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 |
|
|
647502 |
6u7r   |
30667 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -7.852 0.300 0.503
2 HA2 GLY 1 2HA GLY 1 -7.698 0.009 2.866
3 HA3 GLY 1 1HA GLY 1 -8.628 -1.466 2.701
4 H LYS 2 H LYS 2 -6.559 -1.736 0.256
5 HA LYS 2 HA LYS 2 -4.837 -3.507 1.815
6 HB2 LYS 2 2HB LYS 2 -4.955 -3.050 -1.161
7 HB3 LYS 2 1HB LYS 2 -4.034 -4.292 -0.344
8 HG2 LYS 2 2HG LYS 2 -7.052 -4.130 -0.364
9 HG3 LYS 2 1HG LYS 2 -6.102 -5.095 -1.479
10 HD2 LYS 2 2HD LYS 2 -6.791 -6.635 0.141
11 HD3 LYS 2 1HD LYS 2 -5.154 -6.234 0.634
12 HE2 LYS 2 2HE LYS 2 -6.046 -4.719 2.373
13 HE3 LYS 2 1HE LYS 2 -7.676 -5.039 1.795
14 HZ1 LYS 2 1HZ LYS 2 -7.115 -6.296 3.757
15 HZ2 LYS 2 2HZ LYS 2 -5.834 -7.042 2.950
16 HZ3 LYS 2 3HZ LYS 2 -7.411 -7.320 2.451
17 H CYS 3 H CYS 3 -2.950 -3.034 2.520
18 HA CYS 3 HA CYS 3 -1.579 -0.787 1.274
19 HB2 CYS 3 2HB CYS 3 -1.196 -2.054 3.991
20 HB3 CYS 3 1HB CYS 3 -0.162 -0.793 3.324
21 H LEU 4 H LEU 4 0.137 -1.077 0.185
22 HA LEU 4 HA LEU 4 1.218 -3.766 -0.116
23 HB2 LEU 4 2HB LEU 4 0.464 -2.633 -2.114
24 HB3 LEU 4 1HB LEU 4 1.441 -1.233 -1.736
25 HG LEU 4 HG LEU 4 3.477 -2.601 -2.117
26 HD11 LEU 4 1HD1 LEU 4 3.261 -4.757 -3.242
27 HD12 LEU 4 2HD1 LEU 4 1.512 -4.695 -3.016
28 HD13 LEU 4 3HD1 LEU 4 2.583 -4.797 -1.616
29 HD21 LEU 4 1HD2 LEU 4 1.501 -2.526 -4.388
30 HD22 LEU 4 2HD2 LEU 4 3.248 -2.693 -4.550
31 HD23 LEU 4 3HD2 LEU 4 2.563 -1.211 -3.884
32 H PHE 5 H PHE 5 3.227 -4.214 0.597
33 HA PHE 5 HA PHE 5 4.591 -2.346 2.209
34 HB2 PHE 5 2HB PHE 5 4.770 -4.783 2.623
35 HB3 PHE 5 1HB PHE 5 5.624 -4.969 1.094
36 HD1 PHE 5 1HD PHE 5 7.943 -4.747 1.010
37 HD2 PHE 5 2HD PHE 5 5.837 -3.245 4.384
38 HE1 PHE 5 1HE PHE 5 10.081 -4.274 2.131
39 HE2 PHE 5 2HE PHE 5 7.965 -2.771 5.506
40 HZ PHE 5 HZ PHE 5 10.092 -3.285 4.380
41 H SER 6 H SER 6 5.500 -0.695 1.473
42 HA SER 6 HA SER 6 7.546 -0.744 -0.495
43 HB2 SER 6 2HB SER 6 5.026 0.934 -0.901
44 HB3 SER 6 1HB SER 6 6.472 0.995 -1.907
45 HG SER 6 HG SER 6 5.572 -1.514 -1.671
46 H ASN 7 H ASN 7 8.136 1.852 -0.570
47 HA ASN 7 HA ASN 7 7.414 2.997 1.981
48 HB2 ASN 7 2HB ASN 7 9.595 1.876 2.336
49 HB3 ASN 7 1HB ASN 7 10.281 2.816 1.014
50 HD21 ASN 7 1HD2 ASN 7 11.794 3.730 2.395
51 HD22 ASN 7 2HD2 ASN 7 11.379 4.965 3.513
52 HA PRO 8 HA PRO 8 6.498 4.592 2.639
53 HB2 PRO 8 2HB PRO 8 4.314 6.099 2.089
54 HB3 PRO 8 1HB PRO 8 5.838 6.801 2.638
55 HG2 PRO 8 2HG PRO 8 4.710 6.646 -0.120
56 HG3 PRO 8 1HG PRO 8 5.581 7.974 0.666
57 HD2 PRO 8 2HD PRO 8 6.731 6.230 -1.103
58 HD3 PRO 8 1HD PRO 8 7.629 7.085 0.162
59 HA PRO 9 HA PRO 9 4.014 1.135 1.395
60 HB2 PRO 9 2HB PRO 9 2.080 1.264 3.383
61 HB3 PRO 9 1HB PRO 9 3.659 0.485 3.544
62 HG2 PRO 9 2HG PRO 9 2.797 3.208 4.413
63 HG3 PRO 9 1HG PRO 9 3.838 2.038 5.247
64 HD2 PRO 9 2HD PRO 9 4.875 4.137 3.983
65 HD3 PRO 9 1HD PRO 9 5.680 2.552 3.922
66 H ILE 10 H ILE 10 2.711 1.148 -0.252
67 HA ILE 10 HA ILE 10 0.951 3.366 -0.726
68 HB ILE 10 HB ILE 10 1.299 0.826 -2.352
69 HG12 ILE 10 2HG1 ILE 10 2.599 3.539 -2.729
70 HG13 ILE 10 1HG1 ILE 10 3.410 2.128 -2.063
71 HG21 ILE 10 1HG2 ILE 10 0.117 3.514 -3.080
72 HG22 ILE 10 2HG2 ILE 10 -0.790 2.025 -2.821
73 HG23 ILE 10 3HG2 ILE 10 0.326 2.152 -4.181
74 HD11 ILE 10 1HD1 ILE 10 3.114 0.964 -4.187
75 HD12 ILE 10 2HD1 ILE 10 3.987 2.484 -4.397
76 HD13 ILE 10 3HD1 ILE 10 2.283 2.375 -4.840
77 H CYS 11 H CYS 11 -0.813 3.398 0.398
78 HA CYS 11 HA CYS 11 -2.291 0.920 0.773
79 HB2 CYS 11 2HB CYS 11 -2.475 3.570 2.200
80 HB3 CYS 11 1HB CYS 11 -3.583 2.228 2.485
81 H PHE 12 H PHE 12 -3.709 0.540 -0.612
82 HA PHE 12 HA PHE 12 -4.695 2.540 -2.392
83 HB2 PHE 12 2HB PHE 12 -5.371 -0.400 -2.087
84 HB3 PHE 12 1HB PHE 12 -5.930 0.624 -3.401
85 HD1 PHE 12 1HD PHE 12 -2.987 -1.051 -1.930
86 HD2 PHE 12 2HD PHE 12 -4.479 1.208 -5.219
87 HE1 PHE 12 1HE PHE 12 -0.978 -1.606 -3.222
88 HE2 PHE 12 2HE PHE 12 -2.469 0.658 -6.509
89 HZ PHE 12 HZ PHE 12 -0.714 -0.753 -5.517
90 HA PRO 13 HA PRO 13 -8.419 3.740 -0.249
91 HB2 PRO 13 2HB PRO 13 -9.881 3.284 -2.803
92 HB3 PRO 13 1HB PRO 13 -9.790 4.742 -1.810
93 HG2 PRO 13 2HG PRO 13 -8.433 4.613 -4.082
94 HG3 PRO 13 1HG PRO 13 -7.697 5.335 -2.640
95 HD2 PRO 13 2HD PRO 13 -7.262 2.629 -3.836
96 HD3 PRO 13 1HD PRO 13 -6.082 3.781 -3.172
97 H ASN 14 H ASN 14 -8.317 0.777 -1.952
98 HA ASN 14 HA ASN 14 -10.792 -0.262 -0.938
99 HB2 ASN 14 2HB ASN 14 -10.027 -2.433 -1.901
100 HB3 ASN 14 1HB ASN 14 -10.021 -1.118 -3.065
101 HD21 ASN 14 1HD2 ASN 14 -8.524 -2.077 -4.407
102 HD22 ASN 14 2HD2 ASN 14 -6.873 -2.310 -3.956
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -7.962 0.085 0.548
2 HA2 GLY 1 2HA GLY 1 -7.936 0.004 2.908
3 HA3 GLY 1 1HA GLY 1 -9.065 -1.344 2.856
4 H LYS 2 H LYS 2 -6.394 -1.391 0.675
5 HA LYS 2 HA LYS 2 -4.961 -3.169 2.497
6 HB2 LYS 2 2HB LYS 2 -5.492 -3.664 -0.442
7 HB3 LYS 2 1HB LYS 2 -4.374 -4.606 0.530
8 HG2 LYS 2 2HG LYS 2 -7.351 -4.397 0.970
9 HG3 LYS 2 1HG LYS 2 -6.503 -5.759 0.238
10 HD2 LYS 2 2HD LYS 2 -5.309 -6.158 2.338
11 HD3 LYS 2 1HD LYS 2 -6.101 -4.762 3.067
12 HE2 LYS 2 2HE LYS 2 -8.283 -5.859 2.727
13 HE3 LYS 2 1HE LYS 2 -7.451 -7.267 2.072
14 HZ1 LYS 2 1HZ LYS 2 -7.194 -6.224 4.855
15 HZ2 LYS 2 2HZ LYS 2 -6.337 -7.522 4.225
16 HZ3 LYS 2 3HZ LYS 2 -7.999 -7.621 4.374
17 H CYS 3 H CYS 3 -2.806 -2.981 2.527
18 HA CYS 3 HA CYS 3 -1.720 -0.792 0.915
19 HB2 CYS 3 2HB CYS 3 -0.854 -1.742 3.645
20 HB3 CYS 3 1HB CYS 3 -0.142 -0.410 2.745
21 H LEU 4 H LEU 4 -0.118 -1.159 -0.360
22 HA LEU 4 HA LEU 4 1.211 -3.742 -0.474
23 HB2 LEU 4 2HB LEU 4 0.531 -2.691 -2.550
24 HB3 LEU 4 1HB LEU 4 1.369 -1.210 -2.134
25 HG LEU 4 HG LEU 4 3.522 -2.481 -2.310
26 HD11 LEU 4 1HD1 LEU 4 1.757 -4.626 -3.452
27 HD12 LEU 4 2HD1 LEU 4 2.655 -4.717 -1.936
28 HD13 LEU 4 3HD1 LEU 4 3.518 -4.614 -3.471
29 HD21 LEU 4 1HD2 LEU 4 3.542 -2.524 -4.753
30 HD22 LEU 4 2HD2 LEU 4 2.719 -1.091 -4.137
31 HD23 LEU 4 3HD2 LEU 4 1.779 -2.443 -4.769
32 H PHE 5 H PHE 5 3.154 -4.037 0.553
33 HA PHE 5 HA PHE 5 4.188 -1.870 2.070
34 HB2 PHE 5 2HB PHE 5 4.301 -4.208 2.916
35 HB3 PHE 5 1HB PHE 5 5.440 -4.589 1.625
36 HD1 PHE 5 1HD PHE 5 7.738 -4.005 1.788
37 HD2 PHE 5 2HD PHE 5 4.962 -2.626 4.701
38 HE1 PHE 5 1HE PHE 5 9.595 -3.253 3.202
39 HE2 PHE 5 2HE PHE 5 6.824 -1.874 6.117
40 HZ PHE 5 HZ PHE 5 9.135 -2.183 5.371
41 H SER 6 H SER 6 5.643 -0.499 1.602
42 HA SER 6 HA SER 6 7.779 -0.808 -0.206
43 HB2 SER 6 2HB SER 6 5.517 1.137 -0.869
44 HB3 SER 6 1HB SER 6 7.046 1.011 -1.729
45 HG SER 6 HG SER 6 5.854 -1.379 -1.613
46 H ASN 7 H ASN 7 8.617 1.777 -0.253
47 HA ASN 7 HA ASN 7 7.645 2.979 2.171
48 HB2 ASN 7 2HB ASN 7 9.900 3.642 2.937
49 HB3 ASN 7 1HB ASN 7 9.701 1.904 2.914
50 HD21 ASN 7 1HD2 ASN 7 12.079 3.480 2.968
51 HD22 ASN 7 2HD2 ASN 7 13.028 3.026 1.597
52 HA PRO 8 HA PRO 8 6.595 4.543 2.792
53 HB2 PRO 8 2HB PRO 8 4.545 6.044 1.325
54 HB3 PRO 8 1HB PRO 8 5.290 6.423 2.876
55 HG2 PRO 8 2HG PRO 8 5.787 7.884 0.677
56 HG3 PRO 8 1HG PRO 8 7.028 7.591 1.911
57 HD2 PRO 8 2HD PRO 8 6.626 6.219 -0.726
58 HD3 PRO 8 1HD PRO 8 8.127 6.831 0.002
59 HA PRO 9 HA PRO 9 4.169 1.146 1.134
60 HB2 PRO 9 2HB PRO 9 2.161 1.744 3.234
61 HB3 PRO 9 1HB PRO 9 3.066 0.256 2.949
62 HG2 PRO 9 2HG PRO 9 3.649 1.839 5.019
63 HG3 PRO 9 1HG PRO 9 4.923 1.002 4.116
64 HD2 PRO 9 2HD PRO 9 4.068 3.864 3.978
65 HD3 PRO 9 1HD PRO 9 5.702 3.161 3.941
66 H ILE 10 H ILE 10 2.510 0.933 -0.312
67 HA ILE 10 HA ILE 10 1.024 3.383 -0.871
68 HB ILE 10 HB ILE 10 1.242 0.858 -2.555
69 HG12 ILE 10 2HG1 ILE 10 2.652 3.520 -2.894
70 HG13 ILE 10 1HG1 ILE 10 3.415 2.051 -2.293
71 HG21 ILE 10 1HG2 ILE 10 0.150 3.598 -3.226
72 HG22 ILE 10 2HG2 ILE 10 -0.799 2.129 -3.001
73 HG23 ILE 10 3HG2 ILE 10 0.318 2.257 -4.361
74 HD11 ILE 10 1HD1 ILE 10 2.248 2.452 -5.042
75 HD12 ILE 10 2HD1 ILE 10 3.024 0.980 -4.458
76 HD13 ILE 10 3HD1 ILE 10 3.962 2.464 -4.626
77 H CYS 11 H CYS 11 -0.779 3.479 0.272
78 HA CYS 11 HA CYS 11 -2.284 1.039 0.688
79 HB2 CYS 11 2HB CYS 11 -2.517 3.754 1.986
80 HB3 CYS 11 1HB CYS 11 -3.628 2.421 2.291
81 H PHE 12 H PHE 12 -3.758 0.529 -0.633
82 HA PHE 12 HA PHE 12 -4.805 2.461 -2.471
83 HB2 PHE 12 2HB PHE 12 -5.329 -0.508 -2.149
84 HB3 PHE 12 1HB PHE 12 -5.941 0.494 -3.457
85 HD1 PHE 12 1HD PHE 12 -4.503 1.217 -5.249
86 HD2 PHE 12 2HD PHE 12 -2.982 -1.147 -2.055
87 HE1 PHE 12 1HE PHE 12 -2.485 0.734 -6.569
88 HE2 PHE 12 2HE PHE 12 -0.968 -1.632 -3.365
89 HZ PHE 12 HZ PHE 12 -0.709 -0.696 -5.626
90 HA PRO 13 HA PRO 13 -8.410 3.527 -0.089
91 HB2 PRO 13 2HB PRO 13 -9.866 3.315 -2.683
92 HB3 PRO 13 1HB PRO 13 -9.830 4.644 -1.518
93 HG2 PRO 13 2HG PRO 13 -8.437 4.839 -3.749
94 HG3 PRO 13 1HG PRO 13 -7.724 5.362 -2.212
95 HD2 PRO 13 2HD PRO 13 -7.229 2.852 -3.767
96 HD3 PRO 13 1HD PRO 13 -6.085 3.905 -2.916
97 H ASN 14 H ASN 14 -8.283 0.583 -1.850
98 HA ASN 14 HA ASN 14 -10.858 -0.386 -1.063
99 HB2 ASN 14 2HB ASN 14 -10.235 -2.531 -1.934
100 HB3 ASN 14 1HB ASN 14 -9.586 -1.336 -3.034
101 HD21 ASN 14 1HD2 ASN 14 -8.841 -4.076 -2.642
102 HD22 ASN 14 2HD2 ASN 14 -7.175 -4.115 -2.231
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -8.090 -0.070 0.512
2 HA2 GLY 1 2HA GLY 1 -7.829 -0.361 2.859
3 HA3 GLY 1 1HA GLY 1 -9.009 -1.666 2.790
4 H LYS 2 H LYS 2 -6.097 -0.996 0.922
5 HA LYS 2 HA LYS 2 -4.841 -3.365 2.004
6 HB2 LYS 2 2HB LYS 2 -6.119 -4.240 0.106
7 HB3 LYS 2 1HB LYS 2 -5.438 -3.013 -0.938
8 HG2 LYS 2 2HG LYS 2 -4.432 -5.241 -1.279
9 HG3 LYS 2 1HG LYS 2 -3.254 -4.021 -0.804
10 HD2 LYS 2 2HD LYS 2 -2.845 -6.111 0.366
11 HD3 LYS 2 1HD LYS 2 -3.319 -4.841 1.486
12 HE2 LYS 2 2HE LYS 2 -4.425 -6.862 2.119
13 HE3 LYS 2 1HE LYS 2 -5.637 -5.774 1.458
14 HZ1 LYS 2 1HZ LYS 2 -4.372 -8.072 0.088
15 HZ2 LYS 2 2HZ LYS 2 -5.444 -7.011 -0.667
16 HZ3 LYS 2 3HZ LYS 2 -5.973 -7.982 0.598
17 H CYS 3 H CYS 3 -2.793 -2.888 2.424
18 HA CYS 3 HA CYS 3 -1.604 -0.625 1.023
19 HB2 CYS 3 2HB CYS 3 -0.882 -1.819 3.700
20 HB3 CYS 3 1HB CYS 3 -0.085 -0.448 2.944
21 H LEU 4 H LEU 4 0.028 -0.886 -0.198
22 HA LEU 4 HA LEU 4 1.278 -3.479 -0.506
23 HB2 LEU 4 2HB LEU 4 0.674 -2.183 -2.481
24 HB3 LEU 4 1HB LEU 4 1.606 -0.818 -1.907
25 HG LEU 4 HG LEU 4 3.676 -2.134 -2.220
26 HD11 LEU 4 1HD1 LEU 4 2.767 -4.370 -1.946
27 HD12 LEU 4 2HD1 LEU 4 3.595 -4.216 -3.496
28 HD13 LEU 4 3HD1 LEU 4 1.833 -4.188 -3.431
29 HD21 LEU 4 1HD2 LEU 4 2.915 -0.641 -3.956
30 HD22 LEU 4 2HD2 LEU 4 1.876 -1.899 -4.618
31 HD23 LEU 4 3HD2 LEU 4 3.629 -2.082 -4.678
32 H PHE 5 H PHE 5 3.145 -3.940 0.517
33 HA PHE 5 HA PHE 5 4.194 -1.935 2.246
34 HB2 PHE 5 2HB PHE 5 4.914 -4.851 1.949
35 HB3 PHE 5 1HB PHE 5 5.710 -3.766 3.082
36 HD1 PHE 5 1HD PHE 5 4.559 -2.930 5.037
37 HD2 PHE 5 2HD PHE 5 2.600 -5.558 2.319
38 HE1 PHE 5 1HE PHE 5 2.786 -3.322 6.691
39 HE2 PHE 5 2HE PHE 5 0.831 -5.951 3.966
40 HZ PHE 5 HZ PHE 5 0.915 -4.834 6.159
41 H SER 6 H SER 6 4.905 -0.520 0.824
42 HA SER 6 HA SER 6 7.545 -1.040 -0.315
43 HB2 SER 6 2HB SER 6 6.927 1.005 -1.703
44 HB3 SER 6 1HB SER 6 5.953 -0.429 -2.032
45 HG SER 6 HG SER 6 5.236 1.981 -0.837
46 H ASN 7 H ASN 7 8.490 1.536 -0.392
47 HA ASN 7 HA ASN 7 7.842 2.770 2.145
48 HB2 ASN 7 2HB ASN 7 9.888 1.357 2.493
49 HB3 ASN 7 1HB ASN 7 10.694 2.281 1.230
50 HD21 ASN 7 1HD2 ASN 7 11.421 4.354 1.692
51 HD22 ASN 7 2HD2 ASN 7 11.434 4.997 3.288
52 HA PRO 8 HA PRO 8 6.978 4.451 2.664
53 HB2 PRO 8 2HB PRO 8 4.990 6.151 1.907
54 HB3 PRO 8 1HB PRO 8 6.503 6.707 2.625
55 HG2 PRO 8 2HG PRO 8 5.651 6.680 -0.230
56 HG3 PRO 8 1HG PRO 8 6.590 7.894 0.647
57 HD2 PRO 8 2HD PRO 8 7.698 6.032 -1.034
58 HD3 PRO 8 1HD PRO 8 8.566 6.781 0.315
59 HA PRO 9 HA PRO 9 4.122 1.323 1.245
60 HB2 PRO 9 2HB PRO 9 2.331 2.225 3.434
61 HB3 PRO 9 1HB PRO 9 3.007 0.623 3.129
62 HG2 PRO 9 2HG PRO 9 3.934 2.137 5.114
63 HG3 PRO 9 1HG PRO 9 5.027 1.137 4.138
64 HD2 PRO 9 2HD PRO 9 4.537 4.084 4.013
65 HD3 PRO 9 1HD PRO 9 6.058 3.171 3.863
66 H ILE 10 H ILE 10 2.417 1.199 -0.081
67 HA ILE 10 HA ILE 10 0.931 3.680 -0.598
68 HB ILE 10 HB ILE 10 1.225 1.262 -2.411
69 HG12 ILE 10 2HG1 ILE 10 2.676 3.924 -2.534
70 HG13 ILE 10 1HG1 ILE 10 3.394 2.410 -2.013
71 HG21 ILE 10 1HG2 ILE 10 0.352 2.771 -4.143
72 HG22 ILE 10 2HG2 ILE 10 0.177 4.049 -2.941
73 HG23 ILE 10 3HG2 ILE 10 -0.793 2.583 -2.815
74 HD11 ILE 10 1HD1 ILE 10 2.317 2.988 -4.765
75 HD12 ILE 10 2HD1 ILE 10 3.067 1.482 -4.242
76 HD13 ILE 10 3HD1 ILE 10 4.016 2.967 -4.297
77 H CYS 11 H CYS 11 -0.951 3.656 0.446
78 HA CYS 11 HA CYS 11 -2.324 1.103 0.696
79 HB2 CYS 11 2HB CYS 11 -2.788 3.695 2.184
80 HB3 CYS 11 1HB CYS 11 -3.719 2.221 2.403
81 H PHE 12 H PHE 12 -3.899 0.619 -0.512
82 HA PHE 12 HA PHE 12 -4.974 2.610 -2.311
83 HB2 PHE 12 2HB PHE 12 -5.248 -0.406 -2.225
84 HB3 PHE 12 1HB PHE 12 -5.939 0.619 -3.475
85 HD1 PHE 12 1HD PHE 12 -4.459 1.821 -5.038
86 HD2 PHE 12 2HD PHE 12 -2.918 -0.980 -2.228
87 HE1 PHE 12 1HE PHE 12 -2.359 1.693 -6.317
88 HE2 PHE 12 2HE PHE 12 -0.829 -1.115 -3.501
89 HZ PHE 12 HZ PHE 12 -0.539 0.224 -5.548
90 HA PRO 13 HA PRO 13 -8.700 3.410 -0.178
91 HB2 PRO 13 2HB PRO 13 -10.506 3.515 -2.243
92 HB3 PRO 13 1HB PRO 13 -9.369 4.805 -1.841
93 HG2 PRO 13 2HG PRO 13 -9.154 2.662 -3.916
94 HG3 PRO 13 1HG PRO 13 -8.762 4.384 -4.048
95 HD2 PRO 13 2HD PRO 13 -6.843 2.565 -3.714
96 HD3 PRO 13 1HD PRO 13 -6.756 4.142 -2.905
97 H ASN 14 H ASN 14 -8.396 0.427 -1.720
98 HA ASN 14 HA ASN 14 -11.041 -0.522 -1.008
99 HB2 ASN 14 2HB ASN 14 -10.305 -2.711 -1.844
100 HB3 ASN 14 1HB ASN 14 -9.924 -1.456 -3.011
101 HD21 ASN 14 1HD2 ASN 14 -8.797 -4.114 -2.665
102 HD22 ASN 14 2HD2 ASN 14 -7.107 -3.904 -2.452
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -7.964 -0.148 0.335
2 HA2 GLY 1 2HA GLY 1 -8.173 -0.543 2.698
3 HA3 GLY 1 1HA GLY 1 -9.032 -2.028 2.325
4 H LYS 2 H LYS 2 -6.513 -1.849 0.166
5 HA LYS 2 HA LYS 2 -4.938 -3.585 1.924
6 HB2 LYS 2 2HB LYS 2 -4.943 -3.443 -1.099
7 HB3 LYS 2 1HB LYS 2 -4.013 -4.571 -0.128
8 HG2 LYS 2 2HG LYS 2 -7.027 -4.456 -0.301
9 HG3 LYS 2 1HG LYS 2 -5.978 -5.631 -1.094
10 HD2 LYS 2 2HD LYS 2 -5.266 -6.497 1.060
11 HD3 LYS 2 1HD LYS 2 -6.208 -5.262 1.894
12 HE2 LYS 2 2HE LYS 2 -7.404 -7.379 1.917
13 HE3 LYS 2 1HE LYS 2 -8.267 -6.193 0.945
14 HZ1 LYS 2 1HZ LYS 2 -8.218 -8.369 -0.132
15 HZ2 LYS 2 2HZ LYS 2 -6.555 -8.386 -0.099
16 HZ3 LYS 2 3HZ LYS 2 -7.352 -7.270 -1.064
17 H CYS 3 H CYS 3 -2.864 -3.148 2.371
18 HA CYS 3 HA CYS 3 -1.789 -0.667 1.267
19 HB2 CYS 3 2HB CYS 3 -1.201 -2.051 3.884
20 HB3 CYS 3 1HB CYS 3 -0.336 -0.639 3.290
21 H LEU 4 H LEU 4 -0.071 -0.698 0.124
22 HA LEU 4 HA LEU 4 1.267 -3.197 -0.417
23 HB2 LEU 4 2HB LEU 4 0.636 -1.778 -2.258
24 HB3 LEU 4 1HB LEU 4 1.511 -0.423 -1.570
25 HG LEU 4 HG LEU 4 3.620 -1.682 -1.932
26 HD11 LEU 4 1HD1 LEU 4 3.603 -3.592 -3.449
27 HD12 LEU 4 2HD1 LEU 4 1.837 -3.613 -3.399
28 HD13 LEU 4 3HD1 LEU 4 2.773 -3.932 -1.937
29 HD21 LEU 4 1HD2 LEU 4 1.906 -1.187 -4.349
30 HD22 LEU 4 2HD2 LEU 4 3.664 -1.361 -4.357
31 HD23 LEU 4 3HD2 LEU 4 2.913 -0.009 -3.503
32 H PHE 5 H PHE 5 2.974 -3.747 0.723
33 HA PHE 5 HA PHE 5 4.304 -1.896 2.459
34 HB2 PHE 5 2HB PHE 5 4.831 -4.808 1.834
35 HB3 PHE 5 1HB PHE 5 5.823 -3.878 2.948
36 HD1 PHE 5 1HD PHE 5 5.076 -3.395 5.156
37 HD2 PHE 5 2HD PHE 5 2.460 -5.294 2.383
38 HE1 PHE 5 1HE PHE 5 3.524 -3.918 6.984
39 HE2 PHE 5 2HE PHE 5 0.902 -5.816 4.205
40 HZ PHE 5 HZ PHE 5 1.425 -5.132 6.510
41 H SER 6 H SER 6 5.408 -0.417 1.487
42 HA SER 6 HA SER 6 7.684 -1.148 -0.120
43 HB2 SER 6 2HB SER 6 5.494 0.724 -1.047
44 HB3 SER 6 1HB SER 6 7.054 0.505 -1.838
45 HG SER 6 HG SER 6 5.957 -1.875 -1.445
46 H ASN 7 H ASN 7 8.579 1.322 -0.756
47 HA ASN 7 HA ASN 7 8.416 2.827 1.734
48 HB2 ASN 7 2HB ASN 7 10.840 2.421 -0.035
49 HB3 ASN 7 1HB ASN 7 10.773 3.563 1.299
50 HD21 ASN 7 1HD2 ASN 7 10.694 2.749 3.424
51 HD22 ASN 7 2HD2 ASN 7 11.193 1.145 3.793
52 HA PRO 8 HA PRO 8 7.201 4.135 2.306
53 HB2 PRO 8 2HB PRO 8 4.983 5.847 1.664
54 HB3 PRO 8 1HB PRO 8 6.319 6.176 2.767
55 HG2 PRO 8 2HG PRO 8 5.907 7.522 0.419
56 HG3 PRO 8 1HG PRO 8 7.487 7.337 1.200
57 HD2 PRO 8 2HD PRO 8 6.315 5.792 -1.078
58 HD3 PRO 8 1HD PRO 8 7.963 6.429 -0.869
59 HA PRO 9 HA PRO 9 3.968 1.190 1.339
60 HB2 PRO 9 2HB PRO 9 2.460 2.277 3.653
61 HB3 PRO 9 1HB PRO 9 2.986 0.619 3.339
62 HG2 PRO 9 2HG PRO 9 4.210 2.101 5.175
63 HG3 PRO 9 1HG PRO 9 5.133 1.012 4.122
64 HD2 PRO 9 2HD PRO 9 4.802 3.976 3.967
65 HD3 PRO 9 1HD PRO 9 6.251 2.981 3.702
66 H ILE 10 H ILE 10 2.191 1.201 0.125
67 HA ILE 10 HA ILE 10 0.770 3.760 -0.142
68 HB ILE 10 HB ILE 10 1.007 1.563 -2.233
69 HG12 ILE 10 2HG1 ILE 10 2.392 4.260 -2.128
70 HG13 ILE 10 1HG1 ILE 10 3.175 2.712 -1.840
71 HG21 ILE 10 1HG2 ILE 10 -1.052 2.859 -2.410
72 HG22 ILE 10 2HG2 ILE 10 0.031 3.227 -3.752
73 HG23 ILE 10 3HG2 ILE 10 -0.122 4.359 -2.409
74 HD11 ILE 10 1HD1 ILE 10 1.918 3.614 -4.425
75 HD12 ILE 10 2HD1 ILE 10 2.686 2.052 -4.154
76 HD13 ILE 10 3HD1 ILE 10 3.645 3.530 -4.079
77 H CYS 11 H CYS 11 -1.016 3.575 1.037
78 HA CYS 11 HA CYS 11 -2.487 1.073 1.016
79 HB2 CYS 11 2HB CYS 11 -2.858 3.595 2.637
80 HB3 CYS 11 1HB CYS 11 -3.898 2.181 2.747
81 H PHE 12 H PHE 12 -3.919 0.750 -0.425
82 HA PHE 12 HA PHE 12 -4.901 2.949 -2.026
83 HB2 PHE 12 2HB PHE 12 -5.331 -0.047 -2.231
84 HB3 PHE 12 1HB PHE 12 -5.882 1.132 -3.409
85 HD1 PHE 12 1HD PHE 12 -2.994 -0.652 -2.052
86 HD2 PHE 12 2HD PHE 12 -4.327 2.180 -4.928
87 HE1 PHE 12 1HE PHE 12 -0.856 -0.867 -3.257
88 HE2 PHE 12 2HE PHE 12 -2.206 1.969 -6.128
89 HZ PHE 12 HZ PHE 12 -0.460 0.444 -5.298
90 HA PRO 13 HA PRO 13 -8.807 3.217 0.079
91 HB2 PRO 13 2HB PRO 13 -10.491 3.889 -1.937
92 HB3 PRO 13 1HB PRO 13 -9.295 5.008 -1.272
93 HG2 PRO 13 2HG PRO 13 -9.128 3.310 -3.731
94 HG3 PRO 13 1HG PRO 13 -8.696 5.018 -3.523
95 HD2 PRO 13 2HD PRO 13 -6.829 3.080 -3.513
96 HD3 PRO 13 1HD PRO 13 -6.700 4.518 -2.480
97 H ASN 14 H ASN 14 -8.059 0.616 -1.600
98 HA ASN 14 HA ASN 14 -10.718 -0.576 -1.580
99 HB2 ASN 14 2HB ASN 14 -9.722 -2.514 -2.662
100 HB3 ASN 14 1HB ASN 14 -9.150 -1.080 -3.496
101 HD21 ASN 14 1HD2 ASN 14 -7.987 -3.698 -3.483
102 HD22 ASN 14 2HD2 ASN 14 -6.398 -3.544 -2.844
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -8.133 -0.050 0.676
2 HA2 GLY 1 2HA GLY 1 -7.826 -0.563 2.979
3 HA3 GLY 1 1HA GLY 1 -8.926 -1.922 2.780
4 H LYS 2 H LYS 2 -6.002 -0.892 1.049
5 HA LYS 2 HA LYS 2 -4.692 -3.384 1.778
6 HB2 LYS 2 2HB LYS 2 -5.881 -3.955 -0.262
7 HB3 LYS 2 1HB LYS 2 -5.229 -2.528 -1.050
8 HG2 LYS 2 2HG LYS 2 -2.978 -3.466 -0.952
9 HG3 LYS 2 1HG LYS 2 -3.586 -4.879 -0.091
10 HD2 LYS 2 2HD LYS 2 -3.262 -5.381 -2.456
11 HD3 LYS 2 1HD LYS 2 -4.968 -5.461 -2.030
12 HE2 LYS 2 2HE LYS 2 -5.222 -3.137 -2.913
13 HE3 LYS 2 1HE LYS 2 -3.546 -3.207 -3.453
14 HZ1 LYS 2 1HZ LYS 2 -4.181 -5.095 -4.873
15 HZ2 LYS 2 2HZ LYS 2 -5.043 -3.695 -5.224
16 HZ3 LYS 2 3HZ LYS 2 -5.788 -4.918 -4.370
17 H CYS 3 H CYS 3 -2.663 -2.916 2.278
18 HA CYS 3 HA CYS 3 -1.506 -0.529 1.084
19 HB2 CYS 3 2HB CYS 3 -0.860 -1.904 3.690
20 HB3 CYS 3 1HB CYS 3 0.152 -0.649 2.987
21 H LEU 4 H LEU 4 0.273 -0.594 -0.022
22 HA LEU 4 HA LEU 4 1.372 -3.134 -0.835
23 HB2 LEU 4 2HB LEU 4 0.852 -1.008 -2.244
24 HB3 LEU 4 1HB LEU 4 2.307 -0.362 -1.530
25 HG LEU 4 HG LEU 4 2.756 -1.118 -3.721
26 HD11 LEU 4 1HD1 LEU 4 4.582 -1.397 -2.254
27 HD12 LEU 4 2HD1 LEU 4 4.551 -2.715 -3.427
28 HD13 LEU 4 3HD1 LEU 4 4.004 -2.991 -1.774
29 HD21 LEU 4 1HD2 LEU 4 2.500 -3.431 -4.444
30 HD22 LEU 4 2HD2 LEU 4 0.954 -2.701 -4.006
31 HD23 LEU 4 3HD2 LEU 4 1.746 -3.823 -2.901
32 H PHE 5 H PHE 5 3.226 -3.863 0.023
33 HA PHE 5 HA PHE 5 4.244 -2.349 2.254
34 HB2 PHE 5 2HB PHE 5 4.764 -5.224 1.487
35 HB3 PHE 5 1HB PHE 5 5.447 -4.431 2.905
36 HD1 PHE 5 1HD PHE 5 3.989 -3.773 4.770
37 HD2 PHE 5 2HD PHE 5 2.477 -5.907 1.423
38 HE1 PHE 5 1HE PHE 5 1.954 -4.336 6.041
39 HE2 PHE 5 2HE PHE 5 0.457 -6.470 2.682
40 HZ PHE 5 HZ PHE 5 0.189 -5.679 5.002
41 H SER 6 H SER 6 5.211 -0.795 1.138
42 HA SER 6 HA SER 6 8.014 -1.316 0.725
43 HB2 SER 6 2HB SER 6 6.305 0.214 -1.278
44 HB3 SER 6 1HB SER 6 8.067 0.084 -1.314
45 HG SER 6 HG SER 6 7.032 -2.335 -1.101
46 H ASN 7 H ASN 7 8.840 1.263 0.244
47 HA ASN 7 HA ASN 7 7.442 2.849 2.250
48 HB2 ASN 7 2HB ASN 7 10.411 2.336 2.055
49 HB3 ASN 7 1HB ASN 7 9.755 3.711 2.932
50 HD21 ASN 7 1HD2 ASN 7 10.058 0.225 2.860
51 HD22 ASN 7 2HD2 ASN 7 9.574 -0.022 4.494
52 HA PRO 8 HA PRO 8 6.531 4.594 2.497
53 HB2 PRO 8 2HB PRO 8 4.638 6.132 1.375
54 HB3 PRO 8 1HB PRO 8 6.140 6.816 2.011
55 HG2 PRO 8 2HG PRO 8 5.410 6.161 -0.815
56 HG3 PRO 8 1HG PRO 8 6.198 7.617 -0.177
57 HD2 PRO 8 2HD PRO 8 7.568 5.581 -1.348
58 HD3 PRO 8 1HD PRO 8 8.256 6.609 -0.077
59 HA PRO 9 HA PRO 9 3.806 1.365 1.148
60 HB2 PRO 9 2HB PRO 9 1.844 1.605 3.018
61 HB3 PRO 9 1HB PRO 9 3.412 0.863 3.346
62 HG2 PRO 9 2HG PRO 9 2.444 3.618 3.978
63 HG3 PRO 9 1HG PRO 9 3.436 2.529 4.965
64 HD2 PRO 9 2HD PRO 9 4.462 4.607 3.554
65 HD3 PRO 9 1HD PRO 9 5.371 3.117 3.868
66 H ILE 10 H ILE 10 2.631 1.561 -0.609
67 HA ILE 10 HA ILE 10 0.852 3.777 -1.083
68 HB ILE 10 HB ILE 10 1.057 1.178 -2.638
69 HG12 ILE 10 2HG1 ILE 10 2.519 3.773 -3.176
70 HG13 ILE 10 1HG1 ILE 10 3.259 2.338 -2.472
71 HG21 ILE 10 1HG2 ILE 10 -0.955 2.475 -3.104
72 HG22 ILE 10 2HG2 ILE 10 0.133 2.495 -4.492
73 HG23 ILE 10 3HG2 ILE 10 0.025 3.904 -3.437
74 HD11 ILE 10 1HD1 ILE 10 3.768 2.509 -4.833
75 HD12 ILE 10 2HD1 ILE 10 2.047 2.544 -5.220
76 HD13 ILE 10 3HD1 ILE 10 2.765 1.093 -4.521
77 H CYS 11 H CYS 11 -0.978 3.763 0.089
78 HA CYS 11 HA CYS 11 -2.228 1.171 0.480
79 HB2 CYS 11 2HB CYS 11 -2.555 3.687 2.108
80 HB3 CYS 11 1HB CYS 11 -3.443 2.181 2.365
81 H PHE 12 H PHE 12 -3.727 0.693 -0.714
82 HA PHE 12 HA PHE 12 -5.052 2.577 -2.429
83 HB2 PHE 12 2HB PHE 12 -5.354 -0.418 -2.086
84 HB3 PHE 12 1HB PHE 12 -6.123 0.528 -3.349
85 HD1 PHE 12 1HD PHE 12 -4.902 1.227 -5.282
86 HD2 PHE 12 2HD PHE 12 -2.909 -0.778 -2.094
87 HE1 PHE 12 1HE PHE 12 -2.945 0.885 -6.722
88 HE2 PHE 12 2HE PHE 12 -0.950 -1.122 -3.535
89 HZ PHE 12 HZ PHE 12 -0.961 -0.293 -5.849
90 HA PRO 13 HA PRO 13 -8.488 3.350 0.164
91 HB2 PRO 13 2HB PRO 13 -10.477 3.791 -1.608
92 HB3 PRO 13 1HB PRO 13 -9.135 4.916 -1.370
93 HG2 PRO 13 2HG PRO 13 -9.483 2.812 -3.469
94 HG3 PRO 13 1HG PRO 13 -8.967 4.497 -3.667
95 HD2 PRO 13 2HD PRO 13 -7.200 2.474 -3.624
96 HD3 PRO 13 1HD PRO 13 -6.815 4.047 -2.902
97 H ASN 14 H ASN 14 -8.421 0.508 -1.589
98 HA ASN 14 HA ASN 14 -11.073 -0.395 -0.822
99 HB2 ASN 14 2HB ASN 14 -10.558 -2.460 -1.947
100 HB3 ASN 14 1HB ASN 14 -9.940 -1.161 -2.956
101 HD21 ASN 14 1HD2 ASN 14 -9.167 -3.899 -1.047
102 HD22 ASN 14 2HD2 ASN 14 -7.498 -3.975 -1.410
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -8.578 -0.476 0.779
2 HA2 GLY 1 2HA GLY 1 -8.043 -1.861 2.560
3 HA3 GLY 1 1HA GLY 1 -8.931 -3.160 1.773
4 H LYS 2 H LYS 2 -6.297 -1.194 0.534
5 HA LYS 2 HA LYS 2 -4.655 -3.602 0.444
6 HB2 LYS 2 2HB LYS 2 -5.634 -3.458 -1.734
7 HB3 LYS 2 1HB LYS 2 -5.249 -1.752 -1.859
8 HG2 LYS 2 2HG LYS 2 -2.831 -2.362 -1.812
9 HG3 LYS 2 1HG LYS 2 -3.318 -4.057 -1.856
10 HD2 LYS 2 2HD LYS 2 -4.359 -3.776 -3.985
11 HD3 LYS 2 1HD LYS 2 -4.122 -2.027 -3.929
12 HE2 LYS 2 2HE LYS 2 -2.474 -3.071 -5.390
13 HE3 LYS 2 1HE LYS 2 -1.695 -2.369 -3.975
14 HZ1 LYS 2 1HZ LYS 2 -1.616 -4.589 -2.990
15 HZ2 LYS 2 2HZ LYS 2 -0.815 -4.540 -4.465
16 HZ3 LYS 2 3HZ LYS 2 -2.347 -5.230 -4.362
17 H CYS 3 H CYS 3 -3.055 -3.029 1.772
18 HA CYS 3 HA CYS 3 -1.745 -0.486 1.216
19 HB2 CYS 3 2HB CYS 3 -1.706 -2.204 3.699
20 HB3 CYS 3 1HB CYS 3 -0.504 -0.951 3.415
21 H LEU 4 H LEU 4 0.117 -0.450 0.324
22 HA LEU 4 HA LEU 4 1.407 -2.920 -0.432
23 HB2 LEU 4 2HB LEU 4 1.102 -1.251 -2.133
24 HB3 LEU 4 1HB LEU 4 1.835 -0.023 -1.124
25 HG LEU 4 HG LEU 4 3.986 -1.151 -1.311
26 HD11 LEU 4 1HD1 LEU 4 3.254 -3.440 -1.664
27 HD12 LEU 4 2HD1 LEU 4 4.290 -2.933 -2.998
28 HD13 LEU 4 3HD1 LEU 4 2.541 -2.997 -3.213
29 HD21 LEU 4 1HD2 LEU 4 2.677 -0.530 -3.942
30 HD22 LEU 4 2HD2 LEU 4 4.418 -0.568 -3.630
31 HD23 LEU 4 3HD2 LEU 4 3.403 0.633 -2.830
32 H PHE 5 H PHE 5 2.985 -3.731 0.769
33 HA PHE 5 HA PHE 5 4.143 -2.056 2.814
34 HB2 PHE 5 2HB PHE 5 4.378 -5.046 2.387
35 HB3 PHE 5 1HB PHE 5 5.081 -4.162 3.735
36 HD1 PHE 5 1HD PHE 5 3.636 -3.182 5.469
37 HD2 PHE 5 2HD PHE 5 2.027 -5.557 2.322
38 HE1 PHE 5 1HE PHE 5 1.548 -3.451 6.738
39 HE2 PHE 5 2HE PHE 5 -0.062 -5.830 3.589
40 HZ PHE 5 HZ PHE 5 -0.307 -4.777 5.798
41 H SER 6 H SER 6 5.328 -0.774 1.537
42 HA SER 6 HA SER 6 7.983 -1.629 0.991
43 HB2 SER 6 2HB SER 6 6.226 -0.556 -1.261
44 HB3 SER 6 1HB SER 6 7.965 -0.807 -1.364
45 HG SER 6 HG SER 6 6.637 -3.007 -0.503
46 H ASN 7 H ASN 7 9.120 0.558 0.162
47 HA ASN 7 HA ASN 7 7.760 2.755 1.529
48 HB2 ASN 7 2HB ASN 7 10.734 2.366 1.020
49 HB3 ASN 7 1HB ASN 7 10.030 3.822 1.703
50 HD21 ASN 7 1HD2 ASN 7 12.011 2.072 2.837
51 HD22 ASN 7 2HD2 ASN 7 11.378 1.480 4.319
52 HA PRO 8 HA PRO 8 7.377 4.756 1.525
53 HB2 PRO 8 2HB PRO 8 5.466 6.216 -0.140
54 HB3 PRO 8 1HB PRO 8 6.692 6.868 0.950
55 HG2 PRO 8 2HG PRO 8 6.874 7.112 -1.732
56 HG3 PRO 8 1HG PRO 8 8.304 6.932 -0.702
57 HD2 PRO 8 2HD PRO 8 6.882 4.851 -2.326
58 HD3 PRO 8 1HD PRO 8 8.624 5.167 -2.173
59 HA PRO 9 HA PRO 9 3.969 1.842 1.753
60 HB2 PRO 9 2HB PRO 9 2.833 3.670 3.794
61 HB3 PRO 9 1HB PRO 9 3.247 1.960 3.935
62 HG2 PRO 9 2HG PRO 9 4.759 3.798 5.089
63 HG3 PRO 9 1HG PRO 9 5.492 2.397 4.284
64 HD2 PRO 9 2HD PRO 9 5.235 5.215 3.304
65 HD3 PRO 9 1HD PRO 9 6.611 4.091 3.204
66 H ILE 10 H ILE 10 2.431 1.796 0.263
67 HA ILE 10 HA ILE 10 0.788 4.200 -0.137
68 HB ILE 10 HB ILE 10 1.224 1.929 -2.104
69 HG12 ILE 10 2HG1 ILE 10 2.412 4.721 -2.119
70 HG13 ILE 10 1HG1 ILE 10 3.298 3.253 -1.726
71 HG21 ILE 10 1HG2 ILE 10 -0.904 3.068 -2.365
72 HG22 ILE 10 2HG2 ILE 10 0.175 3.438 -3.709
73 HG23 ILE 10 3HG2 ILE 10 -0.084 4.633 -2.432
74 HD11 ILE 10 1HD1 ILE 10 2.043 3.916 -4.382
75 HD12 ILE 10 2HD1 ILE 10 2.904 2.428 -3.995
76 HD13 ILE 10 3HD1 ILE 10 3.766 3.962 -3.997
77 H CYS 11 H CYS 11 -1.092 3.988 0.809
78 HA CYS 11 HA CYS 11 -2.363 1.375 0.793
79 HB2 CYS 11 2HB CYS 11 -2.737 3.697 2.686
80 HB3 CYS 11 1HB CYS 11 -3.807 2.299 2.638
81 H PHE 12 H PHE 12 -3.960 1.062 -0.385
82 HA PHE 12 HA PHE 12 -5.260 3.260 -1.757
83 HB2 PHE 12 2HB PHE 12 -5.351 0.275 -2.238
84 HB3 PHE 12 1HB PHE 12 -6.110 1.489 -3.249
85 HD1 PHE 12 1HD PHE 12 -2.973 -0.131 -2.324
86 HD2 PHE 12 2HD PHE 12 -4.754 2.894 -4.726
87 HE1 PHE 12 1HE PHE 12 -0.931 -0.020 -3.698
88 HE2 PHE 12 2HE PHE 12 -2.725 3.012 -6.092
89 HZ PHE 12 HZ PHE 12 -0.806 1.549 -5.582
90 HA PRO 13 HA PRO 13 -8.766 2.750 0.928
91 HB2 PRO 13 2HB PRO 13 -10.577 3.741 -1.122
92 HB3 PRO 13 1HB PRO 13 -10.005 4.549 0.337
93 HG2 PRO 13 2HG PRO 13 -9.244 5.323 -2.145
94 HG3 PRO 13 1HG PRO 13 -8.184 5.478 -0.732
95 HD2 PRO 13 2HD PRO 13 -8.215 3.377 -2.866
96 HD3 PRO 13 1HD PRO 13 -6.838 4.255 -2.161
97 H ASN 14 H ASN 14 -8.299 0.553 -1.309
98 HA ASN 14 HA ASN 14 -10.993 -0.578 -1.070
99 HB2 ASN 14 2HB ASN 14 -10.475 -2.095 -2.915
100 HB3 ASN 14 1HB ASN 14 -10.188 -0.437 -3.414
101 HD21 ASN 14 1HD2 ASN 14 -9.187 -3.018 -4.386
102 HD22 ASN 14 2HD2 ASN 14 -7.474 -2.913 -4.384
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -7.745 0.187 0.527
2 HA2 GLY 1 2HA GLY 1 -7.249 0.113 2.906
3 HA3 GLY 1 1HA GLY 1 -8.270 -1.312 3.010
4 H LYS 2 H LYS 2 -6.824 -1.973 0.270
5 HA LYS 2 HA LYS 2 -4.955 -3.775 1.423
6 HB2 LYS 2 2HB LYS 2 -6.136 -4.276 -0.686
7 HB3 LYS 2 1HB LYS 2 -5.322 -2.933 -1.461
8 HG2 LYS 2 2HG LYS 2 -3.186 -4.052 -1.253
9 HG3 LYS 2 1HG LYS 2 -3.937 -5.367 -0.348
10 HD2 LYS 2 2HD LYS 2 -5.318 -5.911 -2.302
11 HD3 LYS 2 1HD LYS 2 -4.540 -4.614 -3.210
12 HE2 LYS 2 2HE LYS 2 -2.403 -5.717 -3.030
13 HE3 LYS 2 1HE LYS 2 -3.090 -6.969 -1.998
14 HZ1 LYS 2 1HZ LYS 2 -3.801 -6.488 -4.852
15 HZ2 LYS 2 2HZ LYS 2 -4.469 -7.676 -3.864
16 HZ3 LYS 2 3HZ LYS 2 -2.838 -7.736 -4.255
17 H CYS 3 H CYS 3 -3.000 -3.251 2.156
18 HA CYS 3 HA CYS 3 -1.724 -0.917 0.941
19 HB2 CYS 3 2HB CYS 3 -1.218 -2.118 3.669
20 HB3 CYS 3 1HB CYS 3 -0.382 -0.731 2.992
21 H LEU 4 H LEU 4 0.011 -1.100 -0.126
22 HA LEU 4 HA LEU 4 1.359 -3.673 -0.355
23 HB2 LEU 4 2HB LEU 4 0.598 -2.479 -2.384
24 HB3 LEU 4 1HB LEU 4 1.592 -1.108 -1.940
25 HG LEU 4 HG LEU 4 3.608 -2.537 -2.236
26 HD11 LEU 4 1HD1 LEU 4 3.382 -4.660 -3.418
27 HD12 LEU 4 2HD1 LEU 4 1.626 -4.534 -3.314
28 HD13 LEU 4 3HD1 LEU 4 2.584 -4.710 -1.845
29 HD21 LEU 4 1HD2 LEU 4 1.762 -2.336 -4.610
30 HD22 LEU 4 2HD2 LEU 4 3.508 -2.570 -4.680
31 HD23 LEU 4 3HD2 LEU 4 2.845 -1.076 -4.018
32 H PHE 5 H PHE 5 3.191 -3.954 0.746
33 HA PHE 5 HA PHE 5 4.219 -1.803 2.288
34 HB2 PHE 5 2HB PHE 5 5.063 -4.686 2.050
35 HB3 PHE 5 1HB PHE 5 5.841 -3.540 3.135
36 HD1 PHE 5 1HD PHE 5 4.254 -2.283 4.778
37 HD2 PHE 5 2HD PHE 5 3.247 -5.917 2.813
38 HE1 PHE 5 1HE PHE 5 2.546 -2.726 6.485
39 HE2 PHE 5 2HE PHE 5 1.538 -6.370 4.516
40 HZ PHE 5 HZ PHE 5 1.181 -4.768 6.360
41 H SER 6 H SER 6 5.447 -0.367 1.554
42 HA SER 6 HA SER 6 7.738 -0.915 -0.092
43 HB2 SER 6 2HB SER 6 5.465 0.917 -0.965
44 HB3 SER 6 1HB SER 6 7.000 0.751 -1.808
45 HG SER 6 HG SER 6 5.934 -1.659 -1.406
46 H ASN 7 H ASN 7 8.364 1.791 -0.600
47 HA ASN 7 HA ASN 7 8.149 3.047 2.036
48 HB2 ASN 7 2HB ASN 7 10.634 2.696 0.353
49 HB3 ASN 7 1HB ASN 7 10.527 3.915 1.615
50 HD21 ASN 7 1HD2 ASN 7 10.696 3.286 3.725
51 HD22 ASN 7 2HD2 ASN 7 11.068 1.671 4.210
52 HA PRO 8 HA PRO 8 6.831 4.313 2.676
53 HB2 PRO 8 2HB PRO 8 4.503 5.862 1.942
54 HB3 PRO 8 1HB PRO 8 5.711 6.238 3.167
55 HG2 PRO 8 2HG PRO 8 5.368 7.678 0.856
56 HG3 PRO 8 1HG PRO 8 6.884 7.609 1.765
57 HD2 PRO 8 2HD PRO 8 6.078 6.128 -0.700
58 HD3 PRO 8 1HD PRO 8 7.646 6.848 -0.279
59 HA PRO 9 HA PRO 9 4.038 1.095 1.358
60 HB2 PRO 9 2HB PRO 9 2.072 1.161 3.275
61 HB3 PRO 9 1HB PRO 9 3.662 0.439 3.541
62 HG2 PRO 9 2HG PRO 9 2.662 3.151 4.303
63 HG3 PRO 9 1HG PRO 9 3.638 2.017 5.255
64 HD2 PRO 9 2HD PRO 9 4.750 4.121 4.019
65 HD3 PRO 9 1HD PRO 9 5.589 2.557 4.120
66 H ILE 10 H ILE 10 2.375 0.938 -0.020
67 HA ILE 10 HA ILE 10 0.880 3.400 -0.557
68 HB ILE 10 HB ILE 10 1.162 0.911 -2.266
69 HG12 ILE 10 2HG1 ILE 10 2.559 3.583 -2.546
70 HG13 ILE 10 1HG1 ILE 10 3.311 2.125 -1.914
71 HG21 ILE 10 1HG2 ILE 10 -0.877 2.180 -2.724
72 HG22 ILE 10 2HG2 ILE 10 0.261 2.301 -4.064
73 HG23 ILE 10 3HG2 ILE 10 0.076 3.651 -2.945
74 HD11 ILE 10 1HD1 ILE 10 2.987 1.027 -4.062
75 HD12 ILE 10 2HD1 ILE 10 3.919 2.514 -4.231
76 HD13 ILE 10 3HD1 ILE 10 2.214 2.481 -4.690
77 H CYS 11 H CYS 11 -1.080 3.438 0.405
78 HA CYS 11 HA CYS 11 -2.447 0.890 0.662
79 HB2 CYS 11 2HB CYS 11 -2.866 3.485 2.147
80 HB3 CYS 11 1HB CYS 11 -3.936 2.094 2.284
81 H PHE 12 H PHE 12 -3.890 0.431 -0.686
82 HA PHE 12 HA PHE 12 -4.826 2.374 -2.550
83 HB2 PHE 12 2HB PHE 12 -5.407 -0.581 -2.197
84 HB3 PHE 12 1HB PHE 12 -6.035 0.392 -3.521
85 HD1 PHE 12 1HD PHE 12 -4.595 1.167 -5.292
86 HD2 PHE 12 2HD PHE 12 -3.034 -1.184 -2.109
87 HE1 PHE 12 1HE PHE 12 -2.553 0.780 -6.589
88 HE2 PHE 12 2HE PHE 12 -0.980 -1.581 -3.408
89 HZ PHE 12 HZ PHE 12 -0.735 -0.595 -5.651
90 HA PRO 13 HA PRO 13 -8.549 3.927 -0.798
91 HB2 PRO 13 2HB PRO 13 -9.915 2.622 -3.115
92 HB3 PRO 13 1HB PRO 13 -10.129 4.250 -2.458
93 HG2 PRO 13 2HG PRO 13 -8.663 3.895 -4.623
94 HG3 PRO 13 1HG PRO 13 -8.132 5.023 -3.363
95 HD2 PRO 13 2HD PRO 13 -7.080 2.331 -4.058
96 HD3 PRO 13 1HD PRO 13 -6.243 3.742 -3.384
97 H ASN 14 H ASN 14 -8.700 0.567 -1.809
98 HA ASN 14 HA ASN 14 -11.036 0.014 -0.194
99 HB2 ASN 14 2HB ASN 14 -10.740 -2.354 -0.870
100 HB3 ASN 14 1HB ASN 14 -10.859 -1.245 -2.223
101 HD21 ASN 14 1HD2 ASN 14 -9.857 -2.708 -3.613
102 HD22 ASN 14 2HD2 ASN 14 -8.164 -3.034 -3.536
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -7.894 0.122 0.579
2 HA2 GLY 1 2HA GLY 1 -7.583 -0.193 2.881
3 HA3 GLY 1 1HA GLY 1 -8.684 -1.563 2.825
4 H LYS 2 H LYS 2 -6.254 -1.357 0.390
5 HA LYS 2 HA LYS 2 -4.726 -3.395 1.845
6 HB2 LYS 2 2HB LYS 2 -5.033 -3.076 -1.145
7 HB3 LYS 2 1HB LYS 2 -4.080 -4.307 -0.335
8 HG2 LYS 2 2HG LYS 2 -6.116 -5.237 0.648
9 HG3 LYS 2 1HG LYS 2 -7.068 -3.997 -0.170
10 HD2 LYS 2 2HD LYS 2 -6.245 -4.845 -2.336
11 HD3 LYS 2 1HD LYS 2 -5.384 -6.126 -1.481
12 HE2 LYS 2 2HE LYS 2 -7.516 -6.936 -0.575
13 HE3 LYS 2 1HE LYS 2 -8.359 -5.658 -1.452
14 HZ1 LYS 2 1HZ LYS 2 -7.487 -6.617 -3.515
15 HZ2 LYS 2 2HZ LYS 2 -8.494 -7.673 -2.708
16 HZ3 LYS 2 3HZ LYS 2 -6.820 -7.895 -2.650
17 H CYS 3 H CYS 3 -2.722 -2.866 2.318
18 HA CYS 3 HA CYS 3 -1.512 -0.616 0.892
19 HB2 CYS 3 2HB CYS 3 -0.858 -1.716 3.637
20 HB3 CYS 3 1HB CYS 3 -0.036 -0.369 2.861
21 H LEU 4 H LEU 4 0.373 -0.839 -0.070
22 HA LEU 4 HA LEU 4 1.504 -3.489 -0.363
23 HB2 LEU 4 2HB LEU 4 2.237 -0.840 -1.597
24 HB3 LEU 4 1HB LEU 4 3.074 -2.338 -1.934
25 HG LEU 4 HG LEU 4 0.192 -1.879 -2.395
26 HD11 LEU 4 1HD1 LEU 4 2.534 -1.790 -4.338
27 HD12 LEU 4 2HD1 LEU 4 1.508 -0.421 -3.897
28 HD13 LEU 4 3HD1 LEU 4 0.848 -1.755 -4.840
29 HD21 LEU 4 1HD2 LEU 4 0.345 -3.883 -3.833
30 HD22 LEU 4 2HD2 LEU 4 0.730 -4.209 -2.144
31 HD23 LEU 4 3HD2 LEU 4 2.024 -4.068 -3.332
32 H PHE 5 H PHE 5 3.498 -3.994 0.207
33 HA PHE 5 HA PHE 5 4.508 -2.579 2.531
34 HB2 PHE 5 2HB PHE 5 5.252 -5.218 1.312
35 HB3 PHE 5 1HB PHE 5 6.280 -4.470 2.530
36 HD1 PHE 5 1HD PHE 5 5.257 -3.909 4.765
37 HD2 PHE 5 2HD PHE 5 3.359 -6.443 1.933
38 HE1 PHE 5 1HE PHE 5 3.873 -4.859 6.552
39 HE2 PHE 5 2HE PHE 5 1.972 -7.392 3.703
40 HZ PHE 5 HZ PHE 5 2.221 -6.605 6.027
41 H SER 6 H SER 6 4.720 -1.003 0.457
42 HA SER 6 HA SER 6 7.481 -0.942 -0.397
43 HB2 SER 6 2HB SER 6 6.573 1.034 -1.694
44 HB3 SER 6 1HB SER 6 5.804 -0.506 -2.085
45 HG SER 6 HG SER 6 4.824 1.729 -0.815
46 H ASN 7 H ASN 7 8.248 1.527 -0.257
47 HA ASN 7 HA ASN 7 7.237 2.839 2.097
48 HB2 ASN 7 2HB ASN 7 9.498 3.238 3.048
49 HB3 ASN 7 1HB ASN 7 9.145 1.527 2.976
50 HD21 ASN 7 1HD2 ASN 7 11.206 4.058 1.918
51 HD22 ASN 7 2HD2 ASN 7 12.332 3.075 1.054
52 HA PRO 8 HA PRO 8 6.373 4.828 2.559
53 HB2 PRO 8 2HB PRO 8 4.636 6.019 0.476
54 HB3 PRO 8 1HB PRO 8 5.009 6.612 2.094
55 HG2 PRO 8 2HG PRO 8 6.048 7.789 -0.038
56 HG3 PRO 8 1HG PRO 8 7.022 7.552 1.421
57 HD2 PRO 8 2HD PRO 8 7.023 5.985 -1.126
58 HD3 PRO 8 1HD PRO 8 8.397 6.538 -0.148
59 HA PRO 9 HA PRO 9 3.950 1.219 1.335
60 HB2 PRO 9 2HB PRO 9 2.066 1.953 3.476
61 HB3 PRO 9 1HB PRO 9 3.067 0.508 3.329
62 HG2 PRO 9 2HG PRO 9 3.588 2.400 5.153
63 HG3 PRO 9 1HG PRO 9 4.882 1.498 4.345
64 HD2 PRO 9 2HD PRO 9 3.880 4.269 3.805
65 HD3 PRO 9 1HD PRO 9 5.546 3.648 3.856
66 H ILE 10 H ILE 10 2.716 1.346 -0.391
67 HA ILE 10 HA ILE 10 0.951 3.556 -0.873
68 HB ILE 10 HB ILE 10 1.242 0.979 -2.438
69 HG12 ILE 10 2HG1 ILE 10 2.594 3.648 -2.897
70 HG13 ILE 10 1HG1 ILE 10 3.379 2.241 -2.192
71 HG21 ILE 10 1HG2 ILE 10 -0.820 2.206 -2.945
72 HG22 ILE 10 2HG2 ILE 10 0.303 2.280 -4.302
73 HG23 ILE 10 3HG2 ILE 10 0.115 3.675 -3.238
74 HD11 ILE 10 1HD1 ILE 10 3.033 1.025 -4.291
75 HD12 ILE 10 2HD1 ILE 10 3.972 2.496 -4.516
76 HD13 ILE 10 3HD1 ILE 10 2.269 2.459 -4.979
77 H CYS 11 H CYS 11 -0.928 3.651 0.152
78 HA CYS 11 HA CYS 11 -2.344 1.153 0.667
79 HB2 CYS 11 2HB CYS 11 -2.556 3.838 2.033
80 HB3 CYS 11 1HB CYS 11 -3.633 2.480 2.356
81 H PHE 12 H PHE 12 -3.848 0.684 -0.650
82 HA PHE 12 HA PHE 12 -4.999 2.671 -2.389
83 HB2 PHE 12 2HB PHE 12 -5.427 -0.315 -2.131
84 HB3 PHE 12 1HB PHE 12 -6.205 0.688 -3.342
85 HD1 PHE 12 1HD PHE 12 -3.042 -0.832 -2.262
86 HD2 PHE 12 2HD PHE 12 -4.982 1.496 -5.243
87 HE1 PHE 12 1HE PHE 12 -1.152 -1.203 -3.786
88 HE2 PHE 12 2HE PHE 12 -3.101 1.138 -6.769
89 HZ PHE 12 HZ PHE 12 -1.170 -0.219 -6.042
90 HA PRO 13 HA PRO 13 -8.667 3.561 -0.022
91 HB2 PRO 13 2HB PRO 13 -10.539 3.678 -2.039
92 HB3 PRO 13 1HB PRO 13 -9.392 4.965 -1.645
93 HG2 PRO 13 2HG PRO 13 -9.192 2.852 -3.758
94 HG3 PRO 13 1HG PRO 13 -8.843 4.586 -3.877
95 HD2 PRO 13 2HD PRO 13 -6.878 2.817 -3.611
96 HD3 PRO 13 1HD PRO 13 -6.816 4.376 -2.756
97 H ASN 14 H ASN 14 -8.331 0.664 -1.649
98 HA ASN 14 HA ASN 14 -10.884 -0.423 -0.815
99 HB2 ASN 14 2HB ASN 14 -10.029 -2.593 -1.746
100 HB3 ASN 14 1HB ASN 14 -10.100 -1.290 -2.918
101 HD21 ASN 14 1HD2 ASN 14 -8.625 -2.381 -4.200
102 HD22 ASN 14 2HD2 ASN 14 -6.940 -2.442 -3.819
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -7.886 -0.164 0.270
2 HA2 GLY 1 2HA GLY 1 -8.243 -0.446 2.624
3 HA3 GLY 1 1HA GLY 1 -9.036 -1.970 2.272
4 H LYS 2 H LYS 2 -6.420 -1.843 0.264
5 HA LYS 2 HA LYS 2 -4.832 -3.298 2.248
6 HB2 LYS 2 2HB LYS 2 -4.933 -3.620 -0.742
7 HB3 LYS 2 1HB LYS 2 -3.793 -4.451 0.307
8 HG2 LYS 2 2HG LYS 2 -5.652 -5.528 1.468
9 HG3 LYS 2 1HG LYS 2 -6.787 -4.696 0.406
10 HD2 LYS 2 2HD LYS 2 -5.832 -5.812 -1.521
11 HD3 LYS 2 1HD LYS 2 -4.641 -6.609 -0.489
12 HE2 LYS 2 2HE LYS 2 -6.471 -7.727 0.718
13 HE3 LYS 2 1HE LYS 2 -7.636 -6.954 -0.352
14 HZ1 LYS 2 1HZ LYS 2 -7.172 -9.187 -1.048
15 HZ2 LYS 2 2HZ LYS 2 -5.520 -8.845 -1.168
16 HZ3 LYS 2 3HZ LYS 2 -6.612 -8.103 -2.216
17 H CYS 3 H CYS 3 -2.621 -3.011 2.345
18 HA CYS 3 HA CYS 3 -1.685 -0.554 1.062
19 HB2 CYS 3 2HB CYS 3 -0.824 -1.745 3.704
20 HB3 CYS 3 1HB CYS 3 -0.178 -0.278 2.980
21 H LEU 4 H LEU 4 -0.015 -0.700 -0.192
22 HA LEU 4 HA LEU 4 1.363 -3.234 -0.471
23 HB2 LEU 4 2HB LEU 4 0.709 -1.988 -2.484
24 HB3 LEU 4 1HB LEU 4 1.669 -0.617 -1.958
25 HG LEU 4 HG LEU 4 3.700 -2.013 -2.159
26 HD11 LEU 4 1HD1 LEU 4 2.716 -4.204 -1.850
27 HD12 LEU 4 2HD1 LEU 4 3.570 -4.131 -3.390
28 HD13 LEU 4 3HD1 LEU 4 1.810 -4.031 -3.353
29 HD21 LEU 4 1HD2 LEU 4 3.759 -2.026 -4.605
30 HD22 LEU 4 2HD2 LEU 4 3.051 -0.544 -3.965
31 HD23 LEU 4 3HD2 LEU 4 2.011 -1.802 -4.642
32 H PHE 5 H PHE 5 3.035 -3.607 0.749
33 HA PHE 5 HA PHE 5 4.214 -1.432 2.194
34 HB2 PHE 5 2HB PHE 5 4.666 -4.406 2.446
35 HB3 PHE 5 1HB PHE 5 5.365 -3.177 3.499
36 HD1 PHE 5 1HD PHE 5 3.821 -1.716 4.847
37 HD2 PHE 5 2HD PHE 5 2.496 -5.205 2.812
38 HE1 PHE 5 1HE PHE 5 1.787 -1.745 6.221
39 HE2 PHE 5 2HE PHE 5 0.478 -5.243 4.164
40 HZ PHE 5 HZ PHE 5 0.106 -3.511 5.890
41 H SER 6 H SER 6 5.545 -0.342 1.196
42 HA SER 6 HA SER 6 7.996 -1.422 0.195
43 HB2 SER 6 2HB SER 6 6.275 -1.332 -1.745
44 HB3 SER 6 1HB SER 6 6.207 0.405 -1.482
45 HG SER 6 HG SER 6 7.710 -0.733 -3.090
46 H ASN 7 H ASN 7 8.864 1.161 -0.666
47 HA ASN 7 HA ASN 7 8.164 2.766 1.675
48 HB2 ASN 7 2HB ASN 7 10.572 2.048 1.641
49 HB3 ASN 7 1HB ASN 7 10.773 2.905 0.118
50 HD21 ASN 7 1HD2 ASN 7 12.122 3.283 2.678
51 HD22 ASN 7 2HD2 ASN 7 11.868 4.927 3.131
52 HA PRO 8 HA PRO 8 7.036 4.153 2.204
53 HB2 PRO 8 2HB PRO 8 4.909 5.716 2.087
54 HB3 PRO 8 1HB PRO 8 6.522 6.426 1.967
55 HG2 PRO 8 2HG PRO 8 4.523 5.884 -0.183
56 HG3 PRO 8 1HG PRO 8 5.609 7.269 0.011
57 HD2 PRO 8 2HD PRO 8 6.055 5.045 -1.629
58 HD3 PRO 8 1HD PRO 8 7.272 6.232 -1.124
59 HA PRO 9 HA PRO 9 3.708 1.120 1.838
60 HB2 PRO 9 2HB PRO 9 2.166 2.397 4.001
61 HB3 PRO 9 1HB PRO 9 2.895 0.792 3.962
62 HG2 PRO 9 2HG PRO 9 3.878 2.778 5.499
63 HG3 PRO 9 1HG PRO 9 4.916 1.545 4.767
64 HD2 PRO 9 2HD PRO 9 4.433 4.368 3.928
65 HD3 PRO 9 1HD PRO 9 5.942 3.430 3.912
66 H ILE 10 H ILE 10 2.403 1.322 0.159
67 HA ILE 10 HA ILE 10 0.866 3.768 -0.212
68 HB ILE 10 HB ILE 10 1.086 1.395 -2.091
69 HG12 ILE 10 2HG1 ILE 10 2.683 3.971 -2.097
70 HG13 ILE 10 1HG1 ILE 10 3.306 2.406 -1.597
71 HG21 ILE 10 1HG2 ILE 10 -0.838 2.841 -2.502
72 HG22 ILE 10 2HG2 ILE 10 0.355 3.006 -3.791
73 HG23 ILE 10 3HG2 ILE 10 0.220 4.252 -2.552
74 HD11 ILE 10 1HD1 ILE 10 4.015 2.963 -3.846
75 HD12 ILE 10 2HD1 ILE 10 2.331 3.122 -4.349
76 HD13 ILE 10 3HD1 ILE 10 2.958 1.552 -3.858
77 H CYS 11 H CYS 11 -1.033 3.718 0.843
78 HA CYS 11 HA CYS 11 -2.459 1.181 0.986
79 HB2 CYS 11 2HB CYS 11 -2.895 3.751 2.502
80 HB3 CYS 11 1HB CYS 11 -3.894 2.309 2.669
81 H PHE 12 H PHE 12 -3.877 0.752 -0.424
82 HA PHE 12 HA PHE 12 -4.915 2.860 -2.105
83 HB2 PHE 12 2HB PHE 12 -5.287 -0.147 -2.207
84 HB3 PHE 12 1HB PHE 12 -5.837 0.993 -3.425
85 HD1 PHE 12 1HD PHE 12 -4.130 2.286 -4.740
86 HD2 PHE 12 2HD PHE 12 -3.077 -0.981 -2.215
87 HE1 PHE 12 1HE PHE 12 -1.985 2.061 -5.923
88 HE2 PHE 12 2HE PHE 12 -0.938 -1.206 -3.397
89 HZ PHE 12 HZ PHE 12 -0.384 0.315 -5.252
90 HA PRO 13 HA PRO 13 -8.736 3.300 0.075
91 HB2 PRO 13 2HB PRO 13 -10.500 3.568 -2.019
92 HB3 PRO 13 1HB PRO 13 -9.484 4.870 -1.402
93 HG2 PRO 13 2HG PRO 13 -9.041 3.075 -3.752
94 HG3 PRO 13 1HG PRO 13 -8.757 4.820 -3.607
95 HD2 PRO 13 2HD PRO 13 -6.739 3.081 -3.475
96 HD3 PRO 13 1HD PRO 13 -6.770 4.523 -2.440
97 H ASN 14 H ASN 14 -8.248 0.709 -2.081
98 HA ASN 14 HA ASN 14 -10.694 -0.661 -1.593
99 HB2 ASN 14 2HB ASN 14 -9.593 -2.704 -2.491
100 HB3 ASN 14 1HB ASN 14 -9.397 -1.321 -3.551
101 HD21 ASN 14 1HD2 ASN 14 -7.667 -2.391 -4.545
102 HD22 ASN 14 2HD2 ASN 14 -6.106 -2.499 -3.816
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -8.010 -0.202 0.522
2 HA2 GLY 1 2HA GLY 1 -8.163 -0.466 2.874
3 HA3 GLY 1 1HA GLY 1 -9.092 -1.936 2.607
4 H LYS 2 H LYS 2 -6.330 -1.576 0.637
5 HA LYS 2 HA LYS 2 -4.752 -3.171 2.508
6 HB2 LYS 2 2HB LYS 2 -5.680 -4.700 0.805
7 HB3 LYS 2 1HB LYS 2 -4.990 -3.696 -0.468
8 HG2 LYS 2 2HG LYS 2 -2.735 -4.115 0.543
9 HG3 LYS 2 1HG LYS 2 -3.509 -5.270 1.616
10 HD2 LYS 2 2HD LYS 2 -4.183 -6.625 -0.273
11 HD3 LYS 2 1HD LYS 2 -3.521 -5.428 -1.392
12 HE2 LYS 2 2HE LYS 2 -1.961 -7.044 0.629
13 HE3 LYS 2 1HE LYS 2 -1.961 -7.280 -1.114
14 HZ1 LYS 2 1HZ LYS 2 -0.933 -4.842 0.295
15 HZ2 LYS 2 2HZ LYS 2 -0.997 -5.057 -1.367
16 HZ3 LYS 2 3HZ LYS 2 -0.005 -6.046 -0.433
17 H CYS 3 H CYS 3 -2.683 -2.562 2.664
18 HA CYS 3 HA CYS 3 -1.851 -0.379 0.930
19 HB2 CYS 3 2HB CYS 3 -0.629 -1.323 3.536
20 HB3 CYS 3 1HB CYS 3 -0.139 0.093 2.615
21 H LEU 4 H LEU 4 -0.108 -0.509 -0.293
22 HA LEU 4 HA LEU 4 1.105 -3.108 -0.637
23 HB2 LEU 4 2HB LEU 4 0.474 -1.915 -2.641
24 HB3 LEU 4 1HB LEU 4 1.379 -0.500 -2.135
25 HG LEU 4 HG LEU 4 3.462 -1.798 -2.341
26 HD11 LEU 4 1HD1 LEU 4 1.668 -3.932 -3.494
27 HD12 LEU 4 2HD1 LEU 4 2.593 -4.036 -1.994
28 HD13 LEU 4 3HD1 LEU 4 3.431 -3.938 -3.540
29 HD21 LEU 4 1HD2 LEU 4 3.508 -1.847 -4.763
30 HD22 LEU 4 2HD2 LEU 4 2.707 -0.399 -4.136
31 HD23 LEU 4 3HD2 LEU 4 1.743 -1.732 -4.794
32 H PHE 5 H PHE 5 2.634 -3.502 0.671
33 HA PHE 5 HA PHE 5 3.926 -1.422 2.122
34 HB2 PHE 5 2HB PHE 5 4.332 -4.408 2.204
35 HB3 PHE 5 1HB PHE 5 5.143 -3.267 3.272
36 HD1 PHE 5 1HD PHE 5 2.325 -5.355 2.898
37 HD2 PHE 5 2HD PHE 5 3.562 -1.650 4.591
38 HE1 PHE 5 1HE PHE 5 0.401 -5.411 4.418
39 HE2 PHE 5 2HE PHE 5 1.636 -1.705 6.115
40 HZ PHE 5 HZ PHE 5 0.054 -3.586 6.033
41 H SER 6 H SER 6 5.459 -0.340 1.465
42 HA SER 6 HA SER 6 7.678 -1.359 -0.019
43 HB2 SER 6 2HB SER 6 5.913 -0.863 -1.749
44 HB3 SER 6 1HB SER 6 5.763 0.763 -1.100
45 HG SER 6 HG SER 6 7.746 -0.392 -2.662
46 H ASN 7 H ASN 7 8.616 1.204 -0.604
47 HA ASN 7 HA ASN 7 8.446 2.626 1.957
48 HB2 ASN 7 2HB ASN 7 10.679 1.699 1.782
49 HB3 ASN 7 1HB ASN 7 10.863 2.340 0.155
50 HD21 ASN 7 1HD2 ASN 7 10.887 3.109 3.547
51 HD22 ASN 7 2HD2 ASN 7 11.530 4.702 3.376
52 HA PRO 8 HA PRO 8 7.112 3.823 2.555
53 HB2 PRO 8 2HB PRO 8 4.929 5.614 1.927
54 HB3 PRO 8 1HB PRO 8 6.214 5.845 3.111
55 HG2 PRO 8 2HG PRO 8 5.966 7.372 0.880
56 HG3 PRO 8 1HG PRO 8 7.527 7.032 1.649
57 HD2 PRO 8 2HD PRO 8 6.254 5.683 -0.712
58 HD3 PRO 8 1HD PRO 8 7.923 6.277 -0.527
59 HA PRO 9 HA PRO 9 3.828 0.996 1.295
60 HB2 PRO 9 2HB PRO 9 2.280 1.866 3.672
61 HB3 PRO 9 1HB PRO 9 2.828 0.246 3.230
62 HG2 PRO 9 2HG PRO 9 4.005 1.566 5.213
63 HG3 PRO 9 1HG PRO 9 4.962 0.600 4.075
64 HD2 PRO 9 2HD PRO 9 4.560 3.572 4.154
65 HD3 PRO 9 1HD PRO 9 6.050 2.642 3.881
66 H ILE 10 H ILE 10 2.508 1.460 -0.289
67 HA ILE 10 HA ILE 10 1.024 3.962 -0.367
68 HB ILE 10 HB ILE 10 1.113 1.724 -2.423
69 HG12 ILE 10 2HG1 ILE 10 2.718 4.294 -2.364
70 HG13 ILE 10 1HG1 ILE 10 3.362 2.700 -1.991
71 HG21 ILE 10 1HG2 ILE 10 -0.820 3.191 -2.650
72 HG22 ILE 10 2HG2 ILE 10 0.309 3.436 -3.981
73 HG23 ILE 10 3HG2 ILE 10 0.234 4.609 -2.662
74 HD11 ILE 10 1HD1 ILE 10 2.886 1.981 -4.281
75 HD12 ILE 10 2HD1 ILE 10 3.948 3.388 -4.249
76 HD13 ILE 10 3HD1 ILE 10 2.239 3.579 -4.645
77 H CYS 11 H CYS 11 -0.894 3.951 0.642
78 HA CYS 11 HA CYS 11 -2.303 1.435 0.897
79 HB2 CYS 11 2HB CYS 11 -2.708 4.090 2.253
80 HB3 CYS 11 1HB CYS 11 -3.725 2.676 2.518
81 H PHE 12 H PHE 12 -3.786 0.874 -0.458
82 HA PHE 12 HA PHE 12 -4.942 2.880 -2.197
83 HB2 PHE 12 2HB PHE 12 -4.993 -0.148 -2.281
84 HB3 PHE 12 1HB PHE 12 -5.773 0.887 -3.467
85 HD1 PHE 12 1HD PHE 12 -4.400 2.301 -4.963
86 HD2 PHE 12 2HD PHE 12 -2.662 -0.559 -2.342
87 HE1 PHE 12 1HE PHE 12 -2.320 2.386 -6.256
88 HE2 PHE 12 2HE PHE 12 -0.575 -0.479 -3.640
89 HZ PHE 12 HZ PHE 12 -0.403 0.999 -5.600
90 HA PRO 13 HA PRO 13 -8.798 3.085 -0.116
91 HB2 PRO 13 2HB PRO 13 -10.573 3.247 -2.197
92 HB3 PRO 13 1HB PRO 13 -9.558 4.586 -1.650
93 HG2 PRO 13 2HG PRO 13 -9.137 2.703 -3.932
94 HG3 PRO 13 1HG PRO 13 -8.885 4.454 -3.866
95 HD2 PRO 13 2HD PRO 13 -6.841 2.728 -3.688
96 HD3 PRO 13 1HD PRO 13 -6.854 4.248 -2.777
97 H ASN 14 H ASN 14 -8.029 0.305 -1.782
98 HA ASN 14 HA ASN 14 -10.572 -1.031 -1.466
99 HB2 ASN 14 2HB ASN 14 -9.447 -3.061 -2.193
100 HB3 ASN 14 1HB ASN 14 -9.016 -1.754 -3.275
101 HD21 ASN 14 1HD2 ASN 14 -7.672 -4.250 -2.790
102 HD22 ASN 14 2HD2 ASN 14 -6.066 -3.880 -2.295
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -7.747 0.120 0.371
2 HA2 GLY 1 2HA GLY 1 -7.852 0.251 2.770
3 HA3 GLY 1 1HA GLY 1 -8.701 -1.284 2.776
4 H LYS 2 H LYS 2 -6.625 -2.132 0.652
5 HA LYS 2 HA LYS 2 -4.807 -3.150 2.640
6 HB2 LYS 2 2HB LYS 2 -5.378 -3.902 -0.202
7 HB3 LYS 2 1HB LYS 2 -3.868 -4.408 0.534
8 HG2 LYS 2 2HG LYS 2 -5.564 -6.168 0.668
9 HG3 LYS 2 1HG LYS 2 -5.079 -5.611 2.262
10 HD2 LYS 2 2HD LYS 2 -7.127 -4.221 2.357
11 HD3 LYS 2 1HD LYS 2 -7.613 -4.875 0.792
12 HE2 LYS 2 2HE LYS 2 -7.717 -7.106 1.701
13 HE3 LYS 2 1HE LYS 2 -7.069 -6.548 3.241
14 HZ1 LYS 2 1HZ LYS 2 -9.069 -5.219 3.544
15 HZ2 LYS 2 2HZ LYS 2 -9.432 -6.849 3.349
16 HZ3 LYS 2 3HZ LYS 2 -9.708 -5.793 2.084
17 H CYS 3 H CYS 3 -2.579 -3.022 2.536
18 HA CYS 3 HA CYS 3 -1.650 -0.625 1.121
19 HB2 CYS 3 2HB CYS 3 -0.588 -1.783 3.703
20 HB3 CYS 3 1HB CYS 3 -0.025 -0.313 2.919
21 H LEU 4 H LEU 4 0.152 -0.635 -0.003
22 HA LEU 4 HA LEU 4 1.307 -3.166 -0.793
23 HB2 LEU 4 2HB LEU 4 0.721 -1.400 -2.421
24 HB3 LEU 4 1HB LEU 4 1.847 -0.320 -1.632
25 HG LEU 4 HG LEU 4 3.696 -1.823 -2.282
26 HD11 LEU 4 1HD1 LEU 4 3.292 -3.511 -4.014
27 HD12 LEU 4 2HD1 LEU 4 1.556 -3.243 -3.861
28 HD13 LEU 4 3HD1 LEU 4 2.471 -3.905 -2.506
29 HD21 LEU 4 1HD2 LEU 4 3.695 -1.197 -4.654
30 HD22 LEU 4 2HD2 LEU 4 3.189 0.128 -3.609
31 HD23 LEU 4 3HD2 LEU 4 1.986 -0.774 -4.532
32 H PHE 5 H PHE 5 3.205 -3.903 0.037
33 HA PHE 5 HA PHE 5 4.496 -2.238 1.995
34 HB2 PHE 5 2HB PHE 5 5.045 -5.121 1.284
35 HB3 PHE 5 1HB PHE 5 5.809 -4.236 2.599
36 HD1 PHE 5 1HD PHE 5 3.912 -2.952 4.117
37 HD2 PHE 5 2HD PHE 5 3.409 -6.574 1.934
38 HE1 PHE 5 1HE PHE 5 2.086 -3.603 5.623
39 HE2 PHE 5 2HE PHE 5 1.584 -7.224 3.440
40 HZ PHE 5 HZ PHE 5 0.917 -5.739 5.286
41 H SER 6 H SER 6 5.202 -0.765 0.542
42 HA SER 6 HA SER 6 7.973 -1.118 -0.097
43 HB2 SER 6 2HB SER 6 5.991 -0.192 -2.225
44 HB3 SER 6 1HB SER 6 7.750 -0.212 -2.382
45 HG SER 6 HG SER 6 6.901 -2.595 -1.606
46 H ASN 7 H ASN 7 8.653 0.504 1.120
47 HA ASN 7 HA ASN 7 6.930 2.585 1.939
48 HB2 ASN 7 2HB ASN 7 9.878 2.170 2.401
49 HB3 ASN 7 1HB ASN 7 9.038 3.605 2.967
50 HD21 ASN 7 1HD2 ASN 7 9.411 3.128 5.101
51 HD22 ASN 7 2HD2 ASN 7 8.633 1.854 5.938
52 HA PRO 8 HA PRO 8 6.655 4.571 2.638
53 HB2 PRO 8 2HB PRO 8 4.946 6.404 1.105
54 HB3 PRO 8 1HB PRO 8 5.919 6.750 2.535
55 HG2 PRO 8 2HG PRO 8 6.578 7.733 0.126
56 HG3 PRO 8 1HG PRO 8 7.815 7.237 1.295
57 HD2 PRO 8 2HD PRO 8 6.732 5.728 -1.064
58 HD3 PRO 8 1HD PRO 8 8.425 5.990 -0.591
59 HA PRO 9 HA PRO 9 3.775 1.434 1.444
60 HB2 PRO 9 2HB PRO 9 2.039 1.675 3.608
61 HB3 PRO 9 1HB PRO 9 3.505 0.695 3.572
62 HG2 PRO 9 2HG PRO 9 3.063 3.403 4.725
63 HG3 PRO 9 1HG PRO 9 4.101 2.092 5.306
64 HD2 PRO 9 2HD PRO 9 5.067 4.264 4.039
65 HD3 PRO 9 1HD PRO 9 5.823 2.665 3.882
66 H ILE 10 H ILE 10 2.497 1.741 -0.165
67 HA ILE 10 HA ILE 10 0.633 3.934 -0.319
68 HB ILE 10 HB ILE 10 1.040 1.599 -2.229
69 HG12 ILE 10 2HG1 ILE 10 2.089 4.432 -2.388
70 HG13 ILE 10 1HG1 ILE 10 3.060 3.015 -1.992
71 HG21 ILE 10 1HG2 ILE 10 -1.151 2.585 -2.468
72 HG22 ILE 10 2HG2 ILE 10 -0.133 2.959 -3.860
73 HG23 ILE 10 3HG2 ILE 10 -0.430 4.191 -2.629
74 HD11 ILE 10 1HD1 ILE 10 2.600 2.110 -4.228
75 HD12 ILE 10 2HD1 ILE 10 3.386 3.686 -4.303
76 HD13 ILE 10 3HD1 ILE 10 1.653 3.548 -4.603
77 H CYS 11 H CYS 11 -1.165 3.706 0.869
78 HA CYS 11 HA CYS 11 -2.391 1.085 0.956
79 HB2 CYS 11 2HB CYS 11 -3.013 3.587 2.538
80 HB3 CYS 11 1HB CYS 11 -3.849 2.044 2.719
81 H PHE 12 H PHE 12 -3.700 0.587 -0.486
82 HA PHE 12 HA PHE 12 -4.648 2.438 -2.424
83 HB2 PHE 12 2HB PHE 12 -5.434 -0.449 -2.013
84 HB3 PHE 12 1HB PHE 12 -5.606 0.492 -3.479
85 HD1 PHE 12 1HD PHE 12 -3.248 1.462 -4.381
86 HD2 PHE 12 2HD PHE 12 -3.733 -1.960 -1.894
87 HE1 PHE 12 1HE PHE 12 -1.109 0.565 -5.187
88 HE2 PHE 12 2HE PHE 12 -1.595 -2.846 -2.691
89 HZ PHE 12 HZ PHE 12 -0.279 -1.584 -4.347
90 HA PRO 13 HA PRO 13 -8.675 3.516 -0.801
91 HB2 PRO 13 2HB PRO 13 -9.847 2.609 -3.382
92 HB3 PRO 13 1HB PRO 13 -10.005 4.165 -2.564
93 HG2 PRO 13 2HG PRO 13 -8.442 3.919 -4.693
94 HG3 PRO 13 1HG PRO 13 -7.944 4.921 -3.316
95 HD2 PRO 13 2HD PRO 13 -7.020 2.193 -4.114
96 HD3 PRO 13 1HD PRO 13 -6.099 3.550 -3.437
97 H ASN 14 H ASN 14 -8.235 0.353 -2.165
98 HA ASN 14 HA ASN 14 -10.667 -0.730 -1.135
99 HB2 ASN 14 2HB ASN 14 -9.706 -2.976 -1.628
100 HB3 ASN 14 1HB ASN 14 -9.673 -1.891 -3.008
101 HD21 ASN 14 1HD2 ASN 14 -7.726 -1.309 -3.868
102 HD22 ASN 14 2HD2 ASN 14 -6.230 -1.986 -3.384
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -8.478 -0.330 0.638
2 HA2 GLY 1 2HA GLY 1 -7.969 -1.745 2.397
3 HA3 GLY 1 1HA GLY 1 -9.003 -2.968 1.671
4 H LYS 2 H LYS 2 -6.058 -1.255 0.692
5 HA LYS 2 HA LYS 2 -4.617 -3.762 0.552
6 HB2 LYS 2 2HB LYS 2 -5.741 -3.539 -1.680
7 HB3 LYS 2 1HB LYS 2 -4.962 -1.986 -1.882
8 HG2 LYS 2 2HG LYS 2 -3.765 -3.627 -3.160
9 HG3 LYS 2 1HG LYS 2 -2.758 -3.102 -1.813
10 HD2 LYS 2 2HD LYS 2 -2.573 -5.497 -2.055
11 HD3 LYS 2 1HD LYS 2 -3.447 -5.146 -0.568
12 HE2 LYS 2 2HE LYS 2 -5.576 -5.564 -1.766
13 HE3 LYS 2 1HE LYS 2 -4.652 -5.975 -3.209
14 HZ1 LYS 2 1HZ LYS 2 -4.588 -7.399 -0.609
15 HZ2 LYS 2 2HZ LYS 2 -3.616 -7.779 -1.922
16 HZ3 LYS 2 3HZ LYS 2 -5.280 -7.972 -2.031
17 H CYS 3 H CYS 3 -2.523 -3.361 1.155
18 HA CYS 3 HA CYS 3 -1.589 -0.598 0.941
19 HB2 CYS 3 2HB CYS 3 -1.345 -2.427 3.325
20 HB3 CYS 3 1HB CYS 3 -0.360 -0.989 3.107
21 H LEU 4 H LEU 4 0.432 -0.331 0.315
22 HA LEU 4 HA LEU 4 2.004 -2.693 -0.256
23 HB2 LEU 4 2HB LEU 4 2.468 0.232 -0.812
24 HB3 LEU 4 1HB LEU 4 3.661 -1.006 -1.149
25 HG LEU 4 HG LEU 4 0.915 -0.981 -2.305
26 HD11 LEU 4 1HD1 LEU 4 2.243 0.991 -3.069
27 HD12 LEU 4 2HD1 LEU 4 2.003 -0.160 -4.385
28 HD13 LEU 4 3HD1 LEU 4 3.546 -0.102 -3.535
29 HD21 LEU 4 1HD2 LEU 4 3.393 -2.527 -3.038
30 HD22 LEU 4 2HD2 LEU 4 1.874 -2.572 -3.926
31 HD23 LEU 4 3HD2 LEU 4 1.943 -3.173 -2.272
32 H PHE 5 H PHE 5 3.751 -3.168 0.750
33 HA PHE 5 HA PHE 5 4.185 -1.740 3.282
34 HB2 PHE 5 2HB PHE 5 4.772 -4.652 2.674
35 HB3 PHE 5 1HB PHE 5 5.124 -3.855 4.208
36 HD1 PHE 5 1HD PHE 5 3.022 -2.536 5.197
37 HD2 PHE 5 2HD PHE 5 2.800 -5.867 2.578
38 HE1 PHE 5 1HE PHE 5 0.738 -2.985 5.979
39 HE2 PHE 5 2HE PHE 5 0.512 -6.325 3.351
40 HZ PHE 5 HZ PHE 5 -0.525 -4.883 5.053
41 H SER 6 H SER 6 5.366 -1.912 0.384
42 HA SER 6 HA SER 6 8.157 -1.638 1.039
43 HB2 SER 6 2HB SER 6 8.139 -1.146 -1.507
44 HB3 SER 6 1HB SER 6 7.744 -2.791 -0.995
45 HG SER 6 HG SER 6 6.020 -0.741 -1.896
46 H ASN 7 H ASN 7 9.159 0.446 0.819
47 HA ASN 7 HA ASN 7 7.317 2.601 1.359
48 HB2 ASN 7 2HB ASN 7 10.328 2.440 1.481
49 HB3 ASN 7 1HB ASN 7 9.468 3.959 1.672
50 HD21 ASN 7 1HD2 ASN 7 10.224 4.195 3.776
51 HD22 ASN 7 2HD2 ASN 7 9.576 3.268 5.072
52 HA PRO 8 HA PRO 8 7.009 4.738 1.290
53 HB2 PRO 8 2HB PRO 8 5.097 5.933 -0.583
54 HB3 PRO 8 1HB PRO 8 6.205 6.736 0.529
55 HG2 PRO 8 2HG PRO 8 6.550 6.801 -2.146
56 HG3 PRO 8 1HG PRO 8 7.909 6.811 -1.009
57 HD2 PRO 8 2HD PRO 8 6.787 4.525 -2.592
58 HD3 PRO 8 1HD PRO 8 8.482 4.969 -2.307
59 HA PRO 9 HA PRO 9 3.840 1.565 1.350
60 HB2 PRO 9 2HB PRO 9 2.833 2.826 3.806
61 HB3 PRO 9 1HB PRO 9 3.545 1.225 3.580
62 HG2 PRO 9 2HG PRO 9 4.844 3.189 4.879
63 HG3 PRO 9 1HG PRO 9 5.692 1.983 3.895
64 HD2 PRO 9 2HD PRO 9 4.966 4.807 3.225
65 HD3 PRO 9 1HD PRO 9 6.467 3.903 2.914
66 H ILE 10 H ILE 10 2.428 2.009 -0.232
67 HA ILE 10 HA ILE 10 0.562 4.213 0.047
68 HB ILE 10 HB ILE 10 0.806 2.188 -2.202
69 HG12 ILE 10 2HG1 ILE 10 2.812 3.644 -1.990
70 HG13 ILE 10 1HG1 ILE 10 1.921 3.941 -3.478
71 HG21 ILE 10 1HG2 ILE 10 -0.577 3.750 -3.491
72 HG22 ILE 10 2HG2 ILE 10 -0.741 4.770 -2.063
73 HG23 ILE 10 3HG2 ILE 10 -1.424 3.142 -2.067
74 HD11 ILE 10 1HD1 ILE 10 1.847 5.631 -0.987
75 HD12 ILE 10 2HD1 ILE 10 0.893 5.897 -2.444
76 HD13 ILE 10 3HD1 ILE 10 2.656 6.028 -2.512
77 H CYS 11 H CYS 11 -1.206 3.865 1.188
78 HA CYS 11 HA CYS 11 -2.448 1.244 1.019
79 HB2 CYS 11 2HB CYS 11 -2.744 3.452 3.052
80 HB3 CYS 11 1HB CYS 11 -3.890 2.117 2.945
81 H PHE 12 H PHE 12 -4.039 0.972 -0.193
82 HA PHE 12 HA PHE 12 -5.231 3.218 -1.583
83 HB2 PHE 12 2HB PHE 12 -5.518 0.232 -2.003
84 HB3 PHE 12 1HB PHE 12 -6.100 1.485 -3.085
85 HD1 PHE 12 1HD PHE 12 -4.456 2.844 -4.400
86 HD2 PHE 12 2HD PHE 12 -3.233 -0.483 -2.033
87 HE1 PHE 12 1HE PHE 12 -2.351 2.733 -5.640
88 HE2 PHE 12 2HE PHE 12 -1.123 -0.585 -3.275
89 HZ PHE 12 HZ PHE 12 -0.678 1.024 -5.082
90 HA PRO 13 HA PRO 13 -8.892 3.120 0.857
91 HB2 PRO 13 2HB PRO 13 -10.729 4.093 -0.870
92 HB3 PRO 13 1HB PRO 13 -9.431 5.089 -0.204
93 HG2 PRO 13 2HG PRO 13 -9.616 3.766 -2.874
94 HG3 PRO 13 1HG PRO 13 -9.046 5.394 -2.470
95 HD2 PRO 13 2HD PRO 13 -7.378 3.294 -2.945
96 HD3 PRO 13 1HD PRO 13 -6.955 4.646 -1.877
97 H ASN 14 H ASN 14 -8.341 0.849 -1.289
98 HA ASN 14 HA ASN 14 -11.013 -0.365 -1.236
99 HB2 ASN 14 2HB ASN 14 -10.168 -1.846 -3.064
100 HB3 ASN 14 1HB ASN 14 -10.205 -0.148 -3.500
101 HD21 ASN 14 1HD2 ASN 14 -8.707 -0.368 -5.097
102 HD22 ASN 14 2HD2 ASN 14 -7.039 -0.666 -4.804
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -8.150 -0.144 0.476
2 HA2 GLY 1 2HA GLY 1 -7.727 -0.808 2.684
3 HA3 GLY 1 1HA GLY 1 -8.528 -2.339 2.360
4 H LYS 2 H LYS 2 -6.406 -1.500 -0.053
5 HA LYS 2 HA LYS 2 -4.550 -3.569 0.807
6 HB2 LYS 2 2HB LYS 2 -5.463 -3.612 -1.489
7 HB3 LYS 2 1HB LYS 2 -4.711 -2.055 -1.798
8 HG2 LYS 2 2HG LYS 2 -2.509 -3.106 -1.289
9 HG3 LYS 2 1HG LYS 2 -3.338 -4.660 -1.222
10 HD2 LYS 2 2HD LYS 2 -4.127 -4.275 -3.546
11 HD3 LYS 2 1HD LYS 2 -3.155 -2.801 -3.587
12 HE2 LYS 2 2HE LYS 2 -1.874 -4.538 -4.618
13 HE3 LYS 2 1HE LYS 2 -1.160 -4.191 -3.048
14 HZ1 LYS 2 1HZ LYS 2 -1.289 -6.549 -3.342
15 HZ2 LYS 2 2HZ LYS 2 -2.916 -6.467 -3.735
16 HZ3 LYS 2 3HZ LYS 2 -2.439 -6.144 -2.167
17 H CYS 3 H CYS 3 -2.816 -2.939 1.927
18 HA CYS 3 HA CYS 3 -1.661 -0.352 1.243
19 HB2 CYS 3 2HB CYS 3 -1.436 -1.951 3.800
20 HB3 CYS 3 1HB CYS 3 -0.550 -0.463 3.472
21 H LEU 4 H LEU 4 0.404 -0.215 0.676
22 HA LEU 4 HA LEU 4 1.628 -2.659 -0.271
23 HB2 LEU 4 2HB LEU 4 2.390 0.219 -0.603
24 HB3 LEU 4 1HB LEU 4 3.292 -1.111 -1.291
25 HG LEU 4 HG LEU 4 0.451 -0.463 -1.866
26 HD11 LEU 4 1HD1 LEU 4 1.332 0.305 -4.075
27 HD12 LEU 4 2HD1 LEU 4 2.969 0.014 -3.488
28 HD13 LEU 4 3HD1 LEU 4 1.969 1.259 -2.736
29 HD21 LEU 4 1HD2 LEU 4 0.906 -2.824 -2.197
30 HD22 LEU 4 2HD2 LEU 4 2.313 -2.434 -3.191
31 HD23 LEU 4 3HD2 LEU 4 0.697 -2.034 -3.757
32 H PHE 5 H PHE 5 3.532 -3.350 0.221
33 HA PHE 5 HA PHE 5 4.534 -2.551 2.852
34 HB2 PHE 5 2HB PHE 5 5.031 -5.055 1.243
35 HB3 PHE 5 1HB PHE 5 5.885 -4.688 2.739
36 HD1 PHE 5 1HD PHE 5 2.692 -5.677 1.263
37 HD2 PHE 5 2HD PHE 5 4.739 -4.720 4.868
38 HE1 PHE 5 1HE PHE 5 0.850 -6.632 2.562
39 HE2 PHE 5 2HE PHE 5 2.903 -5.676 6.170
40 HZ PHE 5 HZ PHE 5 0.947 -6.639 5.019
41 H SER 6 H SER 6 5.194 -2.010 -0.323
42 HA SER 6 HA SER 6 8.033 -1.655 -0.059
43 HB2 SER 6 2HB SER 6 6.081 -0.664 -2.144
44 HB3 SER 6 1HB SER 6 7.838 -0.613 -2.280
45 HG SER 6 HG SER 6 6.563 -3.030 -1.709
46 H ASN 7 H ASN 7 9.007 0.201 0.594
47 HA ASN 7 HA ASN 7 7.302 2.275 1.694
48 HB2 ASN 7 2HB ASN 7 9.341 1.285 2.876
49 HB3 ASN 7 1HB ASN 7 10.327 2.139 1.699
50 HD21 ASN 7 1HD2 ASN 7 8.296 2.418 4.468
51 HD22 ASN 7 2HD2 ASN 7 8.631 4.069 4.821
52 HA PRO 8 HA PRO 8 7.106 4.486 2.004
53 HB2 PRO 8 2HB PRO 8 5.422 6.124 0.248
54 HB3 PRO 8 1HB PRO 8 6.474 6.640 1.569
55 HG2 PRO 8 2HG PRO 8 7.056 7.170 -1.010
56 HG3 PRO 8 1HG PRO 8 8.316 6.841 0.197
57 HD2 PRO 8 2HD PRO 8 7.123 4.986 -1.836
58 HD3 PRO 8 1HD PRO 8 8.834 5.251 -1.428
59 HA PRO 9 HA PRO 9 3.738 1.615 1.204
60 HB2 PRO 9 2HB PRO 9 2.605 2.326 3.795
61 HB3 PRO 9 1HB PRO 9 3.378 0.817 3.303
62 HG2 PRO 9 2HG PRO 9 4.519 2.512 5.071
63 HG3 PRO 9 1HG PRO 9 5.466 1.521 3.947
64 HD2 PRO 9 2HD PRO 9 4.706 4.412 3.740
65 HD3 PRO 9 1HD PRO 9 6.273 3.618 3.441
66 H ILE 10 H ILE 10 2.197 2.267 -0.212
67 HA ILE 10 HA ILE 10 0.439 4.464 0.561
68 HB ILE 10 HB ILE 10 0.436 2.944 -2.089
69 HG12 ILE 10 2HG1 ILE 10 1.199 5.260 -2.990
70 HG13 ILE 10 1HG1 ILE 10 1.737 5.543 -1.340
71 HG21 ILE 10 1HG2 ILE 10 -1.737 3.872 -1.591
72 HG22 ILE 10 2HG2 ILE 10 -0.995 4.737 -2.937
73 HG23 ILE 10 3HG2 ILE 10 -1.022 5.464 -1.330
74 HD11 ILE 10 1HD1 ILE 10 3.140 3.559 -1.484
75 HD12 ILE 10 2HD1 ILE 10 3.538 4.779 -2.698
76 HD13 ILE 10 3HD1 ILE 10 2.615 3.339 -3.156
77 H CYS 11 H CYS 11 -1.605 4.137 1.111
78 HA CYS 11 HA CYS 11 -2.608 1.406 1.014
79 HB2 CYS 11 2HB CYS 11 -3.323 3.725 2.814
80 HB3 CYS 11 1HB CYS 11 -4.274 2.247 2.716
81 H PHE 12 H PHE 12 -4.157 0.994 -0.310
82 HA PHE 12 HA PHE 12 -5.266 3.177 -1.877
83 HB2 PHE 12 2HB PHE 12 -5.294 0.184 -2.310
84 HB3 PHE 12 1HB PHE 12 -5.912 1.369 -3.451
85 HD1 PHE 12 1HD PHE 12 -3.124 -0.561 -2.518
86 HD2 PHE 12 2HD PHE 12 -4.186 3.189 -4.221
87 HE1 PHE 12 1HE PHE 12 -0.901 -0.384 -3.527
88 HE2 PHE 12 2HE PHE 12 -1.966 3.363 -5.225
89 HZ PHE 12 HZ PHE 12 -0.318 1.585 -4.885
90 HA PRO 13 HA PRO 13 -9.304 3.214 -0.121
91 HB2 PRO 13 2HB PRO 13 -10.930 2.933 -2.355
92 HB3 PRO 13 1HB PRO 13 -10.217 4.448 -1.800
93 HG2 PRO 13 2HG PRO 13 -9.260 2.556 -3.911
94 HG3 PRO 13 1HG PRO 13 -9.292 4.327 -3.933
95 HD2 PRO 13 2HD PRO 13 -7.022 3.046 -3.491
96 HD3 PRO 13 1HD PRO 13 -7.421 4.493 -2.549
97 H ASN 14 H ASN 14 -8.389 0.426 -1.903
98 HA ASN 14 HA ASN 14 -10.784 -1.030 -1.153
99 HB2 ASN 14 2HB ASN 14 -9.866 -2.914 -2.444
100 HB3 ASN 14 1HB ASN 14 -9.914 -1.451 -3.408
101 HD21 ASN 14 1HD2 ASN 14 -8.348 -3.828 -3.771
102 HD22 ASN 14 2HD2 ASN 14 -6.700 -3.350 -3.794
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -8.075 0.019 0.495
2 HA2 GLY 1 2HA GLY 1 -7.214 -0.482 2.607
3 HA3 GLY 1 1HA GLY 1 -8.367 -1.814 2.745
4 H LYS 2 H LYS 2 -6.002 -0.875 0.331
5 HA LYS 2 HA LYS 2 -4.771 -3.520 0.630
6 HB2 LYS 2 2HB LYS 2 -6.221 -3.320 -1.407
7 HB3 LYS 2 1HB LYS 2 -5.198 -2.013 -1.957
8 HG2 LYS 2 2HG LYS 2 -3.336 -3.517 -2.225
9 HG3 LYS 2 1HG LYS 2 -4.265 -4.844 -1.511
10 HD2 LYS 2 2HD LYS 2 -5.924 -4.617 -3.343
11 HD3 LYS 2 1HD LYS 2 -4.908 -3.376 -4.072
12 HE2 LYS 2 2HE LYS 2 -4.051 -6.222 -3.560
13 HE3 LYS 2 1HE LYS 2 -4.655 -5.623 -5.100
14 HZ1 LYS 2 1HZ LYS 2 -2.261 -5.720 -5.012
15 HZ2 LYS 2 2HZ LYS 2 -2.189 -4.676 -3.726
16 HZ3 LYS 2 3HZ LYS 2 -2.749 -4.129 -5.226
17 H CYS 3 H CYS 3 -3.012 -2.949 1.723
18 HA CYS 3 HA CYS 3 -1.482 -0.615 0.861
19 HB2 CYS 3 2HB CYS 3 -1.350 -2.197 3.422
20 HB3 CYS 3 1HB CYS 3 -0.327 -0.825 3.030
21 H LEU 4 H LEU 4 0.536 -0.723 0.284
22 HA LEU 4 HA LEU 4 1.725 -3.352 -0.146
23 HB2 LEU 4 2HB LEU 4 2.438 -0.651 -1.276
24 HB3 LEU 4 1HB LEU 4 3.407 -2.087 -1.506
25 HG LEU 4 HG LEU 4 2.241 -1.773 -3.450
26 HD11 LEU 4 1HD1 LEU 4 0.822 -3.738 -3.686
27 HD12 LEU 4 2HD1 LEU 4 0.770 -3.896 -1.933
28 HD13 LEU 4 3HD1 LEU 4 2.303 -4.071 -2.788
29 HD21 LEU 4 1HD2 LEU 4 -0.213 -1.534 -3.622
30 HD22 LEU 4 2HD2 LEU 4 0.547 -0.202 -2.754
31 HD23 LEU 4 3HD2 LEU 4 -0.305 -1.465 -1.862
32 H PHE 5 H PHE 5 3.737 -3.763 0.532
33 HA PHE 5 HA PHE 5 4.407 -2.407 3.040
34 HB2 PHE 5 2HB PHE 5 5.460 -4.992 1.860
35 HB3 PHE 5 1HB PHE 5 5.848 -4.368 3.459
36 HD1 PHE 5 1HD PHE 5 3.649 -6.396 1.577
37 HD2 PHE 5 2HD PHE 5 3.869 -3.980 5.064
38 HE1 PHE 5 1HE PHE 5 1.679 -7.545 2.499
39 HE2 PHE 5 2HE PHE 5 1.911 -5.118 5.989
40 HZ PHE 5 HZ PHE 5 0.807 -6.905 4.707
41 H SER 6 H SER 6 4.934 -1.244 0.494
42 HA SER 6 HA SER 6 7.770 -1.302 -0.003
43 HB2 SER 6 2HB SER 6 5.592 0.457 -1.145
44 HB3 SER 6 1HB SER 6 7.188 0.163 -1.836
45 HG SER 6 HG SER 6 6.549 -2.094 -1.861
46 H ASN 7 H ASN 7 8.633 1.103 -0.358
47 HA ASN 7 HA ASN 7 7.813 2.831 1.856
48 HB2 ASN 7 2HB ASN 7 10.576 2.102 0.914
49 HB3 ASN 7 1HB ASN 7 10.299 3.675 1.643
50 HD21 ASN 7 1HD2 ASN 7 11.919 1.393 2.528
51 HD22 ASN 7 2HD2 ASN 7 11.357 1.012 4.107
52 HA PRO 8 HA PRO 8 6.866 4.535 2.170
53 HB2 PRO 8 2HB PRO 8 4.721 5.981 1.427
54 HB3 PRO 8 1HB PRO 8 6.302 6.730 1.679
55 HG2 PRO 8 2HG PRO 8 4.995 5.895 -0.882
56 HG3 PRO 8 1HG PRO 8 5.846 7.403 -0.508
57 HD2 PRO 8 2HD PRO 8 7.012 5.345 -1.841
58 HD3 PRO 8 1HD PRO 8 7.920 6.454 -0.796
59 HA PRO 9 HA PRO 9 3.921 1.267 1.414
60 HB2 PRO 9 2HB PRO 9 2.424 1.842 3.816
61 HB3 PRO 9 1HB PRO 9 3.602 0.556 3.554
62 HG2 PRO 9 2HG PRO 9 4.015 2.689 5.237
63 HG3 PRO 9 1HG PRO 9 5.311 1.767 4.467
64 HD2 PRO 9 2HD PRO 9 4.149 4.401 3.702
65 HD3 PRO 9 1HD PRO 9 5.839 3.853 3.677
66 H ILE 10 H ILE 10 2.766 1.981 -0.299
67 HA ILE 10 HA ILE 10 0.779 4.023 -0.151
68 HB ILE 10 HB ILE 10 1.154 1.908 -2.307
69 HG12 ILE 10 2HG1 ILE 10 2.297 4.716 -2.159
70 HG13 ILE 10 1HG1 ILE 10 3.214 3.241 -1.894
71 HG21 ILE 10 1HG2 ILE 10 -1.018 3.026 -2.421
72 HG22 ILE 10 2HG2 ILE 10 0.003 3.512 -3.774
73 HG23 ILE 10 3HG2 ILE 10 -0.221 4.600 -2.404
74 HD11 ILE 10 1HD1 ILE 10 3.597 4.137 -4.120
75 HD12 ILE 10 2HD1 ILE 10 1.872 4.050 -4.467
76 HD13 ILE 10 3HD1 ILE 10 2.793 2.568 -4.209
77 H CYS 11 H CYS 11 -1.386 3.820 0.177
78 HA CYS 11 HA CYS 11 -2.461 1.123 0.510
79 HB2 CYS 11 2HB CYS 11 -2.908 3.526 2.270
80 HB3 CYS 11 1HB CYS 11 -3.914 2.083 2.327
81 H PHE 12 H PHE 12 -3.926 0.775 -0.910
82 HA PHE 12 HA PHE 12 -5.259 2.961 -2.189
83 HB2 PHE 12 2HB PHE 12 -5.326 -0.028 -2.654
84 HB3 PHE 12 1HB PHE 12 -6.291 1.108 -3.596
85 HD1 PHE 12 1HD PHE 12 -2.937 -0.206 -3.007
86 HD2 PHE 12 2HD PHE 12 -5.224 2.760 -5.034
87 HE1 PHE 12 1HE PHE 12 -1.017 0.287 -4.463
88 HE2 PHE 12 2HE PHE 12 -3.315 3.249 -6.481
89 HZ PHE 12 HZ PHE 12 -1.201 2.015 -6.198
90 HA PRO 13 HA PRO 13 -8.791 3.500 0.189
91 HB2 PRO 13 2HB PRO 13 -10.575 3.152 -2.136
92 HB3 PRO 13 1HB PRO 13 -10.355 4.551 -1.080
93 HG2 PRO 13 2HG PRO 13 -9.364 4.570 -3.544
94 HG3 PRO 13 1HG PRO 13 -8.443 5.259 -2.196
95 HD2 PRO 13 2HD PRO 13 -8.125 2.626 -3.563
96 HD3 PRO 13 1HD PRO 13 -6.882 3.786 -3.051
97 H ASN 14 H ASN 14 -8.862 0.603 -1.686
98 HA ASN 14 HA ASN 14 -11.216 -0.435 -0.398
99 HB2 ASN 14 2HB ASN 14 -10.680 -2.561 -1.535
100 HB3 ASN 14 1HB ASN 14 -10.710 -1.206 -2.651
101 HD21 ASN 14 1HD2 ASN 14 -9.410 -3.832 -2.777
102 HD22 ASN 14 2HD2 ASN 14 -7.749 -3.498 -3.111
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -8.139 0.181 0.647
2 HA2 GLY 1 2HA GLY 1 -7.950 -0.222 2.939
3 HA3 GLY 1 1HA GLY 1 -9.151 -1.497 2.780
4 H LYS 2 H LYS 2 -6.129 -1.073 0.995
5 HA LYS 2 HA LYS 2 -4.884 -3.133 2.580
6 HB2 LYS 2 2HB LYS 2 -5.956 -4.397 0.705
7 HB3 LYS 2 1HB LYS 2 -5.075 -3.391 -0.444
8 HG2 LYS 2 2HG LYS 2 -2.949 -4.180 0.574
9 HG3 LYS 2 1HG LYS 2 -3.884 -5.268 1.584
10 HD2 LYS 2 2HD LYS 2 -4.721 -6.375 -0.454
11 HD3 LYS 2 1HD LYS 2 -3.704 -5.301 -1.422
12 HE2 LYS 2 2HE LYS 2 -2.749 -7.273 0.659
13 HE3 LYS 2 1HE LYS 2 -2.606 -7.443 -1.089
14 HZ1 LYS 2 1HZ LYS 2 -1.126 -5.526 -1.121
15 HZ2 LYS 2 2HZ LYS 2 -0.532 -6.694 -0.082
16 HZ3 LYS 2 3HZ LYS 2 -1.245 -5.334 0.550
17 H CYS 3 H CYS 3 -2.686 -2.921 2.591
18 HA CYS 3 HA CYS 3 -1.637 -0.706 1.016
19 HB2 CYS 3 2HB CYS 3 -0.692 -1.784 3.672
20 HB3 CYS 3 1HB CYS 3 0.087 -0.491 2.768
21 H LEU 4 H LEU 4 0.158 -0.974 -0.096
22 HA LEU 4 HA LEU 4 1.271 -3.659 -0.344
23 HB2 LEU 4 2HB LEU 4 0.528 -2.690 -2.422
24 HB3 LEU 4 1HB LEU 4 1.377 -1.201 -2.079
25 HG LEU 4 HG LEU 4 3.529 -2.378 -2.340
26 HD11 LEU 4 1HD1 LEU 4 3.590 -4.607 -3.312
27 HD12 LEU 4 2HD1 LEU 4 1.838 -4.726 -3.168
28 HD13 LEU 4 3HD1 LEU 4 2.837 -4.622 -1.717
29 HD21 LEU 4 1HD2 LEU 4 3.398 -2.641 -4.764
30 HD22 LEU 4 2HD2 LEU 4 2.541 -1.202 -4.214
31 HD23 LEU 4 3HD2 LEU 4 1.637 -2.647 -4.665
32 H PHE 5 H PHE 5 3.062 -3.992 0.690
33 HA PHE 5 HA PHE 5 4.412 -2.060 2.158
34 HB2 PHE 5 2HB PHE 5 6.184 -3.901 2.418
35 HB3 PHE 5 1HB PHE 5 4.564 -4.255 2.993
36 HD1 PHE 5 1HD PHE 5 7.105 -5.033 0.480
37 HD2 PHE 5 2HD PHE 5 3.177 -5.899 1.867
38 HE1 PHE 5 1HE PHE 5 7.066 -7.066 -0.898
39 HE2 PHE 5 2HE PHE 5 3.132 -7.922 0.486
40 HZ PHE 5 HZ PHE 5 5.085 -8.508 -0.900
41 H SER 6 H SER 6 5.787 -0.591 1.647
42 HA SER 6 HA SER 6 7.903 -0.823 -0.148
43 HB2 SER 6 2HB SER 6 5.919 -0.529 -1.763
44 HB3 SER 6 1HB SER 6 5.624 1.029 -0.996
45 HG SER 6 HG SER 6 7.732 0.189 -2.634
46 H ASN 7 H ASN 7 8.556 1.783 -0.375
47 HA ASN 7 HA ASN 7 7.905 2.987 2.226
48 HB2 ASN 7 2HB ASN 7 10.661 2.952 0.959
49 HB3 ASN 7 1HB ASN 7 10.227 3.921 2.353
50 HD21 ASN 7 1HD2 ASN 7 8.562 1.627 3.415
51 HD22 ASN 7 2HD2 ASN 7 9.722 0.537 4.065
52 HA PRO 8 HA PRO 8 6.581 4.312 2.771
53 HB2 PRO 8 2HB PRO 8 4.352 5.726 2.300
54 HB3 PRO 8 1HB PRO 8 5.842 6.529 2.816
55 HG2 PRO 8 2HG PRO 8 4.679 6.280 0.068
56 HG3 PRO 8 1HG PRO 8 5.388 7.701 0.854
57 HD2 PRO 8 2HD PRO 8 6.744 6.119 -0.916
58 HD3 PRO 8 1HD PRO 8 7.533 7.048 0.371
59 HA PRO 9 HA PRO 9 4.045 1.003 1.203
60 HB2 PRO 9 2HB PRO 9 1.944 1.054 2.998
61 HB3 PRO 9 1HB PRO 9 3.502 0.283 3.316
62 HG2 PRO 9 2HG PRO 9 2.511 2.972 4.154
63 HG3 PRO 9 1HG PRO 9 3.467 1.797 5.073
64 HD2 PRO 9 2HD PRO 9 4.593 3.958 3.953
65 HD3 PRO 9 1HD PRO 9 5.445 2.400 4.024
66 H ILE 10 H ILE 10 2.548 0.866 -0.324
67 HA ILE 10 HA ILE 10 1.070 3.288 -0.981
68 HB ILE 10 HB ILE 10 1.114 0.663 -2.508
69 HG12 ILE 10 2HG1 ILE 10 3.420 1.536 -2.307
70 HG13 ILE 10 1HG1 ILE 10 2.835 1.633 -3.962
71 HG21 ILE 10 1HG2 ILE 10 -0.737 2.125 -3.072
72 HG22 ILE 10 2HG2 ILE 10 0.411 2.021 -4.407
73 HG23 ILE 10 3HG2 ILE 10 0.395 3.445 -3.371
74 HD11 ILE 10 1HD1 ILE 10 2.382 4.013 -3.641
75 HD12 ILE 10 2HD1 ILE 10 4.081 3.613 -3.371
76 HD13 ILE 10 3HD1 ILE 10 3.011 3.904 -1.997
77 H CYS 11 H CYS 11 -0.769 3.468 0.174
78 HA CYS 11 HA CYS 11 -2.293 1.038 0.621
79 HB2 CYS 11 2HB CYS 11 -2.456 3.719 2.009
80 HB3 CYS 11 1HB CYS 11 -3.445 2.307 2.375
81 H PHE 12 H PHE 12 -3.871 0.659 -0.632
82 HA PHE 12 HA PHE 12 -4.828 2.714 -2.439
83 HB2 PHE 12 2HB PHE 12 -5.925 -0.078 -2.299
84 HB3 PHE 12 1HB PHE 12 -5.723 0.956 -3.697
85 HD1 PHE 12 1HD PHE 12 -4.530 -1.829 -1.982
86 HD2 PHE 12 2HD PHE 12 -3.168 1.423 -4.371
87 HE1 PHE 12 1HE PHE 12 -2.503 -3.095 -2.547
88 HE2 PHE 12 2HE PHE 12 -1.146 0.147 -4.934
89 HZ PHE 12 HZ PHE 12 -0.813 -2.103 -4.026
90 HA PRO 13 HA PRO 13 -8.564 3.534 -0.117
91 HB2 PRO 13 2HB PRO 13 -10.475 3.751 -2.056
92 HB3 PRO 13 1HB PRO 13 -9.266 4.997 -1.739
93 HG2 PRO 13 2HG PRO 13 -9.293 2.876 -3.843
94 HG3 PRO 13 1HG PRO 13 -8.830 4.580 -3.986
95 HD2 PRO 13 2HD PRO 13 -7.004 2.608 -3.797
96 HD3 PRO 13 1HD PRO 13 -6.735 4.213 -3.094
97 H ASN 14 H ASN 14 -8.160 0.638 -1.655
98 HA ASN 14 HA ASN 14 -10.795 -0.486 -1.190
99 HB2 ASN 14 2HB ASN 14 -9.937 -2.518 -2.159
100 HB3 ASN 14 1HB ASN 14 -9.376 -1.183 -3.150
101 HD21 ASN 14 1HD2 ASN 14 -8.323 -3.828 -2.955
102 HD22 ASN 14 2HD2 ASN 14 -6.683 -3.702 -2.446
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -8.024 -0.103 0.372
2 HA2 GLY 1 2HA GLY 1 -8.593 -0.527 2.684
3 HA3 GLY 1 1HA GLY 1 -9.373 -2.008 2.163
4 H LYS 2 H LYS 2 -6.552 -1.889 0.450
5 HA LYS 2 HA LYS 2 -5.137 -3.313 2.582
6 HB2 LYS 2 2HB LYS 2 -4.936 -3.801 -0.396
7 HB3 LYS 2 1HB LYS 2 -4.009 -4.626 0.845
8 HG2 LYS 2 2HG LYS 2 -6.180 -5.471 1.773
9 HG3 LYS 2 1HG LYS 2 -6.974 -4.801 0.348
10 HD2 LYS 2 2HD LYS 2 -6.568 -7.147 -0.036
11 HD3 LYS 2 1HD LYS 2 -5.466 -6.226 -1.061
12 HE2 LYS 2 2HE LYS 2 -3.649 -6.589 0.521
13 HE3 LYS 2 1HE LYS 2 -4.738 -7.426 1.621
14 HZ1 LYS 2 1HZ LYS 2 -3.875 -8.337 -1.074
15 HZ2 LYS 2 2HZ LYS 2 -5.050 -9.101 -0.139
16 HZ3 LYS 2 3HZ LYS 2 -3.488 -9.018 0.423
17 H CYS 3 H CYS 3 -3.036 -2.850 2.952
18 HA CYS 3 HA CYS 3 -1.934 -0.620 1.424
19 HB2 CYS 3 2HB CYS 3 -1.155 -1.651 4.164
20 HB3 CYS 3 1HB CYS 3 -0.446 -0.254 3.358
21 H LEU 4 H LEU 4 -0.230 -0.892 0.246
22 HA LEU 4 HA LEU 4 0.939 -3.558 0.073
23 HB2 LEU 4 2HB LEU 4 0.061 -2.634 -1.975
24 HB3 LEU 4 1HB LEU 4 1.009 -1.172 -1.767
25 HG LEU 4 HG LEU 4 3.070 -2.572 -2.026
26 HD11 LEU 4 1HD1 LEU 4 2.863 -4.776 -3.048
27 HD12 LEU 4 2HD1 LEU 4 1.113 -4.706 -2.838
28 HD13 LEU 4 3HD1 LEU 4 2.171 -4.730 -1.428
29 HD21 LEU 4 1HD2 LEU 4 1.131 -2.590 -4.335
30 HD22 LEU 4 2HD2 LEU 4 2.882 -2.764 -4.455
31 HD23 LEU 4 3HD2 LEU 4 2.186 -1.254 -3.871
32 H PHE 5 H PHE 5 2.959 -3.899 0.656
33 HA PHE 5 HA PHE 5 4.417 -1.882 1.948
34 HB2 PHE 5 2HB PHE 5 6.250 -3.621 2.073
35 HB3 PHE 5 1HB PHE 5 4.719 -4.090 2.788
36 HD1 PHE 5 1HD PHE 5 7.221 -4.856 0.323
37 HD2 PHE 5 2HD PHE 5 3.236 -5.694 1.565
38 HE1 PHE 5 1HE PHE 5 7.232 -6.911 -1.007
39 HE2 PHE 5 2HE PHE 5 3.238 -7.736 0.226
40 HZ PHE 5 HZ PHE 5 5.236 -8.359 -1.061
41 H SER 6 H SER 6 5.803 -0.568 1.255
42 HA SER 6 HA SER 6 7.289 -0.774 -1.152
43 HB2 SER 6 2HB SER 6 4.948 -0.132 -1.947
44 HB3 SER 6 1HB SER 6 5.071 1.308 -0.943
45 HG SER 6 HG SER 6 6.331 0.643 -3.323
46 H ASN 7 H ASN 7 8.004 1.913 -1.289
47 HA ASN 7 HA ASN 7 8.282 2.719 1.461
48 HB2 ASN 7 2HB ASN 7 10.679 3.182 1.318
49 HB3 ASN 7 1HB ASN 7 10.365 1.494 0.988
50 HD21 ASN 7 1HD2 ASN 7 11.672 4.423 -0.165
51 HD22 ASN 7 2HD2 ASN 7 12.272 3.871 -1.669
52 HA PRO 8 HA PRO 8 7.413 4.044 2.551
53 HB2 PRO 8 2HB PRO 8 5.337 5.684 2.895
54 HB3 PRO 8 1HB PRO 8 6.998 6.284 3.009
55 HG2 PRO 8 2HG PRO 8 5.090 6.448 0.711
56 HG3 PRO 8 1HG PRO 8 6.106 7.723 1.413
57 HD2 PRO 8 2HD PRO 8 6.789 6.328 -0.814
58 HD3 PRO 8 1HD PRO 8 7.974 6.997 0.322
59 HA PRO 9 HA PRO 9 4.111 1.131 1.698
60 HB2 PRO 9 2HB PRO 9 2.315 1.701 3.754
61 HB3 PRO 9 1HB PRO 9 3.689 0.602 3.878
62 HG2 PRO 9 2HG PRO 9 3.466 3.457 4.724
63 HG3 PRO 9 1HG PRO 9 4.290 2.110 5.529
64 HD2 PRO 9 2HD PRO 9 5.673 3.938 4.180
65 HD3 PRO 9 1HD PRO 9 6.125 2.223 4.101
66 H ILE 10 H ILE 10 2.280 1.058 0.503
67 HA ILE 10 HA ILE 10 0.928 3.628 0.072
68 HB ILE 10 HB ILE 10 1.245 1.302 -1.848
69 HG12 ILE 10 2HG1 ILE 10 3.293 2.659 -1.589
70 HG13 ILE 10 1HG1 ILE 10 2.597 2.833 -3.197
71 HG21 ILE 10 1HG2 ILE 10 -0.929 2.384 -2.109
72 HG22 ILE 10 2HG2 ILE 10 0.108 2.705 -3.493
73 HG23 ILE 10 3HG2 ILE 10 -0.139 3.955 -2.270
74 HD11 ILE 10 1HD1 ILE 10 1.596 4.950 -2.502
75 HD12 ILE 10 2HD1 ILE 10 3.358 4.971 -2.389
76 HD13 ILE 10 3HD1 ILE 10 2.377 4.802 -0.927
77 H CYS 11 H CYS 11 -0.929 3.636 1.101
78 HA CYS 11 HA CYS 11 -2.430 1.164 1.282
79 HB2 CYS 11 2HB CYS 11 -2.840 3.853 2.595
80 HB3 CYS 11 1HB CYS 11 -3.948 2.493 2.773
81 H PHE 12 H PHE 12 -3.667 0.674 -0.288
82 HA PHE 12 HA PHE 12 -4.531 2.696 -2.148
83 HB2 PHE 12 2HB PHE 12 -4.858 -0.309 -2.108
84 HB3 PHE 12 1HB PHE 12 -5.500 0.718 -3.378
85 HD1 PHE 12 1HD PHE 12 -3.877 2.061 -4.783
86 HD2 PHE 12 2HD PHE 12 -2.623 -1.028 -2.129
87 HE1 PHE 12 1HE PHE 12 -1.772 1.871 -6.009
88 HE2 PHE 12 2HE PHE 12 -0.502 -1.207 -3.362
89 HZ PHE 12 HZ PHE 12 -0.075 0.240 -5.301
90 HA PRO 13 HA PRO 13 -8.575 3.326 -0.494
91 HB2 PRO 13 2HB PRO 13 -10.021 3.696 -2.779
92 HB3 PRO 13 1HB PRO 13 -8.916 4.909 -2.126
93 HG2 PRO 13 2HG PRO 13 -8.452 2.896 -4.293
94 HG3 PRO 13 1HG PRO 13 -8.043 4.621 -4.273
95 HD2 PRO 13 2HD PRO 13 -6.189 2.765 -3.786
96 HD3 PRO 13 1HD PRO 13 -6.211 4.295 -2.885
97 H ASN 14 H ASN 14 -7.759 0.507 -1.686
98 HA ASN 14 HA ASN 14 -10.446 -0.604 -1.885
99 HB2 ASN 14 2HB ASN 14 -9.361 -2.708 -2.598
100 HB3 ASN 14 1HB ASN 14 -8.990 -1.364 -3.665
101 HD21 ASN 14 1HD2 ASN 14 -7.177 -2.538 -4.431
102 HD22 ASN 14 2HD2 ASN 14 -5.743 -2.676 -3.484
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -7.947 -0.330 0.114
2 HA2 GLY 1 2HA GLY 1 -8.096 -1.151 2.322
3 HA3 GLY 1 1HA GLY 1 -8.834 -2.621 1.702
4 H LYS 2 H LYS 2 -6.073 -1.461 0.019
5 HA LYS 2 HA LYS 2 -4.483 -3.486 1.391
6 HB2 LYS 2 2HB LYS 2 -5.188 -4.174 -0.883
7 HB3 LYS 2 1HB LYS 2 -4.366 -2.767 -1.532
8 HG2 LYS 2 2HG LYS 2 -2.232 -3.605 -0.730
9 HG3 LYS 2 1HG LYS 2 -3.038 -5.003 -0.018
10 HD2 LYS 2 2HD LYS 2 -3.802 -5.684 -2.251
11 HD3 LYS 2 1HD LYS 2 -2.969 -4.291 -2.938
12 HE2 LYS 2 2HE LYS 2 -1.639 -6.309 -3.196
13 HE3 LYS 2 1HE LYS 2 -0.839 -5.156 -2.131
14 HZ1 LYS 2 1HZ LYS 2 -0.714 -7.397 -1.285
15 HZ2 LYS 2 2HZ LYS 2 -2.381 -7.547 -1.233
16 HZ3 LYS 2 3HZ LYS 2 -1.596 -6.444 -0.227
17 H CYS 3 H CYS 3 -2.712 -2.758 2.270
18 HA CYS 3 HA CYS 3 -1.657 -0.179 1.417
19 HB2 CYS 3 2HB CYS 3 -1.167 -1.779 3.940
20 HB3 CYS 3 1HB CYS 3 -0.414 -0.230 3.569
21 H LEU 4 H LEU 4 0.534 0.020 1.004
22 HA LEU 4 HA LEU 4 1.684 -2.336 -0.203
23 HB2 LEU 4 2HB LEU 4 2.617 0.515 -0.159
24 HB3 LEU 4 1HB LEU 4 3.444 -0.784 -0.992
25 HG LEU 4 HG LEU 4 0.660 0.098 -1.532
26 HD11 LEU 4 1HD1 LEU 4 2.293 1.845 -2.143
27 HD12 LEU 4 2HD1 LEU 4 1.636 1.110 -3.607
28 HD13 LEU 4 3HD1 LEU 4 3.238 0.651 -3.029
29 HD21 LEU 4 1HD2 LEU 4 2.474 -1.797 -3.013
30 HD22 LEU 4 2HD2 LEU 4 0.927 -1.220 -3.622
31 HD23 LEU 4 3HD2 LEU 4 0.981 -2.203 -2.163
32 H PHE 5 H PHE 5 3.529 -3.191 0.223
33 HA PHE 5 HA PHE 5 4.617 -2.730 2.908
34 HB2 PHE 5 2HB PHE 5 4.938 -5.096 1.048
35 HB3 PHE 5 1HB PHE 5 5.670 -4.957 2.643
36 HD1 PHE 5 1HD PHE 5 2.573 -5.513 0.804
37 HD2 PHE 5 2HD PHE 5 4.331 -5.135 4.638
38 HE1 PHE 5 1HE PHE 5 0.555 -6.463 1.813
39 HE2 PHE 5 2HE PHE 5 2.319 -6.089 5.672
40 HZ PHE 5 HZ PHE 5 0.413 -6.758 4.252
41 H SER 6 H SER 6 5.124 -2.030 -0.224
42 HA SER 6 HA SER 6 7.987 -1.873 -0.160
43 HB2 SER 6 2HB SER 6 6.709 -2.333 -2.268
44 HB3 SER 6 1HB SER 6 5.974 -0.738 -2.135
45 HG SER 6 HG SER 6 8.614 -1.471 -2.704
46 H ASN 7 H ASN 7 8.773 0.483 -0.850
47 HA ASN 7 HA ASN 7 7.546 2.271 1.104
48 HB2 ASN 7 2HB ASN 7 10.417 2.003 0.222
49 HB3 ASN 7 1HB ASN 7 9.836 3.485 0.956
50 HD21 ASN 7 1HD2 ASN 7 8.581 0.390 1.975
51 HD22 ASN 7 2HD2 ASN 7 9.381 0.351 3.495
52 HA PRO 8 HA PRO 8 7.079 4.132 1.595
53 HB2 PRO 8 2HB PRO 8 5.053 5.873 1.322
54 HB3 PRO 8 1HB PRO 8 6.737 6.377 1.176
55 HG2 PRO 8 2HG PRO 8 4.715 5.881 -0.953
56 HG3 PRO 8 1HG PRO 8 5.995 7.103 -0.874
57 HD2 PRO 8 2HD PRO 8 6.133 4.723 -2.312
58 HD3 PRO 8 1HD PRO 8 7.516 5.722 -1.828
59 HA PRO 9 HA PRO 9 3.564 1.347 1.744
60 HB2 PRO 9 2HB PRO 9 2.922 2.347 4.423
61 HB3 PRO 9 1HB PRO 9 3.494 0.746 3.948
62 HG2 PRO 9 2HG PRO 9 5.053 2.472 5.317
63 HG3 PRO 9 1HG PRO 9 5.714 1.342 4.121
64 HD2 PRO 9 2HD PRO 9 5.109 4.262 3.826
65 HD3 PRO 9 1HD PRO 9 6.520 3.330 3.275
66 H ILE 10 H ILE 10 2.326 2.459 0.239
67 HA ILE 10 HA ILE 10 0.526 4.541 1.134
68 HB ILE 10 HB ILE 10 0.795 3.217 -1.593
69 HG12 ILE 10 2HG1 ILE 10 1.805 5.905 -0.623
70 HG13 ILE 10 1HG1 ILE 10 2.802 4.483 -0.898
71 HG21 ILE 10 1HG2 ILE 10 -0.731 5.708 -0.814
72 HG22 ILE 10 2HG2 ILE 10 -1.440 4.161 -1.272
73 HG23 ILE 10 3HG2 ILE 10 -0.526 5.095 -2.455
74 HD11 ILE 10 1HD1 ILE 10 2.986 6.066 -2.729
75 HD12 ILE 10 2HD1 ILE 10 1.245 5.986 -2.993
76 HD13 ILE 10 3HD1 ILE 10 2.247 4.562 -3.277
77 H CYS 11 H CYS 11 -1.600 4.241 1.523
78 HA CYS 11 HA CYS 11 -2.641 1.513 1.278
79 HB2 CYS 11 2HB CYS 11 -3.451 3.745 3.148
80 HB3 CYS 11 1HB CYS 11 -4.280 2.198 3.025
81 H PHE 12 H PHE 12 -4.025 1.215 -0.267
82 HA PHE 12 HA PHE 12 -5.207 3.539 -1.548
83 HB2 PHE 12 2HB PHE 12 -5.125 0.629 -2.403
84 HB3 PHE 12 1HB PHE 12 -5.772 1.950 -3.364
85 HD1 PHE 12 1HD PHE 12 -4.265 3.614 -4.352
86 HD2 PHE 12 2HD PHE 12 -2.779 0.252 -2.213
87 HE1 PHE 12 1HE PHE 12 -2.044 3.976 -5.335
88 HE2 PHE 12 2HE PHE 12 -0.554 0.612 -3.191
89 HZ PHE 12 HZ PHE 12 -0.185 2.478 -4.757
90 HA PRO 13 HA PRO 13 -9.307 2.962 0.093
91 HB2 PRO 13 2HB PRO 13 -10.441 3.038 -2.634
92 HB3 PRO 13 1HB PRO 13 -10.735 4.117 -1.271
93 HG2 PRO 13 2HG PRO 13 -9.283 4.900 -3.367
94 HG3 PRO 13 1HG PRO 13 -8.873 5.409 -1.721
95 HD2 PRO 13 2HD PRO 13 -7.605 3.314 -3.432
96 HD3 PRO 13 1HD PRO 13 -6.848 4.491 -2.335
97 H ASN 14 H ASN 14 -8.024 0.709 -2.028
98 HA ASN 14 HA ASN 14 -10.306 -1.036 -2.185
99 HB2 ASN 14 2HB ASN 14 -8.857 -2.594 -3.358
100 HB3 ASN 14 1HB ASN 14 -8.569 -0.982 -3.990
101 HD21 ASN 14 1HD2 ASN 14 -6.876 -3.331 -4.092
102 HD22 ASN 14 2HD2 ASN 14 -5.395 -2.877 -3.339
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -7.881 -0.183 0.394
2 HA2 GLY 1 2HA GLY 1 -7.905 -0.940 2.775
3 HA3 GLY 1 1HA GLY 1 -8.568 -2.442 2.154
4 H LYS 2 H LYS 2 -6.772 -2.295 -0.207
5 HA LYS 2 HA LYS 2 -4.668 -3.853 0.864
6 HB2 LYS 2 2HB LYS 2 -4.987 -2.637 -1.868
7 HB3 LYS 2 1HB LYS 2 -3.682 -3.722 -1.417
8 HG2 LYS 2 2HG LYS 2 -5.331 -5.467 -0.929
9 HG3 LYS 2 1HG LYS 2 -6.621 -4.369 -1.412
10 HD2 LYS 2 2HD LYS 2 -6.101 -5.864 -3.246
11 HD3 LYS 2 1HD LYS 2 -5.625 -4.222 -3.665
12 HE2 LYS 2 2HE LYS 2 -3.909 -5.783 -4.366
13 HE3 LYS 2 1HE LYS 2 -3.282 -4.765 -3.086
14 HZ1 LYS 2 1HZ LYS 2 -3.697 -6.592 -1.507
15 HZ2 LYS 2 2HZ LYS 2 -2.648 -7.057 -2.723
16 HZ3 LYS 2 3HZ LYS 2 -4.246 -7.568 -2.763
17 H CYS 3 H CYS 3 -2.759 -3.327 1.615
18 HA CYS 3 HA CYS 3 -1.658 -0.719 0.899
19 HB2 CYS 3 2HB CYS 3 -1.557 -2.089 3.598
20 HB3 CYS 3 1HB CYS 3 -0.575 -0.698 3.162
21 H LEU 4 H LEU 4 0.279 -0.846 0.065
22 HA LEU 4 HA LEU 4 1.577 -3.457 0.012
23 HB2 LEU 4 2HB LEU 4 2.349 -0.909 -1.378
24 HB3 LEU 4 1HB LEU 4 3.118 -2.467 -1.591
25 HG LEU 4 HG LEU 4 0.323 -1.853 -2.108
26 HD11 LEU 4 1HD1 LEU 4 1.750 -0.629 -3.699
27 HD12 LEU 4 2HD1 LEU 4 1.004 -1.967 -4.582
28 HD13 LEU 4 3HD1 LEU 4 2.676 -2.092 -4.023
29 HD21 LEU 4 1HD2 LEU 4 0.327 -3.992 -3.437
30 HD22 LEU 4 2HD2 LEU 4 0.574 -4.188 -1.705
31 HD23 LEU 4 3HD2 LEU 4 1.948 -4.291 -2.807
32 H PHE 5 H PHE 5 3.365 -3.851 0.889
33 HA PHE 5 HA PHE 5 4.322 -1.944 2.858
34 HB2 PHE 5 2HB PHE 5 4.019 -4.310 3.589
35 HB3 PHE 5 1HB PHE 5 5.246 -4.809 2.437
36 HD1 PHE 5 1HD PHE 5 7.497 -4.863 3.074
37 HD2 PHE 5 2HD PHE 5 4.715 -2.669 5.416
38 HE1 PHE 5 1HE PHE 5 9.229 -4.498 4.774
39 HE2 PHE 5 2HE PHE 5 6.454 -2.295 7.125
40 HZ PHE 5 HZ PHE 5 8.707 -3.205 6.800
41 H SER 6 H SER 6 4.772 -0.730 0.934
42 HA SER 6 HA SER 6 7.473 -1.207 -0.070
43 HB2 SER 6 2HB SER 6 5.282 0.614 -1.091
44 HB3 SER 6 1HB SER 6 6.832 0.306 -1.881
45 HG SER 6 HG SER 6 6.131 -1.973 -1.648
46 H ASN 7 H ASN 7 8.480 1.166 -0.574
47 HA ASN 7 HA ASN 7 8.096 2.785 1.850
48 HB2 ASN 7 2HB ASN 7 10.708 2.247 0.411
49 HB3 ASN 7 1HB ASN 7 10.508 3.303 1.794
50 HD21 ASN 7 1HD2 ASN 7 8.701 1.344 3.188
51 HD22 ASN 7 2HD2 ASN 7 9.771 0.109 3.713
52 HA PRO 8 HA PRO 8 7.136 4.487 2.259
53 HB2 PRO 8 2HB PRO 8 5.094 6.142 0.992
54 HB3 PRO 8 1HB PRO 8 6.208 6.572 2.290
55 HG2 PRO 8 2HG PRO 8 6.397 7.642 -0.181
56 HG3 PRO 8 1HG PRO 8 7.815 7.342 0.839
57 HD2 PRO 8 2HD PRO 8 6.724 5.687 -1.408
58 HD3 PRO 8 1HD PRO 8 8.403 6.167 -1.088
59 HA PRO 9 HA PRO 9 3.934 1.459 1.527
60 HB2 PRO 9 2HB PRO 9 2.205 2.904 3.448
61 HB3 PRO 9 1HB PRO 9 2.770 1.231 3.487
62 HG2 PRO 9 2HG PRO 9 3.777 3.052 5.151
63 HG3 PRO 9 1HG PRO 9 4.799 1.797 4.427
64 HD2 PRO 9 2HD PRO 9 4.538 4.681 3.690
65 HD3 PRO 9 1HD PRO 9 5.986 3.658 3.762
66 H ILE 10 H ILE 10 2.088 1.209 0.358
67 HA ILE 10 HA ILE 10 0.746 3.675 -0.530
68 HB ILE 10 HB ILE 10 1.051 1.115 -2.147
69 HG12 ILE 10 2HG1 ILE 10 2.497 3.759 -2.509
70 HG13 ILE 10 1HG1 ILE 10 3.229 2.296 -1.864
71 HG21 ILE 10 1HG2 ILE 10 0.188 2.480 -4.004
72 HG22 ILE 10 2HG2 ILE 10 0.004 3.849 -2.908
73 HG23 ILE 10 3HG2 ILE 10 -0.962 2.393 -2.668
74 HD11 ILE 10 1HD1 ILE 10 3.820 2.658 -4.196
75 HD12 ILE 10 2HD1 ILE 10 2.113 2.626 -4.643
76 HD13 ILE 10 3HD1 ILE 10 2.885 1.176 -4.001
77 H CYS 11 H CYS 11 -1.123 3.685 0.578
78 HA CYS 11 HA CYS 11 -2.538 1.167 0.791
79 HB2 CYS 11 2HB CYS 11 -2.767 3.709 2.383
80 HB3 CYS 11 1HB CYS 11 -4.004 2.458 2.431
81 H PHE 12 H PHE 12 -4.005 0.764 -0.508
82 HA PHE 12 HA PHE 12 -5.110 2.808 -2.202
83 HB2 PHE 12 2HB PHE 12 -5.528 -0.197 -2.112
84 HB3 PHE 12 1HB PHE 12 -6.176 0.874 -3.343
85 HD1 PHE 12 1HD PHE 12 -3.215 -0.885 -2.131
86 HD2 PHE 12 2HD PHE 12 -4.687 1.889 -5.002
87 HE1 PHE 12 1HE PHE 12 -1.188 -1.205 -3.477
88 HE2 PHE 12 2HE PHE 12 -2.658 1.583 -6.341
89 HZ PHE 12 HZ PHE 12 -0.903 0.028 -5.583
90 HA PRO 13 HA PRO 13 -8.670 3.553 0.366
91 HB2 PRO 13 2HB PRO 13 -10.207 3.498 -2.175
92 HB3 PRO 13 1HB PRO 13 -10.147 4.743 -0.925
93 HG2 PRO 13 2HG PRO 13 -8.855 5.101 -3.202
94 HG3 PRO 13 1HG PRO 13 -8.105 5.574 -1.663
95 HD2 PRO 13 2HD PRO 13 -7.577 3.193 -3.386
96 HD3 PRO 13 1HD PRO 13 -6.447 4.218 -2.482
97 H ASN 14 H ASN 14 -8.636 0.877 -1.769
98 HA ASN 14 HA ASN 14 -11.100 -0.259 -0.813
99 HB2 ASN 14 2HB ASN 14 -10.481 -2.289 -2.085
100 HB3 ASN 14 1HB ASN 14 -10.401 -0.828 -3.061
101 HD21 ASN 14 1HD2 ASN 14 -8.508 -0.231 -3.934
102 HD22 ASN 14 2HD2 ASN 14 -7.060 -1.167 -3.830
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -8.150 -0.046 0.535
2 HA2 GLY 1 2HA GLY 1 -7.729 -0.863 2.701
3 HA3 GLY 1 1HA GLY 1 -8.825 -2.196 2.389
4 H LYS 2 H LYS 2 -5.949 -0.976 0.701
5 HA LYS 2 HA LYS 2 -4.615 -3.519 1.247
6 HB2 LYS 2 2HB LYS 2 -4.945 -2.365 -1.537
7 HB3 LYS 2 1HB LYS 2 -3.847 -3.666 -1.115
8 HG2 LYS 2 2HG LYS 2 -5.729 -5.084 -0.509
9 HG3 LYS 2 1HG LYS 2 -6.848 -3.768 -0.856
10 HD2 LYS 2 2HD LYS 2 -6.779 -5.340 -2.716
11 HD3 LYS 2 1HD LYS 2 -6.119 -3.777 -3.197
12 HE2 LYS 2 2HE LYS 2 -3.850 -4.645 -2.928
13 HE3 LYS 2 1HE LYS 2 -4.498 -6.193 -2.391
14 HZ1 LYS 2 1HZ LYS 2 -5.537 -6.434 -4.581
15 HZ2 LYS 2 2HZ LYS 2 -3.870 -6.291 -4.723
16 HZ3 LYS 2 3HZ LYS 2 -4.849 -4.987 -5.097
17 H CYS 3 H CYS 3 -2.762 -2.918 2.192
18 HA CYS 3 HA CYS 3 -1.411 -0.543 1.136
19 HB2 CYS 3 2HB CYS 3 -1.099 -1.900 3.826
20 HB3 CYS 3 1HB CYS 3 -0.096 -0.574 3.259
21 H LEU 4 H LEU 4 0.493 -0.728 0.218
22 HA LEU 4 HA LEU 4 1.529 -3.410 -0.208
23 HB2 LEU 4 2HB LEU 4 2.604 -0.794 -1.221
24 HB3 LEU 4 1HB LEU 4 3.129 -2.393 -1.710
25 HG LEU 4 HG LEU 4 0.473 -1.260 -2.011
26 HD11 LEU 4 1HD1 LEU 4 2.094 -0.112 -3.485
27 HD12 LEU 4 2HD1 LEU 4 1.075 -1.133 -4.499
28 HD13 LEU 4 3HD1 LEU 4 2.698 -1.664 -4.063
29 HD21 LEU 4 1HD2 LEU 4 1.604 -3.843 -3.067
30 HD22 LEU 4 2HD2 LEU 4 0.080 -3.164 -3.627
31 HD23 LEU 4 3HD2 LEU 4 0.265 -3.624 -1.937
32 H PHE 5 H PHE 5 3.365 -4.094 0.420
33 HA PHE 5 HA PHE 5 4.656 -2.772 2.640
34 HB2 PHE 5 2HB PHE 5 4.396 -5.274 2.600
35 HB3 PHE 5 1HB PHE 5 5.468 -5.334 1.213
36 HD1 PHE 5 1HD PHE 5 5.307 -4.429 4.805
37 HD2 PHE 5 2HD PHE 5 7.801 -5.442 1.509
38 HE1 PHE 5 1HE PHE 5 7.227 -4.649 6.325
39 HE2 PHE 5 2HE PHE 5 9.723 -5.663 3.027
40 HZ PHE 5 HZ PHE 5 9.432 -5.267 5.437
41 H SER 6 H SER 6 4.928 -0.979 1.195
42 HA SER 6 HA SER 6 7.510 -1.078 -0.187
43 HB2 SER 6 2HB SER 6 5.507 -0.932 -1.723
44 HB3 SER 6 1HB SER 6 5.091 0.584 -0.939
45 HG SER 6 HG SER 6 6.542 1.555 -2.107
46 H ASN 7 H ASN 7 8.448 1.144 -0.253
47 HA ASN 7 HA ASN 7 7.611 2.851 1.985
48 HB2 ASN 7 2HB ASN 7 10.454 2.185 1.122
49 HB3 ASN 7 1HB ASN 7 10.036 3.403 2.313
50 HD21 ASN 7 1HD2 ASN 7 7.974 1.814 3.628
51 HD22 ASN 7 2HD2 ASN 7 8.801 0.554 4.456
52 HA PRO 8 HA PRO 8 6.777 4.767 2.218
53 HB2 PRO 8 2HB PRO 8 4.753 6.213 1.133
54 HB3 PRO 8 1HB PRO 8 6.305 6.936 1.576
55 HG2 PRO 8 2HG PRO 8 5.356 6.006 -1.105
56 HG3 PRO 8 1HG PRO 8 6.161 7.528 -0.674
57 HD2 PRO 8 2HD PRO 8 7.516 5.478 -1.755
58 HD3 PRO 8 1HD PRO 8 8.242 6.536 -0.529
59 HA PRO 9 HA PRO 9 3.842 1.499 1.447
60 HB2 PRO 9 2HB PRO 9 2.157 2.328 3.662
61 HB3 PRO 9 1HB PRO 9 3.268 0.959 3.581
62 HG2 PRO 9 2HG PRO 9 3.707 3.135 5.165
63 HG3 PRO 9 1HG PRO 9 5.011 2.155 4.476
64 HD2 PRO 9 2HD PRO 9 3.908 4.773 3.530
65 HD3 PRO 9 1HD PRO 9 5.599 4.246 3.661
66 H ILE 10 H ILE 10 2.732 1.885 -0.360
67 HA ILE 10 HA ILE 10 0.739 3.905 -0.639
68 HB ILE 10 HB ILE 10 1.158 1.413 -2.322
69 HG12 ILE 10 2HG1 ILE 10 2.226 4.215 -2.756
70 HG13 ILE 10 1HG1 ILE 10 3.181 2.841 -2.212
71 HG21 ILE 10 1HG2 ILE 10 -1.041 2.411 -2.662
72 HG22 ILE 10 2HG2 ILE 10 -0.030 2.667 -4.085
73 HG23 ILE 10 3HG2 ILE 10 -0.300 3.986 -2.944
74 HD11 ILE 10 1HD1 ILE 10 1.796 3.084 -4.878
75 HD12 ILE 10 2HD1 ILE 10 2.776 1.717 -4.345
76 HD13 ILE 10 3HD1 ILE 10 3.520 3.294 -4.584
77 H CYS 11 H CYS 11 -1.175 3.808 0.289
78 HA CYS 11 HA CYS 11 -2.359 1.184 0.756
79 HB2 CYS 11 2HB CYS 11 -2.682 3.748 2.318
80 HB3 CYS 11 1HB CYS 11 -3.694 2.327 2.550
81 H PHE 12 H PHE 12 -3.767 0.742 -0.607
82 HA PHE 12 HA PHE 12 -5.022 2.670 -2.286
83 HB2 PHE 12 2HB PHE 12 -5.425 -0.310 -1.994
84 HB3 PHE 12 1HB PHE 12 -6.141 0.677 -3.252
85 HD1 PHE 12 1HD PHE 12 -2.980 -0.722 -1.961
86 HD2 PHE 12 2HD PHE 12 -4.884 1.315 -5.167
87 HE1 PHE 12 1HE PHE 12 -1.031 -1.149 -3.385
88 HE2 PHE 12 2HE PHE 12 -2.928 0.887 -6.591
89 HZ PHE 12 HZ PHE 12 -1.000 -0.340 -5.703
90 HA PRO 13 HA PRO 13 -8.568 3.404 0.299
91 HB2 PRO 13 2HB PRO 13 -10.242 3.786 -2.073
92 HB3 PRO 13 1HB PRO 13 -9.737 4.960 -0.860
93 HG2 PRO 13 2HG PRO 13 -8.762 5.004 -3.366
94 HG3 PRO 13 1HG PRO 13 -7.783 5.471 -1.966
95 HD2 PRO 13 2HD PRO 13 -7.790 2.902 -3.506
96 HD3 PRO 13 1HD PRO 13 -6.422 3.852 -2.881
97 H ASN 14 H ASN 14 -8.447 0.669 -1.563
98 HA ASN 14 HA ASN 14 -11.104 -0.180 -0.716
99 HB2 ASN 14 2HB ASN 14 -10.770 -2.195 -2.159
100 HB3 ASN 14 1HB ASN 14 -10.703 -0.690 -3.055
101 HD21 ASN 14 1HD2 ASN 14 -9.667 -3.322 -3.716
102 HD22 ASN 14 2HD2 ASN 14 -7.986 -3.106 -4.028
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -9.952 -2.280 0.960
2 HA2 GLY 1 2HA GLY 1 -8.444 -1.110 3.159
3 HA3 GLY 1 1HA GLY 1 -9.434 -2.559 3.253
4 H LYS 2 H LYS 2 -6.514 -1.475 1.563
5 HA LYS 2 HA LYS 2 -4.893 -3.505 2.750
6 HB2 LYS 2 2HB LYS 2 -6.105 -4.846 1.056
7 HB3 LYS 2 1HB LYS 2 -5.577 -3.715 -0.175
8 HG2 LYS 2 2HG LYS 2 -3.294 -4.378 0.092
9 HG3 LYS 2 1HG LYS 2 -3.703 -5.382 1.476
10 HD2 LYS 2 2HD LYS 2 -3.372 -6.794 -0.451
11 HD3 LYS 2 1HD LYS 2 -5.069 -6.822 -0.006
12 HE2 LYS 2 2HE LYS 2 -3.986 -5.044 -2.199
13 HE3 LYS 2 1HE LYS 2 -4.509 -6.692 -2.502
14 HZ1 LYS 2 1HZ LYS 2 -6.259 -5.154 -3.031
15 HZ2 LYS 2 2HZ LYS 2 -6.250 -4.447 -1.537
16 HZ3 LYS 2 3HZ LYS 2 -6.743 -6.048 -1.707
17 H CYS 3 H CYS 3 -2.763 -2.920 2.627
18 HA CYS 3 HA CYS 3 -2.125 -0.655 0.888
19 HB2 CYS 3 2HB CYS 3 -0.868 -1.416 3.539
20 HB3 CYS 3 1HB CYS 3 -0.397 -0.053 2.535
21 H LEU 4 H LEU 4 -0.112 -0.699 -0.123
22 HA LEU 4 HA LEU 4 0.979 -3.368 -0.587
23 HB2 LEU 4 2HB LEU 4 0.397 -1.899 -2.492
24 HB3 LEU 4 1HB LEU 4 1.546 -0.715 -1.909
25 HG LEU 4 HG LEU 4 3.363 -2.377 -2.264
26 HD11 LEU 4 1HD1 LEU 4 2.065 -4.412 -2.159
27 HD12 LEU 4 2HD1 LEU 4 2.915 -4.298 -3.702
28 HD13 LEU 4 3HD1 LEU 4 1.188 -3.953 -3.620
29 HD21 LEU 4 1HD2 LEU 4 3.411 -2.145 -4.704
30 HD22 LEU 4 2HD2 LEU 4 2.948 -0.650 -3.902
31 HD23 LEU 4 3HD2 LEU 4 1.718 -1.644 -4.686
32 H PHE 5 H PHE 5 2.977 -3.949 0.134
33 HA PHE 5 HA PHE 5 4.283 -2.286 2.032
34 HB2 PHE 5 2HB PHE 5 4.233 -4.785 2.205
35 HB3 PHE 5 1HB PHE 5 5.270 -4.868 0.784
36 HD1 PHE 5 1HD PHE 5 7.638 -4.422 0.946
37 HD2 PHE 5 2HD PHE 5 5.090 -3.903 4.318
38 HE1 PHE 5 1HE PHE 5 9.602 -4.238 2.403
39 HE2 PHE 5 2HE PHE 5 7.049 -3.715 5.771
40 HZ PHE 5 HZ PHE 5 9.311 -3.881 4.821
41 H SER 6 H SER 6 5.386 -0.613 1.431
42 HA SER 6 HA SER 6 7.501 -0.803 -0.489
43 HB2 SER 6 2HB SER 6 5.412 -0.186 -1.835
44 HB3 SER 6 1HB SER 6 5.277 1.254 -0.833
45 HG SER 6 HG SER 6 7.207 0.584 -2.760
46 H ASN 7 H ASN 7 8.458 1.625 -0.428
47 HA ASN 7 HA ASN 7 8.111 2.710 2.267
48 HB2 ASN 7 2HB ASN 7 10.776 2.047 0.986
49 HB3 ASN 7 1HB ASN 7 10.589 2.943 2.483
50 HD21 ASN 7 1HD2 ASN 7 10.552 -0.120 0.947
51 HD22 ASN 7 2HD2 ASN 7 10.485 -1.092 2.377
52 HA PRO 8 HA PRO 8 7.134 4.458 2.849
53 HB2 PRO 8 2HB PRO 8 5.295 6.260 1.423
54 HB3 PRO 8 1HB PRO 8 6.068 6.488 2.991
55 HG2 PRO 8 2HG PRO 8 6.787 7.940 0.862
56 HG3 PRO 8 1HG PRO 8 7.982 7.403 2.058
57 HD2 PRO 8 2HD PRO 8 7.331 6.213 -0.620
58 HD3 PRO 8 1HD PRO 8 8.920 6.580 0.088
59 HA PRO 9 HA PRO 9 4.274 1.439 1.267
60 HB2 PRO 9 2HB PRO 9 2.238 2.293 3.203
61 HB3 PRO 9 1HB PRO 9 3.094 0.753 3.085
62 HG2 PRO 9 2HG PRO 9 3.585 2.513 5.064
63 HG3 PRO 9 1HG PRO 9 4.856 1.484 4.386
64 HD2 PRO 9 2HD PRO 9 4.280 4.366 3.878
65 HD3 PRO 9 1HD PRO 9 5.839 3.532 4.062
66 H ILE 10 H ILE 10 2.210 1.174 0.192
67 HA ILE 10 HA ILE 10 0.996 3.752 -0.578
68 HB ILE 10 HB ILE 10 1.103 1.289 -2.379
69 HG12 ILE 10 2HG1 ILE 10 2.816 3.797 -2.516
70 HG13 ILE 10 1HG1 ILE 10 3.395 2.216 -2.017
71 HG21 ILE 10 1HG2 ILE 10 0.329 4.138 -2.942
72 HG22 ILE 10 2HG2 ILE 10 -0.767 2.764 -2.781
73 HG23 ILE 10 3HG2 ILE 10 0.387 2.819 -4.114
74 HD11 ILE 10 1HD1 ILE 10 4.038 2.681 -4.300
75 HD12 ILE 10 2HD1 ILE 10 2.356 2.962 -4.741
76 HD13 ILE 10 3HD1 ILE 10 2.880 1.350 -4.265
77 H CYS 11 H CYS 11 -0.877 3.789 0.539
78 HA CYS 11 HA CYS 11 -2.337 1.307 0.775
79 HB2 CYS 11 2HB CYS 11 -2.760 3.997 2.083
80 HB3 CYS 11 1HB CYS 11 -3.843 2.622 2.303
81 H PHE 12 H PHE 12 -3.846 0.759 -0.505
82 HA PHE 12 HA PHE 12 -4.566 2.473 -2.686
83 HB2 PHE 12 2HB PHE 12 -5.464 -0.338 -1.993
84 HB3 PHE 12 1HB PHE 12 -5.700 0.466 -3.534
85 HD1 PHE 12 1HD PHE 12 -3.276 1.446 -4.485
86 HD2 PHE 12 2HD PHE 12 -3.872 -1.948 -1.980
87 HE1 PHE 12 1HE PHE 12 -1.191 0.475 -5.312
88 HE2 PHE 12 2HE PHE 12 -1.771 -2.920 -2.805
89 HZ PHE 12 HZ PHE 12 -0.432 -1.709 -4.474
90 HA PRO 13 HA PRO 13 -8.609 3.799 -1.304
91 HB2 PRO 13 2HB PRO 13 -9.914 2.437 -3.601
92 HB3 PRO 13 1HB PRO 13 -9.989 4.135 -3.116
93 HG2 PRO 13 2HG PRO 13 -8.541 3.437 -5.214
94 HG3 PRO 13 1HG PRO 13 -7.912 4.627 -4.058
95 HD2 PRO 13 2HD PRO 13 -7.252 1.714 -4.318
96 HD3 PRO 13 1HD PRO 13 -6.158 3.093 -4.071
97 H ASN 14 H ASN 14 -8.071 0.409 -1.763
98 HA ASN 14 HA ASN 14 -10.537 -0.266 -0.422
99 HB2 ASN 14 2HB ASN 14 -9.948 -2.618 -0.980
100 HB3 ASN 14 1HB ASN 14 -10.113 -1.620 -2.410
101 HD21 ASN 14 1HD2 ASN 14 -8.317 -1.249 -3.695
102 HD22 ASN 14 2HD2 ASN 14 -6.840 -2.114 -3.487
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