 11 HG12 VAL 11 6.605 10.284 -3.110
85 HG13 VAL 11 HG13 VAL 11 7.231 8.703 -2.638
86 HG21 VAL 11 HG21 VAL 11 4.720 11.366 -1.435
87 HG22 VAL 11 HG22 VAL 11 3.894 9.967 -2.121
88 HG23 VAL 11 HG23 VAL 11 3.977 10.172 -0.372
89 H CYS 12 H CYS 12 3.203 8.058 0.212
90 HA CYS 12 HA CYS 12 2.289 6.586 -2.160
91 HB2 CYS 12 HB2 CYS 12 0.712 5.616 -0.083
92 HB3 CYS 12 HB3 CYS 12 2.001 4.748 -0.911
Start of MODEL 5
1 H1 ALA 1 H ALA 1 1.670 0.722 0.644
2 HA ALA 1 HA ALA 1 2.803 -0.717 -1.432
3 HB1 ALA 1 HB1 ALA 1 0.046 0.247 -2.011
4 HB2 ALA 1 HB2 ALA 1 1.255 0.303 -3.295
5 HB3 ALA 1 HB3 ALA 1 0.857 -1.233 -2.524
6 H CYS 2 H CYS 2 4.270 0.889 -0.393
7 HA CYS 2 HA CYS 2 3.965 3.605 -1.452
8 HB2 CYS 2 HB2 CYS 2 5.872 2.509 0.626
9 HB3 CYS 2 HB3 CYS 2 5.786 4.193 0.119
10 H PHE 3 H PHE 3 6.153 4.655 -2.039
11 HA PHE 3 HA PHE 3 8.027 2.844 -3.318
12 HB2 PHE 3 HB2 PHE 3 7.573 4.677 -5.356
13 HB3 PHE 3 HB3 PHE 3 7.064 2.991 -5.339
14 HD1 PHE 3 HD1 PHE 3 4.768 2.392 -4.753
15 HD2 PHE 3 HD2 PHE 3 6.008 6.454 -5.036
16 HE1 PHE 3 HE1 PHE 3 2.414 3.101 -4.846
17 HE2 PHE 3 HE2 PHE 3 3.656 7.170 -5.128
18 HZ PHE 3 HZ PHE 3 1.855 5.492 -5.033
19 H LEU 4 H LEU 4 10.048 3.702 -3.541
20 HA LEU 4 HA LEU 4 10.660 6.036 -2.040
21 HB2 LEU 4 HB2 LEU 4 12.365 4.509 -1.964
22 HB3 LEU 4 HB3 LEU 4 12.193 4.071 -3.662
23 HG LEU 4 HG LEU 4 13.255 6.238 -4.267
24 HD11 LEU 4 HD11 LEU 4 14.650 7.072 -2.137
25 HD12 LEU 4 HD12 LEU 4 13.169 6.552 -1.334
26 HD13 LEU 4 HD13 LEU 4 13.099 7.765 -2.612
27 HD21 LEU 4 HD21 LEU 4 15.545 5.534 -3.179
28 HD22 LEU 4 HD22 LEU 4 14.777 4.536 -4.414
29 HD23 LEU 4 HD23 LEU 4 14.626 4.104 -2.709
30 H THR 5 H THR 5 10.787 8.091 -2.660
31 HA THR 5 HA THR 5 10.822 8.674 -5.551
32 HB THR 5 HB THR 5 9.760 10.924 -4.698
33 HG1 THR 5 HG1 THR 5 9.826 10.422 -2.483
34 HG21 THR 5 HG21 THR 5 7.664 10.144 -5.366
35 HG22 THR 5 HG22 THR 5 7.938 8.540 -4.686
36 HG23 THR 5 HG23 THR 5 8.778 9.030 -6.157
37 H ARG 6 H ARG 6 12.075 10.402 -6.279
38 HA ARG 6 HA ARG 6 14.461 10.885 -4.812
39 HB2 ARG 6 HB2 ARG 6 13.381 12.155 -7.333
40 HB3 ARG 6 HB3 ARG 6 14.991 12.451 -6.689
41 HG2 ARG 6 HG2 ARG 6 15.414 10.840 -8.264
42 HG3 ARG 6 HG3 ARG 6 15.215 9.859 -6.810
43 HD2 ARG 6 HD2 ARG 6 12.731 10.398 -8.274
44 HD3 ARG 6 HD3 ARG 6 13.914 9.443 -9.166
45 HE ARG 6 HE ARG 6 12.410 8.627 -6.848
46 HH11 ARG 6 HH11 ARG 6 15.248 8.067 -8.785
47 HH12 ARG 6 HH12 ARG 6 15.430 6.421 -8.277
48 HH21 ARG 6 HH21 ARG 6 12.639 6.461 -6.171
49 HH22 ARG 6 HH22 ARG 6 13.945 5.508 -6.791
50 H LEU 7 H LEU 7 11.421 12.239 -4.581
51 HA LEU 7 HA LEU 7 12.107 14.961 -4.087
52 HB2 LEU 7 HB2 LEU 7 9.796 13.707 -4.583
53 HB3 LEU 7 HB3 LEU 7 9.694 13.798 -2.826
54 HG LEU 7 HG LEU 7 8.509 15.645 -3.886
55 HD11 LEU 7 HD11 LEU 7 9.354 17.376 -2.537
56 HD12 LEU 7 HD12 LEU 7 10.998 16.741 -2.610
57 HD13 LEU 7 HD13 LEU 7 9.761 15.881 -1.693
58 HD21 LEU 7 HD21 LEU 7 10.712 15.651 -5.634
59 HD22 LEU 7 HD22 LEU 7 10.743 17.195 -4.783
60 HD23 LEU 7 HD23 LEU 7 9.298 16.705 -5.668
61 H GLY 8 H GLY 8 12.021 12.066 -2.156
62 HA2 GLY 8 HA2 GLY 8 13.544 13.216 -0.075
63 HA3 GLY 8 HA3 GLY 8 11.856 13.158 0.409
64 H THR 9 H THR 9 10.793 10.963 0.061
65 HA THR 9 HA THR 9 12.522 8.664 0.147
66 HB THR 9 HB THR 9 10.977 8.422 2.536
67 HG1 THR 9 HG1 THR 9 11.952 10.121 3.741
68 HG21 THR 9 HG21 THR 9 12.846 7.097 2.494
69 HG22 THR 9 HG22 THR 9 13.467 8.446 3.445
70 HG23 THR 9 HG23 THR 9 13.839 8.334 1.725
71 H TYR 10 H TYR 10 10.899 6.793 1.243
72 HA TYR 10 HA TYR 10 9.145 6.103 -0.739
73 HB2 TYR 10 HB2 TYR 10 9.645 5.245 1.999
74 HB3 TYR 10 HB3 TYR 10 7.961 5.028 1.534
75 HD1 TYR 10 HD1 TYR 10 7.744 2.720 1.258
76 HD2 TYR 10 HD2 TYR 10 11.016 4.732 -0.573
77 HE1 TYR 10 HE1 TYR 10 8.338 0.654 0.061
78 HE2 TYR 10 HE2 TYR 10 11.618 2.672 -1.775
79 HH TYR 10 HH TYR 10 9.887 -0.359 -1.206
80 H VAL 11 H VAL 11 7.198 6.743 -1.398
81 HA VAL 11 HA VAL 11 5.445 8.176 0.466
82 HB VAL 11 HB VAL 11 6.542 9.952 -0.727
83 HG11 VAL 11 HG11 VAL 11 6.582 10.115 -3.136
84 HG12 VAL 11 HG12 VAL 11 7.315 8.588 -2.640
85 HG13 VAL 11 HG13 VAL 11 5.674 8.611 -3.285
86 HG21 VAL 11 HG21 VAL 11 4.674 11.127 -1.449
87 HG22 VAL 11 HG22 VAL 11 3.917 9.695 -2.147
88 HG23 VAL 11 HG23 VAL 11 3.977 9.896 -0.396
89 H CYS 12 H CYS 12 3.304 7.765 0.214
90 HA CYS 12 HA CYS 12 2.455 6.239 -2.148
91 HB2 CYS 12 HB2 CYS 12 0.925 5.210 -0.066
92 HB3 CYS 12 HB3 CYS 12 2.252 4.397 -0.888
Start of MODEL 6
1 H1 ALA 1 H ALA 1 0.440 0.604 -1.477
2 HA ALA 1 HA ALA 1 2.697 -0.528 -0.045
3 HB1 ALA 1 HB1 ALA 1 3.852 -1.321 -2.009
4 HB2 ALA 1 HB2 ALA 1 2.285 -2.123 -1.887
5 HB3 ALA 1 HB3 ALA 1 2.516 -0.810 -3.042
6 H CYS 2 H CYS 2 4.403 0.847 0.071
7 HA CYS 2 HA CYS 2 4.018 3.501 -1.057
8 HB2 CYS 2 HB2 CYS 2 5.938 2.388 0.989
9 HB3 CYS 2 HB3 CYS 2 6.045 4.038 0.384
10 H PHE 3 H PHE 3 6.090 4.644 -1.793
11 HA PHE 3 HA PHE 3 7.945 2.901 -3.207
12 HB2 PHE 3 HB2 PHE 3 7.326 4.823 -5.133
13 HB3 PHE 3 HB3 PHE 3 6.896 3.116 -5.174
14 HD1 PHE 3 HD1 PHE 3 4.671 2.386 -4.384
15 HD2 PHE 3 HD2 PHE 3 5.698 6.500 -4.752
16 HE1 PHE 3 HE1 PHE 3 2.285 2.984 -4.314
17 HE2 PHE 3 HE2 PHE 3 3.314 7.105 -4.682
18 HZ PHE 3 HZ PHE 3 1.604 5.346 -4.462
19 H LEU 4 H LEU 4 9.892 3.908 -3.793
20 HA LEU 4 HA LEU 4 10.551 6.206 -2.180
21 HB2 LEU 4 HB2 LEU 4 12.273 4.695 -2.138
22 HB3 LEU 4 HB3 LEU 4 12.053 4.237 -3.826
23 HG LEU 4 HG LEU 4 13.049 6.455 -4.457
24 HD11 LEU 4 HD11 LEU 4 13.760 7.951 -2.946
25 HD12 LEU 4 HD12 LEU 4 14.352 6.710 -1.842
26 HD13 LEU 4 HD13 LEU 4 12.639 7.129 -1.860
27 HD21 LEU 4 HD21 LEU 4 15.401 5.710 -3.564
28 HD22 LEU 4 HD22 LEU 4 14.539 4.739 -4.758
29 HD23 LEU 4 HD23 LEU 4 14.515 4.271 -3.057
30 H THR 5 H THR 5 10.470 8.244 -2.833
31 HA THR 5 HA THR 5 10.356 8.793 -5.722
32 HB THR 5 HB THR 5 9.604 11.141 -4.540
33 HG1 THR 5 HG1 THR 5 8.453 10.728 -2.742
34 HG21 THR 5 HG21 THR 5 8.514 9.814 -6.394
35 HG22 THR 5 HG22 THR 5 7.406 10.638 -5.297
36 HG23 THR 5 HG23 THR 5 7.676 8.903 -5.138
37 H ARG 6 H ARG 6 11.371 10.792 -6.476
38 HA ARG 6 HA ARG 6 14.060 10.984 -5.613
39 HB2 ARG 6 HB2 ARG 6 12.389 12.627 -7.508
40 HB3 ARG 6 HB3 ARG 6 14.073 13.009 -7.177
41 HG2 ARG 6 HG2 ARG 6 14.065 11.745 -9.159
42 HG3 ARG 6 HG3 ARG 6 14.621 10.652 -7.890
43 HD2 ARG 6 HD2 ARG 6 11.710 10.719 -8.393
44 HD3 ARG 6 HD3 ARG 6 12.709 10.013 -9.663
45 HE ARG 6 HE ARG 6 12.124 8.880 -7.102
46 HH11 ARG 6 HH11 ARG 6 14.474 9.012 -9.667
47 HH12 ARG 6 HH12 ARG 6 15.152 7.460 -9.302
48 HH21 ARG 6 HH21 ARG 6 13.007 6.835 -6.612
49 HH22 ARG 6 HH22 ARG 6 14.316 6.222 -7.565
50 H LEU 7 H LEU 7 11.259 12.291 -4.336
51 HA LEU 7 HA LEU 7 12.183 14.846 -3.514
52 HB2 LEU 7 HB2 LEU 7 9.833 13.210 -3.168
53 HB3 LEU 7 HB3 LEU 7 10.286 13.988 -1.653
54 HG LEU 7 HG LEU 7 10.237 16.179 -2.836
55 HD11 LEU 7 HD11 LEU 7 8.910 16.163 -5.000
56 HD12 LEU 7 HD12 LEU 7 9.278 14.441 -5.090
57 HD13 LEU 7 HD13 LEU 7 10.587 15.623 -5.092
58 HD21 LEU 7 HD21 LEU 7 7.869 16.407 -2.761
59 HD22 LEU 7 HD22 LEU 7 8.321 15.234 -1.523
60 HD23 LEU 7 HD23 LEU 7 7.632 14.684 -3.052
61 H GLY 8 H GLY 8 12.478 11.623 -2.208
62 HA2 GLY 8 HA2 GLY 8 14.409 11.206 -0.774
63 HA3 GLY 8 HA3 GLY 8 14.082 12.748 0.002
64 H THR 9 H THR 9 11.547 10.491 -0.827
65 HA THR 9 HA THR 9 11.428 9.321 1.803
66 HB THR 9 HB THR 9 8.834 10.367 1.577
67 HG1 THR 9 HG1 THR 9 9.484 12.690 1.691
68 HG21 THR 9 HG21 THR 9 9.717 11.773 3.593
69 HG22 THR 9 HG22 THR 9 11.179 10.809 3.382
70 HG23 THR 9 HG23 THR 9 9.640 10.016 3.718
71 H TYR 10 H TYR 10 9.977 7.582 1.939
72 HA TYR 10 HA TYR 10 9.374 6.351 -0.582
73 HB2 TYR 10 HB2 TYR 10 9.943 5.405 1.937
74 HB3 TYR 10 HB3 TYR 10 8.214 5.103 1.805
75 HD1 TYR 10 HD1 TYR 10 7.842 2.878 1.325
76 HD2 TYR 10 HD2 TYR 10 11.032 4.890 -0.645
77 HE1 TYR 10 HE1 TYR 10 8.294 0.854 0.003
78 HE2 TYR 10 HE2 TYR 10 11.493 2.872 -1.973
79 HH TYR 10 HH TYR 10 9.557 -0.080 -1.561
80 H VAL 11 H VAL 11 7.943 8.453 -0.895
81 HA VAL 11 HA VAL 11 5.456 8.768 0.250
82 HB VAL 11 HB VAL 11 6.531 10.268 -1.473
83 HG11 VAL 11 HG11 VAL 11 7.015 8.525 -3.133
84 HG12 VAL 11 HG12 VAL 11 5.284 8.314 -3.404
85 HG13 VAL 11 HG13 VAL 11 6.063 9.841 -3.819
86 HG21 VAL 11 HG21 VAL 11 4.028 10.179 -0.659
87 HG22 VAL 11 HG22 VAL 11 4.526 11.266 -1.955
88 HG23 VAL 11 HG23 VAL 11 3.733 9.739 -2.342
89 H CYS 12 H CYS 12 3.376 8.035 -0.223
90 HA CYS 12 HA CYS 12 3.262 5.527 -1.768
91 HB2 CYS 12 HB2 CYS 12 1.317 6.107 0.432
92 HB3 CYS 12 HB3 CYS 12 1.869 4.554 -0.189
Start of MODEL 7
1 H1 ALA 1 H ALA 1 1.284 0.690 0.542
2 HA ALA 1 HA ALA 1 3.061 -0.833 -0.791
3 HB1 ALA 1 HB1 ALA 1 0.654 -0.379 -2.478
4 HB2 ALA 1 HB2 ALA 1 2.241 -0.347 -3.248
5 HB3 ALA 1 HB3 ALA 1 1.715 -1.785 -2.374
6 H CYS 2 H CYS 2 4.372 0.830 -0.062
7 HA CYS 2 HA CYS 2 3.989 3.507 -1.151
8 HB2 CYS 2 HB2 CYS 2 5.889 2.371 0.902
9 HB3 CYS 2 HB3 CYS 2 6.005 4.025 0.311
10 H PHE 3 H PHE 3 6.067 4.649 -1.865
11 HA PHE 3 HA PHE 3 7.931 2.910 -3.274
12 HB2 PHE 3 HB2 PHE 3 7.331 4.848 -5.192
13 HB3 PHE 3 HB3 PHE 3 6.899 3.142 -5.249
14 HD1 PHE 3 HD1 PHE 3 4.666 2.409 -4.480
15 HD2 PHE 3 HD2 PHE 3 5.702 6.524 -4.815
16 HE1 PHE 3 HE1 PHE 3 2.281 3.010 -4.426
17 HE2 PHE 3 HE2 PHE 3 3.318 7.132 -4.760
18 HZ PHE 3 HZ PHE 3 1.604 5.374 -4.565
19 H LEU 4 H LEU 4 9.883 3.919 -3.844
20 HA LEU 4 HA LEU 4 10.536 6.203 -2.207
21 HB2 LEU 4 HB2 LEU 4 12.254 4.688 -2.165
22 HB3 LEU 4 HB3 LEU 4 12.046 4.243 -3.858
23 HG LEU 4 HG LEU 4 13.050 6.464 -4.464
24 HD11 LEU 4 HD11 LEU 4 14.350 6.706 -1.853
25 HD12 LEU 4 HD12 LEU 4 12.632 7.101 -1.850
26 HD13 LEU 4 HD13 LEU 4 13.731 7.952 -2.936
27 HD21 LEU 4 HD21 LEU 4 14.539 4.749 -4.770
28 HD22 LEU 4 HD22 LEU 4 14.500 4.263 -3.075
29 HD23 LEU 4 HD23 LEU 4 15.395 5.704 -3.558
30 H THR 5 H THR 5 10.479 8.247 -2.844
31 HA THR 5 HA THR 5 10.380 8.818 -5.730
32 HB THR 5 HB THR 5 9.626 11.159 -4.536
33 HG1 THR 5 HG1 THR 5 9.435 10.389 -2.475
34 HG21 THR 5 HG21 THR 5 7.431 10.666 -5.310
35 HG22 THR 5 HG22 THR 5 7.698 8.929 -5.163
36 HG23 THR 5 HG23 THR 5 8.545 9.850 -6.405
37 H ARG 6 H ARG 6 11.406 10.821 -6.460
38 HA ARG 6 HA ARG 6 14.090 10.998 -5.578
39 HB2 ARG 6 HB2 ARG 6 12.436 12.663 -7.469
40 HB3 ARG 6 HB3 ARG 6 14.120 13.036 -7.124
41 HG2 ARG 6 HG2 ARG 6 14.121 11.789 -9.117
42 HG3 ARG 6 HG3 ARG 6 14.663 10.682 -7.853
43 HD2 ARG 6 HD2 ARG 6 11.756 10.767 -8.376
44 HD3 ARG 6 HD3 ARG 6 12.760 10.069 -9.647
45 HE ARG 6 HE ARG 6 12.159 8.917 -7.095
46 HH11 ARG 6 HH11 ARG 6 14.505 9.050 -9.664
47 HH12 ARG 6 HH12 ARG 6 15.169 7.488 -9.315
48 HH21 ARG 6 HH21 ARG 6 13.024 6.859 -6.626
49 HH22 ARG 6 HH22 ARG 6 14.324 6.242 -7.587
50 H LEU 7 H LEU 7 11.284 12.302 -4.309
51 HA LEU 7 HA LEU 7 12.208 14.848 -3.459
52 HB2 LEU 7 HB2 LEU 7 9.833 13.299 -3.252
53 HB3 LEU 7 HB3 LEU 7 10.282 13.835 -1.634
54 HG LEU 7 HG LEU 7 8.688 15.354 -2.719
55 HD11 LEU 7 HD11 LEU 7 9.615 17.166 -1.763
56 HD12 LEU 7 HD12 LEU 7 11.120 17.009 -2.669
57 HD13 LEU 7 HD13 LEU 7 10.844 16.014 -1.239
58 HD21 LEU 7 HD21 LEU 7 9.423 14.980 -5.038
59 HD22 LEU 7 HD22 LEU 7 10.908 15.868 -4.696
60 HD23 LEU 7 HD23 LEU 7 9.350 16.693 -4.626
61 H GLY 8 H GLY 8 12.467 11.614 -2.162
62 HA2 GLY 8 HA2 GLY 8 14.401 11.184 -0.727
63 HA3 GLY 8 HA3 GLY 8 14.067 12.718 0.062
64 H THR 9 H THR 9 11.525 10.488 -0.804
65 HA THR 9 HA THR 9 11.392 9.285 1.812
66 HB THR 9 HB THR 9 8.801 10.334 1.581
67 HG1 THR 9 HG1 THR 9 9.078 12.501 1.309
68 HG21 THR 9 HG21 THR 9 9.677 11.727 3.611
69 HG22 THR 9 HG22 THR 9 11.136 10.759 3.401
70 HG23 THR 9 HG23 THR 9 9.592 9.970 3.724
71 H TYR 10 H TYR 10 9.936 7.547 1.922
72 HA TYR 10 HA TYR 10 9.352 6.340 -0.614
73 HB2 TYR 10 HB2 TYR 10 9.898 5.370 1.900
74 HB3 TYR 10 HB3 TYR 10 8.169 5.074 1.753
75 HD1 TYR 10 HD1 TYR 10 7.793 2.856 1.250
76 HD2 TYR 10 HD2 TYR 10 11.006 4.873 -0.677
77 HE1 TYR 10 HE1 TYR 10 8.249 0.842 -0.086
78 HE2 TYR 10 HE2 TYR 10 11.469 2.865 -2.019
79 HH TYR 10 HH TYR 10 11.022 0.673 -2.268
80 H VAL 11 H VAL 11 7.927 8.447 -0.921
81 HA VAL 11 HA VAL 11 5.431 8.757 0.205
82 HB VAL 11 HB VAL 11 6.522 10.271 -1.494
83 HG11 VAL 11 HG11 VAL 11 5.294 8.333 -3.453
84 HG12 VAL 11 HG12 VAL 11 6.076 9.864 -3.849
85 HG13 VAL 11 HG13 VAL 11 7.021 8.541 -3.164
86 HG21 VAL 11 HG21 VAL 11 4.522 11.272 -1.992
87 HG22 VAL 11 HG22 VAL 11 3.731 9.748 -2.393
88 HG23 VAL 11 HG23 VAL 11 4.011 10.179 -0.706
89 H CYS 12 H CYS 12 3.355 8.028 -0.286
90 HA CYS 12 HA CYS 12 3.249 5.533 -1.852
91 HB2 CYS 12 HB2 CYS 12 1.283 6.106 0.331
92 HB3 CYS 12 HB3 CYS 12 1.835 4.556 -0.295
Start of MODEL 8
1 H1 ALA 1 H ALA 1 4.351 -1.401 0.522
2 HA ALA 1 HA ALA 1 2.588 -0.604 -1.646
3 HB1 ALA 1 HB1 ALA 1 2.053 0.507 1.093
4 HB2 ALA 1 HB2 ALA 1 1.074 0.657 -0.367
5 HB3 ALA 1 HB3 ALA 1 1.193 -0.897 0.460
6 H CYS 2 H CYS 2 2.402 2.016 -1.368
7 HA CYS 2 HA CYS 2 3.518 3.977 -1.650
8 HB2 CYS 2 HB2 CYS 2 5.350 2.798 0.451
9 HB3 CYS 2 HB3 CYS 2 5.339 4.485 -0.054
10 H PHE 3 H PHE 3 5.784 4.917 -2.179
11 HA PHE 3 HA PHE 3 7.563 3.014 -3.462
12 HB2 PHE 3 HB2 PHE 3 7.271 4.902 -5.472
13 HB3 PHE 3 HB3 PHE 3 6.631 3.262 -5.489
14 HD1 PHE 3 HD1 PHE 3 4.285 2.841 -4.907
15 HD2 PHE 3 HD2 PHE 3 5.848 6.791 -5.180
16 HE1 PHE 3 HE1 PHE 3 1.996 3.736 -5.019
17 HE2 PHE 3 HE2 PHE 3 3.562 7.692 -5.293
18 HZ PHE 3 HZ PHE 3 1.632 6.164 -5.211
19 H LEU 4 H LEU 4 9.639 3.751 -3.659
20 HA LEU 4 HA LEU 4 10.370 6.015 -2.095
21 HB2 LEU 4 HB2 LEU 4 11.962 4.366 -2.007
22 HB3 LEU 4 HB3 LEU 4 11.810 3.980 -3.720
23 HG LEU 4 HG LEU 4 13.029 6.085 -4.242
24 HD11 LEU 4 HD11 LEU 4 14.409 6.721 -1.999
25 HD12 LEU 4 HD12 LEU 4 12.815 6.374 -1.329
26 HD13 LEU 4 HD13 LEU 4 12.995 7.598 -2.585
27 HD21 LEU 4 HD21 LEU 4 14.180 3.794 -2.754
28 HD22 LEU 4 HD22 LEU 4 15.226 5.186 -3.040
29 HD23 LEU 4 HD23 LEU 4 14.483 4.346 -4.402
30 H THR 5 H THR 5 10.687 8.062 -2.682
31 HA THR 5 HA THR 5 10.812 8.678 -5.564
32 HB THR 5 HB THR 5 9.879 10.980 -4.721
33 HG1 THR 5 HG1 THR 5 9.481 10.886 -2.639
34 HG21 THR 5 HG21 THR 5 8.795 9.139 -6.186
35 HG22 THR 5 HG22 THR 5 7.752 10.342 -5.427
36 HG23 THR 5 HG23 THR 5 7.897 8.730 -4.726
37 H ARG 6 H ARG 6 12.169 10.365 -6.230
38 HA ARG 6 HA ARG 6 14.556 10.657 -4.703
39 HB2 ARG 6 HB2 ARG 6 13.628 12.026 -7.233
40 HB3 ARG 6 HB3 ARG 6 15.239 12.199 -6.548
41 HG2 ARG 6 HG2 ARG 6 15.580 10.582 -8.139
42 HG3 ARG 6 HG3 ARG 6 15.287 9.602 -6.700
43 HD2 ARG 6 HD2 ARG 6 12.873 10.324 -8.203
44 HD3 ARG 6 HD3 ARG 6 14.006 9.299 -9.084
45 HE ARG 6 HE ARG 6 12.411 8.565 -6.799
46 HH11 ARG 6 HH11 ARG 6 15.226 7.828 -8.709
47 HH12 ARG 6 HH12 ARG 6 15.283 6.166 -8.221
48 HH21 ARG 6 HH21 ARG 6 12.475 6.380 -6.148
49 HH22 ARG 6 HH22 ARG 6 13.717 5.344 -6.765
50 H LEU 7 H LEU 7 11.609 12.188 -4.502
51 HA LEU 7 HA LEU 7 12.462 14.859 -3.963
52 HB2 LEU 7 HB2 LEU 7 10.114 13.899 -4.615
53 HB3 LEU 7 HB3 LEU 7 9.926 13.727 -2.871
54 HG LEU 7 HG LEU 7 10.731 16.373 -3.994
55 HD11 LEU 7 HD11 LEU 7 8.138 16.778 -3.918
56 HD12 LEU 7 HD12 LEU 7 8.079 15.054 -4.285
57 HD13 LEU 7 HD13 LEU 7 8.919 16.159 -5.373
58 HD21 LEU 7 HD21 LEU 7 9.966 15.294 -1.468
59 HD22 LEU 7 HD22 LEU 7 8.781 16.505 -1.957
60 HD23 LEU 7 HD23 LEU 7 10.491 16.931 -1.862
61 H GLY 8 H GLY 8 12.196 11.946 -2.100
62 HA2 GLY 8 HA2 GLY 8 13.699 12.975 0.049
63 HA3 GLY 8 HA3 GLY 8 11.997 13.004 0.486
64 H THR 9 H THR 9 10.828 10.869 0.032
65 HA THR 9 HA THR 9 12.417 8.479 0.127
66 HB THR 9 HB THR 9 12.539 9.359 2.491
67 HG1 THR 9 HG1 THR 9 12.907 7.232 2.433
68 HG21 THR 9 HG21 THR 9 9.844 9.814 2.167
69 HG22 THR 9 HG22 THR 9 10.706 9.806 3.705
70 HG23 THR 9 HG23 THR 9 9.879 8.351 3.150
71 H TYR 10 H TYR 10 10.585 6.754 1.282
72 HA TYR 10 HA TYR 10 8.857 6.173 -0.787
73 HB2 TYR 10 HB2 TYR 10 9.262 5.248 1.941
74 HB3 TYR 10 HB3 TYR 10 7.570 5.158 1.463
75 HD1 TYR 10 HD1 TYR 10 7.202 2.869 1.170
76 HD2 TYR 10 HD2 TYR 10 10.601 4.677 -0.642
77 HE1 TYR 10 HE1 TYR 10 7.655 0.781 -0.048
78 HE2 TYR 10 HE2 TYR 10 11.063 2.594 -1.867
79 HH TYR 10 HH TYR 10 8.825 0.052 -2.080
80 H VAL 11 H VAL 11 6.978 6.961 -1.477
81 HA VAL 11 HA VAL 11 5.278 8.468 0.377
82 HB VAL 11 HB VAL 11 6.512 10.195 -0.746
83 HG11 VAL 11 HG11 VAL 11 5.633 8.990 -3.366
84 HG12 VAL 11 HG12 VAL 11 6.669 10.400 -3.136
85 HG13 VAL 11 HG13 VAL 11 7.241 8.799 -2.667
86 HG21 VAL 11 HG21 VAL 11 3.915 10.118 -2.239
87 HG22 VAL 11 HG22 VAL 11 3.946 10.307 -0.486
88 HG23 VAL 11 HG23 VAL 11 4.742 11.497 -1.515
89 H CYS 12 H CYS 12 3.132 8.157 0.094
90 HA CYS 12 HA CYS 12 2.244 6.743 -2.326
91 HB2 CYS 12 HB2 CYS 12 0.588 5.806 -0.295
92 HB3 CYS 12 HB3 CYS 12 1.874 4.908 -1.095
Start of MODEL 9
1 H1 ALA 1 H ALA 1 1.132 -0.669 -0.136
2 HA ALA 1 HA ALA 1 3.692 -1.331 -0.169
3 HB1 ALA 1 HB1 ALA 1 3.600 -0.790 -2.759
4 HB2 ALA 1 HB2 ALA 1 2.643 -2.090 -2.045
5 HB3 ALA 1 HB3 ALA 1 1.893 -0.532 -2.393
6 H CYS 2 H CYS 2 2.579 1.831 -1.371
7 HA CYS 2 HA CYS 2 3.648 3.819 -1.648
8 HB2 CYS 2 HB2 CYS 2 5.521 2.668 0.432
9 HB3 CYS 2 HB3 CYS 2 5.469 4.357 -0.062
10 H PHE 3 H PHE 3 5.889 4.815 -2.185
11 HA PHE 3 HA PHE 3 7.702 2.962 -3.494
12 HB2 PHE 3 HB2 PHE 3 7.353 4.852 -5.491
13 HB3 PHE 3 HB3 PHE 3 6.746 3.200 -5.511
14 HD1 PHE 3 HD1 PHE 3 5.895 6.710 -5.176
15 HD2 PHE 3 HD2 PHE 3 4.413 2.728 -4.915
16 HE1 PHE 3 HE1 PHE 3 3.590 7.565 -5.266
17 HE2 PHE 3 HE2 PHE 3 2.106 3.577 -5.005
18 HZ PHE 3 HZ PHE 3 1.691 5.998 -5.182
19 H LEU 4 H LEU 4 9.758 3.748 -3.699
20 HA LEU 4 HA LEU 4 10.447 6.020 -2.128
21 HB2 LEU 4 HB2 LEU 4 12.079 4.409 -2.062
22 HB3 LEU 4 HB3 LEU 4 11.923 4.029 -3.776
23 HG LEU 4 HG LEU 4 13.089 6.164 -4.295
24 HD11 LEU 4 HD11 LEU 4 13.073 7.678 -2.648
25 HD12 LEU 4 HD12 LEU 4 14.463 6.790 -2.025
26 HD13 LEU 4 HD13 LEU 4 12.850 6.457 -1.395
27 HD21 LEU 4 HD21 LEU 4 14.290 3.879 -2.853
28 HD22 LEU 4 HD22 LEU 4 15.308 5.301 -3.080
29 HD23 LEU 4 HD23 LEU 4 14.602 4.489 -4.478
30 H THR 5 H THR 5 10.773 8.075 -2.704
31 HA THR 5 HA THR 5 10.850 8.711 -5.582
32 HB THR 5 HB THR 5 9.853 10.980 -4.742
33 HG1 THR 5 HG1 THR 5 9.155 9.157 -2.670
34 HG21 THR 5 HG21 THR 5 8.803 9.111 -6.187
35 HG22 THR 5 HG22 THR 5 7.731 10.276 -5.410
36 HG23 THR 5 HG23 THR 5 7.941 8.669 -4.714
37 H ARG 6 H ARG 6 12.158 10.443 -6.238
38 HA ARG 6 HA ARG 6 14.540 10.783 -4.712
39 HB2 ARG 6 HB2 ARG 6 13.575 12.149 -7.230
40 HB3 ARG 6 HB3 ARG 6 15.182 12.353 -6.546
41 HG2 ARG 6 HG2 ARG 6 15.559 10.757 -8.150
42 HG3 ARG 6 HG3 ARG 6 15.288 9.759 -6.719
43 HD2 ARG 6 HD2 ARG 6 12.858 10.440 -8.215
44 HD3 ARG 6 HD3 ARG 6 14.013 9.449 -9.106
45 HE ARG 6 HE ARG 6 12.435 8.659 -6.828
46 HH11 ARG 6 HH11 ARG 6 15.267 8.002 -8.743
47 HH12 ARG 6 HH12 ARG 6 15.362 6.338 -8.269
48 HH21 ARG 6 HH21 ARG 6 12.548 6.470 -6.197
49 HH22 ARG 6 HH22 ARG 6 13.814 5.467 -6.822
50 H LEU 7 H LEU 7 11.555 12.235 -4.492
51 HA LEU 7 HA LEU 7 12.340 14.924 -3.937
52 HB2 LEU 7 HB2 LEU 7 10.017 13.910 -4.596
53 HB3 LEU 7 HB3 LEU 7 9.834 13.719 -2.853
54 HG LEU 7 HG LEU 7 10.654 16.368 -3.230
55 HD11 LEU 7 HD11 LEU 7 8.628 17.041 -4.723
56 HD12 LEU 7 HD12 LEU 7 8.824 15.419 -5.389
57 HD13 LEU 7 HD13 LEU 7 10.157 16.572 -5.468
58 HD21 LEU 7 HD21 LEU 7 9.187 16.096 -1.518
59 HD22 LEU 7 HD22 LEU 7 8.210 14.916 -2.393
60 HD23 LEU 7 HD23 LEU 7 8.049 16.636 -2.752
61 H GLY 8 H GLY 8 12.159 11.991 -2.099
62 HA2 GLY 8 HA2 GLY 8 13.633 13.039 0.058
63 HA3 GLY 8 HA3 GLY 8 11.931 13.025 0.496
64 H THR 9 H THR 9 10.813 10.866 0.028
65 HA THR 9 HA THR 9 12.455 8.513 0.100
66 HB THR 9 HB THR 9 12.571 9.379 2.471
67 HG1 THR 9 HG1 THR 9 12.666 7.335 3.104
68 HG21 THR 9 HG21 THR 9 9.906 9.845 2.196
69 HG22 THR 9 HG22 THR 9 10.738 9.701 3.744
70 HG23 THR 9 HG23 THR 9 9.897 8.310 3.062
71 H TYR 10 H TYR 10 10.669 6.739 1.253
72 HA TYR 10 HA TYR 10 8.942 6.134 -0.809
73 HB2 TYR 10 HB2 TYR 10 9.382 5.200 1.911
74 HB3 TYR 10 HB3 TYR 10 7.691 5.075 1.440
75 HD1 TYR 10 HD1 TYR 10 7.377 2.778 1.136
76 HD2 TYR 10 HD2 TYR 10 10.720 4.678 -0.685
77 HE1 TYR 10 HE1 TYR 10 7.872 0.709 -0.098
78 HE2 TYR 10 HE2 TYR 10 11.224 2.615 -1.925
79 HH TYR 10 HH TYR 10 10.306 0.601 -2.599
80 H VAL 11 H VAL 11 7.038 6.878 -1.480
81 HA VAL 11 HA VAL 11 5.318 8.338 0.393
82 HB VAL 11 HB VAL 11 6.510 10.095 -0.735
83 HG11 VAL 11 HG11 VAL 11 5.604 8.928 -3.361
84 HG12 VAL 11 HG12 VAL 11 6.670 10.312 -3.109
85 HG13 VAL 11 HG13 VAL 11 7.213 8.689 -2.680
86 HG21 VAL 11 HG21 VAL 11 3.948 10.153 -0.439
87 HG22 VAL 11 HG22 VAL 11 4.705 11.368 -1.469
88 HG23 VAL 11 HG23 VAL 11 3.895 9.979 -2.194
89 H CYS 12 H CYS 12 3.177 7.982 0.122
90 HA CYS 12 HA CYS 12 2.304 6.561 -2.298
91 HB2 CYS 12 HB2 CYS 12 0.686 5.572 -0.260
92 HB3 CYS 12 HB3 CYS 12 1.986 4.710 -1.076
Start of MODEL 10
1 H1 ALA 1 H ALA 1 3.056 -1.987 -1.771
2 HA ALA 1 HA ALA 1 2.016 -0.083 -1.085
3 HB1 ALA 1 HB1 ALA 1 3.238 -0.184 1.613
4 HB2 ALA 1 HB2 ALA 1 1.561 0.083 1.136
5 HB3 ALA 1 HB3 ALA 1 2.233 -1.548 1.121
6 H CYS 2 H CYS 2 2.407 2.072 -1.210
7 HA CYS 2 HA CYS 2 3.566 4.007 -1.501
8 HB2 CYS 2 HB2 CYS 2 5.372 2.786 0.597
9 HB3 CYS 2 HB3 CYS 2 5.417 4.468 0.081
10 H PHE 3 H PHE 3 5.809 4.908 -2.093
11 HA PHE 3 HA PHE 3 7.577 2.973 -3.340
12 HB2 PHE 3 HB2 PHE 3 7.253 4.795 -5.406
13 HB3 PHE 3 HB3 PHE 3 6.624 3.151 -5.364
14 HD1 PHE 3 HD1 PHE 3 4.288 2.731 -4.759
15 HD2 PHE 3 HD2 PHE 3 5.819 6.684 -5.142
16 HE1 PHE 3 HE1 PHE 3 1.991 3.606 -4.875
17 HE2 PHE 3 HE2 PHE 3 3.525 7.565 -5.258
18 HZ PHE 3 HZ PHE 3 1.607 6.026 -5.123
19 H LEU 4 H LEU 4 9.647 3.708 -3.572
20 HA LEU 4 HA LEU 4 10.375 6.041 -2.105
21 HB2 LEU 4 HB2 LEU 4 11.959 4.384 -1.941
22 HB3 LEU 4 HB3 LEU 4 11.826 3.943 -3.642
23 HG LEU 4 HG LEU 4 13.036 6.056 -4.206
24 HD11 LEU 4 HD11 LEU 4 14.421 6.672 -1.938
25 HD12 LEU 4 HD12 LEU 4 12.796 6.396 -1.312
26 HD13 LEU 4 HD13 LEU 4 13.060 7.592 -2.581
27 HD21 LEU 4 HD21 LEU 4 14.438 4.252 -4.342
28 HD22 LEU 4 HD22 LEU 4 14.217 3.810 -2.649
29 HD23 LEU 4 HD23 LEU 4 15.245 5.178 -3.076
30 H THR 5 H THR 5 10.898 8.039 -2.789
31 HA THR 5 HA THR 5 11.028 8.520 -5.691
32 HB THR 5 HB THR 5 9.980 10.836 -5.002
33 HG1 THR 5 HG1 THR 5 9.036 10.859 -3.104
34 HG21 THR 5 HG21 THR 5 7.903 10.094 -5.796
35 HG22 THR 5 HG22 THR 5 8.106 8.489 -5.093
36 HG23 THR 5 HG23 THR 5 9.058 8.963 -6.500
37 H ARG 6 H ARG 6 12.191 10.454 -6.312
38 HA ARG 6 HA ARG 6 14.571 10.804 -4.759
39 HB2 ARG 6 HB2 ARG 6 13.861 12.565 -7.076
40 HB3 ARG 6 HB3 ARG 6 15.434 11.947 -6.590
41 HG2 ARG 6 HG2 ARG 6 13.213 10.436 -7.942
42 HG3 ARG 6 HG3 ARG 6 14.797 10.848 -8.601
43 HD2 ARG 6 HD2 ARG 6 15.528 8.878 -7.878
44 HD3 ARG 6 HD3 ARG 6 15.324 9.474 -6.231
45 HE ARG 6 HE ARG 6 12.861 8.606 -6.793
46 HH11 ARG 6 HH11 ARG 6 15.980 7.130 -7.261
47 HH12 ARG 6 HH12 ARG 6 15.386 5.513 -7.080
48 HH21 ARG 6 HH21 ARG 6 12.068 6.481 -6.552
49 HH22 ARG 6 HH22 ARG 6 13.161 5.144 -6.678
50 H LEU 7 H LEU 7 11.562 12.107 -4.461
51 HA LEU 7 HA LEU 7 12.214 14.841 -3.940
52 HB2 LEU 7 HB2 LEU 7 9.925 13.651 -4.505
53 HB3 LEU 7 HB3 LEU 7 9.811 13.549 -2.749
54 HG LEU 7 HG LEU 7 10.491 16.216 -3.358
55 HD11 LEU 7 HD11 LEU 7 8.274 15.149 -5.096
56 HD12 LEU 7 HD12 LEU 7 9.777 15.898 -5.632
57 HD13 LEU 7 HD13 LEU 7 8.570 16.858 -4.778
58 HD21 LEU 7 HD21 LEU 7 9.130 15.301 -1.474
59 HD22 LEU 7 HD22 LEU 7 7.796 15.097 -2.609
60 HD23 LEU 7 HD23 LEU 7 8.424 16.709 -2.267
61 H GLY 8 H GLY 8 12.222 11.906 -2.088
62 HA2 GLY 8 HA2 GLY 8 13.760 12.942 -0.006
63 HA3 GLY 8 HA3 GLY 8 12.081 13.029 0.504
64 H THR 9 H THR 9 10.853 10.876 0.000
65 HA THR 9 HA THR 9 12.398 8.470 0.163
66 HB THR 9 HB THR 9 10.788 8.370 2.531
67 HG1 THR 9 HG1 THR 9 11.295 10.168 3.529
68 HG21 THR 9 HG21 THR 9 12.500 6.861 2.549
69 HG22 THR 9 HG22 THR 9 13.279 8.159 3.454
70 HG23 THR 9 HG23 THR 9 13.619 7.955 1.736
71 H TYR 10 H TYR 10 10.612 6.732 1.243
72 HA TYR 10 HA TYR 10 8.849 6.167 -0.770
73 HB2 TYR 10 HB2 TYR 10 9.216 5.297 1.990
74 HB3 TYR 10 HB3 TYR 10 7.539 5.190 1.469
75 HD1 TYR 10 HD1 TYR 10 10.575 4.707 -0.614
76 HD2 TYR 10 HD2 TYR 10 7.238 2.868 1.279
77 HE1 TYR 10 HE1 TYR 10 11.079 2.603 -1.783
78 HE2 TYR 10 HE2 TYR 10 7.733 0.758 0.116
79 HH TYR 10 HH TYR 10 8.895 -0.087 -1.748
80 H VAL 11 H VAL 11 6.989 6.978 -1.481
81 HA VAL 11 HA VAL 11 5.316 8.553 0.347
82 HB VAL 11 HB VAL 11 6.555 10.226 -0.846
83 HG11 VAL 11 HG11 VAL 11 7.269 8.767 -2.716
84 HG12 VAL 11 HG12 VAL 11 5.656 8.924 -3.413
85 HG13 VAL 11 HG13 VAL 11 6.688 10.345 -3.248
86 HG21 VAL 11 HG21 VAL 11 3.948 10.118 -2.319
87 HG22 VAL 11 HG22 VAL 11 3.995 10.377 -0.575
88 HG23 VAL 11 HG23 VAL 11 4.794 11.517 -1.657
89 H CYS 12 H CYS 12 3.187 8.170 0.155
90 HA CYS 12 HA CYS 12 2.235 6.740 -2.234
91 HB2 CYS 12 HB2 CYS 12 0.632 5.823 -0.154
92 HB3 CYS 12 HB3 CYS 12 1.908 4.921 -0.966
Start of MODEL 11
1 H1 ALA 1 H ALA 1 2.081 0.202 -2.165
2 HA ALA 1 HA ALA 1 2.391 -0.250 0.410
3 HB1 ALA 1 HB1 ALA 1 3.187 -2.559 -0.226
4 HB2 ALA 1 HB2 ALA 1 4.675 -1.797 -0.790
5 HB3 ALA 1 HB3 ALA 1 4.211 -1.677 0.908
6 H CYS 2 H CYS 2 2.541 1.939 -1.127
7 HA CYS 2 HA CYS 2 3.663 3.893 -1.433
8 HB2 CYS 2 HB2 CYS 2 5.509 2.711 0.653
9 HB3 CYS 2 HB3 CYS 2 5.519 4.393 0.132
10 H PHE 3 H PHE 3 5.886 4.831 -2.045
11 HA PHE 3 HA PHE 3 7.677 2.924 -3.301
12 HB2 PHE 3 HB2 PHE 3 7.304 4.734 -5.370
13 HB3 PHE 3 HB3 PHE 3 6.705 3.080 -5.318
14 HD1 PHE 3 HD1 PHE 3 5.839 6.598 -5.096
15 HD2 PHE 3 HD2 PHE 3 4.381 2.619 -4.696
16 HE1 PHE 3 HE1 PHE 3 3.529 7.439 -5.195
17 HE2 PHE 3 HE2 PHE 3 2.069 3.453 -4.795
18 HZ PHE 3 HZ PHE 3 1.640 5.865 -5.046
19 H LEU 4 H LEU 4 9.732 3.696 -3.555
20 HA LEU 4 HA LEU 4 10.431 6.044 -2.099
21 HB2 LEU 4 HB2 LEU 4 12.049 4.419 -1.948
22 HB3 LEU 4 HB3 LEU 4 11.905 3.970 -3.647
23 HG LEU 4 HG LEU 4 13.071 6.101 -4.231
24 HD11 LEU 4 HD11 LEU 4 14.080 7.450 -2.619
25 HD12 LEU 4 HD12 LEU 4 13.856 6.255 -1.342
26 HD13 LEU 4 HD13 LEU 4 12.468 7.143 -1.970
27 HD21 LEU 4 HD21 LEU 4 14.507 4.326 -4.374
28 HD22 LEU 4 HD22 LEU 4 14.306 3.882 -2.679
29 HD23 LEU 4 HD23 LEU 4 15.306 5.268 -3.116
30 H THR 5 H THR 5 10.920 8.050 -2.790
31 HA THR 5 HA THR 5 11.004 8.530 -5.694
32 HB THR 5 HB THR 5 9.931 10.831 -4.992
33 HG1 THR 5 HG1 THR 5 9.239 9.057 -2.891
34 HG21 THR 5 HG21 THR 5 7.855 10.057 -5.758
35 HG22 THR 5 HG22 THR 5 8.093 8.455 -5.059
36 HG23 THR 5 HG23 THR 5 9.018 8.945 -6.478
37 H ARG 6 H ARG 6 12.128 10.482 -6.331
38 HA ARG 6 HA ARG 6 14.524 10.869 -4.809
39 HB2 ARG 6 HB2 ARG 6 13.759 12.615 -7.119
40 HB3 ARG 6 HB3 ARG 6 15.347 12.021 -6.653
41 HG2 ARG 6 HG2 ARG 6 13.131 10.475 -7.973
42 HG3 ARG 6 HG3 ARG 6 14.700 10.910 -8.655
43 HD2 ARG 6 HD2 ARG 6 15.470 8.952 -7.938
44 HD3 ARG 6 HD3 ARG 6 15.278 9.547 -6.289
45 HE ARG 6 HE ARG 6 12.822 8.641 -6.821
46 HH11 ARG 6 HH11 ARG 6 15.958 7.213 -7.322
47 HH12 ARG 6 HH12 ARG 6 15.392 5.587 -7.131
48 HH21 ARG 6 HH21 ARG 6 12.065 6.504 -6.568
49 HH22 ARG 6 HH22 ARG 6 13.178 5.184 -6.703
50 H LEU 7 H LEU 7 11.501 12.124 -4.470
51 HA LEU 7 HA LEU 7 12.118 14.870 -3.963
52 HB2 LEU 7 HB2 LEU 7 9.841 13.651 -4.501
53 HB3 LEU 7 HB3 LEU 7 9.750 13.540 -2.744
54 HG LEU 7 HG LEU 7 10.371 16.229 -3.694
55 HD11 LEU 7 HD11 LEU 7 8.103 16.694 -4.516
56 HD12 LEU 7 HD12 LEU 7 7.742 14.969 -4.465
57 HD13 LEU 7 HD13 LEU 7 8.977 15.579 -5.566
58 HD21 LEU 7 HD21 LEU 7 8.542 14.894 -1.750
59 HD22 LEU 7 HD22 LEU 7 8.243 16.568 -2.218
60 HD23 LEU 7 HD23 LEU 7 9.778 16.121 -1.473
61 H GLY 8 H GLY 8 12.187 11.938 -2.106
62 HA2 GLY 8 HA2 GLY 8 13.738 12.999 -0.045
63 HA3 GLY 8 HA3 GLY 8 12.064 13.064 0.485
64 H THR 9 H THR 9 10.861 10.892 -0.008
65 HA THR 9 HA THR 9 12.443 8.509 0.146
66 HB THR 9 HB THR 9 10.855 8.388 2.527
67 HG1 THR 9 HG1 THR 9 11.158 10.341 3.277
68 HG21 THR 9 HG21 THR 9 12.592 6.906 2.530
69 HG22 THR 9 HG22 THR 9 13.353 8.216 3.433
70 HG23 THR 9 HG23 THR 9 13.687 8.020 1.713
71 H TYR 10 H TYR 10 10.693 6.746 1.244
72 HA TYR 10 HA TYR 10 8.922 6.151 -0.754
73 HB2 TYR 10 HB2 TYR 10 9.322 5.293 2.006
74 HB3 TYR 10 HB3 TYR 10 7.644 5.157 1.495
75 HD1 TYR 10 HD1 TYR 10 10.674 4.719 -0.606
76 HD2 TYR 10 HD2 TYR 10 7.380 2.830 1.312
77 HE1 TYR 10 HE1 TYR 10 11.205 2.621 -1.774
78 HE2 TYR 10 HE2 TYR 10 7.902 0.727 0.151
79 HH TYR 10 HH TYR 10 10.586 0.524 -2.166
80 H VAL 11 H VAL 11 7.030 6.911 -1.442
81 HA VAL 11 HA VAL 11 5.353 8.470 0.393
82 HB VAL 11 HB VAL 11 6.553 10.163 -0.810
83 HG11 VAL 11 HG11 VAL 11 5.654 8.859 -3.375
84 HG12 VAL 11 HG12 VAL 11 6.688 10.279 -3.205
85 HG13 VAL 11 HG13 VAL 11 7.269 8.697 -2.685
86 HG21 VAL 11 HG21 VAL 11 3.998 10.278 -0.521
87 HG22 VAL 11 HG22 VAL 11 4.766 11.422 -1.622
88 HG23 VAL 11 HG23 VAL 11 3.935 10.004 -2.262
89 H CYS 12 H CYS 12 3.230 8.049 0.221
90 HA CYS 12 HA CYS 12 2.283 6.602 -2.160
91 HB2 CYS 12 HB2 CYS 12 0.710 5.663 -0.067
92 HB3 CYS 12 HB3 CYS 12 1.995 4.780 -0.886
Start of MODEL 12
1 H1 ALA 1 H ALA 1 2.083 -0.372 -2.290
2 HA ALA 1 HA ALA 1 2.116 -0.057 0.093
3 HB1 ALA 1 HB1 ALA 1 3.548 -1.232 1.502
4 HB2 ALA 1 HB2 ALA 1 3.111 -2.422 0.275
5 HB3 ALA 1 HB3 ALA 1 4.675 -1.612 0.199
6 H CYS 2 H CYS 2 2.500 1.979 -1.118
7 HA CYS 2 HA CYS 2 3.631 3.927 -1.428
8 HB2 CYS 2 HB2 CYS 2 5.469 2.742 0.662
9 HB3 CYS 2 HB3 CYS 2 5.488 4.422 0.137
10 H PHE 3 H PHE 3 5.860 4.854 -2.040
11 HA PHE 3 HA PHE 3 7.642 2.936 -3.291
12 HB2 PHE 3 HB2 PHE 3 7.280 4.743 -5.364
13 HB3 PHE 3 HB3 PHE 3 6.671 3.092 -5.308
14 HD1 PHE 3 HD1 PHE 3 5.826 6.616 -5.096
15 HD2 PHE 3 HD2 PHE 3 4.344 2.647 -4.685
16 HE1 PHE 3 HE1 PHE 3 3.521 7.470 -5.198
17 HE2 PHE 3 HE2 PHE 3 2.037 3.494 -4.788
18 HZ PHE 3 HZ PHE 3 1.623 5.908 -5.046
19 H LEU 4 H LEU 4 9.701 3.697 -3.543
20 HA LEU 4 HA LEU 4 10.411 6.043 -2.091
21 HB2 LEU 4 HB2 LEU 4 12.021 4.410 -1.938
22 HB3 LEU 4 HB3 LEU 4 11.875 3.960 -3.636
23 HG LEU 4 HG LEU 4 13.053 6.082 -4.224
24 HD11 LEU 4 HD11 LEU 4 12.449 7.122 -1.954
25 HD12 LEU 4 HD12 LEU 4 14.049 7.443 -2.622
26 HD13 LEU 4 HD13 LEU 4 13.852 6.246 -1.341
27 HD21 LEU 4 HD21 LEU 4 14.480 4.299 -4.357
28 HD22 LEU 4 HD22 LEU 4 14.277 3.865 -2.660
29 HD23 LEU 4 HD23 LEU 4 15.282 5.245 -3.103
30 H THR 5 H THR 5 10.913 8.045 -2.784
31 HA THR 5 HA THR 5 10.997 8.521 -5.689
32 HB THR 5 HB THR 5 9.940 10.830 -4.987
33 HG1 THR 5 HG1 THR 5 9.910 10.184 -2.717
34 HG21 THR 5 HG21 THR 5 7.860 10.071 -5.755
35 HG22 THR 5 HG22 THR 5 8.085 8.468 -5.055
36 HG23 THR 5 HG23 THR 5 9.015 8.949 -6.473
37 H ARG 6 H ARG 6 12.132 10.466 -6.329
38 HA ARG 6 HA ARG 6 14.531 10.841 -4.809
39 HB2 ARG 6 HB2 ARG 6 13.779 12.586 -7.124
40 HB3 ARG 6 HB3 ARG 6 15.362 11.980 -6.656
41 HG2 ARG 6 HG2 ARG 6 13.135 10.448 -7.971
42 HG3 ARG 6 HG3 ARG 6 14.706 10.870 -8.656
43 HD2 ARG 6 HD2 ARG 6 15.466 8.910 -7.934
44 HD3 ARG 6 HD3 ARG 6 15.275 9.509 -6.286
45 HE ARG 6 HE ARG 6 12.815 8.616 -6.819
46 HH11 ARG 6 HH11 ARG 6 15.943 7.169 -7.312
47 HH12 ARG 6 HH12 ARG 6 15.368 5.547 -7.119
48 HH21 ARG 6 HH21 ARG 6 12.045 6.484 -6.563
49 HH22 ARG 6 HH22 ARG 6 13.150 5.158 -6.693
50 H LEU 7 H LEU 7 11.517 12.114 -4.471
51 HA LEU 7 HA LEU 7 12.153 14.858 -3.972
52 HB2 LEU 7 HB2 LEU 7 9.854 13.522 -4.428
53 HB3 LEU 7 HB3 LEU 7 9.780 13.683 -2.674
54 HG LEU 7 HG LEU 7 8.550 15.467 -3.806
55 HD11 LEU 7 HD11 LEU 7 9.268 17.173 -2.432
56 HD12 LEU 7 HD12 LEU 7 10.972 16.774 -2.647
57 HD13 LEU 7 HD13 LEU 7 9.949 15.754 -1.636
58 HD21 LEU 7 HD21 LEU 7 10.311 15.401 -5.761
59 HD22 LEU 7 HD22 LEU 7 11.087 16.663 -4.804
60 HD23 LEU 7 HD23 LEU 7 9.432 16.880 -5.375
61 H GLY 8 H GLY 8 12.197 11.929 -2.108
62 HA2 GLY 8 HA2 GLY 8 13.753 12.986 -0.046
63 HA3 GLY 8 HA3 GLY 8 12.078 13.059 0.481
64 H THR 9 H THR 9 10.864 10.894 -0.007
65 HA THR 9 HA THR 9 12.434 8.503 0.151
66 HB THR 9 HB THR 9 10.843 8.394 2.531
67 HG1 THR 9 HG1 THR 9 11.684 10.057 3.703
68 HG21 THR 9 HG21 THR 9 12.575 6.902 2.526
69 HG22 THR 9 HG22 THR 9 13.332 8.203 3.445
70 HG23 THR 9 HG23 THR 9 13.680 8.019 1.726
71 H TYR 10 H TYR 10 10.674 6.751 1.250
72 HA TYR 10 HA TYR 10 8.903 6.162 -0.749
73 HB2 TYR 10 HB2 TYR 10 9.296 5.306 2.012
74 HB3 TYR 10 HB3 TYR 10 7.617 5.178 1.500
75 HD1 TYR 10 HD1 TYR 10 7.342 2.852 1.323
76 HD2 TYR 10 HD2 TYR 10 10.648 4.720 -0.596
77 HE1 TYR 10 HE1 TYR 10 7.853 0.743 0.165
78 HE2 TYR 10 HE2 TYR 10 11.168 2.617 -1.760
79 HH TYR 10 HH TYR 10 10.393 -0.168 -0.960
80 H VAL 11 H VAL 11 7.015 6.930 -1.440
81 HA VAL 11 HA VAL 11 5.344 8.501 0.390
82 HB VAL 11 HB VAL 11 6.554 10.185 -0.815
83 HG11 VAL 11 HG11 VAL 11 7.283 8.739 -2.684
84 HG12 VAL 11 HG12 VAL 11 5.661 8.852 -3.369
85 HG13 VAL 11 HG13 VAL 11 6.661 10.298 -3.223
86 HG21 VAL 11 HG21 VAL 11 4.005 10.322 -0.524
87 HG22 VAL 11 HG22 VAL 11 4.773 11.449 -1.641
88 HG23 VAL 11 HG23 VAL 11 3.931 10.029 -2.262
89 H CYS 12 H CYS 12 3.218 8.093 0.215
90 HA CYS 12 HA CYS 12 2.266 6.644 -2.162
91 HB2 CYS 12 HB2 CYS 12 0.687 5.718 -0.068
92 HB3 CYS 12 HB3 CYS 12 1.967 4.826 -0.885
Start of MODEL 13
1 H1 ALA 1 H ALA 1 0.089 0.028 -0.572
2 HA ALA 1 HA ALA 1 2.800 -0.590 -0.854
3 HB1 ALA 1 HB1 ALA 1 1.994 0.146 -3.388
4 HB2 ALA 1 HB2 ALA 1 1.848 -1.460 -2.672
5 HB3 ALA 1 HB3 ALA 1 0.492 -0.335 -2.598
6 H CYS 2 H CYS 2 4.321 0.869 -0.313
7 HA CYS 2 HA CYS 2 4.080 3.613 -1.317
8 HB2 CYS 2 HB2 CYS 2 5.948 2.413 0.738
9 HB3 CYS 2 HB3 CYS 2 5.954 4.103 0.244
10 H PHE 3 H PHE 3 6.193 4.639 -2.010
11 HA PHE 3 HA PHE 3 8.074 2.818 -3.273
12 HB2 PHE 3 HB2 PHE 3 7.575 4.615 -5.333
13 HB3 PHE 3 HB3 PHE 3 7.080 2.926 -5.281
14 HD1 PHE 3 HD1 PHE 3 6.002 6.379 -5.073
15 HD2 PHE 3 HD2 PHE 3 4.798 2.325 -4.594
16 HE1 PHE 3 HE1 PHE 3 3.643 7.076 -5.140
17 HE2 PHE 3 HE2 PHE 3 2.437 3.015 -4.662
18 HZ PHE 3 HZ PHE 3 1.857 5.392 -4.936
19 H LEU 4 H LEU 4 10.088 3.674 -3.494
20 HA LEU 4 HA LEU 4 10.679 6.069 -2.076
21 HB2 LEU 4 HB2 LEU 4 12.369 4.517 -1.918
22 HB3 LEU 4 HB3 LEU 4 12.246 4.056 -3.614
23 HG LEU 4 HG LEU 4 13.310 6.238 -4.206
24 HD11 LEU 4 HD11 LEU 4 12.982 6.649 -1.362
25 HD12 LEU 4 HD12 LEU 4 13.365 7.808 -2.635
26 HD13 LEU 4 HD13 LEU 4 14.655 6.881 -1.869
27 HD21 LEU 4 HD21 LEU 4 14.656 4.095 -2.634
28 HD22 LEU 4 HD22 LEU 4 15.584 5.520 -3.102
29 HD23 LEU 4 HD23 LEU 4 14.821 4.519 -4.338
30 H THR 5 H THR 5 11.039 8.091 -2.784
31 HA THR 5 HA THR 5 11.114 8.549 -5.692
32 HB THR 5 HB THR 5 9.915 10.796 -5.010
33 HG1 THR 5 HG1 THR 5 9.343 10.740 -2.973
34 HG21 THR 5 HG21 THR 5 7.893 9.908 -5.792
35 HG22 THR 5 HG22 THR 5 8.204 8.328 -5.075
36 HG23 THR 5 HG23 THR 5 9.117 8.849 -6.490
37 H ARG 6 H ARG 6 12.139 10.547 -6.345
38 HA ARG 6 HA ARG 6 14.498 11.083 -4.811
39 HB2 ARG 6 HB2 ARG 6 13.662 12.754 -7.151
40 HB3 ARG 6 HB3 ARG 6 15.274 12.249 -6.665
41 HG2 ARG 6 HG2 ARG 6 13.152 10.572 -7.978
42 HG3 ARG 6 HG3 ARG 6 14.699 11.081 -8.657
43 HD2 ARG 6 HD2 ARG 6 15.576 9.182 -7.905
44 HD3 ARG 6 HD3 ARG 6 15.326 9.780 -6.265
45 HE ARG 6 HE ARG 6 12.933 8.730 -6.822
46 HH11 ARG 6 HH11 ARG 6 16.151 7.479 -7.268
47 HH12 ARG 6 HH12 ARG 6 15.676 5.825 -7.069
48 HH21 ARG 6 HH21 ARG 6 12.295 6.556 -6.559
49 HH22 ARG 6 HH22 ARG 6 13.482 5.301 -6.667
50 H LEU 7 H LEU 7 11.408 12.179 -4.515
51 HA LEU 7 HA LEU 7 11.903 14.959 -4.019
52 HB2 LEU 7 HB2 LEU 7 9.679 13.513 -4.547
53 HB3 LEU 7 HB3 LEU 7 9.537 13.698 -2.801
54 HG LEU 7 HG LEU 7 8.275 15.411 -4.005
55 HD11 LEU 7 HD11 LEU 7 8.854 17.147 -2.617
56 HD12 LEU 7 HD12 LEU 7 10.584 16.865 -2.802
57 HD13 LEU 7 HD13 LEU 7 9.619 15.785 -1.796
58 HD21 LEU 7 HD21 LEU 7 10.316 17.117 -4.926
59 HD22 LEU 7 HD22 LEU 7 9.085 16.284 -5.877
60 HD23 LEU 7 HD23 LEU 7 10.651 15.520 -5.596
61 H GLY 8 H GLY 8 12.042 12.036 -2.163
62 HA2 GLY 8 HA2 GLY 8 13.438 13.198 -0.034
63 HA3 GLY 8 HA3 GLY 8 11.743 13.112 0.425
64 H THR 9 H THR 9 10.723 10.895 0.023
65 HA THR 9 HA THR 9 12.470 8.621 0.115
66 HB THR 9 HB THR 9 10.932 8.386 2.523
67 HG1 THR 9 HG1 THR 9 11.143 10.702 2.565
68 HG21 THR 9 HG21 THR 9 12.796 7.332 3.202
69 HG22 THR 9 HG22 THR 9 13.829 8.698 2.782
70 HG23 THR 9 HG23 THR 9 13.349 7.541 1.542
71 H TYR 10 H TYR 10 10.860 6.740 1.239
72 HA TYR 10 HA TYR 10 9.105 6.026 -0.733
73 HB2 TYR 10 HB2 TYR 10 9.591 5.205 2.027
74 HB3 TYR 10 HB3 TYR 10 7.923 4.948 1.526
75 HD1 TYR 10 HD1 TYR 10 7.829 2.606 1.355
76 HD2 TYR 10 HD2 TYR 10 10.963 4.725 -0.593
77 HE1 TYR 10 HE1 TYR 10 8.494 0.543 0.194
78 HE2 TYR 10 HE2 TYR 10 11.636 2.667 -1.761
79 HH TYR 10 HH TYR 10 9.978 0.241 -2.318
80 H VAL 11 H VAL 11 7.302 6.899 -1.481
81 HA VAL 11 HA VAL 11 5.509 8.285 0.400
82 HB VAL 11 HB VAL 11 6.596 10.018 -0.853
83 HG11 VAL 11 HG11 VAL 11 6.640 10.100 -3.267
84 HG12 VAL 11 HG12 VAL 11 7.373 8.592 -2.717
85 HG13 VAL 11 HG13 VAL 11 5.733 8.592 -3.366
86 HG21 VAL 11 HG21 VAL 11 3.967 9.703 -2.255
87 HG22 VAL 11 HG22 VAL 11 4.039 9.996 -0.517
88 HG23 VAL 11 HG23 VAL 11 4.730 11.168 -1.639
89 H CYS 12 H CYS 12 3.420 7.717 0.294
90 HA CYS 12 HA CYS 12 2.497 6.207 -2.056
91 HB2 CYS 12 HB2 CYS 12 1.044 5.185 0.086
92 HB3 CYS 12 HB3 CYS 12 2.351 4.376 -0.772
Start of MODEL 14
1 H1 ALA 1 H ALA 1 0.960 -0.835 -0.415
2 HA ALA 1 HA ALA 1 3.037 -0.481 0.972
3 HB1 ALA 1 HB1 ALA 1 4.907 -1.551 0.408
4 HB2 ALA 1 HB2 ALA 1 3.920 -2.481 -0.720
5 HB3 ALA 1 HB3 ALA 1 4.779 -1.045 -1.277
6 H CYS 2 H CYS 2 4.894 1.086 0.099
7 HA CYS 2 HA CYS 2 3.518 3.054 -1.601
8 HB2 CYS 2 HB2 CYS 2 5.482 3.357 0.661
9 HB3 CYS 2 HB3 CYS 2 5.192 4.664 -0.484
10 H PHE 3 H PHE 3 5.418 4.694 -2.415
11 HA PHE 3 HA PHE 3 7.429 3.013 -3.757
12 HB2 PHE 3 HB2 PHE 3 7.026 5.015 -5.561
13 HB3 PHE 3 HB3 PHE 3 6.252 3.436 -5.641
14 HD1 PHE 3 HD1 PHE 3 5.793 6.979 -5.007
15 HD2 PHE 3 HD2 PHE 3 3.930 3.154 -4.912
16 HE1 PHE 3 HE1 PHE 3 3.587 8.061 -4.868
17 HE2 PHE 3 HE2 PHE 3 1.721 4.229 -4.774
18 HZ PHE 3 HZ PHE 3 1.548 6.686 -4.752
19 H LEU 4 H LEU 4 9.449 3.912 -4.086
20 HA LEU 4 HA LEU 4 10.136 6.075 -2.306
21 HB2 LEU 4 HB2 LEU 4 11.734 4.413 -2.271
22 HB3 LEU 4 HB3 LEU 4 11.646 4.149 -4.011
23 HG LEU 4 HG LEU 4 12.839 6.309 -4.338
24 HD11 LEU 4 HD11 LEU 4 13.141 7.730 -2.666
25 HD12 LEU 4 HD12 LEU 4 13.996 6.502 -1.733
26 HD13 LEU 4 HD13 LEU 4 12.243 6.642 -1.606
27 HD21 LEU 4 HD21 LEU 4 14.165 4.146 -2.715
28 HD22 LEU 4 HD22 LEU 4 15.046 5.455 -3.503
29 HD23 LEU 4 HD23 LEU 4 14.119 4.307 -4.471
30 H THR 5 H THR 5 10.971 8.072 -2.860
31 HA THR 5 HA THR 5 10.936 8.801 -5.706
32 HB THR 5 HB THR 5 9.946 11.044 -4.968
33 HG1 THR 5 HG1 THR 5 9.814 11.091 -2.831
34 HG21 THR 5 HG21 THR 5 8.018 8.769 -4.622
35 HG22 THR 5 HG22 THR 5 8.777 9.094 -6.181
36 HG23 THR 5 HG23 THR 5 7.768 10.322 -5.418
37 H ARG 6 H ARG 6 12.264 10.577 -6.271
38 HA ARG 6 HA ARG 6 14.628 10.796 -4.667
39 HB2 ARG 6 HB2 ARG 6 13.817 12.220 -7.208
40 HB3 ARG 6 HB3 ARG 6 15.411 12.313 -6.472
41 HG2 ARG 6 HG2 ARG 6 15.736 10.716 -8.086
42 HG3 ARG 6 HG3 ARG 6 15.357 9.719 -6.679
43 HD2 ARG 6 HD2 ARG 6 13.017 10.568 -8.223
44 HD3 ARG 6 HD3 ARG 6 14.137 9.540 -9.116
45 HE ARG 6 HE ARG 6 12.419 8.756 -6.965
46 HH11 ARG 6 HH11 ARG 6 15.425 8.068 -8.582
47 HH12 ARG 6 HH12 ARG 6 15.457 6.406 -8.094
48 HH21 ARG 6 HH21 ARG 6 12.450 6.569 -6.317
49 HH22 ARG 6 HH22 ARG 6 13.764 5.554 -6.807
50 H LEU 7 H LEU 7 11.698 12.260 -4.421
51 HA LEU 7 HA LEU 7 12.529 14.955 -3.885
52 HB2 LEU 7 HB2 LEU 7 10.205 14.021 -4.624
53 HB3 LEU 7 HB3 LEU 7 9.961 13.797 -2.893
54 HG LEU 7 HG LEU 7 10.585 16.310 -2.732
55 HD11 LEU 7 HD11 LEU 7 9.693 17.479 -4.838
56 HD12 LEU 7 HD12 LEU 7 10.035 15.955 -5.656
57 HD13 LEU 7 HD13 LEU 7 11.338 16.845 -4.868
58 HD21 LEU 7 HD21 LEU 7 8.031 16.521 -3.869
59 HD22 LEU 7 HD22 LEU 7 8.439 16.306 -2.166
60 HD23 LEU 7 HD23 LEU 7 8.127 14.899 -3.184
61 H GLY 8 H GLY 8 12.134 12.026 -2.047
62 HA2 GLY 8 HA2 GLY 8 13.584 13.052 0.161
63 HA3 GLY 8 HA3 GLY 8 11.867 13.027 0.535
64 H THR 9 H THR 9 10.786 10.856 -0.059
65 HA THR 9 HA THR 9 12.374 8.498 -0.010
66 HB THR 9 HB THR 9 12.637 9.319 2.363
67 HG1 THR 9 HG1 THR 9 12.966 7.153 2.032
68 HG21 THR 9 HG21 THR 9 10.865 9.418 3.840
69 HG22 THR 9 HG22 THR 9 9.854 8.353 2.863
70 HG23 THR 9 HG23 THR 9 10.114 10.024 2.365
71 H TYR 10 H TYR 10 10.613 6.744 1.227
72 HA TYR 10 HA TYR 10 8.757 6.220 -0.757
73 HB2 TYR 10 HB2 TYR 10 9.399 5.163 1.861
74 HB3 TYR 10 HB3 TYR 10 7.663 5.120 1.573
75 HD1 TYR 10 HD1 TYR 10 7.255 2.833 1.254
76 HD2 TYR 10 HD2 TYR 10 10.393 4.717 -0.916
77 HE1 TYR 10 HE1 TYR 10 7.528 0.800 -0.104
78 HE2 TYR 10 HE2 TYR 10 10.674 2.690 -2.280
79 HH TYR 10 HH TYR 10 8.518 -0.091 -1.906
80 H VAL 11 H VAL 11 7.091 7.413 -1.380
81 HA VAL 11 HA VAL 11 5.312 8.535 0.670
82 HB VAL 11 HB VAL 11 6.509 10.461 0.036
83 HG11 VAL 11 HG11 VAL 11 6.156 9.670 -2.854
84 HG12 VAL 11 HG12 VAL 11 7.016 11.087 -2.248
85 HG13 VAL 11 HG13 VAL 11 7.637 9.469 -1.918
86 HG21 VAL 11 HG21 VAL 11 4.091 10.440 -1.764
87 HG22 VAL 11 HG22 VAL 11 4.030 10.672 -0.017
88 HG23 VAL 11 HG23 VAL 11 4.864 11.847 -1.034
89 H CYS 12 H CYS 12 3.631 7.167 0.355
90 HA CYS 12 HA CYS 12 2.775 5.987 -1.981
91 HB2 CYS 12 HB2 CYS 12 1.509 6.653 0.613
92 HB3 CYS 12 HB3 CYS 12 0.409 6.306 -0.716
Start of MODEL 15
1 H1 ALA 1 H ALA 1 0.735 1.429 -0.234
2 HA ALA 1 HA ALA 1 2.726 -0.391 -1.068
3 HB1 ALA 1 HB1 ALA 1 2.435 -0.201 -3.510
4 HB2 ALA 1 HB2 ALA 1 1.113 -1.074 -2.733
5 HB3 ALA 1 HB3 ALA 1 0.886 0.599 -3.242
6 H CYS 2 H CYS 2 4.290 0.972 -0.409
7 HA CYS 2 HA CYS 2 4.237 3.756 -1.311
8 HB2 CYS 2 HB2 CYS 2 6.031 2.375 0.697
9 HB3 CYS 2 HB3 CYS 2 6.069 4.093 0.314
10 H PHE 3 H PHE 3 6.368 4.706 -1.973
11 HA PHE 3 HA PHE 3 8.232 2.867 -3.222
12 HB2 PHE 3 HB2 PHE 3 7.727 4.712 -5.275
13 HB3 PHE 3 HB3 PHE 3 7.337 2.995 -5.269
14 HD1 PHE 3 HD1 PHE 3 5.087 2.231 -4.762
15 HD2 PHE 3 HD2 PHE 3 6.039 6.378 -4.889
16 HE1 PHE 3 HE1 PHE 3 2.690 2.775 -4.863
17 HE2 PHE 3 HE2 PHE 3 3.643 6.928 -4.990
18 HZ PHE 3 HZ PHE 3 1.965 5.126 -4.976
19 H LEU 4 H LEU 4 10.256 3.679 -3.312
20 HA LEU 4 HA LEU 4 10.833 6.097 -1.944
21 HB2 LEU 4 HB2 LEU 4 12.497 4.532 -1.701
22 HB3 LEU 4 HB3 LEU 4 12.421 4.034 -3.390
23 HG LEU 4 HG LEU 4 13.545 6.166 -4.007
24 HD11 LEU 4 HD11 LEU 4 13.106 7.666 -2.295
25 HD12 LEU 4 HD12 LEU 4 14.792 7.233 -2.017
26 HD13 LEU 4 HD13 LEU 4 13.522 6.506 -1.033
27 HD21 LEU 4 HD21 LEU 4 15.771 5.497 -3.162
28 HD22 LEU 4 HD22 LEU 4 14.846 4.146 -3.818
29 HD23 LEU 4 HD23 LEU 4 14.984 4.356 -2.072
30 H THR 5 H THR 5 10.535 8.057 -2.756
31 HA THR 5 HA THR 5 10.828 8.473 -5.647
32 HB THR 5 HB THR 5 9.851 10.834 -4.794
33 HG1 THR 5 HG1 THR 5 8.778 10.659 -2.956
34 HG21 THR 5 HG21 THR 5 8.953 8.855 -6.360
35 HG22 THR 5 HG22 THR 5 7.951 10.227 -5.887
36 HG23 THR 5 HG23 THR 5 7.814 8.695 -5.024
37 H ARG 6 H ARG 6 11.808 10.544 -6.345
38 HA ARG 6 HA ARG 6 14.325 10.934 -4.976
39 HB2 ARG 6 HB2 ARG 6 13.560 12.610 -7.313
40 HB3 ARG 6 HB3 ARG 6 15.100 11.852 -6.930
41 HG2 ARG 6 HG2 ARG 6 12.651 10.530 -8.068
42 HG3 ARG 6 HG3 ARG 6 14.202 10.793 -8.867
43 HD2 ARG 6 HD2 ARG 6 14.905 8.825 -8.118
44 HD3 ARG 6 HD3 ARG 6 14.718 9.401 -6.462
45 HE ARG 6 HE ARG 6 12.724 8.245 -6.303
46 HH11 ARG 6 HH11 ARG 6 13.896 8.193 -9.580
47 HH12 ARG 6 HH12 ARG 6 12.776 6.977 -10.099
48 HH21 ARG 6 HH21 ARG 6 11.245 6.644 -6.974
49 HH22 ARG 6 HH22 ARG 6 11.268 6.097 -8.616
50 H LEU 7 H LEU 7 11.386 12.106 -4.379
51 HA LEU 7 HA LEU 7 12.049 14.911 -4.084
52 HB2 LEU 7 HB2 LEU 7 9.746 13.812 -4.658
53 HB3 LEU 7 HB3 LEU 7 9.611 13.651 -2.908
54 HG LEU 7 HG LEU 7 10.274 16.335 -3.991
55 HD11 LEU 7 HD11 LEU 7 7.961 16.843 -4.472
56 HD12 LEU 7 HD12 LEU 7 7.489 15.185 -4.099
57 HD13 LEU 7 HD13 LEU 7 8.507 15.518 -5.500
58 HD21 LEU 7 HD21 LEU 7 9.308 17.089 -2.051
59 HD22 LEU 7 HD22 LEU 7 9.919 15.520 -1.523
60 HD23 LEU 7 HD23 LEU 7 8.213 15.712 -1.930
61 H GLY 8 H GLY 8 11.877 12.034 -2.119
62 HA2 GLY 8 HA2 GLY 8 13.402 13.210 -0.035
63 HA3 GLY 8 HA3 GLY 8 11.710 13.116 0.433
64 H THR 9 H THR 9 10.704 10.885 0.013
65 HA THR 9 HA THR 9 12.456 8.621 0.103
66 HB THR 9 HB THR 9 10.956 8.387 2.534
67 HG1 THR 9 HG1 THR 9 12.406 10.078 3.593
68 HG21 THR 9 HG21 THR 9 13.491 8.372 3.354
69 HG22 THR 9 HG22 THR 9 13.775 8.196 1.622
70 HG23 THR 9 HG23 THR 9 12.780 7.018 2.476
71 H TYR 10 H TYR 10 10.866 6.740 1.258
72 HA TYR 10 HA TYR 10 9.093 6.001 -0.681
73 HB2 TYR 10 HB2 TYR 10 9.560 5.243 2.111
74 HB3 TYR 10 HB3 TYR 10 7.913 4.942 1.570
75 HD1 TYR 10 HD1 TYR 10 7.864 2.598 1.430
76 HD2 TYR 10 HD2 TYR 10 11.023 4.739 -0.450
77 HE1 TYR 10 HE1 TYR 10 8.603 0.527 0.328
78 HE2 TYR 10 HE2 TYR 10 11.770 2.675 -1.559
79 HH TYR 10 HH TYR 10 10.598 0.430 -2.253
80 H VAL 11 H VAL 11 7.205 6.726 -1.389
81 HA VAL 11 HA VAL 11 5.452 8.192 0.461
82 HB VAL 11 HB VAL 11 6.550 9.893 -0.852
83 HG11 VAL 11 HG11 VAL 11 6.535 9.941 -3.252
84 HG12 VAL 11 HG12 VAL 11 7.206 8.396 -2.727
85 HG13 VAL 11 HG13 VAL 11 5.546 8.483 -3.320
86 HG21 VAL 11 HG21 VAL 11 4.671 11.061 -1.567
87 HG22 VAL 11 HG22 VAL 11 3.863 9.604 -2.146
88 HG23 VAL 11 HG23 VAL 11 4.005 9.904 -0.414
89 H CYS 12 H CYS 12 3.343 7.670 0.342
90 HA CYS 12 HA CYS 12 2.383 6.170 -1.988
91 HB2 CYS 12 HB2 CYS 12 1.055 4.955 0.099
92 HB3 CYS 12 HB3 CYS 12 2.426 4.278 -0.774
Start of MODEL 16
1 H1 ALA 1 H ALA 1 0.293 1.386 -1.025
2 HA ALA 1 HA ALA 1 2.317 -0.066 -0.377
3 HB1 ALA 1 HB1 ALA 1 2.928 -1.545 -1.910
4 HB2 ALA 1 HB2 ALA 1 1.699 -0.931 -3.016
5 HB3 ALA 1 HB3 ALA 1 3.318 -0.230 -3.019
6 H CYS 2 H CYS 2 4.328 0.970 -0.300
7 HA CYS 2 HA CYS 2 4.260 3.746 -1.225
8 HB2 CYS 2 HB2 CYS 2 6.072 2.387 0.782
9 HB3 CYS 2 HB3 CYS 2 6.102 4.102 0.385
10 H PHE 3 H PHE 3 6.384 4.697 -1.909
11 HA PHE 3 HA PHE 3 8.246 2.854 -3.155
12 HB2 PHE 3 HB2 PHE 3 7.722 4.679 -5.220
13 HB3 PHE 3 HB3 PHE 3 7.337 2.961 -5.197
14 HD1 PHE 3 HD1 PHE 3 5.092 2.195 -4.670
15 HD2 PHE 3 HD2 PHE 3 6.031 6.343 -4.836
16 HE1 PHE 3 HE1 PHE 3 2.693 2.731 -4.760
17 HE2 PHE 3 HE2 PHE 3 3.633 6.886 -4.925
18 HZ PHE 3 HZ PHE 3 1.960 5.079 -4.887
19 H LEU 4 H LEU 4 10.267 3.671 -3.266
20 HA LEU 4 HA LEU 4 10.845 6.102 -1.921
21 HB2 LEU 4 HB2 LEU 4 12.517 4.545 -1.678
22 HB3 LEU 4 HB3 LEU 4 12.429 4.033 -3.362
23 HG LEU 4 HG LEU 4 13.541 6.164 -4.005
24 HD11 LEU 4 HD11 LEU 4 12.805 7.170 -1.678
25 HD12 LEU 4 HD12 LEU 4 14.260 7.723 -2.506
26 HD13 LEU 4 HD13 LEU 4 14.386 6.561 -1.185
27 HD21 LEU 4 HD21 LEU 4 15.777 5.512 -2.882
28 HD22 LEU 4 HD22 LEU 4 14.992 4.357 -3.959
29 HD23 LEU 4 HD23 LEU 4 14.859 4.164 -2.210
30 H THR 5 H THR 5 10.538 8.055 -2.745
31 HA THR 5 HA THR 5 10.807 8.450 -5.641
32 HB THR 5 HB THR 5 9.828 10.814 -4.800
33 HG1 THR 5 HG1 THR 5 9.699 10.165 -2.616
34 HG21 THR 5 HG21 THR 5 7.920 10.191 -5.872
35 HG22 THR 5 HG22 THR 5 7.796 8.666 -4.996
36 HG23 THR 5 HG23 THR 5 8.925 8.821 -6.343
37 H ARG 6 H ARG 6 11.775 10.520 -6.362
38 HA ARG 6 HA ARG 6 14.301 10.928 -5.015
39 HB2 ARG 6 HB2 ARG 6 13.512 12.584 -7.358
40 HB3 ARG 6 HB3 ARG 6 15.057 11.835 -6.981
41 HG2 ARG 6 HG2 ARG 6 12.604 10.496 -8.092
42 HG3 ARG 6 HG3 ARG 6 14.149 10.758 -8.903
43 HD2 ARG 6 HD2 ARG 6 14.864 8.799 -8.145
44 HD3 ARG 6 HD3 ARG 6 14.687 9.386 -6.492
45 HE ARG 6 HE ARG 6 12.697 8.225 -6.310
46 HH11 ARG 6 HH11 ARG 6 13.848 8.150 -9.595
47 HH12 ARG 6 HH12 ARG 6 12.730 6.926 -10.096
48 HH21 ARG 6 HH21 ARG 6 11.220 6.613 -6.958
49 HH22 ARG 6 HH22 ARG 6 11.235 6.052 -8.596
50 H LEU 7 H LEU 7 11.361 12.094 -4.405
51 HA LEU 7 HA LEU 7 12.017 14.904 -4.134
52 HB2 LEU 7 HB2 LEU 7 9.586 13.510 -3.051
53 HB3 LEU 7 HB3 LEU 7 9.779 15.218 -3.439
54 HG LEU 7 HG LEU 7 9.663 12.966 -5.444
55 HD11 LEU 7 HD11 LEU 7 7.625 14.878 -4.386
56 HD12 LEU 7 HD12 LEU 7 7.487 13.147 -4.691
57 HD13 LEU 7 HD13 LEU 7 7.511 14.281 -6.042
58 HD21 LEU 7 HD21 LEU 7 9.381 14.919 -7.034
59 HD22 LEU 7 HD22 LEU 7 10.998 14.673 -6.374
60 HD23 LEU 7 HD23 LEU 7 9.962 15.945 -5.723
61 H GLY 8 H GLY 8 11.878 12.039 -2.150
62 HA2 GLY 8 HA2 GLY 8 13.413 13.235 -0.086
63 HA3 GLY 8 HA3 GLY 8 11.725 13.142 0.397
64 H THR 9 H THR 9 10.720 10.905 0.000
65 HA THR 9 HA THR 9 12.478 8.646 0.094
66 HB THR 9 HB THR 9 10.994 8.426 2.538
67 HG1 THR 9 HG1 THR 9 11.158 10.445 3.181
68 HG21 THR 9 HG21 THR 9 13.805 8.229 1.604
69 HG22 THR 9 HG22 THR 9 12.820 7.061 2.485
70 HG23 THR 9 HG23 THR 9 13.539 8.427 3.336
71 H TYR 10 H TYR 10 10.900 6.770 1.275
72 HA TYR 10 HA TYR 10 9.116 6.011 -0.647
73 HB2 TYR 10 HB2 TYR 10 9.602 5.277 2.148
74 HB3 TYR 10 HB3 TYR 10 7.953 4.967 1.619
75 HD1 TYR 10 HD1 TYR 10 7.910 2.622 1.498
76 HD2 TYR 10 HD2 TYR 10 11.052 4.758 -0.418
77 HE1 TYR 10 HE1 TYR 10 8.648 0.545 0.408
78 HE2 TYR 10 HE2 TYR 10 11.798 2.687 -1.514
79 HH TYR 10 HH TYR 10 9.950 -0.287 -1.280
80 H VAL 11 H VAL 11 7.217 6.718 -1.345
81 HA VAL 11 HA VAL 11 5.474 8.197 0.504
82 HB VAL 11 HB VAL 11 6.559 9.891 -0.829
83 HG11 VAL 11 HG11 VAL 11 5.566 8.411 -3.262
84 HG12 VAL 11 HG12 VAL 11 6.479 9.922 -3.248
85 HG13 VAL 11 HG13 VAL 11 7.235 8.427 -2.695
86 HG21 VAL 11 HG21 VAL 11 3.866 9.585 -2.105
87 HG22 VAL 11 HG22 VAL 11 4.015 9.896 -0.375
88 HG23 VAL 11 HG23 VAL 11 4.671 11.049 -1.538
89 H CYS 12 H CYS 12 3.365 7.671 0.402
90 HA CYS 12 HA CYS 12 2.394 6.150 -1.911
91 HB2 CYS 12 HB2 CYS 12 1.083 4.947 0.193
92 HB3 CYS 12 HB3 CYS 12 2.450 4.267 -0.682
Start of MODEL 17
1 H1 ALA 1 H ALA 1 0.485 -0.271 -0.241
2 HA ALA 1 HA ALA 1 2.732 -0.399 -1.113
3 HB1 ALA 1 HB1 ALA 1 0.554 0.343 -2.992
4 HB2 ALA 1 HB2 ALA 1 2.202 0.266 -3.617
5 HB3 ALA 1 HB3 ALA 1 1.479 -1.154 -2.862
6 H CYS 2 H CYS 2 4.286 0.974 -0.413
7 HA CYS 2 HA CYS 2 4.235 3.759 -1.314
8 HB2 CYS 2 HB2 CYS 2 6.028 2.375 0.693
9 HB3 CYS 2 HB3 CYS 2 6.066 4.094 0.311
10 H PHE 3 H PHE 3 6.367 4.707 -1.975
11 HA PHE 3 HA PHE 3 8.231 2.868 -3.225
12 HB2 PHE 3 HB2 PHE 3 7.727 4.712 -5.277
13 HB3 PHE 3 HB3 PHE 3 7.336 2.996 -5.271
14 HD1 PHE 3 HD1 PHE 3 5.085 2.234 -4.765
15 HD2 PHE 3 HD2 PHE 3 6.040 6.380 -4.891
16 HE1 PHE 3 HE1 PHE 3 2.688 2.780 -4.867
17 HE2 PHE 3 HE2 PHE 3 3.645 6.932 -4.992
18 HZ PHE 3 HZ PHE 3 1.965 5.131 -4.980
19 H LEU 4 H LEU 4 10.255 3.678 -3.313
20 HA LEU 4 HA LEU 4 10.832 6.097 -1.945
21 HB2 LEU 4 HB2 LEU 4 12.495 4.530 -1.701
22 HB3 LEU 4 HB3 LEU 4 12.420 4.033 -3.390
23 HG LEU 4 HG LEU 4 13.545 6.166 -4.005
24 HD11 LEU 4 HD11 LEU 4 13.575 7.803 -2.506
25 HD12 LEU 4 HD12 LEU 4 14.779 6.875 -1.613
26 HD13 LEU 4 HD13 LEU 4 13.069 6.714 -1.214
27 HD21 LEU 4 HD21 LEU 4 14.774 4.043 -3.706
28 HD22 LEU 4 HD22 LEU 4 15.072 4.482 -2.023
29 HD23 LEU 4 HD23 LEU 4 15.750 5.462 -3.324
30 H THR 5 H THR 5 10.538 8.057 -2.757
31 HA THR 5 HA THR 5 10.833 8.472 -5.648
32 HB THR 5 HB THR 5 9.853 10.832 -4.798
33 HG1 THR 5 HG1 THR 5 9.083 10.661 -2.844
34 HG21 THR 5 HG21 THR 5 7.821 8.686 -5.032
35 HG22 THR 5 HG22 THR 5 8.959 8.860 -6.368
36 HG23 THR 5 HG23 THR 5 7.950 10.223 -5.887
37 H ARG 6 H ARG 6 11.813 10.545 -6.344
38 HA ARG 6 HA ARG 6 14.328 10.935 -4.973
39 HB2 ARG 6 HB2 ARG 6 13.564 12.612 -7.310
40 HB3 ARG 6 HB3 ARG 6 15.104 11.856 -6.925
41 HG2 ARG 6 HG2 ARG 6 12.657 10.532 -8.067
42 HG3 ARG 6 HG3 ARG 6 14.210 10.796 -8.863
43 HD2 ARG 6 HD2 ARG 6 14.913 8.829 -8.114
44 HD3 ARG 6 HD3 ARG 6 14.724 9.404 -6.458
45 HE ARG 6 HE ARG 6 12.730 8.248 -6.302
46 HH11 ARG 6 HH11 ARG 6 13.908 8.194 -9.577
47 HH12 ARG 6 HH12 ARG 6 12.791 6.976 -10.097
48 HH21 ARG 6 HH21 ARG 6 11.254 6.644 -6.974
49 HH22 ARG 6 HH22 ARG 6 11.282 6.096 -8.616
50 H LEU 7 H LEU 7 11.386 12.106 -4.380
51 HA LEU 7 HA LEU 7 12.047 14.911 -4.081
52 HB2 LEU 7 HB2 LEU 7 9.603 13.514 -3.029
53 HB3 LEU 7 HB3 LEU 7 9.804 15.225 -3.401
54 HG LEU 7 HG LEU 7 9.842 13.066 -5.501
55 HD11 LEU 7 HD11 LEU 7 7.688 13.055 -4.323
56 HD12 LEU 7 HD12 LEU 7 7.536 13.638 -5.980
57 HD13 LEU 7 HD13 LEU 7 7.518 14.783 -4.638
58 HD21 LEU 7 HD21 LEU 7 8.962 15.725 -6.244
59 HD22 LEU 7 HD22 LEU 7 10.209 14.705 -6.963
60 HD23 LEU 7 HD23 LEU 7 10.596 15.729 -5.579
61 H GLY 8 H GLY 8 11.877 12.032 -2.118
62 HA2 GLY 8 HA2 GLY 8 13.400 13.208 -0.032
63 HA3 GLY 8 HA3 GLY 8 11.708 13.114 0.435
64 H THR 9 H THR 9 10.702 10.883 0.012
65 HA THR 9 HA THR 9 12.454 8.619 0.101
66 HB THR 9 HB THR 9 10.954 8.385 2.533
67 HG1 THR 9 HG1 THR 9 11.139 10.679 2.617
68 HG21 THR 9 HG21 THR 9 12.777 7.014 2.476
69 HG22 THR 9 HG22 THR 9 13.490 8.369 3.351
70 HG23 THR 9 HG23 THR 9 13.772 8.191 1.619
71 H TYR 10 H TYR 10 10.864 6.738 1.257
72 HA TYR 10 HA TYR 10 9.091 5.999 -0.682
73 HB2 TYR 10 HB2 TYR 10 9.559 5.241 2.109
74 HB3 TYR 10 HB3 TYR 10 7.911 4.940 1.569
75 HD1 TYR 10 HD1 TYR 10 7.860 2.597 1.428
76 HD2 TYR 10 HD2 TYR 10 11.021 4.737 -0.452
77 HE1 TYR 10 HE1 TYR 10 8.599 0.526 0.325
78 HE2 TYR 10 HE2 TYR 10 11.767 2.673 -1.561
79 HH TYR 10 HH TYR 10 9.878 -0.200 -1.561
80 H VAL 11 H VAL 11 7.205 6.729 -1.392
81 HA VAL 11 HA VAL 11 5.452 8.193 0.460
82 HB VAL 11 HB VAL 11 6.551 9.894 -0.852
83 HG11 VAL 11 HG11 VAL 11 5.568 8.441 -3.305
84 HG12 VAL 11 HG12 VAL 11 6.491 9.945 -3.269
85 HG13 VAL 11 HG13 VAL 11 7.233 8.439 -2.726
86 HG21 VAL 11 HG21 VAL 11 4.672 11.062 -1.569
87 HG22 VAL 11 HG22 VAL 11 3.863 9.605 -2.146
88 HG23 VAL 11 HG23 VAL 11 4.006 9.907 -0.415
89 H CYS 12 H CYS 12 3.342 7.674 0.339
90 HA CYS 12 HA CYS 12 2.382 6.175 -1.992
91 HB2 CYS 12 HB2 CYS 12 1.053 4.959 0.094
92 HB3 CYS 12 HB3 CYS 12 2.423 4.281 -0.779
Start of MODEL 18
1 H1 ALA 1 H ALA 1 0.657 -0.103 0.026
2 HA ALA 1 HA ALA 1 2.704 -0.368 -0.971
3 HB1 ALA 1 HB1 ALA 1 2.107 -1.184 -2.944
4 HB2 ALA 1 HB2 ALA 1 0.633 -0.216 -2.929
5 HB3 ALA 1 HB3 ALA 1 2.119 0.451 -3.604
6 H CYS 2 H CYS 2 4.296 0.970 -0.396
7 HA CYS 2 HA CYS 2 4.241 3.753 -1.302
8 HB2 CYS 2 HB2 CYS 2 6.037 2.375 0.706
9 HB3 CYS 2 HB3 CYS 2 6.074 4.092 0.321
10 H PHE 3 H PHE 3 6.372 4.703 -1.966
11 HA PHE 3 HA PHE 3 8.237 2.864 -3.214
12 HB2 PHE 3 HB2 PHE 3 7.730 4.705 -5.269
13 HB3 PHE 3 HB3 PHE 3 7.340 2.988 -5.261
14 HD1 PHE 3 HD1 PHE 3 6.042 6.371 -4.881
15 HD2 PHE 3 HD2 PHE 3 5.090 2.225 -4.754
16 HE1 PHE 3 HE1 PHE 3 3.646 6.922 -4.981
17 HE2 PHE 3 HE2 PHE 3 2.693 2.768 -4.854
18 HZ PHE 3 HZ PHE 3 1.968 5.119 -4.969
19 H LEU 4 H LEU 4 10.260 3.677 -3.307
20 HA LEU 4 HA LEU 4 10.836 6.098 -1.941
21 HB2 LEU 4 HB2 LEU 4 12.502 4.534 -1.699
22 HB3 LEU 4 HB3 LEU 4 12.424 4.035 -3.388
23 HG LEU 4 HG LEU 4 13.545 6.169 -4.008
24 HD11 LEU 4 HD11 LEU 4 13.962 6.462 -1.037
25 HD12 LEU 4 HD12 LEU 4 12.865 7.443 -2.008
26 HD13 LEU 4 HD13 LEU 4 14.602 7.509 -2.304
27 HD21 LEU 4 HD21 LEU 4 14.951 4.299 -3.936
28 HD22 LEU 4 HD22 LEU 4 14.881 4.201 -2.176
29 HD23 LEU 4 HD23 LEU 4 15.778 5.507 -2.952
30 H THR 5 H THR 5 10.539 8.057 -2.754
31 HA THR 5 HA THR 5 10.828 8.471 -5.646
32 HB THR 5 HB THR 5 9.847 10.831 -4.796
33 HG1 THR 5 HG1 THR 5 9.782 9.900 -2.593
34 HG21 THR 5 HG21 THR 5 7.944 10.218 -5.884
35 HG22 THR 5 HG22 THR 5 7.814 8.686 -5.020
36 HG23 THR 5 HG23 THR 5 8.951 8.851 -6.358
37 H ARG 6 H ARG 6 11.806 10.542 -6.346
38 HA ARG 6 HA ARG 6 14.322 10.937 -4.979
39 HB2 ARG 6 HB2 ARG 6 13.551 12.611 -7.316
40 HB3 ARG 6 HB3 ARG 6 15.094 11.858 -6.933
41 HG2 ARG 6 HG2 ARG 6 12.647 10.530 -8.070
42 HG3 ARG 6 HG3 ARG 6 14.198 10.795 -8.869
43 HD2 ARG 6 HD2 ARG 6 14.904 8.830 -8.119
44 HD3 ARG 6 HD3 ARG 6 14.717 9.406 -6.464
45 HE ARG 6 HE ARG 6 12.724 8.248 -6.304
46 HH11 ARG 6 HH11 ARG 6 13.899 8.191 -9.580
47 HH12 ARG 6 HH12 ARG 6 12.783 6.971 -10.097
48 HH21 ARG 6 HH21 ARG 6 11.249 6.641 -6.973
49 HH22 ARG 6 HH22 ARG 6 11.275 6.091 -8.614
50 H LEU 7 H LEU 7 11.379 12.106 -4.385
51 HA LEU 7 HA LEU 7 12.038 14.912 -4.088
52 HB2 LEU 7 HB2 LEU 7 9.598 13.513 -3.031
53 HB3 LEU 7 HB3 LEU 7 9.796 15.224 -3.403
54 HG LEU 7 HG LEU 7 9.697 12.992 -5.432
55 HD11 LEU 7 HD11 LEU 7 7.636 14.678 -4.182
56 HD12 LEU 7 HD12 LEU 7 7.502 13.098 -4.953
57 HD13 LEU 7 HD13 LEU 7 7.561 14.558 -5.940
58 HD21 LEU 7 HD21 LEU 7 9.865 15.987 -5.726
59 HD22 LEU 7 HD22 LEU 7 9.491 14.874 -7.043
60 HD23 LEU 7 HD23 LEU 7 11.059 14.795 -6.239
61 H GLY 8 H GLY 8 11.881 12.034 -2.124
62 HA2 GLY 8 HA2 GLY 8 13.405 13.213 -0.042
63 HA3 GLY 8 HA3 GLY 8 11.714 13.119 0.429
64 H THR 9 H THR 9 10.708 10.887 0.011
65 HA THR 9 HA THR 9 12.461 8.624 0.100
66 HB THR 9 HB THR 9 10.962 8.391 2.533
67 HG1 THR 9 HG1 THR 9 11.339 10.798 2.347
68 HG21 THR 9 HG21 THR 9 13.499 8.377 3.350
69 HG22 THR 9 HG22 THR 9 13.780 8.198 1.618
70 HG23 THR 9 HG23 THR 9 12.786 7.022 2.477
71 H TYR 10 H TYR 10 10.872 6.744 1.260
72 HA TYR 10 HA TYR 10 9.098 6.002 -0.678
73 HB2 TYR 10 HB2 TYR 10 9.568 5.247 2.114
74 HB3 TYR 10 HB3 TYR 10 7.920 4.943 1.575
75 HD1 TYR 10 HD1 TYR 10 7.871 2.600 1.435
76 HD2 TYR 10 HD2 TYR 10 11.030 4.742 -0.447
77 HE1 TYR 10 HE1 TYR 10 8.611 0.529 0.334
78 HE2 TYR 10 HE2 TYR 10 11.777 2.677 -1.554
79 HH TYR 10 HH TYR 10 11.459 0.495 -1.792
80 H VAL 11 H VAL 11 7.206 6.722 -1.384
81 HA VAL 11 HA VAL 11 5.455 8.188 0.467
82 HB VAL 11 HB VAL 11 6.551 9.890 -0.846
83 HG11 VAL 11 HG11 VAL 11 5.558 8.455 -3.305
84 HG12 VAL 11 HG12 VAL 11 6.511 9.940 -3.256
85 HG13 VAL 11 HG13 VAL 11 7.221 8.416 -2.720
86 HG21 VAL 11 HG21 VAL 11 4.007 9.898 -0.407
87 HG22 VAL 11 HG22 VAL 11 4.670 11.058 -1.558
88 HG23 VAL 11 HG23 VAL 11 3.865 9.601 -2.139
89 H CYS 12 H CYS 12 3.345 7.668 0.347
90 HA CYS 12 HA CYS 12 2.385 6.166 -1.982
91 HB2 CYS 12 HB2 CYS 12 1.058 4.951 0.104
92 HB3 CYS 12 HB3 CYS 12 2.430 4.274 -0.768
Start of MODEL 19
1 H1 ALA 1 H ALA 1 2.851 0.042 -2.863
2 HA ALA 1 HA ALA 1 1.939 0.272 -0.159
3 HB1 ALA 1 HB1 ALA 1 2.404 -2.027 0.046
4 HB2 ALA 1 HB2 ALA 1 3.907 -1.887 -0.867
5 HB3 ALA 1 HB3 ALA 1 3.793 -1.201 0.754
6 H CYS 2 H CYS 2 2.610 2.396 -1.278
7 HA CYS 2 HA CYS 2 3.991 4.202 -1.299
8 HB2 CYS 2 HB2 CYS 2 5.628 2.572 0.655
9 HB3 CYS 2 HB3 CYS 2 5.792 4.301 0.368
10 H PHE 3 H PHE 3 6.158 4.965 -1.974
11 HA PHE 3 HA PHE 3 7.904 3.005 -3.201
12 HB2 PHE 3 HB2 PHE 3 7.507 4.860 -5.276
13 HB3 PHE 3 HB3 PHE 3 7.047 3.161 -5.260
14 HD1 PHE 3 HD1 PHE 3 5.885 6.598 -4.878
15 HD2 PHE 3 HD2 PHE 3 4.765 2.492 -4.799
16 HE1 PHE 3 HE1 PHE 3 3.515 7.246 -5.000
17 HE2 PHE 3 HE2 PHE 3 2.393 3.134 -4.921
18 HZ PHE 3 HZ PHE 3 1.765 5.513 -5.023
19 H LEU 4 H LEU 4 9.972 3.687 -3.258
20 HA LEU 4 HA LEU 4 10.694 6.071 -1.919
21 HB2 LEU 4 HB2 LEU 4 12.275 4.421 -1.693
22 HB3 LEU 4 HB3 LEU 4 12.150 3.923 -3.378
23 HG LEU 4 HG LEU 4 13.385 5.985 -4.019
24 HD11 LEU 4 HD11 LEU 4 12.812 6.758 -1.400
25 HD12 LEU 4 HD12 LEU 4 13.819 7.608 -2.571
26 HD13 LEU 4 HD13 LEU 4 14.553 6.476 -1.435
27 HD21 LEU 4 HD21 LEU 4 14.818 4.214 -4.031
28 HD22 LEU 4 HD22 LEU 4 14.514 3.811 -2.341
29 HD23 LEU 4 HD23 LEU 4 15.563 5.169 -2.750
30 H THR 5 H THR 5 10.398 8.030 -2.748
31 HA THR 5 HA THR 5 10.729 8.444 -5.630
32 HB THR 5 HB THR 5 9.872 10.848 -4.764
33 HG1 THR 5 HG1 THR 5 8.584 10.651 -3.003
34 HG21 THR 5 HG21 THR 5 7.723 8.825 -4.987
35 HG22 THR 5 HG22 THR 5 8.870 8.906 -6.324
36 HG23 THR 5 HG23 THR 5 7.951 10.339 -5.862
37 H ARG 6 H ARG 6 11.805 10.464 -6.333
38 HA ARG 6 HA ARG 6 14.345 10.732 -4.978
39 HB2 ARG 6 HB2 ARG 6 13.649 12.442 -7.312
40 HB3 ARG 6 HB3 ARG 6 15.153 11.612 -6.936
41 HG2 ARG 6 HG2 ARG 6 12.637 10.408 -8.061
42 HG3 ARG 6 HG3 ARG 6 14.196 10.596 -8.867
43 HD2 ARG 6 HD2 ARG 6 14.806 8.597 -8.121
44 HD3 ARG 6 HD3 ARG 6 14.658 9.183 -6.465
45 HE ARG 6 HE ARG 6 12.611 8.126 -6.291
46 HH11 ARG 6 HH11 ARG 6 13.761 8.009 -9.575
47 HH12 ARG 6 HH12 ARG 6 12.583 6.846 -10.084
48 HH21 ARG 6 HH21 ARG 6 11.053 6.595 -6.950
49 HH22 ARG 6 HH22 ARG 6 11.042 6.043 -8.591
50 H LEU 7 H LEU 7 11.466 12.046 -4.370
51 HA LEU 7 HA LEU 7 12.271 14.815 -4.074
52 HB2 LEU 7 HB2 LEU 7 9.758 13.543 -3.028
53 HB3 LEU 7 HB3 LEU 7 10.047 15.244 -3.388
54 HG LEU 7 HG LEU 7 9.750 13.006 -5.390
55 HD11 LEU 7 HD11 LEU 7 7.986 15.305 -4.585
56 HD12 LEU 7 HD12 LEU 7 7.625 13.581 -4.511
57 HD13 LEU 7 HD13 LEU 7 7.766 14.386 -6.074
58 HD21 LEU 7 HD21 LEU 7 11.322 14.501 -6.317
59 HD22 LEU 7 HD22 LEU 7 10.449 15.913 -5.720
60 HD23 LEU 7 HD23 LEU 7 9.767 14.940 -7.025
61 H GLY 8 H GLY 8 11.997 11.943 -2.127
62 HA2 GLY 8 HA2 GLY 8 13.561 13.041 -0.036
63 HA3 GLY 8 HA3 GLY 8 11.868 13.028 0.433
64 H THR 9 H THR 9 10.756 10.847 -0.002
65 HA THR 9 HA THR 9 12.395 8.502 0.083
66 HB THR 9 HB THR 9 10.890 8.333 2.518
67 HG1 THR 9 HG1 THR 9 11.113 10.426 3.011
68 HG21 THR 9 HG21 THR 9 13.412 8.180 3.341
69 HG22 THR 9 HG22 THR 9 13.704 8.023 1.608
70 HG23 THR 9 HG23 THR 9 12.649 6.876 2.433
71 H TYR 10 H TYR 10 10.720 6.694 1.233
72 HA TYR 10 HA TYR 10 8.908 6.050 -0.703
73 HB2 TYR 10 HB2 TYR 10 9.341 5.262 2.088
74 HB3 TYR 10 HB3 TYR 10 7.683 5.035 1.542
75 HD1 TYR 10 HD1 TYR 10 7.491 2.713 1.338
76 HD2 TYR 10 HD2 TYR 10 10.827 4.687 -0.417
77 HE1 TYR 10 HE1 TYR 10 8.141 0.616 0.229
78 HE2 TYR 10 HE2 TYR 10 11.485 2.596 -1.532
79 HH TYR 10 HH TYR 10 11.082 0.418 -1.747
80 H VAL 11 H VAL 11 7.017 6.810 -1.378
81 HA VAL 11 HA VAL 11 5.348 8.359 0.477
82 HB VAL 11 HB VAL 11 6.521 10.029 -0.807
83 HG11 VAL 11 HG11 VAL 11 7.102 8.503 -2.701
84 HG12 VAL 11 HG12 VAL 11 5.462 8.730 -3.311
85 HG13 VAL 11 HG13 VAL 11 6.559 10.107 -3.193
86 HG21 VAL 11 HG21 VAL 11 4.698 11.286 -1.515
87 HG22 VAL 11 HG22 VAL 11 3.833 9.874 -2.121
88 HG23 VAL 11 HG23 VAL 11 3.976 10.142 -0.384
89 H CYS 12 H CYS 12 3.210 7.960 0.331
90 HA CYS 12 HA CYS 12 2.196 6.520 -2.015
91 HB2 CYS 12 HB2 CYS 12 0.791 5.353 0.043
92 HB3 CYS 12 HB3 CYS 12 2.148 4.621 -0.808
Start of MODEL 20
1 H1 ALA 1 H ALA 1 2.353 -1.873 -1.179
2 HA ALA 1 HA ALA 1 2.125 0.263 -2.080
3 HB1 ALA 1 HB1 ALA 1 1.571 0.555 0.867
4 HB2 ALA 1 HB2 ALA 1 1.112 1.744 -0.352
5 HB3 ALA 1 HB3 ALA 1 0.424 0.121 -0.401
6 H CYS 2 H CYS 2 2.543 2.735 -1.465
7 HA CYS 2 HA CYS 2 4.071 4.412 -1.302
8 HB2 CYS 2 HB2 CYS 2 5.536 2.534 0.564
9 HB3 CYS 2 HB3 CYS 2 5.782 4.273 0.430
10 H PHE 3 H PHE 3 6.156 5.082 -2.066
11 HA PHE 3 HA PHE 3 7.891 3.072 -3.236
12 HB2 PHE 3 HB2 PHE 3 7.521 4.933 -5.327
13 HB3 PHE 3 HB3 PHE 3 7.087 3.227 -5.316
14 HD1 PHE 3 HD1 PHE 3 4.809 2.525 -4.839
15 HD2 PHE 3 HD2 PHE 3 5.869 6.645 -4.992
16 HE1 PHE 3 HE1 PHE 3 2.428 3.129 -4.990
17 HE2 PHE 3 HE2 PHE 3 3.491 7.255 -5.141
18 HZ PHE 3 HZ PHE 3 1.766 5.496 -5.140
19 H LEU 4 H LEU 4 9.967 3.710 -3.240
20 HA LEU 4 HA LEU 4 10.727 6.089 -1.931
21 HB2 LEU 4 HB2 LEU 4 12.282 4.417 -1.700
22 HB3 LEU 4 HB3 LEU 4 12.150 3.917 -3.385
23 HG LEU 4 HG LEU 4 13.419 5.955 -4.030
24 HD11 LEU 4 HD11 LEU 4 12.997 7.434 -2.231
25 HD12 LEU 4 HD12 LEU 4 14.717 7.051 -2.172
26 HD13 LEU 4 HD13 LEU 4 13.603 6.278 -1.045
27 HD21 LEU 4 HD21 LEU 4 14.807 4.140 -4.025
28 HD22 LEU 4 HD22 LEU 4 14.525 3.787 -2.320
29 HD23 LEU 4 HD23 LEU 4 15.587 5.118 -2.782
30 H THR 5 H THR 5 10.452 8.050 -2.765
31 HA THR 5 HA THR 5 10.829 8.455 -5.646
32 HB THR 5 HB THR 5 9.935 10.852 -4.834
33 HG1 THR 5 HG1 THR 5 8.767 8.990 -3.015
34 HG21 THR 5 HG21 THR 5 8.017 10.303 -5.924
35 HG22 THR 5 HG22 THR 5 7.806 8.802 -5.022
36 HG23 THR 5 HG23 THR 5 8.957 8.875 -6.357
37 H ARG 6 H ARG 6 11.899 10.495 -6.320
38 HA ARG 6 HA ARG 6 14.417 10.765 -4.928
39 HB2 ARG 6 HB2 ARG 6 13.738 12.501 -7.248
40 HB3 ARG 6 HB3 ARG 6 15.244 11.678 -6.863
41 HG2 ARG 6 HG2 ARG 6 12.753 10.470 -8.038
42 HG3 ARG 6 HG3 ARG 6 14.322 10.678 -8.818
43 HD2 ARG 6 HD2 ARG 6 14.934 8.674 -8.088
44 HD3 ARG 6 HD3 ARG 6 14.758 9.238 -6.427
45 HE ARG 6 HE ARG 6 12.714 8.168 -6.296
46 HH11 ARG 6 HH11 ARG 6 13.915 8.095 -9.563
47 HH12 ARG 6 HH12 ARG 6 12.752 6.931 -10.104
48 HH21 ARG 6 HH21 ARG 6 11.177 6.635 -6.996
49 HH22 ARG 6 HH22 ARG 6 11.194 6.102 -8.643
50 H LEU 7 H LEU 7 11.517 12.061 -4.354
51 HA LEU 7 HA LEU 7 12.305 14.827 -4.004
52 HB2 LEU 7 HB2 LEU 7 9.783 13.534 -3.007
53 HB3 LEU 7 HB3 LEU 7 10.070 15.238 -3.353
54 HG LEU 7 HG LEU 7 9.988 13.079 -5.457
55 HD11 LEU 7 HD11 LEU 7 7.790 14.809 -5.696
56 HD12 LEU 7 HD12 LEU 7 7.847 14.309 -4.006
57 HD13 LEU 7 HD13 LEU 7 7.779 13.094 -5.283
58 HD21 LEU 7 HD21 LEU 7 9.678 15.047 -6.956
59 HD22 LEU 7 HD22 LEU 7 11.259 14.975 -6.177
60 HD23 LEU 7 HD23 LEU 7 10.030 16.090 -5.578
61 H GLY 8 H GLY 8 12.029 11.927 -2.103
62 HA2 GLY 8 HA2 GLY 8 13.557 12.996 0.023
63 HA3 GLY 8 HA3 GLY 8 11.857 12.987 0.470
64 H THR 9 H THR 9 10.738 10.821 0.017
65 HA THR 9 HA THR 9 12.368 8.465 0.097
66 HB THR 9 HB THR 9 10.821 8.273 2.500
67 HG1 THR 9 HG1 THR 9 11.026 10.388 2.969
68 HG21 THR 9 HG21 THR 9 12.587 6.820 2.428
69 HG22 THR 9 HG22 THR 9 13.323 8.115 3.372
70 HG23 THR 9 HG23 THR 9 13.654 7.985 1.645
71 H TYR 10 H TYR 10 10.668 6.652 1.194
72 HA TYR 10 HA TYR 10 8.891 6.030 -0.778
73 HB2 TYR 10 HB2 TYR 10 9.253 5.228 2.021
74 HB3 TYR 10 HB3 TYR 10 7.613 5.001 1.424
75 HD1 TYR 10 HD1 TYR 10 10.823 4.667 -0.429
76 HD2 TYR 10 HD2 TYR 10 7.424 2.684 1.189
77 HE1 TYR 10 HE1 TYR 10 11.521 2.582 -1.533
78 HE2 TYR 10 HE2 TYR 10 8.113 0.594 0.090
79 HH TYR 10 HH TYR 10 10.481 0.478 -2.317
80 H VAL 11 H VAL 11 6.970 6.734 -1.456
81 HA VAL 11 HA VAL 11 5.305 8.327 0.362
82 HB VAL 11 HB VAL 11 6.508 9.956 -0.972
83 HG11 VAL 11 HG11 VAL 11 5.318 8.776 -3.463
84 HG12 VAL 11 HG12 VAL 11 6.610 9.969 -3.313
85 HG13 VAL 11 HG13 VAL 11 6.905 8.287 -2.868
86 HG21 VAL 11 HG21 VAL 11 4.693 11.243 -1.609
87 HG22 VAL 11 HG22 VAL 11 3.795 9.857 -2.230
88 HG23 VAL 11 HG23 VAL 11 3.959 10.093 -0.490
89 H CYS 12 H CYS 12 3.163 7.937 0.210
90 HA CYS 12 HA CYS 12 2.143 6.478 -2.116
91 HB2 CYS 12 HB2 CYS 12 0.766 5.263 -0.089
92 HB3 CYS 12 HB3 CYS 12 2.168 4.575 -0.903