NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
636808 |
6nox   |
30562 | 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 H GLY 1 8.395 -1.210 0.385
2 HA2 GLY 1 2HA GLY 1 8.663 -0.180 2.563
3 HA3 GLY 1 1HA GLY 1 9.507 1.139 1.762
4 H PHE 2 H PHE 2 7.519 0.989 -0.455
5 HA PHE 2 HA PHE 2 5.659 2.823 0.778
6 HB2 PHE 2 2HB PHE 2 6.930 3.179 -1.434
7 HB3 PHE 2 1HB PHE 2 5.773 2.055 -2.125
8 HD1 PHE 2 1HD PHE 2 6.093 5.286 -0.386
9 HD2 PHE 2 2HD PHE 2 3.635 2.793 -2.791
10 HE1 PHE 2 1HE PHE 2 4.559 7.168 -0.756
11 HE2 PHE 2 2HE PHE 2 2.095 4.669 -3.164
12 HZ PHE 2 HZ PHE 2 2.559 6.866 -2.148
13 H CYS 3 H CYS 3 3.760 2.156 1.457
14 HA CYS 3 HA CYS 3 2.620 -0.340 0.407
15 HB2 CYS 3 2HB CYS 3 2.027 1.035 3.036
16 HB3 CYS 3 1HB CYS 3 1.481 -0.553 2.539
17 H HIS 4 H HIS 4 0.503 -0.261 -0.379
18 HA HIS 4 HA HIS 4 -0.659 2.408 -0.583
19 HB2 HIS 4 2HB HIS 4 -1.240 -0.134 -2.127
20 HB3 HIS 4 1HB HIS 4 -2.155 1.356 -2.306
21 HD1 HIS 4 1HD HIS 4 -0.493 -0.041 -4.604
22 HD2 HIS 4 2HD HIS 4 0.688 3.206 -2.321
23 HE1 HIS 4 1HE HIS 4 1.263 1.161 -5.968
24 H ARG 5 H ARG 5 -2.568 2.844 0.293
25 HA ARG 5 HA ARG 5 -3.521 0.882 2.167
26 HB2 ARG 5 2HB ARG 5 -3.223 3.221 2.915
27 HB3 ARG 5 1HB ARG 5 -4.476 3.718 1.784
28 HG2 ARG 5 2HG ARG 5 -6.090 2.318 2.957
29 HG3 ARG 5 1HG ARG 5 -4.837 1.831 4.095
30 HD2 ARG 5 2HD ARG 5 -4.572 4.154 4.782
31 HD3 ARG 5 1HD ARG 5 -5.852 4.632 3.659
32 HE ARG 5 HE ARG 5 -6.603 2.567 5.460
33 HH11 ARG 5 1HH1 ARG 5 -6.436 6.080 5.050
34 HH12 ARG 5 2HH1 ARG 5 -7.574 6.417 6.273
35 HH21 ARG 5 1HH2 ARG 5 -8.142 3.006 7.083
36 HH22 ARG 5 2HH2 ARG 5 -8.599 4.603 7.468
37 H SER 6 H SER 6 -4.211 -0.511 0.577
38 HA SER 6 HA SER 6 -6.817 0.083 -0.562
39 HB2 SER 6 2HB SER 6 -6.268 -2.125 -1.771
40 HB3 SER 6 1HB SER 6 -5.271 -0.732 -2.199
41 HG SER 6 HG SER 6 -4.615 -3.058 -0.852
42 H TYR 7 H TYR 7 -7.917 -2.470 -0.501
43 HA TYR 7 HA TYR 7 -7.406 -3.500 2.170
44 HB2 TYR 7 2HB TYR 7 -9.435 -1.911 2.154
45 HB3 TYR 7 1HB TYR 7 -10.245 -3.145 1.196
46 HD1 TYR 7 1HD TYR 7 -8.766 -2.384 4.473
47 HD2 TYR 7 2HD TYR 7 -11.096 -5.162 2.251
48 HE1 TYR 7 1HE TYR 7 -9.407 -3.491 6.547
49 HE2 TYR 7 2HE TYR 7 -11.751 -6.281 4.327
50 HH TYR 7 HH TYR 7 -11.321 -4.893 7.331
51 HA PRO 8 HA PRO 8 -6.579 -5.217 2.856
52 HB2 PRO 8 2HB PRO 8 -4.596 -6.923 2.190
53 HB3 PRO 8 1HB PRO 8 -6.143 -7.496 2.817
54 HG2 PRO 8 2HG PRO 8 -5.181 -7.343 0.002
55 HG3 PRO 8 1HG PRO 8 -6.047 -8.666 0.809
56 HD2 PRO 8 2HD PRO 8 -7.265 -6.879 -0.828
57 HD3 PRO 8 1HD PRO 8 -8.093 -7.629 0.546
58 HA PRO 9 HA PRO 9 -3.746 -2.149 1.298
59 HB2 PRO 9 2HB PRO 9 -1.894 -2.258 3.366
60 HB3 PRO 9 1HB PRO 9 -3.381 -1.306 3.398
61 HG2 PRO 9 2HG PRO 9 -2.815 -3.976 4.597
62 HG3 PRO 9 1HG PRO 9 -3.786 -2.642 5.239
63 HD2 PRO 9 2HD PRO 9 -4.911 -4.821 4.138
64 HD3 PRO 9 1HD PRO 9 -5.632 -3.209 3.962
65 H GLU 10 H GLU 10 -2.492 -2.606 -0.357
66 HA GLU 10 HA GLU 10 -0.797 -4.938 -0.291
67 HB2 GLU 10 2HB GLU 10 -1.293 -2.961 -2.502
68 HB3 GLU 10 1HB GLU 10 -0.363 -4.441 -2.647
69 HG2 GLU 10 2HG GLU 10 -2.397 -5.719 -2.091
70 HG3 GLU 10 1HG GLU 10 -3.303 -4.204 -2.089
71 H CYS 11 H CYS 11 1.277 -4.846 0.188
72 HA CYS 11 HA CYS 11 2.652 -2.337 -0.280
73 HB2 CYS 11 2HB CYS 11 2.059 -2.554 2.152
74 HB3 CYS 11 1HB CYS 11 3.026 -4.026 2.193
75 H TRP 12 H TRP 12 4.785 -2.555 -0.796
76 HA TRP 12 HA TRP 12 5.625 -5.270 -1.496
77 HB2 TRP 12 2HB TRP 12 6.029 -2.657 -2.992
78 HB3 TRP 12 1HB TRP 12 6.885 -4.137 -3.403
79 HD1 TRP 12 HD TRP 12 5.551 -5.995 -4.723
80 HE1 TRP 12 1HE TRP 12 3.242 -6.053 -5.856
81 HE3 TRP 12 3HE TRP 12 3.585 -1.689 -2.786
82 HZ2 TRP 12 2HZ TRP 12 0.898 -4.473 -5.929
83 HZ3 TRP 12 3HZ TRP 12 1.305 -1.043 -3.441
84 HH2 TRP 12 HH TRP 12 -0.000 -2.417 -4.982
85 HA PRO 13 HA PRO 13 9.244 -4.628 1.003
86 HB2 PRO 13 2HB PRO 13 11.251 -5.664 -0.542
87 HB3 PRO 13 1HB PRO 13 10.082 -6.652 0.344
88 HG2 PRO 13 2HG PRO 13 10.086 -5.832 -2.531
89 HG3 PRO 13 1HG PRO 13 9.755 -7.427 -1.832
90 HD2 PRO 13 2HD PRO 13 7.765 -5.845 -2.630
91 HD3 PRO 13 1HD PRO 13 7.613 -6.822 -1.157
92 H ASN 14 H ASN 14 8.630 -2.618 -1.253
93 HA ASN 14 HA ASN 14 11.186 -1.294 -1.674
94 HB2 ASN 14 2HB ASN 14 9.520 -1.303 -3.485
95 HB3 ASN 14 1HB ASN 14 8.354 -0.520 -2.430
96 HD21 ASN 14 1HD2 ASN 14 11.180 -0.108 -4.357
97 HD22 ASN 14 2HD2 ASN 14 11.202 1.617 -4.315
Start of MODEL 2
1 H1 GLY 1 H GLY 1 8.420 -1.243 0.467
2 HA2 GLY 1 2HA GLY 1 7.966 -0.336 2.668
3 HA3 GLY 1 1HA GLY 1 8.906 1.080 2.212
4 H PHE 2 H PHE 2 7.196 0.211 -0.432
5 HA PHE 2 HA PHE 2 5.290 2.302 0.140
6 HB2 PHE 2 2HB PHE 2 6.447 2.397 -2.042
7 HB3 PHE 2 1HB PHE 2 5.744 0.840 -2.477
8 HD1 PHE 2 1HD PHE 2 3.755 0.812 -3.675
9 HD2 PHE 2 2HD PHE 2 4.727 4.248 -1.370
10 HE1 PHE 2 1HE PHE 2 1.748 1.943 -4.522
11 HE2 PHE 2 2HE PHE 2 2.724 5.390 -2.220
12 HZ PHE 2 HZ PHE 2 1.228 4.239 -3.797
13 H CYS 3 H CYS 3 3.786 1.582 1.380
14 HA CYS 3 HA CYS 3 2.307 -0.804 0.570
15 HB2 CYS 3 2HB CYS 3 2.178 0.734 3.176
16 HB3 CYS 3 1HB CYS 3 1.321 -0.753 2.818
17 H HIS 4 H HIS 4 0.636 -0.368 -0.662
18 HA HIS 4 HA HIS 4 -0.465 2.270 -0.814
19 HB2 HIS 4 2HB HIS 4 -0.206 0.977 -2.864
20 HB3 HIS 4 1HB HIS 4 -1.158 -0.342 -2.199
21 HD1 HIS 4 1HD HIS 4 -1.628 3.278 -3.395
22 HD2 HIS 4 2HD HIS 4 -3.764 -0.218 -2.728
23 HE1 HIS 4 1HE HIS 4 -3.929 3.727 -4.232
24 H ARG 5 H ARG 5 -2.434 2.909 -0.101
25 HA ARG 5 HA ARG 5 -3.473 1.354 2.082
26 HB2 ARG 5 2HB ARG 5 -3.011 3.822 2.287
27 HB3 ARG 5 1HB ARG 5 -4.284 4.121 1.127
28 HG2 ARG 5 2HG ARG 5 -4.817 2.748 3.758
29 HG3 ARG 5 1HG ARG 5 -4.794 4.497 3.611
30 HD2 ARG 5 2HD ARG 5 -6.608 2.595 2.134
31 HD3 ARG 5 1HD ARG 5 -7.071 3.644 3.475
32 HE ARG 5 HE ARG 5 -6.112 5.401 1.699
33 HH11 ARG 5 1HH1 ARG 5 -8.509 2.799 1.368
34 HH12 ARG 5 2HH1 ARG 5 -9.297 3.528 0.056
35 HH21 ARG 5 1HH2 ARG 5 -7.204 6.383 -0.090
36 HH22 ARG 5 2HH2 ARG 5 -8.551 5.608 -0.801
37 H SER 6 H SER 6 -4.377 -0.308 1.085
38 HA SER 6 HA SER 6 -6.963 0.187 -0.167
39 HB2 SER 6 2HB SER 6 -6.456 -1.948 -1.478
40 HB3 SER 6 1HB SER 6 -5.562 -0.512 -1.975
41 HG SER 6 HG SER 6 -4.705 -2.820 -0.652
42 H TYR 7 H TYR 7 -8.009 -2.305 -0.093
43 HA TYR 7 HA TYR 7 -7.383 -3.327 2.560
44 HB2 TYR 7 2HB TYR 7 -9.367 -1.768 2.593
45 HB3 TYR 7 1HB TYR 7 -10.184 -2.881 1.506
46 HD1 TYR 7 1HD TYR 7 -11.505 -4.569 2.415
47 HD2 TYR 7 2HD TYR 7 -8.494 -2.766 4.802
48 HE1 TYR 7 1HE TYR 7 -12.299 -5.824 4.362
49 HE2 TYR 7 2HE TYR 7 -9.264 -4.010 6.744
50 HH TYR 7 HH TYR 7 -11.424 -6.606 6.504
51 HA PRO 8 HA PRO 8 -6.344 -4.975 3.152
52 HB2 PRO 8 2HB PRO 8 -4.595 -6.908 1.795
53 HB3 PRO 8 1HB PRO 8 -5.313 -7.005 3.404
54 HG2 PRO 8 2HG PRO 8 -6.122 -8.604 1.410
55 HG3 PRO 8 1HG PRO 8 -7.252 -7.978 2.625
56 HD2 PRO 8 2HD PRO 8 -6.740 -6.988 -0.162
57 HD3 PRO 8 1HD PRO 8 -8.293 -7.285 0.648
58 HA PRO 9 HA PRO 9 -3.471 -2.182 1.230
59 HB2 PRO 9 2HB PRO 9 -1.355 -2.337 2.971
60 HB3 PRO 9 1HB PRO 9 -2.826 -1.417 3.295
61 HG2 PRO 9 2HG PRO 9 -2.052 -4.147 4.236
62 HG3 PRO 9 1HG PRO 9 -2.844 -2.837 5.133
63 HD2 PRO 9 2HD PRO 9 -4.229 -4.929 4.160
64 HD3 PRO 9 1HD PRO 9 -4.916 -3.292 4.217
65 H GLU 10 H GLU 10 -2.474 -2.651 -0.579
66 HA GLU 10 HA GLU 10 -0.868 -5.040 -0.928
67 HB2 GLU 10 2HB GLU 10 -2.376 -4.121 -2.696
68 HB3 GLU 10 1HB GLU 10 -1.361 -2.691 -2.776
69 HG2 GLU 10 2HG GLU 10 -0.819 -4.142 -4.599
70 HG3 GLU 10 1HG GLU 10 0.529 -4.119 -3.467
71 H CYS 11 H CYS 11 1.321 -5.014 -0.444
72 HA CYS 11 HA CYS 11 2.571 -2.395 -0.555
73 HB2 CYS 11 2HB CYS 11 1.965 -2.855 1.786
74 HB3 CYS 11 1HB CYS 11 2.915 -4.331 1.743
75 H TRP 12 H TRP 12 4.711 -2.327 -0.952
76 HA TRP 12 HA TRP 12 5.858 -4.782 -2.040
77 HB2 TRP 12 2HB TRP 12 6.163 -1.899 -2.933
78 HB3 TRP 12 1HB TRP 12 7.148 -3.227 -3.532
79 HD1 TRP 12 HD TRP 12 6.148 -4.761 -5.376
80 HE1 TRP 12 1HE TRP 12 4.013 -4.678 -6.804
81 HE3 TRP 12 3HE TRP 12 3.581 -1.204 -2.769
82 HZ2 TRP 12 2HZ TRP 12 1.546 -3.279 -6.813
83 HZ3 TRP 12 3HZ TRP 12 1.344 -0.554 -3.555
84 HH2 TRP 12 HH TRP 12 0.359 -1.577 -5.531
85 HA PRO 13 HA PRO 13 8.922 -4.657 1.092
86 HB2 PRO 13 2HB PRO 13 11.163 -5.359 -0.396
87 HB3 PRO 13 1HB PRO 13 10.006 -6.472 0.338
88 HG2 PRO 13 2HG PRO 13 10.173 -5.479 -2.465
89 HG3 PRO 13 1HG PRO 13 9.730 -7.086 -1.867
90 HD2 PRO 13 2HD PRO 13 7.875 -5.374 -2.748
91 HD3 PRO 13 1HD PRO 13 7.562 -6.437 -1.359
92 H ASN 14 H ASN 14 9.340 -2.466 -1.541
93 HA ASN 14 HA ASN 14 11.645 -1.170 -0.427
94 HB2 ASN 14 2HB ASN 14 9.670 -0.241 -2.509
95 HB3 ASN 14 1HB ASN 14 10.923 0.827 -1.890
96 HD21 ASN 14 1HD2 ASN 14 10.558 -0.105 -4.574
97 HD22 ASN 14 2HD2 ASN 14 11.981 -0.966 -5.013
Start of MODEL 3
1 H1 GLY 1 H GLY 1 8.842 -1.339 0.055
2 HA2 GLY 1 2HA GLY 1 8.472 -0.339 2.159
3 HA3 GLY 1 1HA GLY 1 9.609 0.940 1.726
4 H PHE 2 H PHE 2 6.862 -0.390 0.013
5 HA PHE 2 HA PHE 2 5.611 2.258 0.062
6 HB2 PHE 2 2HB PHE 2 6.819 1.856 -2.111
7 HB3 PHE 2 1HB PHE 2 5.807 0.442 -2.361
8 HD1 PHE 2 1HD PHE 2 3.464 0.685 -2.959
9 HD2 PHE 2 2HD PHE 2 5.938 4.069 -2.315
10 HE1 PHE 2 1HE PHE 2 1.770 2.118 -3.997
11 HE2 PHE 2 2HE PHE 2 4.240 5.510 -3.356
12 HZ PHE 2 HZ PHE 2 2.157 4.533 -4.197
13 H CYS 3 H CYS 3 3.438 2.129 0.503
14 HA CYS 3 HA CYS 3 2.126 -0.477 0.295
15 HB2 CYS 3 2HB CYS 3 1.971 1.377 2.682
16 HB3 CYS 3 1HB CYS 3 1.104 -0.137 2.486
17 H HIS 4 H HIS 4 -0.130 -0.280 0.013
18 HA HIS 4 HA HIS 4 -1.119 2.462 -0.398
19 HB2 HIS 4 2HB HIS 4 -2.000 -0.108 -1.756
20 HB3 HIS 4 1HB HIS 4 -2.959 1.358 -1.782
21 HD1 HIS 4 1HD HIS 4 -1.758 3.457 -3.117
22 HD2 HIS 4 2HD HIS 4 -0.199 -0.346 -3.707
23 HE1 HIS 4 1HE HIS 4 -0.426 3.580 -5.228
24 H ARG 5 H ARG 5 -3.144 2.905 0.491
25 HA ARG 5 HA ARG 5 -3.844 1.105 2.674
26 HB2 ARG 5 2HB ARG 5 -4.822 3.908 2.075
27 HB3 ARG 5 1HB ARG 5 -5.265 2.961 3.485
28 HG2 ARG 5 2HG ARG 5 -2.544 4.065 2.809
29 HG3 ARG 5 1HG ARG 5 -3.597 4.552 4.136
30 HD2 ARG 5 2HD ARG 5 -2.190 1.902 3.790
31 HD3 ARG 5 1HD ARG 5 -1.835 3.136 4.993
32 HE ARG 5 HE ARG 5 -4.359 2.594 5.563
33 HH11 ARG 5 1HH1 ARG 5 -1.570 0.481 5.072
34 HH12 ARG 5 2HH1 ARG 5 -2.178 -0.825 5.946
35 HH21 ARG 5 1HH2 ARG 5 -5.246 0.804 6.811
36 HH22 ARG 5 2HH2 ARG 5 -4.346 -0.624 6.973
37 H SER 6 H SER 6 -4.373 -0.097 0.526
38 HA SER 6 HA SER 6 -6.983 0.429 -0.529
39 HB2 SER 6 2HB SER 6 -6.262 -1.607 -1.884
40 HB3 SER 6 1HB SER 6 -5.301 -0.137 -2.078
41 HG SER 6 HG SER 6 -4.623 -2.572 -0.965
42 H TYR 7 H TYR 7 -7.934 -2.099 -0.934
43 HA TYR 7 HA TYR 7 -7.892 -3.429 1.641
44 HB2 TYR 7 2HB TYR 7 -9.928 -2.024 1.501
45 HB3 TYR 7 1HB TYR 7 -10.385 -2.854 0.020
46 HD1 TYR 7 1HD TYR 7 -9.416 -3.690 3.515
47 HD2 TYR 7 2HD TYR 7 -11.972 -4.533 0.226
48 HE1 TYR 7 1HE TYR 7 -10.590 -5.335 4.866
49 HE2 TYR 7 2HE TYR 7 -13.169 -6.196 1.573
50 HH TYR 7 HH TYR 7 -12.752 -7.610 3.590
51 HA PRO 8 HA PRO 8 -7.012 -5.063 2.265
52 HB2 PRO 8 2HB PRO 8 -4.880 -6.824 1.414
53 HB3 PRO 8 1HB PRO 8 -6.155 -7.141 2.591
54 HG2 PRO 8 2HG PRO 8 -5.981 -8.397 0.172
55 HG3 PRO 8 1HG PRO 8 -7.502 -8.149 1.046
56 HD2 PRO 8 2HD PRO 8 -6.364 -6.614 -1.255
57 HD3 PRO 8 1HD PRO 8 -8.040 -7.108 -0.944
58 HA PRO 9 HA PRO 9 -3.714 -2.282 1.153
59 HB2 PRO 9 2HB PRO 9 -2.673 -1.803 3.594
60 HB3 PRO 9 1HB PRO 9 -4.256 -1.188 3.126
61 HG2 PRO 9 2HG PRO 9 -3.580 -3.544 4.830
62 HG3 PRO 9 1HG PRO 9 -4.881 -2.355 5.023
63 HD2 PRO 9 2HD PRO 9 -5.205 -4.871 3.933
64 HD3 PRO 9 1HD PRO 9 -6.276 -3.492 3.623
65 H GLU 10 H GLU 10 -2.041 -3.135 0.060
66 HA GLU 10 HA GLU 10 -0.377 -5.046 1.485
67 HB2 GLU 10 2HB GLU 10 0.331 -5.922 -0.703
68 HB3 GLU 10 1HB GLU 10 -1.394 -6.070 -0.419
69 HG2 GLU 10 2HG GLU 10 -1.763 -4.094 -1.836
70 HG3 GLU 10 1HG GLU 10 -0.029 -4.051 -2.170
71 H CYS 11 H CYS 11 1.907 -5.091 0.935
72 HA CYS 11 HA CYS 11 2.972 -2.424 0.422
73 HB2 CYS 11 2HB CYS 11 3.758 -4.350 2.610
74 HB3 CYS 11 1HB CYS 11 4.672 -2.912 2.175
75 H TRP 12 H TRP 12 4.991 -2.386 -0.476
76 HA TRP 12 HA TRP 12 5.935 -4.899 -1.645
77 HB2 TRP 12 2HB TRP 12 6.036 -2.063 -2.707
78 HB3 TRP 12 1HB TRP 12 6.984 -3.374 -3.400
79 HD1 TRP 12 HD TRP 12 5.797 -4.942 -5.097
80 HE1 TRP 12 1HE TRP 12 3.412 -5.047 -6.097
81 HE3 TRP 12 3HE TRP 12 3.438 -1.614 -2.018
82 HZ2 TRP 12 2HZ TRP 12 0.908 -3.913 -5.639
83 HZ3 TRP 12 3HZ TRP 12 1.056 -1.193 -2.353
84 HH2 TRP 12 HH TRP 12 -0.192 -2.333 -4.147
85 HA PRO 13 HA PRO 13 9.653 -4.767 0.729
86 HB2 PRO 13 2HB PRO 13 11.035 -5.159 -1.879
87 HB3 PRO 13 1HB PRO 13 11.228 -6.052 -0.363
88 HG2 PRO 13 2HG PRO 13 9.834 -7.122 -2.325
89 HG3 PRO 13 1HG PRO 13 9.237 -7.229 -0.659
90 HD2 PRO 13 2HD PRO 13 8.318 -5.475 -2.894
91 HD3 PRO 13 1HD PRO 13 7.382 -6.289 -1.623
92 H ASN 14 H ASN 14 9.491 -2.720 -2.079
93 HA ASN 14 HA ASN 14 11.800 -1.151 -1.599
94 HB2 ASN 14 2HB ASN 14 10.670 -1.098 -3.766
95 HB3 ASN 14 1HB ASN 14 9.217 -0.446 -3.029
96 HD21 ASN 14 1HD2 ASN 14 9.088 1.768 -2.663
97 HD22 ASN 14 2HD2 ASN 14 10.281 2.867 -3.211
Start of MODEL 4
1 H1 GLY 1 H GLY 1 9.270 -1.296 0.918
2 HA2 GLY 1 2HA GLY 1 8.722 -0.032 2.736
3 HA3 GLY 1 1HA GLY 1 9.805 1.210 2.111
4 H PHE 2 H PHE 2 6.898 -0.217 0.696
5 HA PHE 2 HA PHE 2 5.495 2.294 0.948
6 HB2 PHE 2 2HB PHE 2 6.824 2.532 -1.147
7 HB3 PHE 2 1HB PHE 2 6.064 1.075 -1.768
8 HD1 PHE 2 1HD PHE 2 3.921 1.161 -2.795
9 HD2 PHE 2 2HD PHE 2 5.437 4.567 -0.732
10 HE1 PHE 2 1HE PHE 2 2.102 2.529 -3.718
11 HE2 PHE 2 2HE PHE 2 3.621 5.937 -1.659
12 HZ PHE 2 HZ PHE 2 1.950 4.920 -3.151
13 H CYS 3 H CYS 3 3.364 1.969 1.112
14 HA CYS 3 HA CYS 3 2.248 -0.618 0.361
15 HB2 CYS 3 2HB CYS 3 1.737 0.920 2.913
16 HB3 CYS 3 1HB CYS 3 0.816 -0.483 2.385
17 H HIS 4 H HIS 4 0.225 -0.514 -0.421
18 HA HIS 4 HA HIS 4 -0.812 2.151 -1.044
19 HB2 HIS 4 2HB HIS 4 -0.476 0.572 -2.923
20 HB3 HIS 4 1HB HIS 4 -1.511 -0.600 -2.126
21 HD1 HIS 4 1HD HIS 4 -3.570 -0.713 -3.514
22 HD2 HIS 4 2HD HIS 4 -2.228 3.178 -3.012
23 HE1 HIS 4 1HE HIS 4 -5.239 0.750 -4.692
24 H ARG 5 H ARG 5 -2.606 2.846 0.040
25 HA ARG 5 HA ARG 5 -3.635 1.017 2.002
26 HB2 ARG 5 2HB ARG 5 -4.254 3.953 1.660
27 HB3 ARG 5 1HB ARG 5 -4.832 2.939 2.976
28 HG2 ARG 5 2HG ARG 5 -1.946 3.589 2.383
29 HG3 ARG 5 1HG ARG 5 -2.923 4.287 3.671
30 HD2 ARG 5 2HD ARG 5 -2.210 1.347 3.414
31 HD3 ARG 5 1HD ARG 5 -1.415 2.515 4.459
32 HE ARG 5 HE ARG 5 -4.086 2.642 5.053
33 HH11 ARG 5 1HH1 ARG 5 -1.621 0.065 5.246
34 HH12 ARG 5 2HH1 ARG 5 -2.253 -0.567 6.688
35 HH21 ARG 5 1HH2 ARG 5 -4.877 1.717 7.037
36 HH22 ARG 5 2HH2 ARG 5 -4.099 0.383 7.739
37 H SER 6 H SER 6 -4.397 -0.268 0.362
38 HA SER 6 HA SER 6 -7.093 0.332 -0.532
39 HB2 SER 6 2HB SER 6 -6.632 -1.865 -1.757
40 HB3 SER 6 1HB SER 6 -5.634 -0.491 -2.249
41 HG SER 6 HG SER 6 -4.940 -2.805 -0.851
42 H TYR 7 H TYR 7 -8.090 -2.315 -0.400
43 HA TYR 7 HA TYR 7 -7.387 -3.308 2.216
44 HB2 TYR 7 2HB TYR 7 -9.404 -1.669 2.313
45 HB3 TYR 7 1HB TYR 7 -10.298 -2.972 1.540
46 HD1 TYR 7 1HD TYR 7 -11.149 -4.770 2.832
47 HD2 TYR 7 2HD TYR 7 -8.256 -2.140 4.494
48 HE1 TYR 7 1HE TYR 7 -11.498 -5.784 5.036
49 HE2 TYR 7 2HE TYR 7 -8.584 -3.138 6.689
50 HH TYR 7 HH TYR 7 -10.356 -4.299 7.842
51 HA PRO 8 HA PRO 8 -6.639 -5.114 2.900
52 HB2 PRO 8 2HB PRO 8 -4.706 -6.829 2.085
53 HB3 PRO 8 1HB PRO 8 -6.221 -7.385 2.800
54 HG2 PRO 8 2HG PRO 8 -5.462 -7.182 -0.083
55 HG3 PRO 8 1HG PRO 8 -6.258 -8.521 0.763
56 HD2 PRO 8 2HD PRO 8 -7.641 -6.748 -0.719
57 HD3 PRO 8 1HD PRO 8 -8.308 -7.459 0.764
58 HA PRO 9 HA PRO 9 -3.742 -2.190 1.071
59 HB2 PRO 9 2HB PRO 9 -2.128 -2.356 3.501
60 HB3 PRO 9 1HB PRO 9 -3.098 -1.007 2.917
61 HG2 PRO 9 2HG PRO 9 -3.761 -2.440 5.111
62 HG3 PRO 9 1HG PRO 9 -4.970 -1.682 4.060
63 HD2 PRO 9 2HD PRO 9 -4.073 -4.530 4.179
64 HD3 PRO 9 1HD PRO 9 -5.713 -3.857 4.001
65 H GLU 10 H GLU 10 -2.321 -2.816 -0.379
66 HA GLU 10 HA GLU 10 -0.678 -5.151 0.094
67 HB2 GLU 10 2HB GLU 10 -1.168 -3.479 -2.350
68 HB3 GLU 10 1HB GLU 10 -0.091 -4.870 -2.310
69 HG2 GLU 10 2HG GLU 10 -1.924 -6.315 -1.703
70 HG3 GLU 10 1HG GLU 10 -3.013 -4.934 -1.636
71 H CYS 11 H CYS 11 1.470 -5.172 0.274
72 HA CYS 11 HA CYS 11 2.826 -2.584 0.231
73 HB2 CYS 11 2HB CYS 11 3.213 -4.862 2.170
74 HB3 CYS 11 1HB CYS 11 4.237 -3.431 2.067
75 H TRP 12 H TRP 12 4.918 -2.555 -0.447
76 HA TRP 12 HA TRP 12 5.817 -4.942 -1.900
77 HB2 TRP 12 2HB TRP 12 6.165 -2.002 -2.565
78 HB3 TRP 12 1HB TRP 12 7.004 -3.297 -3.406
79 HD1 TRP 12 HD TRP 12 5.636 -4.667 -5.207
80 HE1 TRP 12 1HE TRP 12 3.337 -4.307 -6.313
81 HE3 TRP 12 3HE TRP 12 3.754 -1.116 -2.057
82 HZ2 TRP 12 2HZ TRP 12 1.039 -2.742 -5.901
83 HZ3 TRP 12 3HZ TRP 12 1.499 -0.241 -2.486
84 HH2 TRP 12 HH TRP 12 0.173 -1.047 -4.375
85 HA PRO 13 HA PRO 13 9.630 -4.607 0.538
86 HB2 PRO 13 2HB PRO 13 11.262 -5.364 -1.760
87 HB3 PRO 13 1HB PRO 13 10.858 -6.320 -0.332
88 HG2 PRO 13 2HG PRO 13 9.930 -6.894 -2.808
89 HG3 PRO 13 1HG PRO 13 9.038 -7.276 -1.329
90 HD2 PRO 13 2HD PRO 13 8.667 -5.017 -3.247
91 HD3 PRO 13 1HD PRO 13 7.443 -6.015 -2.431
92 H ASN 14 H ASN 14 8.785 -2.250 -0.673
93 HA ASN 14 HA ASN 14 11.288 -0.944 -1.565
94 HB2 ASN 14 2HB ASN 14 8.465 -0.309 -2.475
95 HB3 ASN 14 1HB ASN 14 9.928 0.506 -3.001
96 HD21 ASN 14 1HD2 ASN 14 11.448 -2.015 -3.249
97 HD22 ASN 14 2HD2 ASN 14 10.851 -2.753 -4.685
Start of MODEL 5
1 H1 GLY 1 H GLY 1 9.241 -0.904 0.688
2 HA2 GLY 1 2HA GLY 1 9.413 0.553 2.468
3 HA3 GLY 1 1HA GLY 1 10.237 1.694 1.407
4 H PHE 2 H PHE 2 7.198 0.258 0.655
5 HA PHE 2 HA PHE 2 5.613 2.531 1.359
6 HB2 PHE 2 2HB PHE 2 6.611 3.402 -0.691
7 HB3 PHE 2 1HB PHE 2 6.242 1.914 -1.546
8 HD1 PHE 2 1HD PHE 2 4.673 4.835 0.125
9 HD2 PHE 2 2HD PHE 2 4.214 1.673 -2.684
10 HE1 PHE 2 1HE PHE 2 2.531 5.791 -0.599
11 HE2 PHE 2 2HE PHE 2 2.063 2.627 -3.409
12 HZ PHE 2 HZ PHE 2 1.220 4.677 -2.367
13 H CYS 3 H CYS 3 3.572 1.855 1.687
14 HA CYS 3 HA CYS 3 2.773 -0.732 0.572
15 HB2 CYS 3 2HB CYS 3 1.766 0.607 3.107
16 HB3 CYS 3 1HB CYS 3 1.344 -0.994 2.532
17 H HIS 4 H HIS 4 0.643 -0.762 -0.345
18 HA HIS 4 HA HIS 4 -0.337 1.868 -1.079
19 HB2 HIS 4 2HB HIS 4 -0.008 0.069 -2.795
20 HB3 HIS 4 1HB HIS 4 -1.222 -0.895 -1.973
21 HD1 HIS 4 1HD HIS 4 -0.859 1.541 -4.657
22 HD2 HIS 4 2HD HIS 4 -3.836 0.380 -2.024
23 HE1 HIS 4 1HE HIS 4 -2.993 2.376 -5.653
24 H ARG 5 H ARG 5 -2.063 2.729 -0.108
25 HA ARG 5 HA ARG 5 -3.338 1.140 1.906
26 HB2 ARG 5 2HB ARG 5 -4.540 3.273 2.556
27 HB3 ARG 5 1HB ARG 5 -2.805 3.264 2.771
28 HG2 ARG 5 2HG ARG 5 -2.582 4.548 0.667
29 HG3 ARG 5 1HG ARG 5 -4.342 4.599 0.560
30 HD2 ARG 5 2HD ARG 5 -2.766 5.622 2.910
31 HD3 ARG 5 1HD ARG 5 -3.308 6.633 1.572
32 HE ARG 5 HE ARG 5 -5.595 5.637 2.257
33 HH11 ARG 5 1HH1 ARG 5 -3.055 6.533 4.556
34 HH12 ARG 5 2HH1 ARG 5 -4.118 7.151 5.720
35 HH21 ARG 5 1HH2 ARG 5 -7.075 6.506 3.867
36 HH22 ARG 5 2HH2 ARG 5 -6.467 7.151 5.309
37 H SER 6 H SER 6 -4.410 -0.288 0.847
38 HA SER 6 HA SER 6 -6.995 0.581 -0.177
39 HB2 SER 6 2HB SER 6 -6.781 -1.468 -1.694
40 HB3 SER 6 1HB SER 6 -5.779 -0.089 -2.133
41 HG SER 6 HG SER 6 -4.848 -2.360 -1.961
42 H TYR 7 H TYR 7 -8.052 -2.035 -0.377
43 HA TYR 7 HA TYR 7 -7.318 -3.405 2.040
44 HB2 TYR 7 2HB TYR 7 -9.135 -1.934 2.800
45 HB3 TYR 7 1HB TYR 7 -10.180 -2.550 1.521
46 HD1 TYR 7 1HD TYR 7 -8.168 -3.747 4.431
47 HD2 TYR 7 2HD TYR 7 -11.610 -4.327 2.001
48 HE1 TYR 7 1HE TYR 7 -8.889 -5.552 5.900
49 HE2 TYR 7 2HE TYR 7 -12.352 -6.130 3.465
50 HH TYR 7 HH TYR 7 -10.907 -6.713 6.523
51 HA PRO 8 HA PRO 8 -6.875 -5.247 2.701
52 HB2 PRO 8 2HB PRO 8 -5.270 -7.259 1.281
53 HB3 PRO 8 1HB PRO 8 -6.150 -7.420 2.803
54 HG2 PRO 8 2HG PRO 8 -6.963 -8.664 0.569
55 HG3 PRO 8 1HG PRO 8 -8.115 -8.031 1.759
56 HD2 PRO 8 2HD PRO 8 -7.235 -6.829 -0.848
57 HD3 PRO 8 1HD PRO 8 -8.873 -6.974 -0.169
58 HA PRO 9 HA PRO 9 -3.854 -2.468 0.952
59 HB2 PRO 9 2HB PRO 9 -2.224 -2.316 3.183
60 HB3 PRO 9 1HB PRO 9 -3.677 -1.347 2.929
61 HG2 PRO 9 2HG PRO 9 -3.307 -3.801 4.575
62 HG3 PRO 9 1HG PRO 9 -4.317 -2.380 4.884
63 HD2 PRO 9 2HD PRO 9 -5.287 -4.738 4.007
64 HD3 PRO 9 1HD PRO 9 -6.030 -3.177 3.603
65 H GLU 10 H GLU 10 -2.405 -3.114 -0.423
66 HA GLU 10 HA GLU 10 -0.781 -5.450 0.157
67 HB2 GLU 10 2HB GLU 10 -1.986 -5.423 -1.968
68 HB3 GLU 10 1HB GLU 10 -1.235 -3.893 -2.385
69 HG2 GLU 10 2HG GLU 10 0.911 -4.934 -2.584
70 HG3 GLU 10 1HG GLU 10 0.270 -6.459 -1.969
71 H CYS 11 H CYS 11 1.339 -5.313 0.539
72 HA CYS 11 HA CYS 11 2.537 -2.690 0.164
73 HB2 CYS 11 2HB CYS 11 2.010 -3.172 2.578
74 HB3 CYS 11 1HB CYS 11 3.097 -4.552 2.481
75 H TRP 12 H TRP 12 4.596 -2.709 -0.581
76 HA TRP 12 HA TRP 12 5.619 -5.325 -1.470
77 HB2 TRP 12 2HB TRP 12 6.030 -2.611 -2.760
78 HB3 TRP 12 1HB TRP 12 6.524 -4.166 -3.403
79 HD1 TRP 12 HD TRP 12 4.439 -5.803 -4.243
80 HE1 TRP 12 1HE TRP 12 2.187 -5.116 -5.309
81 HE3 TRP 12 3HE TRP 12 4.310 -0.914 -2.799
82 HZ2 TRP 12 2HZ TRP 12 0.588 -2.819 -5.510
83 HZ3 TRP 12 3HZ TRP 12 2.384 0.462 -3.472
84 HH2 TRP 12 HH TRP 12 0.569 -0.479 -4.799
85 HA PRO 13 HA PRO 13 9.319 -4.123 0.835
86 HB2 PRO 13 2HB PRO 13 11.307 -5.186 -0.647
87 HB3 PRO 13 1HB PRO 13 10.159 -6.210 0.227
88 HG2 PRO 13 2HG PRO 13 10.136 -5.396 -2.659
89 HG3 PRO 13 1HG PRO 13 9.951 -7.020 -1.968
90 HD2 PRO 13 2HD PRO 13 7.839 -5.585 -2.742
91 HD3 PRO 13 1HD PRO 13 7.776 -6.624 -1.306
92 H ASN 14 H ASN 14 8.300 -2.158 -0.943
93 HA ASN 14 HA ASN 14 10.622 -0.905 -2.269
94 HB2 ASN 14 2HB ASN 14 7.663 -0.270 -2.435
95 HB3 ASN 14 1HB ASN 14 8.917 0.621 -3.274
96 HD21 ASN 14 1HD2 ASN 14 7.972 0.159 -5.256
97 HD22 ASN 14 2HD2 ASN 14 8.042 -1.394 -5.988
Start of MODEL 6
1 H1 GLY 1 H GLY 1 8.711 -1.256 -0.002
2 HA2 GLY 1 2HA GLY 1 8.607 -0.153 2.079
3 HA3 GLY 1 1HA GLY 1 9.741 1.055 1.470
4 H PHE 2 H PHE 2 6.562 -0.265 0.735
5 HA PHE 2 HA PHE 2 5.350 2.304 0.720
6 HB2 PHE 2 2HB PHE 2 6.404 2.361 -1.514
7 HB3 PHE 2 1HB PHE 2 5.622 0.841 -1.921
8 HD1 PHE 2 1HD PHE 2 4.909 4.363 -0.976
9 HD2 PHE 2 2HD PHE 2 3.489 0.832 -2.884
10 HE1 PHE 2 1HE PHE 2 2.965 5.602 -1.822
11 HE2 PHE 2 2HE PHE 2 1.548 2.063 -3.724
12 HZ PHE 2 HZ PHE 2 1.281 4.455 -3.199
13 H CYS 3 H CYS 3 3.468 1.881 1.624
14 HA CYS 3 HA CYS 3 2.109 -0.604 0.899
15 HB2 CYS 3 2HB CYS 3 1.944 0.979 3.475
16 HB3 CYS 3 1HB CYS 3 0.924 -0.400 3.088
17 H HIS 4 H HIS 4 0.310 -0.403 -0.136
18 HA HIS 4 HA HIS 4 -0.721 2.272 -0.680
19 HB2 HIS 4 2HB HIS 4 -0.300 0.761 -2.580
20 HB3 HIS 4 1HB HIS 4 -1.415 -0.418 -1.901
21 HD1 HIS 4 1HD HIS 4 -3.762 -0.278 -2.816
22 HD2 HIS 4 2HD HIS 4 -1.640 3.272 -3.272
23 HE1 HIS 4 1HE HIS 4 -5.223 1.231 -4.214
24 H ARG 5 H ARG 5 -2.590 3.012 0.176
25 HA ARG 5 HA ARG 5 -3.900 1.299 2.062
26 HB2 ARG 5 2HB ARG 5 -3.504 3.696 2.584
27 HB3 ARG 5 1HB ARG 5 -4.645 4.129 1.318
28 HG2 ARG 5 2HG ARG 5 -6.450 3.074 2.492
29 HG3 ARG 5 1HG ARG 5 -5.345 2.435 3.707
30 HD2 ARG 5 2HD ARG 5 -4.770 4.772 4.324
31 HD3 ARG 5 1HD ARG 5 -6.010 5.333 3.203
32 HE ARG 5 HE ARG 5 -7.360 3.614 4.734
33 HH11 ARG 5 1HH1 ARG 5 -5.305 6.393 5.556
34 HH12 ARG 5 2HH1 ARG 5 -6.034 6.653 7.060
35 HH21 ARG 5 1HH2 ARG 5 -8.385 4.027 6.803
36 HH22 ARG 5 2HH2 ARG 5 -7.831 5.297 7.786
37 H SER 6 H SER 6 -4.759 -0.234 0.904
38 HA SER 6 HA SER 6 -7.269 0.379 -0.417
39 HB2 SER 6 2HB SER 6 -6.652 -1.563 -1.962
40 HB3 SER 6 1HB SER 6 -5.773 -0.059 -2.227
41 HG SER 6 HG SER 6 -4.865 -2.483 -1.087
42 H TYR 7 H TYR 7 -8.191 -2.177 -0.691
43 HA TYR 7 HA TYR 7 -7.515 -3.473 1.805
44 HB2 TYR 7 2HB TYR 7 -9.692 -2.334 2.129
45 HB3 TYR 7 1HB TYR 7 -10.344 -3.220 0.751
46 HD1 TYR 7 1HD TYR 7 -11.257 -5.360 1.042
47 HD2 TYR 7 2HD TYR 7 -8.874 -3.691 4.133
48 HE1 TYR 7 1HE TYR 7 -11.844 -7.236 2.495
49 HE2 TYR 7 2HE TYR 7 -9.459 -5.563 5.603
50 HH TYR 7 HH TYR 7 -10.951 -8.379 4.427
51 HA PRO 8 HA PRO 8 -6.791 -5.111 2.536
52 HB2 PRO 8 2HB PRO 8 -4.643 -6.832 1.561
53 HB3 PRO 8 1HB PRO 8 -5.787 -7.132 2.870
54 HG2 PRO 8 2HG PRO 8 -5.863 -8.524 0.558
55 HG3 PRO 8 1HG PRO 8 -7.328 -8.131 1.474
56 HD2 PRO 8 2HD PRO 8 -6.186 -6.753 -0.933
57 HD3 PRO 8 1HD PRO 8 -7.866 -7.235 -0.609
58 HA PRO 9 HA PRO 9 -3.620 -2.132 1.421
59 HB2 PRO 9 2HB PRO 9 -2.083 -2.230 3.709
60 HB3 PRO 9 1HB PRO 9 -3.578 -1.301 3.578
61 HG2 PRO 9 2HG PRO 9 -3.109 -3.978 4.806
62 HG3 PRO 9 1HG PRO 9 -4.162 -2.665 5.354
63 HD2 PRO 9 2HD PRO 9 -5.105 -4.860 4.078
64 HD3 PRO 9 1HD PRO 9 -5.862 -3.265 3.917
65 H GLU 10 H GLU 10 -2.123 -2.672 0.001
66 HA GLU 10 HA GLU 10 -0.597 -5.112 0.451
67 HB2 GLU 10 2HB GLU 10 -1.921 -4.797 -1.674
68 HB3 GLU 10 1HB GLU 10 -0.817 -3.495 -2.094
69 HG2 GLU 10 2HG GLU 10 -0.220 -5.572 -3.216
70 HG3 GLU 10 1HG GLU 10 1.047 -5.056 -2.101
71 H CYS 11 H CYS 11 1.566 -5.099 0.607
72 HA CYS 11 HA CYS 11 2.901 -2.499 0.551
73 HB2 CYS 11 2HB CYS 11 3.357 -4.821 2.433
74 HB3 CYS 11 1HB CYS 11 4.386 -3.402 2.341
75 H TRP 12 H TRP 12 4.964 -2.433 -0.233
76 HA TRP 12 HA TRP 12 5.844 -4.783 -1.756
77 HB2 TRP 12 2HB TRP 12 6.011 -1.837 -2.407
78 HB3 TRP 12 1HB TRP 12 6.982 -3.042 -3.241
79 HD1 TRP 12 HD TRP 12 5.840 -4.421 -5.122
80 HE1 TRP 12 1HE TRP 12 3.532 -4.359 -6.238
81 HE3 TRP 12 3HE TRP 12 3.437 -1.338 -1.838
82 HZ2 TRP 12 2HZ TRP 12 0.995 -3.151 -5.776
83 HZ3 TRP 12 3HZ TRP 12 1.090 -0.783 -2.248
84 HH2 TRP 12 HH TRP 12 -0.106 -1.673 -4.184
85 HA PRO 13 HA PRO 13 9.589 -4.828 0.677
86 HB2 PRO 13 2HB PRO 13 11.042 -5.180 -1.895
87 HB3 PRO 13 1HB PRO 13 11.078 -6.176 -0.437
88 HG2 PRO 13 2HG PRO 13 9.769 -6.999 -2.604
89 HG3 PRO 13 1HG PRO 13 9.123 -7.289 -0.981
90 HD2 PRO 13 2HD PRO 13 8.273 -5.280 -3.023
91 HD3 PRO 13 1HD PRO 13 7.300 -6.208 -1.868
92 H ASN 14 H ASN 14 9.284 -2.844 -2.089
93 HA ASN 14 HA ASN 14 11.548 -1.188 -2.050
94 HB2 ASN 14 2HB ASN 14 8.741 -0.303 -2.754
95 HB3 ASN 14 1HB ASN 14 10.249 0.379 -3.338
96 HD21 ASN 14 1HD2 ASN 14 11.360 -0.709 -4.974
97 HD22 ASN 14 2HD2 ASN 14 10.627 -1.991 -5.874
Start of MODEL 7
1 H1 GLY 1 H GLY 1 8.398 -1.191 0.454
2 HA2 GLY 1 2HA GLY 1 8.581 -0.447 2.893
3 HA3 GLY 1 1HA GLY 1 9.419 0.936 2.210
4 H PHE 2 H PHE 2 7.559 0.918 -0.152
5 HA PHE 2 HA PHE 2 5.531 2.464 1.215
6 HB2 PHE 2 2HB PHE 2 4.935 3.391 -1.004
7 HB3 PHE 2 1HB PHE 2 6.624 3.629 -0.599
8 HD1 PHE 2 1HD PHE 2 8.373 2.382 -1.814
9 HD2 PHE 2 2HD PHE 2 4.259 2.060 -2.871
10 HE1 PHE 2 1HE PHE 2 9.003 1.432 -3.985
11 HE2 PHE 2 2HE PHE 2 4.890 1.108 -5.038
12 HZ PHE 2 HZ PHE 2 7.263 0.791 -5.601
13 H CYS 3 H CYS 3 3.387 2.164 1.164
14 HA CYS 3 HA CYS 3 2.405 -0.305 -0.087
15 HB2 CYS 3 2HB CYS 3 1.523 0.725 2.601
16 HB3 CYS 3 1HB CYS 3 1.112 -0.809 1.868
17 H HIS 4 H HIS 4 0.381 -0.039 -1.036
18 HA HIS 4 HA HIS 4 -0.740 2.628 -0.866
19 HB2 HIS 4 2HB HIS 4 -1.225 0.340 -2.772
20 HB3 HIS 4 1HB HIS 4 -2.288 1.748 -2.725
21 HD1 HIS 4 1HD HIS 4 -0.674 1.067 -5.270
22 HD2 HIS 4 2HD HIS 4 0.586 3.670 -2.295
23 HE1 HIS 4 1HE HIS 4 0.984 2.636 -6.369
24 H ARG 5 H ARG 5 -2.723 3.031 -0.092
25 HA ARG 5 HA ARG 5 -3.491 1.123 1.886
26 HB2 ARG 5 2HB ARG 5 -4.420 3.933 1.426
27 HB3 ARG 5 1HB ARG 5 -5.001 2.906 2.732
28 HG2 ARG 5 2HG ARG 5 -2.699 2.723 3.575
29 HG3 ARG 5 1HG ARG 5 -2.165 3.795 2.284
30 HD2 ARG 5 2HD ARG 5 -2.453 4.996 4.383
31 HD3 ARG 5 1HD ARG 5 -3.581 5.574 3.161
32 HE ARG 5 HE ARG 5 -5.206 4.004 4.305
33 HH11 ARG 5 1HH1 ARG 5 -2.600 5.642 6.079
34 HH12 ARG 5 2HH1 ARG 5 -3.476 5.720 7.531
35 HH21 ARG 5 1HH2 ARG 5 -6.370 4.133 6.289
36 HH22 ARG 5 2HH2 ARG 5 -5.680 4.860 7.669
37 H SER 6 H SER 6 -4.307 -0.434 0.587
38 HA SER 6 HA SER 6 -7.149 -0.041 -0.003
39 HB2 SER 6 2HB SER 6 -6.838 -2.223 -1.321
40 HB3 SER 6 1HB SER 6 -6.029 -0.814 -2.006
41 HG SER 6 HG SER 6 -4.970 -3.082 -0.759
42 H TYR 7 H TYR 7 -8.049 -2.656 0.412
43 HA TYR 7 HA TYR 7 -6.752 -3.555 2.843
44 HB2 TYR 7 2HB TYR 7 -8.581 -1.881 3.431
45 HB3 TYR 7 1HB TYR 7 -9.728 -3.068 2.816
46 HD1 TYR 7 1HD TYR 7 -7.140 -2.463 5.372
47 HD2 TYR 7 2HD TYR 7 -10.396 -4.909 4.157
48 HE1 TYR 7 1HE TYR 7 -7.123 -3.551 7.553
49 HE2 TYR 7 2HE TYR 7 -10.393 -6.003 6.339
50 HH TYR 7 HH TYR 7 -8.708 -6.418 8.154
51 HA PRO 8 HA PRO 8 -5.762 -5.392 3.357
52 HB2 PRO 8 2HB PRO 8 -4.543 -7.189 1.344
53 HB3 PRO 8 1HB PRO 8 -4.609 -7.366 3.099
54 HG2 PRO 8 2HG PRO 8 -6.100 -8.914 1.545
55 HG3 PRO 8 1HG PRO 8 -6.759 -8.257 3.057
56 HD2 PRO 8 2HD PRO 8 -7.160 -7.286 0.247
57 HD3 PRO 8 1HD PRO 8 -8.367 -7.550 1.524
58 HA PRO 9 HA PRO 9 -3.737 -2.336 0.872
59 HB2 PRO 9 2HB PRO 9 -1.473 -2.026 2.352
60 HB3 PRO 9 1HB PRO 9 -3.040 -1.354 2.818
61 HG2 PRO 9 2HG PRO 9 -1.687 -3.844 3.766
62 HG3 PRO 9 1HG PRO 9 -2.585 -2.629 4.695
63 HD2 PRO 9 2HD PRO 9 -3.669 -4.997 3.977
64 HD3 PRO 9 1HD PRO 9 -4.628 -3.510 4.118
65 H GLU 10 H GLU 10 -2.606 -2.501 -0.895
66 HA GLU 10 HA GLU 10 -0.911 -4.778 -1.354
67 HB2 GLU 10 2HB GLU 10 -2.485 -3.997 -3.086
68 HB3 GLU 10 1HB GLU 10 -1.669 -2.445 -3.114
69 HG2 GLU 10 2HG GLU 10 0.216 -3.318 -4.163
70 HG3 GLU 10 1HG GLU 10 -0.217 -4.983 -3.781
71 H CYS 11 H CYS 11 1.155 -4.715 -0.773
72 HA CYS 11 HA CYS 11 2.438 -2.105 -0.732
73 HB2 CYS 11 2HB CYS 11 1.737 -2.813 1.557
74 HB3 CYS 11 1HB CYS 11 2.742 -4.243 1.380
75 H TRP 12 H TRP 12 4.724 -2.170 -0.837
76 HA TRP 12 HA TRP 12 5.744 -4.528 -2.209
77 HB2 TRP 12 2HB TRP 12 6.365 -1.588 -2.623
78 HB3 TRP 12 1HB TRP 12 7.300 -2.893 -3.342
79 HD1 TRP 12 HD TRP 12 6.361 -3.968 -5.544
80 HE1 TRP 12 1HE TRP 12 4.308 -3.537 -7.022
81 HE3 TRP 12 3HE TRP 12 3.776 -0.788 -2.477
82 HZ2 TRP 12 2HZ TRP 12 1.927 -2.068 -6.919
83 HZ3 TRP 12 3HZ TRP 12 1.613 0.077 -3.256
84 HH2 TRP 12 HH TRP 12 0.717 -0.547 -5.425
85 HA PRO 13 HA PRO 13 8.567 -4.859 1.261
86 HB2 PRO 13 2HB PRO 13 10.513 -5.900 -0.724
87 HB3 PRO 13 1HB PRO 13 9.909 -6.652 0.755
88 HG2 PRO 13 2HG PRO 13 9.066 -7.511 -1.606
89 HG3 PRO 13 1HG PRO 13 7.935 -7.355 -0.251
90 HD2 PRO 13 2HD PRO 13 8.347 -5.539 -2.591
91 HD3 PRO 13 1HD PRO 13 6.836 -6.101 -1.845
92 H ASN 14 H ASN 14 9.107 -2.844 -1.307
93 HA ASN 14 HA ASN 14 11.676 -1.794 -0.674
94 HB2 ASN 14 2HB ASN 14 10.641 -1.384 -2.856
95 HB3 ASN 14 1HB ASN 14 9.329 -0.500 -2.087
96 HD21 ASN 14 1HD2 ASN 14 12.645 -0.395 -3.103
97 HD22 ASN 14 2HD2 ASN 14 12.865 1.288 -2.827
Start of MODEL 8
1 H1 GLY 1 H GLY 1 8.417 -1.357 0.173
2 HA2 GLY 1 2HA GLY 1 8.307 -0.799 2.460
3 HA3 GLY 1 1HA GLY 1 9.442 0.524 2.158
4 H PHE 2 H PHE 2 6.515 -0.395 0.459
5 HA PHE 2 HA PHE 2 5.312 2.123 1.246
6 HB2 PHE 2 2HB PHE 2 6.448 2.428 -0.973
7 HB3 PHE 2 1HB PHE 2 5.449 1.132 -1.617
8 HD1 PHE 2 1HD PHE 2 5.560 4.597 -0.573
9 HD2 PHE 2 2HD PHE 2 3.042 1.487 -1.973
10 HE1 PHE 2 1HE PHE 2 3.829 6.247 -1.106
11 HE2 PHE 2 2HE PHE 2 1.296 3.127 -2.515
12 HZ PHE 2 HZ PHE 2 1.683 5.514 -2.079
13 H CYS 3 H CYS 3 3.251 1.852 1.705
14 HA CYS 3 HA CYS 3 1.993 -0.679 0.947
15 HB2 CYS 3 2HB CYS 3 1.542 1.028 3.394
16 HB3 CYS 3 1HB CYS 3 0.534 -0.341 2.946
17 H HIS 4 H HIS 4 0.541 -0.485 -0.499
18 HA HIS 4 HA HIS 4 -0.601 1.991 -1.302
19 HB2 HIS 4 2HB HIS 4 -0.267 0.058 -2.837
20 HB3 HIS 4 1HB HIS 4 -1.460 -0.848 -1.920
21 HD1 HIS 4 1HD HIS 4 -3.861 -0.616 -2.691
22 HD2 HIS 4 2HD HIS 4 -1.386 2.415 -4.085
23 HE1 HIS 4 1HE HIS 4 -5.244 0.712 -4.338
24 H ARG 5 H ARG 5 -2.486 2.891 -0.644
25 HA ARG 5 HA ARG 5 -3.713 1.699 1.660
26 HB2 ARG 5 2HB ARG 5 -4.448 4.273 0.264
27 HB3 ARG 5 1HB ARG 5 -5.012 3.756 1.844
28 HG2 ARG 5 2HG ARG 5 -2.185 4.462 1.085
29 HG3 ARG 5 1HG ARG 5 -3.284 5.404 2.088
30 HD2 ARG 5 2HD ARG 5 -3.245 3.689 3.799
31 HD3 ARG 5 1HD ARG 5 -2.257 2.648 2.769
32 HE ARG 5 HE ARG 5 -1.159 5.243 3.262
33 HH11 ARG 5 1HH1 ARG 5 -1.341 1.957 4.598
34 HH12 ARG 5 2HH1 ARG 5 0.203 2.043 5.320
35 HH21 ARG 5 1HH2 ARG 5 0.943 5.297 4.243
36 HH22 ARG 5 2HH2 ARG 5 1.527 3.939 5.096
37 H SER 6 H SER 6 -4.595 -0.080 0.883
38 HA SER 6 HA SER 6 -7.214 0.264 -0.284
39 HB2 SER 6 2HB SER 6 -6.746 -1.789 -1.726
40 HB3 SER 6 1HB SER 6 -5.951 -0.304 -2.243
41 HG SER 6 HG SER 6 -4.838 -2.549 -0.916
42 H TYR 7 H TYR 7 -8.196 -2.154 -0.171
43 HA TYR 7 HA TYR 7 -7.184 -3.369 2.261
44 HB2 TYR 7 2HB TYR 7 -9.290 -2.159 2.774
45 HB3 TYR 7 1HB TYR 7 -10.113 -3.072 1.514
46 HD1 TYR 7 1HD TYR 7 -10.895 -5.302 1.920
47 HD2 TYR 7 2HD TYR 7 -8.463 -3.332 4.794
48 HE1 TYR 7 1HE TYR 7 -11.363 -7.086 3.526
49 HE2 TYR 7 2HE TYR 7 -8.928 -5.108 6.409
50 HH TYR 7 HH TYR 7 -10.653 -6.793 6.819
51 HA PRO 8 HA PRO 8 -6.305 -5.045 2.881
52 HB2 PRO 8 2HB PRO 8 -4.364 -6.785 1.546
53 HB3 PRO 8 1HB PRO 8 -5.250 -7.065 3.046
54 HG2 PRO 8 2HG PRO 8 -5.778 -8.474 0.819
55 HG3 PRO 8 1HG PRO 8 -7.056 -8.012 1.957
56 HD2 PRO 8 2HD PRO 8 -6.267 -6.692 -0.622
57 HD3 PRO 8 1HD PRO 8 -7.888 -7.152 -0.052
58 HA PRO 9 HA PRO 9 -3.329 -2.131 1.313
59 HB2 PRO 9 2HB PRO 9 -1.505 -2.098 3.342
60 HB3 PRO 9 1HB PRO 9 -3.082 -1.311 3.454
61 HG2 PRO 9 2HG PRO 9 -2.182 -3.922 4.575
62 HG3 PRO 9 1HG PRO 9 -3.266 -2.713 5.282
63 HD2 PRO 9 2HD PRO 9 -4.121 -5.022 4.076
64 HD3 PRO 9 1HD PRO 9 -5.097 -3.543 4.185
65 H GLU 10 H GLU 10 -2.184 -2.750 -0.353
66 HA GLU 10 HA GLU 10 -0.448 -5.004 -0.256
67 HB2 GLU 10 2HB GLU 10 -1.183 -3.058 -2.409
68 HB3 GLU 10 1HB GLU 10 0.151 -4.181 -2.628
69 HG2 GLU 10 2HG GLU 10 -2.668 -4.979 -1.953
70 HG3 GLU 10 1HG GLU 10 -1.963 -5.002 -3.573
71 H CYS 11 H CYS 11 1.366 -4.873 0.742
72 HA CYS 11 HA CYS 11 2.940 -2.420 0.533
73 HB2 CYS 11 2HB CYS 11 3.201 -4.702 2.508
74 HB3 CYS 11 1HB CYS 11 4.117 -3.203 2.516
75 H TRP 12 H TRP 12 4.561 -2.503 -0.790
76 HA TRP 12 HA TRP 12 5.622 -5.120 -1.439
77 HB2 TRP 12 2HB TRP 12 6.531 -3.909 -3.566
78 HB3 TRP 12 1HB TRP 12 4.833 -4.333 -3.492
79 HD1 TRP 12 HD TRP 12 7.156 -1.285 -3.324
80 HE1 TRP 12 1HE TRP 12 5.767 0.818 -3.941
81 HE3 TRP 12 3HE TRP 12 2.528 -3.402 -3.541
82 HZ2 TRP 12 2HZ TRP 12 3.085 1.457 -4.466
83 HZ3 TRP 12 3HZ TRP 12 0.605 -1.986 -4.118
84 HH2 TRP 12 HH TRP 12 0.890 0.400 -4.573
85 HA PRO 13 HA PRO 13 9.516 -4.722 0.375
86 HB2 PRO 13 2HB PRO 13 10.859 -4.922 -2.269
87 HB3 PRO 13 1HB PRO 13 11.112 -5.873 -0.802
88 HG2 PRO 13 2HG PRO 13 9.751 -6.921 -2.793
89 HG3 PRO 13 1HG PRO 13 9.176 -7.126 -1.127
90 HD2 PRO 13 2HD PRO 13 8.193 -5.276 -3.252
91 HD3 PRO 13 1HD PRO 13 7.269 -6.252 -2.089
92 H ASN 14 H ASN 14 8.912 -2.453 -2.122
93 HA ASN 14 HA ASN 14 11.118 -0.712 -1.889
94 HB2 ASN 14 2HB ASN 14 9.280 -0.407 -3.570
95 HB3 ASN 14 1HB ASN 14 8.208 0.040 -2.249
96 HD21 ASN 14 1HD2 ASN 14 10.843 1.063 -4.240
97 HD22 ASN 14 2HD2 ASN 14 10.809 2.721 -3.754
Start of MODEL 9
1 H1 GLY 1 H GLY 1 8.648 -1.201 0.032
2 HA2 GLY 1 2HA GLY 1 8.308 -0.282 2.174
3 HA3 GLY 1 1HA GLY 1 9.429 1.023 1.768
4 H PHE 2 H PHE 2 6.298 -0.356 0.969
5 HA PHE 2 HA PHE 2 5.058 2.184 0.854
6 HB2 PHE 2 2HB PHE 2 6.300 2.157 -1.357
7 HB3 PHE 2 1HB PHE 2 5.339 0.760 -1.809
8 HD1 PHE 2 1HD PHE 2 2.930 1.012 -2.272
9 HD2 PHE 2 2HD PHE 2 5.381 4.361 -1.359
10 HE1 PHE 2 1HE PHE 2 1.193 2.517 -3.154
11 HE2 PHE 2 2HE PHE 2 3.651 5.874 -2.234
12 HZ PHE 2 HZ PHE 2 1.549 4.948 -3.132
13 H CYS 3 H CYS 3 3.281 1.548 1.882
14 HA CYS 3 HA CYS 3 1.906 -0.846 0.946
15 HB2 CYS 3 2HB CYS 3 1.595 0.739 3.511
16 HB3 CYS 3 1HB CYS 3 0.549 -0.597 3.043
17 H HIS 4 H HIS 4 0.387 -0.531 -0.418
18 HA HIS 4 HA HIS 4 -0.597 2.049 -1.110
19 HB2 HIS 4 2HB HIS 4 -0.416 0.235 -2.775
20 HB3 HIS 4 1HB HIS 4 -1.606 -0.708 -1.890
21 HD1 HIS 4 1HD HIS 4 -3.901 -0.534 -2.851
22 HD2 HIS 4 2HD HIS 4 -1.596 2.822 -3.663
23 HE1 HIS 4 1HE HIS 4 -5.325 0.948 -4.326
24 H ARG 5 H ARG 5 -2.477 3.022 -0.538
25 HA ARG 5 HA ARG 5 -3.739 2.093 1.843
26 HB2 ARG 5 2HB ARG 5 -3.328 4.503 1.371
27 HB3 ARG 5 1HB ARG 5 -4.513 4.432 0.081
28 HG2 ARG 5 2HG ARG 5 -5.570 5.406 1.977
29 HG3 ARG 5 1HG ARG 5 -6.213 3.773 1.808
30 HD2 ARG 5 2HD ARG 5 -5.729 4.210 4.132
31 HD3 ARG 5 1HD ARG 5 -4.611 2.995 3.523
32 HE ARG 5 HE ARG 5 -3.890 5.837 3.736
33 HH11 ARG 5 1HH1 ARG 5 -3.067 2.433 4.326
34 HH12 ARG 5 2HH1 ARG 5 -1.585 2.776 5.071
35 HH21 ARG 5 1HH2 ARG 5 -1.840 6.295 4.771
36 HH22 ARG 5 2HH2 ARG 5 -0.859 5.022 5.323
37 H SER 6 H SER 6 -4.573 0.141 1.163
38 HA SER 6 HA SER 6 -7.207 0.351 0.005
39 HB2 SER 6 2HB SER 6 -6.678 -1.749 -1.376
40 HB3 SER 6 1HB SER 6 -5.997 -0.230 -1.959
41 HG SER 6 HG SER 6 -4.663 -2.354 -1.629
42 H TYR 7 H TYR 7 -8.204 -2.032 0.178
43 HA TYR 7 HA TYR 7 -7.051 -3.482 2.365
44 HB2 TYR 7 2HB TYR 7 -8.705 -2.046 3.487
45 HB3 TYR 7 1HB TYR 7 -9.956 -2.612 2.383
46 HD1 TYR 7 1HD TYR 7 -7.405 -4.031 4.703
47 HD2 TYR 7 2HD TYR 7 -11.348 -4.318 3.153
48 HE1 TYR 7 1HE TYR 7 -7.841 -5.903 6.198
49 HE2 TYR 7 2HE TYR 7 -11.803 -6.198 4.653
50 HH TYR 7 HH TYR 7 -9.737 -6.973 7.238
51 HA PRO 8 HA PRO 8 -6.391 -5.385 2.741
52 HB2 PRO 8 2HB PRO 8 -5.083 -7.070 0.721
53 HB3 PRO 8 1HB PRO 8 -5.503 -7.455 2.391
54 HG2 PRO 8 2HG PRO 8 -6.830 -8.558 0.352
55 HG3 PRO 8 1HG PRO 8 -7.664 -8.079 1.841
56 HD2 PRO 8 2HD PRO 8 -7.504 -6.624 -0.775
57 HD3 PRO 8 1HD PRO 8 -8.924 -6.928 0.251
58 HA PRO 9 HA PRO 9 -3.697 -2.461 0.673
59 HB2 PRO 9 2HB PRO 9 -1.891 -2.128 2.656
60 HB3 PRO 9 1HB PRO 9 -3.511 -1.425 2.715
61 HG2 PRO 9 2HG PRO 9 -2.450 -3.861 4.057
62 HG3 PRO 9 1HG PRO 9 -3.561 -2.633 4.691
63 HD2 PRO 9 2HD PRO 9 -4.334 -5.083 3.726
64 HD3 PRO 9 1HD PRO 9 -5.385 -3.651 3.761
65 H GLU 10 H GLU 10 -1.893 -2.626 -0.528
66 HA GLU 10 HA GLU 10 -0.391 -5.119 -0.289
67 HB2 GLU 10 2HB GLU 10 -0.686 -3.202 -2.575
68 HB3 GLU 10 1HB GLU 10 0.456 -4.534 -2.574
69 HG2 GLU 10 2HG GLU 10 -1.426 -6.088 -2.273
70 HG3 GLU 10 1HG GLU 10 -2.534 -4.722 -2.399
71 H CYS 11 H CYS 11 1.628 -5.119 0.345
72 HA CYS 11 HA CYS 11 3.005 -2.544 0.507
73 HB2 CYS 11 2HB CYS 11 3.264 -4.967 2.300
74 HB3 CYS 11 1HB CYS 11 4.202 -3.491 2.443
75 H TRP 12 H TRP 12 4.814 -2.403 -0.613
76 HA TRP 12 HA TRP 12 5.922 -4.880 -1.699
77 HB2 TRP 12 2HB TRP 12 6.093 -2.041 -2.729
78 HB3 TRP 12 1HB TRP 12 6.990 -3.388 -3.416
79 HD1 TRP 12 HD TRP 12 5.583 -5.225 -4.803
80 HE1 TRP 12 1HE TRP 12 3.285 -5.095 -5.965
81 HE3 TRP 12 3HE TRP 12 3.761 -1.032 -2.528
82 HZ2 TRP 12 2HZ TRP 12 1.009 -3.433 -5.917
83 HZ3 TRP 12 3HZ TRP 12 1.516 -0.239 -3.147
84 HH2 TRP 12 HH TRP 12 0.173 -1.417 -4.802
85 HA PRO 13 HA PRO 13 9.583 -4.722 0.788
86 HB2 PRO 13 2HB PRO 13 11.046 -5.087 -1.786
87 HB3 PRO 13 1HB PRO 13 11.198 -5.981 -0.271
88 HG2 PRO 13 2HG PRO 13 9.877 -7.058 -2.278
89 HG3 PRO 13 1HG PRO 13 9.233 -7.182 -0.629
90 HD2 PRO 13 2HD PRO 13 8.349 -5.416 -2.878
91 HD3 PRO 13 1HD PRO 13 7.391 -6.259 -1.644
92 H ASN 14 H ASN 14 9.409 -2.635 -1.978
93 HA ASN 14 HA ASN 14 11.701 -1.028 -1.551
94 HB2 ASN 14 2HB ASN 14 10.416 -0.929 -3.652
95 HB3 ASN 14 1HB ASN 14 9.022 -0.307 -2.785
96 HD21 ASN 14 1HD2 ASN 14 8.924 1.533 -4.047
97 HD22 ASN 14 2HD2 ASN 14 10.066 2.814 -3.938
Start of MODEL 10
1 H1 GLY 1 H GLY 1 8.649 -1.021 0.186
2 HA2 GLY 1 2HA GLY 1 8.899 0.208 2.274
3 HA3 GLY 1 1HA GLY 1 9.686 1.478 1.351
4 H PHE 2 H PHE 2 7.276 0.603 -0.645
5 HA PHE 2 HA PHE 2 5.487 2.587 0.557
6 HB2 PHE 2 2HB PHE 2 6.478 3.121 -1.712
7 HB3 PHE 2 1HB PHE 2 5.585 1.748 -2.352
8 HD1 PHE 2 1HD PHE 2 3.276 1.986 -2.990
9 HD2 PHE 2 2HD PHE 2 5.202 5.026 -0.687
10 HE1 PHE 2 1HE PHE 2 1.367 3.482 -3.335
11 HE2 PHE 2 2HE PHE 2 3.278 6.501 -1.029
12 HZ PHE 2 HZ PHE 2 1.357 5.732 -2.354
13 H CYS 3 H CYS 3 3.363 2.124 0.814
14 HA CYS 3 HA CYS 3 2.505 -0.610 0.207
15 HB2 CYS 3 2HB CYS 3 1.785 0.924 2.701
16 HB3 CYS 3 1HB CYS 3 1.503 -0.781 2.378
17 H HIS 4 H HIS 4 0.119 -0.719 0.027
18 HA HIS 4 HA HIS 4 -1.024 1.866 -0.702
19 HB2 HIS 4 2HB HIS 4 -1.612 -0.945 -1.547
20 HB3 HIS 4 1HB HIS 4 -2.870 0.286 -1.699
21 HD1 HIS 4 1HD HIS 4 -2.264 -0.744 -4.345
22 HD2 HIS 4 2HD HIS 4 0.262 2.033 -2.555
23 HE1 HIS 4 1HE HIS 4 -1.000 0.331 -6.223
24 H ARG 5 H ARG 5 -2.976 2.542 0.145
25 HA ARG 5 HA ARG 5 -3.623 1.299 2.719
26 HB2 ARG 5 2HB ARG 5 -4.223 4.087 1.704
27 HB3 ARG 5 1HB ARG 5 -4.650 3.479 3.293
28 HG2 ARG 5 2HG ARG 5 -2.289 3.184 3.813
29 HG3 ARG 5 1HG ARG 5 -1.860 3.817 2.223
30 HD2 ARG 5 2HD ARG 5 -3.033 5.932 2.836
31 HD3 ARG 5 1HD ARG 5 -3.268 5.269 4.456
32 HE ARG 5 HE ARG 5 -0.569 5.094 3.806
33 HH11 ARG 5 1HH1 ARG 5 -2.961 7.595 4.586
34 HH12 ARG 5 2HH1 ARG 5 -1.808 8.722 5.119
35 HH21 ARG 5 1HH2 ARG 5 1.019 6.659 4.536
36 HH22 ARG 5 2HH2 ARG 5 0.507 8.183 5.076
37 H SER 6 H SER 6 -4.556 0.524 0.007
38 HA SER 6 HA SER 6 -7.397 0.905 0.139
39 HB2 SER 6 2HB SER 6 -7.014 -0.765 -1.891
40 HB3 SER 6 1HB SER 6 -6.638 0.957 -2.058
41 HG SER 6 HG SER 6 -5.036 -1.022 -2.446
42 H TYR 7 H TYR 7 -8.311 -1.677 -0.564
43 HA TYR 7 HA TYR 7 -7.196 -3.335 1.549
44 HB2 TYR 7 2HB TYR 7 -9.214 -2.305 2.468
45 HB3 TYR 7 1HB TYR 7 -10.155 -2.887 1.104
46 HD1 TYR 7 1HD TYR 7 -11.062 -5.098 1.113
47 HD2 TYR 7 2HD TYR 7 -8.234 -3.961 4.071
48 HE1 TYR 7 1HE TYR 7 -11.542 -7.143 2.344
49 HE2 TYR 7 2HE TYR 7 -8.701 -6.006 5.311
50 HH TYR 7 HH TYR 7 -10.398 -8.593 4.017
51 HA PRO 8 HA PRO 8 -6.873 -5.284 2.167
52 HB2 PRO 8 2HB PRO 8 -4.933 -7.043 0.845
53 HB3 PRO 8 1HB PRO 8 -6.049 -7.410 2.164
54 HG2 PRO 8 2HG PRO 8 -6.390 -8.423 -0.297
55 HG3 PRO 8 1HG PRO 8 -7.764 -7.979 0.734
56 HD2 PRO 8 2HD PRO 8 -6.526 -6.445 -1.530
57 HD3 PRO 8 1HD PRO 8 -8.246 -6.745 -1.173
58 HA PRO 9 HA PRO 9 -3.567 -2.432 1.383
59 HB2 PRO 9 2HB PRO 9 -2.393 -2.432 3.836
60 HB3 PRO 9 1HB PRO 9 -3.920 -1.603 3.501
61 HG2 PRO 9 2HG PRO 9 -3.438 -4.229 4.830
62 HG3 PRO 9 1HG PRO 9 -4.640 -2.985 5.209
63 HD2 PRO 9 2HD PRO 9 -5.196 -5.278 3.811
64 HD3 PRO 9 1HD PRO 9 -6.116 -3.773 3.658
65 H GLU 10 H GLU 10 -2.380 -3.592 -0.056
66 HA GLU 10 HA GLU 10 -0.459 -5.480 0.980
67 HB2 GLU 10 2HB GLU 10 0.098 -5.902 -1.421
68 HB3 GLU 10 1HB GLU 10 -1.571 -6.229 -0.998
69 HG2 GLU 10 2HG GLU 10 -2.161 -3.999 -1.970
70 HG3 GLU 10 1HG GLU 10 -0.495 -3.884 -2.540
71 H CYS 11 H CYS 11 1.762 -5.265 0.724
72 HA CYS 11 HA CYS 11 2.678 -2.603 0.055
73 HB2 CYS 11 2HB CYS 11 2.336 -2.743 2.535
74 HB3 CYS 11 1HB CYS 11 3.486 -4.074 2.574
75 H TRP 12 H TRP 12 4.923 -2.556 -0.465
76 HA TRP 12 HA TRP 12 5.850 -5.161 -1.415
77 HB2 TRP 12 2HB TRP 12 6.209 -2.420 -2.680
78 HB3 TRP 12 1HB TRP 12 6.914 -3.909 -3.294
79 HD1 TRP 12 HD TRP 12 5.396 -5.426 -4.800
80 HE1 TRP 12 1HE TRP 12 2.971 -5.222 -5.682
81 HE3 TRP 12 3HE TRP 12 3.824 -1.446 -2.000
82 HZ2 TRP 12 2HZ TRP 12 0.711 -3.590 -5.223
83 HZ3 TRP 12 3HZ TRP 12 1.528 -0.643 -2.289
84 HH2 TRP 12 HH TRP 12 0.018 -1.700 -3.872
85 HA PRO 13 HA PRO 13 9.527 -4.418 0.938
86 HB2 PRO 13 2HB PRO 13 11.219 -5.516 -1.195
87 HB3 PRO 13 1HB PRO 13 10.874 -6.178 0.403
88 HG2 PRO 13 2HG PRO 13 9.894 -7.306 -1.822
89 HG3 PRO 13 1HG PRO 13 8.966 -7.266 -0.311
90 HD2 PRO 13 2HD PRO 13 8.731 -5.500 -2.722
91 HD3 PRO 13 1HD PRO 13 7.450 -6.288 -1.771
92 H ASN 14 H ASN 14 8.814 -2.430 -1.362
93 HA ASN 14 HA ASN 14 11.450 -1.236 -1.735
94 HB2 ASN 14 2HB ASN 14 10.416 0.266 -3.341
95 HB3 ASN 14 1HB ASN 14 9.938 -1.377 -3.714
96 HD21 ASN 14 1HD2 ASN 14 8.730 1.128 -4.429
97 HD22 ASN 14 2HD2 ASN 14 7.098 1.092 -3.876
Start of MODEL 11
1 H1 GLY 1 H GLY 1 8.641 -1.437 0.272
2 HA2 GLY 1 2HA GLY 1 8.557 -0.321 2.340
3 HA3 GLY 1 1HA GLY 1 9.686 0.872 1.714
4 H PHE 2 H PHE 2 6.648 -0.305 0.340
5 HA PHE 2 HA PHE 2 5.481 2.314 0.773
6 HB2 PHE 2 2HB PHE 2 6.608 2.432 -1.447
7 HB3 PHE 2 1HB PHE 2 5.677 1.039 -1.972
8 HD1 PHE 2 1HD PHE 2 5.208 4.492 -0.634
9 HD2 PHE 2 2HD PHE 2 3.696 1.385 -3.110
10 HE1 PHE 2 1HE PHE 2 3.438 5.994 -1.430
11 HE2 PHE 2 2HE PHE 2 1.913 2.882 -3.904
12 HZ PHE 2 HZ PHE 2 1.783 5.193 -3.063
13 H CYS 3 H CYS 3 3.392 2.159 1.261
14 HA CYS 3 HA CYS 3 2.057 -0.371 0.739
15 HB2 CYS 3 2HB CYS 3 1.923 1.375 3.186
16 HB3 CYS 3 1HB CYS 3 0.724 0.141 2.819
17 H HIS 4 H HIS 4 0.449 -0.230 -0.474
18 HA HIS 4 HA HIS 4 -0.841 2.266 -1.114
19 HB2 HIS 4 2HB HIS 4 -0.369 0.496 -2.831
20 HB3 HIS 4 1HB HIS 4 -1.435 -0.581 -1.942
21 HD1 HIS 4 1HD HIS 4 -3.949 -0.400 -2.427
22 HD2 HIS 4 2HD HIS 4 -1.668 2.599 -4.182
23 HE1 HIS 4 1HE HIS 4 -5.482 0.786 -4.031
24 H ARG 5 H ARG 5 -2.538 2.936 0.114
25 HA ARG 5 HA ARG 5 -3.594 1.119 2.073
26 HB2 ARG 5 2HB ARG 5 -4.217 4.023 1.584
27 HB3 ARG 5 1HB ARG 5 -5.052 3.050 2.784
28 HG2 ARG 5 2HG ARG 5 -2.108 3.686 2.724
29 HG3 ARG 5 1HG ARG 5 -3.311 4.330 3.845
30 HD2 ARG 5 2HD ARG 5 -2.394 1.454 3.624
31 HD3 ARG 5 1HD ARG 5 -2.064 2.573 4.928
32 HE ARG 5 HE ARG 5 -4.795 2.461 4.802
33 HH11 ARG 5 1HH1 ARG 5 -2.200 0.060 5.288
34 HH12 ARG 5 2HH1 ARG 5 -3.163 -0.932 6.271
35 HH21 ARG 5 1HH2 ARG 5 -6.080 1.012 6.164
36 HH22 ARG 5 2HH2 ARG 5 -5.365 -0.422 6.761
37 H SER 6 H SER 6 -4.642 -0.382 1.207
38 HA SER 6 HA SER 6 -7.237 0.223 0.083
39 HB2 SER 6 2HB SER 6 -6.729 -1.746 -1.486
40 HB3 SER 6 1HB SER 6 -5.978 -0.195 -1.882
41 HG SER 6 HG SER 6 -4.842 -2.572 -0.910
42 H TYR 7 H TYR 7 -8.094 -2.357 -0.204
43 HA TYR 7 HA TYR 7 -7.362 -3.699 2.256
44 HB2 TYR 7 2HB TYR 7 -9.443 -2.517 2.723
45 HB3 TYR 7 1HB TYR 7 -10.177 -3.174 1.268
46 HD1 TYR 7 1HD TYR 7 -8.607 -4.313 4.472
47 HD2 TYR 7 2HD TYR 7 -11.519 -5.039 1.454
48 HE1 TYR 7 1HE TYR 7 -9.466 -6.203 5.759
49 HE2 TYR 7 2HE TYR 7 -12.382 -6.927 2.733
50 HH TYR 7 HH TYR 7 -11.527 -7.492 5.970
51 HA PRO 8 HA PRO 8 -6.244 -5.274 2.671
52 HB2 PRO 8 2HB PRO 8 -4.162 -6.775 1.847
53 HB3 PRO 8 1HB PRO 8 -5.635 -7.513 2.469
54 HG2 PRO 8 2HG PRO 8 -4.785 -7.105 -0.371
55 HG3 PRO 8 1HG PRO 8 -5.497 -8.541 0.387
56 HD2 PRO 8 2HD PRO 8 -6.959 -6.802 -1.083
57 HD3 PRO 8 1HD PRO 8 -7.632 -7.692 0.295
58 HA PRO 9 HA PRO 9 -3.552 -2.070 1.084
59 HB2 PRO 9 2HB PRO 9 -1.653 -2.047 3.056
60 HB3 PRO 9 1HB PRO 9 -3.244 -1.301 3.235
61 HG2 PRO 9 2HG PRO 9 -2.269 -3.945 4.223
62 HG3 PRO 9 1HG PRO 9 -3.315 -2.764 5.031
63 HD2 PRO 9 2HD PRO 9 -4.276 -5.002 3.838
64 HD3 PRO 9 1HD PRO 9 -5.198 -3.487 3.913
65 H GLU 10 H GLU 10 -2.246 -2.393 -0.573
66 HA GLU 10 HA GLU 10 -0.558 -4.716 -0.753
67 HB2 GLU 10 2HB GLU 10 -0.840 -2.337 -2.608
68 HB3 GLU 10 1HB GLU 10 0.117 -3.760 -2.947
69 HG2 GLU 10 2HG GLU 10 -2.866 -3.701 -2.567
70 HG3 GLU 10 1HG GLU 10 -2.016 -3.810 -4.108
71 H CYS 11 H CYS 11 1.243 -4.742 0.404
72 HA CYS 11 HA CYS 11 2.844 -2.293 0.488
73 HB2 CYS 11 2HB CYS 11 2.712 -4.590 2.426
74 HB3 CYS 11 1HB CYS 11 3.915 -3.310 2.495
75 H TRP 12 H TRP 12 4.593 -2.347 -0.618
76 HA TRP 12 HA TRP 12 5.596 -4.954 -1.498
77 HB2 TRP 12 2HB TRP 12 6.068 -2.188 -2.635
78 HB3 TRP 12 1HB TRP 12 6.759 -3.679 -3.270
79 HD1 TRP 12 HD TRP 12 5.043 -5.388 -4.503
80 HE1 TRP 12 1HE TRP 12 2.782 -4.966 -5.667
81 HE3 TRP 12 3HE TRP 12 3.989 -0.779 -2.571
82 HZ2 TRP 12 2HZ TRP 12 0.820 -2.924 -5.754
83 HZ3 TRP 12 3HZ TRP 12 1.897 0.337 -3.252
84 HH2 TRP 12 HH TRP 12 0.359 -0.723 -4.809
85 HA PRO 13 HA PRO 13 9.188 -4.626 1.087
86 HB2 PRO 13 2HB PRO 13 11.100 -5.740 -0.535
87 HB3 PRO 13 1HB PRO 13 9.893 -6.673 0.352
88 HG2 PRO 13 2HG PRO 13 9.839 -5.759 -2.498
89 HG3 PRO 13 1HG PRO 13 9.454 -7.361 -1.840
90 HD2 PRO 13 2HD PRO 13 7.501 -5.678 -2.488
91 HD3 PRO 13 1HD PRO 13 7.392 -6.648 -1.004
92 H ASN 14 H ASN 14 8.868 -2.861 -1.665
93 HA ASN 14 HA ASN 14 11.361 -1.455 -1.753
94 HB2 ASN 14 2HB ASN 14 9.974 -1.515 -3.734
95 HB3 ASN 14 1HB ASN 14 8.604 -0.864 -2.848
96 HD21 ASN 14 1HD2 ASN 14 8.391 1.338 -2.678
97 HD22 ASN 14 2HD2 ASN 14 9.463 2.473 -3.377
Start of MODEL 12
1 H1 GLY 1 H GLY 1 8.631 -1.138 -0.100
2 HA2 GLY 1 2HA GLY 1 8.977 -0.291 2.133
3 HA3 GLY 1 1HA GLY 1 9.926 1.006 1.435
4 H PHE 2 H PHE 2 6.716 -0.181 0.401
5 HA PHE 2 HA PHE 2 5.433 1.985 1.685
6 HB2 PHE 2 2HB PHE 2 4.603 3.160 -0.242
7 HB3 PHE 2 1HB PHE 2 6.355 3.137 -0.346
8 HD1 PHE 2 1HD PHE 2 3.292 2.498 -2.010
9 HD2 PHE 2 2HD PHE 2 7.390 1.361 -1.930
10 HE1 PHE 2 1HE PHE 2 3.092 1.637 -4.295
11 HE2 PHE 2 2HE PHE 2 7.191 0.494 -4.224
12 HZ PHE 2 HZ PHE 2 5.044 0.633 -5.406
13 H CYS 3 H CYS 3 3.105 1.928 1.290
14 HA CYS 3 HA CYS 3 2.146 -0.670 0.381
15 HB2 CYS 3 2HB CYS 3 1.309 0.748 2.927
16 HB3 CYS 3 1HB CYS 3 0.675 -0.777 2.330
17 H HIS 4 H HIS 4 -0.089 -0.547 -0.281
18 HA HIS 4 HA HIS 4 -0.840 2.192 -0.952
19 HB2 HIS 4 2HB HIS 4 -0.738 0.486 -2.822
20 HB3 HIS 4 1HB HIS 4 -2.060 -0.374 -2.055
21 HD1 HIS 4 1HD HIS 4 -1.330 2.449 -4.348
22 HD2 HIS 4 2HD HIS 4 -4.555 1.045 -2.144
23 HE1 HIS 4 1HE HIS 4 -3.358 3.631 -5.245
24 H ARG 5 H ARG 5 -2.841 2.998 -0.311
25 HA ARG 5 HA ARG 5 -3.761 1.813 2.147
26 HB2 ARG 5 2HB ARG 5 -4.996 3.918 2.483
27 HB3 ARG 5 1HB ARG 5 -3.287 4.154 2.181
28 HG2 ARG 5 2HG ARG 5 -3.813 4.765 -0.155
29 HG3 ARG 5 1HG ARG 5 -5.528 4.588 0.225
30 HD2 ARG 5 2HD ARG 5 -3.624 6.490 1.587
31 HD3 ARG 5 1HD ARG 5 -4.786 6.931 0.339
32 HE ARG 5 HE ARG 5 -6.450 5.930 2.050
33 HH11 ARG 5 1HH1 ARG 5 -3.545 7.705 3.001
34 HH12 ARG 5 2HH1 ARG 5 -4.304 8.554 4.261
35 HH21 ARG 5 1HH2 ARG 5 -7.485 7.066 3.838
36 HH22 ARG 5 2HH2 ARG 5 -6.594 8.153 4.782
37 H SER 6 H SER 6 -4.565 0.379 -0.221
38 HA SER 6 HA SER 6 -7.468 0.635 0.100
39 HB2 SER 6 2HB SER 6 -7.666 -0.762 -1.973
40 HB3 SER 6 1HB SER 6 -6.835 0.764 -2.263
41 HG SER 6 HG SER 6 -5.629 -0.687 -3.241
42 H TYR 7 H TYR 7 -8.572 -1.648 0.052
43 HA TYR 7 HA TYR 7 -6.980 -3.321 1.849
44 HB2 TYR 7 2HB TYR 7 -9.202 -2.321 2.629
45 HB3 TYR 7 1HB TYR 7 -9.979 -3.377 1.459
46 HD1 TYR 7 1HD TYR 7 -9.888 -5.864 1.794
47 HD2 TYR 7 2HD TYR 7 -8.391 -3.139 4.699
48 HE1 TYR 7 1HE TYR 7 -9.892 -7.649 3.465
49 HE2 TYR 7 2HE TYR 7 -8.395 -4.910 6.373
50 HH TYR 7 HH TYR 7 -9.613 -7.083 6.749
51 HA PRO 8 HA PRO 8 -6.698 -5.365 2.490
52 HB2 PRO 8 2HB PRO 8 -4.793 -7.201 1.240
53 HB3 PRO 8 1HB PRO 8 -5.986 -7.538 2.498
54 HG2 PRO 8 2HG PRO 8 -6.233 -8.521 0.001
55 HG3 PRO 8 1HG PRO 8 -7.638 -8.059 0.978
56 HD2 PRO 8 2HD PRO 8 -6.269 -6.513 -1.198
57 HD3 PRO 8 1HD PRO 8 -8.006 -6.783 -0.939
58 HA PRO 9 HA PRO 9 -3.347 -2.532 1.945
59 HB2 PRO 9 2HB PRO 9 -1.745 -3.278 4.075
60 HB3 PRO 9 1HB PRO 9 -3.146 -2.206 4.199
61 HG2 PRO 9 2HG PRO 9 -2.936 -5.131 4.779
62 HG3 PRO 9 1HG PRO 9 -3.822 -3.873 5.659
63 HD2 PRO 9 2HD PRO 9 -5.065 -5.585 4.014
64 HD3 PRO 9 1HD PRO 9 -5.587 -3.896 4.161
65 H GLU 10 H GLU 10 -2.257 -2.995 0.181
66 HA GLU 10 HA GLU 10 -0.519 -5.286 -0.060
67 HB2 GLU 10 2HB GLU 10 -1.219 -2.999 -1.891
68 HB3 GLU 10 1HB GLU 10 -0.081 -4.267 -2.309
69 HG2 GLU 10 2HG GLU 10 -2.948 -4.761 -1.581
70 HG3 GLU 10 1HG GLU 10 -2.365 -4.544 -3.233
71 H CYS 11 H CYS 11 1.520 -5.175 0.583
72 HA CYS 11 HA CYS 11 2.803 -2.558 0.591
73 HB2 CYS 11 2HB CYS 11 3.225 -4.887 2.467
74 HB3 CYS 11 1HB CYS 11 4.260 -3.464 2.407
75 H TRP 12 H TRP 12 4.807 -2.405 -0.247
76 HA TRP 12 HA TRP 12 5.751 -4.783 -1.655
77 HB2 TRP 12 2HB TRP 12 5.849 -1.879 -2.517
78 HB3 TRP 12 1HB TRP 12 6.719 -3.170 -3.337
79 HD1 TRP 12 HD TRP 12 5.301 -4.843 -4.849
80 HE1 TRP 12 1HE TRP 12 2.907 -4.721 -5.819
81 HE3 TRP 12 3HE TRP 12 3.455 -1.026 -2.004
82 HZ2 TRP 12 2HZ TRP 12 0.566 -3.209 -5.427
83 HZ3 TRP 12 3HZ TRP 12 1.140 -0.306 -2.356
84 HH2 TRP 12 HH TRP 12 -0.278 -1.380 -4.044
85 HA PRO 13 HA PRO 13 9.464 -4.603 0.799
86 HB2 PRO 13 2HB PRO 13 10.790 -5.312 -1.780
87 HB3 PRO 13 1HB PRO 13 10.952 -6.072 -0.191
88 HG2 PRO 13 2HG PRO 13 9.485 -7.255 -2.028
89 HG3 PRO 13 1HG PRO 13 8.893 -7.160 -0.359
90 HD2 PRO 13 2HD PRO 13 8.094 -5.548 -2.746
91 HD3 PRO 13 1HD PRO 13 7.088 -6.233 -1.460
92 H ASN 14 H ASN 14 9.188 -2.820 -2.143
93 HA ASN 14 HA ASN 14 11.484 -1.222 -2.098
94 HB2 ASN 14 2HB ASN 14 9.936 -1.223 -3.969
95 HB3 ASN 14 1HB ASN 14 8.670 -0.519 -2.968
96 HD21 ASN 14 1HD2 ASN 14 11.554 0.068 -4.794
97 HD22 ASN 14 2HD2 ASN 14 11.484 1.789 -4.716
Start of MODEL 13
1 H1 GLY 1 H GLY 1 8.835 -1.120 0.176
2 HA2 GLY 1 2HA GLY 1 8.752 0.032 2.187
3 HA3 GLY 1 1HA GLY 1 9.713 1.324 1.466
4 H PHE 2 H PHE 2 6.695 -0.226 0.487
5 HA PHE 2 HA PHE 2 5.246 2.196 0.932
6 HB2 PHE 2 2HB PHE 2 6.148 2.671 -1.284
7 HB3 PHE 2 1HB PHE 2 5.599 1.108 -1.871
8 HD1 PHE 2 1HD PHE 2 4.170 4.138 -0.204
9 HD2 PHE 2 2HD PHE 2 3.673 1.088 -3.124
10 HE1 PHE 2 1HE PHE 2 2.037 5.151 -0.890
11 HE2 PHE 2 2HE PHE 2 1.539 2.092 -3.817
12 HZ PHE 2 HZ PHE 2 0.715 4.129 -2.696
13 H CYS 3 H CYS 3 3.284 1.730 1.538
14 HA CYS 3 HA CYS 3 2.121 -0.854 0.798
15 HB2 CYS 3 2HB CYS 3 1.677 0.774 3.316
16 HB3 CYS 3 1HB CYS 3 0.854 -0.725 2.913
17 H HIS 4 H HIS 4 0.396 -0.638 -0.445
18 HA HIS 4 HA HIS 4 -0.662 2.020 -0.922
19 HB2 HIS 4 2HB HIS 4 -0.360 0.364 -2.794
20 HB3 HIS 4 1HB HIS 4 -1.643 -0.615 -2.082
21 HD1 HIS 4 1HD HIS 4 -4.078 0.150 -2.557
22 HD2 HIS 4 2HD HIS 4 -1.168 2.767 -3.972
23 HE1 HIS 4 1HE HIS 4 -5.280 1.816 -4.028
24 H ARG 5 H ARG 5 -2.371 2.842 0.063
25 HA ARG 5 HA ARG 5 -3.611 1.205 2.052
26 HB2 ARG 5 2HB ARG 5 -3.810 4.168 1.554
27 HB3 ARG 5 1HB ARG 5 -4.675 3.321 2.833
28 HG2 ARG 5 2HG ARG 5 -2.517 2.575 3.760
29 HG3 ARG 5 1HG ARG 5 -1.688 3.506 2.517
30 HD2 ARG 5 2HD ARG 5 -3.595 4.653 4.544
31 HD3 ARG 5 1HD ARG 5 -1.841 4.661 4.719
32 HE ARG 5 HE ARG 5 -2.150 5.892 2.387
33 HH11 ARG 5 1HH1 ARG 5 -3.901 6.363 5.435
34 HH12 ARG 5 2HH1 ARG 5 -4.108 8.037 5.232
35 HH21 ARG 5 1HH2 ARG 5 -2.404 8.258 2.123
36 HH22 ARG 5 2HH2 ARG 5 -3.239 9.124 3.298
37 H SER 6 H SER 6 -4.605 -0.111 0.649
38 HA SER 6 HA SER 6 -7.300 0.749 -0.058
39 HB2 SER 6 2HB SER 6 -7.037 -1.067 -1.889
40 HB3 SER 6 1HB SER 6 -6.221 0.472 -2.177
41 HG SER 6 HG SER 6 -5.169 -2.028 -1.854
42 H TYR 7 H TYR 7 -8.491 -1.649 -0.319
43 HA TYR 7 HA TYR 7 -7.330 -3.272 1.785
44 HB2 TYR 7 2HB TYR 7 -9.301 -2.042 2.724
45 HB3 TYR 7 1HB TYR 7 -10.321 -2.816 1.513
46 HD1 TYR 7 1HD TYR 7 -8.147 -3.466 4.427
47 HD2 TYR 7 2HD TYR 7 -11.137 -5.043 1.842
48 HE1 TYR 7 1HE TYR 7 -8.381 -5.405 5.893
49 HE2 TYR 7 2HE TYR 7 -11.388 -6.984 3.310
50 HH TYR 7 HH TYR 7 -10.015 -8.210 4.957
51 HA PRO 8 HA PRO 8 -6.937 -5.149 2.388
52 HB2 PRO 8 2HB PRO 8 -5.198 -7.049 1.040
53 HB3 PRO 8 1HB PRO 8 -6.285 -7.311 2.408
54 HG2 PRO 8 2HG PRO 8 -6.739 -8.372 -0.042
55 HG3 PRO 8 1HG PRO 8 -8.045 -7.911 1.069
56 HD2 PRO 8 2HD PRO 8 -6.933 -6.414 -1.278
57 HD3 PRO 8 1HD PRO 8 -8.632 -6.680 -0.816
58 HA PRO 9 HA PRO 9 -3.613 -2.453 1.134
59 HB2 PRO 9 2HB PRO 9 -2.223 -2.402 3.476
60 HB3 PRO 9 1HB PRO 9 -3.719 -1.499 3.230
61 HG2 PRO 9 2HG PRO 9 -3.287 -4.107 4.621
62 HG3 PRO 9 1HG PRO 9 -4.342 -2.758 5.075
63 HD2 PRO 9 2HD PRO 9 -5.259 -5.014 3.870
64 HD3 PRO 9 1HD PRO 9 -6.014 -3.425 3.654
65 H GLU 10 H GLU 10 -1.860 -2.896 0.036
66 HA GLU 10 HA GLU 10 -0.378 -5.352 0.625
67 HB2 GLU 10 2HB GLU 10 -0.754 -3.823 -1.922
68 HB3 GLU 10 1HB GLU 10 0.488 -5.043 -1.726
69 HG2 GLU 10 2HG GLU 10 -1.209 -6.719 -1.302
70 HG3 GLU 10 1HG GLU 10 -2.473 -5.496 -1.446
71 H CYS 11 H CYS 11 1.771 -5.289 0.890
72 HA CYS 11 HA CYS 11 3.085 -2.672 0.777
73 HB2 CYS 11 2HB CYS 11 3.523 -4.925 2.746
74 HB3 CYS 11 1HB CYS 11 4.523 -3.480 2.639
75 H TRP 12 H TRP 12 4.912 -2.577 -0.347
76 HA TRP 12 HA TRP 12 5.939 -5.084 -1.481
77 HB2 TRP 12 2HB TRP 12 6.050 -2.275 -2.620
78 HB3 TRP 12 1HB TRP 12 6.780 -3.694 -3.358
79 HD1 TRP 12 HD TRP 12 5.172 -5.329 -4.704
80 HE1 TRP 12 1HE TRP 12 2.732 -5.103 -5.525
81 HE3 TRP 12 3HE TRP 12 3.770 -1.268 -1.970
82 HZ2 TRP 12 2HZ TRP 12 0.525 -3.426 -5.055
83 HZ3 TRP 12 3HZ TRP 12 1.498 -0.415 -2.214
84 HH2 TRP 12 HH TRP 12 -0.098 -1.484 -3.737
85 HA PRO 13 HA PRO 13 9.860 -4.331 0.609
86 HB2 PRO 13 2HB PRO 13 11.149 -5.268 -1.898
87 HB3 PRO 13 1HB PRO 13 11.305 -5.894 -0.254
88 HG2 PRO 13 2HG PRO 13 9.902 -7.240 -2.051
89 HG3 PRO 13 1HG PRO 13 9.313 -7.093 -0.384
90 HD2 PRO 13 2HD PRO 13 8.436 -5.596 -2.832
91 HD3 PRO 13 1HD PRO 13 7.468 -6.326 -1.535
92 H ASN 14 H ASN 14 8.796 -2.299 -1.465
93 HA ASN 14 HA ASN 14 11.252 -0.836 -2.161
94 HB2 ASN 14 2HB ASN 14 9.537 -1.106 -3.907
95 HB3 ASN 14 1HB ASN 14 8.334 -0.387 -2.845
96 HD21 ASN 14 1HD2 ASN 14 7.837 1.242 -4.251
97 HD22 ASN 14 2HD2 ASN 14 8.922 2.552 -4.574
Start of MODEL 14
1 H1 GLY 1 H GLY 1 8.667 -1.619 0.513
2 HA2 GLY 1 2HA GLY 1 8.061 -0.654 2.549
3 HA3 GLY 1 1HA GLY 1 9.135 0.692 2.205
4 H PHE 2 H PHE 2 7.069 -0.150 -0.339
5 HA PHE 2 HA PHE 2 5.480 2.251 0.224
6 HB2 PHE 2 2HB PHE 2 6.698 2.093 -1.980
7 HB3 PHE 2 1HB PHE 2 5.702 0.702 -2.377
8 HD1 PHE 2 1HD PHE 2 5.786 4.322 -1.975
9 HD2 PHE 2 2HD PHE 2 3.328 0.990 -2.950
10 HE1 PHE 2 1HE PHE 2 4.085 5.843 -2.885
11 HE2 PHE 2 2HE PHE 2 1.634 2.505 -3.860
12 HZ PHE 2 HZ PHE 2 2.007 4.933 -3.830
13 H CYS 3 H CYS 3 3.290 2.090 0.520
14 HA CYS 3 HA CYS 3 2.088 -0.545 0.164
15 HB2 CYS 3 2HB CYS 3 1.786 1.212 2.611
16 HB3 CYS 3 1HB CYS 3 0.913 -0.283 2.309
17 H HIS 4 H HIS 4 -0.145 -0.469 -0.161
18 HA HIS 4 HA HIS 4 -1.217 2.168 -0.852
19 HB2 HIS 4 2HB HIS 4 -2.047 -0.618 -1.643
20 HB3 HIS 4 1HB HIS 4 -3.152 0.739 -1.810
21 HD1 HIS 4 1HD HIS 4 -2.298 -0.831 -4.270
22 HD2 HIS 4 2HD HIS 4 -0.361 2.573 -2.897
23 HE1 HIS 4 1HE HIS 4 -1.123 0.178 -6.290
24 H ARG 5 H ARG 5 -3.312 2.711 -0.116
25 HA ARG 5 HA ARG 5 -3.834 1.624 2.545
26 HB2 ARG 5 2HB ARG 5 -4.722 4.197 1.248
27 HB3 ARG 5 1HB ARG 5 -5.222 3.675 2.848
28 HG2 ARG 5 2HG ARG 5 -2.432 4.372 1.950
29 HG3 ARG 5 1HG ARG 5 -3.454 5.292 3.053
30 HD2 ARG 5 2HD ARG 5 -2.194 2.586 3.524
31 HD3 ARG 5 1HD ARG 5 -1.856 4.097 4.358
32 HE ARG 5 HE ARG 5 -4.528 3.598 4.763
33 HH11 ARG 5 1HH1 ARG 5 -1.452 2.093 5.670
34 HH12 ARG 5 2HH1 ARG 5 -2.125 1.220 6.980
35 HH21 ARG 5 1HH2 ARG 5 -5.409 2.365 6.544
36 HH22 ARG 5 2HH2 ARG 5 -4.401 1.371 7.488
37 H SER 6 H SER 6 -4.668 0.509 -0.132
38 HA SER 6 HA SER 6 -7.521 0.571 -0.035
39 HB2 SER 6 2HB SER 6 -7.097 -1.175 -1.879
40 HB3 SER 6 1HB SER 6 -6.526 0.469 -2.184
41 HG SER 6 HG SER 6 -5.107 -1.650 -2.342
42 H TYR 7 H TYR 7 -8.167 -2.108 -0.460
43 HA TYR 7 HA TYR 7 -7.055 -3.465 1.850
44 HB2 TYR 7 2HB TYR 7 -9.259 -2.657 2.508
45 HB3 TYR 7 1HB TYR 7 -9.983 -3.371 1.071
46 HD1 TYR 7 1HD TYR 7 -8.097 -4.285 4.153
47 HD2 TYR 7 2HD TYR 7 -10.853 -5.528 1.170
48 HE1 TYR 7 1HE TYR 7 -8.465 -6.371 5.376
49 HE2 TYR 7 2HE TYR 7 -11.234 -7.617 2.380
50 HH TYR 7 HH TYR 7 -10.061 -9.035 3.997
51 HA PRO 8 HA PRO 8 -6.338 -5.171 2.543
52 HB2 PRO 8 2HB PRO 8 -4.161 -6.723 2.104
53 HB3 PRO 8 1HB PRO 8 -5.751 -7.421 2.436
54 HG2 PRO 8 2HG PRO 8 -4.359 -7.043 -0.186
55 HG3 PRO 8 1HG PRO 8 -5.271 -8.444 0.403
56 HD2 PRO 8 2HD PRO 8 -6.319 -6.612 -1.302
57 HD3 PRO 8 1HD PRO 8 -7.302 -7.500 -0.121
58 HA PRO 9 HA PRO 9 -3.372 -2.005 1.503
59 HB2 PRO 9 2HB PRO 9 -1.861 -1.966 3.797
60 HB3 PRO 9 1HB PRO 9 -3.453 -1.213 3.672
61 HG2 PRO 9 2HG PRO 9 -2.684 -3.833 4.874
62 HG3 PRO 9 1HG PRO 9 -3.894 -2.661 5.422
63 HD2 PRO 9 2HD PRO 9 -4.521 -4.953 4.085
64 HD3 PRO 9 1HD PRO 9 -5.503 -3.477 4.001
65 H GLU 10 H GLU 10 -2.373 -3.142 -0.122
66 HA GLU 10 HA GLU 10 -0.414 -5.125 0.318
67 HB2 GLU 10 2HB GLU 10 -1.190 -3.571 -2.132
68 HB3 GLU 10 1HB GLU 10 0.076 -4.794 -2.140
69 HG2 GLU 10 2HG GLU 10 -2.785 -5.267 -1.334
70 HG3 GLU 10 1HG GLU 10 -2.085 -5.674 -2.903
71 H CYS 11 H CYS 11 1.676 -5.038 0.519
72 HA CYS 11 HA CYS 11 2.955 -2.435 0.263
73 HB2 CYS 11 2HB CYS 11 3.435 -4.568 2.339
74 HB3 CYS 11 1HB CYS 11 4.476 -3.172 2.098
75 H TRP 12 H TRP 12 4.813 -2.368 -0.710
76 HA TRP 12 HA TRP 12 5.801 -4.817 -1.963
77 HB2 TRP 12 2HB TRP 12 6.102 -1.888 -2.690
78 HB3 TRP 12 1HB TRP 12 7.034 -3.160 -3.474
79 HD1 TRP 12 HD TRP 12 5.821 -4.626 -5.277
80 HE1 TRP 12 1HE TRP 12 3.512 -4.508 -6.409
81 HE3 TRP 12 3HE TRP 12 3.583 -1.188 -2.225
82 HZ2 TRP 12 2HZ TRP 12 1.080 -3.139 -6.059
83 HZ3 TRP 12 3HZ TRP 12 1.264 -0.538 -2.700
84 HH2 TRP 12 HH TRP 12 0.049 -1.495 -4.571
85 HA PRO 13 HA PRO 13 9.336 -5.041 0.610
86 HB2 PRO 13 2HB PRO 13 11.372 -5.366 -1.247
87 HB3 PRO 13 1HB PRO 13 10.324 -6.655 -0.649
88 HG2 PRO 13 2HG PRO 13 10.095 -5.044 -3.155
89 HG3 PRO 13 1HG PRO 13 9.859 -6.785 -2.919
90 HD2 PRO 13 2HD PRO 13 7.766 -5.176 -3.139
91 HD3 PRO 13 1HD PRO 13 7.758 -6.486 -1.939
92 H ASN 14 H ASN 14 9.204 -2.583 -1.759
93 HA ASN 14 HA ASN 14 11.606 -1.217 -0.879
94 HB2 ASN 14 2HB ASN 14 10.735 -1.129 -3.252
95 HB3 ASN 14 1HB ASN 14 9.407 -0.151 -2.645
96 HD21 ASN 14 1HD2 ASN 14 9.980 1.602 -3.895
97 HD22 ASN 14 2HD2 ASN 14 11.368 2.567 -3.541
Start of MODEL 15
1 H1 GLY 1 H GLY 1 8.584 -1.211 -0.224
2 HA2 GLY 1 2HA GLY 1 8.941 -0.433 2.001
3 HA3 GLY 1 1HA GLY 1 9.762 0.975 1.342
4 H PHE 2 H PHE 2 7.072 0.367 -0.436
5 HA PHE 2 HA PHE 2 5.545 2.369 1.046
6 HB2 PHE 2 2HB PHE 2 6.155 3.148 -1.159
7 HB3 PHE 2 1HB PHE 2 5.559 1.682 -1.909
8 HD1 PHE 2 1HD PHE 2 3.484 1.740 -2.899
9 HD2 PHE 2 2HD PHE 2 4.362 4.529 0.198
10 HE1 PHE 2 1HE PHE 2 1.321 2.838 -3.280
11 HE2 PHE 2 2HE PHE 2 2.195 5.622 -0.181
12 HZ PHE 2 HZ PHE 2 0.676 4.783 -1.917
13 H CYS 3 H CYS 3 3.639 1.937 1.812
14 HA CYS 3 HA CYS 3 2.359 -0.616 1.169
15 HB2 CYS 3 2HB CYS 3 2.103 1.110 3.646
16 HB3 CYS 3 1HB CYS 3 1.271 -0.410 3.361
17 H HIS 4 H HIS 4 0.592 -0.375 0.002
18 HA HIS 4 HA HIS 4 -0.470 2.325 -0.275
19 HB2 HIS 4 2HB HIS 4 0.202 1.030 -2.339
20 HB3 HIS 4 1HB HIS 4 -1.063 -0.128 -1.938
21 HD1 HIS 4 1HD HIS 4 -2.740 0.246 -3.785
22 HD2 HIS 4 2HD HIS 4 -1.424 3.781 -2.059
23 HE1 HIS 4 1HE HIS 4 -4.108 2.079 -4.834
24 H ARG 5 H ARG 5 -2.368 2.812 0.598
25 HA ARG 5 HA ARG 5 -3.720 0.742 2.017
26 HB2 ARG 5 2HB ARG 5 -5.329 2.492 2.782
27 HB3 ARG 5 1HB ARG 5 -3.656 2.824 3.186
28 HG2 ARG 5 2HG ARG 5 -3.509 4.551 1.596
29 HG3 ARG 5 1HG ARG 5 -4.998 4.040 0.787
30 HD2 ARG 5 2HD ARG 5 -4.792 5.120 3.592
31 HD3 ARG 5 1HD ARG 5 -5.321 6.044 2.180
32 HE ARG 5 HE ARG 5 -6.981 3.971 2.111
33 HH11 ARG 5 1HH1 ARG 5 -6.158 6.149 4.769
34 HH12 ARG 5 2HH1 ARG 5 -7.636 5.929 5.586
35 HH21 ARG 5 1HH2 ARG 5 -8.994 3.654 3.244
36 HH22 ARG 5 2HH2 ARG 5 -9.273 4.472 4.701
37 H SER 6 H SER 6 -4.079 -0.470 0.118
38 HA SER 6 HA SER 6 -6.451 0.289 -1.339
39 HB2 SER 6 2HB SER 6 -5.811 -1.918 -2.528
40 HB3 SER 6 1HB SER 6 -4.749 -0.526 -2.757
41 HG SER 6 HG SER 6 -3.506 -2.240 -2.312
42 H TYR 7 H TYR 7 -7.424 -2.417 -1.648
43 HA TYR 7 HA TYR 7 -7.944 -3.130 1.124
44 HB2 TYR 7 2HB TYR 7 -9.786 -1.691 0.177
45 HB3 TYR 7 1HB TYR 7 -10.075 -2.948 -1.016
46 HD1 TYR 7 1HD TYR 7 -9.883 -2.434 2.655
47 HD2 TYR 7 2HD TYR 7 -11.658 -4.601 -0.542
48 HE1 TYR 7 1HE TYR 7 -11.398 -3.491 4.235
49 HE2 TYR 7 2HE TYR 7 -13.195 -5.677 1.039
50 HH TYR 7 HH TYR 7 -13.509 -4.575 4.290
51 HA PRO 8 HA PRO 8 -7.287 -4.617 2.257
52 HB2 PRO 8 2HB PRO 8 -5.207 -6.650 2.158
53 HB3 PRO 8 1HB PRO 8 -6.643 -6.598 3.179
54 HG2 PRO 8 2HG PRO 8 -6.342 -8.413 1.197
55 HG3 PRO 8 1HG PRO 8 -7.927 -7.759 1.649
56 HD2 PRO 8 2HD PRO 8 -6.130 -6.956 -0.616
57 HD3 PRO 8 1HD PRO 8 -7.881 -7.264 -0.630
58 HA PRO 9 HA PRO 9 -3.624 -2.079 1.409
59 HB2 PRO 9 2HB PRO 9 -3.105 -2.266 4.319
60 HB3 PRO 9 1HB PRO 9 -3.364 -0.830 3.325
61 HG2 PRO 9 2HG PRO 9 -5.237 -1.662 5.022
62 HG3 PRO 9 1HG PRO 9 -5.664 -1.015 3.429
63 HD2 PRO 9 2HD PRO 9 -5.564 -3.870 4.336
64 HD3 PRO 9 1HD PRO 9 -6.757 -3.035 3.321
65 H GLU 10 H GLU 10 -1.994 -3.161 0.470
66 HA GLU 10 HA GLU 10 -0.525 -5.100 2.093
67 HB2 GLU 10 2HB GLU 10 -1.701 -5.885 -0.030
68 HB3 GLU 10 1HB GLU 10 -0.504 -4.959 -0.919
69 HG2 GLU 10 2HG GLU 10 1.273 -6.312 0.001
70 HG3 GLU 10 1HG GLU 10 0.117 -7.196 0.991
71 H CYS 11 H CYS 11 1.779 -5.127 1.951
72 HA CYS 11 HA CYS 11 2.972 -2.565 1.173
73 HB2 CYS 11 2HB CYS 11 3.855 -4.596 3.236
74 HB3 CYS 11 1HB CYS 11 4.748 -3.144 2.811
75 H TRP 12 H TRP 12 4.703 -2.594 -0.193
76 HA TRP 12 HA TRP 12 5.544 -5.237 -1.118
77 HB2 TRP 12 2HB TRP 12 5.149 -2.711 -2.768
78 HB3 TRP 12 1HB TRP 12 5.991 -4.135 -3.381
79 HD1 TRP 12 HD TRP 12 4.477 -6.315 -3.832
80 HE1 TRP 12 1HE TRP 12 1.937 -6.567 -4.219
81 HE3 TRP 12 3HE TRP 12 2.958 -1.755 -2.141
82 HZ2 TRP 12 2HZ TRP 12 -0.392 -5.012 -3.852
83 HZ3 TRP 12 3HZ TRP 12 0.575 -1.217 -2.185
84 HH2 TRP 12 HH TRP 12 -1.068 -2.814 -3.027
85 HA PRO 13 HA PRO 13 9.692 -4.491 -0.129
86 HB2 PRO 13 2HB PRO 13 10.746 -4.987 -2.820
87 HB3 PRO 13 1HB PRO 13 10.968 -5.908 -1.335
88 HG2 PRO 13 2HG PRO 13 9.433 -6.853 -3.299
89 HG3 PRO 13 1HG PRO 13 8.977 -7.074 -1.601
90 HD2 PRO 13 2HD PRO 13 7.995 -5.038 -3.567
91 HD3 PRO 13 1HD PRO 13 7.052 -6.060 -2.463
92 H ASN 14 H ASN 14 8.437 -2.258 -2.276
93 HA ASN 14 HA ASN 14 10.922 -0.788 -2.562
94 HB2 ASN 14 2HB ASN 14 8.094 0.160 -3.203
95 HB3 ASN 14 1HB ASN 14 9.554 1.075 -3.494
96 HD21 ASN 14 1HD2 ASN 14 7.513 -1.471 -4.618
97 HD22 ASN 14 2HD2 ASN 14 8.380 -1.776 -6.068
Start of MODEL 16
1 H1 GLY 1 H GLY 1 9.006 -1.281 0.474
2 HA2 GLY 1 2HA GLY 1 8.803 0.031 2.380
3 HA3 GLY 1 1HA GLY 1 9.916 1.201 1.664
4 H PHE 2 H PHE 2 6.976 -0.206 0.364
5 HA PHE 2 HA PHE 2 5.707 2.402 0.418
6 HB2 PHE 2 2HB PHE 2 7.005 2.272 -1.690
7 HB3 PHE 2 1HB PHE 2 6.154 0.795 -2.104
8 HD1 PHE 2 1HD PHE 2 4.135 0.888 -3.274
9 HD2 PHE 2 2HD PHE 2 5.660 4.400 -1.425
10 HE1 PHE 2 1HE PHE 2 2.415 2.228 -4.409
11 HE2 PHE 2 2HE PHE 2 3.946 5.742 -2.551
12 HZ PHE 2 HZ PHE 2 2.322 4.655 -4.050
13 H CYS 3 H CYS 3 3.868 1.918 1.414
14 HA CYS 3 HA CYS 3 2.468 -0.552 0.663
15 HB2 CYS 3 2HB CYS 3 2.140 1.114 3.175
16 HB3 CYS 3 1HB CYS 3 1.296 -0.381 2.813
17 H HIS 4 H HIS 4 0.330 -0.335 -0.063
18 HA HIS 4 HA HIS 4 -0.539 2.438 -0.376
19 HB2 HIS 4 2HB HIS 4 -0.118 1.245 -2.526
20 HB3 HIS 4 1HB HIS 4 -1.296 0.023 -2.060
21 HD1 HIS 4 1HD HIS 4 -1.035 3.548 -3.345
22 HD2 HIS 4 2HD HIS 4 -3.954 0.794 -2.283
23 HE1 HIS 4 1HE HIS 4 -3.214 4.497 -4.165
24 H ARG 5 H ARG 5 -2.605 2.955 0.258
25 HA ARG 5 HA ARG 5 -3.679 1.102 2.191
26 HB2 ARG 5 2HB ARG 5 -4.691 3.870 1.550
27 HB3 ARG 5 1HB ARG 5 -5.161 2.878 2.916
28 HG2 ARG 5 2HG ARG 5 -2.480 4.152 2.421
29 HG3 ARG 5 1HG ARG 5 -3.640 4.530 3.692
30 HD2 ARG 5 2HD ARG 5 -2.076 1.967 3.381
31 HD3 ARG 5 1HD ARG 5 -1.809 3.234 4.574
32 HE ARG 5 HE ARG 5 -4.373 2.503 4.976
33 HH11 ARG 5 1HH1 ARG 5 -1.287 0.724 4.983
34 HH12 ARG 5 2HH1 ARG 5 -1.831 -0.470 6.051
35 HH21 ARG 5 1HH2 ARG 5 -5.092 0.853 6.471
36 HH22 ARG 5 2HH2 ARG 5 -4.027 -0.389 6.925
37 H SER 6 H SER 6 -4.251 -0.418 0.631
38 HA SER 6 HA SER 6 -6.808 0.092 -0.677
39 HB2 SER 6 2HB SER 6 -6.183 -2.167 -1.744
40 HB3 SER 6 1HB SER 6 -5.192 -0.788 -2.211
41 HG SER 6 HG SER 6 -4.583 -3.046 -0.794
42 H TYR 7 H TYR 7 -7.817 -2.517 -0.627
43 HA TYR 7 HA TYR 7 -7.571 -3.476 2.082
44 HB2 TYR 7 2HB TYR 7 -9.503 -1.814 1.985
45 HB3 TYR 7 1HB TYR 7 -10.296 -2.929 0.880
46 HD1 TYR 7 1HD TYR 7 -8.898 -2.657 4.298
47 HD2 TYR 7 2HD TYR 7 -11.584 -4.732 1.739
48 HE1 TYR 7 1HE TYR 7 -9.820 -3.825 6.233
49 HE2 TYR 7 2HE TYR 7 -12.513 -5.912 3.678
50 HH TYR 7 HH TYR 7 -11.797 -6.536 5.997
51 HA PRO 8 HA PRO 8 -6.797 -5.236 2.786
52 HB2 PRO 8 2HB PRO 8 -4.828 -6.992 2.146
53 HB3 PRO 8 1HB PRO 8 -6.400 -7.514 2.763
54 HG2 PRO 8 2HG PRO 8 -5.426 -7.398 -0.068
55 HG3 PRO 8 1HG PRO 8 -6.303 -8.700 0.756
56 HD2 PRO 8 2HD PRO 8 -7.551 -6.953 -0.870
57 HD3 PRO 8 1HD PRO 8 -8.340 -7.614 0.575
58 HA PRO 9 HA PRO 9 -3.867 -2.274 1.250
59 HB2 PRO 9 2HB PRO 9 -2.171 -2.175 3.411
60 HB3 PRO 9 1HB PRO 9 -3.726 -1.341 3.342
61 HG2 PRO 9 2HG PRO 9 -3.017 -3.920 4.663
62 HG3 PRO 9 1HG PRO 9 -4.104 -2.636 5.217
63 HD2 PRO 9 2HD PRO 9 -4.988 -4.951 4.121
64 HD3 PRO 9 1HD PRO 9 -5.861 -3.414 3.963
65 H GLU 10 H GLU 10 -2.605 -2.927 -0.343
66 HA GLU 10 HA GLU 10 -0.787 -5.146 0.035
67 HB2 GLU 10 2HB GLU 10 -1.308 -3.452 -2.415
68 HB3 GLU 10 1HB GLU 10 -0.290 -4.882 -2.369
69 HG2 GLU 10 2HG GLU 10 -2.316 -6.176 -1.648
70 HG3 GLU 10 1HG GLU 10 -3.265 -4.730 -1.986
71 H CYS 11 H CYS 11 1.407 -4.988 0.068
72 HA CYS 11 HA CYS 11 2.522 -2.324 -0.121
73 HB2 CYS 11 2HB CYS 11 1.975 -2.743 2.276
74 HB3 CYS 11 1HB CYS 11 3.004 -4.170 2.227
75 H TRP 12 H TRP 12 4.700 -2.302 -0.616
76 HA TRP 12 HA TRP 12 5.707 -4.852 -1.649
77 HB2 TRP 12 2HB TRP 12 6.082 -2.035 -2.729
78 HB3 TRP 12 1HB TRP 12 6.868 -3.467 -3.384
79 HD1 TRP 12 HD TRP 12 5.453 -5.003 -4.992
80 HE1 TRP 12 1HE TRP 12 3.119 -4.802 -6.071
81 HE3 TRP 12 3HE TRP 12 3.649 -1.066 -2.282
82 HZ2 TRP 12 2HZ TRP 12 0.822 -3.172 -5.798
83 HZ3 TRP 12 3HZ TRP 12 1.384 -0.250 -2.750
84 HH2 TRP 12 HH TRP 12 0.002 -1.283 -4.472
85 HA PRO 13 HA PRO 13 9.147 -4.321 1.106
86 HB2 PRO 13 2HB PRO 13 11.133 -5.569 -0.285
87 HB3 PRO 13 1HB PRO 13 9.844 -6.432 0.554
88 HG2 PRO 13 2HG PRO 13 10.096 -5.761 -2.345
89 HG3 PRO 13 1HG PRO 13 9.540 -7.261 -1.583
90 HD2 PRO 13 2HD PRO 13 7.824 -5.445 -2.611
91 HD3 PRO 13 1HD PRO 13 7.424 -6.434 -1.194
92 H ASN 14 H ASN 14 8.842 -2.565 -1.504
93 HA ASN 14 HA ASN 14 11.456 -1.331 -1.719
94 HB2 ASN 14 2HB ASN 14 9.985 -1.487 -3.693
95 HB3 ASN 14 1HB ASN 14 8.738 -0.584 -2.855
96 HD21 ASN 14 1HD2 ASN 14 11.804 -0.409 -4.465
97 HD22 ASN 14 2HD2 ASN 14 11.827 1.294 -4.690
Start of MODEL 17
1 H1 GLY 1 H GLY 1 9.420 -1.206 0.544
2 HA2 GLY 1 2HA GLY 1 9.033 0.336 2.206
3 HA3 GLY 1 1HA GLY 1 10.057 1.462 1.325
4 H PHE 2 H PHE 2 7.036 -0.180 0.487
5 HA PHE 2 HA PHE 2 5.686 2.370 0.337
6 HB2 PHE 2 2HB PHE 2 6.750 2.251 -1.845
7 HB3 PHE 2 1HB PHE 2 6.122 0.631 -2.098
8 HD1 PHE 2 1HD PHE 2 4.953 4.123 -1.479
9 HD2 PHE 2 2HD PHE 2 4.178 0.363 -3.308
10 HE1 PHE 2 1HE PHE 2 2.970 5.064 -2.593
11 HE2 PHE 2 2HE PHE 2 2.205 1.293 -4.406
12 HZ PHE 2 HZ PHE 2 1.592 3.642 -4.057
13 H CYS 3 H CYS 3 3.703 2.121 1.078
14 HA CYS 3 HA CYS 3 2.355 -0.448 0.698
15 HB2 CYS 3 2HB CYS 3 2.246 1.347 3.138
16 HB3 CYS 3 1HB CYS 3 1.203 -0.044 2.882
17 H HIS 4 H HIS 4 0.216 -0.355 0.150
18 HA HIS 4 HA HIS 4 -0.850 2.314 -0.514
19 HB2 HIS 4 2HB HIS 4 -0.277 0.817 -2.471
20 HB3 HIS 4 1HB HIS 4 -1.428 -0.356 -1.858
21 HD1 HIS 4 1HD HIS 4 -1.248 1.637 -4.574
22 HD2 HIS 4 2HD HIS 4 -4.062 1.497 -1.525
23 HE1 HIS 4 1HE HIS 4 -3.360 2.611 -5.540
24 H ARG 5 H ARG 5 -2.599 2.789 0.691
25 HA ARG 5 HA ARG 5 -3.780 0.668 2.207
26 HB2 ARG 5 2HB ARG 5 -5.065 2.438 3.393
27 HB3 ARG 5 1HB ARG 5 -3.337 2.710 3.438
28 HG2 ARG 5 2HG ARG 5 -3.559 4.388 1.678
29 HG3 ARG 5 1HG ARG 5 -5.301 4.094 1.645
30 HD2 ARG 5 2HD ARG 5 -5.398 4.765 4.029
31 HD3 ARG 5 1HD ARG 5 -3.679 5.167 3.942
32 HE ARG 5 HE ARG 5 -5.363 6.411 1.973
33 HH11 ARG 5 1HH1 ARG 5 -3.835 6.770 5.140
34 HH12 ARG 5 2HH1 ARG 5 -3.946 8.468 5.167
35 HH21 ARG 5 1HH2 ARG 5 -5.537 8.748 2.021
36 HH22 ARG 5 2HH2 ARG 5 -4.928 9.618 3.353
37 H SER 6 H SER 6 -4.706 -0.539 0.798
38 HA SER 6 HA SER 6 -7.183 0.407 -0.449
39 HB2 SER 6 2HB SER 6 -6.674 -1.470 -2.116
40 HB3 SER 6 1HB SER 6 -5.609 -0.068 -2.209
41 HG SER 6 HG SER 6 -5.017 -2.544 -0.878
42 H TYR 7 H TYR 7 -8.203 -2.125 -1.041
43 HA TYR 7 HA TYR 7 -7.925 -3.546 1.474
44 HB2 TYR 7 2HB TYR 7 -10.187 -2.604 1.394
45 HB3 TYR 7 1HB TYR 7 -10.452 -3.321 -0.195
46 HD1 TYR 7 1HD TYR 7 -9.811 -4.182 3.365
47 HD2 TYR 7 2HD TYR 7 -11.257 -5.525 -0.397
48 HE1 TYR 7 1HE TYR 7 -10.599 -6.248 4.412
49 HE2 TYR 7 2HE TYR 7 -12.061 -7.585 0.629
50 HH TYR 7 HH TYR 7 -11.589 -8.948 2.572
51 HA PRO 8 HA PRO 8 -7.108 -5.053 2.249
52 HB2 PRO 8 2HB PRO 8 -4.965 -6.670 2.331
53 HB3 PRO 8 1HB PRO 8 -6.605 -7.326 2.330
54 HG2 PRO 8 2HG PRO 8 -4.663 -7.092 0.069
55 HG3 PRO 8 1HG PRO 8 -5.723 -8.445 0.494
56 HD2 PRO 8 2HD PRO 8 -6.302 -6.609 -1.458
57 HD3 PRO 8 1HD PRO 8 -7.536 -7.511 -0.557
58 HA PRO 9 HA PRO 9 -3.739 -2.069 1.706
59 HB2 PRO 9 2HB PRO 9 -2.718 -2.975 4.340
60 HB3 PRO 9 1HB PRO 9 -3.217 -1.358 3.841
61 HG2 PRO 9 2HG PRO 9 -4.713 -2.834 5.508
62 HG3 PRO 9 1HG PRO 9 -5.444 -1.756 4.306
63 HD2 PRO 9 2HD PRO 9 -5.175 -4.743 4.244
64 HD3 PRO 9 1HD PRO 9 -6.489 -3.698 3.678
65 H GLU 10 H GLU 10 -2.144 -2.633 0.353
66 HA GLU 10 HA GLU 10 -0.611 -5.065 0.942
67 HB2 GLU 10 2HB GLU 10 -0.975 -3.646 -1.700
68 HB3 GLU 10 1HB GLU 10 -0.053 -5.119 -1.443
69 HG2 GLU 10 2HG GLU 10 -2.140 -6.240 -0.725
70 HG3 GLU 10 1HG GLU 10 -3.020 -4.769 -1.123
71 H CYS 11 H CYS 11 1.565 -4.997 1.021
72 HA CYS 11 HA CYS 11 2.840 -2.404 0.557
73 HB2 CYS 11 2HB CYS 11 3.538 -4.505 2.602
74 HB3 CYS 11 1HB CYS 11 4.514 -3.083 2.261
75 H TRP 12 H TRP 12 4.838 -2.426 -0.384
76 HA TRP 12 HA TRP 12 5.645 -4.946 -1.659
77 HB2 TRP 12 2HB TRP 12 5.858 -2.087 -2.669
78 HB3 TRP 12 1HB TRP 12 6.618 -3.466 -3.453
79 HD1 TRP 12 HD TRP 12 5.134 -4.907 -5.045
80 HE1 TRP 12 1HE TRP 12 2.687 -4.730 -5.880
81 HE3 TRP 12 3HE TRP 12 3.416 -1.320 -1.850
82 HZ2 TRP 12 2HZ TRP 12 0.377 -3.280 -5.272
83 HZ3 TRP 12 3HZ TRP 12 1.089 -0.602 -2.040
84 HH2 TRP 12 HH TRP 12 -0.404 -1.562 -3.724
85 HA PRO 13 HA PRO 13 9.362 -4.427 0.753
86 HB2 PRO 13 2HB PRO 13 11.112 -5.863 -0.724
87 HB3 PRO 13 1HB PRO 13 9.788 -6.630 0.162
88 HG2 PRO 13 2HG PRO 13 9.910 -5.850 -2.731
89 HG3 PRO 13 1HG PRO 13 9.413 -7.400 -2.029
90 HD2 PRO 13 2HD PRO 13 7.610 -5.584 -2.796
91 HD3 PRO 13 1HD PRO 13 7.359 -6.565 -1.338
92 H ASN 14 H ASN 14 8.806 -2.286 -1.031
93 HA ASN 14 HA ASN 14 11.511 -1.371 -1.781
94 HB2 ASN 14 2HB ASN 14 8.869 -0.965 -3.186
95 HB3 ASN 14 1HB ASN 14 10.184 0.174 -3.387
96 HD21 ASN 14 1HD2 ASN 14 10.974 -3.217 -3.048
97 HD22 ASN 14 2HD2 ASN 14 11.334 -3.468 -4.716
Start of MODEL 18
1 H1 GLY 1 H GLY 1 8.596 -0.771 -0.077
2 HA2 GLY 1 2HA GLY 1 8.840 0.229 2.199
3 HA3 GLY 1 1HA GLY 1 9.864 1.425 1.403
4 H PHE 2 H PHE 2 6.718 -0.095 0.738
5 HA PHE 2 HA PHE 2 5.411 2.434 0.731
6 HB2 PHE 2 2HB PHE 2 6.479 2.499 -1.491
7 HB3 PHE 2 1HB PHE 2 5.757 0.947 -1.889
8 HD1 PHE 2 1HD PHE 2 4.884 4.425 -0.934
9 HD2 PHE 2 2HD PHE 2 3.678 0.876 -2.939
10 HE1 PHE 2 1HE PHE 2 2.906 5.592 -1.816
11 HE2 PHE 2 2HE PHE 2 1.709 2.032 -3.814
12 HZ PHE 2 HZ PHE 2 1.318 4.394 -3.255
13 H CYS 3 H CYS 3 3.354 2.135 1.251
14 HA CYS 3 HA CYS 3 2.133 -0.475 0.794
15 HB2 CYS 3 2HB CYS 3 2.002 1.124 3.362
16 HB3 CYS 3 1HB CYS 3 1.038 -0.302 3.014
17 H HIS 4 H HIS 4 0.474 -0.176 -0.424
18 HA HIS 4 HA HIS 4 -0.858 2.418 -0.548
19 HB2 HIS 4 2HB HIS 4 -0.221 1.319 -2.678
20 HB3 HIS 4 1HB HIS 4 -1.179 -0.085 -2.243
21 HD1 HIS 4 1HD HIS 4 -1.490 3.400 -3.595
22 HD2 HIS 4 2HD HIS 4 -3.923 0.208 -2.558
23 HE1 HIS 4 1HE HIS 4 -3.734 3.896 -4.598
24 H ARG 5 H ARG 5 -2.701 2.730 0.527
25 HA ARG 5 HA ARG 5 -3.734 0.437 1.895
26 HB2 ARG 5 2HB ARG 5 -4.220 3.352 2.410
27 HB3 ARG 5 1HB ARG 5 -5.180 2.102 3.188
28 HG2 ARG 5 2HG ARG 5 -3.502 2.653 4.731
29 HG3 ARG 5 1HG ARG 5 -2.976 1.138 4.016
30 HD2 ARG 5 2HD ARG 5 -1.053 2.491 4.108
31 HD3 ARG 5 1HD ARG 5 -1.581 2.559 2.427
32 HE ARG 5 HE ARG 5 -2.744 4.645 3.899
33 HH11 ARG 5 1HH1 ARG 5 0.304 3.776 2.304
34 HH12 ARG 5 2HH1 ARG 5 0.938 5.350 2.359
35 HH21 ARG 5 1HH2 ARG 5 -1.874 6.815 3.926
36 HH22 ARG 5 2HH2 ARG 5 -0.337 7.119 3.280
37 H SER 6 H SER 6 -4.528 -0.532 0.127
38 HA SER 6 HA SER 6 -7.201 0.286 -0.673
39 HB2 SER 6 2HB SER 6 -6.791 -1.858 -2.097
40 HB3 SER 6 1HB SER 6 -5.886 -0.405 -2.526
41 HG SER 6 HG SER 6 -4.970 -2.690 -1.065
42 H TYR 7 H TYR 7 -8.235 -2.372 -0.895
43 HA TYR 7 HA TYR 7 -7.721 -3.448 1.752
44 HB2 TYR 7 2HB TYR 7 -9.960 -2.370 1.693
45 HB3 TYR 7 1HB TYR 7 -10.422 -3.460 0.387
46 HD1 TYR 7 1HD TYR 7 -9.208 -3.478 3.913
47 HD2 TYR 7 2HD TYR 7 -11.428 -5.510 0.903
48 HE1 TYR 7 1HE TYR 7 -9.924 -5.126 5.567
49 HE2 TYR 7 2HE TYR 7 -12.152 -7.165 2.556
50 HH TYR 7 HH TYR 7 -11.664 -6.749 5.929
51 HA PRO 8 HA PRO 8 -6.831 -4.904 2.614
52 HB2 PRO 8 2HB PRO 8 -4.646 -6.443 2.588
53 HB3 PRO 8 1HB PRO 8 -6.253 -7.144 2.818
54 HG2 PRO 8 2HG PRO 8 -4.577 -7.013 0.343
55 HG3 PRO 8 1HG PRO 8 -5.493 -8.382 0.997
56 HD2 PRO 8 2HD PRO 8 -6.417 -6.778 -1.012
57 HD3 PRO 8 1HD PRO 8 -7.475 -7.629 0.131
58 HA PRO 9 HA PRO 9 -3.665 -1.865 1.448
59 HB2 PRO 9 2HB PRO 9 -2.432 -2.462 4.083
60 HB3 PRO 9 1HB PRO 9 -2.991 -0.913 3.448
61 HG2 PRO 9 2HG PRO 9 -4.364 -2.168 5.356
62 HG3 PRO 9 1HG PRO 9 -5.200 -1.313 4.045
63 HD2 PRO 9 2HD PRO 9 -4.737 -4.255 4.391
64 HD3 PRO 9 1HD PRO 9 -6.175 -3.387 3.820
65 H GLU 10 H GLU 10 -2.028 -2.376 0.151
66 HA GLU 10 HA GLU 10 -0.610 -4.877 0.674
67 HB2 GLU 10 2HB GLU 10 -0.947 -3.366 -1.917
68 HB3 GLU 10 1HB GLU 10 -0.103 -4.895 -1.729
69 HG2 GLU 10 2HG GLU 10 -2.239 -5.899 -0.928
70 HG3 GLU 10 1HG GLU 10 -3.037 -4.381 -1.309
71 H CYS 11 H CYS 11 1.578 -4.956 0.707
72 HA CYS 11 HA CYS 11 2.972 -2.387 0.537
73 HB2 CYS 11 2HB CYS 11 3.501 -4.656 2.460
74 HB3 CYS 11 1HB CYS 11 4.519 -3.238 2.280
75 H TRP 12 H TRP 12 4.826 -2.362 -0.537
76 HA TRP 12 HA TRP 12 5.613 -4.838 -1.907
77 HB2 TRP 12 2HB TRP 12 6.016 -1.934 -2.645
78 HB3 TRP 12 1HB TRP 12 6.828 -3.252 -3.474
79 HD1 TRP 12 HD TRP 12 5.482 -4.537 -5.310
80 HE1 TRP 12 1HE TRP 12 3.131 -4.244 -6.341
81 HE3 TRP 12 3HE TRP 12 3.514 -1.203 -1.967
82 HZ2 TRP 12 2HZ TRP 12 0.770 -2.803 -5.797
83 HZ3 TRP 12 3HZ TRP 12 1.211 -0.429 -2.303
84 HH2 TRP 12 HH TRP 12 -0.128 -1.220 -4.180
85 HA PRO 13 HA PRO 13 9.421 -4.676 0.408
86 HB2 PRO 13 2HB PRO 13 11.006 -6.163 -1.238
87 HB3 PRO 13 1HB PRO 13 9.764 -6.887 -0.210
88 HG2 PRO 13 2HG PRO 13 9.665 -6.234 -3.127
89 HG3 PRO 13 1HG PRO 13 9.055 -7.665 -2.279
90 HD2 PRO 13 2HD PRO 13 7.460 -5.615 -3.065
91 HD3 PRO 13 1HD PRO 13 7.116 -6.609 -1.635
92 H ASN 14 H ASN 14 9.263 -2.436 -0.270
93 HA ASN 14 HA ASN 14 11.678 -1.496 -1.598
94 HB2 ASN 14 2HB ASN 14 10.058 -1.533 -3.448
95 HB3 ASN 14 1HB ASN 14 8.883 -0.679 -2.462
96 HD21 ASN 14 1HD2 ASN 14 11.788 -0.406 -4.311
97 HD22 ASN 14 2HD2 ASN 14 11.851 1.299 -4.378
Start of MODEL 19
1 H1 GLY 1 H GLY 1 9.004 -1.541 0.139
2 HA2 GLY 1 2HA GLY 1 8.592 -0.368 2.063
3 HA3 GLY 1 1HA GLY 1 9.742 0.855 1.539
4 H PHE 2 H PHE 2 6.742 -0.406 0.161
5 HA PHE 2 HA PHE 2 5.624 2.284 0.355
6 HB2 PHE 2 2HB PHE 2 6.611 2.009 -1.926
7 HB3 PHE 2 1HB PHE 2 5.588 0.603 -2.173
8 HD1 PHE 2 1HD PHE 2 3.357 0.851 -2.929
9 HD2 PHE 2 2HD PHE 2 5.548 4.259 -1.628
10 HE1 PHE 2 1HE PHE 2 1.594 2.313 -3.809
11 HE2 PHE 2 2HE PHE 2 3.786 5.726 -2.506
12 HZ PHE 2 HZ PHE 2 1.805 4.759 -3.594
13 H CYS 3 H CYS 3 3.580 2.193 1.088
14 HA CYS 3 HA CYS 3 2.157 -0.365 0.893
15 HB2 CYS 3 2HB CYS 3 2.178 1.575 3.203
16 HB3 CYS 3 1HB CYS 3 1.156 0.149 3.086
17 H HIS 4 H HIS 4 0.192 -0.230 0.044
18 HA HIS 4 HA HIS 4 -0.910 2.457 -0.327
19 HB2 HIS 4 2HB HIS 4 -0.339 1.207 -2.440
20 HB3 HIS 4 1HB HIS 4 -1.519 -0.015 -1.980
21 HD1 HIS 4 1HD HIS 4 -1.209 3.075 -3.903
22 HD2 HIS 4 2HD HIS 4 -4.227 1.111 -1.836
23 HE1 HIS 4 1HE HIS 4 -3.349 4.057 -4.732
24 H ARG 5 H ARG 5 -2.731 2.874 0.702
25 HA ARG 5 HA ARG 5 -3.930 0.785 2.246
26 HB2 ARG 5 2HB ARG 5 -5.353 2.602 3.246
27 HB3 ARG 5 1HB ARG 5 -3.626 2.831 3.433
28 HG2 ARG 5 2HG ARG 5 -3.686 4.401 1.506
29 HG3 ARG 5 1HG ARG 5 -5.443 4.245 1.491
30 HD2 ARG 5 2HD ARG 5 -5.541 5.109 3.768
31 HD3 ARG 5 1HD ARG 5 -3.780 5.218 3.807
32 HE ARG 5 HE ARG 5 -5.131 6.671 1.696
33 HH11 ARG 5 1HH1 ARG 5 -3.622 6.853 4.882
34 HH12 ARG 5 2HH1 ARG 5 -3.373 8.540 4.829
35 HH21 ARG 5 1HH2 ARG 5 -4.826 8.939 1.619
36 HH22 ARG 5 2HH2 ARG 5 -4.107 9.783 2.919
37 H SER 6 H SER 6 -4.620 -0.447 0.557
38 HA SER 6 HA SER 6 -7.194 0.326 -0.620
39 HB2 SER 6 2HB SER 6 -6.544 -1.633 -2.177
40 HB3 SER 6 1HB SER 6 -5.662 -0.125 -2.390
41 HG SER 6 HG SER 6 -4.784 -2.509 -1.066
42 H TYR 7 H TYR 7 -8.129 -2.208 -1.177
43 HA TYR 7 HA TYR 7 -7.818 -3.631 1.339
44 HB2 TYR 7 2HB TYR 7 -10.159 -2.843 1.053
45 HB3 TYR 7 1HB TYR 7 -10.255 -3.726 -0.474
46 HD1 TYR 7 1HD TYR 7 -10.660 -6.099 -0.510
47 HD2 TYR 7 2HD TYR 7 -9.887 -4.119 3.178
48 HE1 TYR 7 1HE TYR 7 -11.256 -8.142 0.706
49 HE2 TYR 7 2HE TYR 7 -10.481 -6.133 4.396
50 HH TYR 7 HH TYR 7 -11.886 -8.210 3.985
51 HA PRO 8 HA PRO 8 -6.845 -5.066 2.140
52 HB2 PRO 8 2HB PRO 8 -4.619 -6.531 2.272
53 HB3 PRO 8 1HB PRO 8 -6.198 -7.318 2.154
54 HG2 PRO 8 2HG PRO 8 -4.191 -6.784 -0.008
55 HG3 PRO 8 1HG PRO 8 -5.078 -8.279 0.335
56 HD2 PRO 8 2HD PRO 8 -5.835 -6.509 -1.578
57 HD3 PRO 8 1HD PRO 8 -6.986 -7.531 -0.696
58 HA PRO 9 HA PRO 9 -3.694 -1.951 1.454
59 HB2 PRO 9 2HB PRO 9 -2.753 -1.595 4.001
60 HB3 PRO 9 1HB PRO 9 -4.292 -0.929 3.446
61 HG2 PRO 9 2HG PRO 9 -3.758 -3.305 5.137
62 HG3 PRO 9 1HG PRO 9 -5.123 -2.181 5.179
63 HD2 PRO 9 2HD PRO 9 -5.179 -4.715 4.045
64 HD3 PRO 9 1HD PRO 9 -6.309 -3.405 3.664
65 H GLU 10 H GLU 10 -2.186 -2.993 0.265
66 HA GLU 10 HA GLU 10 -0.473 -4.882 1.629
67 HB2 GLU 10 2HB GLU 10 0.230 -5.628 -0.615
68 HB3 GLU 10 1HB GLU 10 -1.499 -5.757 -0.356
69 HG2 GLU 10 2HG GLU 10 -1.847 -3.723 -1.666
70 HG3 GLU 10 1HG GLU 10 -0.105 -3.589 -1.913
71 H CYS 11 H CYS 11 1.761 -4.908 1.350
72 HA CYS 11 HA CYS 11 2.953 -2.299 0.765
73 HB2 CYS 11 2HB CYS 11 3.714 -4.250 2.945
74 HB3 CYS 11 1HB CYS 11 4.621 -2.803 2.528
75 H TRP 12 H TRP 12 4.747 -2.313 -0.400
76 HA TRP 12 HA TRP 12 5.551 -4.863 -1.585
77 HB2 TRP 12 2HB TRP 12 5.834 -2.015 -2.568
78 HB3 TRP 12 1HB TRP 12 6.539 -3.421 -3.360
79 HD1 TRP 12 HD TRP 12 4.975 -4.925 -4.810
80 HE1 TRP 12 1HE TRP 12 2.556 -4.662 -5.652
81 HE3 TRP 12 3HE TRP 12 3.475 -1.060 -1.842
82 HZ2 TRP 12 2HZ TRP 12 0.326 -3.039 -5.146
83 HZ3 TRP 12 3HZ TRP 12 1.191 -0.211 -2.084
84 HH2 TRP 12 HH TRP 12 -0.354 -1.187 -3.706
85 HA PRO 13 HA PRO 13 9.519 -4.954 0.372
86 HB2 PRO 13 2HB PRO 13 10.711 -5.297 -2.331
87 HB3 PRO 13 1HB PRO 13 10.897 -6.301 -0.890
88 HG2 PRO 13 2HG PRO 13 9.356 -7.123 -2.859
89 HG3 PRO 13 1HG PRO 13 8.819 -7.320 -1.181
90 HD2 PRO 13 2HD PRO 13 7.981 -5.288 -3.211
91 HD3 PRO 13 1HD PRO 13 6.998 -6.192 -2.038
92 H ASN 14 H ASN 14 9.081 -2.701 -2.233
93 HA ASN 14 HA ASN 14 11.583 -1.366 -1.702
94 HB2 ASN 14 2HB ASN 14 9.339 -0.743 -3.598
95 HB3 ASN 14 1HB ASN 14 10.564 0.460 -3.243
96 HD21 ASN 14 1HD2 ASN 14 9.876 -2.505 -4.870
97 HD22 ASN 14 2HD2 ASN 14 11.370 -2.621 -5.715
Start of MODEL 20
1 H1 GLY 1 H GLY 1 9.046 -1.508 1.031
2 HA2 GLY 1 2HA GLY 1 8.600 -0.462 3.033
3 HA3 GLY 1 1HA GLY 1 9.755 0.788 2.568
4 H PHE 2 H PHE 2 6.896 -0.276 0.834
5 HA PHE 2 HA PHE 2 5.530 2.200 1.370
6 HB2 PHE 2 2HB PHE 2 7.118 2.706 -0.500
7 HB3 PHE 2 1HB PHE 2 6.340 1.447 -1.446
8 HD1 PHE 2 1HD PHE 2 5.497 4.517 0.473
9 HD2 PHE 2 2HD PHE 2 4.652 2.049 -2.886
10 HE1 PHE 2 1HE PHE 2 3.849 6.143 -0.298
11 HE2 PHE 2 2HE PHE 2 2.994 3.677 -3.660
12 HZ PHE 2 HZ PHE 2 2.588 5.726 -2.366
13 H CYS 3 H CYS 3 3.359 1.851 1.310
14 HA CYS 3 HA CYS 3 2.445 -0.628 0.050
15 HB2 CYS 3 2HB CYS 3 1.423 0.545 2.649
16 HB3 CYS 3 1HB CYS 3 0.833 -0.911 1.866
17 H HIS 4 H HIS 4 0.168 -0.619 -0.454
18 HA HIS 4 HA HIS 4 -0.764 1.968 -1.468
19 HB2 HIS 4 2HB HIS 4 -0.542 -0.074 -2.960
20 HB3 HIS 4 1HB HIS 4 -1.787 -0.825 -1.976
21 HD1 HIS 4 1HD HIS 4 -4.105 -0.581 -2.874
22 HD2 HIS 4 2HD HIS 4 -1.538 2.396 -4.226
23 HE1 HIS 4 1HE HIS 4 -5.426 0.784 -4.545
24 H ARG 5 H ARG 5 -2.538 2.931 -0.541
25 HA ARG 5 HA ARG 5 -3.690 1.649 1.753
26 HB2 ARG 5 2HB ARG 5 -4.411 4.290 0.466
27 HB3 ARG 5 1HB ARG 5 -5.134 3.676 1.943
28 HG2 ARG 5 2HG ARG 5 -2.866 3.679 2.972
29 HG3 ARG 5 1HG ARG 5 -2.261 4.470 1.517
30 HD2 ARG 5 2HD ARG 5 -4.394 5.532 3.375
31 HD3 ARG 5 1HD ARG 5 -2.732 6.099 3.274
32 HE ARG 5 HE ARG 5 -3.927 6.301 0.742
33 HH11 ARG 5 1HH1 ARG 5 -4.008 7.915 3.912
34 HH12 ARG 5 2HH1 ARG 5 -4.653 9.362 3.291
35 HH21 ARG 5 1HH2 ARG 5 -4.756 8.301 -0.083
36 HH22 ARG 5 2HH2 ARG 5 -5.083 9.593 0.965
37 H SER 6 H SER 6 -4.663 -0.096 1.058
38 HA SER 6 HA SER 6 -7.281 0.245 -0.119
39 HB2 SER 6 2HB SER 6 -6.740 -1.870 -1.492
40 HB3 SER 6 1HB SER 6 -6.033 -0.358 -2.059
41 HG SER 6 HG SER 6 -4.739 -2.441 -1.745
42 H TYR 7 H TYR 7 -8.080 -2.434 -0.020
43 HA TYR 7 HA TYR 7 -7.115 -3.392 2.528
44 HB2 TYR 7 2HB TYR 7 -9.196 -2.030 2.904
45 HB3 TYR 7 1HB TYR 7 -10.059 -3.183 1.893
46 HD1 TYR 7 1HD TYR 7 -10.620 -5.398 2.736
47 HD2 TYR 7 2HD TYR 7 -8.372 -2.675 5.091
48 HE1 TYR 7 1HE TYR 7 -10.979 -6.816 4.705
49 HE2 TYR 7 2HE TYR 7 -8.719 -4.065 7.061
50 HH TYR 7 HH TYR 7 -10.304 -5.749 7.857
51 HA PRO 8 HA PRO 8 -6.203 -4.982 3.201
52 HB2 PRO 8 2HB PRO 8 -4.406 -6.928 1.964
53 HB3 PRO 8 1HB PRO 8 -5.187 -6.994 3.543
54 HG2 PRO 8 2HG PRO 8 -5.873 -8.645 1.529
55 HG3 PRO 8 1HG PRO 8 -7.043 -8.066 2.729
56 HD2 PRO 8 2HD PRO 8 -6.563 -7.085 -0.064
57 HD3 PRO 8 1HD PRO 8 -8.098 -7.396 0.771
58 HA PRO 9 HA PRO 9 -3.484 -2.132 1.047
59 HB2 PRO 9 2HB PRO 9 -1.560 -2.759 3.225
60 HB3 PRO 9 1HB PRO 9 -2.173 -1.192 2.689
61 HG2 PRO 9 2HG PRO 9 -3.032 -2.280 4.959
62 HG3 PRO 9 1HG PRO 9 -4.138 -1.399 3.889
63 HD2 PRO 9 2HD PRO 9 -3.840 -4.342 4.291
64 HD3 PRO 9 1HD PRO 9 -5.298 -3.369 4.010
65 H GLU 10 H GLU 10 -2.214 -2.540 -0.624
66 HA GLU 10 HA GLU 10 -0.692 -4.984 -0.868
67 HB2 GLU 10 2HB GLU 10 -1.005 -2.574 -2.668
68 HB3 GLU 10 1HB GLU 10 0.073 -3.904 -3.041
69 HG2 GLU 10 2HG GLU 10 -2.869 -4.227 -2.580
70 HG3 GLU 10 1HG GLU 10 -2.142 -3.982 -4.169
71 H CYS 11 H CYS 11 1.139 -5.097 0.278
72 HA CYS 11 HA CYS 11 2.743 -2.685 0.425
73 HB2 CYS 11 2HB CYS 11 2.745 -5.165 2.111
74 HB3 CYS 11 1HB CYS 11 4.059 -3.992 2.166
75 H TRP 12 H TRP 12 4.397 -2.399 -0.744
76 HA TRP 12 HA TRP 12 5.515 -4.645 -2.215
77 HB2 TRP 12 2HB TRP 12 5.863 -1.648 -2.533
78 HB3 TRP 12 1HB TRP 12 6.579 -2.865 -3.580
79 HD1 TRP 12 HD TRP 12 4.672 -4.461 -4.901
80 HE1 TRP 12 1HE TRP 12 2.494 -3.699 -6.013
81 HE3 TRP 12 3HE TRP 12 4.045 -0.025 -2.468
82 HZ2 TRP 12 2HZ TRP 12 0.728 -1.498 -5.882
83 HZ3 TRP 12 3HZ TRP 12 2.083 1.360 -3.030
84 HH2 TRP 12 HH TRP 12 0.466 0.631 -4.703
85 HA PRO 13 HA PRO 13 9.034 -4.730 0.489
86 HB2 PRO 13 2HB PRO 13 11.008 -5.509 -1.189
87 HB3 PRO 13 1HB PRO 13 9.686 -6.589 -0.723
88 HG2 PRO 13 2HG PRO 13 9.962 -4.901 -3.187
89 HG3 PRO 13 1HG PRO 13 9.555 -6.622 -3.070
90 HD2 PRO 13 2HD PRO 13 7.647 -4.787 -3.393
91 HD3 PRO 13 1HD PRO 13 7.391 -6.184 -2.328
92 H ASN 14 H ASN 14 8.492 -2.188 -1.073
93 HA ASN 14 HA ASN 14 11.178 -0.995 -1.323
94 HB2 ASN 14 2HB ASN 14 8.482 0.090 -2.205
95 HB3 ASN 14 1HB ASN 14 10.034 0.859 -2.482
96 HD21 ASN 14 1HD2 ASN 14 9.722 0.889 -4.679
97 HD22 ASN 14 2HD2 ASN 14 9.809 -0.522 -5.668
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