NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
647129 |
6kmy   |
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 HT1 GLY 1 11.095 3.401 -7.290
2 H2 GLY 1 HT2 GLY 1 11.244 1.825 -7.885
3 H3 GLY 1 HT3 GLY 1 11.375 2.118 -6.227
4 HA2 GLY 1 HA1 GLY 1 9.088 2.786 -6.102
5 HA3 GLY 1 HA2 GLY 1 8.939 2.552 -7.838
6 H PHE 2 HN PHE 2 7.491 1.269 -5.625
7 HA PHE 2 HA PHE 2 8.236 -1.505 -6.227
8 HB2 PHE 2 HB2 PHE 2 6.959 -0.419 -3.752
9 HB3 PHE 2 HB1 PHE 2 7.145 -2.130 -4.090
10 HD1 PHE 2 HD1 PHE 2 8.799 0.870 -2.923
11 HD2 PHE 2 HD2 PHE 2 9.400 -3.129 -4.243
12 HE1 PHE 2 HE1 PHE 2 11.063 0.896 -1.966
13 HE2 PHE 2 HE2 PHE 2 11.661 -3.112 -3.287
14 HZ PHE 2 HZ PHE 2 12.498 -1.097 -2.146
15 H ARG 3 HN ARG 3 6.964 -2.188 -7.663
16 HA ARG 3 HA ARG 3 4.083 -2.042 -7.337
17 HB2 ARG 3 HB2 ARG 3 5.532 -0.902 -9.715
18 HB3 ARG 3 HB1 ARG 3 3.859 -1.432 -9.812
19 HG2 ARG 3 HG2 ARG 3 3.252 0.163 -8.060
20 HG3 ARG 3 HG1 ARG 3 4.931 0.696 -7.971
21 HD2 ARG 3 HD2 ARG 3 3.212 0.832 -10.434
22 HD3 ARG 3 HD1 ARG 3 3.475 2.177 -9.324
23 HE ARG 3 HE ARG 3 5.984 1.401 -10.018
24 HH11 ARG 3 HH11 ARG 3 3.144 2.364 -11.843
25 HH12 ARG 3 HH12 ARG 3 4.050 3.009 -13.169
26 HH21 ARG 3 HH21 ARG 3 7.185 2.253 -11.744
27 HH22 ARG 3 HH22 ARG 3 6.378 2.945 -13.109
28 H SER 4 HN SER 4 2.954 -3.623 -8.556
29 HA SER 4 HA SER 4 4.561 -5.972 -9.002
30 HB2 SER 4 HB2 SER 4 1.557 -5.646 -9.064
31 HB3 SER 4 HB1 SER 4 2.444 -7.169 -9.072
32 HG SER 4 HG SER 4 2.754 -5.259 -7.005
33 H ALA 5 HN ALA 5 5.534 -5.100 -10.870
34 HA ALA 5 HA ALA 5 3.848 -5.256 -13.260
35 HB1 ALA 5 HB1 ALA 5 5.614 -4.049 -14.440
36 HB2 ALA 5 HB2 ALA 5 6.567 -3.988 -12.958
37 HB3 ALA 5 HB3 ALA 5 5.027 -3.133 -13.052
38 H CYS 6 HN CYS 6 3.921 -7.548 -13.009
39 HA CYS 6 HA CYS 6 6.427 -8.855 -13.510
40 HB2 CYS 6 HB2 CYS 6 4.959 -10.918 -13.783
41 HB3 CYS 6 HB1 CYS 6 4.948 -10.144 -12.207
42 HA PRO 7 HA PRO 7 6.803 -10.953 -14.422
43 HB2 PRO 7 HB2 PRO 7 8.780 -11.666 -16.099
44 HB3 PRO 7 HB1 PRO 7 7.133 -12.286 -16.278
45 HG2 PRO 7 HG2 PRO 7 8.511 -10.108 -17.786
46 HG3 PRO 7 HG1 PRO 7 7.412 -11.362 -18.383
47 HD2 PRO 7 HD2 PRO 7 6.674 -8.754 -17.842
48 HD3 PRO 7 HD1 PRO 7 5.555 -10.130 -17.864
49 HA PRO 8 HA PRO 8 8.040 -11.891 -13.419
50 HB2 PRO 8 HB2 PRO 8 10.132 -12.645 -12.051
51 HB3 PRO 8 HB1 PRO 8 10.293 -12.423 -13.801
52 HG2 PRO 8 HG2 PRO 8 11.324 -10.717 -11.588
53 HG3 PRO 8 HG1 PRO 8 11.948 -10.914 -13.237
54 HD2 PRO 8 HD2 PRO 8 10.129 -8.877 -12.209
55 HD3 PRO 8 HD1 PRO 8 10.889 -8.974 -13.814
56 H PHE 9 HN PHE 9 7.069 -9.477 -11.957
57 HA PHE 9 HA PHE 9 7.130 -10.584 -9.245
58 HB2 PHE 9 HB2 PHE 9 7.801 -7.707 -9.876
59 HB3 PHE 9 HB1 PHE 9 7.424 -8.296 -8.264
60 HD1 PHE 9 HD1 PHE 9 8.889 -10.400 -7.535
61 HD2 PHE 9 HD2 PHE 9 9.999 -7.518 -10.458
62 HE1 PHE 9 HE1 PHE 9 11.256 -10.970 -7.191
63 HE2 PHE 9 HE2 PHE 9 12.366 -8.084 -10.124
64 HZ PHE 9 HZ PHE 9 13.001 -9.812 -8.489
65 H CYS 10 HN CYS 10 4.983 -11.184 -9.319
66 HA CYS 10 HA CYS 10 3.237 -9.144 -8.419
67 HB2 CYS 10 HB2 CYS 10 1.408 -9.402 -10.047
68 HB3 CYS 10 HB1 CYS 10 2.852 -8.751 -10.802
69 HN1 NH2 11 H1 CYS 10 2.998 -10.268 -6.600
70 HN2 NH2 11 H2 CYS 10 2.254 -11.824 -6.500
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 10.398 1.730 -8.029
2 H2 GLY 1 HT2 GLY 1 11.531 1.191 -6.905
3 H3 GLY 1 HT3 GLY 1 10.943 2.773 -6.822
4 HA2 GLY 1 HA1 GLY 1 9.933 1.351 -5.143
5 HA3 GLY 1 HA2 GLY 1 8.761 2.007 -6.272
6 H PHE 2 HN PHE 2 8.568 -0.381 -4.631
7 HA PHE 2 HA PHE 2 8.799 -2.560 -6.525
8 HB2 PHE 2 HB2 PHE 2 7.815 -2.514 -3.697
9 HB3 PHE 2 HB1 PHE 2 8.003 -3.962 -4.666
10 HD1 PHE 2 HD1 PHE 2 9.780 -1.307 -2.874
11 HD2 PHE 2 HD2 PHE 2 10.151 -4.882 -5.139
12 HE1 PHE 2 HE1 PHE 2 12.128 -1.495 -2.185
13 HE2 PHE 2 HE2 PHE 2 12.495 -5.079 -4.457
14 HZ PHE 2 HZ PHE 2 13.492 -3.386 -2.975
15 H ARG 3 HN ARG 3 7.289 -2.954 -7.848
16 HA ARG 3 HA ARG 3 4.475 -2.452 -7.160
17 HB2 ARG 3 HB2 ARG 3 5.839 -1.861 -9.788
18 HB3 ARG 3 HB1 ARG 3 4.104 -1.783 -9.517
19 HG2 ARG 3 HG2 ARG 3 4.411 0.002 -7.914
20 HG3 ARG 3 HG1 ARG 3 6.163 -0.096 -8.115
21 HD2 ARG 3 HD2 ARG 3 4.173 0.574 -10.270
22 HD3 ARG 3 HD1 ARG 3 5.188 1.739 -9.420
23 HE ARG 3 HE ARG 3 6.910 -0.139 -10.488
24 HH11 ARG 3 HH11 ARG 3 4.590 2.173 -11.741
25 HH12 ARG 3 HH12 ARG 3 5.413 2.373 -13.244
26 HH21 ARG 3 HH21 ARG 3 7.999 0.132 -12.467
27 HH22 ARG 3 HH22 ARG 3 7.362 1.207 -13.664
28 H SER 4 HN SER 4 3.006 -3.905 -8.153
29 HA SER 4 HA SER 4 4.206 -6.431 -8.825
30 HB2 SER 4 HB2 SER 4 1.299 -5.651 -8.637
31 HB3 SER 4 HB1 SER 4 1.918 -7.286 -8.894
32 HG SER 4 HG SER 4 2.041 -5.664 -6.587
33 H ALA 5 HN ALA 5 5.191 -5.607 -10.644
34 HA ALA 5 HA ALA 5 3.434 -5.590 -12.988
35 HB1 ALA 5 HB1 ALA 5 5.077 -4.170 -14.124
36 HB2 ALA 5 HB2 ALA 5 6.039 -4.103 -12.646
37 HB3 ALA 5 HB3 ALA 5 4.428 -3.382 -12.684
38 H CYS 6 HN CYS 6 3.697 -7.878 -12.894
39 HA CYS 6 HA CYS 6 6.318 -8.937 -13.419
40 HB2 CYS 6 HB2 CYS 6 5.041 -11.094 -13.878
41 HB3 CYS 6 HB1 CYS 6 4.919 -10.436 -12.253
42 HA PRO 7 HA PRO 7 6.887 -10.920 -14.432
43 HB2 PRO 7 HB2 PRO 7 8.898 -11.473 -16.106
44 HB3 PRO 7 HB1 PRO 7 7.276 -12.124 -16.372
45 HG2 PRO 7 HG2 PRO 7 8.628 -9.812 -17.698
46 HG3 PRO 7 HG1 PRO 7 7.588 -11.058 -18.406
47 HD2 PRO 7 HD2 PRO 7 6.750 -8.510 -17.700
48 HD3 PRO 7 HD1 PRO 7 5.680 -9.912 -17.888
49 HA PRO 8 HA PRO 8 8.202 -11.869 -13.526
50 HB2 PRO 8 HB2 PRO 8 10.321 -12.601 -12.180
51 HB3 PRO 8 HB1 PRO 8 10.490 -12.260 -13.909
52 HG2 PRO 8 HG2 PRO 8 11.374 -10.631 -11.573
53 HG3 PRO 8 HG1 PRO 8 12.075 -10.726 -13.202
54 HD2 PRO 8 HD2 PRO 8 10.167 -8.792 -12.170
55 HD3 PRO 8 HD1 PRO 8 10.924 -8.838 -13.777
56 H PHE 9 HN PHE 9 7.129 -9.577 -11.981
57 HA PHE 9 HA PHE 9 7.058 -10.810 -9.336
58 HB2 PHE 9 HB2 PHE 9 7.920 -7.940 -9.746
59 HB3 PHE 9 HB1 PHE 9 7.443 -8.611 -8.196
60 HD1 PHE 9 HD1 PHE 9 8.788 -10.791 -7.512
61 HD2 PHE 9 HD2 PHE 9 10.145 -7.845 -10.258
62 HE1 PHE 9 HE1 PHE 9 11.113 -11.485 -7.099
63 HE2 PHE 9 HE2 PHE 9 12.471 -8.535 -9.857
64 HZ PHE 9 HZ PHE 9 12.957 -10.356 -8.276
65 H CYS 10 HN CYS 10 4.888 -11.178 -9.246
66 HA CYS 10 HA CYS 10 3.275 -8.909 -8.654
67 HB2 CYS 10 HB2 CYS 10 1.465 -9.294 -10.282
68 HB3 CYS 10 HB1 CYS 10 2.964 -8.838 -11.072
69 HN1 NH2 11 H1 CYS 10 3.203 -9.927 -6.686
70 HN2 NH2 11 H2 CYS 10 2.209 -11.309 -6.394
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 3.829 0.871 -0.310
2 H2 GLY 1 HT2 GLY 1 3.887 -0.533 0.621
3 H3 GLY 1 HT3 GLY 1 2.508 0.443 0.660
4 HA2 GLY 1 HA1 GLY 1 2.090 -1.495 -0.683
5 HA3 GLY 1 HA2 GLY 1 2.091 -0.044 -1.676
6 H PHE 2 HN PHE 2 2.610 -2.817 -2.441
7 HA PHE 2 HA PHE 2 5.434 -2.654 -3.203
8 HB2 PHE 2 HB2 PHE 2 3.559 -5.024 -3.242
9 HB3 PHE 2 HB1 PHE 2 5.258 -5.059 -3.703
10 HD1 PHE 2 HD1 PHE 2 2.915 -5.301 -1.016
11 HD2 PHE 2 HD2 PHE 2 6.983 -4.470 -1.945
12 HE1 PHE 2 HE1 PHE 2 3.534 -5.726 1.324
13 HE2 PHE 2 HE2 PHE 2 7.608 -4.895 0.391
14 HZ PHE 2 HZ PHE 2 5.882 -5.525 2.032
15 H ARG 3 HN ARG 3 6.041 -2.944 -5.365
16 HA ARG 3 HA ARG 3 3.998 -2.085 -7.236
17 HB2 ARG 3 HB2 ARG 3 6.988 -2.321 -7.524
18 HB3 ARG 3 HB1 ARG 3 5.911 -1.783 -8.808
19 HG2 ARG 3 HG2 ARG 3 5.150 0.051 -7.346
20 HG3 ARG 3 HG1 ARG 3 6.344 -0.449 -6.148
21 HD2 ARG 3 HD2 ARG 3 6.931 0.447 -8.966
22 HD3 ARG 3 HD1 ARG 3 7.147 1.417 -7.511
23 HE ARG 3 HE ARG 3 8.583 -1.081 -7.502
24 HH11 ARG 3 HH11 ARG 3 8.703 2.331 -8.319
25 HH12 ARG 3 HH12 ARG 3 10.431 2.388 -8.374
26 HH21 ARG 3 HH21 ARG 3 10.875 -1.006 -7.573
27 HH22 ARG 3 HH22 ARG 3 11.672 0.477 -7.955
28 H SER 4 HN SER 4 3.041 -3.350 -8.623
29 HA SER 4 HA SER 4 4.027 -6.077 -8.935
30 HB2 SER 4 HB2 SER 4 1.215 -5.113 -9.433
31 HB3 SER 4 HB1 SER 4 1.786 -6.776 -9.331
32 HG SER 4 HG SER 4 0.770 -5.403 -7.411
33 H ALA 5 HN ALA 5 5.316 -5.719 -10.612
34 HA ALA 5 HA ALA 5 3.910 -5.298 -13.142
35 HB1 ALA 5 HB1 ALA 5 5.840 -4.131 -14.077
36 HB2 ALA 5 HB2 ALA 5 6.642 -4.195 -12.507
37 HB3 ALA 5 HB3 ALA 5 5.162 -3.254 -12.703
38 H CYS 6 HN CYS 6 3.837 -7.629 -13.051
39 HA CYS 6 HA CYS 6 6.386 -8.933 -13.480
40 HB2 CYS 6 HB2 CYS 6 4.983 -11.012 -13.771
41 HB3 CYS 6 HB1 CYS 6 4.899 -10.248 -12.192
42 HA PRO 7 HA PRO 7 6.869 -10.957 -14.444
43 HB2 PRO 7 HB2 PRO 7 8.918 -11.100 -16.472
44 HB3 PRO 7 HB1 PRO 7 7.742 -12.333 -16.018
45 HG2 PRO 7 HG2 PRO 7 7.726 -11.010 -18.428
46 HG3 PRO 7 HG1 PRO 7 6.292 -11.741 -17.686
47 HD2 PRO 7 HD2 PRO 7 7.168 -8.872 -17.693
48 HD3 PRO 7 HD1 PRO 7 5.539 -9.553 -17.884
49 HA PRO 8 HA PRO 8 8.142 -11.870 -13.489
50 HB2 PRO 8 HB2 PRO 8 10.267 -12.579 -12.125
51 HB3 PRO 8 HB1 PRO 8 10.414 -12.312 -13.869
52 HG2 PRO 8 HG2 PRO 8 11.403 -10.630 -11.626
53 HG3 PRO 8 HG1 PRO 8 12.007 -10.748 -13.288
54 HD2 PRO 8 HD2 PRO 8 10.122 -8.819 -12.165
55 HD3 PRO 8 HD1 PRO 8 10.868 -8.827 -13.780
56 H PHE 9 HN PHE 9 7.089 -9.530 -11.969
57 HA PHE 9 HA PHE 9 7.080 -10.728 -9.301
58 HB2 PHE 9 HB2 PHE 9 7.848 -7.843 -9.775
59 HB3 PHE 9 HB1 PHE 9 7.440 -8.513 -8.205
60 HD1 PHE 9 HD1 PHE 9 8.858 -10.736 -7.645
61 HD2 PHE 9 HD2 PHE 9 10.059 -7.605 -10.262
62 HE1 PHE 9 HE1 PHE 9 11.207 -11.360 -7.305
63 HE2 PHE 9 HE2 PHE 9 12.412 -8.226 -9.931
64 HZ PHE 9 HZ PHE 9 12.991 -10.106 -8.450
65 H CYS 10 HN CYS 10 4.913 -11.195 -9.298
66 HA CYS 10 HA CYS 10 3.260 -9.017 -8.514
67 HB2 CYS 10 HB2 CYS 10 1.434 -9.299 -10.137
68 HB3 CYS 10 HB1 CYS 10 2.912 -8.768 -10.921
69 HN1 NH2 11 H1 CYS 10 3.230 -10.178 -6.626
70 HN2 NH2 11 H2 CYS 10 2.283 -11.612 -6.435
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 0.292 3.490 -1.400
2 H2 GLY 1 HT2 GLY 1 1.580 3.559 -2.489
3 H3 GLY 1 HT3 GLY 1 1.717 2.633 -1.086
4 HA2 GLY 1 HA1 GLY 1 -0.012 1.153 -1.873
5 HA3 GLY 1 HA2 GLY 1 -0.145 2.131 -3.328
6 H PHE 2 HN PHE 2 0.829 -0.726 -2.535
7 HA PHE 2 HA PHE 2 3.495 -0.660 -3.678
8 HB2 PHE 2 HB2 PHE 2 1.830 -2.905 -2.551
9 HB3 PHE 2 HB1 PHE 2 3.402 -3.152 -3.298
10 HD1 PHE 2 HD1 PHE 2 1.665 -2.360 -0.294
11 HD2 PHE 2 HD2 PHE 2 5.394 -1.922 -2.287
12 HE1 PHE 2 HE1 PHE 2 2.756 -1.908 1.862
13 HE2 PHE 2 HE2 PHE 2 6.496 -1.470 -0.137
14 HZ PHE 2 HZ PHE 2 5.176 -1.464 1.943
15 H ARG 3 HN ARG 3 4.083 -1.736 -5.540
16 HA ARG 3 HA ARG 3 1.909 -2.503 -7.343
17 HB2 ARG 3 HB2 ARG 3 4.188 -0.643 -7.993
18 HB3 ARG 3 HB1 ARG 3 3.084 -1.323 -9.179
19 HG2 ARG 3 HG2 ARG 3 1.225 -0.173 -8.177
20 HG3 ARG 3 HG1 ARG 3 2.255 0.421 -6.874
21 HD2 ARG 3 HD2 ARG 3 2.614 1.035 -9.792
22 HD3 ARG 3 HD1 ARG 3 1.839 2.105 -8.621
23 HE ARG 3 HE ARG 3 4.366 1.458 -7.636
24 HH11 ARG 3 HH11 ARG 3 2.979 3.196 -10.344
25 HH12 ARG 3 HH12 ARG 3 4.310 4.291 -10.490
26 HH21 ARG 3 HH21 ARG 3 6.123 2.904 -7.820
27 HH22 ARG 3 HH22 ARG 3 6.116 4.117 -9.053
28 H SER 4 HN SER 4 2.523 -3.982 -8.974
29 HA SER 4 HA SER 4 5.179 -5.082 -8.924
30 HB2 SER 4 HB2 SER 4 2.736 -6.737 -8.249
31 HB3 SER 4 HB1 SER 4 4.342 -7.382 -8.578
32 HG SER 4 HG SER 4 3.548 -5.716 -6.416
33 H ALA 5 HN ALA 5 5.573 -4.873 -10.974
34 HA ALA 5 HA ALA 5 3.537 -5.547 -12.950
35 HB1 ALA 5 HB1 ALA 5 4.379 -3.266 -13.120
36 HB2 ALA 5 HB2 ALA 5 4.838 -4.220 -14.534
37 HB3 ALA 5 HB3 ALA 5 6.026 -3.880 -13.277
38 H CYS 6 HN CYS 6 3.890 -7.720 -12.828
39 HA CYS 6 HA CYS 6 6.446 -8.840 -13.461
40 HB2 CYS 6 HB2 CYS 6 5.180 -11.002 -13.674
41 HB3 CYS 6 HB1 CYS 6 4.994 -10.193 -12.127
42 HA PRO 7 HA PRO 7 6.885 -10.989 -14.453
43 HB2 PRO 7 HB2 PRO 7 8.894 -11.044 -16.552
44 HB3 PRO 7 HB1 PRO 7 7.813 -12.335 -16.027
45 HG2 PRO 7 HG2 PRO 7 7.593 -11.098 -18.445
46 HG3 PRO 7 HG1 PRO 7 6.216 -11.812 -17.588
47 HD2 PRO 7 HD2 PRO 7 7.064 -8.942 -17.754
48 HD3 PRO 7 HD1 PRO 7 5.434 -9.641 -17.839
49 HA PRO 8 HA PRO 8 8.142 -11.892 -13.466
50 HB2 PRO 8 HB2 PRO 8 10.253 -12.591 -12.087
51 HB3 PRO 8 HB1 PRO 8 10.423 -12.332 -13.830
52 HG2 PRO 8 HG2 PRO 8 11.354 -10.624 -11.575
53 HG3 PRO 8 HG1 PRO 8 12.023 -10.785 -13.212
54 HD2 PRO 8 HD2 PRO 8 10.144 -8.801 -12.211
55 HD3 PRO 8 HD1 PRO 8 10.900 -8.890 -13.816
56 H PHE 9 HN PHE 9 7.096 -9.533 -12.005
57 HA PHE 9 HA PHE 9 7.095 -10.652 -9.303
58 HB2 PHE 9 HB2 PHE 9 7.747 -7.758 -9.897
59 HB3 PHE 9 HB1 PHE 9 7.357 -8.378 -8.301
60 HD1 PHE 9 HD1 PHE 9 8.873 -10.383 -7.508
61 HD2 PHE 9 HD2 PHE 9 9.939 -7.572 -10.514
62 HE1 PHE 9 HE1 PHE 9 11.248 -10.891 -7.131
63 HE2 PHE 9 HE2 PHE 9 12.317 -8.077 -10.148
64 HZ PHE 9 HZ PHE 9 12.974 -9.739 -8.455
65 H CYS 10 HN CYS 10 4.952 -11.171 -9.214
66 HA CYS 10 HA CYS 10 3.212 -9.022 -8.595
67 HB2 CYS 10 HB2 CYS 10 1.380 -9.543 -10.192
68 HB3 CYS 10 HB1 CYS 10 2.805 -8.871 -10.966
69 HN1 NH2 11 H1 CYS 10 3.309 -10.109 -6.653
70 HN2 NH2 11 H2 CYS 10 2.368 -11.531 -6.364
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 5.365 -1.395 0.749
2 H2 GLY 1 HT2 GLY 1 4.169 -2.573 0.917
3 H3 GLY 1 HT3 GLY 1 3.872 -0.988 1.423
4 HA2 GLY 1 HA1 GLY 1 2.777 -1.467 -0.680
5 HA3 GLY 1 HA2 GLY 1 3.968 -0.180 -0.813
6 H PHE 2 HN PHE 2 2.945 -3.170 -1.995
7 HA PHE 2 HA PHE 2 5.500 -3.664 -3.342
8 HB2 PHE 2 HB2 PHE 2 3.054 -5.404 -3.026
9 HB3 PHE 2 HB1 PHE 2 4.455 -5.842 -3.992
10 HD1 PHE 2 HD1 PHE 2 3.063 -5.618 -0.666
11 HD2 PHE 2 HD2 PHE 2 6.625 -6.251 -2.896
12 HE1 PHE 2 HE1 PHE 2 4.130 -6.586 1.325
13 HE2 PHE 2 HE2 PHE 2 7.701 -7.217 -0.916
14 HZ PHE 2 HZ PHE 2 6.455 -7.389 1.204
15 H ARG 3 HN ARG 3 5.603 -3.831 -5.575
16 HA ARG 3 HA ARG 3 3.270 -2.785 -7.017
17 HB2 ARG 3 HB2 ARG 3 6.196 -2.267 -7.426
18 HB3 ARG 3 HB1 ARG 3 5.025 -2.007 -8.715
19 HG2 ARG 3 HG2 ARG 3 3.833 -0.413 -7.371
20 HG3 ARG 3 HG1 ARG 3 4.897 -0.726 -5.999
21 HD2 ARG 3 HD2 ARG 3 5.812 0.335 -8.660
22 HD3 ARG 3 HD1 ARG 3 5.443 1.347 -7.265
23 HE ARG 3 HE ARG 3 7.289 -0.584 -6.463
24 HH11 ARG 3 HH11 ARG 3 7.152 2.162 -8.631
25 HH12 ARG 3 HH12 ARG 3 8.823 2.560 -8.448
26 HH21 ARG 3 HH21 ARG 3 9.517 -0.061 -6.216
27 HH22 ARG 3 HH22 ARG 3 10.173 1.286 -7.080
28 H SER 4 HN SER 4 2.343 -4.310 -8.109
29 HA SER 4 HA SER 4 3.829 -6.671 -8.811
30 HB2 SER 4 HB2 SER 4 1.470 -7.481 -9.417
31 HB3 SER 4 HB1 SER 4 1.866 -7.259 -7.709
32 HG SER 4 HG SER 4 0.113 -5.866 -9.335
33 H ALA 5 HN ALA 5 4.967 -5.724 -10.455
34 HA ALA 5 HA ALA 5 3.443 -5.556 -12.961
35 HB1 ALA 5 HB1 ALA 5 6.045 -4.169 -12.323
36 HB2 ALA 5 HB2 ALA 5 4.463 -3.395 -12.442
37 HB3 ALA 5 HB3 ALA 5 5.201 -4.129 -13.869
38 H CYS 6 HN CYS 6 3.666 -7.887 -12.951
39 HA CYS 6 HA CYS 6 6.334 -8.890 -13.398
40 HB2 CYS 6 HB2 CYS 6 5.128 -11.087 -13.870
41 HB3 CYS 6 HB1 CYS 6 4.966 -10.436 -12.247
42 HA PRO 7 HA PRO 7 6.872 -10.923 -14.436
43 HB2 PRO 7 HB2 PRO 7 8.887 -11.142 -16.463
44 HB3 PRO 7 HB1 PRO 7 7.612 -12.297 -16.075
45 HG2 PRO 7 HG2 PRO 7 7.748 -10.850 -18.430
46 HG3 PRO 7 HG1 PRO 7 6.267 -11.560 -17.768
47 HD2 PRO 7 HD2 PRO 7 7.254 -8.736 -17.599
48 HD3 PRO 7 HD1 PRO 7 5.602 -9.338 -17.853
49 HA PRO 8 HA PRO 8 8.108 -11.885 -13.485
50 HB2 PRO 8 HB2 PRO 8 10.209 -12.665 -12.107
51 HB3 PRO 8 HB1 PRO 8 10.353 -12.442 -13.856
52 HG2 PRO 8 HG2 PRO 8 11.451 -10.777 -11.659
53 HG3 PRO 8 HG1 PRO 8 12.010 -10.929 -13.334
54 HD2 PRO 8 HD2 PRO 8 10.226 -8.922 -12.176
55 HD3 PRO 8 HD1 PRO 8 10.951 -8.956 -13.799
56 H PHE 9 HN PHE 9 7.146 -9.512 -11.995
57 HA PHE 9 HA PHE 9 7.103 -10.680 -9.308
58 HB2 PHE 9 HB2 PHE 9 7.794 -7.781 -9.834
59 HB3 PHE 9 HB1 PHE 9 7.439 -8.453 -8.251
60 HD1 PHE 9 HD1 PHE 9 8.944 -10.613 -7.695
61 HD2 PHE 9 HD2 PHE 9 9.986 -7.482 -10.379
62 HE1 PHE 9 HE1 PHE 9 11.321 -11.156 -7.400
63 HE2 PHE 9 HE2 PHE 9 12.367 -8.022 -10.092
64 HZ PHE 9 HZ PHE 9 13.039 -9.862 -8.601
65 H CYS 10 HN CYS 10 4.956 -11.149 -9.217
66 HA CYS 10 HA CYS 10 3.232 -8.960 -8.688
67 HB2 CYS 10 HB2 CYS 10 1.446 -9.460 -10.313
68 HB3 CYS 10 HB1 CYS 10 2.919 -8.921 -11.096
69 HN1 NH2 11 H1 CYS 10 2.913 -9.775 -6.731
70 HN2 NH2 11 H2 CYS 10 2.097 -11.265 -6.413
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 2.482 2.130 -1.000
2 H2 GLY 1 HT2 GLY 1 1.329 0.917 -0.761
3 H3 GLY 1 HT3 GLY 1 0.835 2.504 -1.051
4 HA2 GLY 1 HA1 GLY 1 0.563 1.141 -3.027
5 HA3 GLY 1 HA2 GLY 1 1.728 2.434 -3.273
6 H PHE 2 HN PHE 2 1.214 -0.639 -4.033
7 HA PHE 2 HA PHE 2 4.046 -1.379 -3.781
8 HB2 PHE 2 HB2 PHE 2 1.612 -3.125 -4.086
9 HB3 PHE 2 HB1 PHE 2 3.262 -3.719 -4.207
10 HD1 PHE 2 HD1 PHE 2 0.561 -3.050 -2.025
11 HD2 PHE 2 HD2 PHE 2 4.801 -3.275 -2.206
12 HE1 PHE 2 HE1 PHE 2 0.648 -3.335 0.414
13 HE2 PHE 2 HE2 PHE 2 4.897 -3.560 0.227
14 HZ PHE 2 HZ PHE 2 2.818 -3.589 1.544
15 H ARG 3 HN ARG 3 5.161 -2.020 -5.516
16 HA ARG 3 HA ARG 3 3.871 -1.603 -8.114
17 HB2 ARG 3 HB2 ARG 3 6.730 -1.214 -7.264
18 HB3 ARG 3 HB1 ARG 3 6.202 -1.201 -8.943
19 HG2 ARG 3 HG2 ARG 3 4.747 0.674 -8.490
20 HG3 ARG 3 HG1 ARG 3 5.241 0.665 -6.795
21 HD2 ARG 3 HD2 ARG 3 7.051 1.105 -9.161
22 HD3 ARG 3 HD1 ARG 3 6.447 2.366 -8.087
23 HE ARG 3 HE ARG 3 7.668 0.726 -6.360
24 HH11 ARG 3 HH11 ARG 3 8.743 2.064 -9.407
25 HH12 ARG 3 HH12 ARG 3 10.413 2.077 -8.965
26 HH21 ARG 3 HH21 ARG 3 9.891 0.740 -5.768
27 HH22 ARG 3 HH22 ARG 3 11.071 1.330 -6.886
28 H SER 4 HN SER 4 3.478 -3.377 -9.124
29 HA SER 4 HA SER 4 5.410 -5.550 -9.053
30 HB2 SER 4 HB2 SER 4 2.466 -5.928 -8.480
31 HB3 SER 4 HB1 SER 4 3.656 -7.213 -8.681
32 HG SER 4 HG SER 4 4.523 -5.429 -6.862
33 H ALA 5 HN ALA 5 5.871 -4.896 -11.147
34 HA ALA 5 HA ALA 5 3.770 -5.339 -13.122
35 HB1 ALA 5 HB1 ALA 5 6.404 -3.892 -13.411
36 HB2 ALA 5 HB2 ALA 5 4.817 -3.135 -13.257
37 HB3 ALA 5 HB3 ALA 5 5.201 -4.105 -14.681
38 H CYS 6 HN CYS 6 3.986 -7.569 -12.905
39 HA CYS 6 HA CYS 6 6.475 -8.831 -13.539
40 HB2 CYS 6 HB2 CYS 6 5.135 -10.933 -13.622
41 HB3 CYS 6 HB1 CYS 6 4.989 -10.045 -12.113
42 HA PRO 7 HA PRO 7 6.886 -11.016 -14.471
43 HB2 PRO 7 HB2 PRO 7 8.933 -11.457 -16.178
44 HB3 PRO 7 HB1 PRO 7 7.363 -12.246 -16.357
45 HG2 PRO 7 HG2 PRO 7 8.448 -9.850 -17.785
46 HG3 PRO 7 HG1 PRO 7 7.550 -11.230 -18.442
47 HD2 PRO 7 HD2 PRO 7 6.393 -8.827 -17.889
48 HD3 PRO 7 HD1 PRO 7 5.515 -10.366 -17.797
49 HA PRO 8 HA PRO 8 8.164 -11.880 -13.460
50 HB2 PRO 8 HB2 PRO 8 10.309 -12.532 -12.123
51 HB3 PRO 8 HB1 PRO 8 10.455 -12.239 -13.864
52 HG2 PRO 8 HG2 PRO 8 11.348 -10.534 -11.586
53 HG3 PRO 8 HG1 PRO 8 12.015 -10.650 -13.228
54 HD2 PRO 8 HD2 PRO 8 10.064 -8.748 -12.189
55 HD3 PRO 8 HD1 PRO 8 10.826 -8.778 -13.796
56 H PHE 9 HN PHE 9 7.069 -9.553 -11.960
57 HA PHE 9 HA PHE 9 7.082 -10.717 -9.281
58 HB2 PHE 9 HB2 PHE 9 7.799 -7.824 -9.794
59 HB3 PHE 9 HB1 PHE 9 7.381 -8.469 -8.216
60 HD1 PHE 9 HD1 PHE 9 8.835 -10.573 -7.502
61 HD2 PHE 9 HD2 PHE 9 10.008 -7.633 -10.339
62 HE1 PHE 9 HE1 PHE 9 11.192 -11.147 -7.116
63 HE2 PHE 9 HE2 PHE 9 12.368 -8.205 -9.962
64 HZ PHE 9 HZ PHE 9 12.965 -9.964 -8.348
65 H CYS 10 HN CYS 10 4.926 -11.205 -9.208
66 HA CYS 10 HA CYS 10 3.221 -9.052 -8.517
67 HB2 CYS 10 HB2 CYS 10 1.382 -9.483 -10.133
68 HB3 CYS 10 HB1 CYS 10 2.819 -8.803 -10.878
69 HN1 NH2 11 H1 CYS 10 2.798 -9.908 -6.630
70 HN2 NH2 11 H2 CYS 10 2.042 -11.442 -6.380
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 4.820 2.431 -1.468
2 H2 GLY 1 HT2 GLY 1 5.295 1.003 -0.701
3 H3 GLY 1 HT3 GLY 1 3.947 1.853 -0.137
4 HA2 GLY 1 HA1 GLY 1 3.272 -0.081 -1.388
5 HA3 GLY 1 HA2 GLY 1 2.768 1.406 -2.175
6 H PHE 2 HN PHE 2 3.710 -1.485 -2.946
7 HA PHE 2 HA PHE 2 5.443 -0.575 -5.140
8 HB2 PHE 2 HB2 PHE 2 5.399 -3.232 -3.713
9 HB3 PHE 2 HB1 PHE 2 6.231 -2.976 -5.242
10 HD1 PHE 2 HD1 PHE 2 6.354 -2.533 -1.662
11 HD2 PHE 2 HD2 PHE 2 8.134 -1.390 -5.349
12 HE1 PHE 2 HE1 PHE 2 8.339 -1.737 -0.450
13 HE2 PHE 2 HE2 PHE 2 10.124 -0.591 -4.149
14 HZ PHE 2 HZ PHE 2 10.231 -0.764 -1.693
15 H ARG 3 HN ARG 3 5.045 -1.423 -7.187
16 HA ARG 3 HA ARG 3 2.287 -2.341 -7.519
17 HB2 ARG 3 HB2 ARG 3 4.159 -1.006 -9.470
18 HB3 ARG 3 HB1 ARG 3 2.544 -1.575 -9.869
19 HG2 ARG 3 HG2 ARG 3 1.615 -0.053 -8.172
20 HG3 ARG 3 HG1 ARG 3 3.240 0.554 -7.860
21 HD2 ARG 3 HD2 ARG 3 1.808 0.668 -10.505
22 HD3 ARG 3 HD1 ARG 3 1.953 2.008 -9.370
23 HE ARG 3 HE ARG 3 4.419 0.796 -10.333
24 HH11 ARG 3 HH11 ARG 3 2.134 3.455 -10.550
25 HH12 ARG 3 HH12 ARG 3 3.241 4.496 -11.371
26 HH21 ARG 3 HH21 ARG 3 5.873 2.184 -11.427
27 HH22 ARG 3 HH22 ARG 3 5.364 3.775 -11.876
28 H SER 4 HN SER 4 1.804 -4.047 -8.909
29 HA SER 4 HA SER 4 3.880 -6.048 -9.008
30 HB2 SER 4 HB2 SER 4 0.902 -6.258 -9.484
31 HB3 SER 4 HB1 SER 4 2.031 -7.608 -9.435
32 HG SER 4 HG SER 4 2.364 -6.149 -7.228
33 H ALA 5 HN ALA 5 5.001 -5.163 -10.722
34 HA ALA 5 HA ALA 5 3.677 -5.323 -13.328
35 HB1 ALA 5 HB1 ALA 5 6.283 -3.989 -12.621
36 HB2 ALA 5 HB2 ALA 5 4.741 -3.175 -12.899
37 HB3 ALA 5 HB3 ALA 5 5.545 -4.031 -14.221
38 H CYS 6 HN CYS 6 3.794 -7.629 -13.151
39 HA CYS 6 HA CYS 6 6.415 -8.787 -13.508
40 HB2 CYS 6 HB2 CYS 6 5.030 -10.931 -13.895
41 HB3 CYS 6 HB1 CYS 6 5.057 -10.241 -12.281
42 HA PRO 7 HA PRO 7 6.824 -10.942 -14.465
43 HB2 PRO 7 HB2 PRO 7 8.804 -11.653 -16.119
44 HB3 PRO 7 HB1 PRO 7 7.145 -12.214 -16.367
45 HG2 PRO 7 HG2 PRO 7 8.631 -10.024 -17.756
46 HG3 PRO 7 HG1 PRO 7 7.513 -11.222 -18.429
47 HD2 PRO 7 HD2 PRO 7 6.837 -8.608 -17.789
48 HD3 PRO 7 HD1 PRO 7 5.679 -9.946 -17.934
49 HA PRO 8 HA PRO 8 7.988 -11.898 -13.424
50 HB2 PRO 8 HB2 PRO 8 10.042 -12.731 -12.040
51 HB3 PRO 8 HB1 PRO 8 10.230 -12.497 -13.784
52 HG2 PRO 8 HG2 PRO 8 11.299 -10.847 -11.549
53 HG3 PRO 8 HG1 PRO 8 11.920 -11.038 -13.196
54 HD2 PRO 8 HD2 PRO 8 10.144 -8.971 -12.145
55 HD3 PRO 8 HD1 PRO 8 10.926 -9.055 -13.739
56 H PHE 9 HN PHE 9 7.068 -9.479 -11.995
57 HA PHE 9 HA PHE 9 7.165 -10.491 -9.238
58 HB2 PHE 9 HB2 PHE 9 7.581 -7.591 -9.976
59 HB3 PHE 9 HB1 PHE 9 7.420 -8.214 -8.342
60 HD1 PHE 9 HD1 PHE 9 9.169 -10.241 -7.875
61 HD2 PHE 9 HD2 PHE 9 9.679 -7.072 -10.665
62 HE1 PHE 9 HE1 PHE 9 11.609 -10.537 -7.763
63 HE2 PHE 9 HE2 PHE 9 12.117 -7.366 -10.561
64 HZ PHE 9 HZ PHE 9 13.086 -9.101 -9.109
65 H CYS 10 HN CYS 10 5.029 -11.178 -9.237
66 HA CYS 10 HA CYS 10 3.216 -9.128 -8.482
67 HB2 CYS 10 HB2 CYS 10 1.372 -9.703 -10.066
68 HB3 CYS 10 HB1 CYS 10 2.732 -8.886 -10.814
69 HN1 NH2 11 H1 CYS 10 3.033 -10.082 -6.572
70 HN2 NH2 11 H2 CYS 10 2.319 -11.635 -6.315
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 -2.101 -1.651 -0.281
2 H2 GLY 1 HT2 GLY 1 -3.082 -2.447 -1.406
3 H3 GLY 1 HT3 GLY 1 -3.443 -0.864 -0.943
4 HA2 GLY 1 HA1 GLY 1 -2.438 -0.921 -3.126
5 HA3 GLY 1 HA2 GLY 1 -1.449 -0.049 -1.964
6 H PHE 2 HN PHE 2 -1.448 -2.384 -4.319
7 HA PHE 2 HA PHE 2 1.168 -3.358 -3.410
8 HB2 PHE 2 HB2 PHE 2 -0.949 -4.929 -4.884
9 HB3 PHE 2 HB1 PHE 2 0.697 -5.480 -4.633
10 HD1 PHE 2 HD1 PHE 2 -2.591 -5.503 -3.376
11 HD2 PHE 2 HD2 PHE 2 1.481 -5.610 -2.162
12 HE1 PHE 2 HE1 PHE 2 -3.258 -6.510 -1.237
13 HE2 PHE 2 HE2 PHE 2 0.824 -6.614 -0.024
14 HZ PHE 2 HZ PHE 2 -1.551 -7.066 0.443
15 H ARG 3 HN ARG 3 2.727 -3.509 -4.972
16 HA ARG 3 HA ARG 3 2.007 -2.404 -7.587
17 HB2 ARG 3 HB2 ARG 3 4.542 -2.179 -5.990
18 HB3 ARG 3 HB1 ARG 3 4.492 -1.838 -7.717
19 HG2 ARG 3 HG2 ARG 3 2.805 -0.136 -7.346
20 HG3 ARG 3 HG1 ARG 3 2.832 -0.473 -5.616
21 HD2 ARG 3 HD2 ARG 3 5.178 0.483 -7.241
22 HD3 ARG 3 HD1 ARG 3 4.163 1.506 -6.225
23 HE ARG 3 HE ARG 3 5.077 -0.532 -4.605
24 HH11 ARG 3 HH11 ARG 3 6.489 2.064 -6.483
25 HH12 ARG 3 HH12 ARG 3 7.872 2.233 -5.456
26 HH21 ARG 3 HH21 ARG 3 6.899 -0.312 -3.235
27 HH22 ARG 3 HH22 ARG 3 8.101 0.875 -3.596
28 H SER 4 HN SER 4 1.772 -3.967 -8.950
29 HA SER 4 HA SER 4 3.676 -6.166 -8.956
30 HB2 SER 4 HB2 SER 4 0.670 -6.410 -9.151
31 HB3 SER 4 HB1 SER 4 1.819 -7.731 -9.357
32 HG SER 4 HG SER 4 2.556 -6.934 -7.136
33 H ALA 5 HN ALA 5 4.677 -5.560 -10.741
34 HA ALA 5 HA ALA 5 3.100 -5.640 -13.209
35 HB1 ALA 5 HB1 ALA 5 5.536 -3.935 -12.706
36 HB2 ALA 5 HB2 ALA 5 3.876 -3.356 -12.886
37 HB3 ALA 5 HB3 ALA 5 4.706 -4.113 -14.251
38 H CYS 6 HN CYS 6 3.540 -7.897 -13.123
39 HA CYS 6 HA CYS 6 6.267 -8.749 -13.422
40 HB2 CYS 6 HB2 CYS 6 5.049 -10.988 -14.028
41 HB3 CYS 6 HB1 CYS 6 5.055 -10.413 -12.368
42 HA PRO 7 HA PRO 7 6.852 -10.865 -14.387
43 HB2 PRO 7 HB2 PRO 7 8.813 -11.631 -16.015
44 HB3 PRO 7 HB1 PRO 7 7.143 -12.146 -16.294
45 HG2 PRO 7 HG2 PRO 7 8.718 -10.011 -17.662
46 HG3 PRO 7 HG1 PRO 7 7.569 -11.173 -18.347
47 HD2 PRO 7 HD2 PRO 7 6.982 -8.523 -17.684
48 HD3 PRO 7 HD1 PRO 7 5.785 -9.812 -17.918
49 HA PRO 8 HA PRO 8 8.112 -11.906 -13.485
50 HB2 PRO 8 HB2 PRO 8 10.171 -12.743 -12.109
51 HB3 PRO 8 HB1 PRO 8 10.380 -12.438 -13.841
52 HG2 PRO 8 HG2 PRO 8 11.311 -10.817 -11.513
53 HG3 PRO 8 HG1 PRO 8 12.055 -11.009 -13.116
54 HD2 PRO 8 HD2 PRO 8 10.279 -8.911 -12.206
55 HD3 PRO 8 HD1 PRO 8 11.035 -9.083 -13.804
56 H PHE 9 HN PHE 9 7.120 -9.550 -12.006
57 HA PHE 9 HA PHE 9 7.087 -10.689 -9.314
58 HB2 PHE 9 HB2 PHE 9 7.847 -7.826 -9.891
59 HB3 PHE 9 HB1 PHE 9 7.391 -8.417 -8.300
60 HD1 PHE 9 HD1 PHE 9 8.774 -10.449 -7.431
61 HD2 PHE 9 HD2 PHE 9 10.058 -7.805 -10.495
62 HE1 PHE 9 HE1 PHE 9 11.104 -11.091 -7.001
63 HE2 PHE 9 HE2 PHE 9 12.395 -8.446 -10.072
64 HZ PHE 9 HZ PHE 9 12.919 -10.090 -8.323
65 H CYS 10 HN CYS 10 4.980 -11.150 -9.139
66 HA CYS 10 HA CYS 10 3.238 -8.980 -8.615
67 HB2 CYS 10 HB2 CYS 10 1.399 -9.658 -10.183
68 HB3 CYS 10 HB1 CYS 10 2.789 -8.919 -10.961
69 HN1 NH2 11 H1 CYS 10 3.224 -9.897 -6.618
70 HN2 NH2 11 H2 CYS 10 2.345 -11.341 -6.256
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 7.171 1.414 -0.508
2 H2 GLY 1 HT2 GLY 1 7.891 1.355 -2.035
3 H3 GLY 1 HT3 GLY 1 8.071 0.060 -0.974
4 HA2 GLY 1 HA1 GLY 1 5.719 -0.418 -1.108
5 HA3 GLY 1 HA2 GLY 1 5.531 0.948 -2.199
6 H PHE 2 HN PHE 2 4.977 -1.897 -2.647
7 HA PHE 2 HA PHE 2 6.829 -2.322 -4.894
8 HB2 PHE 2 HB2 PHE 2 5.465 -4.401 -3.184
9 HB3 PHE 2 HB1 PHE 2 6.330 -4.760 -4.668
10 HD1 PHE 2 HD1 PHE 2 6.591 -4.199 -1.142
11 HD2 PHE 2 HD2 PHE 2 8.787 -4.230 -4.783
12 HE1 PHE 2 HE1 PHE 2 8.689 -4.391 0.128
13 HE2 PHE 2 HE2 PHE 2 10.884 -4.421 -3.526
14 HZ PHE 2 HZ PHE 2 10.841 -4.503 -1.064
15 H ARG 3 HN ARG 3 5.964 -2.944 -6.822
16 HA ARG 3 HA ARG 3 3.032 -2.815 -7.018
17 HB2 ARG 3 HB2 ARG 3 5.099 -1.832 -8.986
18 HB3 ARG 3 HB1 ARG 3 3.371 -1.893 -9.299
19 HG2 ARG 3 HG2 ARG 3 2.988 -0.342 -7.443
20 HG3 ARG 3 HG1 ARG 3 4.729 -0.259 -7.171
21 HD2 ARG 3 HD2 ARG 3 3.323 0.505 -9.717
22 HD3 ARG 3 HD1 ARG 3 3.866 1.638 -8.481
23 HE ARG 3 HE ARG 3 6.150 0.416 -9.049
24 HH11 ARG 3 HH11 ARG 3 3.680 1.663 -11.210
25 HH12 ARG 3 HH12 ARG 3 4.787 1.997 -12.495
26 HH21 ARG 3 HH21 ARG 3 7.619 0.872 -10.757
27 HH22 ARG 3 HH22 ARG 3 7.031 1.542 -12.240
28 H SER 4 HN SER 4 2.057 -4.166 -8.565
29 HA SER 4 HA SER 4 3.502 -6.618 -8.961
30 HB2 SER 4 HB2 SER 4 0.635 -5.916 -9.614
31 HB3 SER 4 HB1 SER 4 1.349 -7.527 -9.649
32 HG SER 4 HG SER 4 0.256 -7.197 -7.695
33 H ALA 5 HN ALA 5 4.946 -5.645 -10.434
34 HA ALA 5 HA ALA 5 3.821 -5.375 -13.125
35 HB1 ALA 5 HB1 ALA 5 4.972 -3.352 -12.417
36 HB2 ALA 5 HB2 ALA 5 5.843 -4.145 -13.736
37 HB3 ALA 5 HB3 ALA 5 6.431 -4.290 -12.081
38 H CYS 6 HN CYS 6 3.778 -7.693 -13.129
39 HA CYS 6 HA CYS 6 6.387 -8.901 -13.476
40 HB2 CYS 6 HB2 CYS 6 5.005 -11.014 -13.931
41 HB3 CYS 6 HB1 CYS 6 4.996 -10.370 -12.299
42 HA PRO 7 HA PRO 7 6.832 -10.910 -14.453
43 HB2 PRO 7 HB2 PRO 7 8.792 -11.609 -16.145
44 HB3 PRO 7 HB1 PRO 7 7.134 -12.186 -16.347
45 HG2 PRO 7 HG2 PRO 7 8.595 -10.069 -17.840
46 HG3 PRO 7 HG1 PRO 7 7.361 -11.201 -18.412
47 HD2 PRO 7 HD2 PRO 7 6.945 -8.509 -17.685
48 HD3 PRO 7 HD1 PRO 7 5.686 -9.732 -17.938
49 HA PRO 8 HA PRO 8 8.024 -11.887 -13.450
50 HB2 PRO 8 HB2 PRO 8 10.090 -12.718 -12.067
51 HB3 PRO 8 HB1 PRO 8 10.257 -12.503 -13.817
52 HG2 PRO 8 HG2 PRO 8 11.352 -10.838 -11.608
53 HG3 PRO 8 HG1 PRO 8 11.965 -11.055 -13.259
54 HD2 PRO 8 HD2 PRO 8 10.234 -8.947 -12.221
55 HD3 PRO 8 HD1 PRO 8 10.973 -9.077 -13.832
56 H PHE 9 HN PHE 9 7.098 -9.478 -11.993
57 HA PHE 9 HA PHE 9 7.133 -10.562 -9.262
58 HB2 PHE 9 HB2 PHE 9 7.685 -7.661 -9.922
59 HB3 PHE 9 HB1 PHE 9 7.402 -8.284 -8.304
60 HD1 PHE 9 HD1 PHE 9 9.026 -10.203 -7.556
61 HD2 PHE 9 HD2 PHE 9 9.831 -7.447 -10.688
62 HE1 PHE 9 HE1 PHE 9 11.435 -10.629 -7.307
63 HE2 PHE 9 HE2 PHE 9 12.241 -7.869 -10.449
64 HZ PHE 9 HZ PHE 9 13.047 -9.464 -8.755
65 H CYS 10 HN CYS 10 4.990 -11.159 -9.205
66 HA CYS 10 HA CYS 10 3.207 -9.064 -8.539
67 HB2 CYS 10 HB2 CYS 10 1.383 -9.592 -10.135
68 HB3 CYS 10 HB1 CYS 10 2.787 -8.875 -10.904
69 HN1 NH2 11 H1 CYS 10 2.820 -9.912 -6.639
70 HN2 NH2 11 H2 CYS 10 2.124 -11.467 -6.361
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 5.818 4.511 -3.318
2 H2 GLY 1 HT2 GLY 1 6.361 4.113 -4.869
3 H3 GLY 1 HT3 GLY 1 7.044 3.365 -3.519
4 HA2 GLY 1 HA1 GLY 1 4.999 2.251 -3.016
5 HA3 GLY 1 HA2 GLY 1 4.223 3.078 -4.361
6 H PHE 2 HN PHE 2 4.827 0.169 -3.709
7 HA PHE 2 HA PHE 2 6.385 -0.480 -6.105
8 HB2 PHE 2 HB2 PHE 2 5.627 -2.186 -3.737
9 HB3 PHE 2 HB1 PHE 2 6.467 -2.788 -5.159
10 HD1 PHE 2 HD1 PHE 2 6.805 -1.168 -1.988
11 HD2 PHE 2 HD2 PHE 2 8.718 -1.810 -5.732
12 HE1 PHE 2 HE1 PHE 2 8.958 -0.520 -0.997
13 HE2 PHE 2 HE2 PHE 2 10.873 -1.163 -4.748
14 HZ PHE 2 HZ PHE 2 10.997 -0.517 -2.375
15 H ARG 3 HN ARG 3 5.567 -1.746 -7.687
16 HA ARG 3 HA ARG 3 2.697 -2.322 -7.531
17 HB2 ARG 3 HB2 ARG 3 4.225 -1.129 -9.829
18 HB3 ARG 3 HB1 ARG 3 2.596 -1.776 -9.973
19 HG2 ARG 3 HG2 ARG 3 1.747 -0.149 -8.433
20 HG3 ARG 3 HG1 ARG 3 3.376 0.432 -8.087
21 HD2 ARG 3 HD2 ARG 3 2.040 0.526 -10.774
22 HD3 ARG 3 HD1 ARG 3 2.122 1.878 -9.643
23 HE ARG 3 HE ARG 3 4.715 0.877 -10.148
24 HH11 ARG 3 HH11 ARG 3 2.168 2.728 -11.686
25 HH12 ARG 3 HH12 ARG 3 3.256 3.616 -12.700
26 HH21 ARG 3 HH21 ARG 3 6.157 2.061 -11.500
27 HH22 ARG 3 HH22 ARG 3 5.516 3.229 -12.605
28 H SER 4 HN SER 4 1.960 -4.076 -8.747
29 HA SER 4 HA SER 4 3.832 -6.228 -8.903
30 HB2 SER 4 HB2 SER 4 0.896 -6.178 -9.618
31 HB3 SER 4 HB1 SER 4 1.888 -7.608 -9.340
32 HG SER 4 HG SER 4 2.236 -6.290 -7.190
33 H ALA 5 HN ALA 5 5.079 -5.289 -10.542
34 HA ALA 5 HA ALA 5 3.912 -5.309 -13.208
35 HB1 ALA 5 HB1 ALA 5 5.917 -4.141 -13.940
36 HB2 ALA 5 HB2 ALA 5 6.564 -4.218 -12.300
37 HB3 ALA 5 HB3 ALA 5 5.107 -3.278 -12.630
38 H CYS 6 HN CYS 6 3.848 -7.622 -13.109
39 HA CYS 6 HA CYS 6 6.440 -8.870 -13.492
40 HB2 CYS 6 HB2 CYS 6 5.091 -10.994 -13.793
41 HB3 CYS 6 HB1 CYS 6 5.010 -10.250 -12.206
42 HA PRO 7 HA PRO 7 6.859 -10.973 -14.496
43 HB2 PRO 7 HB2 PRO 7 8.879 -11.148 -16.545
44 HB3 PRO 7 HB1 PRO 7 7.660 -12.347 -16.107
45 HG2 PRO 7 HG2 PRO 7 7.674 -10.972 -18.487
46 HG3 PRO 7 HG1 PRO 7 6.220 -11.664 -17.747
47 HD2 PRO 7 HD2 PRO 7 7.206 -8.830 -17.697
48 HD3 PRO 7 HD1 PRO 7 5.550 -9.445 -17.896
49 HA PRO 8 HA PRO 8 8.005 -11.887 -13.437
50 HB2 PRO 8 HB2 PRO 8 10.069 -12.696 -12.060
51 HB3 PRO 8 HB1 PRO 8 10.259 -12.453 -13.804
52 HG2 PRO 8 HG2 PRO 8 11.282 -10.790 -11.552
53 HG3 PRO 8 HG1 PRO 8 11.938 -10.988 -13.188
54 HD2 PRO 8 HD2 PRO 8 10.148 -8.912 -12.186
55 HD3 PRO 8 HD1 PRO 8 10.925 -9.025 -13.782
56 H PHE 9 HN PHE 9 7.086 -9.456 -11.979
57 HA PHE 9 HA PHE 9 7.123 -10.566 -9.267
58 HB2 PHE 9 HB2 PHE 9 7.794 -7.696 -9.922
59 HB3 PHE 9 HB1 PHE 9 7.394 -8.260 -8.307
60 HD1 PHE 9 HD1 PHE 9 8.841 -10.356 -7.530
61 HD2 PHE 9 HD2 PHE 9 10.004 -7.526 -10.485
62 HE1 PHE 9 HE1 PHE 9 11.197 -10.936 -7.152
63 HE2 PHE 9 HE2 PHE 9 12.366 -8.104 -10.114
64 HZ PHE 9 HZ PHE 9 12.964 -9.814 -8.445
65 H CYS 10 HN CYS 10 4.998 -11.167 -9.250
66 HA CYS 10 HA CYS 10 3.205 -9.094 -8.522
67 HB2 CYS 10 HB2 CYS 10 1.398 -9.583 -10.139
68 HB3 CYS 10 HB1 CYS 10 2.812 -8.875 -10.900
69 HN1 NH2 11 H1 CYS 10 2.993 -10.084 -6.617
70 HN2 NH2 11 H2 CYS 10 2.241 -11.624 -6.400
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 4.034 3.584 -2.939
2 H2 GLY 1 HT2 GLY 1 4.860 2.798 -1.696
3 H3 GLY 1 HT3 GLY 1 3.340 3.480 -1.401
4 HA2 GLY 1 HA1 GLY 1 3.172 1.096 -1.600
5 HA3 GLY 1 HA2 GLY 1 2.297 1.922 -2.882
6 H PHE 2 HN PHE 2 3.407 -0.784 -2.800
7 HA PHE 2 HA PHE 2 5.509 -0.643 -4.830
8 HB2 PHE 2 HB2 PHE 2 4.448 -2.940 -3.188
9 HB3 PHE 2 HB1 PHE 2 5.639 -3.128 -4.470
10 HD1 PHE 2 HD1 PHE 2 5.026 -1.875 -1.093
11 HD2 PHE 2 HD2 PHE 2 7.896 -2.351 -4.194
12 HE1 PHE 2 HE1 PHE 2 6.827 -1.367 0.499
13 HE2 PHE 2 HE2 PHE 2 9.698 -1.846 -2.610
14 HZ PHE 2 HZ PHE 2 9.169 -1.351 -0.256
15 H ARG 3 HN ARG 3 5.288 -1.690 -6.818
16 HA ARG 3 HA ARG 3 2.504 -2.222 -7.580
17 HB2 ARG 3 HB2 ARG 3 4.738 -0.911 -9.078
18 HB3 ARG 3 HB1 ARG 3 3.382 -1.637 -9.930
19 HG2 ARG 3 HG2 ARG 3 1.833 -0.165 -8.866
20 HG3 ARG 3 HG1 ARG 3 3.086 0.455 -7.790
21 HD2 ARG 3 HD2 ARG 3 3.188 0.699 -10.782
22 HD3 ARG 3 HD1 ARG 3 2.497 1.934 -9.728
23 HE ARG 3 HE ARG 3 5.031 1.385 -8.761
24 HH11 ARG 3 HH11 ARG 3 3.662 2.671 -11.722
25 HH12 ARG 3 HH12 ARG 3 5.017 3.684 -12.056
26 HH21 ARG 3 HH21 ARG 3 6.811 2.722 -9.190
27 HH22 ARG 3 HH22 ARG 3 6.826 3.714 -10.608
28 H SER 4 HN SER 4 2.071 -3.926 -8.950
29 HA SER 4 HA SER 4 4.121 -5.994 -8.953
30 HB2 SER 4 HB2 SER 4 1.111 -6.190 -9.096
31 HB3 SER 4 HB1 SER 4 2.205 -7.564 -9.223
32 HG SER 4 HG SER 4 1.654 -5.913 -7.012
33 H ALA 5 HN ALA 5 5.054 -5.046 -10.796
34 HA ALA 5 HA ALA 5 3.549 -5.376 -13.274
35 HB1 ALA 5 HB1 ALA 5 4.581 -3.185 -12.988
36 HB2 ALA 5 HB2 ALA 5 5.300 -4.059 -14.345
37 HB3 ALA 5 HB3 ALA 5 6.162 -3.947 -12.812
38 H CYS 6 HN CYS 6 3.746 -7.652 -13.053
39 HA CYS 6 HA CYS 6 6.366 -8.788 -13.447
40 HB2 CYS 6 HB2 CYS 6 5.066 -10.955 -13.740
41 HB3 CYS 6 HB1 CYS 6 4.925 -10.171 -12.176
42 HA PRO 7 HA PRO 7 6.826 -10.936 -14.382
43 HB2 PRO 7 HB2 PRO 7 8.849 -11.245 -16.413
44 HB3 PRO 7 HB1 PRO 7 7.602 -12.397 -15.934
45 HG2 PRO 7 HG2 PRO 7 7.663 -11.124 -18.368
46 HG3 PRO 7 HG1 PRO 7 6.191 -11.759 -17.616
47 HD2 PRO 7 HD2 PRO 7 7.228 -8.944 -17.673
48 HD3 PRO 7 HD1 PRO 7 5.564 -9.536 -17.866
49 HA PRO 8 HA PRO 8 8.090 -11.900 -13.443
50 HB2 PRO 8 HB2 PRO 8 10.187 -12.656 -12.062
51 HB3 PRO 8 HB1 PRO 8 10.338 -12.441 -13.813
52 HG2 PRO 8 HG2 PRO 8 11.395 -10.741 -11.616
53 HG3 PRO 8 HG1 PRO 8 11.993 -10.934 -13.274
54 HD2 PRO 8 HD2 PRO 8 10.200 -8.892 -12.210
55 HD3 PRO 8 HD1 PRO 8 10.931 -8.987 -13.828
56 H PHE 9 HN PHE 9 7.113 -9.508 -11.985
57 HA PHE 9 HA PHE 9 7.127 -10.623 -9.278
58 HB2 PHE 9 HB2 PHE 9 7.795 -7.733 -9.874
59 HB3 PHE 9 HB1 PHE 9 7.444 -8.362 -8.272
60 HD1 PHE 9 HD1 PHE 9 8.958 -10.437 -7.583
61 HD2 PHE 9 HD2 PHE 9 9.981 -7.521 -10.502
62 HE1 PHE 9 HE1 PHE 9 11.335 -10.977 -7.283
63 HE2 PHE 9 HE2 PHE 9 12.361 -8.059 -10.211
64 HZ PHE 9 HZ PHE 9 13.042 -9.790 -8.601
65 H CYS 10 HN CYS 10 4.980 -11.183 -9.299
66 HA CYS 10 HA CYS 10 3.249 -9.070 -8.542
67 HB2 CYS 10 HB2 CYS 10 1.429 -9.427 -10.159
68 HB3 CYS 10 HB1 CYS 10 2.882 -8.830 -10.939
69 HN1 NH2 11 H1 CYS 10 2.803 -9.959 -6.682
70 HN2 NH2 11 H2 CYS 10 2.093 -11.519 -6.458
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 -0.230 2.004 -0.825
2 H2 GLY 1 HT2 GLY 1 1.360 1.506 -1.114
3 H3 GLY 1 HT3 GLY 1 0.321 0.520 -0.222
4 HA2 GLY 1 HA1 GLY 1 -1.064 0.184 -2.154
5 HA3 GLY 1 HA2 GLY 1 0.006 1.227 -3.079
6 H PHE 2 HN PHE 2 -0.685 -1.567 -3.534
7 HA PHE 2 HA PHE 2 1.761 -2.999 -2.892
8 HB2 PHE 2 HB2 PHE 2 -0.762 -3.844 -4.308
9 HB3 PHE 2 HB1 PHE 2 0.633 -4.893 -4.102
10 HD1 PHE 2 HD1 PHE 2 -2.216 -3.326 -2.468
11 HD2 PHE 2 HD2 PHE 2 1.248 -5.723 -1.908
12 HE1 PHE 2 HE1 PHE 2 -3.051 -4.011 -0.260
13 HE2 PHE 2 HE2 PHE 2 0.423 -6.411 0.296
14 HZ PHE 2 HZ PHE 2 -1.732 -5.557 1.126
15 H ARG 3 HN ARG 3 3.183 -3.795 -4.414
16 HA ARG 3 HA ARG 3 3.033 -2.497 -7.042
17 HB2 ARG 3 HB2 ARG 3 5.434 -3.274 -5.397
18 HB3 ARG 3 HB1 ARG 3 5.526 -2.739 -7.069
19 HG2 ARG 3 HG2 ARG 3 4.450 -0.625 -6.402
20 HG3 ARG 3 HG1 ARG 3 4.524 -1.157 -4.720
21 HD2 ARG 3 HD2 ARG 3 6.886 -0.806 -6.556
22 HD3 ARG 3 HD1 ARG 3 6.385 0.340 -5.315
23 HE ARG 3 HE ARG 3 6.723 -2.023 -3.986
24 HH11 ARG 3 HH11 ARG 3 8.756 -0.022 -6.031
25 HH12 ARG 3 HH12 ARG 3 10.228 -0.471 -5.242
26 HH21 ARG 3 HH21 ARG 3 8.683 -2.618 -2.921
27 HH22 ARG 3 HH22 ARG 3 10.183 -1.948 -3.464
28 H SER 4 HN SER 4 2.866 -3.766 -8.731
29 HA SER 4 HA SER 4 3.973 -6.408 -8.763
30 HB2 SER 4 HB2 SER 4 0.976 -6.031 -8.824
31 HB3 SER 4 HB1 SER 4 1.808 -7.515 -9.288
32 HG SER 4 HG SER 4 2.746 -6.805 -6.916
33 H ALA 5 HN ALA 5 5.068 -5.889 -10.542
34 HA ALA 5 HA ALA 5 3.459 -5.593 -12.967
35 HB1 ALA 5 HB1 ALA 5 6.052 -4.154 -12.410
36 HB2 ALA 5 HB2 ALA 5 4.453 -3.413 -12.521
37 HB3 ALA 5 HB3 ALA 5 5.187 -4.155 -13.946
38 H CYS 6 HN CYS 6 3.693 -7.912 -12.997
39 HA CYS 6 HA CYS 6 6.353 -8.926 -13.460
40 HB2 CYS 6 HB2 CYS 6 5.094 -11.107 -13.951
41 HB3 CYS 6 HB1 CYS 6 5.024 -10.484 -12.310
42 HA PRO 7 HA PRO 7 6.911 -10.938 -14.522
43 HB2 PRO 7 HB2 PRO 7 8.951 -11.410 -16.195
44 HB3 PRO 7 HB1 PRO 7 7.342 -12.086 -16.478
45 HG2 PRO 7 HG2 PRO 7 8.656 -9.726 -17.754
46 HG3 PRO 7 HG1 PRO 7 7.628 -10.969 -18.488
47 HD2 PRO 7 HD2 PRO 7 6.769 -8.443 -17.721
48 HD3 PRO 7 HD1 PRO 7 5.710 -9.849 -17.944
49 HA PRO 8 HA PRO 8 8.120 -11.851 -13.518
50 HB2 PRO 8 HB2 PRO 8 10.236 -12.620 -12.192
51 HB3 PRO 8 HB1 PRO 8 10.384 -12.299 -13.927
52 HG2 PRO 8 HG2 PRO 8 11.390 -10.700 -11.629
53 HG3 PRO 8 HG1 PRO 8 11.997 -10.776 -13.295
54 HD2 PRO 8 HD2 PRO 8 10.126 -8.868 -12.114
55 HD3 PRO 8 HD1 PRO 8 10.883 -8.828 -13.723
56 H PHE 9 HN PHE 9 7.120 -9.537 -11.939
57 HA PHE 9 HA PHE 9 7.057 -10.808 -9.310
58 HB2 PHE 9 HB2 PHE 9 7.880 -7.919 -9.686
59 HB3 PHE 9 HB1 PHE 9 7.463 -8.643 -8.142
60 HD1 PHE 9 HD1 PHE 9 8.857 -10.833 -7.579
61 HD2 PHE 9 HD2 PHE 9 10.085 -7.764 -10.251
62 HE1 PHE 9 HE1 PHE 9 11.198 -11.509 -7.278
63 HE2 PHE 9 HE2 PHE 9 12.426 -8.438 -9.958
64 HZ PHE 9 HZ PHE 9 12.984 -10.315 -8.469
65 H CYS 10 HN CYS 10 4.912 -11.172 -9.163
66 HA CYS 10 HA CYS 10 3.252 -8.916 -8.650
67 HB2 CYS 10 HB2 CYS 10 1.459 -9.439 -10.285
68 HB3 CYS 10 HB1 CYS 10 2.942 -8.887 -11.047
69 HN1 NH2 11 H1 CYS 10 2.954 -9.753 -6.670
70 HN2 NH2 11 H2 CYS 10 2.078 -11.211 -6.356
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 3.711 1.524 -1.157
2 H2 GLY 1 HT2 GLY 1 2.954 0.244 -0.360
3 H3 GLY 1 HT3 GLY 1 2.231 1.770 -0.381
4 HA2 GLY 1 HA1 GLY 1 1.133 0.296 -1.931
5 HA3 GLY 1 HA2 GLY 1 1.908 1.644 -2.750
6 H PHE 2 HN PHE 2 1.356 -1.528 -3.017
7 HA PHE 2 HA PHE 2 3.965 -2.103 -4.243
8 HB2 PHE 2 HB2 PHE 2 1.794 -4.028 -3.413
9 HB3 PHE 2 HB1 PHE 2 3.350 -4.467 -4.101
10 HD1 PHE 2 HD1 PHE 2 1.543 -3.801 -1.122
11 HD2 PHE 2 HD2 PHE 2 5.437 -3.794 -2.813
12 HE1 PHE 2 HE1 PHE 2 2.515 -3.870 1.132
13 HE2 PHE 2 HE2 PHE 2 6.419 -3.862 -0.568
14 HZ PHE 2 HZ PHE 2 4.959 -3.900 1.414
15 H ARG 3 HN ARG 3 4.087 -2.657 -6.346
16 HA ARG 3 HA ARG 3 1.586 -2.522 -7.881
17 HB2 ARG 3 HB2 ARG 3 4.371 -1.688 -8.668
18 HB3 ARG 3 HB1 ARG 3 3.037 -1.821 -9.802
19 HG2 ARG 3 HG2 ARG 3 1.798 -0.134 -8.527
20 HG3 ARG 3 HG1 ARG 3 3.169 0.020 -7.426
21 HD2 ARG 3 HD2 ARG 3 3.308 0.480 -10.392
22 HD3 ARG 3 HD1 ARG 3 3.073 1.763 -9.208
23 HE ARG 3 HE ARG 3 5.306 0.675 -8.291
24 HH11 ARG 3 HH11 ARG 3 4.415 1.427 -11.606
25 HH12 ARG 3 HH12 ARG 3 6.037 1.752 -12.106
26 HH21 ARG 3 HH21 ARG 3 7.465 1.120 -8.952
27 HH22 ARG 3 HH22 ARG 3 7.783 1.576 -10.589
28 H SER 4 HN SER 4 1.231 -4.024 -9.463
29 HA SER 4 HA SER 4 2.871 -6.411 -9.244
30 HB2 SER 4 HB2 SER 4 0.086 -6.065 -10.368
31 HB3 SER 4 HB1 SER 4 0.942 -7.593 -10.170
32 HG SER 4 HG SER 4 1.082 -6.597 -7.831
33 H ALA 5 HN ALA 5 4.465 -5.454 -10.576
34 HA ALA 5 HA ALA 5 3.731 -5.351 -13.403
35 HB1 ALA 5 HB1 ALA 5 5.792 -4.128 -13.794
36 HB2 ALA 5 HB2 ALA 5 6.183 -4.219 -12.076
37 HB3 ALA 5 HB3 ALA 5 4.771 -3.303 -12.613
38 H CYS 6 HN CYS 6 3.684 -7.642 -13.354
39 HA CYS 6 HA CYS 6 6.336 -8.829 -13.486
40 HB2 CYS 6 HB2 CYS 6 4.936 -10.960 -13.952
41 HB3 CYS 6 HB1 CYS 6 4.979 -10.308 -12.322
42 HA PRO 7 HA PRO 7 6.828 -10.901 -14.433
43 HB2 PRO 7 HB2 PRO 7 8.830 -11.604 -16.061
44 HB3 PRO 7 HB1 PRO 7 7.181 -12.188 -16.316
45 HG2 PRO 7 HG2 PRO 7 8.668 -10.033 -17.741
46 HG3 PRO 7 HG1 PRO 7 7.513 -11.213 -18.383
47 HD2 PRO 7 HD2 PRO 7 6.932 -8.553 -17.714
48 HD3 PRO 7 HD1 PRO 7 5.738 -9.846 -17.945
49 HA PRO 8 HA PRO 8 8.049 -11.884 -13.469
50 HB2 PRO 8 HB2 PRO 8 10.119 -12.736 -12.147
51 HB3 PRO 8 HB1 PRO 8 10.318 -12.391 -13.873
52 HG2 PRO 8 HG2 PRO 8 11.250 -10.809 -11.514
53 HG3 PRO 8 HG1 PRO 8 11.995 -10.973 -13.120
54 HD2 PRO 8 HD2 PRO 8 10.195 -8.903 -12.178
55 HD3 PRO 8 HD1 PRO 8 10.967 -9.041 -13.773
56 H PHE 9 HN PHE 9 7.094 -9.511 -11.961
57 HA PHE 9 HA PHE 9 7.104 -10.675 -9.274
58 HB2 PHE 9 HB2 PHE 9 7.926 -7.831 -9.850
59 HB3 PHE 9 HB1 PHE 9 7.440 -8.389 -8.256
60 HD1 PHE 9 HD1 PHE 9 8.752 -10.509 -7.404
61 HD2 PHE 9 HD2 PHE 9 10.148 -7.826 -10.388
62 HE1 PHE 9 HE1 PHE 9 11.061 -11.211 -6.945
63 HE2 PHE 9 HE2 PHE 9 12.461 -8.526 -9.938
64 HZ PHE 9 HZ PHE 9 12.921 -10.220 -8.216
65 H CYS 10 HN CYS 10 4.967 -11.176 -9.248
66 HA CYS 10 HA CYS 10 3.244 -9.050 -8.482
67 HB2 CYS 10 HB2 CYS 10 1.416 -9.489 -10.093
68 HB3 CYS 10 HB1 CYS 10 2.842 -8.803 -10.856
69 HN1 NH2 11 H1 CYS 10 3.044 -10.092 -6.586
70 HN2 NH2 11 H2 CYS 10 2.245 -11.611 -6.397
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 11.443 2.050 -4.801
2 H2 GLY 1 HT2 GLY 1 12.076 0.725 -3.971
3 H3 GLY 1 HT3 GLY 1 11.478 2.051 -3.110
4 HA2 GLY 1 HA1 GLY 1 9.927 0.200 -3.062
5 HA3 GLY 1 HA2 GLY 1 9.256 1.609 -3.874
6 H PHE 2 HN PHE 2 8.792 -1.385 -4.123
7 HA PHE 2 HA PHE 2 9.255 -1.533 -7.022
8 HB2 PHE 2 HB2 PHE 2 9.150 -3.792 -5.035
9 HB3 PHE 2 HB1 PHE 2 9.221 -4.003 -6.776
10 HD1 PHE 2 HD1 PHE 2 11.104 -3.368 -3.776
11 HD2 PHE 2 HD2 PHE 2 11.221 -3.204 -8.021
12 HE1 PHE 2 HE1 PHE 2 13.559 -3.253 -3.699
13 HE2 PHE 2 HE2 PHE 2 13.672 -3.091 -7.956
14 HZ PHE 2 HZ PHE 2 14.848 -3.116 -5.792
15 H ARG 3 HN ARG 3 7.623 -2.044 -8.307
16 HA ARG 3 HA ARG 3 4.978 -2.343 -7.078
17 HB2 ARG 3 HB2 ARG 3 5.798 -1.067 -9.683
18 HB3 ARG 3 HB1 ARG 3 4.131 -1.482 -9.322
19 HG2 ARG 3 HG2 ARG 3 4.335 -0.050 -7.262
20 HG3 ARG 3 HG1 ARG 3 5.885 0.501 -7.900
21 HD2 ARG 3 HD2 ARG 3 3.252 0.717 -9.349
22 HD3 ARG 3 HD1 ARG 3 3.988 2.020 -8.420
23 HE ARG 3 HE ARG 3 5.917 1.292 -10.202
24 HH11 ARG 3 HH11 ARG 3 2.561 2.274 -10.515
25 HH12 ARG 3 HH12 ARG 3 2.802 3.055 -12.042
26 HH21 ARG 3 HH21 ARG 3 6.226 2.309 -12.237
27 HH22 ARG 3 HH22 ARG 3 4.884 3.059 -13.027
28 H SER 4 HN SER 4 3.458 -3.734 -8.156
29 HA SER 4 HA SER 4 4.739 -6.164 -8.934
30 HB2 SER 4 HB2 SER 4 1.797 -5.548 -8.734
31 HB3 SER 4 HB1 SER 4 2.541 -7.144 -8.834
32 HG SER 4 HG SER 4 3.674 -5.790 -6.822
33 H ALA 5 HN ALA 5 5.619 -5.324 -10.823
34 HA ALA 5 HA ALA 5 3.751 -5.398 -13.083
35 HB1 ALA 5 HB1 ALA 5 5.406 -4.109 -14.361
36 HB2 ALA 5 HB2 ALA 5 6.423 -4.006 -12.923
37 HB3 ALA 5 HB3 ALA 5 4.840 -3.231 -12.941
38 H CYS 6 HN CYS 6 3.916 -7.679 -12.912
39 HA CYS 6 HA CYS 6 6.439 -8.905 -13.503
40 HB2 CYS 6 HB2 CYS 6 5.028 -10.997 -13.816
41 HB3 CYS 6 HB1 CYS 6 4.991 -10.259 -12.221
42 HA PRO 7 HA PRO 7 6.868 -10.982 -14.509
43 HB2 PRO 7 HB2 PRO 7 8.920 -11.087 -16.547
44 HB3 PRO 7 HB1 PRO 7 7.754 -12.332 -16.097
45 HG2 PRO 7 HG2 PRO 7 7.707 -10.992 -18.488
46 HG3 PRO 7 HG1 PRO 7 6.279 -11.721 -17.734
47 HD2 PRO 7 HD2 PRO 7 7.166 -8.860 -17.745
48 HD3 PRO 7 HD1 PRO 7 5.532 -9.534 -17.914
49 HA PRO 8 HA PRO 8 8.046 -11.873 -13.458
50 HB2 PRO 8 HB2 PRO 8 10.154 -12.628 -12.083
51 HB3 PRO 8 HB1 PRO 8 10.287 -12.426 -13.836
52 HG2 PRO 8 HG2 PRO 8 11.414 -10.740 -11.674
53 HG3 PRO 8 HG1 PRO 8 11.932 -10.888 -13.361
54 HD2 PRO 8 HD2 PRO 8 10.127 -8.911 -12.156
55 HD3 PRO 8 HD1 PRO 8 10.868 -8.905 -13.773
56 H PHE 9 HN PHE 9 7.067 -9.490 -11.966
57 HA PHE 9 HA PHE 9 7.101 -10.637 -9.270
58 HB2 PHE 9 HB2 PHE 9 7.766 -7.737 -9.816
59 HB3 PHE 9 HB1 PHE 9 7.457 -8.411 -8.224
60 HD1 PHE 9 HD1 PHE 9 8.973 -10.532 -7.664
61 HD2 PHE 9 HD2 PHE 9 9.936 -7.490 -10.476
62 HE1 PHE 9 HE1 PHE 9 11.352 -11.096 -7.453
63 HE2 PHE 9 HE2 PHE 9 12.319 -8.052 -10.272
64 HZ PHE 9 HZ PHE 9 13.033 -9.859 -8.759
65 H CYS 10 HN CYS 10 4.952 -11.175 -9.259
66 HA CYS 10 HA CYS 10 3.220 -9.071 -8.479
67 HB2 CYS 10 HB2 CYS 10 1.391 -9.470 -10.101
68 HB3 CYS 10 HB1 CYS 10 2.825 -8.802 -10.862
69 HN1 NH2 11 H1 CYS 10 2.687 -9.962 -6.634
70 HN2 NH2 11 H2 CYS 10 2.055 -11.556 -6.426
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 7.372 4.995 -6.480
2 H2 GLY 1 HT2 GLY 1 7.882 4.661 -4.907
3 H3 GLY 1 HT3 GLY 1 6.750 5.886 -5.187
4 HA2 GLY 1 HA1 GLY 1 5.690 3.905 -4.302
5 HA3 GLY 1 HA2 GLY 1 5.122 4.299 -5.919
6 H PHE 2 HN PHE 2 5.119 1.732 -4.518
7 HA PHE 2 HA PHE 2 6.980 0.206 -6.192
8 HB2 PHE 2 HB2 PHE 2 5.418 -0.651 -3.756
9 HB3 PHE 2 HB1 PHE 2 6.502 -1.683 -4.679
10 HD1 PHE 2 HD1 PHE 2 6.249 0.825 -2.114
11 HD2 PHE 2 HD2 PHE 2 8.924 -1.140 -4.768
12 HE1 PHE 2 HE1 PHE 2 8.149 1.594 -0.760
13 HE2 PHE 2 HE2 PHE 2 10.829 -0.378 -3.423
14 HZ PHE 2 HZ PHE 2 10.443 0.993 -1.414
15 H ARG 3 HN ARG 3 6.258 -1.299 -7.597
16 HA ARG 3 HA ARG 3 3.367 -1.648 -7.877
17 HB2 ARG 3 HB2 ARG 3 5.276 -0.769 -10.027
18 HB3 ARG 3 HB1 ARG 3 3.694 -1.450 -10.373
19 HG2 ARG 3 HG2 ARG 3 2.604 0.361 -9.241
20 HG3 ARG 3 HG1 ARG 3 4.155 1.000 -8.690
21 HD2 ARG 3 HD2 ARG 3 3.381 0.685 -11.573
22 HD3 ARG 3 HD1 ARG 3 3.181 2.181 -10.658
23 HE ARG 3 HE ARG 3 5.789 1.607 -10.290
24 HH11 ARG 3 HH11 ARG 3 3.836 1.792 -13.204
25 HH12 ARG 3 HH12 ARG 3 5.149 2.324 -14.195
26 HH21 ARG 3 HH21 ARG 3 7.509 2.320 -11.589
27 HH22 ARG 3 HH22 ARG 3 7.254 2.618 -13.276
28 H SER 4 HN SER 4 2.748 -3.548 -8.935
29 HA SER 4 HA SER 4 4.816 -5.603 -8.966
30 HB2 SER 4 HB2 SER 4 1.816 -5.911 -8.833
31 HB3 SER 4 HB1 SER 4 3.010 -7.198 -8.689
32 HG SER 4 HG SER 4 3.522 -6.542 -6.708
33 H ALA 5 HN ALA 5 5.495 -4.886 -10.994
34 HA ALA 5 HA ALA 5 3.665 -5.359 -13.207
35 HB1 ALA 5 HB1 ALA 5 6.302 -3.898 -13.188
36 HB2 ALA 5 HB2 ALA 5 4.703 -3.153 -13.190
37 HB3 ALA 5 HB3 ALA 5 5.242 -4.095 -14.582
38 H CYS 6 HN CYS 6 3.887 -7.611 -12.927
39 HA CYS 6 HA CYS 6 6.425 -8.822 -13.499
40 HB2 CYS 6 HB2 CYS 6 5.100 -10.952 -13.679
41 HB3 CYS 6 HB1 CYS 6 4.951 -10.116 -12.143
42 HA PRO 7 HA PRO 7 6.854 -10.983 -14.448
43 HB2 PRO 7 HB2 PRO 7 8.872 -11.549 -16.127
44 HB3 PRO 7 HB1 PRO 7 7.258 -12.231 -16.351
45 HG2 PRO 7 HG2 PRO 7 8.543 -9.915 -17.741
46 HG3 PRO 7 HG1 PRO 7 7.549 -11.217 -18.418
47 HD2 PRO 7 HD2 PRO 7 6.595 -8.712 -17.832
48 HD3 PRO 7 HD1 PRO 7 5.586 -10.170 -17.859
49 HA PRO 8 HA PRO 8 8.082 -11.889 -13.436
50 HB2 PRO 8 HB2 PRO 8 10.192 -12.630 -12.078
51 HB3 PRO 8 HB1 PRO 8 10.345 -12.391 -13.825
52 HG2 PRO 8 HG2 PRO 8 11.360 -10.694 -11.600
53 HG3 PRO 8 HG1 PRO 8 11.985 -10.867 -13.251
54 HD2 PRO 8 HD2 PRO 8 10.153 -8.855 -12.200
55 HD3 PRO 8 HD1 PRO 8 10.896 -8.937 -13.814
56 H PHE 9 HN PHE 9 7.080 -9.518 -11.969
57 HA PHE 9 HA PHE 9 7.118 -10.636 -9.264
58 HB2 PHE 9 HB2 PHE 9 7.763 -7.744 -9.855
59 HB3 PHE 9 HB1 PHE 9 7.413 -8.376 -8.256
60 HD1 PHE 9 HD1 PHE 9 8.956 -10.386 -7.518
61 HD2 PHE 9 HD2 PHE 9 9.939 -7.541 -10.521
62 HE1 PHE 9 HE1 PHE 9 11.343 -10.880 -7.201
63 HE2 PHE 9 HE2 PHE 9 12.328 -8.034 -10.214
64 HZ PHE 9 HZ PHE 9 13.034 -9.707 -8.551
65 H CYS 10 HN CYS 10 4.969 -11.192 -9.277
66 HA CYS 10 HA CYS 10 3.239 -9.076 -8.523
67 HB2 CYS 10 HB2 CYS 10 1.416 -9.451 -10.140
68 HB3 CYS 10 HB1 CYS 10 2.863 -8.822 -10.908
69 HN1 NH2 11 H1 CYS 10 2.744 -9.943 -6.671
70 HN2 NH2 11 H2 CYS 10 2.055 -11.510 -6.444
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 2.908 1.668 -0.981
2 H2 GLY 1 HT2 GLY 1 3.591 0.539 0.068
3 H3 GLY 1 HT3 GLY 1 2.021 1.090 0.334
4 HA2 GLY 1 HA1 GLY 1 1.971 -1.110 -0.601
5 HA3 GLY 1 HA2 GLY 1 1.287 0.069 -1.714
6 H PHE 2 HN PHE 2 2.626 -2.587 -2.109
7 HA PHE 2 HA PHE 2 4.963 -1.790 -3.668
8 HB2 PHE 2 HB2 PHE 2 3.921 -4.520 -2.910
9 HB3 PHE 2 HB1 PHE 2 5.352 -4.240 -3.895
10 HD1 PHE 2 HD1 PHE 2 4.062 -4.553 -0.589
11 HD2 PHE 2 HD2 PHE 2 7.250 -2.896 -2.866
12 HE1 PHE 2 HE1 PHE 2 5.423 -4.377 1.450
13 HE2 PHE 2 HE2 PHE 2 8.617 -2.719 -0.831
14 HZ PHE 2 HZ PHE 2 7.705 -3.461 1.329
15 H ARG 3 HN ARG 3 5.191 -2.355 -5.850
16 HA ARG 3 HA ARG 3 2.648 -2.348 -7.272
17 HB2 ARG 3 HB2 ARG 3 5.462 -1.816 -8.205
18 HB3 ARG 3 HB1 ARG 3 4.048 -1.782 -9.249
19 HG2 ARG 3 HG2 ARG 3 3.104 0.029 -7.884
20 HG3 ARG 3 HG1 ARG 3 4.559 0.010 -6.886
21 HD2 ARG 3 HD2 ARG 3 4.525 0.503 -9.851
22 HD3 ARG 3 HD1 ARG 3 4.556 1.772 -8.632
23 HE ARG 3 HE ARG 3 6.692 0.454 -7.899
24 HH11 ARG 3 HH11 ARG 3 5.650 1.089 -11.191
25 HH12 ARG 3 HH12 ARG 3 7.253 1.217 -11.815
26 HH21 ARG 3 HH21 ARG 3 8.819 0.608 -8.721
27 HH22 ARG 3 HH22 ARG 3 9.072 0.935 -10.400
28 H SER 4 HN SER 4 2.138 -3.801 -8.886
29 HA SER 4 HA SER 4 3.684 -6.282 -8.859
30 HB2 SER 4 HB2 SER 4 0.734 -5.962 -9.436
31 HB3 SER 4 HB1 SER 4 1.632 -7.472 -9.291
32 HG SER 4 HG SER 4 0.954 -5.603 -7.282
33 H ALA 5 HN ALA 5 4.962 -5.581 -10.535
34 HA ALA 5 HA ALA 5 3.602 -5.500 -13.128
35 HB1 ALA 5 HB1 ALA 5 4.599 -3.343 -12.689
36 HB2 ALA 5 HB2 ALA 5 5.470 -4.165 -13.990
37 HB3 ALA 5 HB3 ALA 5 6.158 -4.105 -12.369
38 H CYS 6 HN CYS 6 3.747 -7.795 -13.043
39 HA CYS 6 HA CYS 6 6.399 -8.885 -13.452
40 HB2 CYS 6 HB2 CYS 6 5.145 -11.066 -13.796
41 HB3 CYS 6 HB1 CYS 6 5.003 -10.343 -12.202
42 HA PRO 7 HA PRO 7 6.914 -10.962 -14.506
43 HB2 PRO 7 HB2 PRO 7 8.948 -11.012 -16.558
44 HB3 PRO 7 HB1 PRO 7 7.797 -12.278 -16.128
45 HG2 PRO 7 HG2 PRO 7 7.720 -10.892 -18.495
46 HG3 PRO 7 HG1 PRO 7 6.305 -11.647 -17.746
47 HD2 PRO 7 HD2 PRO 7 7.172 -8.775 -17.688
48 HD3 PRO 7 HD1 PRO 7 5.542 -9.456 -17.882
49 HA PRO 8 HA PRO 8 8.111 -11.866 -13.505
50 HB2 PRO 8 HB2 PRO 8 10.207 -12.635 -12.148
51 HB3 PRO 8 HB1 PRO 8 10.385 -12.330 -13.882
52 HG2 PRO 8 HG2 PRO 8 11.346 -10.705 -11.580
53 HG3 PRO 8 HG1 PRO 8 12.001 -10.816 -13.226
54 HD2 PRO 8 HD2 PRO 8 10.127 -8.858 -12.140
55 HD3 PRO 8 HD1 PRO 8 10.903 -8.874 -13.739
56 H PHE 9 HN PHE 9 7.111 -9.506 -11.969
57 HA PHE 9 HA PHE 9 7.052 -10.743 -9.321
58 HB2 PHE 9 HB2 PHE 9 7.882 -7.868 -9.758
59 HB3 PHE 9 HB1 PHE 9 7.430 -8.536 -8.197
60 HD1 PHE 9 HD1 PHE 9 8.782 -10.718 -7.533
61 HD2 PHE 9 HD2 PHE 9 10.099 -7.777 -10.301
62 HE1 PHE 9 HE1 PHE 9 11.108 -11.424 -7.165
63 HE2 PHE 9 HE2 PHE 9 12.428 -8.477 -9.944
64 HZ PHE 9 HZ PHE 9 12.937 -10.303 -8.374
65 H CYS 10 HN CYS 10 4.930 -11.163 -9.202
66 HA CYS 10 HA CYS 10 3.221 -8.972 -8.609
67 HB2 CYS 10 HB2 CYS 10 1.412 -9.490 -10.229
68 HB3 CYS 10 HB1 CYS 10 2.863 -8.883 -11.007
69 HN1 NH2 11 H1 CYS 10 2.824 -9.785 -6.673
70 HN2 NH2 11 H2 CYS 10 2.092 -11.320 -6.366
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 3.811 5.662 -5.415
2 H2 GLY 1 HT2 GLY 1 4.730 5.448 -4.013
3 H3 GLY 1 HT3 GLY 1 3.116 5.946 -3.900
4 HA2 GLY 1 HA1 GLY 1 3.361 3.608 -3.335
5 HA3 GLY 1 HA2 GLY 1 2.351 3.852 -4.754
6 H PHE 2 HN PHE 2 3.883 1.490 -3.969
7 HA PHE 2 HA PHE 2 6.055 1.426 -5.896
8 HB2 PHE 2 HB2 PHE 2 5.072 -0.654 -3.944
9 HB3 PHE 2 HB1 PHE 2 6.453 -0.864 -5.014
10 HD1 PHE 2 HD1 PHE 2 5.255 0.589 -1.930
11 HD2 PHE 2 HD2 PHE 2 8.459 0.554 -4.726
12 HE1 PHE 2 HE1 PHE 2 6.715 1.658 -0.264
13 HE2 PHE 2 HE2 PHE 2 9.925 1.619 -3.070
14 HZ PHE 2 HZ PHE 2 9.056 2.174 -0.833
15 H ARG 3 HN ARG 3 6.121 0.125 -7.674
16 HA ARG 3 HA ARG 3 3.633 -1.201 -8.482
17 HB2 ARG 3 HB2 ARG 3 5.186 0.855 -10.027
18 HB3 ARG 3 HB1 ARG 3 4.073 -0.266 -10.802
19 HG2 ARG 3 HG2 ARG 3 2.216 0.636 -9.673
20 HG3 ARG 3 HG1 ARG 3 3.242 1.525 -8.544
21 HD2 ARG 3 HD2 ARG 3 3.146 2.009 -11.504
22 HD3 ARG 3 HD1 ARG 3 2.214 2.926 -10.317
23 HE ARG 3 HE ARG 3 4.981 2.906 -9.665
24 HH11 ARG 3 HH11 ARG 3 2.692 4.392 -11.854
25 HH12 ARG 3 HH12 ARG 3 3.590 5.862 -12.002
26 HH21 ARG 3 HH21 ARG 3 6.184 4.823 -9.874
27 HH22 ARG 3 HH22 ARG 3 5.591 6.113 -10.865
28 H SER 4 HN SER 4 3.925 -2.874 -10.040
29 HA SER 4 HA SER 4 6.624 -3.611 -10.696
30 HB2 SER 4 HB2 SER 4 6.156 -5.974 -9.805
31 HB3 SER 4 HB1 SER 4 6.604 -4.729 -8.632
32 HG SER 4 HG SER 4 4.077 -5.869 -9.163
33 H ALA 5 HN ALA 5 6.144 -3.475 -12.788
34 HA ALA 5 HA ALA 5 3.928 -4.819 -13.969
35 HB1 ALA 5 HB1 ALA 5 6.337 -3.511 -15.237
36 HB2 ALA 5 HB2 ALA 5 4.760 -2.759 -14.985
37 HB3 ALA 5 HB3 ALA 5 4.926 -4.116 -16.102
38 H CYS 6 HN CYS 6 4.208 -6.828 -13.339
39 HA CYS 6 HA CYS 6 6.601 -8.327 -13.790
40 HB2 CYS 6 HB2 CYS 6 5.395 -10.215 -12.951
41 HB3 CYS 6 HB1 CYS 6 4.905 -8.821 -12.006
42 HA PRO 7 HA PRO 7 6.596 -11.003 -14.136
43 HB2 PRO 7 HB2 PRO 7 8.502 -11.536 -16.313
44 HB3 PRO 7 HB1 PRO 7 7.519 -12.671 -15.386
45 HG2 PRO 7 HG2 PRO 7 6.990 -12.118 -17.964
46 HG3 PRO 7 HG1 PRO 7 5.701 -12.453 -16.796
47 HD2 PRO 7 HD2 PRO 7 6.651 -9.822 -17.866
48 HD3 PRO 7 HD1 PRO 7 4.994 -10.389 -17.583
49 HA PRO 8 HA PRO 8 7.979 -11.952 -13.196
50 HB2 PRO 8 HB2 PRO 8 10.158 -12.581 -11.876
51 HB3 PRO 8 HB1 PRO 8 10.201 -12.527 -13.643
52 HG2 PRO 8 HG2 PRO 8 11.385 -10.638 -11.678
53 HG3 PRO 8 HG1 PRO 8 11.876 -10.969 -13.350
54 HD2 PRO 8 HD2 PRO 8 10.132 -8.850 -12.345
55 HD3 PRO 8 HD1 PRO 8 10.771 -9.072 -13.989
56 H PHE 9 HN PHE 9 7.079 -9.451 -11.865
57 HA PHE 9 HA PHE 9 7.294 -10.402 -9.098
58 HB2 PHE 9 HB2 PHE 9 7.681 -7.516 -9.918
59 HB3 PHE 9 HB1 PHE 9 7.492 -8.065 -8.260
60 HD1 PHE 9 HD1 PHE 9 9.193 -10.009 -7.592
61 HD2 PHE 9 HD2 PHE 9 9.807 -7.155 -10.684
62 HE1 PHE 9 HE1 PHE 9 11.621 -10.361 -7.429
63 HE2 PHE 9 HE2 PHE 9 12.232 -7.504 -10.531
64 HZ PHE 9 HZ PHE 9 13.146 -9.109 -8.902
65 H CYS 10 HN CYS 10 5.156 -11.252 -9.448
66 HA CYS 10 HA CYS 10 3.226 -9.459 -8.384
67 HB2 CYS 10 HB2 CYS 10 1.492 -9.672 -10.121
68 HB3 CYS 10 HB1 CYS 10 2.904 -8.807 -10.702
69 HN1 NH2 11 H1 CYS 10 2.616 -10.671 -6.777
70 HN2 NH2 11 H2 CYS 10 2.118 -12.322 -6.880
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 4.093 2.454 -0.983
2 H2 GLY 1 HT2 GLY 1 3.825 0.946 -0.271
3 H3 GLY 1 HT3 GLY 1 2.683 2.180 -0.096
4 HA2 GLY 1 HA1 GLY 1 1.969 0.533 -1.716
5 HA3 GLY 1 HA2 GLY 1 2.164 2.136 -2.412
6 H PHE 2 HN PHE 2 3.211 -1.131 -2.447
7 HA PHE 2 HA PHE 2 5.452 -0.520 -4.199
8 HB2 PHE 2 HB2 PHE 2 4.502 -3.090 -2.953
9 HB3 PHE 2 HB1 PHE 2 5.812 -3.016 -4.124
10 HD1 PHE 2 HD1 PHE 2 4.776 -2.202 -0.721
11 HD2 PHE 2 HD2 PHE 2 7.942 -2.062 -3.551
12 HE1 PHE 2 HE1 PHE 2 6.358 -1.688 1.084
13 HE2 PHE 2 HE2 PHE 2 9.534 -1.551 -1.754
14 HZ PHE 2 HZ PHE 2 8.744 -1.364 0.570
15 H ARG 3 HN ARG 3 5.622 -1.298 -6.272
16 HA ARG 3 HA ARG 3 3.047 -1.773 -7.567
17 HB2 ARG 3 HB2 ARG 3 5.662 -0.714 -8.596
18 HB3 ARG 3 HB1 ARG 3 4.331 -1.160 -9.656
19 HG2 ARG 3 HG2 ARG 3 2.917 0.504 -8.714
20 HG3 ARG 3 HG1 ARG 3 4.075 0.840 -7.430
21 HD2 ARG 3 HD2 ARG 3 4.615 1.241 -10.355
22 HD3 ARG 3 HD1 ARG 3 4.057 2.513 -9.269
23 HE ARG 3 HE ARG 3 6.402 1.233 -8.280
24 HH11 ARG 3 HH11 ARG 3 5.298 3.645 -10.581
25 HH12 ARG 3 HH12 ARG 3 6.806 4.493 -10.598
26 HH21 ARG 3 HH21 ARG 3 8.397 2.379 -8.301
27 HH22 ARG 3 HH22 ARG 3 8.563 3.779 -9.304
28 H SER 4 HN SER 4 2.808 -3.429 -9.091
29 HA SER 4 HA SER 4 4.878 -5.484 -9.033
30 HB2 SER 4 HB2 SER 4 1.907 -5.972 -8.743
31 HB3 SER 4 HB1 SER 4 3.163 -7.205 -8.817
32 HG SER 4 HG SER 4 3.773 -6.752 -6.818
33 H ALA 5 HN ALA 5 5.527 -4.974 -11.031
34 HA ALA 5 HA ALA 5 3.603 -5.345 -13.208
35 HB1 ALA 5 HB1 ALA 5 4.604 -3.118 -13.215
36 HB2 ALA 5 HB2 ALA 5 5.120 -4.054 -14.621
37 HB3 ALA 5 HB3 ALA 5 6.215 -3.837 -13.257
38 H CYS 6 HN CYS 6 3.866 -7.591 -12.975
39 HA CYS 6 HA CYS 6 6.429 -8.757 -13.507
40 HB2 CYS 6 HB2 CYS 6 5.114 -10.901 -13.697
41 HB3 CYS 6 HB1 CYS 6 4.992 -10.069 -12.154
42 HA PRO 7 HA PRO 7 6.828 -10.961 -14.413
43 HB2 PRO 7 HB2 PRO 7 8.810 -11.648 -16.071
44 HB3 PRO 7 HB1 PRO 7 7.165 -12.256 -16.297
45 HG2 PRO 7 HG2 PRO 7 8.554 -10.003 -17.699
46 HG3 PRO 7 HG1 PRO 7 7.541 -11.288 -18.383
47 HD2 PRO 7 HD2 PRO 7 6.630 -8.758 -17.845
48 HD3 PRO 7 HD1 PRO 7 5.591 -10.196 -17.849
49 HA PRO 8 HA PRO 8 8.059 -11.902 -13.423
50 HB2 PRO 8 HB2 PRO 8 10.153 -12.671 -12.063
51 HB3 PRO 8 HB1 PRO 8 10.322 -12.417 -13.808
52 HG2 PRO 8 HG2 PRO 8 11.319 -10.739 -11.558
53 HG3 PRO 8 HG1 PRO 8 11.977 -10.926 -13.193
54 HD2 PRO 8 HD2 PRO 8 10.159 -8.880 -12.195
55 HD3 PRO 8 HD1 PRO 8 10.918 -8.993 -13.800
56 H PHE 9 HN PHE 9 7.094 -9.503 -11.980
57 HA PHE 9 HA PHE 9 7.131 -10.574 -9.254
58 HB2 PHE 9 HB2 PHE 9 7.752 -7.698 -9.936
59 HB3 PHE 9 HB1 PHE 9 7.376 -8.265 -8.317
60 HD1 PHE 9 HD1 PHE 9 8.892 -10.329 -7.550
61 HD2 PHE 9 HD2 PHE 9 9.948 -7.452 -10.499
62 HE1 PHE 9 HE1 PHE 9 11.271 -10.827 -7.178
63 HE2 PHE 9 HE2 PHE 9 12.327 -7.946 -10.138
64 HZ PHE 9 HZ PHE 9 12.994 -9.637 -8.475
65 H CYS 10 HN CYS 10 5.006 -11.180 -9.238
66 HA CYS 10 HA CYS 10 3.222 -9.112 -8.510
67 HB2 CYS 10 HB2 CYS 10 1.392 -9.578 -10.114
68 HB3 CYS 10 HB1 CYS 10 2.796 -8.845 -10.870
69 HN1 NH2 11 H1 CYS 10 2.785 -9.985 -6.655
70 HN2 NH2 11 H2 CYS 10 2.124 -11.562 -6.412
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 6.718 0.156 -1.334
2 H2 GLY 1 HT2 GLY 1 7.255 -1.155 -0.416
3 H3 GLY 1 HT3 GLY 1 6.223 -0.007 0.280
4 HA2 GLY 1 HA1 GLY 1 4.992 -1.978 -0.243
5 HA3 GLY 1 HA2 GLY 1 4.474 -0.641 -1.260
6 H PHE 2 HN PHE 2 4.287 -3.513 -1.715
7 HA PHE 2 HA PHE 2 6.180 -4.008 -3.858
8 HB2 PHE 2 HB2 PHE 2 3.961 -5.697 -2.714
9 HB3 PHE 2 HB1 PHE 2 5.022 -6.205 -4.018
10 HD1 PHE 2 HD1 PHE 2 4.657 -5.800 -0.456
11 HD2 PHE 2 HD2 PHE 2 7.441 -6.493 -3.591
12 HE1 PHE 2 HE1 PHE 2 6.297 -6.615 1.185
13 HE2 PHE 2 HE2 PHE 2 9.086 -7.310 -1.961
14 HZ PHE 2 HZ PHE 2 8.515 -7.373 0.430
15 H ARG 3 HN ARG 3 5.646 -4.201 -5.974
16 HA ARG 3 HA ARG 3 3.007 -3.146 -6.718
17 HB2 ARG 3 HB2 ARG 3 5.667 -2.754 -8.082
18 HB3 ARG 3 HB1 ARG 3 4.121 -2.220 -8.727
19 HG2 ARG 3 HG2 ARG 3 3.806 -0.762 -6.808
20 HG3 ARG 3 HG1 ARG 3 5.343 -1.308 -6.135
21 HD2 ARG 3 HD2 ARG 3 5.005 0.070 -8.787
22 HD3 ARG 3 HD1 ARG 3 5.489 0.869 -7.293
23 HE ARG 3 HE ARG 3 7.166 -1.354 -7.956
24 HH11 ARG 3 HH11 ARG 3 6.601 2.062 -8.547
25 HH12 ARG 3 HH12 ARG 3 8.223 2.369 -9.058
26 HH21 ARG 3 HH21 ARG 3 9.333 -0.929 -8.631
27 HH22 ARG 3 HH22 ARG 3 9.772 0.673 -9.110
28 H SER 4 HN SER 4 2.047 -4.009 -8.604
29 HA SER 4 HA SER 4 2.929 -6.720 -9.144
30 HB2 SER 4 HB2 SER 4 0.321 -5.386 -9.883
31 HB3 SER 4 HB1 SER 4 0.730 -7.092 -10.084
32 HG SER 4 HG SER 4 0.785 -5.788 -7.563
33 H ALA 5 HN ALA 5 4.653 -5.957 -10.393
34 HA ALA 5 HA ALA 5 3.785 -5.343 -13.124
35 HB1 ALA 5 HB1 ALA 5 6.312 -4.388 -11.794
36 HB2 ALA 5 HB2 ALA 5 4.926 -3.395 -12.259
37 HB3 ALA 5 HB3 ALA 5 5.907 -4.186 -13.498
38 H CYS 6 HN CYS 6 3.667 -7.660 -13.249
39 HA CYS 6 HA CYS 6 6.278 -8.922 -13.435
40 HB2 CYS 6 HB2 CYS 6 4.788 -10.954 -14.116
41 HB3 CYS 6 HB1 CYS 6 4.880 -10.453 -12.435
42 HA PRO 7 HA PRO 7 6.759 -10.862 -14.398
43 HB2 PRO 7 HB2 PRO 7 8.662 -11.744 -16.053
44 HB3 PRO 7 HB1 PRO 7 6.965 -12.174 -16.296
45 HG2 PRO 7 HG2 PRO 7 8.646 -10.205 -17.764
46 HG3 PRO 7 HG1 PRO 7 7.321 -11.219 -18.360
47 HD2 PRO 7 HD2 PRO 7 7.161 -8.488 -17.596
48 HD3 PRO 7 HD1 PRO 7 5.799 -9.570 -17.951
49 HA PRO 8 HA PRO 8 7.920 -11.904 -13.403
50 HB2 PRO 8 HB2 PRO 8 9.950 -12.817 -12.004
51 HB3 PRO 8 HB1 PRO 8 10.108 -12.660 -13.759
52 HG2 PRO 8 HG2 PRO 8 11.347 -11.024 -11.616
53 HG3 PRO 8 HG1 PRO 8 11.889 -11.284 -13.283
54 HD2 PRO 8 HD2 PRO 8 10.290 -9.087 -12.203
55 HD3 PRO 8 HD1 PRO 8 11.006 -9.249 -13.822
56 H PHE 9 HN PHE 9 7.131 -9.432 -11.978
57 HA PHE 9 HA PHE 9 7.195 -10.477 -9.238
58 HB2 PHE 9 HB2 PHE 9 7.788 -7.612 -9.979
59 HB3 PHE 9 HB1 PHE 9 7.500 -8.176 -8.340
60 HD1 PHE 9 HD1 PHE 9 9.041 -10.244 -7.650
61 HD2 PHE 9 HD2 PHE 9 9.957 -7.385 -10.662
62 HE1 PHE 9 HE1 PHE 9 11.433 -10.766 -7.413
63 HE2 PHE 9 HE2 PHE 9 12.349 -7.902 -10.433
64 HZ PHE 9 HZ PHE 9 13.091 -9.596 -8.806
65 H CYS 10 HN CYS 10 5.044 -11.147 -9.365
66 HA CYS 10 HA CYS 10 3.263 -9.135 -8.461
67 HB2 CYS 10 HB2 CYS 10 1.469 -9.361 -10.097
68 HB3 CYS 10 HB1 CYS 10 2.931 -8.790 -10.882
69 HN1 NH2 11 H1 CYS 10 3.152 -10.334 -6.643
70 HN2 NH2 11 H2 CYS 10 2.388 -11.882 -6.552
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 7.121 4.238 -5.640
2 H2 GLY 1 HT2 GLY 1 8.137 3.562 -4.474
3 H3 GLY 1 HT3 GLY 1 7.018 4.744 -4.024
4 HA2 GLY 1 HA1 GLY 1 6.257 2.580 -3.342
5 HA3 GLY 1 HA2 GLY 1 5.203 3.252 -4.577
6 H PHE 2 HN PHE 2 5.858 0.445 -3.759
7 HA PHE 2 HA PHE 2 7.162 -0.592 -6.142
8 HB2 PHE 2 HB2 PHE 2 6.104 -1.981 -3.684
9 HB3 PHE 2 HB1 PHE 2 6.860 -2.807 -5.036
10 HD1 PHE 2 HD1 PHE 2 7.403 -1.030 -1.976
11 HD2 PHE 2 HD2 PHE 2 9.252 -2.259 -5.601
12 HE1 PHE 2 HE1 PHE 2 9.614 -0.677 -0.963
13 HE2 PHE 2 HE2 PHE 2 11.466 -1.910 -4.597
14 HZ PHE 2 HZ PHE 2 11.652 -1.117 -2.273
15 H ARG 3 HN ARG 3 6.179 -1.865 -7.654
16 HA ARG 3 HA ARG 3 3.262 -2.109 -7.500
17 HB2 ARG 3 HB2 ARG 3 4.865 -1.085 -9.835
18 HB3 ARG 3 HB1 ARG 3 3.190 -1.596 -9.954
19 HG2 ARG 3 HG2 ARG 3 2.590 0.137 -8.289
20 HG3 ARG 3 HG1 ARG 3 4.268 0.687 -8.315
21 HD2 ARG 3 HD2 ARG 3 2.396 0.584 -10.668
22 HD3 ARG 3 HD1 ARG 3 2.862 2.037 -9.785
23 HE ARG 3 HE ARG 3 5.238 1.200 -10.521
24 HH11 ARG 3 HH11 ARG 3 2.285 1.207 -12.420
25 HH12 ARG 3 HH12 ARG 3 3.102 1.433 -13.928
26 HH21 ARG 3 HH21 ARG 3 6.323 1.500 -12.522
27 HH22 ARG 3 HH22 ARG 3 5.400 1.595 -13.985
28 H SER 4 HN SER 4 2.383 -3.837 -8.688
29 HA SER 4 HA SER 4 4.223 -6.041 -8.980
30 HB2 SER 4 HB2 SER 4 1.206 -5.977 -9.150
31 HB3 SER 4 HB1 SER 4 2.211 -7.424 -9.133
32 HG SER 4 HG SER 4 2.846 -5.841 -7.057
33 H ALA 5 HN ALA 5 5.188 -5.128 -10.820
34 HA ALA 5 HA ALA 5 3.600 -5.380 -13.263
35 HB1 ALA 5 HB1 ALA 5 4.645 -3.192 -13.011
36 HB2 ALA 5 HB2 ALA 5 5.338 -4.071 -14.378
37 HB3 ALA 5 HB3 ALA 5 6.229 -3.959 -12.862
38 H CYS 6 HN CYS 6 3.789 -7.665 -13.035
39 HA CYS 6 HA CYS 6 6.402 -8.797 -13.489
40 HB2 CYS 6 HB2 CYS 6 5.143 -10.973 -13.705
41 HB3 CYS 6 HB1 CYS 6 4.966 -10.152 -12.162
42 HA PRO 7 HA PRO 7 6.862 -10.974 -14.445
43 HB2 PRO 7 HB2 PRO 7 8.910 -11.079 -16.493
44 HB3 PRO 7 HB1 PRO 7 7.782 -12.344 -16.001
45 HG2 PRO 7 HG2 PRO 7 7.672 -11.090 -18.427
46 HG3 PRO 7 HG1 PRO 7 6.260 -11.799 -17.623
47 HD2 PRO 7 HD2 PRO 7 7.133 -8.933 -17.738
48 HD3 PRO 7 HD1 PRO 7 5.501 -9.620 -17.880
49 HA PRO 8 HA PRO 8 8.127 -11.889 -13.461
50 HB2 PRO 8 HB2 PRO 8 10.263 -12.600 -12.122
51 HB3 PRO 8 HB1 PRO 8 10.404 -12.321 -13.864
52 HG2 PRO 8 HG2 PRO 8 11.379 -10.641 -11.608
53 HG3 PRO 8 HG1 PRO 8 12.006 -10.769 -13.263
54 HD2 PRO 8 HD2 PRO 8 10.125 -8.822 -12.176
55 HD3 PRO 8 HD1 PRO 8 10.868 -8.859 -13.790
56 H PHE 9 HN PHE 9 7.100 -9.541 -11.961
57 HA PHE 9 HA PHE 9 7.110 -10.695 -9.272
58 HB2 PHE 9 HB2 PHE 9 7.821 -7.806 -9.817
59 HB3 PHE 9 HB1 PHE 9 7.430 -8.445 -8.228
60 HD1 PHE 9 HD1 PHE 9 8.901 -10.560 -7.547
61 HD2 PHE 9 HD2 PHE 9 10.020 -7.597 -10.385
62 HE1 PHE 9 HE1 PHE 9 11.268 -11.127 -7.199
63 HE2 PHE 9 HE2 PHE 9 12.389 -8.163 -10.050
64 HZ PHE 9 HZ PHE 9 13.017 -9.931 -8.454
65 H CYS 10 HN CYS 10 4.957 -11.194 -9.227
66 HA CYS 10 HA CYS 10 3.246 -9.027 -8.572
67 HB2 CYS 10 HB2 CYS 10 1.443 -9.440 -10.207
68 HB3 CYS 10 HB1 CYS 10 2.909 -8.846 -10.966
69 HN1 NH2 11 H1 CYS 10 3.063 -10.012 -6.643
70 HN2 NH2 11 H2 CYS 10 2.180 -11.478 -6.398
Start of MODEL 21
1 H1 GLY 1 HT1 GLY 1 5.044 5.460 -6.918
2 H2 GLY 1 HT2 GLY 1 5.427 5.113 -5.313
3 H3 GLY 1 HT3 GLY 1 4.182 6.201 -5.668
4 HA2 GLY 1 HA1 GLY 1 3.267 4.088 -4.984
5 HA3 GLY 1 HA2 GLY 1 2.871 4.451 -6.660
6 H PHE 2 HN PHE 2 3.019 1.860 -5.302
7 HA PHE 2 HA PHE 2 5.199 0.652 -6.859
8 HB2 PHE 2 HB2 PHE 2 3.861 -0.416 -4.380
9 HB3 PHE 2 HB1 PHE 2 5.139 -1.218 -5.278
10 HD1 PHE 2 HD1 PHE 2 4.363 1.192 -2.737
11 HD2 PHE 2 HD2 PHE 2 7.396 -0.131 -5.409
12 HE1 PHE 2 HE1 PHE 2 6.054 2.364 -1.392
13 HE2 PHE 2 HE2 PHE 2 9.090 1.035 -4.072
14 HZ PHE 2 HZ PHE 2 8.423 2.286 -2.057
15 H ARG 3 HN ARG 3 4.706 -0.833 -8.309
16 HA ARG 3 HA ARG 3 1.958 -1.853 -8.428
17 HB2 ARG 3 HB2 ARG 3 3.609 -0.790 -10.715
18 HB3 ARG 3 HB1 ARG 3 2.173 -1.776 -10.937
19 HG2 ARG 3 HG2 ARG 3 0.897 -0.039 -9.670
20 HG3 ARG 3 HG1 ARG 3 2.346 0.970 -9.732
21 HD2 ARG 3 HD2 ARG 3 0.861 -0.149 -12.104
22 HD3 ARG 3 HD1 ARG 3 0.792 1.518 -11.537
23 HE ARG 3 HE ARG 3 3.374 1.317 -11.955
24 HH11 ARG 3 HH11 ARG 3 0.772 0.071 -13.965
25 HH12 ARG 3 HH12 ARG 3 1.667 0.233 -15.433
26 HH21 ARG 3 HH21 ARG 3 4.551 1.534 -13.918
27 HH22 ARG 3 HH22 ARG 3 3.803 1.073 -15.412
28 H SER 4 HN SER 4 1.731 -3.900 -9.359
29 HA SER 4 HA SER 4 4.148 -5.489 -9.203
30 HB2 SER 4 HB2 SER 4 1.247 -6.335 -9.361
31 HB3 SER 4 HB1 SER 4 2.623 -7.409 -9.113
32 HG SER 4 HG SER 4 2.180 -5.235 -7.375
33 H ALA 5 HN ALA 5 4.881 -4.595 -11.166
34 HA ALA 5 HA ALA 5 3.452 -5.312 -13.578
35 HB1 ALA 5 HB1 ALA 5 5.117 -3.997 -14.764
36 HB2 ALA 5 HB2 ALA 5 6.006 -3.745 -13.261
37 HB3 ALA 5 HB3 ALA 5 4.390 -3.061 -13.455
38 H CYS 6 HN CYS 6 3.742 -7.526 -13.153
39 HA CYS 6 HA CYS 6 6.359 -8.655 -13.489
40 HB2 CYS 6 HB2 CYS 6 5.016 -10.818 -13.736
41 HB3 CYS 6 HB1 CYS 6 4.917 -9.982 -12.193
42 HA PRO 7 HA PRO 7 6.741 -10.929 -14.325
43 HB2 PRO 7 HB2 PRO 7 8.761 -11.389 -16.337
44 HB3 PRO 7 HB1 PRO 7 7.492 -12.488 -15.793
45 HG2 PRO 7 HG2 PRO 7 7.568 -11.358 -18.296
46 HG3 PRO 7 HG1 PRO 7 6.084 -11.906 -17.500
47 HD2 PRO 7 HD2 PRO 7 7.191 -9.131 -17.735
48 HD3 PRO 7 HD1 PRO 7 5.511 -9.686 -17.869
49 HA PRO 8 HA PRO 8 8.018 -11.925 -13.361
50 HB2 PRO 8 HB2 PRO 8 10.141 -12.693 -12.035
51 HB3 PRO 8 HB1 PRO 8 10.252 -12.497 -13.790
52 HG2 PRO 8 HG2 PRO 8 11.382 -10.783 -11.639
53 HG3 PRO 8 HG1 PRO 8 11.945 -11.007 -13.306
54 HD2 PRO 8 HD2 PRO 8 10.193 -8.929 -12.238
55 HD3 PRO 8 HD1 PRO 8 10.894 -9.056 -13.866
56 H PHE 9 HN PHE 9 7.096 -9.512 -11.932
57 HA PHE 9 HA PHE 9 7.207 -10.557 -9.200
58 HB2 PHE 9 HB2 PHE 9 7.833 -7.681 -9.888
59 HB3 PHE 9 HB1 PHE 9 7.522 -8.267 -8.260
60 HD1 PHE 9 HD1 PHE 9 9.056 -10.327 -7.561
61 HD2 PHE 9 HD2 PHE 9 10.006 -7.467 -10.562
62 HE1 PHE 9 HE1 PHE 9 11.445 -10.849 -7.296
63 HE2 PHE 9 HE2 PHE 9 12.395 -7.984 -10.308
64 HZ PHE 9 HZ PHE 9 13.119 -9.678 -8.673
65 H CYS 10 HN CYS 10 5.030 -11.200 -9.390
66 HA CYS 10 HA CYS 10 3.262 -9.183 -8.453
67 HB2 CYS 10 HB2 CYS 10 1.491 -9.339 -10.116
68 HB3 CYS 10 HB1 CYS 10 2.970 -8.768 -10.866
69 HN1 NH2 11 H1 CYS 10 2.467 -10.125 -6.771
70 HN2 NH2 11 H2 CYS 10 1.916 -11.759 -6.676
Start of MODEL 22
1 H1 GLY 1 HT1 GLY 1 2.188 3.668 -2.465
2 H2 GLY 1 HT2 GLY 1 0.663 3.006 -2.145
3 H3 GLY 1 HT3 GLY 1 0.792 4.564 -2.788
4 HA2 GLY 1 HA1 GLY 1 0.137 2.972 -4.469
5 HA3 GLY 1 HA2 GLY 1 1.689 3.718 -4.822
6 H PHE 2 HN PHE 2 0.118 0.892 -4.928
7 HA PHE 2 HA PHE 2 2.478 -0.699 -4.228
8 HB2 PHE 2 HB2 PHE 2 -0.359 -1.557 -4.774
9 HB3 PHE 2 HB1 PHE 2 0.966 -2.655 -4.432
10 HD1 PHE 2 HD1 PHE 2 -1.560 -0.541 -3.030
11 HD2 PHE 2 HD2 PHE 2 2.126 -2.493 -2.210
12 HE1 PHE 2 HE1 PHE 2 -1.984 -0.323 -0.619
13 HE2 PHE 2 HE2 PHE 2 1.711 -2.281 0.197
14 HZ PHE 2 HZ PHE 2 -0.348 -1.195 1.002
15 H ARG 3 HN ARG 3 3.553 -1.825 -5.739
16 HA ARG 3 HA ARG 3 2.521 -1.702 -8.483
17 HB2 ARG 3 HB2 ARG 3 5.359 -1.129 -7.641
18 HB3 ARG 3 HB1 ARG 3 4.829 -1.327 -9.304
19 HG2 ARG 3 HG2 ARG 3 3.253 0.589 -8.907
20 HG3 ARG 3 HG1 ARG 3 4.095 0.857 -7.379
21 HD2 ARG 3 HD2 ARG 3 5.266 0.951 -10.156
22 HD3 ARG 3 HD1 ARG 3 5.032 2.307 -9.055
23 HE ARG 3 HE ARG 3 6.676 0.335 -7.867
24 HH11 ARG 3 HH11 ARG 3 6.745 2.856 -10.296
25 HH12 ARG 3 HH12 ARG 3 8.444 3.125 -10.145
26 HH21 ARG 3 HH21 ARG 3 8.927 0.687 -7.674
27 HH22 ARG 3 HH22 ARG 3 9.693 1.888 -8.656
28 H SER 4 HN SER 4 2.751 -3.447 -9.665
29 HA SER 4 HA SER 4 4.615 -5.537 -8.961
30 HB2 SER 4 HB2 SER 4 1.627 -6.036 -9.001
31 HB3 SER 4 HB1 SER 4 2.867 -7.285 -8.896
32 HG SER 4 HG SER 4 3.237 -5.363 -7.025
33 H ALA 5 HN ALA 5 5.446 -4.815 -10.978
34 HA ALA 5 HA ALA 5 3.757 -5.301 -13.292
35 HB1 ALA 5 HB1 ALA 5 5.408 -4.073 -14.571
36 HB2 ALA 5 HB2 ALA 5 6.420 -3.908 -13.136
37 HB3 ALA 5 HB3 ALA 5 4.842 -3.120 -13.199
38 H CYS 6 HN CYS 6 3.932 -7.552 -12.928
39 HA CYS 6 HA CYS 6 6.460 -8.799 -13.465
40 HB2 CYS 6 HB2 CYS 6 5.143 -10.910 -13.546
41 HB3 CYS 6 HB1 CYS 6 4.911 -9.997 -12.066
42 HA PRO 7 HA PRO 7 6.814 -10.987 -14.398
43 HB2 PRO 7 HB2 PRO 7 8.767 -11.236 -16.530
44 HB3 PRO 7 HB1 PRO 7 7.620 -12.441 -15.942
45 HG2 PRO 7 HG2 PRO 7 7.433 -11.268 -18.399
46 HG3 PRO 7 HG1 PRO 7 6.034 -11.877 -17.497
47 HD2 PRO 7 HD2 PRO 7 7.039 -9.063 -17.756
48 HD3 PRO 7 HD1 PRO 7 5.372 -9.672 -17.806
49 HA PRO 8 HA PRO 8 8.036 -11.902 -13.398
50 HB2 PRO 8 HB2 PRO 8 10.147 -12.642 -12.023
51 HB3 PRO 8 HB1 PRO 8 10.271 -12.487 -13.782
52 HG2 PRO 8 HG2 PRO 8 11.407 -10.741 -11.665
53 HG3 PRO 8 HG1 PRO 8 11.946 -10.966 -13.341
54 HD2 PRO 8 HD2 PRO 8 10.177 -8.906 -12.243
55 HD3 PRO 8 HD1 PRO 8 10.895 -9.002 -13.865
56 H PHE 9 HN PHE 9 7.085 -9.468 -11.977
57 HA PHE 9 HA PHE 9 7.161 -10.529 -9.247
58 HB2 PHE 9 HB2 PHE 9 7.705 -7.629 -9.903
59 HB3 PHE 9 HB1 PHE 9 7.452 -8.263 -8.285
60 HD1 PHE 9 HD1 PHE 9 9.086 -10.225 -7.609
61 HD2 PHE 9 HD2 PHE 9 9.841 -7.375 -10.676
62 HE1 PHE 9 HE1 PHE 9 11.500 -10.658 -7.418
63 HE2 PHE 9 HE2 PHE 9 12.249 -7.804 -10.490
64 HZ PHE 9 HZ PHE 9 13.084 -9.449 -8.859
65 H CYS 10 HN CYS 10 5.014 -11.173 -9.326
66 HA CYS 10 HA CYS 10 3.215 -9.154 -8.502
67 HB2 CYS 10 HB2 CYS 10 1.440 -9.401 -10.160
68 HB3 CYS 10 HB1 CYS 10 2.908 -8.814 -10.916
69 HN1 NH2 11 H1 CYS 10 2.562 -10.083 -6.746
70 HN2 NH2 11 H2 CYS 10 1.973 -11.700 -6.600
Start of MODEL 23
1 H1 GLY 1 HT1 GLY 1 4.468 -1.467 1.546
2 H2 GLY 1 HT2 GLY 1 5.604 -0.956 0.401
3 H3 GLY 1 HT3 GLY 1 5.607 -2.556 0.932
4 HA2 GLY 1 HA1 GLY 1 3.425 -2.908 -0.056
5 HA3 GLY 1 HA2 GLY 1 3.471 -1.253 -0.646
6 H PHE 2 HN PHE 2 3.768 -4.273 -1.673
7 HA PHE 2 HA PHE 2 6.133 -3.923 -3.329
8 HB2 PHE 2 HB2 PHE 2 4.165 -6.210 -3.151
9 HB3 PHE 2 HB1 PHE 2 5.619 -6.209 -4.137
10 HD1 PHE 2 HD1 PHE 2 4.240 -6.988 -0.966
11 HD2 PHE 2 HD2 PHE 2 7.847 -5.866 -2.912
12 HE1 PHE 2 HE1 PHE 2 5.534 -7.862 0.935
13 HE2 PHE 2 HE2 PHE 2 9.147 -6.733 -1.018
14 HZ PHE 2 HZ PHE 2 7.991 -7.736 0.912
15 H ARG 3 HN ARG 3 6.104 -3.775 -5.558
16 HA ARG 3 HA ARG 3 3.600 -2.784 -6.674
17 HB2 ARG 3 HB2 ARG 3 6.425 -2.677 -7.728
18 HB3 ARG 3 HB1 ARG 3 5.025 -2.046 -8.583
19 HG2 ARG 3 HG2 ARG 3 4.604 -0.528 -6.669
20 HG3 ARG 3 HG1 ARG 3 6.104 -1.100 -5.939
21 HD2 ARG 3 HD2 ARG 3 5.846 0.257 -8.617
22 HD3 ARG 3 HD1 ARG 3 6.416 1.016 -7.133
23 HE ARG 3 HE ARG 3 7.927 -1.315 -7.849
24 HH11 ARG 3 HH11 ARG 3 7.586 2.127 -8.454
25 HH12 ARG 3 HH12 ARG 3 9.222 2.326 -8.962
26 HH21 ARG 3 HH21 ARG 3 10.093 -1.039 -8.517
27 HH22 ARG 3 HH22 ARG 3 10.659 0.521 -8.994
28 H SER 4 HN SER 4 2.805 -3.542 -8.689
29 HA SER 4 HA SER 4 3.415 -6.353 -9.096
30 HB2 SER 4 HB2 SER 4 1.176 -6.229 -10.379
31 HB3 SER 4 HB1 SER 4 1.149 -6.231 -8.612
32 HG SER 4 HG SER 4 0.670 -4.125 -10.415
33 H ALA 5 HN ALA 5 5.220 -5.877 -10.324
34 HA ALA 5 HA ALA 5 4.541 -5.162 -13.084
35 HB1 ALA 5 HB1 ALA 5 7.175 -4.686 -11.705
36 HB2 ALA 5 HB2 ALA 5 6.005 -3.452 -12.184
37 HB3 ALA 5 HB3 ALA 5 6.841 -4.409 -13.413
38 H CYS 6 HN CYS 6 4.003 -7.400 -13.247
39 HA CYS 6 HA CYS 6 6.396 -9.041 -13.499
40 HB2 CYS 6 HB2 CYS 6 4.780 -10.949 -13.797
41 HB3 CYS 6 HB1 CYS 6 4.810 -10.207 -12.206
42 HA PRO 7 HA PRO 7 6.772 -10.938 -14.426
43 HB2 PRO 7 HB2 PRO 7 8.720 -11.661 -16.129
44 HB3 PRO 7 HB1 PRO 7 7.062 -12.247 -16.296
45 HG2 PRO 7 HG2 PRO 7 8.488 -10.143 -17.839
46 HG3 PRO 7 HG1 PRO 7 7.262 -11.298 -18.384
47 HD2 PRO 7 HD2 PRO 7 6.824 -8.602 -17.701
48 HD3 PRO 7 HD1 PRO 7 5.571 -9.845 -17.898
49 HA PRO 8 HA PRO 8 7.954 -11.885 -13.399
50 HB2 PRO 8 HB2 PRO 8 10.047 -12.699 -12.036
51 HB3 PRO 8 HB1 PRO 8 10.172 -12.533 -13.794
52 HG2 PRO 8 HG2 PRO 8 11.371 -10.845 -11.666
53 HG3 PRO 8 HG1 PRO 8 11.889 -11.065 -13.347
54 HD2 PRO 8 HD2 PRO 8 10.183 -8.971 -12.212
55 HD3 PRO 8 HD1 PRO 8 10.899 -9.060 -13.835
56 H PHE 9 HN PHE 9 7.081 -9.427 -11.956
57 HA PHE 9 HA PHE 9 7.187 -10.495 -9.223
58 HB2 PHE 9 HB2 PHE 9 7.772 -7.614 -9.918
59 HB3 PHE 9 HB1 PHE 9 7.492 -8.206 -8.289
60 HD1 PHE 9 HD1 PHE 9 9.050 -10.288 -7.652
61 HD2 PHE 9 HD2 PHE 9 9.931 -7.344 -10.592
62 HE1 PHE 9 HE1 PHE 9 11.446 -10.789 -7.431
63 HE2 PHE 9 HE2 PHE 9 12.329 -7.842 -10.380
64 HZ PHE 9 HZ PHE 9 13.090 -9.566 -8.798
65 H CYS 10 HN CYS 10 5.003 -11.165 -9.466
66 HA CYS 10 HA CYS 10 3.259 -9.197 -8.394
67 HB2 CYS 10 HB2 CYS 10 1.472 -9.190 -10.011
68 HB3 CYS 10 HB1 CYS 10 2.950 -8.691 -10.813
69 HN1 NH2 11 H1 CYS 10 2.638 -10.281 -6.711
70 HN2 NH2 11 H2 CYS 10 2.039 -11.902 -6.707
Start of MODEL 24
1 H1 GLY 1 HT1 GLY 1 6.802 0.822 -0.230
2 H2 GLY 1 HT2 GLY 1 6.486 -0.810 0.074
3 H3 GLY 1 HT3 GLY 1 5.514 0.382 0.769
4 HA2 GLY 1 HA1 GLY 1 4.384 -0.651 -1.080
5 HA3 GLY 1 HA2 GLY 1 4.719 1.045 -1.400
6 H PHE 2 HN PHE 2 4.771 -1.931 -2.738
7 HA PHE 2 HA PHE 2 6.789 -1.089 -4.699
8 HB2 PHE 2 HB2 PHE 2 6.386 -3.874 -3.600
9 HB3 PHE 2 HB1 PHE 2 7.329 -3.524 -5.042
10 HD1 PHE 2 HD1 PHE 2 7.455 -3.978 -1.561
11 HD2 PHE 2 HD2 PHE 2 9.227 -1.750 -4.722
12 HE1 PHE 2 HE1 PHE 2 9.437 -3.575 -0.161
13 HE2 PHE 2 HE2 PHE 2 11.211 -1.344 -3.328
14 HZ PHE 2 HZ PHE 2 11.319 -2.257 -1.046
15 H ARG 3 HN ARG 3 6.365 -1.641 -6.829
16 HA ARG 3 HA ARG 3 3.543 -2.062 -7.376
17 HB2 ARG 3 HB2 ARG 3 5.847 -1.183 -9.097
18 HB3 ARG 3 HB1 ARG 3 4.219 -1.445 -9.709
19 HG2 ARG 3 HG2 ARG 3 3.340 0.314 -8.397
20 HG3 ARG 3 HG1 ARG 3 4.830 0.449 -7.462
21 HD2 ARG 3 HD2 ARG 3 4.651 0.937 -10.416
22 HD3 ARG 3 HD1 ARG 3 4.497 2.211 -9.206
23 HE ARG 3 HE ARG 3 6.842 0.975 -8.576
24 HH11 ARG 3 HH11 ARG 3 5.596 2.431 -11.511
25 HH12 ARG 3 HH12 ARG 3 7.142 2.959 -12.066
26 HH21 ARG 3 HH21 ARG 3 8.911 1.689 -9.312
27 HH22 ARG 3 HH22 ARG 3 9.029 2.520 -10.824
28 H SER 4 HN SER 4 2.752 -3.752 -8.602
29 HA SER 4 HA SER 4 4.571 -5.998 -8.876
30 HB2 SER 4 HB2 SER 4 2.324 -7.260 -9.121
31 HB3 SER 4 HB1 SER 4 2.822 -6.713 -7.517
32 HG SER 4 HG SER 4 0.748 -6.069 -7.723
33 H ALA 5 HN ALA 5 5.417 -5.202 -10.769
34 HA ALA 5 HA ALA 5 3.667 -5.414 -13.098
35 HB1 ALA 5 HB1 ALA 5 6.325 -4.021 -12.869
36 HB2 ALA 5 HB2 ALA 5 4.743 -3.239 -12.912
37 HB3 ALA 5 HB3 ALA 5 5.335 -4.122 -14.323
38 H CYS 6 HN CYS 6 3.820 -7.680 -12.939
39 HA CYS 6 HA CYS 6 6.360 -8.914 -13.462
40 HB2 CYS 6 HB2 CYS 6 4.960 -11.000 -13.818
41 HB3 CYS 6 HB1 CYS 6 4.888 -10.272 -12.220
42 HA PRO 7 HA PRO 7 6.844 -10.935 -14.405
43 HB2 PRO 7 HB2 PRO 7 8.852 -11.569 -16.062
44 HB3 PRO 7 HB1 PRO 7 7.223 -12.213 -16.299
45 HG2 PRO 7 HG2 PRO 7 8.589 -9.952 -17.700
46 HG3 PRO 7 HG1 PRO 7 7.556 -11.224 -18.374
47 HD2 PRO 7 HD2 PRO 7 6.696 -8.668 -17.787
48 HD3 PRO 7 HD1 PRO 7 5.634 -10.087 -17.870
49 HA PRO 8 HA PRO 8 8.144 -11.879 -13.473
50 HB2 PRO 8 HB2 PRO 8 10.264 -12.597 -12.113
51 HB3 PRO 8 HB1 PRO 8 10.414 -12.335 -13.856
52 HG2 PRO 8 HG2 PRO 8 11.392 -10.646 -11.612
53 HG3 PRO 8 HG1 PRO 8 12.021 -10.789 -13.266
54 HD2 PRO 8 HD2 PRO 8 10.158 -8.820 -12.193
55 HD3 PRO 8 HD1 PRO 8 10.896 -8.876 -13.809
56 H PHE 9 HN PHE 9 7.086 -9.563 -11.982
57 HA PHE 9 HA PHE 9 7.102 -10.710 -9.296
58 HB2 PHE 9 HB2 PHE 9 7.824 -7.822 -9.832
59 HB3 PHE 9 HB1 PHE 9 7.433 -8.474 -8.250
60 HD1 PHE 9 HD1 PHE 9 8.918 -10.552 -7.537
61 HD2 PHE 9 HD2 PHE 9 10.019 -7.639 -10.436
62 HE1 PHE 9 HE1 PHE 9 11.288 -11.104 -7.186
63 HE2 PHE 9 HE2 PHE 9 12.391 -8.192 -10.095
64 HZ PHE 9 HZ PHE 9 13.029 -9.925 -8.468
65 H CYS 10 HN CYS 10 4.922 -11.198 -9.291
66 HA CYS 10 HA CYS 10 3.273 -9.012 -8.537
67 HB2 CYS 10 HB2 CYS 10 1.433 -9.303 -10.148
68 HB3 CYS 10 HB1 CYS 10 2.907 -8.771 -10.938
69 HN1 NH2 11 H1 CYS 10 3.395 -10.249 -6.661
70 HN2 NH2 11 H2 CYS 10 2.378 -11.627 -6.435
Start of MODEL 25
1 H1 GLY 1 HT1 GLY 1 7.990 3.204 -3.508
2 H2 GLY 1 HT2 GLY 1 8.614 2.175 -2.326
3 H3 GLY 1 HT3 GLY 1 7.547 3.410 -1.891
4 HA2 GLY 1 HA1 GLY 1 6.403 1.303 -1.888
5 HA3 GLY 1 HA2 GLY 1 5.783 2.342 -3.166
6 H PHE 2 HN PHE 2 5.741 -0.579 -2.974
7 HA PHE 2 HA PHE 2 7.542 -1.271 -5.178
8 HB2 PHE 2 HB2 PHE 2 6.107 -3.050 -3.212
9 HB3 PHE 2 HB1 PHE 2 7.090 -3.629 -4.552
10 HD1 PHE 2 HD1 PHE 2 7.105 -2.255 -1.212
11 HD2 PHE 2 HD2 PHE 2 9.515 -3.187 -4.584
12 HE1 PHE 2 HE1 PHE 2 9.115 -2.084 0.187
13 HE2 PHE 2 HE2 PHE 2 11.530 -3.020 -3.193
14 HZ PHE 2 HZ PHE 2 11.333 -2.470 -0.803
15 H ARG 3 HN ARG 3 6.810 -2.188 -7.008
16 HA ARG 3 HA ARG 3 3.914 -1.995 -7.478
17 HB2 ARG 3 HB2 ARG 3 6.197 -1.624 -9.404
18 HB3 ARG 3 HB1 ARG 3 4.493 -1.566 -9.824
19 HG2 ARG 3 HG2 ARG 3 4.168 0.384 -8.481
20 HG3 ARG 3 HG1 ARG 3 5.821 0.286 -7.869
21 HD2 ARG 3 HD2 ARG 3 5.024 0.708 -10.735
22 HD3 ARG 3 HD1 ARG 3 5.603 1.962 -9.637
23 HE ARG 3 HE ARG 3 7.581 0.112 -9.568
24 HH11 ARG 3 HH11 ARG 3 5.985 1.814 -12.183
25 HH12 ARG 3 HH12 ARG 3 7.362 1.778 -13.225
26 HH21 ARG 3 HH21 ARG 3 9.421 0.058 -10.956
27 HH22 ARG 3 HH22 ARG 3 9.321 0.780 -12.524
28 H SER 4 HN SER 4 2.963 -3.582 -8.773
29 HA SER 4 HA SER 4 4.417 -6.094 -8.834
30 HB2 SER 4 HB2 SER 4 1.473 -5.552 -9.289
31 HB3 SER 4 HB1 SER 4 2.235 -7.138 -9.176
32 HG SER 4 HG SER 4 2.094 -5.168 -7.125
33 H ALA 5 HN ALA 5 5.688 -5.342 -10.553
34 HA ALA 5 HA ALA 5 4.320 -5.187 -13.128
35 HB1 ALA 5 HB1 ALA 5 7.120 -4.321 -12.421
36 HB2 ALA 5 HB2 ALA 5 5.728 -3.258 -12.641
37 HB3 ALA 5 HB3 ALA 5 6.361 -4.180 -14.006
38 H CYS 6 HN CYS 6 4.060 -7.480 -12.991
39 HA CYS 6 HA CYS 6 6.470 -9.002 -13.489
40 HB2 CYS 6 HB2 CYS 6 4.900 -10.950 -13.710
41 HB3 CYS 6 HB1 CYS 6 4.877 -10.152 -12.145
42 HA PRO 7 HA PRO 7 6.796 -11.004 -14.479
43 HB2 PRO 7 HB2 PRO 7 8.746 -11.633 -16.212
44 HB3 PRO 7 HB1 PRO 7 7.096 -12.231 -16.412
45 HG2 PRO 7 HG2 PRO 7 8.468 -9.960 -17.792
46 HG3 PRO 7 HG1 PRO 7 7.385 -11.189 -18.468
47 HD2 PRO 7 HD2 PRO 7 6.600 -8.637 -17.785
48 HD3 PRO 7 HD1 PRO 7 5.504 -10.032 -17.857
49 HA PRO 8 HA PRO 8 7.918 -11.885 -13.376
50 HB2 PRO 8 HB2 PRO 8 9.992 -12.712 -12.004
51 HB3 PRO 8 HB1 PRO 8 10.131 -12.562 -13.763
52 HG2 PRO 8 HG2 PRO 8 11.322 -10.860 -11.640
53 HG3 PRO 8 HG1 PRO 8 11.867 -11.118 -13.305
54 HD2 PRO 8 HD2 PRO 8 10.183 -8.975 -12.244
55 HD3 PRO 8 HD1 PRO 8 10.907 -9.122 -13.862
56 H PHE 9 HN PHE 9 7.064 -9.416 -11.982
57 HA PHE 9 HA PHE 9 7.213 -10.395 -9.214
58 HB2 PHE 9 HB2 PHE 9 7.611 -7.509 -10.017
59 HB3 PHE 9 HB1 PHE 9 7.427 -8.076 -8.366
60 HD1 PHE 9 HD1 PHE 9 9.157 -9.964 -7.676
61 HD2 PHE 9 HD2 PHE 9 9.710 -7.164 -10.831
62 HE1 PHE 9 HE1 PHE 9 11.591 -10.276 -7.523
63 HE2 PHE 9 HE2 PHE 9 12.143 -7.475 -10.687
64 HZ PHE 9 HZ PHE 9 13.086 -9.031 -9.033
65 H CYS 10 HN CYS 10 5.019 -11.171 -9.473
66 HA CYS 10 HA CYS 10 3.245 -9.224 -8.400
67 HB2 CYS 10 HB2 CYS 10 1.416 -9.329 -10.002
68 HB3 CYS 10 HB1 CYS 10 2.861 -8.718 -10.786
69 HN1 NH2 11 H1 CYS 10 2.857 -10.367 -6.667
70 HN2 NH2 11 H2 CYS 10 2.198 -11.965 -6.643
Start of MODEL 26
1 H1 GLY 1 HT1 GLY 1 3.047 3.174 -1.844
2 H2 GLY 1 HT2 GLY 1 1.486 2.649 -2.231
3 H3 GLY 1 HT3 GLY 1 1.911 4.271 -2.446
4 HA2 GLY 1 HA1 GLY 1 1.865 3.125 -4.553
5 HA3 GLY 1 HA2 GLY 1 3.484 3.680 -4.151
6 H PHE 2 HN PHE 2 1.385 0.911 -4.449
7 HA PHE 2 HA PHE 2 3.713 -0.848 -4.121
8 HB2 PHE 2 HB2 PHE 2 0.799 -1.595 -4.234
9 HB3 PHE 2 HB1 PHE 2 2.134 -2.685 -3.904
10 HD1 PHE 2 HD1 PHE 2 -0.330 -0.620 -2.467
11 HD2 PHE 2 HD2 PHE 2 3.608 -2.099 -1.854
12 HE1 PHE 2 HE1 PHE 2 -0.532 -0.147 -0.066
13 HE2 PHE 2 HE2 PHE 2 3.416 -1.632 0.546
14 HZ PHE 2 HZ PHE 2 1.341 -0.656 1.448
15 H ARG 3 HN ARG 3 4.557 -1.773 -5.839
16 HA ARG 3 HA ARG 3 3.053 -1.604 -8.353
17 HB2 ARG 3 HB2 ARG 3 6.014 -1.254 -7.921
18 HB3 ARG 3 HB1 ARG 3 5.271 -1.433 -9.504
19 HG2 ARG 3 HG2 ARG 3 3.895 0.577 -9.015
20 HG3 ARG 3 HG1 ARG 3 4.819 0.792 -7.530
21 HD2 ARG 3 HD2 ARG 3 5.973 0.731 -10.315
22 HD3 ARG 3 HD1 ARG 3 5.645 2.190 -9.384
23 HE ARG 3 HE ARG 3 7.262 0.705 -7.767
24 HH11 ARG 3 HH11 ARG 3 7.510 1.956 -11.035
25 HH12 ARG 3 HH12 ARG 3 9.232 2.086 -11.002
26 HH21 ARG 3 HH21 ARG 3 9.560 0.892 -7.707
27 HH22 ARG 3 HH22 ARG 3 10.405 1.482 -9.097
28 H SER 4 HN SER 4 2.806 -3.347 -9.509
29 HA SER 4 HA SER 4 4.435 -5.708 -8.943
30 HB2 SER 4 HB2 SER 4 1.439 -5.728 -9.401
31 HB3 SER 4 HB1 SER 4 2.462 -7.124 -9.062
32 HG SER 4 HG SER 4 2.972 -6.028 -7.028
33 H ALA 5 HN ALA 5 5.579 -5.045 -10.824
34 HA ALA 5 HA ALA 5 4.076 -5.195 -13.318
35 HB1 ALA 5 HB1 ALA 5 6.830 -4.077 -12.824
36 HB2 ALA 5 HB2 ALA 5 5.353 -3.140 -13.047
37 HB3 ALA 5 HB3 ALA 5 5.993 -4.112 -14.374
38 H CYS 6 HN CYS 6 3.987 -7.472 -13.049
39 HA CYS 6 HA CYS 6 6.468 -8.882 -13.516
40 HB2 CYS 6 HB2 CYS 6 5.053 -10.928 -13.559
41 HB3 CYS 6 HB1 CYS 6 4.908 -10.001 -12.075
42 HA PRO 7 HA PRO 7 6.843 -10.998 -14.429
43 HB2 PRO 7 HB2 PRO 7 8.857 -11.549 -16.135
44 HB3 PRO 7 HB1 PRO 7 7.254 -12.277 -16.303
45 HG2 PRO 7 HG2 PRO 7 8.451 -9.970 -17.782
46 HG3 PRO 7 HG1 PRO 7 7.459 -11.303 -18.400
47 HD2 PRO 7 HD2 PRO 7 6.482 -8.797 -17.842
48 HD3 PRO 7 HD1 PRO 7 5.496 -10.274 -17.805
49 HA PRO 8 HA PRO 8 8.118 -11.887 -13.443
50 HB2 PRO 8 HB2 PRO 8 10.250 -12.576 -12.118
51 HB3 PRO 8 HB1 PRO 8 10.409 -12.270 -13.855
52 HG2 PRO 8 HG2 PRO 8 11.289 -10.579 -11.557
53 HG3 PRO 8 HG1 PRO 8 11.999 -10.723 -13.179
54 HD2 PRO 8 HD2 PRO 8 10.077 -8.765 -12.217
55 HD3 PRO 8 HD1 PRO 8 10.845 -8.855 -13.818
56 H PHE 9 HN PHE 9 7.059 -9.529 -11.969
57 HA PHE 9 HA PHE 9 7.108 -10.644 -9.268
58 HB2 PHE 9 HB2 PHE 9 7.848 -7.782 -9.877
59 HB3 PHE 9 HB1 PHE 9 7.391 -8.342 -8.278
60 HD1 PHE 9 HD1 PHE 9 8.785 -10.465 -7.464
61 HD2 PHE 9 HD2 PHE 9 10.068 -7.639 -10.366
62 HE1 PHE 9 HE1 PHE 9 11.125 -11.065 -7.007
63 HE2 PHE 9 HE2 PHE 9 12.408 -8.236 -9.921
64 HZ PHE 9 HZ PHE 9 12.941 -9.952 -8.238
65 H CYS 10 HN CYS 10 4.940 -11.202 -9.351
66 HA CYS 10 HA CYS 10 3.241 -9.102 -8.467
67 HB2 CYS 10 HB2 CYS 10 1.402 -9.359 -10.085
68 HB3 CYS 10 HB1 CYS 10 2.857 -8.747 -10.853
69 HN1 NH2 11 H1 CYS 10 3.306 -10.370 -6.640
70 HN2 NH2 11 H2 CYS 10 2.377 -11.819 -6.495
Start of MODEL 27
1 H1 GLY 1 HT1 GLY 1 6.719 2.263 -0.925
2 H2 GLY 1 HT2 GLY 1 7.765 1.209 -1.740
3 H3 GLY 1 HT3 GLY 1 6.619 0.598 -0.664
4 HA2 GLY 1 HA1 GLY 1 4.829 1.292 -2.078
5 HA3 GLY 1 HA2 GLY 1 5.994 2.008 -3.181
6 H PHE 2 HN PHE 2 4.021 -0.509 -2.915
7 HA PHE 2 HA PHE 2 5.900 -2.431 -4.083
8 HB2 PHE 2 HB2 PHE 2 3.135 -2.836 -2.964
9 HB3 PHE 2 HB1 PHE 2 4.073 -4.094 -3.749
10 HD1 PHE 2 HD1 PHE 2 3.439 -2.362 -0.679
11 HD2 PHE 2 HD2 PHE 2 6.275 -4.763 -2.744
12 HE1 PHE 2 HE1 PHE 2 4.519 -2.918 1.459
13 HE2 PHE 2 HE2 PHE 2 7.359 -5.325 -0.617
14 HZ PHE 2 HZ PHE 2 6.481 -4.403 1.493
15 H ARG 3 HN ARG 3 5.720 -3.066 -6.098
16 HA ARG 3 HA ARG 3 3.384 -2.230 -7.647
17 HB2 ARG 3 HB2 ARG 3 6.262 -1.793 -8.402
18 HB3 ARG 3 HB1 ARG 3 4.936 -1.697 -9.553
19 HG2 ARG 3 HG2 ARG 3 3.929 0.089 -8.237
20 HG3 ARG 3 HG1 ARG 3 5.277 0.009 -7.101
21 HD2 ARG 3 HD2 ARG 3 5.447 0.695 -10.029
22 HD3 ARG 3 HD1 ARG 3 5.577 1.832 -8.689
23 HE ARG 3 HE ARG 3 7.494 -0.360 -8.770
24 HH11 ARG 3 HH11 ARG 3 6.856 3.040 -9.358
25 HH12 ARG 3 HH12 ARG 3 8.532 3.467 -9.414
26 HH21 ARG 3 HH21 ARG 3 9.711 0.216 -8.865
27 HH22 ARG 3 HH22 ARG 3 10.151 1.869 -9.147
28 H SER 4 HN SER 4 2.518 -3.898 -8.576
29 HA SER 4 HA SER 4 4.113 -6.302 -8.911
30 HB2 SER 4 HB2 SER 4 1.116 -5.932 -9.004
31 HB3 SER 4 HB1 SER 4 1.968 -7.469 -9.156
32 HG SER 4 HG SER 4 1.197 -6.261 -6.938
33 H ALA 5 HN ALA 5 5.170 -5.399 -10.684
34 HA ALA 5 HA ALA 5 3.588 -5.464 -13.147
35 HB1 ALA 5 HB1 ALA 5 5.374 -4.126 -14.177
36 HB2 ALA 5 HB2 ALA 5 6.200 -4.052 -12.621
37 HB3 ALA 5 HB3 ALA 5 4.617 -3.296 -12.817
38 H CYS 6 HN CYS 6 3.784 -7.772 -12.991
39 HA CYS 6 HA CYS 6 6.391 -8.885 -13.477
40 HB2 CYS 6 HB2 CYS 6 5.027 -11.020 -13.918
41 HB3 CYS 6 HB1 CYS 6 5.027 -10.366 -12.289
42 HA PRO 7 HA PRO 7 6.898 -10.966 -14.529
43 HB2 PRO 7 HB2 PRO 7 8.978 -11.027 -16.540
44 HB3 PRO 7 HB1 PRO 7 7.809 -12.284 -16.138
45 HG2 PRO 7 HG2 PRO 7 7.794 -10.891 -18.501
46 HG3 PRO 7 HG1 PRO 7 6.353 -11.633 -17.783
47 HD2 PRO 7 HD2 PRO 7 7.252 -8.773 -17.704
48 HD3 PRO 7 HD1 PRO 7 5.619 -9.434 -17.930
49 HA PRO 8 HA PRO 8 8.057 -11.877 -13.482
50 HB2 PRO 8 HB2 PRO 8 10.140 -12.668 -12.095
51 HB3 PRO 8 HB1 PRO 8 10.313 -12.416 -13.839
52 HG2 PRO 8 HG2 PRO 8 11.373 -10.782 -11.599
53 HG3 PRO 8 HG1 PRO 8 11.954 -10.903 -13.268
54 HD2 PRO 8 HD2 PRO 8 10.123 -8.933 -12.100
55 HD3 PRO 8 HD1 PRO 8 10.896 -8.917 -13.701
56 H PHE 9 HN PHE 9 7.095 -9.499 -11.987
57 HA PHE 9 HA PHE 9 7.086 -10.655 -9.293
58 HB2 PHE 9 HB2 PHE 9 7.775 -7.769 -9.862
59 HB3 PHE 9 HB1 PHE 9 7.403 -8.405 -8.269
60 HD1 PHE 9 HD1 PHE 9 8.875 -10.553 -7.642
61 HD2 PHE 9 HD2 PHE 9 9.967 -7.518 -10.408
62 HE1 PHE 9 HE1 PHE 9 11.245 -11.119 -7.317
63 HE2 PHE 9 HE2 PHE 9 12.334 -8.079 -10.097
64 HZ PHE 9 HZ PHE 9 12.982 -9.882 -8.549
65 H CYS 10 HN CYS 10 4.955 -11.169 -9.219
66 HA CYS 10 HA CYS 10 3.230 -9.022 -8.528
67 HB2 CYS 10 HB2 CYS 10 1.374 -9.579 -10.111
68 HB3 CYS 10 HB1 CYS 10 2.773 -8.855 -10.886
69 HN1 NH2 11 H1 CYS 10 3.290 -10.087 -6.584
70 HN2 NH2 11 H2 CYS 10 2.414 -11.550 -6.302
Start of MODEL 28
1 H1 GLY 1 HT1 GLY 1 5.011 5.563 -6.879
2 H2 GLY 1 HT2 GLY 1 5.779 5.298 -5.399
3 H3 GLY 1 HT3 GLY 1 4.429 6.306 -5.476
4 HA2 GLY 1 HA1 GLY 1 3.856 4.164 -4.541
5 HA3 GLY 1 HA2 GLY 1 3.023 4.460 -6.061
6 H PHE 2 HN PHE 2 3.919 1.963 -4.600
7 HA PHE 2 HA PHE 2 5.815 0.825 -6.487
8 HB2 PHE 2 HB2 PHE 2 4.502 -0.370 -4.043
9 HB3 PHE 2 HB1 PHE 2 5.702 -1.186 -5.036
10 HD1 PHE 2 HD1 PHE 2 5.177 0.901 -2.229
11 HD2 PHE 2 HD2 PHE 2 7.975 0.011 -5.306
12 HE1 PHE 2 HE1 PHE 2 6.975 1.913 -0.888
13 HE2 PHE 2 HE2 PHE 2 9.774 1.017 -3.970
14 HZ PHE 2 HZ PHE 2 9.275 1.971 -1.755
15 H ARG 3 HN ARG 3 5.387 -0.876 -7.842
16 HA ARG 3 HA ARG 3 2.583 -1.668 -8.181
17 HB2 ARG 3 HB2 ARG 3 4.402 -0.592 -10.324
18 HB3 ARG 3 HB1 ARG 3 2.930 -1.486 -10.667
19 HG2 ARG 3 HG2 ARG 3 1.591 0.208 -9.620
20 HG3 ARG 3 HG1 ARG 3 3.034 1.067 -9.078
21 HD2 ARG 3 HD2 ARG 3 2.298 0.557 -11.945
22 HD3 ARG 3 HD1 ARG 3 1.998 2.067 -11.083
23 HE ARG 3 HE ARG 3 4.698 1.492 -10.812
24 HH11 ARG 3 HH11 ARG 3 2.488 2.235 -13.422
25 HH12 ARG 3 HH12 ARG 3 3.685 2.983 -14.412
26 HH21 ARG 3 HH21 ARG 3 6.300 2.491 -12.095
27 HH22 ARG 3 HH22 ARG 3 5.890 3.132 -13.648
28 H SER 4 HN SER 4 2.305 -3.687 -9.185
29 HA SER 4 HA SER 4 4.667 -5.386 -9.076
30 HB2 SER 4 HB2 SER 4 1.739 -6.140 -9.083
31 HB3 SER 4 HB1 SER 4 3.096 -7.246 -8.883
32 HG SER 4 HG SER 4 3.514 -5.459 -7.087
33 H ALA 5 HN ALA 5 5.348 -4.592 -11.080
34 HA ALA 5 HA ALA 5 3.760 -5.221 -13.418
35 HB1 ALA 5 HB1 ALA 5 6.419 -3.830 -13.214
36 HB2 ALA 5 HB2 ALA 5 4.846 -3.043 -13.361
37 HB3 ALA 5 HB3 ALA 5 5.469 -4.039 -14.682
38 H CYS 6 HN CYS 6 3.916 -7.453 -13.045
39 HA CYS 6 HA CYS 6 6.466 -8.713 -13.498
40 HB2 CYS 6 HB2 CYS 6 5.155 -10.837 -13.520
41 HB3 CYS 6 HB1 CYS 6 4.933 -9.882 -12.067
42 HA PRO 7 HA PRO 7 6.784 -10.991 -14.370
43 HB2 PRO 7 HB2 PRO 7 8.759 -11.284 -16.481
44 HB3 PRO 7 HB1 PRO 7 7.612 -12.477 -15.873
45 HG2 PRO 7 HG2 PRO 7 7.436 -11.369 -18.357
46 HG3 PRO 7 HG1 PRO 7 6.029 -11.949 -17.447
47 HD2 PRO 7 HD2 PRO 7 7.046 -9.148 -17.776
48 HD3 PRO 7 HD1 PRO 7 5.376 -9.750 -17.815
49 HA PRO 8 HA PRO 8 8.016 -11.916 -13.368
50 HB2 PRO 8 HB2 PRO 8 10.136 -12.636 -11.981
51 HB3 PRO 8 HB1 PRO 8 10.238 -12.534 -13.743
52 HG2 PRO 8 HG2 PRO 8 11.445 -10.758 -11.701
53 HG3 PRO 8 HG1 PRO 8 11.918 -11.003 -13.391
54 HD2 PRO 8 HD2 PRO 8 10.188 -8.928 -12.248
55 HD3 PRO 8 HD1 PRO 8 10.880 -9.027 -13.883
56 H PHE 9 HN PHE 9 7.089 -9.463 -11.975
57 HA PHE 9 HA PHE 9 7.195 -10.474 -9.217
58 HB2 PHE 9 HB2 PHE 9 7.634 -7.570 -9.943
59 HB3 PHE 9 HB1 PHE 9 7.450 -8.191 -8.311
60 HD1 PHE 9 HD1 PHE 9 9.163 -10.165 -7.741
61 HD2 PHE 9 HD2 PHE 9 9.742 -7.165 -10.702
62 HE1 PHE 9 HE1 PHE 9 11.594 -10.510 -7.614
63 HE2 PHE 9 HE2 PHE 9 12.172 -7.509 -10.580
64 HZ PHE 9 HZ PHE 9 13.102 -9.184 -9.036
65 H CYS 10 HN CYS 10 5.041 -11.193 -9.336
66 HA CYS 10 HA CYS 10 3.223 -9.201 -8.471
67 HB2 CYS 10 HB2 CYS 10 1.430 -9.473 -10.120
68 HB3 CYS 10 HB1 CYS 10 2.877 -8.814 -10.861
69 HN1 NH2 11 H1 CYS 10 2.888 -10.278 -6.665
70 HN2 NH2 11 H2 CYS 10 2.169 -11.845 -6.569
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