Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
569561 | 2m3i RC | 18964 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -4.886 8.470 -1.632
2 H2 GLY 1 H2 GLY 1 -4.645 7.023 -0.763
3 H3 GLY 1 H3 GLY 1 -5.919 7.153 -1.839
4 HA2 GLY 1 HA2 GLY 1 -4.473 7.269 -3.711
5 HA3 GLY 1 HA3 GLY 1 -3.080 7.228 -2.635
6 H CYS 2 H CYS 2 -2.609 5.271 -4.054
7 HA CYS 2 HA CYS 2 -4.230 2.928 -3.855
8 HB2 CYS 2 HB2 CYS 2 -2.211 3.601 -5.476
9 HB3 CYS 2 HB3 CYS 2 -1.271 2.844 -4.203
10 H CYS 3 H CYS 3 -1.436 4.262 -2.175
11 HA CYS 3 HA CYS 3 -0.880 2.120 -0.468
12 HB2 CYS 3 HB2 CYS 3 -0.334 5.045 -0.162
13 HB3 CYS 3 HB3 CYS 3 0.412 3.738 0.755
14 H SER 4 H SER 4 -3.493 3.940 -0.488
15 HA SER 4 HA SER 4 -4.042 3.942 2.398
16 HB2 SER 4 HB2 SER 4 -5.839 4.877 0.150
17 HB3 SER 4 HB3 SER 4 -5.940 5.305 1.860
18 HG SER 4 HG SER 4 -3.972 6.360 1.659
19 H HIS 5 H HIS 5 -4.038 1.663 0.098
20 HA HIS 5 HA HIS 5 -6.462 0.393 1.063
21 HB2 HIS 5 HB2 HIS 5 -6.911 1.365 -1.161
22 HB3 HIS 5 HB3 HIS 5 -5.545 0.485 -1.825
23 HD1 HIS 5 HD1 HIS 5 -8.913 -0.271 -0.190
24 HD2 HIS 5 HD2 HIS 5 -6.179 -1.884 -2.850
25 HE1 HIS 5 HE1 HIS 5 -9.966 -2.398 -1.046
26 HA PRO 6 HA PRO 6 -3.998 -2.781 2.766
27 HB2 PRO 6 HB2 PRO 6 -5.895 -4.386 1.105
28 HB3 PRO 6 HB3 PRO 6 -5.291 -4.707 2.737
29 HG2 PRO 6 HG2 PRO 6 -7.664 -3.499 2.318
30 HG3 PRO 6 HG3 PRO 6 -6.633 -3.112 3.704
31 HD2 PRO 6 HD2 PRO 6 -7.317 -1.455 1.408
32 HD3 PRO 6 HD3 PRO 6 -6.492 -0.985 2.908
33 H VAL 7 H VAL 7 -4.749 -3.574 -0.661
34 HA VAL 7 HA VAL 7 -2.508 -5.263 -0.818
35 HB VAL 7 HB VAL 7 -2.894 -5.344 -3.298
36 HG11 VAL 7 HG11 VAL 7 -5.049 -6.507 -3.115
37 HG12 VAL 7 HG12 VAL 7 -5.295 -5.783 -1.527
38 HG13 VAL 7 HG13 VAL 7 -3.969 -6.916 -1.782
39 HG21 VAL 7 HG21 VAL 7 -5.229 -3.569 -2.637
40 HG22 VAL 7 HG22 VAL 7 -4.898 -4.294 -4.214
41 HG23 VAL 7 HG23 VAL 7 -3.816 -3.060 -3.557
42 H CYS 8 H CYS 8 -2.852 -1.876 -1.850
43 HA CYS 8 HA CYS 8 -0.224 -1.862 -3.032
44 HB2 CYS 8 HB2 CYS 8 -1.684 0.591 -2.091
45 HB3 CYS 8 HB3 CYS 8 -0.568 0.437 -3.436
46 H SER 9 H SER 9 -1.697 -1.138 0.076
47 HA SER 9 HA SER 9 0.356 0.213 1.289
48 HB2 SER 9 HB2 SER 9 -1.659 -1.641 2.555
49 HB3 SER 9 HB3 SER 9 -0.809 -0.307 3.340
50 HG SER 9 HG SER 9 -2.238 0.978 2.595
51 H ALA 10 H ALA 10 -0.128 -3.191 0.644
52 HA ALA 10 HA ALA 10 1.992 -4.051 2.434
53 HB1 ALA 10 HB1 ALA 10 0.353 -5.635 0.454
54 HB2 ALA 10 HB2 ALA 10 -0.014 -5.447 2.169
55 HB3 ALA 10 HB3 ALA 10 1.444 -6.304 1.667
56 H MET 11 H MET 11 1.676 -2.958 -0.736
57 HA MET 11 HA MET 11 3.955 -4.338 -1.813
58 HB2 MET 11 HB2 MET 11 2.623 -1.795 -2.793
59 HB3 MET 11 HB3 MET 11 3.840 -2.703 -3.674
60 HG2 MET 11 HG2 MET 11 1.092 -3.678 -2.940
61 HG3 MET 11 HG3 MET 11 1.609 -3.129 -4.534
62 HE1 MET 11 HE1 MET 11 0.589 -5.432 -5.464
63 HE2 MET 11 HE2 MET 11 0.189 -5.945 -3.825
64 HE3 MET 11 HE3 MET 11 1.095 -7.021 -4.890
65 H SER 12 H SER 12 3.280 -1.180 -0.731
66 HA SER 12 HA SER 12 6.076 -0.911 0.075
67 HB2 SER 12 HB2 SER 12 5.488 0.397 -1.983
68 HB3 SER 12 HB3 SER 12 4.351 1.296 -0.982
69 HG SER 12 HG SER 12 6.447 2.257 -1.239
70 HA PRO 13 HA PRO 13 3.506 -0.105 3.727
71 HB2 PRO 13 HB2 PRO 13 5.340 -0.960 5.552
72 HB3 PRO 13 HB3 PRO 13 4.258 -2.052 4.697
73 HG2 PRO 13 HG2 PRO 13 7.141 -1.562 4.277
74 HG3 PRO 13 HG3 PRO 13 6.170 -3.017 3.975
75 HD2 PRO 13 HD2 PRO 13 7.044 -1.146 2.072
76 HD3 PRO 13 HD3 PRO 13 5.837 -2.420 1.814
77 H ILE 14 H ILE 14 6.261 1.224 2.500
78 HA ILE 14 HA ILE 14 6.677 3.020 4.706
79 HB ILE 14 HB ILE 14 8.199 2.853 2.067
80 HG12 ILE 14 HG12 ILE 14 8.914 1.765 4.801
81 HG13 ILE 14 HG13 ILE 14 8.387 0.806 3.426
82 HG21 ILE 14 HG21 ILE 14 9.937 4.171 3.204
83 HG22 ILE 14 HG22 ILE 14 8.913 4.288 4.634
84 HG23 ILE 14 HG23 ILE 14 8.415 5.061 3.129
85 HD11 ILE 14 HD11 ILE 14 10.788 0.671 3.730
86 HD12 ILE 14 HD12 ILE 14 10.917 2.424 3.601
87 HD13 ILE 14 HD13 ILE 14 10.405 1.476 2.206
88 H CYS 15 H CYS 15 4.859 2.708 2.109
89 HA CYS 15 HA CYS 15 4.553 5.530 1.455
90 HB2 CYS 15 HB2 CYS 15 4.723 3.892 -0.397
91 HB3 CYS 15 HB3 CYS 15 3.300 3.067 0.218
92 HN1 NH2 16 HN1 NH2 16 3.343 6.478 2.971
93 HN2 NH2 16 HN2 NH2 16 1.878 5.843 3.636
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 -5.075 6.653 -0.714
2 H2 GLY 1 H2 GLY 1 -6.465 6.331 -1.599
3 H3 GLY 1 H3 GLY 1 -5.824 7.887 -1.621
4 HA2 GLY 1 HA2 GLY 1 -5.350 6.758 -3.660
5 HA3 GLY 1 HA3 GLY 1 -3.855 7.001 -2.764
6 H CYS 2 H CYS 2 -3.009 5.179 -3.986
7 HA CYS 2 HA CYS 2 -4.178 2.583 -3.880
8 HB2 CYS 2 HB2 CYS 2 -2.216 3.682 -5.374
9 HB3 CYS 2 HB3 CYS 2 -1.249 2.949 -4.106
10 H CYS 3 H CYS 3 -1.709 4.326 -2.018
11 HA CYS 3 HA CYS 3 -1.001 2.100 -0.441
12 HB2 CYS 3 HB2 CYS 3 -0.431 5.027 -0.052
13 HB3 CYS 3 HB3 CYS 3 0.274 3.696 0.847
14 H SER 4 H SER 4 -3.600 3.962 -0.439
15 HA SER 4 HA SER 4 -4.227 3.819 2.436
16 HB2 SER 4 HB2 SER 4 -6.006 4.734 0.180
17 HB3 SER 4 HB3 SER 4 -6.155 5.128 1.894
18 HG SER 4 HG SER 4 -4.053 6.141 1.648
19 H HIS 5 H HIS 5 -4.107 1.703 0.045
20 HA HIS 5 HA HIS 5 -6.535 0.238 0.741
21 HB2 HIS 5 HB2 HIS 5 -6.757 1.277 -1.504
22 HB3 HIS 5 HB3 HIS 5 -5.221 0.586 -1.980
23 HD1 HIS 5 HD1 HIS 5 -5.927 -0.982 -3.840
24 HD2 HIS 5 HD2 HIS 5 -8.289 -1.358 -0.438
25 HE1 HIS 5 HE1 HIS 5 -7.462 -2.910 -4.277
26 HA PRO 6 HA PRO 6 -3.603 -2.599 2.586
27 HB2 PRO 6 HB2 PRO 6 -5.620 -4.392 1.286
28 HB3 PRO 6 HB3 PRO 6 -4.810 -4.598 2.847
29 HG2 PRO 6 HG2 PRO 6 -7.210 -3.545 2.823
30 HG3 PRO 6 HG3 PRO 6 -5.947 -2.800 3.815
31 HD2 PRO 6 HD2 PRO 6 -7.155 -1.833 1.283
32 HD3 PRO 6 HD3 PRO 6 -6.440 -0.916 2.625
33 H VAL 7 H VAL 7 -4.663 -3.314 -0.714
34 HA VAL 7 HA VAL 7 -2.710 -5.172 -1.419
35 HB VAL 7 HB VAL 7 -4.043 -3.128 -3.227
36 HG11 VAL 7 HG11 VAL 7 -2.089 -4.114 -4.295
37 HG12 VAL 7 HG12 VAL 7 -3.570 -4.709 -5.047
38 HG13 VAL 7 HG13 VAL 7 -2.681 -5.731 -3.917
39 HG21 VAL 7 HG21 VAL 7 -5.628 -4.924 -3.741
40 HG22 VAL 7 HG22 VAL 7 -5.660 -4.503 -2.029
41 HG23 VAL 7 HG23 VAL 7 -4.827 -5.963 -2.564
42 H CYS 8 H CYS 8 -2.639 -1.633 -1.924
43 HA CYS 8 HA CYS 8 0.101 -1.827 -2.836
44 HB2 CYS 8 HB2 CYS 8 -1.306 0.759 -2.291
45 HB3 CYS 8 HB3 CYS 8 -0.123 0.391 -3.543
46 H SER 9 H SER 9 -1.687 -1.096 0.085
47 HA SER 9 HA SER 9 0.234 0.311 1.448
48 HB2 SER 9 HB2 SER 9 -1.778 -1.635 2.572
49 HB3 SER 9 HB3 SER 9 -0.942 -0.383 3.493
50 HG SER 9 HG SER 9 -2.011 1.178 2.305
51 H ALA 10 H ALA 10 -0.224 -3.159 0.992
52 HA ALA 10 HA ALA 10 1.978 -3.893 2.707
53 HB1 ALA 10 HB1 ALA 10 1.535 -6.153 1.957
54 HB2 ALA 10 HB2 ALA 10 0.427 -5.541 0.727
55 HB3 ALA 10 HB3 ALA 10 0.034 -5.359 2.438
56 H MET 11 H MET 11 1.421 -3.323 -0.670
57 HA MET 11 HA MET 11 3.786 -4.359 -1.764
58 HB2 MET 11 HB2 MET 11 1.927 -3.510 -3.148
59 HB3 MET 11 HB3 MET 11 2.266 -1.883 -2.585
60 HG2 MET 11 HG2 MET 11 4.480 -1.995 -3.658
61 HG3 MET 11 HG3 MET 11 4.075 -3.596 -4.277
62 HE1 MET 11 HE1 MET 11 5.040 -1.179 -6.124
63 HE2 MET 11 HE2 MET 11 3.926 -1.331 -7.483
64 HE3 MET 11 HE3 MET 11 4.632 -2.775 -6.756
65 H SER 12 H SER 12 3.073 -1.216 -0.633
66 HA SER 12 HA SER 12 5.916 -0.852 -0.041
67 HB2 SER 12 HB2 SER 12 5.075 0.488 -2.017
68 HB3 SER 12 HB3 SER 12 4.058 1.341 -0.851
69 HG SER 12 HG SER 12 6.845 1.218 -0.962
70 HA PRO 13 HA PRO 13 3.627 -0.171 3.848
71 HB2 PRO 13 HB2 PRO 13 5.619 -1.050 5.485
72 HB3 PRO 13 HB3 PRO 13 4.448 -2.136 4.733
73 HG2 PRO 13 HG2 PRO 13 7.275 -1.591 3.987
74 HG3 PRO 13 HG3 PRO 13 6.338 -3.094 3.893
75 HD2 PRO 13 HD2 PRO 13 6.885 -1.442 1.755
76 HD3 PRO 13 HD3 PRO 13 5.548 -2.605 1.814
77 H ILE 14 H ILE 14 6.385 1.022 2.393
78 HA ILE 14 HA ILE 14 7.061 2.858 4.499
79 HB ILE 14 HB ILE 14 8.266 2.765 1.698
80 HG12 ILE 14 HG12 ILE 14 9.266 1.398 4.209
81 HG13 ILE 14 HG13 ILE 14 8.507 0.576 2.850
82 HG21 ILE 14 HG21 ILE 14 8.703 4.830 2.979
83 HG22 ILE 14 HG22 ILE 14 10.179 3.894 2.736
84 HG23 ILE 14 HG23 ILE 14 9.363 3.864 4.300
85 HD11 ILE 14 HD11 ILE 14 10.927 0.345 2.812
86 HD12 ILE 14 HD12 ILE 14 11.105 2.099 2.774
87 HD13 ILE 14 HD13 ILE 14 10.360 1.259 1.414
88 H CYS 15 H CYS 15 5.029 2.582 2.028
89 HA CYS 15 HA CYS 15 4.805 5.409 1.365
90 HB2 CYS 15 HB2 CYS 15 4.597 3.733 -0.444
91 HB3 CYS 15 HB3 CYS 15 3.215 3.034 0.382
92 HN1 NH2 16 HN1 NH2 16 4.164 6.124 3.380
93 HN2 NH2 16 HN2 NH2 16 2.618 5.785 4.073
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 -6.434 6.575 -5.530
2 H2 GLY 1 H2 GLY 1 -6.307 7.902 -4.463
3 H3 GLY 1 H3 GLY 1 -6.802 6.390 -3.914
4 HA2 GLY 1 HA2 GLY 1 -4.149 6.910 -5.051
5 HA3 GLY 1 HA3 GLY 1 -4.495 6.868 -3.329
6 H CYS 2 H CYS 2 -3.012 5.133 -3.218
7 HA CYS 2 HA CYS 2 -4.230 2.537 -3.915
8 HB2 CYS 2 HB2 CYS 2 -2.272 3.504 -5.493
9 HB3 CYS 2 HB3 CYS 2 -1.337 2.902 -4.126
10 H CYS 3 H CYS 3 -1.562 4.314 -2.353
11 HA CYS 3 HA CYS 3 -0.647 2.317 -0.680
12 HB2 CYS 3 HB2 CYS 3 -0.563 5.307 -0.331
13 HB3 CYS 3 HB3 CYS 3 0.411 4.150 0.570
14 H SER 4 H SER 4 -3.386 4.306 -0.357
15 HA SER 4 HA SER 4 -3.707 3.698 2.484
16 HB2 SER 4 HB2 SER 4 -5.414 5.315 0.589
17 HB3 SER 4 HB3 SER 4 -5.725 5.149 2.320
18 HG SER 4 HG SER 4 -3.195 5.841 1.983
19 H HIS 5 H HIS 5 -3.896 1.707 0.191
20 HA HIS 5 HA HIS 5 -6.396 0.448 0.988
21 HB2 HIS 5 HB2 HIS 5 -6.681 1.449 -1.266
22 HB3 HIS 5 HB3 HIS 5 -5.223 0.656 -1.817
23 HD1 HIS 5 HD1 HIS 5 -6.086 -0.946 -3.586
24 HD2 HIS 5 HD2 HIS 5 -8.401 -1.020 -0.124
25 HE1 HIS 5 HE1 HIS 5 -7.732 -2.809 -3.890
26 HA PRO 6 HA PRO 6 -3.855 -2.780 2.722
27 HB2 PRO 6 HB2 PRO 6 -5.597 -4.456 1.003
28 HB3 PRO 6 HB3 PRO 6 -5.151 -4.675 2.694
29 HG2 PRO 6 HG2 PRO 6 -7.515 -3.538 1.821
30 HG3 PRO 6 HG3 PRO 6 -6.814 -3.297 3.423
31 HD2 PRO 6 HD2 PRO 6 -7.176 -1.362 1.370
32 HD3 PRO 6 HD3 PRO 6 -6.378 -1.136 2.934
33 H VAL 7 H VAL 7 -4.661 -3.480 -0.692
34 HA VAL 7 HA VAL 7 -2.478 -5.190 -1.048
35 HB VAL 7 HB VAL 7 -2.896 -5.057 -3.494
36 HG11 VAL 7 HG11 VAL 7 -4.156 -6.617 -2.122
37 HG12 VAL 7 HG12 VAL 7 -5.169 -5.983 -3.420
38 HG13 VAL 7 HG13 VAL 7 -5.349 -5.367 -1.777
39 HG21 VAL 7 HG21 VAL 7 -3.533 -2.715 -3.663
40 HG22 VAL 7 HG22 VAL 7 -4.977 -3.027 -2.701
41 HG23 VAL 7 HG23 VAL 7 -4.813 -3.751 -4.299
42 H CYS 8 H CYS 8 -2.640 -1.723 -1.556
43 HA CYS 8 HA CYS 8 0.004 -1.785 -2.767
44 HB2 CYS 8 HB2 CYS 8 -1.494 0.703 -2.012
45 HB3 CYS 8 HB3 CYS 8 -0.345 0.476 -3.320
46 H SER 9 H SER 9 -1.583 -1.266 0.254
47 HA SER 9 HA SER 9 0.421 0.155 1.527
48 HB2 SER 9 HB2 SER 9 -1.890 0.022 2.382
49 HB3 SER 9 HB3 SER 9 -1.673 -1.691 2.719
50 HG SER 9 HG SER 9 -0.570 0.552 3.984
51 H ALA 10 H ALA 10 -0.147 -3.247 0.884
52 HA ALA 10 HA ALA 10 2.086 -4.155 2.487
53 HB1 ALA 10 HB1 ALA 10 0.411 -5.657 0.465
54 HB2 ALA 10 HB2 ALA 10 0.105 -5.594 2.201
55 HB3 ALA 10 HB3 ALA 10 1.562 -6.378 1.589
56 H MET 11 H MET 11 1.444 -3.286 -0.776
57 HA MET 11 HA MET 11 3.733 -4.265 -2.088
58 HB2 MET 11 HB2 MET 11 1.819 -3.295 -3.289
59 HB3 MET 11 HB3 MET 11 2.156 -1.734 -2.565
60 HG2 MET 11 HG2 MET 11 4.306 -1.675 -3.779
61 HG3 MET 11 HG3 MET 11 3.873 -3.192 -4.568
62 HE1 MET 11 HE1 MET 11 4.655 -0.574 -6.194
63 HE2 MET 11 HE2 MET 11 3.418 -0.567 -7.452
64 HE3 MET 11 HE3 MET 11 4.182 -2.083 -6.975
65 H SER 12 H SER 12 3.106 -1.192 -0.722
66 HA SER 12 HA SER 12 5.931 -0.944 -0.060
67 HB2 SER 12 HB2 SER 12 5.270 0.368 -2.096
68 HB3 SER 12 HB3 SER 12 4.242 1.335 -1.049
69 HG SER 12 HG SER 12 6.987 1.298 -1.271
70 HA PRO 13 HA PRO 13 3.453 -0.295 3.704
71 HB2 PRO 13 HB2 PRO 13 5.328 -1.185 5.439
72 HB3 PRO 13 HB3 PRO 13 4.291 -2.278 4.517
73 HG2 PRO 13 HG2 PRO 13 7.131 -1.501 4.030
74 HG3 PRO 13 HG3 PRO 13 6.331 -3.077 3.834
75 HD2 PRO 13 HD2 PRO 13 6.903 -1.351 1.778
76 HD3 PRO 13 HD3 PRO 13 5.622 -2.577 1.729
77 H ILE 14 H ILE 14 6.002 1.284 2.426
78 HA ILE 14 HA ILE 14 6.422 2.975 4.724
79 HB ILE 14 HB ILE 14 7.779 3.130 2.004
80 HG12 ILE 14 HG12 ILE 14 8.274 0.972 3.044
81 HG13 ILE 14 HG13 ILE 14 9.707 1.987 3.029
82 HG21 ILE 14 HG21 ILE 14 7.928 5.222 3.258
83 HG22 ILE 14 HG22 ILE 14 9.507 4.452 3.127
84 HG23 ILE 14 HG23 ILE 14 8.604 4.358 4.639
85 HD11 ILE 14 HD11 ILE 14 7.919 1.463 5.398
86 HD12 ILE 14 HD12 ILE 14 9.342 2.504 5.399
87 HD13 ILE 14 HD13 ILE 14 9.518 0.771 5.115
88 H CYS 15 H CYS 15 4.500 2.632 2.194
89 HA CYS 15 HA CYS 15 3.933 5.501 1.860
90 HB2 CYS 15 HB2 CYS 15 4.665 4.272 -0.226
91 HB3 CYS 15 HB3 CYS 15 3.226 3.273 -0.061
92 HN1 NH2 16 HN1 NH2 16 2.298 2.347 1.646
93 HN2 NH2 16 HN2 NH2 16 0.858 2.863 2.451
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 0.114 7.560 -6.183
2 H2 GLY 1 H2 GLY 1 -0.143 6.256 -7.199
3 H3 GLY 1 H3 GLY 1 1.439 6.845 -6.993
4 HA2 GLY 1 HA2 GLY 1 1.149 4.827 -5.772
5 HA3 GLY 1 HA3 GLY 1 1.295 6.173 -4.645
6 H CYS 2 H CYS 2 0.086 3.783 -3.852
7 HA CYS 2 HA CYS 2 -2.748 4.203 -4.085
8 HB2 CYS 2 HB2 CYS 2 -2.641 2.003 -2.855
9 HB3 CYS 2 HB3 CYS 2 -2.099 2.036 -4.543
10 H CYS 3 H CYS 3 -0.595 3.197 -1.510
11 HA CYS 3 HA CYS 3 -0.420 3.578 0.677
12 HB2 CYS 3 HB2 CYS 3 -0.066 5.839 0.078
13 HB3 CYS 3 HB3 CYS 3 -1.781 6.143 -0.080
14 H SER 4 H SER 4 -3.747 4.600 -0.156
15 HA SER 4 HA SER 4 -4.658 3.505 2.372
16 HB2 SER 4 HB2 SER 4 -6.135 5.092 0.268
17 HB3 SER 4 HB3 SER 4 -6.729 4.680 1.879
18 HG SER 4 HG SER 4 -4.479 5.737 2.386
19 H HIS 5 H HIS 5 -3.827 1.737 0.197
20 HA HIS 5 HA HIS 5 -6.352 0.250 0.044
21 HB2 HIS 5 HB2 HIS 5 -5.709 1.111 -2.211
22 HB3 HIS 5 HB3 HIS 5 -4.206 0.199 -2.097
23 HD1 HIS 5 HD1 HIS 5 -7.931 -0.301 -2.489
24 HD2 HIS 5 HD2 HIS 5 -4.408 -2.493 -2.687
25 HE1 HIS 5 HE1 HIS 5 -8.571 -2.562 -3.358
26 HA PRO 6 HA PRO 6 -4.094 -2.270 2.967
27 HB2 PRO 6 HB2 PRO 6 -6.021 -4.230 1.783
28 HB3 PRO 6 HB3 PRO 6 -5.569 -3.992 3.477
29 HG2 PRO 6 HG2 PRO 6 -7.828 -2.960 2.585
30 HG3 PRO 6 HG3 PRO 6 -6.787 -2.014 3.661
31 HD2 PRO 6 HD2 PRO 6 -7.250 -1.701 0.733
32 HD3 PRO 6 HD3 PRO 6 -6.871 -0.477 1.960
33 H VAL 7 H VAL 7 -4.864 -3.879 -0.136
34 HA VAL 7 HA VAL 7 -2.749 -5.772 0.068
35 HB VAL 7 HB VAL 7 -4.144 -4.833 -2.462
36 HG11 VAL 7 HG11 VAL 7 -2.102 -6.074 -2.949
37 HG12 VAL 7 HG12 VAL 7 -3.524 -7.023 -3.386
38 HG13 VAL 7 HG13 VAL 7 -2.638 -7.392 -1.907
39 HG21 VAL 7 HG21 VAL 7 -5.617 -6.768 -2.157
40 HG22 VAL 7 HG22 VAL 7 -5.751 -5.619 -0.824
41 HG23 VAL 7 HG23 VAL 7 -4.833 -7.111 -0.615
42 H CYS 8 H CYS 8 -2.929 -2.550 -1.151
43 HA CYS 8 HA CYS 8 -0.399 -2.784 -2.527
44 HB2 CYS 8 HB2 CYS 8 -2.368 -1.468 -3.452
45 HB3 CYS 8 HB3 CYS 8 -2.057 -0.327 -2.147
46 H SER 9 H SER 9 -1.648 -1.809 0.533
47 HA SER 9 HA SER 9 0.399 -0.141 1.325
48 HB2 SER 9 HB2 SER 9 -1.313 -1.995 2.985
49 HB3 SER 9 HB3 SER 9 -0.351 -0.649 3.606
50 HG SER 9 HG SER 9 -1.595 0.748 2.291
51 H ALA 10 H ALA 10 0.261 -3.508 0.813
52 HA ALA 10 HA ALA 10 2.726 -4.106 2.260
53 HB1 ALA 10 HB1 ALA 10 2.378 -6.376 1.419
54 HB2 ALA 10 HB2 ALA 10 1.037 -5.800 0.427
55 HB3 ALA 10 HB3 ALA 10 0.904 -5.771 2.182
56 H MET 11 H MET 11 1.638 -3.187 -0.818
57 HA MET 11 HA MET 11 4.010 -3.953 -2.270
58 HB2 MET 11 HB2 MET 11 1.717 -2.117 -2.991
59 HB3 MET 11 HB3 MET 11 3.045 -2.468 -4.080
60 HG2 MET 11 HG2 MET 11 1.166 -4.529 -2.949
61 HG3 MET 11 HG3 MET 11 1.001 -3.777 -4.534
62 HE1 MET 11 HE1 MET 11 4.120 -5.086 -6.456
63 HE2 MET 11 HE2 MET 11 4.007 -3.574 -5.568
64 HE3 MET 11 HE3 MET 11 2.641 -4.128 -6.537
65 H SER 12 H SER 12 2.676 -1.163 -0.885
66 HA SER 12 HA SER 12 5.339 0.031 -0.843
67 HB2 SER 12 HB2 SER 12 3.642 1.226 -2.322
68 HB3 SER 12 HB3 SER 12 2.768 1.578 -0.817
69 HG SER 12 HG SER 12 4.448 3.131 -1.735
70 HA PRO 13 HA PRO 13 3.875 -0.774 3.432
71 HB2 PRO 13 HB2 PRO 13 6.342 -1.290 4.478
72 HB3 PRO 13 HB3 PRO 13 5.337 -2.515 3.699
73 HG2 PRO 13 HG2 PRO 13 7.668 -1.011 2.624
74 HG3 PRO 13 HG3 PRO 13 7.159 -2.707 2.351
75 HD2 PRO 13 HD2 PRO 13 6.788 -0.641 0.581
76 HD3 PRO 13 HD3 PRO 13 5.805 -2.115 0.626
77 H ILE 14 H ILE 14 5.490 1.588 1.967
78 HA ILE 14 HA ILE 14 6.440 3.140 4.118
79 HB ILE 14 HB ILE 14 5.475 4.066 1.377
80 HG12 ILE 14 HG12 ILE 14 7.962 4.493 0.967
81 HG13 ILE 14 HG13 ILE 14 8.266 3.578 2.432
82 HG21 ILE 14 HG21 ILE 14 5.280 5.919 2.897
83 HG22 ILE 14 HG22 ILE 14 6.623 6.202 1.788
84 HG23 ILE 14 HG23 ILE 14 6.939 5.687 3.445
85 HD11 ILE 14 HD11 ILE 14 6.930 2.527 -0.054
86 HD12 ILE 14 HD12 ILE 14 7.293 1.597 1.402
87 HD13 ILE 14 HD13 ILE 14 8.604 2.246 0.420
88 H CYS 15 H CYS 15 3.495 2.633 2.708
89 HA CYS 15 HA CYS 15 2.168 4.209 4.812
90 HB2 CYS 15 HB2 CYS 15 1.704 5.227 2.638
91 HB3 CYS 15 HB3 CYS 15 1.138 3.679 2.017
92 HN1 NH2 16 HN1 NH2 16 2.021 2.553 6.227
93 HN2 NH2 16 HN2 NH2 16 1.099 1.112 5.950
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 -5.484 8.054 -1.805
2 H2 GLY 1 H2 GLY 1 -4.902 6.728 -0.937
3 H3 GLY 1 H3 GLY 1 -6.325 6.584 -1.835
4 HA2 GLY 1 HA2 GLY 1 -5.134 6.860 -3.873
5 HA3 GLY 1 HA3 GLY 1 -3.640 7.052 -2.966
6 H CYS 2 H CYS 2 -2.781 5.200 -4.049
7 HA CYS 2 HA CYS 2 -4.066 2.658 -4.074
8 HB2 CYS 2 HB2 CYS 2 -1.997 3.661 -5.443
9 HB3 CYS 2 HB3 CYS 2 -1.099 2.964 -4.102
10 H CYS 3 H CYS 3 -1.503 4.137 -2.077
11 HA CYS 3 HA CYS 3 -1.073 1.874 -0.456
12 HB2 CYS 3 HB2 CYS 3 -0.272 4.734 -0.096
13 HB3 CYS 3 HB3 CYS 3 0.305 3.369 0.847
14 H SER 4 H SER 4 -3.493 3.960 -0.504
15 HA SER 4 HA SER 4 -4.106 4.012 2.339
16 HB2 SER 4 HB2 SER 4 -5.852 4.788 -0.001
17 HB3 SER 4 HB3 SER 4 -6.041 5.281 1.683
18 HG SER 4 HG SER 4 -4.027 6.324 1.508
19 H HIS 5 H HIS 5 -4.106 1.630 0.114
20 HA HIS 5 HA HIS 5 -6.365 0.275 1.319
21 HB2 HIS 5 HB2 HIS 5 -7.015 1.302 -0.936
22 HB3 HIS 5 HB3 HIS 5 -5.842 0.221 -1.670
23 HD1 HIS 5 HD1 HIS 5 -9.225 0.248 -0.042
24 HD2 HIS 5 HD2 HIS 5 -6.662 -2.449 -1.885
25 HE1 HIS 5 HE1 HIS 5 -10.585 -1.827 -0.465
26 HA PRO 6 HA PRO 6 -3.541 -2.883 2.564
27 HB2 PRO 6 HB2 PRO 6 -5.545 -4.486 1.031
28 HB3 PRO 6 HB3 PRO 6 -4.753 -4.866 2.564
29 HG2 PRO 6 HG2 PRO 6 -7.213 -3.781 2.487
30 HG3 PRO 6 HG3 PRO 6 -6.054 -3.391 3.763
31 HD2 PRO 6 HD2 PRO 6 -7.082 -1.685 1.634
32 HD3 PRO 6 HD3 PRO 6 -6.137 -1.231 3.068
33 H VAL 7 H VAL 7 -4.750 -3.355 -0.730
34 HA VAL 7 HA VAL 7 -2.802 -5.108 -1.610
35 HB VAL 7 HB VAL 7 -3.477 -4.603 -3.895
36 HG11 VAL 7 HG11 VAL 7 -5.872 -5.123 -3.693
37 HG12 VAL 7 HG12 VAL 7 -5.794 -4.726 -1.977
38 HG13 VAL 7 HG13 VAL 7 -4.875 -6.090 -2.608
39 HG21 VAL 7 HG21 VAL 7 -5.279 -2.885 -4.298
40 HG22 VAL 7 HG22 VAL 7 -3.689 -2.242 -3.915
41 HG23 VAL 7 HG23 VAL 7 -4.934 -2.253 -2.678
42 H CYS 8 H CYS 8 -2.619 -1.595 -1.486
43 HA CYS 8 HA CYS 8 0.006 -1.823 -2.782
44 HB2 CYS 8 HB2 CYS 8 -1.426 0.746 -2.202
45 HB3 CYS 8 HB3 CYS 8 -0.145 0.459 -3.376
46 H SER 9 H SER 9 -1.659 -1.119 0.192
47 HA SER 9 HA SER 9 0.271 0.331 1.497
48 HB2 SER 9 HB2 SER 9 -1.650 -1.670 2.695
49 HB3 SER 9 HB3 SER 9 -0.879 -0.324 3.539
50 HG SER 9 HG SER 9 -2.092 1.107 2.379
51 H ALA 10 H ALA 10 -0.210 -3.152 1.123
52 HA ALA 10 HA ALA 10 2.096 -3.809 2.745
53 HB1 ALA 10 HB1 ALA 10 1.581 -6.132 2.149
54 HB2 ALA 10 HB2 ALA 10 0.364 -5.567 1.002
55 HB3 ALA 10 HB3 ALA 10 0.145 -5.288 2.728
56 H MET 11 H MET 11 1.408 -3.112 -0.498
57 HA MET 11 HA MET 11 3.602 -4.369 -1.785
58 HB2 MET 11 HB2 MET 11 1.704 -3.476 -3.059
59 HB3 MET 11 HB3 MET 11 2.102 -1.854 -2.514
60 HG2 MET 11 HG2 MET 11 4.251 -2.023 -3.721
61 HG3 MET 11 HG3 MET 11 3.740 -3.586 -4.349
62 HE1 MET 11 HE1 MET 11 0.691 -2.651 -6.609
63 HE2 MET 11 HE2 MET 11 0.623 -3.149 -4.921
64 HE3 MET 11 HE3 MET 11 1.743 -3.943 -6.031
65 H SER 12 H SER 12 3.131 -1.210 -0.566
66 HA SER 12 HA SER 12 5.995 -1.031 -0.058
67 HB2 SER 12 HB2 SER 12 5.280 0.265 -2.081
68 HB3 SER 12 HB3 SER 12 4.288 1.242 -1.008
69 HG SER 12 HG SER 12 7.105 0.968 -0.863
70 HA PRO 13 HA PRO 13 3.685 -0.201 3.793
71 HB2 PRO 13 HB2 PRO 13 5.645 -1.018 5.483
72 HB3 PRO 13 HB3 PRO 13 4.506 -2.123 4.707
73 HG2 PRO 13 HG2 PRO 13 7.334 -1.518 4.002
74 HG3 PRO 13 HG3 PRO 13 6.453 -3.058 3.955
75 HD2 PRO 13 HD2 PRO 13 6.972 -1.510 1.756
76 HD3 PRO 13 HD3 PRO 13 5.620 -2.653 1.867
77 H ILE 14 H ILE 14 6.333 1.158 2.383
78 HA ILE 14 HA ILE 14 6.962 2.976 4.507
79 HB ILE 14 HB ILE 14 7.813 3.049 1.595
80 HG12 ILE 14 HG12 ILE 14 8.605 1.005 2.683
81 HG13 ILE 14 HG13 ILE 14 9.951 2.085 2.350
82 HG21 ILE 14 HG21 ILE 14 8.978 4.527 3.953
83 HG22 ILE 14 HG22 ILE 14 8.023 5.235 2.654
84 HG23 ILE 14 HG23 ILE 14 9.612 4.553 2.305
85 HD11 ILE 14 HD11 ILE 14 10.202 1.042 4.510
86 HD12 ILE 14 HD12 ILE 14 8.628 1.648 5.020
87 HD13 ILE 14 HD13 ILE 14 9.948 2.776 4.704
88 H CYS 15 H CYS 15 5.092 2.640 1.885
89 HA CYS 15 HA CYS 15 4.275 5.412 1.556
90 HB2 CYS 15 HB2 CYS 15 4.790 4.104 -0.449
91 HB3 CYS 15 HB3 CYS 15 3.592 2.911 0.018
92 HN1 NH2 16 HN1 NH2 16 2.651 2.261 1.967
93 HN2 NH2 16 HN2 NH2 16 1.317 2.899 2.866
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 1.028 5.477 -5.401
2 H2 GLY 1 H2 GLY 1 0.453 7.027 -5.692
3 H3 GLY 1 H3 GLY 1 1.443 6.275 -6.827
4 HA2 GLY 1 HA2 GLY 1 -0.854 6.264 -7.548
5 HA3 GLY 1 HA3 GLY 1 -0.258 4.632 -7.267
6 H CYS 2 H CYS 2 -0.637 3.848 -4.771
7 HA CYS 2 HA CYS 2 -3.089 4.781 -3.846
8 HB2 CYS 2 HB2 CYS 2 -3.206 2.275 -3.340
9 HB3 CYS 2 HB3 CYS 2 -3.549 2.786 -5.016
10 H CYS 3 H CYS 3 -3.018 3.669 -1.729
11 HA CYS 3 HA CYS 3 -0.550 3.172 -0.418
12 HB2 CYS 3 HB2 CYS 3 -0.382 5.604 -0.599
13 HB3 CYS 3 HB3 CYS 3 -1.939 5.760 0.206
14 H SER 4 H SER 4 -3.898 4.344 0.264
15 HA SER 4 HA SER 4 -3.931 2.852 2.729
16 HB2 SER 4 HB2 SER 4 -6.185 3.984 2.915
17 HB3 SER 4 HB3 SER 4 -4.782 5.054 2.862
18 HG SER 4 HG SER 4 -6.833 4.700 1.078
19 H HIS 5 H HIS 5 -4.008 1.634 0.012
20 HA HIS 5 HA HIS 5 -6.561 0.202 0.191
21 HB2 HIS 5 HB2 HIS 5 -5.918 1.233 -2.034
22 HB3 HIS 5 HB3 HIS 5 -4.490 0.210 -2.044
23 HD1 HIS 5 HD1 HIS 5 -8.272 -0.196 -1.970
24 HD2 HIS 5 HD2 HIS 5 -4.853 -2.113 -3.311
25 HE1 HIS 5 HE1 HIS 5 -9.078 -2.175 -3.298
26 HA PRO 6 HA PRO 6 -4.400 -2.658 2.779
27 HB2 PRO 6 HB2 PRO 6 -6.005 -4.646 1.228
28 HB3 PRO 6 HB3 PRO 6 -5.715 -4.542 2.965
29 HG2 PRO 6 HG2 PRO 6 -7.987 -3.625 1.932
30 HG3 PRO 6 HG3 PRO 6 -7.181 -2.778 3.264
31 HD2 PRO 6 HD2 PRO 6 -7.410 -2.024 0.402
32 HD3 PRO 6 HD3 PRO 6 -7.206 -0.994 1.832
33 H VAL 7 H VAL 7 -4.708 -4.109 -0.518
34 HA VAL 7 HA VAL 7 -2.269 -5.497 -0.160
35 HB VAL 7 HB VAL 7 -2.332 -6.090 -2.531
36 HG11 VAL 7 HG11 VAL 7 -3.656 -7.396 -1.025
37 HG12 VAL 7 HG12 VAL 7 -4.497 -7.247 -2.569
38 HG13 VAL 7 HG13 VAL 7 -5.011 -6.282 -1.186
39 HG21 VAL 7 HG21 VAL 7 -3.106 -3.998 -3.502
40 HG22 VAL 7 HG22 VAL 7 -4.679 -4.201 -2.738
41 HG23 VAL 7 HG23 VAL 7 -4.162 -5.321 -3.998
42 H CYS 8 H CYS 8 -2.956 -2.327 -1.301
43 HA CYS 8 HA CYS 8 -0.372 -1.960 -2.489
44 HB2 CYS 8 HB2 CYS 8 -2.400 -0.643 -3.244
45 HB3 CYS 8 HB3 CYS 8 -2.356 0.192 -1.705
46 H SER 9 H SER 9 -1.806 -1.606 0.673
47 HA SER 9 HA SER 9 0.134 0.028 1.771
48 HB2 SER 9 HB2 SER 9 -1.582 -2.048 3.157
49 HB3 SER 9 HB3 SER 9 -0.788 -0.672 3.928
50 HG SER 9 HG SER 9 -2.073 0.567 2.236
51 H ALA 10 H ALA 10 0.062 -3.269 0.855
52 HA ALA 10 HA ALA 10 2.407 -4.039 2.399
53 HB1 ALA 10 HB1 ALA 10 2.063 -6.245 1.388
54 HB2 ALA 10 HB2 ALA 10 0.764 -5.585 0.393
55 HB3 ALA 10 HB3 ALA 10 0.586 -5.655 2.147
56 H MET 11 H MET 11 1.363 -3.240 -0.822
57 HA MET 11 HA MET 11 3.762 -3.762 -2.214
58 HB2 MET 11 HB2 MET 11 1.608 -1.725 -2.782
59 HB3 MET 11 HB3 MET 11 2.941 -2.051 -3.863
60 HG2 MET 11 HG2 MET 11 0.837 -4.036 -3.038
61 HG3 MET 11 HG3 MET 11 0.906 -3.177 -4.577
62 HE1 MET 11 HE1 MET 11 1.794 -6.847 -5.597
63 HE2 MET 11 HE2 MET 11 0.758 -5.459 -5.918
64 HE3 MET 11 HE3 MET 11 0.633 -6.316 -4.379
65 H SER 12 H SER 12 2.546 -0.951 -0.710
66 HA SER 12 HA SER 12 5.276 0.047 -0.523
67 HB2 SER 12 HB2 SER 12 3.803 1.437 -1.977
68 HB3 SER 12 HB3 SER 12 2.759 1.681 -0.579
69 HG SER 12 HG SER 12 5.164 2.851 -1.167
70 HA PRO 13 HA PRO 13 3.823 -0.430 3.766
71 HB2 PRO 13 HB2 PRO 13 5.974 -1.662 4.753
72 HB3 PRO 13 HB3 PRO 13 4.782 -2.569 3.812
73 HG2 PRO 13 HG2 PRO 13 7.439 -1.492 2.979
74 HG3 PRO 13 HG3 PRO 13 6.689 -3.054 2.584
75 HD2 PRO 13 HD2 PRO 13 6.711 -0.833 0.934
76 HD3 PRO 13 HD3 PRO 13 5.537 -2.159 0.820
77 H ILE 14 H ILE 14 5.800 1.367 2.053
78 HA ILE 14 HA ILE 14 7.177 2.672 4.214
79 HB ILE 14 HB ILE 14 7.155 3.399 1.258
80 HG12 ILE 14 HG12 ILE 14 8.084 1.154 1.541
81 HG13 ILE 14 HG13 ILE 14 9.348 2.284 1.081
82 HG21 ILE 14 HG21 ILE 14 7.842 5.274 2.641
83 HG22 ILE 14 HG22 ILE 14 9.216 4.657 1.722
84 HG23 ILE 14 HG23 ILE 14 9.055 4.269 3.434
85 HD11 ILE 14 HD11 ILE 14 8.835 1.194 3.842
86 HD12 ILE 14 HD12 ILE 14 10.091 2.358 3.423
87 HD13 ILE 14 HD13 ILE 14 10.142 0.727 2.753
88 H CYS 15 H CYS 15 4.454 2.736 2.445
89 HA CYS 15 HA CYS 15 3.729 5.450 3.277
90 HB2 CYS 15 HB2 CYS 15 3.614 4.917 0.784
91 HB3 CYS 15 HB3 CYS 15 2.305 3.810 1.162
92 HN1 NH2 16 HN1 NH2 16 1.766 2.566 2.521
93 HN2 NH2 16 HN2 NH2 16 0.992 2.528 4.062
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -0.057 5.977 -7.626
2 H2 GLY 1 H2 GLY 1 0.094 4.312 -7.721
3 H3 GLY 1 H3 GLY 1 1.482 5.262 -7.730
4 HA2 GLY 1 HA2 GLY 1 1.203 4.260 -5.581
5 HA3 GLY 1 HA3 GLY 1 0.978 6.002 -5.474
6 H CYS 2 H CYS 2 -0.143 3.481 -4.003
7 HA CYS 2 HA CYS 2 -2.951 4.066 -4.315
8 HB2 CYS 2 HB2 CYS 2 -3.002 1.794 -3.204
9 HB3 CYS 2 HB3 CYS 2 -2.491 1.864 -4.910
10 H CYS 3 H CYS 3 -0.765 2.718 -1.945
11 HA CYS 3 HA CYS 3 -0.356 2.903 0.216
12 HB2 CYS 3 HB2 CYS 3 0.156 5.176 -0.405
13 HB3 CYS 3 HB3 CYS 3 -1.506 5.649 -0.089
14 H SER 4 H SER 4 -3.522 4.527 -0.149
15 HA SER 4 HA SER 4 -4.443 3.531 2.390
16 HB2 SER 4 HB2 SER 4 -5.859 5.104 0.236
17 HB3 SER 4 HB3 SER 4 -6.469 4.817 1.868
18 HG SER 4 HG SER 4 -4.861 6.013 2.692
19 H HIS 5 H HIS 5 -3.950 1.721 0.025
20 HA HIS 5 HA HIS 5 -6.561 0.385 0.082
21 HB2 HIS 5 HB2 HIS 5 -5.857 1.228 -2.186
22 HB3 HIS 5 HB3 HIS 5 -4.464 0.155 -2.102
23 HD1 HIS 5 HD1 HIS 5 -8.182 0.163 -2.599
24 HD2 HIS 5 HD2 HIS 5 -5.014 -2.526 -2.637
25 HE1 HIS 5 HE1 HIS 5 -9.095 -1.964 -3.582
26 HA PRO 6 HA PRO 6 -4.338 -2.145 3.045
27 HB2 PRO 6 HB2 PRO 6 -6.369 -4.072 2.017
28 HB3 PRO 6 HB3 PRO 6 -5.886 -3.727 3.680
29 HG2 PRO 6 HG2 PRO 6 -8.119 -2.694 2.634
30 HG3 PRO 6 HG3 PRO 6 -7.125 -1.795 3.792
31 HD2 PRO 6 HD2 PRO 6 -7.516 -1.346 0.897
32 HD3 PRO 6 HD3 PRO 6 -6.974 -0.218 2.149
33 H VAL 7 H VAL 7 -5.363 -3.933 0.139
34 HA VAL 7 HA VAL 7 -3.267 -5.825 0.349
35 HB VAL 7 HB VAL 7 -4.967 -5.148 -2.087
36 HG11 VAL 7 HG11 VAL 7 -2.948 -6.393 -2.703
37 HG12 VAL 7 HG12 VAL 7 -4.396 -7.383 -2.901
38 HG13 VAL 7 HG13 VAL 7 -3.342 -7.628 -1.507
39 HG21 VAL 7 HG21 VAL 7 -6.347 -7.035 -1.417
40 HG22 VAL 7 HG22 VAL 7 -6.270 -5.851 -0.105
41 HG23 VAL 7 HG23 VAL 7 -5.306 -7.320 -0.029
42 H CYS 8 H CYS 8 -3.343 -2.665 -0.965
43 HA CYS 8 HA CYS 8 -0.960 -3.113 -2.590
44 HB2 CYS 8 HB2 CYS 8 -2.993 -1.797 -3.408
45 HB3 CYS 8 HB3 CYS 8 -2.483 -0.589 -2.223
46 H SER 9 H SER 9 -1.887 -2.022 0.514
47 HA SER 9 HA SER 9 0.158 -0.248 1.118
48 HB2 SER 9 HB2 SER 9 -1.203 -2.235 2.966
49 HB3 SER 9 HB3 SER 9 -0.325 -0.796 3.480
50 HG SER 9 HG SER 9 -1.924 0.413 2.174
51 H ALA 10 H ALA 10 0.299 -3.535 0.367
52 HA ALA 10 HA ALA 10 2.766 -4.135 1.749
53 HB1 ALA 10 HB1 ALA 10 1.310 -5.671 -0.404
54 HB2 ALA 10 HB2 ALA 10 1.096 -5.894 1.333
55 HB3 ALA 10 HB3 ALA 10 2.644 -6.275 0.579
56 H MET 11 H MET 11 1.829 -2.599 -1.152
57 HA MET 11 HA MET 11 4.277 -3.135 -2.582
58 HB2 MET 11 HB2 MET 11 2.165 -2.738 -3.808
59 HB3 MET 11 HB3 MET 11 2.074 -1.124 -3.127
60 HG2 MET 11 HG2 MET 11 2.849 -1.054 -5.426
61 HG3 MET 11 HG3 MET 11 4.112 -0.501 -4.328
62 HE1 MET 11 HE1 MET 11 4.608 -1.369 -7.394
63 HE2 MET 11 HE2 MET 11 6.111 -2.275 -7.218
64 HE3 MET 11 HE3 MET 11 5.876 -0.774 -6.323
65 H SER 12 H SER 12 2.887 -0.711 -0.665
66 HA SER 12 HA SER 12 5.546 0.450 -0.360
67 HB2 SER 12 HB2 SER 12 3.968 1.888 -1.709
68 HB3 SER 12 HB3 SER 12 3.029 2.041 -0.219
69 HG SER 12 HG SER 12 4.917 3.632 -0.826
70 HA PRO 13 HA PRO 13 3.942 -0.603 3.803
71 HB2 PRO 13 HB2 PRO 13 6.198 -1.698 4.769
72 HB3 PRO 13 HB3 PRO 13 5.117 -2.611 3.714
73 HG2 PRO 13 HG2 PRO 13 7.690 -1.251 3.068
74 HG3 PRO 13 HG3 PRO 13 7.069 -2.811 2.498
75 HD2 PRO 13 HD2 PRO 13 6.967 -0.451 1.080
76 HD3 PRO 13 HD3 PRO 13 5.893 -1.837 0.796
77 H ILE 14 H ILE 14 5.954 1.618 2.502
78 HA ILE 14 HA ILE 14 6.855 2.576 5.077
79 HB ILE 14 HB ILE 14 7.863 3.454 2.341
80 HG12 ILE 14 HG12 ILE 14 8.390 1.092 2.743
81 HG13 ILE 14 HG13 ILE 14 9.843 2.080 2.763
82 HG21 ILE 14 HG21 ILE 14 9.051 3.936 5.077
83 HG22 ILE 14 HG22 ILE 14 8.257 5.144 4.070
84 HG23 ILE 14 HG23 ILE 14 9.777 4.418 3.543
85 HD11 ILE 14 HD11 ILE 14 8.387 1.017 5.181
86 HD12 ILE 14 HD12 ILE 14 9.863 1.983 5.212
87 HD13 ILE 14 HD13 ILE 14 9.875 0.368 4.501
88 H CYS 15 H CYS 15 4.387 2.870 3.145
89 HA CYS 15 HA CYS 15 4.156 5.755 3.185
90 HB2 CYS 15 HB2 CYS 15 3.314 4.505 1.200
91 HB3 CYS 15 HB3 CYS 15 2.078 3.767 2.209
92 HN1 NH2 16 HN1 NH2 16 1.498 3.561 3.993
93 HN2 NH2 16 HN2 NH2 16 1.216 4.242 5.548
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 -7.065 4.532 -3.688
2 H2 GLY 1 H2 GLY 1 -7.327 6.197 -3.438
3 H3 GLY 1 H3 GLY 1 -6.951 5.161 -2.152
4 HA2 GLY 1 HA2 GLY 1 -5.088 5.661 -4.354
5 HA3 GLY 1 HA3 GLY 1 -5.038 6.470 -2.790
6 H CYS 2 H CYS 2 -3.142 4.545 -4.108
7 HA CYS 2 HA CYS 2 -3.406 2.072 -2.939
8 HB2 CYS 2 HB2 CYS 2 -1.393 3.550 -4.387
9 HB3 CYS 2 HB3 CYS 2 -0.836 2.207 -3.400
10 H CYS 3 H CYS 3 -1.941 5.025 -1.736
11 HA CYS 3 HA CYS 3 -0.439 3.763 0.257
12 HB2 CYS 3 HB2 CYS 3 -1.387 6.599 -0.067
13 HB3 CYS 3 HB3 CYS 3 -0.470 6.071 1.334
14 H SER 4 H SER 4 -3.648 4.108 -0.098
15 HA SER 4 HA SER 4 -4.103 3.526 2.745
16 HB2 SER 4 HB2 SER 4 -4.807 5.851 2.117
17 HB3 SER 4 HB3 SER 4 -5.911 5.161 0.934
18 HG SER 4 HG SER 4 -6.990 4.142 2.616
19 H HIS 5 H HIS 5 -3.603 1.777 0.474
20 HA HIS 5 HA HIS 5 -6.168 0.374 0.329
21 HB2 HIS 5 HB2 HIS 5 -5.722 1.593 -1.823
22 HB3 HIS 5 HB3 HIS 5 -4.187 0.730 -1.901
23 HD1 HIS 5 HD1 HIS 5 -4.470 -0.749 -3.915
24 HD2 HIS 5 HD2 HIS 5 -7.741 -0.856 -1.360
25 HE1 HIS 5 HE1 HIS 5 -6.024 -2.521 -4.834
26 HA PRO 6 HA PRO 6 -3.539 -2.544 2.546
27 HB2 PRO 6 HB2 PRO 6 -5.609 -4.289 1.274
28 HB3 PRO 6 HB3 PRO 6 -4.956 -4.343 2.917
29 HG2 PRO 6 HG2 PRO 6 -7.305 -3.206 2.459
30 HG3 PRO 6 HG3 PRO 6 -6.161 -2.486 3.603
31 HD2 PRO 6 HD2 PRO 6 -6.939 -1.564 0.888
32 HD3 PRO 6 HD3 PRO 6 -6.352 -0.632 2.275
33 H VAL 7 H VAL 7 -4.697 -3.365 -0.708
34 HA VAL 7 HA VAL 7 -2.809 -5.370 -1.251
35 HB VAL 7 HB VAL 7 -4.243 -3.568 -3.227
36 HG11 VAL 7 HG11 VAL 7 -2.953 -6.260 -3.661
37 HG12 VAL 7 HG12 VAL 7 -2.358 -4.718 -4.275
38 HG13 VAL 7 HG13 VAL 7 -3.894 -5.367 -4.855
39 HG21 VAL 7 HG21 VAL 7 -5.000 -6.272 -2.126
40 HG22 VAL 7 HG22 VAL 7 -5.861 -5.406 -3.397
41 HG23 VAL 7 HG23 VAL 7 -5.791 -4.737 -1.767
42 H CYS 8 H CYS 8 -2.640 -1.874 -1.773
43 HA CYS 8 HA CYS 8 -0.069 -2.129 -3.108
44 HB2 CYS 8 HB2 CYS 8 -1.445 0.406 -2.244
45 HB3 CYS 8 HB3 CYS 8 -0.174 0.221 -3.445
46 H SER 9 H SER 9 -1.445 -1.026 -0.025
47 HA SER 9 HA SER 9 0.836 0.060 1.027
48 HB2 SER 9 HB2 SER 9 -1.573 -1.117 2.399
49 HB3 SER 9 HB3 SER 9 -0.355 -0.117 3.195
50 HG SER 9 HG SER 9 -0.843 1.389 1.367
51 H ALA 10 H ALA 10 -0.100 -3.269 0.689
52 HA ALA 10 HA ALA 10 1.774 -4.274 2.641
53 HB1 ALA 10 HB1 ALA 10 -0.274 -5.526 2.038
54 HB2 ALA 10 HB2 ALA 10 1.189 -6.468 1.753
55 HB3 ALA 10 HB3 ALA 10 0.346 -5.714 0.398
56 H MET 11 H MET 11 1.655 -3.715 -0.785
57 HA MET 11 HA MET 11 4.103 -4.940 -1.492
58 HB2 MET 11 HB2 MET 11 2.432 -4.454 -3.192
59 HB3 MET 11 HB3 MET 11 2.528 -2.738 -2.839
60 HG2 MET 11 HG2 MET 11 3.681 -3.295 -4.911
61 HG3 MET 11 HG3 MET 11 4.797 -2.666 -3.702
62 HE1 MET 11 HE1 MET 11 5.700 -4.199 -6.341
63 HE2 MET 11 HE2 MET 11 6.993 -5.211 -5.692
64 HE3 MET 11 HE3 MET 11 6.810 -3.544 -5.141
65 H SER 12 H SER 12 3.246 -1.731 -0.705
66 HA SER 12 HA SER 12 5.977 -1.291 0.195
67 HB2 SER 12 HB2 SER 12 5.509 -0.293 -2.081
68 HB3 SER 12 HB3 SER 12 4.417 0.816 -1.253
69 HG SER 12 HG SER 12 7.158 0.494 -0.587
70 HA PRO 13 HA PRO 13 3.145 -0.163 3.530
71 HB2 PRO 13 HB2 PRO 13 5.201 -0.232 5.435
72 HB3 PRO 13 HB3 PRO 13 4.066 -1.530 5.081
73 HG2 PRO 13 HG2 PRO 13 6.874 -1.342 4.458
74 HG3 PRO 13 HG3 PRO 13 5.768 -2.729 4.259
75 HD2 PRO 13 HD2 PRO 13 6.869 -0.965 2.275
76 HD3 PRO 13 HD3 PRO 13 5.824 -2.378 2.043
77 H ILE 14 H ILE 14 5.905 1.278 2.343
78 HA ILE 14 HA ILE 14 6.012 3.595 3.956
79 HB ILE 14 HB ILE 14 6.887 3.293 1.063
80 HG12 ILE 14 HG12 ILE 14 8.464 2.982 3.624
81 HG13 ILE 14 HG13 ILE 14 7.960 1.680 2.558
82 HG21 ILE 14 HG21 ILE 14 7.721 5.375 3.098
83 HG22 ILE 14 HG22 ILE 14 6.679 5.657 1.706
84 HG23 ILE 14 HG23 ILE 14 8.369 5.210 1.465
85 HD11 ILE 14 HD11 ILE 14 10.294 2.219 2.247
86 HD12 ILE 14 HD12 ILE 14 9.876 3.892 1.872
87 HD13 ILE 14 HD13 ILE 14 9.374 2.593 0.789
88 H CYS 15 H CYS 15 4.194 2.591 1.433
89 HA CYS 15 HA CYS 15 2.839 5.157 1.029
90 HB2 CYS 15 HB2 CYS 15 3.605 3.862 -0.983
91 HB3 CYS 15 HB3 CYS 15 2.547 2.552 -0.503
92 HN1 NH2 16 HN1 NH2 16 1.696 5.222 2.941
93 HN2 NH2 16 HN2 NH2 16 0.419 4.131 3.339
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 -6.639 4.846 -3.411
2 H2 GLY 1 H2 GLY 1 -6.145 4.118 -4.835
3 H3 GLY 1 H3 GLY 1 -6.496 5.777 -4.825
4 HA2 GLY 1 HA2 GLY 1 -4.134 5.408 -4.863
5 HA3 GLY 1 HA3 GLY 1 -4.624 6.141 -3.342
6 H CYS 2 H CYS 2 -2.271 4.447 -3.980
7 HA CYS 2 HA CYS 2 -2.634 1.846 -3.129
8 HB2 CYS 2 HB2 CYS 2 -0.389 3.682 -3.520
9 HB3 CYS 2 HB3 CYS 2 -0.137 2.166 -2.671
10 H CYS 3 H CYS 3 -1.737 4.782 -1.372
11 HA CYS 3 HA CYS 3 -0.893 3.420 0.936
12 HB2 CYS 3 HB2 CYS 3 -1.794 6.266 0.587
13 HB3 CYS 3 HB3 CYS 3 -0.883 5.624 1.952
14 H SER 4 H SER 4 -3.852 4.125 -0.339
15 HA SER 4 HA SER 4 -5.269 3.755 2.224
16 HB2 SER 4 HB2 SER 4 -6.361 4.741 -0.414
17 HB3 SER 4 HB3 SER 4 -7.208 4.722 1.133
18 HG SER 4 HG SER 4 -5.865 6.264 1.905
19 H HIS 5 H HIS 5 -4.061 1.792 -0.025
20 HA HIS 5 HA HIS 5 -6.451 0.109 -0.042
21 HB2 HIS 5 HB2 HIS 5 -6.136 1.085 -2.281
22 HB3 HIS 5 HB3 HIS 5 -4.498 0.447 -2.336
23 HD1 HIS 5 HD1 HIS 5 -4.700 -1.264 -4.219
24 HD2 HIS 5 HD2 HIS 5 -7.771 -1.560 -1.431
25 HE1 HIS 5 HE1 HIS 5 -5.982 -3.349 -4.810
26 HA PRO 6 HA PRO 6 -3.784 -2.344 2.587
27 HB2 PRO 6 HB2 PRO 6 -5.713 -4.343 1.469
28 HB3 PRO 6 HB3 PRO 6 -5.110 -4.177 3.124
29 HG2 PRO 6 HG2 PRO 6 -7.493 -3.216 2.501
30 HG3 PRO 6 HG3 PRO 6 -6.403 -2.287 3.545
31 HD2 PRO 6 HD2 PRO 6 -7.161 -1.809 0.710
32 HD3 PRO 6 HD3 PRO 6 -6.689 -0.649 1.964
33 H VAL 7 H VAL 7 -4.599 -3.482 -0.669
34 HA VAL 7 HA VAL 7 -2.582 -5.485 -0.736
35 HB VAL 7 HB VAL 7 -3.906 -4.131 -3.103
36 HG11 VAL 7 HG11 VAL 7 -2.519 -6.804 -2.895
37 HG12 VAL 7 HG12 VAL 7 -1.908 -5.376 -3.725
38 HG13 VAL 7 HG13 VAL 7 -3.355 -6.189 -4.322
39 HG21 VAL 7 HG21 VAL 7 -5.471 -6.025 -3.082
40 HG22 VAL 7 HG22 VAL 7 -5.576 -5.071 -1.602
41 HG23 VAL 7 HG23 VAL 7 -4.723 -6.614 -1.599
42 H CYS 8 H CYS 8 -2.622 -2.097 -1.655
43 HA CYS 8 HA CYS 8 0.032 -2.395 -2.820
44 HB2 CYS 8 HB2 CYS 8 -1.883 -1.199 -4.016
45 HB3 CYS 8 HB3 CYS 8 -1.639 0.095 -2.847
46 H SER 9 H SER 9 -1.615 -1.058 -0.008
47 HA SER 9 HA SER 9 0.469 0.588 0.773
48 HB2 SER 9 HB2 SER 9 -0.660 0.488 3.022
49 HB3 SER 9 HB3 SER 9 -1.724 0.934 1.688
50 HG SER 9 HG SER 9 -1.861 -1.144 3.364
51 H ALA 10 H ALA 10 -0.193 -2.815 1.101
52 HA ALA 10 HA ALA 10 2.109 -3.264 2.824
53 HB1 ALA 10 HB1 ALA 10 0.266 -5.245 1.472
54 HB2 ALA 10 HB2 ALA 10 0.077 -4.633 3.114
55 HB3 ALA 10 HB3 ALA 10 1.477 -5.621 2.697
56 H MET 11 H MET 11 1.446 -2.958 -0.463
57 HA MET 11 HA MET 11 3.586 -4.604 -1.453
58 HB2 MET 11 HB2 MET 11 1.659 -3.956 -2.901
59 HB3 MET 11 HB3 MET 11 2.187 -2.282 -2.803
60 HG2 MET 11 HG2 MET 11 4.264 -2.877 -3.945
61 HG3 MET 11 HG3 MET 11 3.719 -4.549 -4.060
62 HE1 MET 11 HE1 MET 11 4.686 -2.930 -6.591
63 HE2 MET 11 HE2 MET 11 3.441 -3.362 -7.764
64 HE3 MET 11 HE3 MET 11 4.078 -4.584 -6.666
65 H SER 12 H SER 12 3.091 -1.266 -0.956
66 HA SER 12 HA SER 12 5.974 -0.986 -0.539
67 HB2 SER 12 HB2 SER 12 5.045 0.348 -2.483
68 HB3 SER 12 HB3 SER 12 4.111 1.266 -1.294
69 HG SER 12 HG SER 12 6.935 1.046 -1.420
70 HA PRO 13 HA PRO 13 3.846 -0.529 3.487
71 HB2 PRO 13 HB2 PRO 13 5.958 -1.360 4.997
72 HB3 PRO 13 HB3 PRO 13 4.810 -2.464 4.234
73 HG2 PRO 13 HG2 PRO 13 7.552 -1.679 3.362
74 HG3 PRO 13 HG3 PRO 13 6.734 -3.259 3.275
75 HD2 PRO 13 HD2 PRO 13 7.043 -1.568 1.159
76 HD3 PRO 13 HD3 PRO 13 5.726 -2.747 1.296
77 H ILE 14 H ILE 14 6.174 1.134 2.006
78 HA ILE 14 HA ILE 14 7.160 2.801 4.058
79 HB ILE 14 HB ILE 14 6.883 3.411 1.097
80 HG12 ILE 14 HG12 ILE 14 9.253 2.274 2.600
81 HG13 ILE 14 HG13 ILE 14 8.214 1.378 1.498
82 HG21 ILE 14 HG21 ILE 14 7.249 5.415 2.447
83 HG22 ILE 14 HG22 ILE 14 8.660 5.055 1.450
84 HG23 ILE 14 HG23 ILE 14 8.676 4.672 3.170
85 HD11 ILE 14 HD11 ILE 14 8.955 2.758 -0.354
86 HD12 ILE 14 HD12 ILE 14 10.346 2.043 0.473
87 HD13 ILE 14 HD13 ILE 14 9.929 3.730 0.746
88 H CYS 15 H CYS 15 4.465 2.661 2.138
89 HA CYS 15 HA CYS 15 3.254 4.931 3.550
90 HB2 CYS 15 HB2 CYS 15 4.018 5.534 1.201
91 HB3 CYS 15 HB3 CYS 15 2.816 4.393 0.619
92 HN1 NH2 16 HN1 NH2 16 2.171 3.477 4.844
93 HN2 NH2 16 HN2 NH2 16 0.943 2.397 4.285
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 -0.826 7.364 -4.512
2 H2 GLY 1 H2 GLY 1 -2.020 8.397 -5.027
3 H3 GLY 1 H3 GLY 1 -0.635 8.190 -5.982
4 HA2 GLY 1 HA2 GLY 1 -2.503 6.986 -6.915
5 HA3 GLY 1 HA3 GLY 1 -1.281 5.874 -6.301
6 H CYS 2 H CYS 2 -2.169 4.195 -5.131
7 HA CYS 2 HA CYS 2 -4.690 4.603 -3.876
8 HB2 CYS 2 HB2 CYS 2 -4.004 2.166 -3.153
9 HB3 CYS 2 HB3 CYS 2 -4.604 2.471 -4.811
10 H CYS 3 H CYS 3 -1.738 3.113 -2.802
11 HA CYS 3 HA CYS 3 -0.567 3.046 -0.905
12 HB2 CYS 3 HB2 CYS 3 -0.138 5.339 -1.438
13 HB3 CYS 3 HB3 CYS 3 -1.586 5.853 -0.583
14 H SER 4 H SER 4 -3.793 4.336 -0.207
15 HA SER 4 HA SER 4 -3.699 3.201 2.472
16 HB2 SER 4 HB2 SER 4 -4.502 5.549 2.017
17 HB3 SER 4 HB3 SER 4 -5.864 4.850 1.150
18 HG SER 4 HG SER 4 -6.342 3.706 3.121
19 H HIS 5 H HIS 5 -3.832 1.519 0.092
20 HA HIS 5 HA HIS 5 -6.396 0.161 0.610
21 HB2 HIS 5 HB2 HIS 5 -6.119 1.022 -1.768
22 HB3 HIS 5 HB3 HIS 5 -4.696 0.004 -1.917
23 HD1 HIS 5 HD1 HIS 5 -5.337 -1.944 -3.416
24 HD2 HIS 5 HD2 HIS 5 -8.409 -0.848 -0.822
25 HE1 HIS 5 HE1 HIS 5 -7.196 -3.561 -3.819
26 HA PRO 6 HA PRO 6 -3.957 -2.797 2.873
27 HB2 PRO 6 HB2 PRO 6 -5.672 -4.651 1.266
28 HB3 PRO 6 HB3 PRO 6 -5.202 -4.745 2.972
29 HG2 PRO 6 HG2 PRO 6 -7.577 -3.775 2.320
30 HG3 PRO 6 HG3 PRO 6 -6.618 -3.021 3.604
31 HD2 PRO 6 HD2 PRO 6 -7.200 -2.039 0.865
32 HD3 PRO 6 HD3 PRO 6 -6.820 -1.124 2.338
33 H VAL 7 H VAL 7 -4.506 -3.747 -0.525
34 HA VAL 7 HA VAL 7 -2.165 -5.365 -0.651
35 HB VAL 7 HB VAL 7 -3.627 -4.109 -2.985
36 HG11 VAL 7 HG11 VAL 7 -2.759 -6.007 -4.273
37 HG12 VAL 7 HG12 VAL 7 -1.912 -6.586 -2.843
38 HG13 VAL 7 HG13 VAL 7 -1.451 -5.051 -3.577
39 HG21 VAL 7 HG21 VAL 7 -5.198 -5.336 -1.593
40 HG22 VAL 7 HG22 VAL 7 -4.145 -6.752 -1.632
41 HG23 VAL 7 HG23 VAL 7 -4.921 -6.189 -3.112
42 H CYS 8 H CYS 8 -2.838 -2.024 -1.511
43 HA CYS 8 HA CYS 8 -0.323 -1.503 -2.687
44 HB2 CYS 8 HB2 CYS 8 -2.469 0.395 -1.645
45 HB3 CYS 8 HB3 CYS 8 -0.988 0.941 -2.401
46 H SER 9 H SER 9 -1.682 -1.139 0.540
47 HA SER 9 HA SER 9 0.447 0.187 1.693
48 HB2 SER 9 HB2 SER 9 -1.542 -1.673 2.986
49 HB3 SER 9 HB3 SER 9 -0.594 -0.428 3.805
50 HG SER 9 HG SER 9 -1.684 0.971 2.057
51 H ALA 10 H ALA 10 0.000 -3.091 0.757
52 HA ALA 10 HA ALA 10 2.045 -4.170 2.497
53 HB1 ALA 10 HB1 ALA 10 0.481 -5.456 0.270
54 HB2 ALA 10 HB2 ALA 10 0.085 -5.529 1.988
55 HB3 ALA 10 HB3 ALA 10 1.559 -6.292 1.384
56 H MET 11 H MET 11 1.604 -3.390 -0.930
57 HA MET 11 HA MET 11 4.161 -4.403 -1.650
58 HB2 MET 11 HB2 MET 11 3.858 -3.344 -3.846
59 HB3 MET 11 HB3 MET 11 2.422 -4.231 -3.377
60 HG2 MET 11 HG2 MET 11 1.436 -2.107 -2.626
61 HG3 MET 11 HG3 MET 11 2.827 -1.258 -3.264
62 HE1 MET 11 HE1 MET 11 0.957 -4.398 -4.825
63 HE2 MET 11 HE2 MET 11 -0.198 -3.589 -5.880
64 HE3 MET 11 HE3 MET 11 -0.324 -3.404 -4.131
65 H SER 12 H SER 12 3.028 -1.416 -0.558
66 HA SER 12 HA SER 12 5.800 -0.631 -0.211
67 HB2 SER 12 HB2 SER 12 4.639 0.612 -2.078
68 HB3 SER 12 HB3 SER 12 3.601 1.301 -0.828
69 HG SER 12 HG SER 12 6.399 1.569 -1.063
70 HA PRO 13 HA PRO 13 3.545 -0.478 3.777
71 HB2 PRO 13 HB2 PRO 13 5.549 -1.473 5.311
72 HB3 PRO 13 HB3 PRO 13 4.445 -2.515 4.412
73 HG2 PRO 13 HG2 PRO 13 7.245 -1.726 3.772
74 HG3 PRO 13 HG3 PRO 13 6.417 -3.272 3.505
75 HD2 PRO 13 HD2 PRO 13 6.864 -1.356 1.561
76 HD3 PRO 13 HD3 PRO 13 5.609 -2.606 1.477
77 H ILE 14 H ILE 14 5.975 1.097 2.344
78 HA ILE 14 HA ILE 14 6.807 2.642 4.613
79 HB ILE 14 HB ILE 14 7.675 2.896 1.703
80 HG12 ILE 14 HG12 ILE 14 9.047 1.495 4.011
81 HG13 ILE 14 HG13 ILE 14 8.189 0.689 2.706
82 HG21 ILE 14 HG21 ILE 14 8.929 4.007 4.227
83 HG22 ILE 14 HG22 ILE 14 8.098 4.945 2.984
84 HG23 ILE 14 HG23 ILE 14 9.613 4.126 2.605
85 HD11 ILE 14 HD11 ILE 14 10.667 2.368 2.436
86 HD12 ILE 14 HD12 ILE 14 9.811 1.577 1.112
87 HD13 ILE 14 HD13 ILE 14 10.583 0.608 2.366
88 H CYS 15 H CYS 15 4.502 2.562 2.371
89 HA CYS 15 HA CYS 15 3.864 5.417 2.622
90 HB2 CYS 15 HB2 CYS 15 4.064 4.519 0.248
91 HB3 CYS 15 HB3 CYS 15 2.663 3.509 0.582
92 HN1 NH2 16 HN1 NH2 16 1.979 2.429 2.118
93 HN2 NH2 16 HN2 NH2 16 0.883 2.739 3.421
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 -6.123 6.195 -1.712
2 H2 GLY 1 H2 GLY 1 -7.231 5.259 -2.554
3 H3 GLY 1 H3 GLY 1 -6.959 6.889 -2.998
4 HA2 GLY 1 HA2 GLY 1 -5.849 5.333 -4.505
5 HA3 GLY 1 HA3 GLY 1 -4.722 6.379 -3.645
6 H CYS 2 H CYS 2 -3.216 4.557 -4.224
7 HA CYS 2 HA CYS 2 -3.631 2.032 -3.091
8 HB2 CYS 2 HB2 CYS 2 -1.611 3.386 -4.647
9 HB3 CYS 2 HB3 CYS 2 -1.005 2.142 -3.573
10 H CYS 3 H CYS 3 -2.021 4.922 -1.955
11 HA CYS 3 HA CYS 3 -0.585 3.593 0.060
12 HB2 CYS 3 HB2 CYS 3 -1.295 6.469 -0.332
13 HB3 CYS 3 HB3 CYS 3 -0.288 5.863 0.981
14 H SER 4 H SER 4 -3.702 4.034 -0.277
15 HA SER 4 HA SER 4 -4.191 3.581 2.569
16 HB2 SER 4 HB2 SER 4 -6.366 4.853 2.279
17 HB3 SER 4 HB3 SER 4 -4.911 5.838 2.212
18 HG SER 4 HG SER 4 -5.303 6.332 0.268
19 H HIS 5 H HIS 5 -3.739 1.767 0.383
20 HA HIS 5 HA HIS 5 -6.322 0.405 0.340
21 HB2 HIS 5 HB2 HIS 5 -5.931 1.487 -1.870
22 HB3 HIS 5 HB3 HIS 5 -4.392 0.643 -1.966
23 HD1 HIS 5 HD1 HIS 5 -8.115 -0.189 -1.924
24 HD2 HIS 5 HD2 HIS 5 -4.463 -1.746 -3.123
25 HE1 HIS 5 HE1 HIS 5 -8.629 -2.346 -3.121
26 HA PRO 6 HA PRO 6 -4.190 -2.680 2.647
27 HB2 PRO 6 HB2 PRO 6 -5.786 -4.394 0.785
28 HB3 PRO 6 HB3 PRO 6 -5.501 -4.597 2.519
29 HG2 PRO 6 HG2 PRO 6 -7.756 -3.499 1.671
30 HG3 PRO 6 HG3 PRO 6 -6.921 -2.857 3.095
31 HD2 PRO 6 HD2 PRO 6 -7.175 -1.691 0.384
32 HD3 PRO 6 HD3 PRO 6 -6.899 -0.886 1.941
33 H VAL 7 H VAL 7 -4.484 -3.833 -0.752
34 HA VAL 7 HA VAL 7 -2.098 -5.335 -0.455
35 HB VAL 7 HB VAL 7 -3.878 -6.047 -1.999
36 HG11 VAL 7 HG11 VAL 7 -4.551 -3.975 -2.961
37 HG12 VAL 7 HG12 VAL 7 -4.035 -5.071 -4.247
38 HG13 VAL 7 HG13 VAL 7 -2.974 -3.768 -3.716
39 HG21 VAL 7 HG21 VAL 7 -1.184 -5.683 -3.301
40 HG22 VAL 7 HG22 VAL 7 -2.433 -6.797 -3.851
41 HG23 VAL 7 HG23 VAL 7 -1.690 -7.022 -2.270
42 H CYS 8 H CYS 8 -2.656 -2.122 -1.782
43 HA CYS 8 HA CYS 8 -0.075 -2.024 -3.014
44 HB2 CYS 8 HB2 CYS 8 -1.744 0.338 -2.169
45 HB3 CYS 8 HB3 CYS 8 -0.445 0.283 -3.353
46 H SER 9 H SER 9 -1.498 -0.931 0.054
47 HA SER 9 HA SER 9 0.783 0.337 0.963
48 HB2 SER 9 HB2 SER 9 -1.538 -0.810 2.499
49 HB3 SER 9 HB3 SER 9 -0.380 0.371 3.123
50 HG SER 9 HG SER 9 -1.307 1.254 0.802
51 H ALA 10 H ALA 10 0.070 -2.932 0.558
52 HA ALA 10 HA ALA 10 1.884 -3.908 2.619
53 HB1 ALA 10 HB1 ALA 10 0.349 -5.377 0.470
54 HB2 ALA 10 HB2 ALA 10 -0.160 -5.189 2.147
55 HB3 ALA 10 HB3 ALA 10 1.282 -6.131 1.762
56 H MET 11 H MET 11 1.618 -3.579 -0.874
57 HA MET 11 HA MET 11 4.106 -4.744 -1.550
58 HB2 MET 11 HB2 MET 11 2.497 -2.647 -3.021
59 HB3 MET 11 HB3 MET 11 3.892 -3.475 -3.696
60 HG2 MET 11 HG2 MET 11 1.331 -4.790 -2.822
61 HG3 MET 11 HG3 MET 11 1.763 -4.400 -4.484
62 HE1 MET 11 HE1 MET 11 1.301 -6.935 -5.185
63 HE2 MET 11 HE2 MET 11 0.856 -7.289 -3.519
64 HE3 MET 11 HE3 MET 11 2.019 -8.317 -4.359
65 H SER 12 H SER 12 3.127 -1.573 -0.841
66 HA SER 12 HA SER 12 5.893 -0.948 -0.190
67 HB2 SER 12 HB2 SER 12 5.058 0.193 -2.268
68 HB3 SER 12 HB3 SER 12 3.905 1.050 -1.247
69 HG SER 12 HG SER 12 6.693 1.228 -1.325
70 HA PRO 13 HA PRO 13 3.317 -0.425 3.529
71 HB2 PRO 13 HB2 PRO 13 5.203 -1.196 5.309
72 HB3 PRO 13 HB3 PRO 13 4.208 -2.353 4.419
73 HG2 PRO 13 HG2 PRO 13 7.032 -1.521 3.942
74 HG3 PRO 13 HG3 PRO 13 6.272 -3.118 3.759
75 HD2 PRO 13 HD2 PRO 13 6.838 -1.380 1.695
76 HD3 PRO 13 HD3 PRO 13 5.620 -2.670 1.622
77 H ILE 14 H ILE 14 5.781 1.140 2.195
78 HA ILE 14 HA ILE 14 6.462 2.908 4.335
79 HB ILE 14 HB ILE 14 7.132 3.201 1.381
80 HG12 ILE 14 HG12 ILE 14 8.786 1.847 3.527
81 HG13 ILE 14 HG13 ILE 14 7.850 0.995 2.307
82 HG21 ILE 14 HG21 ILE 14 8.520 4.294 3.840
83 HG22 ILE 14 HG22 ILE 14 7.511 5.224 2.735
84 HG23 ILE 14 HG23 ILE 14 9.033 4.535 2.168
85 HD11 ILE 14 HD11 ILE 14 9.235 2.009 0.562
86 HD12 ILE 14 HD12 ILE 14 10.187 1.067 1.707
87 HD13 ILE 14 HD13 ILE 14 10.183 2.830 1.804
88 H CYS 15 H CYS 15 4.114 2.563 2.097
89 HA CYS 15 HA CYS 15 2.964 5.189 2.642
90 HB2 CYS 15 HB2 CYS 15 4.345 5.106 0.452
91 HB3 CYS 15 HB3 CYS 15 3.034 4.094 -0.139
92 HN1 NH2 16 HN1 NH2 16 1.488 3.989 3.878
93 HN2 NH2 16 HN2 NH2 16 0.285 2.956 3.183
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 -0.524 6.724 -4.443
2 H2 GLY 1 H2 GLY 1 -1.581 8.013 -4.279
3 H3 GLY 1 H3 GLY 1 -0.542 7.946 -5.609
4 HA2 GLY 1 HA2 GLY 1 -2.758 7.340 -6.268
5 HA3 GLY 1 HA3 GLY 1 -1.667 5.964 -6.383
6 H CYS 2 H CYS 2 -1.887 4.236 -4.871
7 HA CYS 2 HA CYS 2 -4.485 4.037 -3.716
8 HB2 CYS 2 HB2 CYS 2 -3.359 1.818 -3.034
9 HB3 CYS 2 HB3 CYS 2 -3.878 2.045 -4.713
10 H CYS 3 H CYS 3 -1.338 3.233 -2.519
11 HA CYS 3 HA CYS 3 -0.249 3.361 -0.606
12 HB2 CYS 3 HB2 CYS 3 -0.413 5.713 -1.025
13 HB3 CYS 3 HB3 CYS 3 -1.937 5.799 -0.150
14 H SER 4 H SER 4 -3.529 4.292 0.491
15 HA SER 4 HA SER 4 -3.135 2.579 2.819
16 HB2 SER 4 HB2 SER 4 -3.971 4.926 3.080
17 HB3 SER 4 HB3 SER 4 -5.409 4.485 2.167
18 HG SER 4 HG SER 4 -5.981 3.079 3.798
19 H HIS 5 H HIS 5 -3.766 1.745 -0.008
20 HA HIS 5 HA HIS 5 -6.336 0.350 0.230
21 HB2 HIS 5 HB2 HIS 5 -5.649 1.407 -1.960
22 HB3 HIS 5 HB3 HIS 5 -4.259 0.339 -1.994
23 HD1 HIS 5 HD1 HIS 5 -4.585 -1.797 -3.357
24 HD2 HIS 5 HD2 HIS 5 -8.181 -0.088 -2.114
25 HE1 HIS 5 HE1 HIS 5 -6.399 -3.106 -4.473
26 HA PRO 6 HA PRO 6 -4.422 -3.072 2.328
27 HB2 PRO 6 HB2 PRO 6 -6.086 -4.769 0.526
28 HB3 PRO 6 HB3 PRO 6 -5.915 -4.831 2.278
29 HG2 PRO 6 HG2 PRO 6 -8.084 -3.734 1.143
30 HG3 PRO 6 HG3 PRO 6 -7.393 -3.099 2.642
31 HD2 PRO 6 HD2 PRO 6 -7.318 -1.970 -0.100
32 HD3 PRO 6 HD3 PRO 6 -7.240 -1.149 1.470
33 H VAL 7 H VAL 7 -5.041 -4.020 -1.076
34 HA VAL 7 HA VAL 7 -2.339 -5.010 -1.192
35 HB VAL 7 HB VAL 7 -4.361 -4.856 -3.467
36 HG11 VAL 7 HG11 VAL 7 -2.917 -6.524 -4.562
37 HG12 VAL 7 HG12 VAL 7 -1.796 -6.436 -3.207
38 HG13 VAL 7 HG13 VAL 7 -2.043 -5.028 -4.238
39 HG21 VAL 7 HG21 VAL 7 -4.791 -7.216 -3.064
40 HG22 VAL 7 HG22 VAL 7 -5.136 -6.290 -1.597
41 HG23 VAL 7 HG23 VAL 7 -3.645 -7.214 -1.731
42 H CYS 8 H CYS 8 -1.554 -3.037 -0.630
43 HA CYS 8 HA CYS 8 -0.076 -1.792 -2.603
44 HB2 CYS 8 HB2 CYS 8 -2.185 -0.571 -3.224
45 HB3 CYS 8 HB3 CYS 8 -2.272 0.040 -1.572
46 H SER 9 H SER 9 -1.676 -1.184 0.566
47 HA SER 9 HA SER 9 0.406 0.184 1.717
48 HB2 SER 9 HB2 SER 9 -1.433 -1.767 3.097
49 HB3 SER 9 HB3 SER 9 -0.581 -0.403 3.826
50 HG SER 9 HG SER 9 -1.798 0.841 2.135
51 H ALA 10 H ALA 10 -0.252 -3.224 1.290
52 HA ALA 10 HA ALA 10 1.928 -4.242 2.826
53 HB1 ALA 10 HB1 ALA 10 1.331 -6.371 1.775
54 HB2 ALA 10 HB2 ALA 10 0.231 -5.522 0.690
55 HB3 ALA 10 HB3 ALA 10 -0.091 -5.551 2.423
56 H MET 11 H MET 11 1.529 -3.018 -0.352
57 HA MET 11 HA MET 11 3.874 -4.377 -1.363
58 HB2 MET 11 HB2 MET 11 2.086 -2.352 -2.702
59 HB3 MET 11 HB3 MET 11 3.434 -3.167 -3.482
60 HG2 MET 11 HG2 MET 11 0.953 -4.464 -2.391
61 HG3 MET 11 HG3 MET 11 1.330 -4.201 -4.090
62 HE1 MET 11 HE1 MET 11 1.609 -8.063 -3.792
63 HE2 MET 11 HE2 MET 11 0.905 -6.709 -4.676
64 HE3 MET 11 HE3 MET 11 0.453 -6.997 -2.995
65 H SER 12 H SER 12 2.906 -1.282 -0.363
66 HA SER 12 HA SER 12 5.722 -0.633 -0.102
67 HB2 SER 12 HB2 SER 12 4.627 0.450 -2.105
68 HB3 SER 12 HB3 SER 12 3.687 1.394 -0.950
69 HG SER 12 HG SER 12 6.294 1.644 -1.682
70 HA PRO 13 HA PRO 13 3.640 0.264 3.871
71 HB2 PRO 13 HB2 PRO 13 5.640 -0.708 5.446
72 HB3 PRO 13 HB3 PRO 13 4.363 -1.736 4.796
73 HG2 PRO 13 HG2 PRO 13 7.172 -1.414 3.905
74 HG3 PRO 13 HG3 PRO 13 6.139 -2.860 3.892
75 HD2 PRO 13 HD2 PRO 13 6.728 -1.271 1.699
76 HD3 PRO 13 HD3 PRO 13 5.348 -2.380 1.815
77 H ILE 14 H ILE 14 6.104 1.299 2.108
78 HA ILE 14 HA ILE 14 7.478 3.058 3.857
79 HB ILE 14 HB ILE 14 7.283 3.170 0.828
80 HG12 ILE 14 HG12 ILE 14 9.341 1.745 2.529
81 HG13 ILE 14 HG13 ILE 14 8.065 0.964 1.609
82 HG21 ILE 14 HG21 ILE 14 9.379 4.288 2.688
83 HG22 ILE 14 HG22 ILE 14 8.185 5.221 1.786
84 HG23 ILE 14 HG23 ILE 14 9.445 4.334 0.927
85 HD11 ILE 14 HD11 ILE 14 10.339 2.576 0.467
86 HD12 ILE 14 HD12 ILE 14 9.058 1.802 -0.466
87 HD13 ILE 14 HD13 ILE 14 10.195 0.817 0.455
88 H CYS 15 H CYS 15 4.618 3.037 2.275
89 HA CYS 15 HA CYS 15 4.276 5.940 2.211
90 HB2 CYS 15 HB2 CYS 15 3.460 4.469 0.296
91 HB3 CYS 15 HB3 CYS 15 2.218 3.878 1.391
92 HN1 NH2 16 HN1 NH2 16 4.182 6.452 4.349
93 HN2 NH2 16 HN2 NH2 16 2.920 5.966 5.421
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 -5.942 7.832 -3.689
2 H2 GLY 1 H2 GLY 1 -6.722 6.424 -3.170
3 H3 GLY 1 H3 GLY 1 -5.699 6.362 -4.504
4 HA2 GLY 1 HA2 GLY 1 -3.817 6.890 -3.093
5 HA3 GLY 1 HA3 GLY 1 -4.914 6.917 -1.718
6 H CYS 2 H CYS 2 -3.270 4.945 -4.029
7 HA CYS 2 HA CYS 2 -4.501 2.447 -3.473
8 HB2 CYS 2 HB2 CYS 2 -2.866 3.206 -5.351
9 HB3 CYS 2 HB3 CYS 2 -1.659 2.747 -4.167
10 H CYS 3 H CYS 3 -1.860 4.238 -2.117
11 HA CYS 3 HA CYS 3 -0.896 2.173 -0.470
12 HB2 CYS 3 HB2 CYS 3 -0.521 5.149 -0.255
13 HB3 CYS 3 HB3 CYS 3 0.390 3.918 0.608
14 H SER 4 H SER 4 -3.570 4.075 -0.308
15 HA SER 4 HA SER 4 -3.959 3.794 2.595
16 HB2 SER 4 HB2 SER 4 -5.820 4.983 0.517
17 HB3 SER 4 HB3 SER 4 -6.007 5.087 2.267
18 HG SER 4 HG SER 4 -3.588 5.944 1.308
19 H HIS 5 H HIS 5 -3.952 1.657 0.312
20 HA HIS 5 HA HIS 5 -6.255 0.210 1.315
21 HB2 HIS 5 HB2 HIS 5 -6.863 1.362 -0.861
22 HB3 HIS 5 HB3 HIS 5 -5.592 0.443 -1.643
23 HD1 HIS 5 HD1 HIS 5 -6.803 -1.260 -3.083
24 HD2 HIS 5 HD2 HIS 5 -8.545 -0.823 0.667
25 HE1 HIS 5 HE1 HIS 5 -8.615 -2.996 -2.939
26 HA PRO 6 HA PRO 6 -3.407 -3.095 2.269
27 HB2 PRO 6 HB2 PRO 6 -5.491 -4.490 0.636
28 HB3 PRO 6 HB3 PRO 6 -4.644 -5.069 2.078
29 HG2 PRO 6 HG2 PRO 6 -7.061 -3.961 2.290
30 HG3 PRO 6 HG3 PRO 6 -5.803 -3.652 3.497
31 HD2 PRO 6 HD2 PRO 6 -6.958 -1.829 1.511
32 HD3 PRO 6 HD3 PRO 6 -6.011 -1.448 2.964
33 H VAL 7 H VAL 7 -4.648 -3.166 -1.077
34 HA VAL 7 HA VAL 7 -2.779 -4.871 -2.183
35 HB VAL 7 HB VAL 7 -3.317 -3.922 -4.405
36 HG11 VAL 7 HG11 VAL 7 -5.721 -4.393 -4.358
37 HG12 VAL 7 HG12 VAL 7 -5.695 -4.302 -2.597
38 HG13 VAL 7 HG13 VAL 7 -4.799 -5.573 -3.429
39 HG21 VAL 7 HG21 VAL 7 -4.912 -1.893 -2.842
40 HG22 VAL 7 HG22 VAL 7 -4.951 -2.115 -4.593
41 HG23 VAL 7 HG23 VAL 7 -3.471 -1.563 -3.808
42 H CYS 8 H CYS 8 -2.411 -1.347 -1.859
43 HA CYS 8 HA CYS 8 0.326 -1.743 -2.791
44 HB2 CYS 8 HB2 CYS 8 -1.282 0.792 -2.550
45 HB3 CYS 8 HB3 CYS 8 0.435 0.774 -2.940
46 H SER 9 H SER 9 -1.544 -0.953 -0.010
47 HA SER 9 HA SER 9 0.438 0.283 1.471
48 HB2 SER 9 HB2 SER 9 -1.952 0.385 2.039
49 HB3 SER 9 HB3 SER 9 -1.920 -1.321 2.473
50 HG SER 9 HG SER 9 -1.735 -0.117 4.288
51 H ALA 10 H ALA 10 -0.333 -3.144 1.022
52 HA ALA 10 HA ALA 10 1.726 -3.937 2.922
53 HB1 ALA 10 HB1 ALA 10 1.012 -6.224 2.452
54 HB2 ALA 10 HB2 ALA 10 -0.031 -5.642 1.155
55 HB3 ALA 10 HB3 ALA 10 -0.382 -5.211 2.830
56 H MET 11 H MET 11 1.529 -3.046 -0.219
57 HA MET 11 HA MET 11 3.646 -4.726 -1.260
58 HB2 MET 11 HB2 MET 11 1.809 -3.942 -2.740
59 HB3 MET 11 HB3 MET 11 2.296 -2.289 -2.420
60 HG2 MET 11 HG2 MET 11 4.386 -2.645 -3.579
61 HG3 MET 11 HG3 MET 11 3.977 -4.342 -3.839
62 HE1 MET 11 HE1 MET 11 3.637 -2.785 -7.445
63 HE2 MET 11 HE2 MET 11 4.473 -3.979 -6.446
64 HE3 MET 11 HE3 MET 11 4.784 -2.261 -6.214
65 H SER 12 H SER 12 3.136 -1.437 -0.492
66 HA SER 12 HA SER 12 5.945 -1.201 0.204
67 HB2 SER 12 HB2 SER 12 5.405 -0.203 -2.025
68 HB3 SER 12 HB3 SER 12 4.367 0.943 -1.198
69 HG SER 12 HG SER 12 7.150 0.700 -1.121
70 HA PRO 13 HA PRO 13 3.409 0.305 3.721
71 HB2 PRO 13 HB2 PRO 13 5.112 -0.531 5.665
72 HB3 PRO 13 HB3 PRO 13 3.935 -1.616 4.917
73 HG2 PRO 13 HG2 PRO 13 6.865 -1.354 4.400
74 HG3 PRO 13 HG3 PRO 13 5.861 -2.812 4.462
75 HD2 PRO 13 HD2 PRO 13 6.682 -1.596 2.146
76 HD3 PRO 13 HD3 PRO 13 5.230 -2.607 2.274
77 H ILE 14 H ILE 14 6.117 1.130 2.228
78 HA ILE 14 HA ILE 14 7.237 3.068 4.005
79 HB ILE 14 HB ILE 14 7.700 2.707 1.030
80 HG12 ILE 14 HG12 ILE 14 9.250 1.442 3.298
81 HG13 ILE 14 HG13 ILE 14 8.072 0.599 2.303
82 HG21 ILE 14 HG21 ILE 14 8.562 4.816 1.889
83 HG22 ILE 14 HG22 ILE 14 9.895 3.740 1.471
84 HG23 ILE 14 HG23 ILE 14 9.436 3.961 3.158
85 HD11 ILE 14 HD11 ILE 14 10.658 1.815 1.362
86 HD12 ILE 14 HD12 ILE 14 9.467 1.026 0.329
87 HD13 ILE 14 HD13 ILE 14 10.314 0.095 1.564
88 H CYS 15 H CYS 15 4.897 2.762 1.758
89 HA CYS 15 HA CYS 15 4.693 5.549 0.932
90 HB2 CYS 15 HB2 CYS 15 4.376 3.666 -0.707
91 HB3 CYS 15 HB3 CYS 15 2.933 3.210 0.177
92 HN1 NH2 16 HN1 NH2 16 3.985 6.665 2.660
93 HN2 NH2 16 HN2 NH2 16 2.506 6.375 3.501
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 -6.882 6.485 -2.184
2 H2 GLY 1 H2 GLY 1 -6.057 7.909 -1.742
3 H3 GLY 1 H3 GLY 1 -5.665 6.418 -1.045
4 HA2 GLY 1 HA2 GLY 1 -5.344 6.966 -3.912
5 HA3 GLY 1 HA3 GLY 1 -4.050 7.057 -2.720
6 H CYS 2 H CYS 2 -2.913 5.326 -3.673
7 HA CYS 2 HA CYS 2 -4.247 2.725 -3.889
8 HB2 CYS 2 HB2 CYS 2 -2.276 3.773 -5.404
9 HB3 CYS 2 HB3 CYS 2 -1.323 3.098 -4.085
10 H CYS 3 H CYS 3 -1.618 4.321 -2.147
11 HA CYS 3 HA CYS 3 -0.847 2.082 -0.639
12 HB2 CYS 3 HB2 CYS 3 -0.292 4.995 -0.225
13 HB3 CYS 3 HB3 CYS 3 0.524 3.661 0.577
14 H SER 4 H SER 4 -3.397 4.139 -0.295
15 HA SER 4 HA SER 4 -3.705 3.783 2.570
16 HB2 SER 4 HB2 SER 4 -5.902 4.970 2.106
17 HB3 SER 4 HB3 SER 4 -4.443 5.871 1.677
18 HG SER 4 HG SER 4 -6.229 4.481 -0.008
19 H HIS 5 H HIS 5 -4.007 1.795 0.020
20 HA HIS 5 HA HIS 5 -6.365 0.431 1.038
21 HB2 HIS 5 HB2 HIS 5 -6.843 1.489 -1.136
22 HB3 HIS 5 HB3 HIS 5 -5.440 0.706 -1.842
23 HD1 HIS 5 HD1 HIS 5 -8.718 -0.330 -0.207
24 HD2 HIS 5 HD2 HIS 5 -6.051 -1.524 -3.134
25 HE1 HIS 5 HE1 HIS 5 -9.673 -2.449 -1.182
26 HA PRO 6 HA PRO 6 -3.994 -2.931 2.582
27 HB2 PRO 6 HB2 PRO 6 -5.710 -4.407 0.650
28 HB3 PRO 6 HB3 PRO 6 -5.300 -4.823 2.314
29 HG2 PRO 6 HG2 PRO 6 -7.605 -3.543 1.581
30 HG3 PRO 6 HG3 PRO 6 -6.872 -3.415 3.185
31 HD2 PRO 6 HD2 PRO 6 -7.207 -1.374 1.214
32 HD3 PRO 6 HD3 PRO 6 -6.432 -1.215 2.801
33 H VAL 7 H VAL 7 -4.605 -3.539 -0.880
34 HA VAL 7 HA VAL 7 -2.371 -5.188 -1.170
35 HB VAL 7 HB VAL 7 -4.267 -5.345 -2.691
36 HG11 VAL 7 HG11 VAL 7 -3.382 -2.709 -3.821
37 HG12 VAL 7 HG12 VAL 7 -4.855 -3.046 -2.910
38 HG13 VAL 7 HG13 VAL 7 -4.628 -3.760 -4.510
39 HG21 VAL 7 HG21 VAL 7 -1.704 -4.700 -4.130
40 HG22 VAL 7 HG22 VAL 7 -3.067 -5.599 -4.809
41 HG23 VAL 7 HG23 VAL 7 -2.167 -6.255 -3.444
42 H CYS 8 H CYS 8 -2.620 -1.692 -1.797
43 HA CYS 8 HA CYS 8 0.075 -1.691 -2.873
44 HB2 CYS 8 HB2 CYS 8 -1.468 0.780 -2.101
45 HB3 CYS 8 HB3 CYS 8 -0.274 0.614 -3.374
46 H SER 9 H SER 9 -1.642 -1.117 0.121
47 HA SER 9 HA SER 9 0.277 0.246 1.522
48 HB2 SER 9 HB2 SER 9 -1.726 -1.761 2.571
49 HB3 SER 9 HB3 SER 9 -0.921 -0.503 3.513
50 HG SER 9 HG SER 9 -1.962 1.048 2.242
51 H ALA 10 H ALA 10 -0.273 -3.187 0.949
52 HA ALA 10 HA ALA 10 1.804 -4.144 2.666
53 HB1 ALA 10 HB1 ALA 10 0.416 -5.547 0.388
54 HB2 ALA 10 HB2 ALA 10 -0.168 -5.494 2.046
55 HB3 ALA 10 HB3 ALA 10 1.354 -6.310 1.674
56 H MET 11 H MET 11 1.475 -3.516 -0.785
57 HA MET 11 HA MET 11 3.975 -4.532 -1.543
58 HB2 MET 11 HB2 MET 11 2.218 -4.068 -3.188
59 HB3 MET 11 HB3 MET 11 2.360 -2.349 -2.857
60 HG2 MET 11 HG2 MET 11 3.480 -2.956 -4.928
61 HG3 MET 11 HG3 MET 11 4.625 -2.342 -3.735
62 HE1 MET 11 HE1 MET 11 6.763 -4.963 -5.688
63 HE2 MET 11 HE2 MET 11 6.668 -3.301 -5.106
64 HE3 MET 11 HE3 MET 11 5.543 -3.869 -6.339
65 H SER 12 H SER 12 3.030 -1.380 -0.605
66 HA SER 12 HA SER 12 5.837 -0.885 0.007
67 HB2 SER 12 HB2 SER 12 5.053 0.300 -2.062
68 HB3 SER 12 HB3 SER 12 3.966 1.204 -1.006
69 HG SER 12 HG SER 12 6.729 1.349 -1.202
70 HA PRO 13 HA PRO 13 3.438 -0.084 3.768
71 HB2 PRO 13 HB2 PRO 13 5.441 -0.844 5.492
72 HB3 PRO 13 HB3 PRO 13 4.247 -1.956 4.825
73 HG2 PRO 13 HG2 PRO 13 7.095 -1.625 4.131
74 HG3 PRO 13 HG3 PRO 13 6.033 -3.029 3.938
75 HD2 PRO 13 HD2 PRO 13 6.856 -1.242 1.926
76 HD3 PRO 13 HD3 PRO 13 5.595 -2.480 1.790
77 H ILE 14 H ILE 14 6.147 1.134 2.355
78 HA ILE 14 HA ILE 14 6.918 3.044 4.343
79 HB ILE 14 HB ILE 14 7.595 2.990 1.389
80 HG12 ILE 14 HG12 ILE 14 9.188 1.823 3.678
81 HG13 ILE 14 HG13 ILE 14 8.197 0.877 2.575
82 HG21 ILE 14 HG21 ILE 14 9.567 4.303 2.033
83 HG22 ILE 14 HG22 ILE 14 9.005 4.324 3.704
84 HG23 ILE 14 HG23 ILE 14 8.069 5.138 2.450
85 HD11 ILE 14 HD11 ILE 14 9.611 1.624 0.713
86 HD12 ILE 14 HD12 ILE 14 10.507 0.747 1.946
87 HD13 ILE 14 HD13 ILE 14 10.622 2.508 1.857
88 H CYS 15 H CYS 15 4.979 2.699 1.753
89 HA CYS 15 HA CYS 15 4.290 5.498 1.357
90 HB2 CYS 15 HB2 CYS 15 4.731 3.990 -0.592
91 HB3 CYS 15 HB3 CYS 15 3.332 3.041 -0.123
92 HN1 NH2 16 HN1 NH2 16 2.525 2.432 1.858
93 HN2 NH2 16 HN2 NH2 16 1.227 3.135 2.750
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 -1.082 8.203 -5.607
2 H2 GLY 1 H2 GLY 1 0.527 8.596 -5.249
3 H3 GLY 1 H3 GLY 1 -0.645 8.509 -4.018
4 HA2 GLY 1 HA2 GLY 1 0.203 6.232 -5.679
5 HA3 GLY 1 HA3 GLY 1 0.745 6.537 -4.032
6 H CYS 2 H CYS 2 -0.386 4.181 -4.115
7 HA CYS 2 HA CYS 2 -3.200 4.271 -3.912
8 HB2 CYS 2 HB2 CYS 2 -2.788 1.924 -3.170
9 HB3 CYS 2 HB3 CYS 2 -2.175 2.320 -4.782
10 H CYS 3 H CYS 3 -0.690 3.292 -1.690
11 HA CYS 3 HA CYS 3 -0.259 3.529 0.465
12 HB2 CYS 3 HB2 CYS 3 -0.292 5.856 -0.171
13 HB3 CYS 3 HB3 CYS 3 -1.992 5.958 0.269
14 H SER 4 H SER 4 -3.749 4.331 0.248
15 HA SER 4 HA SER 4 -4.075 2.960 2.800
16 HB2 SER 4 HB2 SER 4 -5.003 5.259 2.528
17 HB3 SER 4 HB3 SER 4 -6.071 4.656 1.268
18 HG SER 4 HG SER 4 -6.278 3.165 3.522
19 H HIS 5 H HIS 5 -4.007 1.959 -0.237
20 HA HIS 5 HA HIS 5 -6.433 0.334 -0.156
21 HB2 HIS 5 HB2 HIS 5 -5.612 1.429 -2.312
22 HB3 HIS 5 HB3 HIS 5 -4.245 0.328 -2.267
23 HD1 HIS 5 HD1 HIS 5 -8.052 0.228 -2.606
24 HD2 HIS 5 HD2 HIS 5 -4.694 -2.089 -3.441
25 HE1 HIS 5 HE1 HIS 5 -8.878 -1.712 -3.954
26 HA PRO 6 HA PRO 6 -4.523 -2.530 2.648
27 HB2 PRO 6 HB2 PRO 6 -6.101 -4.413 0.941
28 HB3 PRO 6 HB3 PRO 6 -5.908 -4.390 2.698
29 HG2 PRO 6 HG2 PRO 6 -8.074 -3.332 1.584
30 HG3 PRO 6 HG3 PRO 6 -7.298 -2.560 2.968
31 HD2 PRO 6 HD2 PRO 6 -7.365 -1.696 0.135
32 HD3 PRO 6 HD3 PRO 6 -7.122 -0.734 1.606
33 H VAL 7 H VAL 7 -4.764 -4.221 -0.497
34 HA VAL 7 HA VAL 7 -2.434 -5.722 -0.040
35 HB VAL 7 HB VAL 7 -3.865 -5.137 -2.649
36 HG11 VAL 7 HG11 VAL 7 -2.689 -7.066 -3.584
37 HG12 VAL 7 HG12 VAL 7 -1.808 -7.279 -2.078
38 HG13 VAL 7 HG13 VAL 7 -1.525 -5.844 -3.066
39 HG21 VAL 7 HG21 VAL 7 -3.940 -7.512 -0.808
40 HG22 VAL 7 HG22 VAL 7 -4.789 -7.375 -2.343
41 HG23 VAL 7 HG23 VAL 7 -5.206 -6.305 -1.001
42 H CYS 8 H CYS 8 -2.907 -2.707 -1.764
43 HA CYS 8 HA CYS 8 -0.239 -2.628 -2.762
44 HB2 CYS 8 HB2 CYS 8 -2.227 -1.446 -3.820
45 HB3 CYS 8 HB3 CYS 8 -2.126 -0.288 -2.500
46 H SER 9 H SER 9 -1.764 -1.665 0.199
47 HA SER 9 HA SER 9 0.185 0.143 1.051
48 HB2 SER 9 HB2 SER 9 -2.232 -0.206 1.910
49 HB3 SER 9 HB3 SER 9 -1.567 -1.513 2.882
50 HG SER 9 HG SER 9 -1.250 1.226 3.056
51 H ALA 10 H ALA 10 0.020 -3.288 0.825
52 HA ALA 10 HA ALA 10 2.315 -3.724 2.593
53 HB1 ALA 10 HB1 ALA 10 0.671 -5.647 0.939
54 HB2 ALA 10 HB2 ALA 10 0.511 -5.389 2.677
55 HB3 ALA 10 HB3 ALA 10 1.981 -6.111 2.021
56 H MET 11 H MET 11 1.469 -3.261 -0.678
57 HA MET 11 HA MET 11 3.907 -4.235 -1.811
58 HB2 MET 11 HB2 MET 11 1.879 -2.298 -2.945
59 HB3 MET 11 HB3 MET 11 3.221 -2.956 -3.854
60 HG2 MET 11 HG2 MET 11 0.915 -4.500 -2.699
61 HG3 MET 11 HG3 MET 11 1.186 -4.121 -4.400
62 HE1 MET 11 HE1 MET 11 0.569 -7.046 -3.411
63 HE2 MET 11 HE2 MET 11 1.756 -7.950 -4.356
64 HE3 MET 11 HE3 MET 11 0.890 -6.603 -5.086
65 H SER 12 H SER 12 2.729 -1.277 -0.662
66 HA SER 12 HA SER 12 5.473 -0.312 -0.505
67 HB2 SER 12 HB2 SER 12 4.107 0.886 -2.218
68 HB3 SER 12 HB3 SER 12 3.050 1.405 -0.910
69 HG SER 12 HG SER 12 5.279 2.572 -1.663
70 HA PRO 13 HA PRO 13 3.755 -0.310 3.738
71 HB2 PRO 13 HB2 PRO 13 6.076 -1.036 4.952
72 HB3 PRO 13 HB3 PRO 13 4.969 -2.217 4.250
73 HG2 PRO 13 HG2 PRO 13 7.539 -1.168 3.186
74 HG3 PRO 13 HG3 PRO 13 6.813 -2.785 3.049
75 HD2 PRO 13 HD2 PRO 13 6.808 -0.846 1.075
76 HD3 PRO 13 HD3 PRO 13 5.707 -2.234 1.153
77 H ILE 14 H ILE 14 5.713 1.450 1.934
78 HA ILE 14 HA ILE 14 7.033 3.176 3.732
79 HB ILE 14 HB ILE 14 6.248 3.651 0.839
80 HG12 ILE 14 HG12 ILE 14 8.835 2.524 1.930
81 HG13 ILE 14 HG13 ILE 14 7.556 1.564 1.198
82 HG21 ILE 14 HG21 ILE 14 6.922 5.711 1.983
83 HG22 ILE 14 HG22 ILE 14 8.127 5.233 0.789
84 HG23 ILE 14 HG23 ILE 14 8.423 4.943 2.502
85 HD11 ILE 14 HD11 ILE 14 9.382 1.978 -0.352
86 HD12 ILE 14 HD12 ILE 14 9.145 3.718 -0.159
87 HD13 ILE 14 HD13 ILE 14 7.889 2.735 -0.908
88 H CYS 15 H CYS 15 4.050 2.927 2.364
89 HA CYS 15 HA CYS 15 3.120 5.354 3.747
90 HB2 CYS 15 HB2 CYS 15 3.209 5.411 1.133
91 HB3 CYS 15 HB3 CYS 15 1.783 4.380 1.253
92 HN1 NH2 16 HN1 NH2 16 1.899 2.370 2.200
93 HN2 NH2 16 HN2 NH2 16 0.790 1.986 3.460
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 -6.861 6.617 -2.247
2 H2 GLY 1 H2 GLY 1 -6.865 6.292 -3.897
3 H3 GLY 1 H3 GLY 1 -6.458 7.845 -3.334
4 HA2 GLY 1 HA2 GLY 1 -4.474 6.670 -3.976
5 HA3 GLY 1 HA3 GLY 1 -4.517 6.963 -2.245
6 H CYS 2 H CYS 2 -3.206 4.857 -3.937
7 HA CYS 2 HA CYS 2 -4.622 2.398 -3.324
8 HB2 CYS 2 HB2 CYS 2 -3.141 3.016 -5.372
9 HB3 CYS 2 HB3 CYS 2 -1.862 2.636 -4.244
10 H CYS 3 H CYS 3 -1.829 4.209 -2.283
11 HA CYS 3 HA CYS 3 -0.646 2.255 -0.667
12 HB2 CYS 3 HB2 CYS 3 -0.517 5.265 -0.462
13 HB3 CYS 3 HB3 CYS 3 0.509 4.148 0.419
14 H SER 4 H SER 4 -3.433 4.020 -0.234
15 HA SER 4 HA SER 4 -3.506 3.642 2.678
16 HB2 SER 4 HB2 SER 4 -4.203 5.845 1.769
17 HB3 SER 4 HB3 SER 4 -5.449 5.053 0.815
18 HG SER 4 HG SER 4 -5.354 4.832 3.635
19 H HIS 5 H HIS 5 -3.971 1.752 0.134
20 HA HIS 5 HA HIS 5 -6.304 0.379 1.235
21 HB2 HIS 5 HB2 HIS 5 -6.763 1.510 -0.956
22 HB3 HIS 5 HB3 HIS 5 -5.453 0.593 -1.678
23 HD1 HIS 5 HD1 HIS 5 -8.917 0.120 -0.250
24 HD2 HIS 5 HD2 HIS 5 -6.124 -1.882 -2.562
25 HE1 HIS 5 HE1 HIS 5 -10.111 -1.903 -1.167
26 HA PRO 6 HA PRO 6 -3.709 -3.046 2.339
27 HB2 PRO 6 HB2 PRO 6 -5.252 -4.988 0.894
28 HB3 PRO 6 HB3 PRO 6 -5.240 -4.651 2.625
29 HG2 PRO 6 HG2 PRO 6 -7.080 -3.662 0.524
30 HG3 PRO 6 HG3 PRO 6 -7.372 -3.896 2.255
31 HD2 PRO 6 HD2 PRO 6 -7.140 -1.460 1.239
32 HD3 PRO 6 HD3 PRO 6 -6.404 -1.852 2.814
33 H VAL 7 H VAL 7 -4.756 -3.156 -1.037
34 HA VAL 7 HA VAL 7 -2.920 -4.922 -2.079
35 HB VAL 7 HB VAL 7 -4.087 -2.491 -3.480
36 HG11 VAL 7 HG11 VAL 7 -2.151 -3.357 -4.702
37 HG12 VAL 7 HG12 VAL 7 -3.646 -3.702 -5.571
38 HG13 VAL 7 HG13 VAL 7 -2.842 -4.979 -4.662
39 HG21 VAL 7 HG21 VAL 7 -5.750 -4.064 -4.344
40 HG22 VAL 7 HG22 VAL 7 -5.781 -4.021 -2.580
41 HG23 VAL 7 HG23 VAL 7 -5.007 -5.363 -3.415
42 H CYS 8 H CYS 8 -2.505 -1.356 -2.334
43 HA CYS 8 HA CYS 8 0.282 -1.812 -2.919
44 HB2 CYS 8 HB2 CYS 8 -1.246 0.764 -2.623
45 HB3 CYS 8 HB3 CYS 8 0.430 0.648 -3.148
46 H SER 9 H SER 9 -1.616 -1.011 -0.145
47 HA SER 9 HA SER 9 0.334 0.243 1.352
48 HB2 SER 9 HB2 SER 9 -2.064 0.286 1.918
49 HB3 SER 9 HB3 SER 9 -1.996 -1.424 2.327
50 HG SER 9 HG SER 9 -0.353 0.500 3.554
51 H ALA 10 H ALA 10 -0.366 -3.183 0.865
52 HA ALA 10 HA ALA 10 1.628 -3.986 2.801
53 HB1 ALA 10 HB1 ALA 10 0.124 -5.665 0.794
54 HB2 ALA 10 HB2 ALA 10 -0.392 -5.359 2.452
55 HB3 ALA 10 HB3 ALA 10 1.088 -6.268 2.140
56 H MET 11 H MET 11 1.500 -3.292 -0.536
57 HA MET 11 HA MET 11 3.916 -4.640 -1.306
58 HB2 MET 11 HB2 MET 11 2.534 -2.256 -2.542
59 HB3 MET 11 HB3 MET 11 3.919 -3.067 -3.241
60 HG2 MET 11 HG2 MET 11 2.633 -5.063 -3.578
61 HG3 MET 11 HG3 MET 11 1.250 -4.350 -2.743
62 HE1 MET 11 HE1 MET 11 0.016 -4.452 -6.446
63 HE2 MET 11 HE2 MET 11 -0.307 -4.942 -4.783
64 HE3 MET 11 HE3 MET 11 1.047 -5.649 -5.665
65 H SER 12 H SER 12 3.101 -1.416 -0.555
66 HA SER 12 HA SER 12 5.872 -0.922 0.201
67 HB2 SER 12 HB2 SER 12 5.207 0.264 -1.859
68 HB3 SER 12 HB3 SER 12 3.929 1.054 -0.939
69 HG SER 12 HG SER 12 6.507 1.747 -1.100
70 HA PRO 13 HA PRO 13 3.610 0.040 3.990
71 HB2 PRO 13 HB2 PRO 13 5.965 -0.408 5.473
72 HB3 PRO 13 HB3 PRO 13 4.619 -1.528 5.311
73 HG2 PRO 13 HG2 PRO 13 7.245 -1.748 4.223
74 HG3 PRO 13 HG3 PRO 13 5.878 -2.880 4.024
75 HD2 PRO 13 HD2 PRO 13 7.032 -0.947 2.185
76 HD3 PRO 13 HD3 PRO 13 5.895 -2.268 1.866
77 H ILE 14 H ILE 14 6.284 1.122 2.365
78 HA ILE 14 HA ILE 14 7.086 3.246 4.080
79 HB ILE 14 HB ILE 14 7.734 2.791 1.151
80 HG12 ILE 14 HG12 ILE 14 9.344 2.089 3.620
81 HG13 ILE 14 HG13 ILE 14 8.438 0.941 2.646
82 HG21 ILE 14 HG21 ILE 14 9.644 4.276 1.513
83 HG22 ILE 14 HG22 ILE 14 9.115 4.562 3.170
84 HG23 ILE 14 HG23 ILE 14 8.122 5.117 1.820
85 HD11 ILE 14 HD11 ILE 14 10.817 0.864 2.145
86 HD12 ILE 14 HD12 ILE 14 10.793 2.575 1.715
87 HD13 ILE 14 HD13 ILE 14 9.897 1.408 0.743
88 H CYS 15 H CYS 15 4.985 2.790 1.596
89 HA CYS 15 HA CYS 15 4.366 5.639 1.254
90 HB2 CYS 15 HB2 CYS 15 4.628 4.138 -0.767
91 HB3 CYS 15 HB3 CYS 15 3.186 3.282 -0.246
92 HN1 NH2 16 HN1 NH2 16 3.370 6.045 3.183
93 HN2 NH2 16 HN2 NH2 16 1.852 5.365 3.657
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 -6.292 5.359 -5.229
2 H2 GLY 1 H2 GLY 1 -6.457 4.014 -4.215
3 H3 GLY 1 H3 GLY 1 -5.355 3.975 -5.460
4 HA2 GLY 1 HA2 GLY 1 -4.045 5.697 -4.379
5 HA3 GLY 1 HA3 GLY 1 -5.252 5.748 -3.099
6 H CYS 2 H CYS 2 -2.299 4.441 -3.967
7 HA CYS 2 HA CYS 2 -2.510 1.844 -3.072
8 HB2 CYS 2 HB2 CYS 2 -0.339 3.753 -3.563
9 HB3 CYS 2 HB3 CYS 2 -0.025 2.264 -2.677
10 H CYS 3 H CYS 3 -1.760 4.811 -1.371
11 HA CYS 3 HA CYS 3 -0.853 3.463 0.935
12 HB2 CYS 3 HB2 CYS 3 -1.613 6.331 0.493
13 HB3 CYS 3 HB3 CYS 3 -0.760 5.671 1.886
14 H SER 4 H SER 4 -3.777 4.000 -0.331
15 HA SER 4 HA SER 4 -5.128 3.757 2.268
16 HB2 SER 4 HB2 SER 4 -7.091 4.801 1.080
17 HB3 SER 4 HB3 SER 4 -5.702 5.869 1.319
18 HG SER 4 HG SER 4 -5.863 6.165 -0.730
19 H HIS 5 H HIS 5 -4.083 1.727 0.131
20 HA HIS 5 HA HIS 5 -6.572 0.208 -0.010
21 HB2 HIS 5 HB2 HIS 5 -6.180 1.323 -2.196
22 HB3 HIS 5 HB3 HIS 5 -4.632 0.507 -2.306
23 HD1 HIS 5 HD1 HIS 5 -4.877 -1.235 -4.079
24 HD2 HIS 5 HD2 HIS 5 -8.227 -0.981 -1.653
25 HE1 HIS 5 HE1 HIS 5 -6.442 -3.067 -4.855
26 HA PRO 6 HA PRO 6 -4.274 -2.638 2.506
27 HB2 PRO 6 HB2 PRO 6 -5.893 -4.374 0.688
28 HB3 PRO 6 HB3 PRO 6 -5.539 -4.606 2.407
29 HG2 PRO 6 HG2 PRO 6 -7.827 -3.497 1.662
30 HG3 PRO 6 HG3 PRO 6 -6.937 -2.878 3.063
31 HD2 PRO 6 HD2 PRO 6 -7.352 -1.646 0.423
32 HD3 PRO 6 HD3 PRO 6 -6.893 -0.880 1.959
33 H VAL 7 H VAL 7 -4.603 -3.948 -0.801
34 HA VAL 7 HA VAL 7 -2.279 -5.492 -0.574
35 HB VAL 7 HB VAL 7 -2.419 -5.939 -2.981
36 HG11 VAL 7 HG11 VAL 7 -3.803 -7.233 -1.502
37 HG12 VAL 7 HG12 VAL 7 -4.657 -6.943 -3.018
38 HG13 VAL 7 HG13 VAL 7 -5.074 -6.013 -1.576
39 HG21 VAL 7 HG21 VAL 7 -3.077 -3.735 -3.797
40 HG22 VAL 7 HG22 VAL 7 -4.643 -3.896 -3.005
41 HG23 VAL 7 HG23 VAL 7 -4.220 -4.962 -4.345
42 H CYS 8 H CYS 8 -2.636 -2.200 -1.733
43 HA CYS 8 HA CYS 8 0.079 -2.341 -2.758
44 HB2 CYS 8 HB2 CYS 8 -1.894 -1.081 -3.921
45 HB3 CYS 8 HB3 CYS 8 -1.550 0.159 -2.706
46 H SER 9 H SER 9 -1.667 -1.288 0.026
47 HA SER 9 HA SER 9 0.342 0.333 1.078
48 HB2 SER 9 HB2 SER 9 -1.753 -1.279 2.542
49 HB3 SER 9 HB3 SER 9 -0.862 0.097 3.195
50 HG SER 9 HG SER 9 -1.933 0.860 0.902
51 H ALA 10 H ALA 10 -0.226 -3.063 0.882
52 HA ALA 10 HA ALA 10 1.825 -3.866 2.728
53 HB1 ALA 10 HB1 ALA 10 -0.106 -5.322 2.273
54 HB2 ALA 10 HB2 ALA 10 1.405 -6.124 1.842
55 HB3 ALA 10 HB3 ALA 10 0.380 -5.435 0.583
56 H MET 11 H MET 11 1.429 -3.532 -0.754
57 HA MET 11 HA MET 11 3.968 -4.405 -1.566
58 HB2 MET 11 HB2 MET 11 2.131 -4.042 -3.165
59 HB3 MET 11 HB3 MET 11 2.198 -2.316 -2.837
60 HG2 MET 11 HG2 MET 11 4.472 -2.241 -3.748
61 HG3 MET 11 HG3 MET 11 4.366 -3.959 -4.121
62 HE1 MET 11 HE1 MET 11 4.208 -2.237 -7.636
63 HE2 MET 11 HE2 MET 11 5.057 -3.406 -6.625
64 HE3 MET 11 HE3 MET 11 5.127 -1.687 -6.236
65 H SER 12 H SER 12 2.823 -1.288 -0.757
66 HA SER 12 HA SER 12 5.594 -0.481 -0.334
67 HB2 SER 12 HB2 SER 12 4.483 0.743 -2.178
68 HB3 SER 12 HB3 SER 12 3.305 1.339 -1.008
69 HG SER 12 HG SER 12 5.833 2.187 -1.476
70 HA PRO 13 HA PRO 13 3.748 0.013 3.768
71 HB2 PRO 13 HB2 PRO 13 5.726 -1.169 5.170
72 HB3 PRO 13 HB3 PRO 13 4.457 -2.118 4.390
73 HG2 PRO 13 HG2 PRO 13 7.264 -1.652 3.542
74 HG3 PRO 13 HG3 PRO 13 6.270 -3.112 3.381
75 HD2 PRO 13 HD2 PRO 13 6.768 -1.249 1.371
76 HD3 PRO 13 HD3 PRO 13 5.450 -2.435 1.366
77 H ILE 14 H ILE 14 6.117 1.078 1.905
78 HA ILE 14 HA ILE 14 7.765 2.627 3.604
79 HB ILE 14 HB ILE 14 7.129 3.090 0.676
80 HG12 ILE 14 HG12 ILE 14 7.883 0.793 0.912
81 HG13 ILE 14 HG13 ILE 14 9.141 1.750 0.146
82 HG21 ILE 14 HG21 ILE 14 9.549 3.901 2.272
83 HG22 ILE 14 HG22 ILE 14 8.272 4.968 1.689
84 HG23 ILE 14 HG23 ILE 14 9.330 4.149 0.538
85 HD11 ILE 14 HD11 ILE 14 10.095 0.205 1.740
86 HD12 ILE 14 HD12 ILE 14 9.071 0.852 3.018
87 HD13 ILE 14 HD13 ILE 14 10.325 1.864 2.299
88 H CYS 15 H CYS 15 4.904 2.893 2.027
89 HA CYS 15 HA CYS 15 4.438 5.631 2.965
90 HB2 CYS 15 HB2 CYS 15 3.994 5.259 0.548
91 HB3 CYS 15 HB3 CYS 15 2.777 4.061 0.976
92 HN1 NH2 16 HN1 NH2 16 2.333 2.776 2.520
93 HN2 NH2 16 HN2 NH2 16 1.597 2.901 4.077
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 -5.943 5.828 -2.875
2 H2 GLY 1 H2 GLY 1 -6.459 4.793 -4.070
3 H3 GLY 1 H3 GLY 1 -6.156 6.413 -4.447
4 HA2 GLY 1 HA2 GLY 1 -4.387 5.017 -5.238
5 HA3 GLY 1 HA3 GLY 1 -3.813 6.077 -3.954
6 H CYS 2 H CYS 2 -2.232 4.000 -4.303
7 HA CYS 2 HA CYS 2 -3.028 1.567 -3.212
8 HB2 CYS 2 HB2 CYS 2 -0.518 2.869 -3.981
9 HB3 CYS 2 HB3 CYS 2 -0.504 1.357 -3.089
10 H CYS 3 H CYS 3 -1.583 4.426 -1.867
11 HA CYS 3 HA CYS 3 -0.635 3.162 0.469
12 HB2 CYS 3 HB2 CYS 3 0.226 5.271 -0.602
13 HB3 CYS 3 HB3 CYS 3 -1.173 6.095 0.049
14 H SER 4 H SER 4 -3.621 3.997 -0.590
15 HA SER 4 HA SER 4 -4.701 4.026 2.158
16 HB2 SER 4 HB2 SER 4 -5.106 6.119 0.805
17 HB3 SER 4 HB3 SER 4 -6.062 5.153 -0.312
18 HG SER 4 HG SER 4 -6.552 5.627 2.433
19 H HIS 5 H HIS 5 -4.087 1.922 -0.119
20 HA HIS 5 HA HIS 5 -6.594 0.443 0.210
21 HB2 HIS 5 HB2 HIS 5 -6.415 1.195 -2.107
22 HB3 HIS 5 HB3 HIS 5 -4.792 0.534 -2.230
23 HD1 HIS 5 HD1 HIS 5 -8.440 -0.606 -2.075
24 HD2 HIS 5 HD2 HIS 5 -4.654 -2.105 -2.937
25 HE1 HIS 5 HE1 HIS 5 -8.794 -2.882 -3.052
26 HA PRO 6 HA PRO 6 -3.881 -1.890 2.904
27 HB2 PRO 6 HB2 PRO 6 -5.972 -3.898 2.168
28 HB3 PRO 6 HB3 PRO 6 -5.247 -3.559 3.740
29 HG2 PRO 6 HG2 PRO 6 -7.623 -2.547 3.142
30 HG3 PRO 6 HG3 PRO 6 -6.430 -1.584 4.027
31 HD2 PRO 6 HD2 PRO 6 -7.343 -1.325 1.213
32 HD3 PRO 6 HD3 PRO 6 -6.692 -0.092 2.307
33 H VAL 7 H VAL 7 -5.102 -3.755 0.082
34 HA VAL 7 HA VAL 7 -2.963 -5.588 0.134
35 HB VAL 7 HB VAL 7 -4.831 -4.899 -2.160
36 HG11 VAL 7 HG11 VAL 7 -2.760 -5.901 -3.048
37 HG12 VAL 7 HG12 VAL 7 -4.119 -7.015 -3.196
38 HG13 VAL 7 HG13 VAL 7 -2.928 -7.245 -1.916
39 HG21 VAL 7 HG21 VAL 7 -4.773 -7.221 -0.248
40 HG22 VAL 7 HG22 VAL 7 -5.951 -6.966 -1.535
41 HG23 VAL 7 HG23 VAL 7 -5.876 -5.855 -0.164
42 H CYS 8 H CYS 8 -3.289 -2.535 -1.586
43 HA CYS 8 HA CYS 8 -0.810 -3.059 -2.994
44 HB2 CYS 8 HB2 CYS 8 -2.811 -1.803 -4.027
45 HB3 CYS 8 HB3 CYS 8 -2.306 -0.452 -3.008
46 H SER 9 H SER 9 -1.892 -1.514 -0.124
47 HA SER 9 HA SER 9 0.282 0.128 0.359
48 HB2 SER 9 HB2 SER 9 -1.522 -1.299 2.319
49 HB3 SER 9 HB3 SER 9 -0.367 -0.044 2.767
50 HG SER 9 HG SER 9 -2.026 0.638 0.686
51 H ALA 10 H ALA 10 0.062 -3.253 0.250
52 HA ALA 10 HA ALA 10 2.219 -3.863 2.035
53 HB1 ALA 10 HB1 ALA 10 0.487 -5.517 1.493
54 HB2 ALA 10 HB2 ALA 10 2.096 -6.102 1.065
55 HB3 ALA 10 HB3 ALA 10 1.011 -5.505 -0.191
56 H MET 11 H MET 11 1.945 -2.693 -1.174
57 HA MET 11 HA MET 11 4.486 -3.684 -2.060
58 HB2 MET 11 HB2 MET 11 2.776 -1.504 -3.286
59 HB3 MET 11 HB3 MET 11 4.148 -2.288 -4.059
60 HG2 MET 11 HG2 MET 11 1.550 -3.591 -3.276
61 HG3 MET 11 HG3 MET 11 2.077 -3.194 -4.911
62 HE1 MET 11 HE1 MET 11 1.065 -6.086 -3.711
63 HE2 MET 11 HE2 MET 11 2.145 -7.175 -4.577
64 HE3 MET 11 HE3 MET 11 1.392 -5.830 -5.426
65 H SER 12 H SER 12 3.235 -0.829 -0.740
66 HA SER 12 HA SER 12 5.976 -0.016 -0.134
67 HB2 SER 12 HB2 SER 12 4.812 1.507 -1.762
68 HB3 SER 12 HB3 SER 12 3.664 1.843 -0.465
69 HG SER 12 HG SER 12 6.217 2.797 -0.761
70 HA PRO 13 HA PRO 13 3.744 -0.572 3.838
71 HB2 PRO 13 HB2 PRO 13 5.847 -1.673 5.189
72 HB3 PRO 13 HB3 PRO 13 4.707 -2.634 4.246
73 HG2 PRO 13 HG2 PRO 13 7.467 -1.764 3.560
74 HG3 PRO 13 HG3 PRO 13 6.618 -3.263 3.148
75 HD2 PRO 13 HD2 PRO 13 6.989 -1.138 1.433
76 HD3 PRO 13 HD3 PRO 13 5.717 -2.360 1.256
77 H ILE 14 H ILE 14 6.241 1.111 2.573
78 HA ILE 14 HA ILE 14 7.125 2.436 4.944
79 HB ILE 14 HB ILE 14 7.777 3.039 2.041
80 HG12 ILE 14 HG12 ILE 14 9.337 1.356 4.021
81 HG13 ILE 14 HG13 ILE 14 8.355 0.719 2.710
82 HG21 ILE 14 HG21 ILE 14 9.794 4.148 2.953
83 HG22 ILE 14 HG22 ILE 14 9.227 3.817 4.587
84 HG23 ILE 14 HG23 ILE 14 8.315 4.908 3.544
85 HD11 ILE 14 HD11 ILE 14 9.842 1.785 1.091
86 HD12 ILE 14 HD12 ILE 14 10.722 0.694 2.163
87 HD13 ILE 14 HD13 ILE 14 10.804 2.438 2.415
88 H CYS 15 H CYS 15 4.749 2.598 2.753
89 HA CYS 15 HA CYS 15 4.086 5.383 3.384
90 HB2 CYS 15 HB2 CYS 15 4.172 4.627 0.905
91 HB3 CYS 15 HB3 CYS 15 2.716 3.715 1.252
92 HN1 NH2 16 HN1 NH2 16 2.025 2.609 2.532
93 HN2 NH2 16 HN2 NH2 16 1.144 2.617 4.019
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 -7.222 4.490 -3.830
2 H2 GLY 1 H2 GLY 1 -6.300 4.464 -5.228
3 H3 GLY 1 H3 GLY 1 -7.093 5.900 -4.752
4 HA2 GLY 1 HA2 GLY 1 -4.733 5.988 -4.218
5 HA3 GLY 1 HA3 GLY 1 -5.738 5.983 -2.769
6 H CYS 2 H CYS 2 -2.990 4.720 -3.960
7 HA CYS 2 HA CYS 2 -3.428 2.005 -3.220
8 HB2 CYS 2 HB2 CYS 2 -1.397 3.552 -4.550
9 HB3 CYS 2 HB3 CYS 2 -0.770 2.267 -3.531
10 H CYS 3 H CYS 3 -1.733 4.779 -1.814
11 HA CYS 3 HA CYS 3 -0.534 3.324 0.257
12 HB2 CYS 3 HB2 CYS 3 -1.313 6.237 0.146
13 HB3 CYS 3 HB3 CYS 3 -0.205 5.498 1.296
14 H SER 4 H SER 4 -3.661 4.273 -0.351
15 HA SER 4 HA SER 4 -4.519 3.833 2.400
16 HB2 SER 4 HB2 SER 4 -6.674 4.891 1.483
17 HB3 SER 4 HB3 SER 4 -5.267 5.931 1.713
18 HG SER 4 HG SER 4 -6.002 6.395 -0.235
19 H HIS 5 H HIS 5 -3.805 1.799 0.213
20 HA HIS 5 HA HIS 5 -6.335 0.336 0.270
21 HB2 HIS 5 HB2 HIS 5 -5.980 1.190 -1.994
22 HB3 HIS 5 HB3 HIS 5 -4.347 0.555 -1.998
23 HD1 HIS 5 HD1 HIS 5 -7.853 -0.960 -1.601
24 HD2 HIS 5 HD2 HIS 5 -4.179 -1.683 -3.385
25 HE1 HIS 5 HE1 HIS 5 -8.073 -3.168 -2.777
26 HA PRO 6 HA PRO 6 -3.978 -2.540 2.693
27 HB2 PRO 6 HB2 PRO 6 -5.689 -4.511 1.236
28 HB3 PRO 6 HB3 PRO 6 -5.344 -4.394 2.966
29 HG2 PRO 6 HG2 PRO 6 -7.658 -3.520 2.039
30 HG3 PRO 6 HG3 PRO 6 -6.781 -2.584 3.262
31 HD2 PRO 6 HD2 PRO 6 -7.072 -2.076 0.339
32 HD3 PRO 6 HD3 PRO 6 -7.002 -0.929 1.692
33 H VAL 7 H VAL 7 -4.617 -3.539 -0.661
34 HA VAL 7 HA VAL 7 -2.480 -5.376 -0.766
35 HB VAL 7 HB VAL 7 -3.918 -4.024 -3.064
36 HG11 VAL 7 HG11 VAL 7 -1.778 -4.969 -3.754
37 HG12 VAL 7 HG12 VAL 7 -3.127 -5.888 -4.423
38 HG13 VAL 7 HG13 VAL 7 -2.224 -6.521 -3.044
39 HG21 VAL 7 HG21 VAL 7 -5.425 -5.266 -1.615
40 HG22 VAL 7 HG22 VAL 7 -4.399 -6.695 -1.748
41 HG23 VAL 7 HG23 VAL 7 -5.241 -6.078 -3.168
42 H CYS 8 H CYS 8 -2.727 -2.016 -1.965
43 HA CYS 8 HA CYS 8 -0.065 -2.077 -3.015
44 HB2 CYS 8 HB2 CYS 8 -1.630 0.388 -2.283
45 HB3 CYS 8 HB3 CYS 8 -0.252 0.276 -3.361
46 H SER 9 H SER 9 -1.543 -1.109 0.040
47 HA SER 9 HA SER 9 0.678 0.233 0.968
48 HB2 SER 9 HB2 SER 9 -1.579 0.604 1.870
49 HB3 SER 9 HB3 SER 9 -1.565 -1.010 2.575
50 HG SER 9 HG SER 9 0.498 0.771 3.174
51 H ALA 10 H ALA 10 -0.015 -3.103 0.656
52 HA ALA 10 HA ALA 10 1.947 -3.973 2.613
53 HB1 ALA 10 HB1 ALA 10 -0.031 -5.364 2.215
54 HB2 ALA 10 HB2 ALA 10 1.443 -6.238 1.791
55 HB3 ALA 10 HB3 ALA 10 0.431 -5.544 0.523
56 H MET 11 H MET 11 1.642 -3.509 -0.832
57 HA MET 11 HA MET 11 4.207 -4.584 -1.439
58 HB2 MET 11 HB2 MET 11 2.422 -2.765 -3.063
59 HB3 MET 11 HB3 MET 11 3.912 -3.471 -3.671
60 HG2 MET 11 HG2 MET 11 1.466 -4.988 -2.769
61 HG3 MET 11 HG3 MET 11 1.965 -4.715 -4.436
62 HE1 MET 11 HE1 MET 11 5.129 -5.130 -4.307
63 HE2 MET 11 HE2 MET 11 4.092 -5.814 -5.557
64 HE3 MET 11 HE3 MET 11 5.238 -6.845 -4.702
65 H SER 12 H SER 12 2.975 -1.504 -0.747
66 HA SER 12 HA SER 12 5.715 -0.601 -0.318
67 HB2 SER 12 HB2 SER 12 4.545 0.502 -2.276
68 HB3 SER 12 HB3 SER 12 3.428 1.181 -1.084
69 HG SER 12 HG SER 12 6.056 1.875 -1.608
70 HA PRO 13 HA PRO 13 3.445 -0.266 3.677
71 HB2 PRO 13 HB2 PRO 13 5.365 -1.306 5.240
72 HB3 PRO 13 HB3 PRO 13 4.310 -2.348 4.277
73 HG2 PRO 13 HG2 PRO 13 7.109 -1.457 3.718
74 HG3 PRO 13 HG3 PRO 13 6.366 -3.065 3.507
75 HD2 PRO 13 HD2 PRO 13 6.768 -1.242 1.489
76 HD3 PRO 13 HD3 PRO 13 5.532 -2.513 1.455
77 H ILE 14 H ILE 14 5.695 1.246 2.134
78 HA ILE 14 HA ILE 14 6.838 2.806 4.240
79 HB ILE 14 HB ILE 14 7.154 3.090 1.234
80 HG12 ILE 14 HG12 ILE 14 8.956 1.720 3.242
81 HG13 ILE 14 HG13 ILE 14 7.877 0.893 2.129
82 HG21 ILE 14 HG21 ILE 14 7.748 5.148 2.440
83 HG22 ILE 14 HG22 ILE 14 9.185 4.379 1.768
84 HG23 ILE 14 HG23 ILE 14 8.830 4.229 3.488
85 HD11 ILE 14 HD11 ILE 14 9.160 1.795 0.245
86 HD12 ILE 14 HD12 ILE 14 10.155 0.833 1.336
87 HD13 ILE 14 HD13 ILE 14 10.243 2.593 1.388
88 H CYS 15 H CYS 15 4.276 2.739 2.225
89 HA CYS 15 HA CYS 15 3.500 5.508 2.826
90 HB2 CYS 15 HB2 CYS 15 4.265 5.109 0.410
91 HB3 CYS 15 HB3 CYS 15 2.829 4.107 0.240
92 HN1 NH2 16 HN1 NH2 16 2.186 4.837 4.501
93 HN2 NH2 16 HN2 NH2 16 0.802 3.820 4.311
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 -5.075 6.653 -0.714
2 H2 GLY 1 H2 GLY 1 -6.465 6.331 -1.599
3 H3 GLY 1 H3 GLY 1 -5.824 7.887 -1.621
4 HA2 GLY 1 HA2 GLY 1 -5.350 6.758 -3.660
5 HA3 GLY 1 HA3 GLY 1 -3.855 7.001 -2.764
6 H CYS 2 H CYS 2 -3.009 5.179 -3.986
7 HA CYS 2 HA CYS 2 -4.178 2.583 -3.880
8 HB2 CYS 2 HB2 CYS 2 -2.216 3.682 -5.374
9 HB3 CYS 2 HB3 CYS 2 -1.249 2.949 -4.106
10 H CYS 3 H CYS 3 -1.709 4.326 -2.018
11 HA CYS 3 HA CYS 3 -1.001 2.100 -0.441
12 HB2 CYS 3 HB2 CYS 3 -0.431 5.027 -0.052
13 HB3 CYS 3 HB3 CYS 3 0.274 3.696 0.847
14 H SER 4 H SER 4 -3.600 3.962 -0.439
15 HA SER 4 HA SER 4 -4.227 3.819 2.436
16 HB2 SER 4 HB2 SER 4 -6.006 4.734 0.180
17 HB3 SER 4 HB3 SER 4 -6.155 5.128 1.894
18 HG SER 4 HG SER 4 -4.053 6.141 1.648
19 H HIS 5 H HIS 5 -4.107 1.703 0.045
20 HA HIS 5 HA HIS 5 -6.535 0.238 0.741
21 HB2 HIS 5 HB2 HIS 5 -6.757 1.277 -1.504
22 HB3 HIS 5 HB3 HIS 5 -5.221 0.586 -1.980
23 HD1 HIS 5 HD1 HIS 5 -5.927 -0.982 -3.840
24 HD2 HIS 5 HD2 HIS 5 -8.289 -1.358 -0.438
25 HE1 HIS 5 HE1 HIS 5 -7.462 -2.910 -4.277
26 HA PRO 6 HA PRO 6 -3.603 -2.599 2.586
27 HB2 PRO 6 HB2 PRO 6 -5.620 -4.392 1.286
28 HB3 PRO 6 HB3 PRO 6 -4.810 -4.598 2.847
29 HG2 PRO 6 HG2 PRO 6 -7.210 -3.545 2.823
30 HG3 PRO 6 HG3 PRO 6 -5.947 -2.800 3.815
31 HD2 PRO 6 HD2 PRO 6 -7.155 -1.833 1.283
32 HD3 PRO 6 HD3 PRO 6 -6.440 -0.916 2.625
33 H VAL 7 H VAL 7 -4.663 -3.314 -0.714
34 HA VAL 7 HA VAL 7 -2.710 -5.172 -1.419
35 HB VAL 7 HB VAL 7 -4.043 -3.128 -3.227
36 HG11 VAL 7 HG11 VAL 7 -2.089 -4.114 -4.295
37 HG12 VAL 7 HG12 VAL 7 -3.570 -4.709 -5.047
38 HG13 VAL 7 HG13 VAL 7 -2.681 -5.731 -3.917
39 HG21 VAL 7 HG21 VAL 7 -5.628 -4.924 -3.741
40 HG22 VAL 7 HG22 VAL 7 -5.660 -4.503 -2.029
41 HG23 VAL 7 HG23 VAL 7 -4.827 -5.963 -2.564
42 H CYS 8 H CYS 8 -2.639 -1.633 -1.924
43 HA CYS 8 HA CYS 8 0.101 -1.827 -2.836
44 HB2 CYS 8 HB2 CYS 8 -1.306 0.759 -2.291
45 HB3 CYS 8 HB3 CYS 8 -0.123 0.391 -3.543
46 H SER 9 H SER 9 -1.687 -1.096 0.085
47 HA SER 9 HA SER 9 0.234 0.311 1.448
48 HB2 SER 9 HB2 SER 9 -1.778 -1.635 2.572
49 HB3 SER 9 HB3 SER 9 -0.942 -0.383 3.493
50 HG SER 9 HG SER 9 -2.011 1.178 2.305
51 H ALA 10 H ALA 10 -0.224 -3.159 0.992
52 HA ALA 10 HA ALA 10 1.978 -3.893 2.707
53 HB1 ALA 10 HB1 ALA 10 1.535 -6.153 1.957
54 HB2 ALA 10 HB2 ALA 10 0.427 -5.541 0.727
55 HB3 ALA 10 HB3 ALA 10 0.034 -5.359 2.438
56 H MET 11 H MET 11 1.421 -3.323 -0.670
57 HA MET 11 HA MET 11 3.786 -4.359 -1.764
58 HB2 MET 11 HB2 MET 11 1.927 -3.510 -3.148
59 HB3 MET 11 HB3 MET 11 2.266 -1.883 -2.585
60 HG2 MET 11 HG2 MET 11 4.480 -1.995 -3.658
61 HG3 MET 11 HG3 MET 11 4.075 -3.596 -4.277
62 HE1 MET 11 HE1 MET 11 5.040 -1.179 -6.124
63 HE2 MET 11 HE2 MET 11 3.926 -1.331 -7.483
64 HE3 MET 11 HE3 MET 11 4.632 -2.775 -6.756
65 H SER 12 H SER 12 3.073 -1.216 -0.633
66 HA SER 12 HA SER 12 5.916 -0.852 -0.041
67 HB2 SER 12 HB2 SER 12 5.075 0.488 -2.017
68 HB3 SER 12 HB3 SER 12 4.058 1.341 -0.851
69 HG SER 12 HG SER 12 6.845 1.218 -0.962
70 HA PRO 13 HA PRO 13 3.627 -0.171 3.848
71 HB2 PRO 13 HB2 PRO 13 5.619 -1.050 5.485
72 HB3 PRO 13 HB3 PRO 13 4.448 -2.136 4.733
73 HG2 PRO 13 HG2 PRO 13 7.275 -1.591 3.987
74 HG3 PRO 13 HG3 PRO 13 6.338 -3.094 3.893
75 HD2 PRO 13 HD2 PRO 13 6.885 -1.442 1.755
76 HD3 PRO 13 HD3 PRO 13 5.548 -2.605 1.814
77 H ILE 14 H ILE 14 6.385 1.022 2.393
78 HA ILE 14 HA ILE 14 7.061 2.858 4.499
79 HB ILE 14 HB ILE 14 8.266 2.765 1.698
80 HG12 ILE 14 HG12 ILE 14 9.266 1.398 4.209
81 HG13 ILE 14 HG13 ILE 14 8.507 0.576 2.850
82 HG21 ILE 14 HG21 ILE 14 8.703 4.830 2.979
83 HG22 ILE 14 HG22 ILE 14 10.179 3.894 2.736
84 HG23 ILE 14 HG23 ILE 14 9.363 3.864 4.300
85 HD11 ILE 14 HD11 ILE 14 10.927 0.345 2.812
86 HD12 ILE 14 HD12 ILE 14 11.105 2.099 2.774
87 HD13 ILE 14 HD13 ILE 14 10.360 1.259 1.414
88 H CYS 15 H CYS 15 5.029 2.582 2.028
89 HA CYS 15 HA CYS 15 4.805 5.409 1.365
90 HB2 CYS 15 HB2 CYS 15 4.597 3.733 -0.444
91 HB3 CYS 15 HB3 CYS 15 3.215 3.034 0.382
92 HN1 NH2 16 HN1 NH2 16 4.164 6.124 3.380
93 HN2 NH2 16 HN2 NH2 16 2.618 5.785 4.073