Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
599104 | 2nay RC | 25954 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -8.597 -0.609 -5.051
2 H2 GLY 1 2HT GLY 1 -8.074 -0.521 -3.447
3 H3 GLY 1 3HT GLY 1 -7.853 -1.946 -4.332
4 HA2 GLY 1 1HA GLY 1 -6.324 -0.833 -5.821
5 HA3 GLY 1 2HA GLY 1 -6.565 0.658 -4.920
6 H CYS 2 H CYS 2 -5.282 1.054 -3.193
7 HA CYS 2 HA CYS 2 -3.566 -1.176 -2.309
8 HB2 CYS 2 2HB CYS 2 -2.915 1.765 -2.508
9 HB3 CYS 2 1HB CYS 2 -1.876 0.570 -1.735
10 H CYS 3 H CYS 3 -6.212 -0.019 -1.263
11 HA CYS 3 HA CYS 3 -5.569 1.146 1.257
12 HB2 CYS 3 2HB CYS 3 -7.818 1.044 -0.283
13 HB3 CYS 3 1HB CYS 3 -8.207 -0.127 0.967
14 H SER 4 H SER 4 -6.159 -2.140 0.125
15 HA SER 4 HA SER 4 -6.226 -3.155 2.838
16 HB2 SER 4 2HB SER 4 -7.616 -4.198 1.049
17 HB3 SER 4 1HB SER 4 -6.139 -4.716 0.243
18 HG SER 4 HG SER 4 -6.049 -5.471 2.812
19 H ASN 5 H ASN 5 -4.352 -4.812 0.358
20 HA ASN 5 HA ASN 5 -1.862 -3.751 1.174
21 HB2 ASN 5 2HB ASN 5 -1.927 -5.013 3.141
22 HB3 ASN 5 1HB ASN 5 -2.652 -6.405 2.337
23 HD21 ASN 5 2HD2 ASN 5 1.392 -5.801 2.174
24 HD22 ASN 5 1HD2 ASN 5 0.319 -4.538 2.660
25 HA PRO 6 HA PRO 6 -0.652 -5.840 -2.519
26 HB2 PRO 6 2HB PRO 6 -0.470 -3.686 -4.142
27 HB3 PRO 6 1HB PRO 6 -1.975 -4.586 -3.960
28 HG2 PRO 6 2HG PRO 6 -1.309 -1.904 -3.030
29 HG3 PRO 6 1HG PRO 6 -2.890 -2.686 -3.171
30 HD2 PRO 6 2HD PRO 6 -1.188 -2.383 -0.812
31 HD3 PRO 6 1HD PRO 6 -2.885 -2.888 -0.909
32 H ALA 7 H ALA 7 1.294 -4.170 -3.922
33 HA ALA 7 HA ALA 7 3.400 -4.292 -2.004
34 HB1 ALA 7 1HB ALA 7 3.766 -4.821 -4.346
35 HB2 ALA 7 2HB ALA 7 4.839 -3.533 -3.800
36 HB3 ALA 7 3HB ALA 7 3.427 -3.147 -4.785
37 H CYS 8 H CYS 8 1.162 -1.832 -2.831
38 HA CYS 8 HA CYS 8 2.593 0.522 -2.466
39 HB2 CYS 8 2HB CYS 8 -0.239 -0.256 -1.802
40 HB3 CYS 8 1HB CYS 8 0.360 1.367 -1.512
41 H ILE 9 H ILE 9 1.145 -1.577 0.019
42 HA ILE 9 HA ILE 9 1.425 0.164 2.195
43 HB ILE 9 HB ILE 9 1.791 -2.774 2.609
44 HG12 ILE 9 2HG1 ILE 9 0.122 -2.671 0.864
45 HG13 ILE 9 1HG1 ILE 9 -0.631 -3.112 2.393
46 HG21 ILE 9 1HG2 ILE 9 0.170 -0.671 4.029
47 HG22 ILE 9 2HG2 ILE 9 1.731 -1.312 4.541
48 HG23 ILE 9 3HG2 ILE 9 0.314 -2.361 4.514
49 HD11 ILE 9 3HD1 ILE 9 -0.681 -0.388 1.124
50 HD12 ILE 9 1HD1 ILE 9 -1.432 -0.829 2.656
51 HD13 ILE 9 2HD1 ILE 9 -2.007 -1.552 1.154
52 H LEU 10 H LEU 10 3.660 -2.168 0.820
53 HA LEU 10 HA LEU 10 5.566 -2.336 2.818
54 HB2 LEU 10 2HB LEU 10 5.514 -3.728 0.786
55 HB3 LEU 10 1HB LEU 10 6.039 -2.353 -0.163
56 HG LEU 10 HG LEU 10 8.172 -2.321 1.084
57 HD11 LEU 10 1HD1 LEU 10 8.753 -4.235 2.504
58 HD12 LEU 10 2HD1 LEU 10 7.097 -4.826 2.371
59 HD13 LEU 10 3HD1 LEU 10 7.424 -3.293 3.176
60 HD21 LEU 10 3HD2 LEU 10 7.509 -4.999 -0.132
61 HD22 LEU 10 1HD2 LEU 10 9.121 -4.311 0.066
62 HD23 LEU 10 2HD2 LEU 10 7.965 -3.552 -1.029
63 H ASN 11 H ASN 11 5.280 0.102 0.268
64 HA ASN 11 HA ASN 11 7.519 1.595 1.428
65 HB2 ASN 11 2HB ASN 11 5.870 2.025 -1.075
66 HB3 ASN 11 1HB ASN 11 7.126 3.135 -0.530
67 HD21 ASN 11 2HD2 ASN 11 8.345 0.567 -3.029
68 HD22 ASN 11 1HD2 ASN 11 6.905 1.526 -2.971
69 H ASN 12 H ASN 12 4.143 1.469 1.282
70 HA ASN 12 HA ASN 12 2.405 2.698 1.985
71 HB2 ASN 12 2HB ASN 12 3.734 2.257 4.137
72 HB3 ASN 12 1HB ASN 12 4.218 3.946 4.033
73 HD21 ASN 12 2HD2 ASN 12 1.043 3.340 6.043
74 HD22 ASN 12 1HD2 ASN 12 2.509 2.430 5.957
75 HA PRO 13 HA PRO 13 3.579 6.738 0.045
76 HB2 PRO 13 2HB PRO 13 2.747 5.855 -2.548
77 HB3 PRO 13 1HB PRO 13 4.376 6.294 -2.037
78 HG2 PRO 13 2HG PRO 13 3.600 3.734 -2.762
79 HG3 PRO 13 1HG PRO 13 4.997 4.118 -1.735
80 HD2 PRO 13 2HD PRO 13 2.238 3.265 -0.950
81 HD3 PRO 13 1HD PRO 13 3.808 2.749 -0.293
82 H ASN 14 H ASN 14 1.169 4.755 -1.622
83 HA ASN 14 HA ASN 14 -0.864 6.777 -1.259
84 HB2 ASN 14 2HB ASN 14 -0.648 5.639 -3.412
85 HB3 ASN 14 1HB ASN 14 -0.918 4.084 -2.632
86 HD21 ASN 14 2HD2 ASN 14 -4.209 4.402 -3.626
87 HD22 ASN 14 1HD2 ASN 14 -2.691 3.582 -3.810
88 H GLN 15 H GLN 15 -0.848 3.240 -0.713
89 HA GLN 15 HA GLN 15 -1.871 1.925 0.786
90 HB2 GLN 15 2HB GLN 15 -0.433 3.690 2.227
91 HB3 GLN 15 1HB GLN 15 -2.037 4.029 2.870
92 HG2 GLN 15 2HG GLN 15 -0.769 1.301 2.761
93 HG3 GLN 15 1HG GLN 15 -0.742 2.361 4.165
94 HE21 GLN 15 2HE2 GLN 15 -4.118 0.335 3.136
95 HE22 GLN 15 1HE2 GLN 15 -2.817 0.554 2.005
96 H CYS 16 H CYS 16 -3.508 3.503 -1.007
97 HA CYS 16 HA CYS 16 -5.855 2.273 -0.357
98 HB2 CYS 16 2HB CYS 16 -5.892 4.089 1.464
99 HB3 CYS 16 1HB CYS 16 -6.280 5.210 0.162
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -6.155 1.405 -7.081
2 H2 GLY 1 2HT GLY 1 -4.585 0.817 -6.875
3 H3 GLY 1 3HT GLY 1 -5.216 1.942 -5.784
4 HA2 GLY 1 1HA GLY 1 -6.839 0.364 -5.005
5 HA3 GLY 1 2HA GLY 1 -6.260 -0.804 -6.182
6 H CYS 2 H CYS 2 -5.144 1.183 -3.451
7 HA CYS 2 HA CYS 2 -3.417 -1.069 -2.677
8 HB2 CYS 2 2HB CYS 2 -2.730 1.866 -2.690
9 HB3 CYS 2 1HB CYS 2 -1.801 0.665 -1.798
10 H CYS 3 H CYS 3 -6.097 -0.286 -1.808
11 HA CYS 3 HA CYS 3 -5.650 0.614 0.933
12 HB2 CYS 3 2HB CYS 3 -8.262 -0.051 -0.436
13 HB3 CYS 3 1HB CYS 3 -8.057 0.808 1.085
14 H SER 4 H SER 4 -6.076 -2.266 -0.866
15 HA SER 4 HA SER 4 -6.811 -3.756 1.559
16 HB2 SER 4 2HB SER 4 -7.091 -4.592 -1.336
17 HB3 SER 4 1HB SER 4 -7.649 -5.503 0.068
18 HG SER 4 HG SER 4 -9.257 -4.111 0.369
19 H ASN 5 H ASN 5 -4.104 -2.860 0.717
20 HA ASN 5 HA ASN 5 -1.973 -3.593 0.827
21 HB2 ASN 5 2HB ASN 5 -2.517 -4.705 2.846
22 HB3 ASN 5 1HB ASN 5 -3.359 -5.998 1.999
23 HD21 ASN 5 2HD2 ASN 5 0.683 -6.103 2.460
24 HD22 ASN 5 1HD2 ASN 5 -0.229 -4.683 2.830
25 HA PRO 6 HA PRO 6 -1.371 -6.106 -2.838
26 HB2 PRO 6 2HB PRO 6 -0.503 -4.117 -4.487
27 HB3 PRO 6 1HB PRO 6 -2.187 -4.626 -4.378
28 HG2 PRO 6 2HG PRO 6 -0.974 -2.140 -3.490
29 HG3 PRO 6 1HG PRO 6 -2.685 -2.558 -3.639
30 HD2 PRO 6 2HD PRO 6 -0.996 -2.528 -1.256
31 HD3 PRO 6 1HD PRO 6 -2.762 -2.656 -1.378
32 H ALA 7 H ALA 7 0.746 -3.364 -3.281
33 HA ALA 7 HA ALA 7 2.819 -4.555 -1.583
34 HB1 ALA 7 1HB ALA 7 3.245 -5.316 -3.873
35 HB2 ALA 7 2HB ALA 7 4.513 -4.238 -3.293
36 HB3 ALA 7 3HB ALA 7 3.291 -3.639 -4.416
37 H CYS 8 H CYS 8 1.056 -1.907 -2.567
38 HA CYS 8 HA CYS 8 2.746 0.261 -2.350
39 HB2 CYS 8 2HB CYS 8 -0.142 -0.171 -1.751
40 HB3 CYS 8 1HB CYS 8 0.604 1.359 -1.317
41 H ILE 9 H ILE 9 1.251 -1.631 0.191
42 HA ILE 9 HA ILE 9 1.554 0.155 2.320
43 HB ILE 9 HB ILE 9 1.830 -2.770 2.836
44 HG12 ILE 9 2HG1 ILE 9 0.256 -2.725 0.997
45 HG13 ILE 9 1HG1 ILE 9 -0.603 -3.074 2.495
46 HG21 ILE 9 1HG2 ILE 9 0.265 -2.259 4.646
47 HG22 ILE 9 2HG2 ILE 9 0.159 -0.592 4.080
48 HG23 ILE 9 3HG2 ILE 9 1.687 -1.217 4.702
49 HD11 ILE 9 3HD1 ILE 9 -1.370 -0.761 2.595
50 HD12 ILE 9 1HD1 ILE 9 -1.858 -1.542 1.090
51 HD13 ILE 9 2HD1 ILE 9 -0.506 -0.410 1.098
52 H LEU 10 H LEU 10 3.778 -2.068 0.844
53 HA LEU 10 HA LEU 10 5.782 -2.152 2.791
54 HB2 LEU 10 2HB LEU 10 5.648 -3.559 0.740
55 HB3 LEU 10 1HB LEU 10 6.132 -2.174 -0.212
56 HG LEU 10 HG LEU 10 7.898 -3.229 1.984
57 HD11 LEU 10 1HD1 LEU 10 7.384 -5.116 0.540
58 HD12 LEU 10 2HD1 LEU 10 9.048 -4.583 0.307
59 HD13 LEU 10 3HD1 LEU 10 7.813 -4.160 -0.879
60 HD21 LEU 10 3HD2 LEU 10 9.670 -2.254 0.605
61 HD22 LEU 10 1HD2 LEU 10 8.466 -1.045 1.054
62 HD23 LEU 10 2HD2 LEU 10 8.465 -1.729 -0.571
63 H ASN 11 H ASN 11 5.194 0.228 0.220
64 HA ASN 11 HA ASN 11 7.513 1.775 1.142
65 HB2 ASN 11 2HB ASN 11 5.813 2.095 -1.339
66 HB3 ASN 11 1HB ASN 11 7.211 3.084 -0.938
67 HD21 ASN 11 2HD2 ASN 11 7.653 -0.610 -2.531
68 HD22 ASN 11 1HD2 ASN 11 6.106 0.011 -2.069
69 H ASN 12 H ASN 12 4.156 1.679 1.268
70 HA ASN 12 HA ASN 12 2.536 2.933 2.189
71 HB2 ASN 12 2HB ASN 12 4.826 4.383 3.530
72 HB3 ASN 12 1HB ASN 12 3.134 4.497 3.997
73 HD21 ASN 12 2HD2 ASN 12 3.081 1.469 5.738
74 HD22 ASN 12 1HD2 ASN 12 2.154 2.748 5.033
75 HA PRO 13 HA PRO 13 3.153 6.710 -0.501
76 HB2 PRO 13 2HB PRO 13 2.265 5.565 -2.926
77 HB3 PRO 13 1HB PRO 13 3.907 6.070 -2.535
78 HG2 PRO 13 2HG PRO 13 3.036 3.436 -2.963
79 HG3 PRO 13 1HG PRO 13 4.587 3.932 -2.265
80 HD2 PRO 13 2HD PRO 13 2.116 2.981 -0.908
81 HD3 PRO 13 1HD PRO 13 3.816 2.781 -0.442
82 H ASN 14 H ASN 14 0.793 4.189 -1.362
83 HA ASN 14 HA ASN 14 -1.366 6.089 -0.741
84 HB2 ASN 14 2HB ASN 14 -1.168 5.409 -3.172
85 HB3 ASN 14 1HB ASN 14 -1.544 3.766 -2.673
86 HD21 ASN 14 2HD2 ASN 14 -4.969 4.341 -2.240
87 HD22 ASN 14 1HD2 ASN 14 -3.630 3.289 -1.937
88 H GLN 15 H GLN 15 -0.728 5.069 1.440
89 HA GLN 15 HA GLN 15 -1.999 2.521 1.872
90 HB2 GLN 15 2HB GLN 15 0.183 3.753 3.033
91 HB3 GLN 15 1HB GLN 15 -1.079 3.972 4.242
92 HG2 GLN 15 2HG GLN 15 -0.171 1.372 3.038
93 HG3 GLN 15 1HG GLN 15 0.143 1.946 4.675
94 HE21 GLN 15 2HE2 GLN 15 -3.516 0.483 3.631
95 HE22 GLN 15 1HE2 GLN 15 -2.402 1.084 2.441
96 H CYS 16 H CYS 16 -4.150 2.785 1.705
97 HA CYS 16 HA CYS 16 -5.587 5.033 2.669
98 HB2 CYS 16 2HB CYS 16 -6.772 2.310 2.168
99 HB3 CYS 16 1HB CYS 16 -7.523 3.887 1.945
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -6.631 1.046 -7.062
2 H2 GLY 1 2HT GLY 1 -4.989 1.356 -6.800
3 H3 GLY 1 3HT GLY 1 -6.158 2.239 -5.958
4 HA2 GLY 1 1HA GLY 1 -6.890 0.215 -4.836
5 HA3 GLY 1 2HA GLY 1 -5.619 -0.666 -5.679
6 H CYS 2 H CYS 2 -4.396 -1.258 -3.996
7 HA CYS 2 HA CYS 2 -2.782 -1.132 -2.425
8 HB2 CYS 2 2HB CYS 2 -2.577 1.695 -3.434
9 HB3 CYS 2 1HB CYS 2 -1.408 0.939 -2.357
10 H CYS 3 H CYS 3 -5.563 -0.531 -1.759
11 HA CYS 3 HA CYS 3 -5.301 1.328 0.468
12 HB2 CYS 3 2HB CYS 3 -7.702 -0.168 -0.605
13 HB3 CYS 3 1HB CYS 3 -7.744 0.972 0.734
14 H SER 4 H SER 4 -5.817 -2.114 -0.154
15 HA SER 4 HA SER 4 -5.868 -2.614 2.718
16 HB2 SER 4 2HB SER 4 -7.533 -3.764 1.272
17 HB3 SER 4 1HB SER 4 -6.212 -4.590 0.450
18 HG SER 4 HG SER 4 -7.040 -4.839 3.147
19 H ASN 5 H ASN 5 -4.338 -4.604 0.179
20 HA ASN 5 HA ASN 5 -1.689 -3.937 0.898
21 HB2 ASN 5 2HB ASN 5 -2.115 -5.106 2.962
22 HB3 ASN 5 1HB ASN 5 -2.769 -6.493 2.097
23 HD21 ASN 5 2HD2 ASN 5 1.254 -5.964 2.445
24 HD22 ASN 5 1HD2 ASN 5 0.143 -4.696 2.836
25 HA PRO 6 HA PRO 6 -1.483 -6.379 -2.892
26 HB2 PRO 6 2HB PRO 6 -0.814 -4.253 -4.524
27 HB3 PRO 6 1HB PRO 6 -2.449 -4.862 -4.292
28 HG2 PRO 6 2HG PRO 6 -1.350 -2.346 -3.456
29 HG3 PRO 6 1HG PRO 6 -3.008 -2.934 -3.280
30 HD2 PRO 6 2HD PRO 6 -0.816 -2.884 -1.305
31 HD3 PRO 6 1HD PRO 6 -2.570 -2.982 -1.041
32 H ALA 7 H ALA 7 0.581 -3.544 -3.270
33 HA ALA 7 HA ALA 7 2.817 -4.850 -1.932
34 HB1 ALA 7 1HB ALA 7 2.972 -5.599 -4.264
35 HB2 ALA 7 2HB ALA 7 4.332 -4.578 -3.800
36 HB3 ALA 7 3HB ALA 7 3.031 -3.917 -4.790
37 H CYS 8 H CYS 8 1.106 -2.087 -2.882
38 HA CYS 8 HA CYS 8 2.998 -0.062 -2.755
39 HB2 CYS 8 2HB CYS 8 0.071 -0.167 -2.136
40 HB3 CYS 8 1HB CYS 8 0.979 1.325 -1.970
41 H ILE 9 H ILE 9 1.166 -1.581 -0.153
42 HA ILE 9 HA ILE 9 1.557 0.255 1.893
43 HB ILE 9 HB ILE 9 1.654 -2.674 2.516
44 HG12 ILE 9 2HG1 ILE 9 0.042 -2.484 0.707
45 HG13 ILE 9 1HG1 ILE 9 -0.779 -2.819 2.230
46 HG21 ILE 9 1HG2 ILE 9 1.701 -1.079 4.354
47 HG22 ILE 9 2HG2 ILE 9 0.203 -2.011 4.368
48 HG23 ILE 9 3HG2 ILE 9 0.203 -0.350 3.773
49 HD11 ILE 9 3HD1 ILE 9 -0.576 -0.130 0.892
50 HD12 ILE 9 1HD1 ILE 9 -1.409 -0.470 2.410
51 HD13 ILE 9 2HD1 ILE 9 -1.994 -1.181 0.906
52 H LEU 10 H LEU 10 3.671 -2.223 0.669
53 HA LEU 10 HA LEU 10 5.604 -2.341 2.660
54 HB2 LEU 10 2HB LEU 10 5.562 -3.818 0.715
55 HB3 LEU 10 1HB LEU 10 5.982 -2.477 -0.331
56 HG LEU 10 HG LEU 10 8.170 -2.294 0.790
57 HD11 LEU 10 1HD1 LEU 10 7.570 -3.155 2.979
58 HD12 LEU 10 2HD1 LEU 10 8.904 -4.085 2.296
59 HD13 LEU 10 3HD1 LEU 10 7.271 -4.751 2.289
60 HD21 LEU 10 3HD2 LEU 10 9.128 -4.359 -0.122
61 HD22 LEU 10 1HD2 LEU 10 7.963 -3.632 -1.226
62 HD23 LEU 10 2HD2 LEU 10 7.509 -5.040 -0.266
63 H ASN 11 H ASN 11 5.093 0.127 0.208
64 HA ASN 11 HA ASN 11 7.481 1.556 1.177
65 HB2 ASN 11 2HB ASN 11 5.943 1.953 -1.401
66 HB3 ASN 11 1HB ASN 11 7.377 2.851 -0.917
67 HD21 ASN 11 2HD2 ASN 11 7.669 -0.840 -2.540
68 HD22 ASN 11 1HD2 ASN 11 6.144 -0.125 -2.157
69 H ASN 12 H ASN 12 4.122 1.536 1.192
70 HA ASN 12 HA ASN 12 2.492 2.885 1.984
71 HB2 ASN 12 2HB ASN 12 4.801 4.157 3.464
72 HB3 ASN 12 1HB ASN 12 3.105 4.491 3.789
73 HD21 ASN 12 2HD2 ASN 12 2.528 1.530 5.559
74 HD22 ASN 12 1HD2 ASN 12 1.819 2.871 4.728
75 HA PRO 13 HA PRO 13 3.521 6.405 -0.906
76 HB2 PRO 13 2HB PRO 13 1.700 5.287 -2.848
77 HB3 PRO 13 1HB PRO 13 3.434 5.564 -3.010
78 HG2 PRO 13 2HG PRO 13 2.293 3.080 -2.918
79 HG3 PRO 13 1HG PRO 13 3.959 3.424 -2.418
80 HD2 PRO 13 2HD PRO 13 1.505 3.093 -0.731
81 HD3 PRO 13 1HD PRO 13 3.152 2.486 -0.454
82 H ASN 14 H ASN 14 0.365 4.829 -1.321
83 HA ASN 14 HA ASN 14 -0.933 7.288 -0.430
84 HB2 ASN 14 2HB ASN 14 -3.011 6.305 -1.364
85 HB3 ASN 14 1HB ASN 14 -1.737 6.454 -2.563
86 HD21 ASN 14 2HD2 ASN 14 -3.533 3.109 -2.608
87 HD22 ASN 14 1HD2 ASN 14 -4.132 4.717 -2.396
88 H GLN 15 H GLN 15 -1.473 3.787 -0.023
89 HA GLN 15 HA GLN 15 -2.388 2.567 1.637
90 HB2 GLN 15 2HB GLN 15 -0.165 3.700 2.657
91 HB3 GLN 15 1HB GLN 15 -1.362 4.347 3.774
92 HG2 GLN 15 2HG GLN 15 -0.712 1.467 3.220
93 HG3 GLN 15 1HG GLN 15 -0.508 2.357 4.727
94 HE21 GLN 15 2HE2 GLN 15 -4.091 0.739 3.700
95 HE22 GLN 15 1HE2 GLN 15 -2.780 0.837 2.577
96 H CYS 16 H CYS 16 -4.505 3.071 1.145
97 HA CYS 16 HA CYS 16 -5.910 5.349 1.957
98 HB2 CYS 16 2HB CYS 16 -7.085 2.605 1.517
99 HB3 CYS 16 1HB CYS 16 -7.878 4.156 1.286
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -5.029 0.684 -6.488
2 H2 GLY 1 2HT GLY 1 -6.063 1.474 -5.408
3 H3 GLY 1 3HT GLY 1 -6.684 0.783 -6.818
4 HA2 GLY 1 1HA GLY 1 -7.196 -0.609 -4.926
5 HA3 GLY 1 2HA GLY 1 -6.112 -1.424 -6.043
6 H CYS 2 H CYS 2 -4.533 1.045 -4.367
7 HA CYS 2 HA CYS 2 -3.017 -0.958 -2.924
8 HB2 CYS 2 2HB CYS 2 -2.591 1.993 -3.387
9 HB3 CYS 2 1HB CYS 2 -1.518 1.002 -2.406
10 H CYS 3 H CYS 3 -5.362 -1.022 -1.782
11 HA CYS 3 HA CYS 3 -5.094 0.557 0.682
12 HB2 CYS 3 2HB CYS 3 -7.502 -1.048 -0.187
13 HB3 CYS 3 1HB CYS 3 -7.419 0.142 1.103
14 H SER 4 H SER 4 -6.266 -2.686 -0.244
15 HA SER 4 HA SER 4 -5.645 -3.684 2.392
16 HB2 SER 4 2HB SER 4 -6.811 -5.129 0.004
17 HB3 SER 4 1HB SER 4 -6.801 -5.702 1.673
18 HG SER 4 HG SER 4 -7.856 -3.335 1.801
19 H ASN 5 H ASN 5 -3.328 -2.994 1.389
20 HA ASN 5 HA ASN 5 -1.201 -3.656 1.008
21 HB2 ASN 5 2HB ASN 5 -1.784 -4.787 3.166
22 HB3 ASN 5 1HB ASN 5 -2.089 -6.258 2.244
23 HD21 ASN 5 2HD2 ASN 5 1.269 -7.094 1.880
24 HD22 ASN 5 1HD2 ASN 5 -0.376 -7.435 1.466
25 HA PRO 6 HA PRO 6 -1.483 -6.299 -2.686
26 HB2 PRO 6 2HB PRO 6 -0.958 -4.176 -4.451
27 HB3 PRO 6 1HB PRO 6 -2.499 -4.993 -4.229
28 HG2 PRO 6 2HG PRO 6 -1.857 -2.325 -3.550
29 HG3 PRO 6 1HG PRO 6 -3.359 -3.191 -3.196
30 HD2 PRO 6 2HD PRO 6 -1.069 -2.592 -1.435
31 HD3 PRO 6 1HD PRO 6 -2.756 -2.941 -1.015
32 H ALA 7 H ALA 7 0.442 -3.331 -3.037
33 HA ALA 7 HA ALA 7 2.821 -4.655 -2.045
34 HB1 ALA 7 1HB ALA 7 4.163 -4.222 -4.007
35 HB2 ALA 7 2HB ALA 7 2.779 -3.508 -4.830
36 HB3 ALA 7 3HB ALA 7 2.782 -5.228 -4.442
37 H CYS 8 H CYS 8 1.115 -1.829 -3.093
38 HA CYS 8 HA CYS 8 2.927 0.207 -2.828
39 HB2 CYS 8 2HB CYS 8 -0.003 0.032 -2.253
40 HB3 CYS 8 1HB CYS 8 0.869 1.539 -2.037
41 H ILE 9 H ILE 9 1.094 -1.331 -0.208
42 HA ILE 9 HA ILE 9 1.487 0.602 1.767
43 HB ILE 9 HB ILE 9 1.429 -2.325 2.431
44 HG12 ILE 9 2HG1 ILE 9 -0.198 -2.016 0.681
45 HG13 ILE 9 1HG1 ILE 9 -1.028 -2.236 2.222
46 HG21 ILE 9 1HG2 ILE 9 1.649 -0.751 4.280
47 HG22 ILE 9 2HG2 ILE 9 0.086 -1.568 4.328
48 HG23 ILE 9 3HG2 ILE 9 0.196 0.092 3.745
49 HD11 ILE 9 3HD1 ILE 9 -0.596 0.366 0.777
50 HD12 ILE 9 1HD1 ILE 9 -1.365 0.191 2.352
51 HD13 ILE 9 2HD1 ILE 9 -2.114 -0.521 0.923
52 H LEU 10 H LEU 10 3.490 -2.067 0.754
53 HA LEU 10 HA LEU 10 5.359 -2.046 2.835
54 HB2 LEU 10 2HB LEU 10 5.158 -3.758 1.023
55 HB3 LEU 10 1HB LEU 10 5.947 -2.631 -0.063
56 HG LEU 10 HG LEU 10 7.966 -2.686 1.337
57 HD11 LEU 10 1HD1 LEU 10 8.147 -4.377 3.120
58 HD12 LEU 10 2HD1 LEU 10 6.421 -4.700 2.960
59 HD13 LEU 10 3HD1 LEU 10 6.977 -3.115 3.495
60 HD21 LEU 10 3HD2 LEU 10 8.655 -4.965 0.808
61 HD22 LEU 10 1HD2 LEU 10 7.745 -4.251 -0.522
62 HD23 LEU 10 2HD2 LEU 10 6.972 -5.421 0.547
63 H ASN 11 H ASN 11 4.962 0.158 0.176
64 HA ASN 11 HA ASN 11 7.516 1.471 0.790
65 HB2 ASN 11 2HB ASN 11 5.560 1.894 -1.479
66 HB3 ASN 11 1HB ASN 11 7.026 2.838 -1.247
67 HD21 ASN 11 2HD2 ASN 11 7.444 -0.068 -3.635
68 HD22 ASN 11 1HD2 ASN 11 6.169 1.084 -3.442
69 H ASN 12 H ASN 12 4.207 1.678 1.395
70 HA ASN 12 HA ASN 12 2.805 3.161 2.374
71 HB2 ASN 12 2HB ASN 12 5.390 3.546 3.650
72 HB3 ASN 12 1HB ASN 12 4.396 4.993 3.726
73 HD21 ASN 12 2HD2 ASN 12 2.540 1.731 5.310
74 HD22 ASN 12 1HD2 ASN 12 3.159 1.704 3.695
75 HA PRO 13 HA PRO 13 3.706 6.773 -0.457
76 HB2 PRO 13 2HB PRO 13 2.324 5.634 -2.695
77 HB3 PRO 13 1HB PRO 13 4.031 6.037 -2.574
78 HG2 PRO 13 2HG PRO 13 3.071 3.468 -2.789
79 HG3 PRO 13 1HG PRO 13 4.634 3.894 -2.070
80 HD2 PRO 13 2HD PRO 13 2.022 3.318 -0.714
81 HD3 PRO 13 1HD PRO 13 3.660 2.780 -0.281
82 H ASN 14 H ASN 14 0.888 4.813 -1.343
83 HA ASN 14 HA ASN 14 -0.894 7.063 -0.929
84 HB2 ASN 14 2HB ASN 14 -1.305 5.752 -2.900
85 HB3 ASN 14 1HB ASN 14 -1.321 4.258 -1.975
86 HD21 ASN 14 2HD2 ASN 14 -4.783 4.463 -2.178
87 HD22 ASN 14 1HD2 ASN 14 -3.333 3.665 -2.682
88 H GLN 15 H GLN 15 -1.185 3.652 -0.036
89 HA GLN 15 HA GLN 15 -2.192 2.600 1.689
90 HB2 GLN 15 2HB GLN 15 -0.146 4.008 2.730
91 HB3 GLN 15 1HB GLN 15 -1.478 4.708 3.641
92 HG2 GLN 15 2HG GLN 15 -0.680 1.816 3.510
93 HG3 GLN 15 1HG GLN 15 -0.551 2.897 4.893
94 HE21 GLN 15 2HE2 GLN 15 -4.059 1.064 3.962
95 HE22 GLN 15 1HE2 GLN 15 -2.708 1.055 2.881
96 H CYS 16 H CYS 16 -4.336 2.693 1.274
97 HA CYS 16 HA CYS 16 -5.975 4.958 1.509
98 HB2 CYS 16 2HB CYS 16 -6.754 2.042 1.715
99 HB3 CYS 16 1HB CYS 16 -7.845 3.382 1.369
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -7.639 -1.878 -5.902
2 H2 GLY 1 2HT GLY 1 -7.354 -2.546 -4.379
3 H3 GLY 1 3HT GLY 1 -6.163 -2.635 -5.573
4 HA2 GLY 1 1HA GLY 1 -5.895 -0.251 -5.549
5 HA3 GLY 1 2HA GLY 1 -7.157 -0.136 -4.332
6 H CYS 2 H CYS 2 -5.006 1.030 -3.515
7 HA CYS 2 HA CYS 2 -3.078 -0.812 -2.401
8 HB2 CYS 2 2HB CYS 2 -3.278 2.196 -2.301
9 HB3 CYS 2 1HB CYS 2 -1.983 1.267 -1.549
10 H CYS 3 H CYS 3 -5.935 -0.664 -1.386
11 HA CYS 3 HA CYS 3 -5.193 -0.336 1.445
12 HB2 CYS 3 2HB CYS 3 -7.077 1.116 0.473
13 HB3 CYS 3 1HB CYS 3 -8.020 -0.365 0.399
14 H SER 4 H SER 4 -5.556 -2.582 -0.899
15 HA SER 4 HA SER 4 -6.528 -4.631 0.974
16 HB2 SER 4 2HB SER 4 -6.336 -4.783 -2.045
17 HB3 SER 4 1HB SER 4 -7.018 -6.014 -0.982
18 HG SER 4 HG SER 4 -8.479 -4.217 -0.282
19 H ASN 5 H ASN 5 -3.843 -3.363 0.639
20 HA ASN 5 HA ASN 5 -1.650 -3.850 0.645
21 HB2 ASN 5 2HB ASN 5 -2.185 -5.284 2.493
22 HB3 ASN 5 1HB ASN 5 -2.688 -6.580 1.412
23 HD21 ASN 5 2HD2 ASN 5 1.247 -5.946 2.229
24 HD22 ASN 5 1HD2 ASN 5 0.032 -4.812 2.700
25 HA PRO 6 HA PRO 6 -0.861 -5.746 -3.349
26 HB2 PRO 6 2HB PRO 6 -0.253 -3.428 -4.677
27 HB3 PRO 6 1HB PRO 6 -1.847 -4.179 -4.691
28 HG2 PRO 6 2HG PRO 6 -1.024 -1.700 -3.441
29 HG3 PRO 6 1HG PRO 6 -2.654 -2.355 -3.649
30 HD2 PRO 6 2HD PRO 6 -0.934 -2.395 -1.287
31 HD3 PRO 6 1HD PRO 6 -2.663 -2.765 -1.425
32 H ALA 7 H ALA 7 0.885 -2.712 -3.320
33 HA ALA 7 HA ALA 7 3.040 -3.834 -1.693
34 HB1 ALA 7 1HB ALA 7 4.745 -3.085 -3.274
35 HB2 ALA 7 2HB ALA 7 3.484 -2.581 -4.400
36 HB3 ALA 7 3HB ALA 7 3.681 -4.288 -4.002
37 H CYS 8 H CYS 8 0.892 -1.451 -2.243
38 HA CYS 8 HA CYS 8 2.354 0.917 -1.836
39 HB2 CYS 8 2HB CYS 8 -0.491 0.094 -1.680
40 HB3 CYS 8 1HB CYS 8 -0.034 1.616 -0.930
41 H ILE 9 H ILE 9 0.979 -1.417 0.378
42 HA ILE 9 HA ILE 9 1.073 0.207 2.703
43 HB ILE 9 HB ILE 9 1.543 -2.744 2.916
44 HG12 ILE 9 2HG1 ILE 9 -0.094 -2.578 1.105
45 HG13 ILE 9 1HG1 ILE 9 -0.836 -3.225 2.562
46 HG21 ILE 9 1HG2 ILE 9 1.348 -1.426 4.936
47 HG22 ILE 9 2HG2 ILE 9 -0.028 -2.519 4.789
48 HG23 ILE 9 3HG2 ILE 9 -0.218 -0.807 4.409
49 HD11 ILE 9 3HD1 ILE 9 -1.819 -1.045 3.026
50 HD12 ILE 9 1HD1 ILE 9 -2.304 -1.659 1.446
51 HD13 ILE 9 2HD1 ILE 9 -1.074 -0.401 1.563
52 H LEU 10 H LEU 10 3.347 -1.915 1.091
53 HA LEU 10 HA LEU 10 5.352 -1.967 3.063
54 HB2 LEU 10 2HB LEU 10 5.271 -3.566 1.231
55 HB3 LEU 10 1HB LEU 10 5.541 -2.283 0.068
56 HG LEU 10 HG LEU 10 7.790 -1.909 1.070
57 HD11 LEU 10 1HD1 LEU 10 8.718 -3.645 2.530
58 HD12 LEU 10 2HD1 LEU 10 7.130 -4.404 2.626
59 HD13 LEU 10 3HD1 LEU 10 7.378 -2.790 3.291
60 HD21 LEU 10 3HD2 LEU 10 8.812 -3.898 0.089
61 HD22 LEU 10 1HD2 LEU 10 7.512 -3.275 -0.927
62 HD23 LEU 10 2HD2 LEU 10 7.242 -4.701 0.074
63 H ASN 11 H ASN 11 5.298 -0.093 0.017
64 HA ASN 11 HA ASN 11 7.608 1.401 0.854
65 HB2 ASN 11 2HB ASN 11 5.835 1.812 -1.562
66 HB3 ASN 11 1HB ASN 11 7.406 2.561 -1.299
67 HD21 ASN 11 2HD2 ASN 11 7.103 -1.199 -2.732
68 HD22 ASN 11 1HD2 ASN 11 5.717 -0.274 -2.271
69 H ASN 12 H ASN 12 4.285 1.748 1.231
70 HA ASN 12 HA ASN 12 2.889 3.340 2.015
71 HB2 ASN 12 2HB ASN 12 5.407 3.780 3.388
72 HB3 ASN 12 1HB ASN 12 4.467 5.260 3.257
73 HD21 ASN 12 2HD2 ASN 12 2.433 2.221 5.066
74 HD22 ASN 12 1HD2 ASN 12 3.174 1.984 3.523
75 HA PRO 13 HA PRO 13 4.047 6.664 -1.072
76 HB2 PRO 13 2HB PRO 13 3.236 5.766 -3.435
77 HB3 PRO 13 1HB PRO 13 4.784 5.250 -2.768
78 HG2 PRO 13 2HG PRO 13 2.189 3.787 -2.844
79 HG3 PRO 13 1HG PRO 13 3.828 3.178 -3.128
80 HD2 PRO 13 2HD PRO 13 2.428 2.964 -0.735
81 HD3 PRO 13 1HD PRO 13 4.185 2.808 -0.912
82 H ASN 14 H ASN 14 1.326 4.810 -0.272
83 HA ASN 14 HA ASN 14 -0.498 6.980 -0.799
84 HB2 ASN 14 2HB ASN 14 -0.493 5.874 -2.968
85 HB3 ASN 14 1HB ASN 14 -0.799 4.317 -2.207
86 HD21 ASN 14 2HD2 ASN 14 -4.129 4.905 -3.076
87 HD22 ASN 14 1HD2 ASN 14 -2.675 4.046 -3.441
88 H GLN 15 H GLN 15 -0.744 3.448 -0.286
89 HA GLN 15 HA GLN 15 -2.111 2.237 1.102
90 HB2 GLN 15 2HB GLN 15 -0.493 3.961 2.664
91 HB3 GLN 15 1HB GLN 15 -2.081 3.965 3.414
92 HG2 GLN 15 2HG GLN 15 -0.541 1.464 2.766
93 HG3 GLN 15 1HG GLN 15 -0.395 2.318 4.295
94 HE21 GLN 15 2HE2 GLN 15 -4.106 0.744 3.600
95 HE22 GLN 15 1HE2 GLN 15 -3.316 1.675 2.378
96 H CYS 16 H CYS 16 -3.885 3.263 3.222
97 HA CYS 16 HA CYS 16 -5.668 4.998 1.687
98 HB2 CYS 16 2HB CYS 16 -7.587 3.592 2.543
99 HB3 CYS 16 1HB CYS 16 -6.605 2.861 1.286
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -7.236 -0.803 -7.129
2 H2 GLY 1 2HT GLY 1 -5.716 -1.535 -7.049
3 H3 GLY 1 3HT GLY 1 -5.863 0.132 -6.816
4 HA2 GLY 1 1HA GLY 1 -7.146 -0.247 -4.797
5 HA3 GLY 1 2HA GLY 1 -6.954 -1.976 -5.038
6 H CYS 2 H CYS 2 -5.967 0.210 -3.039
7 HA CYS 2 HA CYS 2 -3.371 -1.029 -2.647
8 HB2 CYS 2 2HB CYS 2 -3.724 1.899 -3.241
9 HB3 CYS 2 1HB CYS 2 -2.374 1.313 -2.275
10 H CYS 3 H CYS 3 -5.790 -1.170 -1.130
11 HA CYS 3 HA CYS 3 -5.046 0.392 1.248
12 HB2 CYS 3 2HB CYS 3 -7.343 0.754 0.350
13 HB3 CYS 3 1HB CYS 3 -7.702 -0.937 0.692
14 H SER 4 H SER 4 -5.508 -2.827 0.012
15 HA SER 4 HA SER 4 -5.391 -4.084 2.597
16 HB2 SER 4 2HB SER 4 -6.599 -5.123 0.696
17 HB3 SER 4 1HB SER 4 -5.072 -5.305 -0.159
18 HG SER 4 HG SER 4 -4.831 -6.364 2.288
19 H ASN 5 H ASN 5 -3.254 -5.182 0.007
20 HA ASN 5 HA ASN 5 -1.065 -3.559 0.549
21 HB2 ASN 5 2HB ASN 5 -0.913 -4.713 2.718
22 HB3 ASN 5 1HB ASN 5 -0.764 -6.258 1.876
23 HD21 ASN 5 2HD2 ASN 5 2.677 -5.821 2.196
24 HD22 ASN 5 1HD2 ASN 5 1.266 -6.687 2.691
25 HA PRO 6 HA PRO 6 -0.331 -6.086 -3.201
26 HB2 PRO 6 2HB PRO 6 -0.313 -3.962 -4.907
27 HB3 PRO 6 1HB PRO 6 -1.757 -4.923 -4.577
28 HG2 PRO 6 2HG PRO 6 -0.988 -2.242 -3.538
29 HG3 PRO 6 1HG PRO 6 -2.590 -2.874 -3.944
30 HD2 PRO 6 2HD PRO 6 -1.594 -2.648 -1.386
31 HD3 PRO 6 1HD PRO 6 -2.886 -3.764 -1.870
32 H ALA 7 H ALA 7 0.661 -2.712 -2.759
33 HA ALA 7 HA ALA 7 3.280 -3.370 -1.859
34 HB1 ALA 7 1HB ALA 7 4.549 -2.373 -3.687
35 HB2 ALA 7 2HB ALA 7 3.061 -2.106 -4.595
36 HB3 ALA 7 3HB ALA 7 3.610 -3.750 -4.266
37 H CYS 8 H CYS 8 0.821 -1.159 -2.840
38 HA CYS 8 HA CYS 8 1.920 1.309 -2.262
39 HB2 CYS 8 2HB CYS 8 -0.845 0.190 -2.110
40 HB3 CYS 8 1HB CYS 8 -0.513 1.863 -1.717
41 H ILE 9 H ILE 9 0.753 -1.117 -0.085
42 HA ILE 9 HA ILE 9 0.760 0.634 2.226
43 HB ILE 9 HB ILE 9 0.788 -2.373 2.359
44 HG12 ILE 9 2HG1 ILE 9 -0.852 -1.714 0.650
45 HG13 ILE 9 1HG1 ILE 9 -1.628 -2.395 2.078
46 HG21 ILE 9 1HG2 ILE 9 -0.525 -0.255 4.056
47 HG22 ILE 9 2HG2 ILE 9 0.943 -1.143 4.455
48 HG23 ILE 9 3HG2 ILE 9 -0.596 -1.994 4.341
49 HD11 ILE 9 3HD1 ILE 9 -2.824 -0.469 1.204
50 HD12 ILE 9 1HD1 ILE 9 -1.389 0.527 1.439
51 HD13 ILE 9 2HD1 ILE 9 -2.211 -0.178 2.832
52 H LEU 10 H LEU 10 2.603 -2.192 1.155
53 HA LEU 10 HA LEU 10 4.554 -2.333 3.073
54 HB2 LEU 10 2HB LEU 10 4.288 -3.983 1.313
55 HB3 LEU 10 1HB LEU 10 4.813 -2.824 0.108
56 HG LEU 10 HG LEU 10 7.051 -2.771 1.194
57 HD11 LEU 10 1HD1 LEU 10 5.940 -5.047 2.829
58 HD12 LEU 10 2HD1 LEU 10 6.384 -3.452 3.436
59 HD13 LEU 10 3HD1 LEU 10 7.625 -4.528 2.790
60 HD21 LEU 10 3HD2 LEU 10 6.091 -5.492 0.320
61 HD22 LEU 10 1HD2 LEU 10 7.768 -4.946 0.356
62 HD23 LEU 10 2HD2 LEU 10 6.616 -4.188 -0.745
63 H ASN 11 H ASN 11 4.854 -0.540 0.001
64 HA ASN 11 HA ASN 11 7.269 0.758 0.929
65 HB2 ASN 11 2HB ASN 11 5.671 1.330 -1.580
66 HB3 ASN 11 1HB ASN 11 7.330 1.815 -1.255
67 HD21 ASN 11 2HD2 ASN 11 7.071 -1.272 -3.408
68 HD22 ASN 11 1HD2 ASN 11 6.230 0.238 -3.434
69 H ASN 12 H ASN 12 3.951 1.268 0.944
70 HA ASN 12 HA ASN 12 2.531 2.858 1.636
71 HB2 ASN 12 2HB ASN 12 4.132 2.444 3.633
72 HB3 ASN 12 1HB ASN 12 4.735 4.058 3.274
73 HD21 ASN 12 2HD2 ASN 12 1.832 3.948 5.742
74 HD22 ASN 12 1HD2 ASN 12 3.192 2.897 5.553
75 HA PRO 13 HA PRO 13 4.137 6.489 -0.813
76 HB2 PRO 13 2HB PRO 13 3.744 5.863 -3.346
77 HB3 PRO 13 1HB PRO 13 5.144 5.222 -2.490
78 HG2 PRO 13 2HG PRO 13 2.570 3.871 -3.151
79 HG3 PRO 13 1HG PRO 13 4.224 3.241 -3.265
80 HD2 PRO 13 2HD PRO 13 2.481 2.808 -1.141
81 HD3 PRO 13 1HD PRO 13 4.242 2.610 -1.080
82 H ASN 14 H ASN 14 1.382 4.702 -0.385
83 HA ASN 14 HA ASN 14 -0.355 6.843 -1.337
84 HB2 ASN 14 2HB ASN 14 -0.145 5.135 -3.173
85 HB3 ASN 14 1HB ASN 14 -0.828 3.944 -2.073
86 HD21 ASN 14 2HD2 ASN 14 -4.132 4.989 -2.491
87 HD22 ASN 14 1HD2 ASN 14 -3.022 3.991 -1.621
88 H GLN 15 H GLN 15 -0.554 3.525 -0.047
89 HA GLN 15 HA GLN 15 -1.918 2.590 1.519
90 HB2 GLN 15 2HB GLN 15 -0.260 4.481 2.675
91 HB3 GLN 15 1HB GLN 15 -1.833 4.841 3.379
92 HG2 GLN 15 2HG GLN 15 -0.603 2.099 3.350
93 HG3 GLN 15 1HG GLN 15 -0.377 3.250 4.664
94 HE21 GLN 15 2HE2 GLN 15 -3.907 1.291 4.154
95 HE22 GLN 15 1HE2 GLN 15 -2.717 1.374 2.895
96 H CYS 16 H CYS 16 -3.832 3.435 3.291
97 HA CYS 16 HA CYS 16 -5.668 5.060 1.700
98 HB2 CYS 16 2HB CYS 16 -7.492 3.451 2.365
99 HB3 CYS 16 1HB CYS 16 -6.342 2.840 1.190
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -7.372 -2.694 -4.224
2 H2 GLY 1 2HT GLY 1 -6.184 -3.385 -5.206
3 H3 GLY 1 3HT GLY 1 -7.476 -2.548 -5.906
4 HA2 GLY 1 1HA GLY 1 -5.487 -1.199 -5.956
5 HA3 GLY 1 2HA GLY 1 -6.713 -0.482 -4.922
6 H CYS 2 H CYS 2 -4.650 0.613 -4.134
7 HA CYS 2 HA CYS 2 -2.957 -1.077 -2.486
8 HB2 CYS 2 2HB CYS 2 -2.833 1.875 -3.108
9 HB3 CYS 2 1HB CYS 2 -1.674 1.024 -2.091
10 H CYS 3 H CYS 3 -5.896 -0.131 -1.898
11 HA CYS 3 HA CYS 3 -5.470 0.877 0.787
12 HB2 CYS 3 2HB CYS 3 -7.460 1.609 -0.505
13 HB3 CYS 3 1HB CYS 3 -8.035 -0.052 -0.535
14 H SER 4 H SER 4 -6.339 -2.114 -0.852
15 HA SER 4 HA SER 4 -5.912 -3.591 1.649
16 HB2 SER 4 2HB SER 4 -7.934 -4.172 0.308
17 HB3 SER 4 1HB SER 4 -6.886 -4.603 -1.042
18 HG SER 4 HG SER 4 -6.317 -6.404 -0.056
19 H ASN 5 H ASN 5 -3.956 -4.355 2.012
20 HA ASN 5 HA ASN 5 -1.716 -3.557 0.804
21 HB2 ASN 5 2HB ASN 5 -1.685 -4.631 2.957
22 HB3 ASN 5 1HB ASN 5 -2.113 -6.180 2.239
23 HD21 ASN 5 2HD2 ASN 5 1.143 -6.987 1.263
24 HD22 ASN 5 1HD2 ASN 5 -0.542 -7.360 1.141
25 HA PRO 6 HA PRO 6 -1.064 -6.220 -2.756
26 HB2 PRO 6 2HB PRO 6 -0.482 -4.121 -4.460
27 HB3 PRO 6 1HB PRO 6 -2.070 -4.870 -4.299
28 HG2 PRO 6 2HG PRO 6 -1.307 -2.217 -3.564
29 HG3 PRO 6 1HG PRO 6 -2.884 -2.991 -3.351
30 HD2 PRO 6 2HD PRO 6 -0.689 -2.611 -1.397
31 HD3 PRO 6 1HD PRO 6 -2.433 -2.787 -1.118
32 H ALA 7 H ALA 7 0.719 -3.211 -3.178
33 HA ALA 7 HA ALA 7 3.098 -4.344 -1.905
34 HB1 ALA 7 1HB ALA 7 3.140 -3.088 -4.647
35 HB2 ALA 7 2HB ALA 7 3.273 -4.814 -4.316
36 HB3 ALA 7 3HB ALA 7 4.526 -3.710 -3.754
37 H CYS 8 H CYS 8 1.210 -1.598 -2.912
38 HA CYS 8 HA CYS 8 2.849 0.548 -2.525
39 HB2 CYS 8 2HB CYS 8 -0.058 0.145 -1.923
40 HB3 CYS 8 1HB CYS 8 0.716 1.703 -1.675
41 H ILE 9 H ILE 9 1.100 -1.206 0.004
42 HA ILE 9 HA ILE 9 1.484 0.539 2.140
43 HB ILE 9 HB ILE 9 1.688 -2.391 2.680
44 HG12 ILE 9 2HG1 ILE 9 0.141 -2.296 0.791
45 HG13 ILE 9 1HG1 ILE 9 -0.700 -2.723 2.277
46 HG21 ILE 9 1HG2 ILE 9 1.535 -0.818 4.524
47 HG22 ILE 9 2HG2 ILE 9 0.097 -1.838 4.456
48 HG23 ILE 9 3HG2 ILE 9 0.027 -0.175 3.871
49 HD11 ILE 9 3HD1 ILE 9 -1.545 -0.461 2.467
50 HD12 ILE 9 1HD1 ILE 9 -1.990 -1.175 0.917
51 HD13 ILE 9 2HD1 ILE 9 -0.676 0.001 1.003
52 H LEU 10 H LEU 10 3.661 -1.794 0.715
53 HA LEU 10 HA LEU 10 5.530 -1.942 2.837
54 HB2 LEU 10 2HB LEU 10 5.712 -2.556 -0.098
55 HB3 LEU 10 1HB LEU 10 7.105 -2.701 0.952
56 HG LEU 10 HG LEU 10 5.814 -4.350 2.330
57 HD11 LEU 10 1HD1 LEU 10 3.555 -3.703 1.695
58 HD12 LEU 10 2HD1 LEU 10 3.850 -5.405 1.334
59 HD13 LEU 10 3HD1 LEU 10 3.866 -4.212 0.035
60 HD21 LEU 10 3HD2 LEU 10 6.230 -5.015 -0.579
61 HD22 LEU 10 1HD2 LEU 10 6.082 -6.186 0.731
62 HD23 LEU 10 2HD2 LEU 10 7.451 -5.075 0.693
63 H ASN 11 H ASN 11 5.022 0.385 0.318
64 HA ASN 11 HA ASN 11 7.590 1.672 0.972
65 HB2 ASN 11 2HB ASN 11 5.829 2.062 -1.456
66 HB3 ASN 11 1HB ASN 11 7.356 2.883 -1.160
67 HD21 ASN 11 2HD2 ASN 11 7.657 -0.176 -3.368
68 HD22 ASN 11 1HD2 ASN 11 6.490 1.100 -3.326
69 H ASN 12 H ASN 12 4.272 1.863 1.298
70 HA ASN 12 HA ASN 12 2.786 3.321 2.156
71 HB2 ASN 12 2HB ASN 12 5.263 4.407 3.497
72 HB3 ASN 12 1HB ASN 12 3.618 4.849 3.938
73 HD21 ASN 12 2HD2 ASN 12 2.944 1.883 5.670
74 HD22 ASN 12 1HD2 ASN 12 2.279 3.284 4.906
75 HA PRO 13 HA PRO 13 3.983 6.942 -0.613
76 HB2 PRO 13 2HB PRO 13 2.369 5.913 -2.774
77 HB3 PRO 13 1HB PRO 13 4.098 6.262 -2.772
78 HG2 PRO 13 2HG PRO 13 3.051 3.738 -2.955
79 HG3 PRO 13 1HG PRO 13 4.662 4.100 -2.310
80 HD2 PRO 13 2HD PRO 13 2.116 3.534 -0.844
81 HD3 PRO 13 1HD PRO 13 3.771 2.997 -0.482
82 H ASN 14 H ASN 14 0.938 5.135 -0.997
83 HA ASN 14 HA ASN 14 -0.502 7.576 -0.238
84 HB2 ASN 14 2HB ASN 14 -2.409 6.749 -1.538
85 HB3 ASN 14 1HB ASN 14 -0.977 6.907 -2.544
86 HD21 ASN 14 2HD2 ASN 14 -2.859 3.683 -3.089
87 HD22 ASN 14 1HD2 ASN 14 -3.390 5.315 -2.903
88 H GLN 15 H GLN 15 -0.753 4.006 -0.072
89 HA GLN 15 HA GLN 15 -1.704 2.611 1.412
90 HB2 GLN 15 2HB GLN 15 -0.058 4.235 2.842
91 HB3 GLN 15 1HB GLN 15 -1.579 4.495 3.691
92 HG2 GLN 15 2HG GLN 15 -0.285 1.826 3.172
93 HG3 GLN 15 1HG GLN 15 -0.190 2.726 4.681
94 HE21 GLN 15 2HE2 GLN 15 -3.532 0.637 3.690
95 HE22 GLN 15 1HE2 GLN 15 -2.321 1.019 2.506
96 H CYS 16 H CYS 16 -3.388 3.426 3.745
97 HA CYS 16 HA CYS 16 -5.628 4.819 2.677
98 HB2 CYS 16 2HB CYS 16 -5.636 2.783 1.259
99 HB3 CYS 16 1HB CYS 16 -5.762 1.793 2.706
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -5.654 0.121 -6.748
2 H2 GLY 1 2HT GLY 1 -6.074 1.306 -5.621
3 H3 GLY 1 3HT GLY 1 -7.276 0.539 -6.519
4 HA2 GLY 1 1HA GLY 1 -7.263 -0.351 -4.307
5 HA3 GLY 1 2HA GLY 1 -6.752 -1.571 -5.463
6 H CYS 2 H CYS 2 -5.530 0.826 -3.153
7 HA CYS 2 HA CYS 2 -3.344 -1.054 -2.587
8 HB2 CYS 2 2HB CYS 2 -3.144 1.946 -2.803
9 HB3 CYS 2 1HB CYS 2 -1.936 0.957 -1.985
10 H CYS 3 H CYS 3 -6.072 -0.110 -1.392
11 HA CYS 3 HA CYS 3 -5.295 0.882 1.178
12 HB2 CYS 3 2HB CYS 3 -7.477 1.422 0.083
13 HB3 CYS 3 1HB CYS 3 -7.970 -0.249 0.342
14 H SER 4 H SER 4 -6.009 -2.270 -0.205
15 HA SER 4 HA SER 4 -6.132 -3.538 2.383
16 HB2 SER 4 2HB SER 4 -7.456 -4.368 0.430
17 HB3 SER 4 1HB SER 4 -5.948 -4.864 -0.331
18 HG SER 4 HG SER 4 -6.456 -6.655 0.700
19 H ASN 5 H ASN 5 -4.144 -4.774 -0.289
20 HA ASN 5 HA ASN 5 -1.687 -3.970 0.819
21 HB2 ASN 5 2HB ASN 5 -1.943 -5.522 2.574
22 HB3 ASN 5 1HB ASN 5 -2.535 -6.782 1.488
23 HD21 ASN 5 2HD2 ASN 5 1.471 -6.057 1.842
24 HD22 ASN 5 1HD2 ASN 5 0.302 -4.934 2.442
25 HA PRO 6 HA PRO 6 -0.202 -5.545 -2.988
26 HB2 PRO 6 2HB PRO 6 0.010 -3.216 -4.357
27 HB3 PRO 6 1HB PRO 6 -1.443 -4.212 -4.425
28 HG2 PRO 6 2HG PRO 6 -1.056 -1.610 -3.177
29 HG3 PRO 6 1HG PRO 6 -2.559 -2.469 -3.539
30 HD2 PRO 6 2HD PRO 6 -1.086 -2.308 -1.014
31 HD3 PRO 6 1HD PRO 6 -2.737 -2.886 -1.314
32 H ALA 7 H ALA 7 1.775 -3.611 -4.005
33 HA ALA 7 HA ALA 7 3.652 -3.723 -1.846
34 HB1 ALA 7 1HB ALA 7 5.212 -2.683 -3.395
35 HB2 ALA 7 2HB ALA 7 3.892 -2.357 -4.520
36 HB3 ALA 7 3HB ALA 7 4.355 -4.021 -4.160
37 H CYS 8 H CYS 8 1.245 -1.519 -2.730
38 HA CYS 8 HA CYS 8 2.353 0.960 -2.166
39 HB2 CYS 8 2HB CYS 8 -0.412 -0.159 -1.979
40 HB3 CYS 8 1HB CYS 8 -0.075 1.493 -1.503
41 H ILE 9 H ILE 9 1.177 -1.493 0.029
42 HA ILE 9 HA ILE 9 1.103 0.155 2.351
43 HB ILE 9 HB ILE 9 1.749 -2.762 2.557
44 HG12 ILE 9 2HG1 ILE 9 0.037 -2.646 0.816
45 HG13 ILE 9 1HG1 ILE 9 -0.613 -3.336 2.298
46 HG21 ILE 9 1HG2 ILE 9 0.225 -2.609 4.486
47 HG22 ILE 9 2HG2 ILE 9 -0.026 -0.900 4.130
48 HG23 ILE 9 3HG2 ILE 9 1.574 -1.479 4.597
49 HD11 ILE 9 3HD1 ILE 9 -1.011 -0.516 1.343
50 HD12 ILE 9 1HD1 ILE 9 -1.661 -1.203 2.831
51 HD13 ILE 9 2HD1 ILE 9 -2.194 -1.823 1.268
52 H LEU 10 H LEU 10 3.497 -2.097 1.060
53 HA LEU 10 HA LEU 10 5.315 -1.947 3.185
54 HB2 LEU 10 2HB LEU 10 5.657 -2.728 0.299
55 HB3 LEU 10 1HB LEU 10 6.982 -2.787 1.443
56 HG LEU 10 HG LEU 10 5.601 -4.375 2.831
57 HD11 LEU 10 1HD1 LEU 10 3.400 -3.837 1.941
58 HD12 LEU 10 2HD1 LEU 10 3.765 -5.548 1.726
59 HD13 LEU 10 3HD1 LEU 10 3.879 -4.444 0.356
60 HD21 LEU 10 3HD2 LEU 10 6.063 -6.302 1.390
61 HD22 LEU 10 1HD2 LEU 10 7.403 -5.156 1.405
62 HD23 LEU 10 2HD2 LEU 10 6.308 -5.214 0.024
63 H ASN 11 H ASN 11 5.364 -0.255 0.046
64 HA ASN 11 HA ASN 11 7.614 1.368 0.866
65 HB2 ASN 11 2HB ASN 11 5.857 1.381 -1.588
66 HB3 ASN 11 1HB ASN 11 7.133 2.562 -1.329
67 HD21 ASN 11 2HD2 ASN 11 8.221 -0.474 -3.316
68 HD22 ASN 11 1HD2 ASN 11 6.761 0.456 -3.365
69 H ASN 12 H ASN 12 4.249 1.482 0.979
70 HA ASN 12 HA ASN 12 2.697 2.859 1.820
71 HB2 ASN 12 2HB ASN 12 4.454 2.650 3.705
72 HB3 ASN 12 1HB ASN 12 4.822 4.321 3.332
73 HD21 ASN 12 2HD2 ASN 12 1.473 3.285 5.308
74 HD22 ASN 12 1HD2 ASN 12 2.550 2.129 4.599
75 HA PRO 13 HA PRO 13 3.661 6.740 -0.541
76 HB2 PRO 13 2HB PRO 13 3.467 6.169 -3.136
77 HB3 PRO 13 1HB PRO 13 4.963 5.885 -2.245
78 HG2 PRO 13 2HG PRO 13 2.943 3.939 -3.202
79 HG3 PRO 13 1HG PRO 13 4.687 3.734 -2.985
80 HD2 PRO 13 2HD PRO 13 2.618 2.940 -1.202
81 HD3 PRO 13 1HD PRO 13 4.367 2.870 -0.918
82 H ASN 14 H ASN 14 1.265 4.287 -0.763
83 HA ASN 14 HA ASN 14 -0.811 6.273 -1.202
84 HB2 ASN 14 2HB ASN 14 -0.047 5.222 -3.450
85 HB3 ASN 14 1HB ASN 14 -0.873 3.775 -2.882
86 HD21 ASN 14 2HD2 ASN 14 -4.111 5.066 -3.331
87 HD22 ASN 14 1HD2 ASN 14 -3.147 3.879 -2.521
88 H GLN 15 H GLN 15 -0.212 4.968 1.142
89 HA GLN 15 HA GLN 15 -2.111 2.855 1.491
90 HB2 GLN 15 2HB GLN 15 0.050 3.884 2.988
91 HB3 GLN 15 1HB GLN 15 -1.390 4.105 3.978
92 HG2 GLN 15 2HG GLN 15 -0.410 1.533 2.764
93 HG3 GLN 15 1HG GLN 15 -0.376 1.982 4.470
94 HE21 GLN 15 2HE2 GLN 15 -3.820 0.742 2.689
95 HE22 GLN 15 1HE2 GLN 15 -2.469 1.305 1.754
96 H CYS 16 H CYS 16 -4.064 2.985 2.624
97 HA CYS 16 HA CYS 16 -5.425 5.482 2.126
98 HB2 CYS 16 2HB CYS 16 -7.469 4.123 2.739
99 HB3 CYS 16 1HB CYS 16 -6.561 3.538 1.355
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -7.737 0.363 -3.914
2 H2 GLY 1 2HT GLY 1 -7.780 0.953 -5.498
3 H3 GLY 1 3HT GLY 1 -6.674 1.588 -4.392
4 HA2 GLY 1 1HA GLY 1 -6.689 -1.186 -5.434
5 HA3 GLY 1 2HA GLY 1 -5.587 0.086 -5.935
6 H CYS 2 H CYS 2 -4.917 1.238 -3.495
7 HA CYS 2 HA CYS 2 -3.154 -0.874 -2.560
8 HB2 CYS 2 2HB CYS 2 -3.062 2.099 -2.078
9 HB3 CYS 2 1HB CYS 2 -1.860 0.936 -1.514
10 H CYS 3 H CYS 3 -6.082 0.174 -1.584
11 HA CYS 3 HA CYS 3 -5.530 0.117 1.269
12 HB2 CYS 3 2HB CYS 3 -7.252 1.643 0.163
13 HB3 CYS 3 1HB CYS 3 -8.238 0.209 -0.073
14 H SER 4 H SER 4 -5.620 -2.149 -1.006
15 HA SER 4 HA SER 4 -6.936 -4.146 0.711
16 HB2 SER 4 2HB SER 4 -6.400 -4.344 -2.263
17 HB3 SER 4 1HB SER 4 -7.341 -5.467 -1.278
18 HG SER 4 HG SER 4 -8.935 -3.990 -1.080
19 H ASN 5 H ASN 5 -4.277 -3.133 1.014
20 HA ASN 5 HA ASN 5 -2.115 -3.716 1.269
21 HB2 ASN 5 2HB ASN 5 -3.029 -5.040 3.002
22 HB3 ASN 5 1HB ASN 5 -3.515 -6.307 1.885
23 HD21 ASN 5 2HD2 ASN 5 0.535 -6.167 2.183
24 HD22 ASN 5 1HD2 ASN 5 -0.357 -4.831 1.554
25 HA PRO 6 HA PRO 6 -0.627 -5.665 -2.454
26 HB2 PRO 6 2HB PRO 6 -0.362 -3.519 -4.073
27 HB3 PRO 6 1HB PRO 6 -1.856 -4.447 -3.998
28 HG2 PRO 6 2HG PRO 6 -1.313 -1.747 -3.041
29 HG3 PRO 6 1HG PRO 6 -2.865 -2.558 -3.306
30 HD2 PRO 6 2HD PRO 6 -1.370 -2.208 -0.817
31 HD3 PRO 6 1HD PRO 6 -3.044 -2.755 -1.050
32 H ALA 7 H ALA 7 1.370 -3.991 -3.741
33 HA ALA 7 HA ALA 7 3.381 -4.071 -1.741
34 HB1 ALA 7 1HB ALA 7 3.830 -4.508 -4.101
35 HB2 ALA 7 2HB ALA 7 4.873 -3.245 -3.451
36 HB3 ALA 7 3HB ALA 7 3.501 -2.817 -4.471
37 H CYS 8 H CYS 8 1.085 -1.668 -2.489
38 HA CYS 8 HA CYS 8 2.477 0.685 -1.981
39 HB2 CYS 8 2HB CYS 8 -0.335 -0.183 -1.829
40 HB3 CYS 8 1HB CYS 8 0.084 1.243 -0.891
41 H ILE 9 H ILE 9 1.360 -1.758 0.246
42 HA ILE 9 HA ILE 9 1.566 -0.131 2.593
43 HB ILE 9 HB ILE 9 1.924 -3.088 2.767
44 HG12 ILE 9 2HG1 ILE 9 0.244 -2.835 1.021
45 HG13 ILE 9 1HG1 ILE 9 -0.488 -3.449 2.503
46 HG21 ILE 9 1HG2 ILE 9 0.447 -2.811 4.703
47 HG22 ILE 9 2HG2 ILE 9 0.284 -1.095 4.327
48 HG23 ILE 9 3HG2 ILE 9 1.853 -1.751 4.796
49 HD11 ILE 9 3HD1 ILE 9 -1.346 -1.224 2.999
50 HD12 ILE 9 1HD1 ILE 9 -1.903 -1.793 1.427
51 HD13 ILE 9 2HD1 ILE 9 -0.603 -0.607 1.523
52 H LEU 10 H LEU 10 3.730 -1.985 0.673
53 HA LEU 10 HA LEU 10 5.811 -2.344 2.553
54 HB2 LEU 10 2HB LEU 10 5.698 -3.646 0.511
55 HB3 LEU 10 1HB LEU 10 5.885 -2.198 -0.459
56 HG LEU 10 HG LEU 10 8.165 -1.907 0.501
57 HD11 LEU 10 1HD1 LEU 10 9.197 -3.818 1.640
58 HD12 LEU 10 2HD1 LEU 10 7.628 -4.623 1.687
59 HD13 LEU 10 3HD1 LEU 10 7.875 -3.121 2.577
60 HD21 LEU 10 3HD2 LEU 10 7.663 -4.542 -0.870
61 HD22 LEU 10 1HD2 LEU 10 9.195 -3.671 -0.819
62 HD23 LEU 10 2HD2 LEU 10 7.814 -2.977 -1.667
63 H ASN 11 H ASN 11 5.258 0.184 0.098
64 HA ASN 11 HA ASN 11 7.594 1.620 1.132
65 HB2 ASN 11 2HB ASN 11 5.967 2.133 -1.365
66 HB3 ASN 11 1HB ASN 11 7.416 3.012 -0.890
67 HD21 ASN 11 2HD2 ASN 11 7.663 -0.594 -2.700
68 HD22 ASN 11 1HD2 ASN 11 6.147 0.098 -2.232
69 H ASN 12 H ASN 12 4.246 1.618 1.251
70 HA ASN 12 HA ASN 12 2.634 2.937 2.094
71 HB2 ASN 12 2HB ASN 12 4.924 4.072 3.700
72 HB3 ASN 12 1HB ASN 12 3.221 4.337 4.047
73 HD21 ASN 12 2HD2 ASN 12 2.675 1.120 5.382
74 HD22 ASN 12 1HD2 ASN 12 1.921 2.469 4.603
75 HA PRO 13 HA PRO 13 3.580 6.830 -0.256
76 HB2 PRO 13 2HB PRO 13 2.551 5.953 -2.729
77 HB3 PRO 13 1HB PRO 13 4.250 6.209 -2.333
78 HG2 PRO 13 2HG PRO 13 3.016 3.744 -2.900
79 HG3 PRO 13 1HG PRO 13 4.636 3.986 -2.231
80 HD2 PRO 13 2HD PRO 13 2.102 3.278 -0.854
81 HD3 PRO 13 1HD PRO 13 3.775 2.837 -0.450
82 H ASN 14 H ASN 14 1.002 4.791 -1.582
83 HA ASN 14 HA ASN 14 -0.986 6.830 -0.984
84 HB2 ASN 14 2HB ASN 14 -1.127 5.877 -3.189
85 HB3 ASN 14 1HB ASN 14 -1.096 4.240 -2.544
86 HD21 ASN 14 2HD2 ASN 14 -4.543 4.272 -2.993
87 HD22 ASN 14 1HD2 ASN 14 -3.006 3.653 -3.503
88 H GLN 15 H GLN 15 -0.908 3.286 -0.668
89 HA GLN 15 HA GLN 15 -1.782 1.855 0.798
90 HB2 GLN 15 2HB GLN 15 -0.178 3.370 2.266
91 HB3 GLN 15 1HB GLN 15 -1.690 3.851 3.018
92 HG2 GLN 15 2HG GLN 15 -0.676 1.031 2.765
93 HG3 GLN 15 1HG GLN 15 -0.597 2.028 4.214
94 HE21 GLN 15 2HE2 GLN 15 -4.083 0.272 3.075
95 HE22 GLN 15 1HE2 GLN 15 -2.759 0.440 1.965
96 H CYS 16 H CYS 16 -3.212 4.324 2.813
97 HA CYS 16 HA CYS 16 -5.706 4.461 1.496
98 HB2 CYS 16 2HB CYS 16 -5.568 2.013 2.281
99 HB3 CYS 16 1HB CYS 16 -5.735 2.649 3.909
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -5.891 2.519 -5.632
2 H2 GLY 1 2HT GLY 1 -6.905 3.156 -4.438
3 H3 GLY 1 3HT GLY 1 -7.561 2.280 -5.724
4 HA2 GLY 1 1HA GLY 1 -7.529 0.924 -3.749
5 HA3 GLY 1 2HA GLY 1 -6.443 0.276 -4.972
6 H CYS 2 H CYS 2 -4.920 -0.691 -3.782
7 HA CYS 2 HA CYS 2 -3.126 -0.979 -2.438
8 HB2 CYS 2 2HB CYS 2 -3.017 2.004 -2.785
9 HB3 CYS 2 1HB CYS 2 -1.824 1.138 -1.822
10 H CYS 3 H CYS 3 -5.767 -0.721 -1.257
11 HA CYS 3 HA CYS 3 -5.242 0.573 1.293
12 HB2 CYS 3 2HB CYS 3 -7.442 0.848 0.140
13 HB3 CYS 3 1HB CYS 3 -7.743 -0.870 0.402
14 H SER 4 H SER 4 -6.064 -2.694 0.082
15 HA SER 4 HA SER 4 -5.730 -3.838 2.697
16 HB2 SER 4 2HB SER 4 -7.315 -4.853 1.153
17 HB3 SER 4 1HB SER 4 -6.030 -5.155 -0.011
18 HG SER 4 HG SER 4 -6.662 -6.491 2.340
19 H ASN 5 H ASN 5 -4.119 -5.110 -0.194
20 HA ASN 5 HA ASN 5 -1.551 -4.155 0.416
21 HB2 ASN 5 2HB ASN 5 -1.646 -5.693 2.326
22 HB3 ASN 5 1HB ASN 5 -1.999 -7.034 1.237
23 HD21 ASN 5 2HD2 ASN 5 1.429 -7.675 1.336
24 HD22 ASN 5 1HD2 ASN 5 -0.158 -8.165 1.826
25 HA PRO 6 HA PRO 6 -1.509 -6.069 -3.689
26 HB2 PRO 6 2HB PRO 6 -1.153 -3.707 -5.053
27 HB3 PRO 6 1HB PRO 6 -2.713 -4.487 -4.813
28 HG2 PRO 6 2HG PRO 6 -1.705 -2.032 -3.651
29 HG3 PRO 6 1HG PRO 6 -3.344 -2.690 -3.618
30 HD2 PRO 6 2HD PRO 6 -1.324 -2.727 -1.542
31 HD3 PRO 6 1HD PRO 6 -3.024 -3.217 -1.446
32 H ALA 7 H ALA 7 0.205 -3.173 -2.573
33 HA ALA 7 HA ALA 7 2.655 -4.465 -2.143
34 HB1 ALA 7 1HB ALA 7 2.613 -2.759 -4.632
35 HB2 ALA 7 2HB ALA 7 2.764 -4.516 -4.597
36 HB3 ALA 7 3HB ALA 7 4.030 -3.507 -3.898
37 H CYS 8 H CYS 8 1.004 -1.459 -2.950
38 HA CYS 8 HA CYS 8 2.657 0.539 -2.218
39 HB2 CYS 8 2HB CYS 8 -0.279 0.186 -1.712
40 HB3 CYS 8 1HB CYS 8 0.544 1.685 -1.333
41 H ILE 9 H ILE 9 0.890 -1.471 0.071
42 HA ILE 9 HA ILE 9 1.096 0.007 2.395
43 HB ILE 9 HB ILE 9 1.599 -2.934 2.571
44 HG12 ILE 9 2HG1 ILE 9 0.046 -2.743 0.708
45 HG13 ILE 9 1HG1 ILE 9 -0.760 -3.418 2.121
46 HG21 ILE 9 1HG2 ILE 9 1.312 -1.661 4.610
47 HG22 ILE 9 2HG2 ILE 9 -0.049 -2.759 4.386
48 HG23 ILE 9 3HG2 ILE 9 -0.235 -1.041 4.033
49 HD11 ILE 9 3HD1 ILE 9 -2.199 -1.842 0.989
50 HD12 ILE 9 1HD1 ILE 9 -0.975 -0.583 1.136
51 HD13 ILE 9 2HD1 ILE 9 -1.754 -1.226 2.581
52 H LEU 10 H LEU 10 3.531 -1.877 0.764
53 HA LEU 10 HA LEU 10 5.349 -2.138 2.914
54 HB2 LEU 10 2HB LEU 10 5.346 -3.522 0.860
55 HB3 LEU 10 1HB LEU 10 5.926 -2.138 -0.045
56 HG LEU 10 HG LEU 10 7.977 -2.127 1.354
57 HD11 LEU 10 1HD1 LEU 10 8.474 -4.076 2.736
58 HD12 LEU 10 2HD1 LEU 10 6.858 -4.710 2.435
59 HD13 LEU 10 3HD1 LEU 10 7.063 -3.210 3.339
60 HD21 LEU 10 3HD2 LEU 10 7.939 -3.236 -0.821
61 HD22 LEU 10 1HD2 LEU 10 7.390 -4.727 -0.057
62 HD23 LEU 10 2HD2 LEU 10 8.991 -4.085 0.311
63 H ASN 11 H ASN 11 5.199 0.233 0.247
64 HA ASN 11 HA ASN 11 7.485 1.641 1.430
65 HB2 ASN 11 2HB ASN 11 6.136 1.915 -1.256
66 HB3 ASN 11 1HB ASN 11 7.445 2.956 -0.710
67 HD21 ASN 11 2HD2 ASN 11 8.567 -0.029 -2.760
68 HD22 ASN 11 1HD2 ASN 11 7.216 1.037 -2.939
69 H ASN 12 H ASN 12 4.138 1.819 1.291
70 HA ASN 12 HA ASN 12 2.570 3.336 1.903
71 HB2 ASN 12 2HB ASN 12 4.959 4.218 3.442
72 HB3 ASN 12 1HB ASN 12 3.595 5.324 3.364
73 HD21 ASN 12 2HD2 ASN 12 2.529 1.714 4.892
74 HD22 ASN 12 1HD2 ASN 12 3.255 1.844 3.331
75 HA PRO 13 HA PRO 13 3.979 6.571 -1.230
76 HB2 PRO 13 2HB PRO 13 3.083 5.579 -3.541
77 HB3 PRO 13 1HB PRO 13 4.642 5.082 -2.886
78 HG2 PRO 13 2HG PRO 13 2.020 3.658 -2.771
79 HG3 PRO 13 1HG PRO 13 3.625 3.009 -3.154
80 HD2 PRO 13 2HD PRO 13 2.457 2.812 -0.687
81 HD3 PRO 13 1HD PRO 13 4.212 2.832 -0.947
82 H ASN 14 H ASN 14 1.210 4.815 -0.393
83 HA ASN 14 HA ASN 14 -0.551 7.044 -0.861
84 HB2 ASN 14 2HB ASN 14 -0.652 5.971 -3.041
85 HB3 ASN 14 1HB ASN 14 -0.943 4.404 -2.295
86 HD21 ASN 14 2HD2 ASN 14 -4.300 4.961 -2.967
87 HD22 ASN 14 1HD2 ASN 14 -2.863 4.066 -3.330
88 H GLN 15 H GLN 15 -0.989 3.527 -0.485
89 HA GLN 15 HA GLN 15 -2.237 2.310 0.977
90 HB2 GLN 15 2HB GLN 15 -0.351 3.714 2.418
91 HB3 GLN 15 1HB GLN 15 -1.839 4.107 3.271
92 HG2 GLN 15 2HG GLN 15 -0.813 1.336 2.696
93 HG3 GLN 15 1HG GLN 15 -0.674 2.185 4.233
94 HE21 GLN 15 2HE2 GLN 15 -4.155 0.433 3.111
95 HE22 GLN 15 1HE2 GLN 15 -2.861 0.683 1.979
96 H CYS 16 H CYS 16 -3.961 2.891 3.048
97 HA CYS 16 HA CYS 16 -5.704 4.994 1.998
98 HB2 CYS 16 2HB CYS 16 -7.636 3.549 2.651
99 HB3 CYS 16 1HB CYS 16 -6.683 2.909 1.327
Start of MODEL 11
1 H1 GLY 1 1HT GLY 1 -5.542 -2.477 -6.141
2 H2 GLY 1 2HT GLY 1 -7.147 -2.073 -6.487
3 H3 GLY 1 3HT GLY 1 -6.776 -2.937 -5.084
4 HA2 GLY 1 1HA GLY 1 -5.919 -0.161 -5.653
5 HA3 GLY 1 2HA GLY 1 -7.248 -0.611 -4.595
6 H CYS 2 H CYS 2 -5.186 0.921 -3.613
7 HA CYS 2 HA CYS 2 -3.301 -0.907 -2.354
8 HB2 CYS 2 2HB CYS 2 -3.375 2.110 -2.250
9 HB3 CYS 2 1HB CYS 2 -2.084 1.071 -1.643
10 H CYS 3 H CYS 3 -6.227 -0.571 -1.625
11 HA CYS 3 HA CYS 3 -5.821 -0.043 1.240
12 HB2 CYS 3 2HB CYS 3 -7.642 1.183 -0.135
13 HB3 CYS 3 1HB CYS 3 -8.498 -0.352 -0.117
14 H SER 4 H SER 4 -5.678 -2.475 -0.871
15 HA SER 4 HA SER 4 -6.793 -4.460 1.000
16 HB2 SER 4 2HB SER 4 -6.395 -4.760 -1.987
17 HB3 SER 4 1HB SER 4 -7.156 -5.928 -0.908
18 HG SER 4 HG SER 4 -8.933 -4.781 -0.890
19 H ASN 5 H ASN 5 -4.171 -3.163 0.919
20 HA ASN 5 HA ASN 5 -1.970 -3.511 0.986
21 HB2 ASN 5 2HB ASN 5 -2.289 -4.871 2.848
22 HB3 ASN 5 1HB ASN 5 -2.956 -6.196 1.891
23 HD21 ASN 5 2HD2 ASN 5 1.104 -5.648 2.102
24 HD22 ASN 5 1HD2 ASN 5 0.010 -4.373 2.503
25 HA PRO 6 HA PRO 6 -0.380 -5.357 -2.658
26 HB2 PRO 6 2HB PRO 6 -0.171 -3.163 -4.215
27 HB3 PRO 6 1HB PRO 6 -1.633 -4.147 -4.198
28 HG2 PRO 6 2HG PRO 6 -1.203 -1.457 -3.151
29 HG3 PRO 6 1HG PRO 6 -2.720 -2.308 -3.478
30 HD2 PRO 6 2HD PRO 6 -1.299 -1.986 -0.944
31 HD3 PRO 6 1HD PRO 6 -2.945 -2.583 -1.233
32 H ALA 7 H ALA 7 1.590 -3.554 -3.834
33 HA ALA 7 HA ALA 7 3.500 -3.510 -1.717
34 HB1 ALA 7 1HB ALA 7 5.040 -2.624 -3.347
35 HB2 ALA 7 2HB ALA 7 3.711 -2.284 -4.455
36 HB3 ALA 7 3HB ALA 7 4.111 -3.950 -4.041
37 H CYS 8 H CYS 8 1.081 -1.322 -2.602
38 HA CYS 8 HA CYS 8 2.228 1.163 -2.076
39 HB2 CYS 8 2HB CYS 8 -0.506 0.009 -1.903
40 HB3 CYS 8 1HB CYS 8 -0.216 1.572 -1.163
41 H ILE 9 H ILE 9 1.252 -1.369 0.092
42 HA ILE 9 HA ILE 9 1.326 0.323 2.428
43 HB ILE 9 HB ILE 9 1.601 -2.633 2.683
44 HG12 ILE 9 2HG1 ILE 9 -0.016 -2.466 0.882
45 HG13 ILE 9 1HG1 ILE 9 -0.829 -2.932 2.371
46 HG21 ILE 9 1HG2 ILE 9 0.035 -2.257 4.539
47 HG22 ILE 9 2HG2 ILE 9 -0.034 -0.548 4.117
48 HG23 ILE 9 3HG2 ILE 9 1.482 -1.261 4.669
49 HD11 ILE 9 3HD1 ILE 9 -1.630 -0.665 2.658
50 HD12 ILE 9 1HD1 ILE 9 -2.127 -1.323 1.100
51 HD13 ILE 9 2HD1 ILE 9 -0.793 -0.172 1.186
52 H LEU 10 H LEU 10 3.438 -1.905 0.763
53 HA LEU 10 HA LEU 10 5.376 -2.249 2.762
54 HB2 LEU 10 2HB LEU 10 5.103 -3.650 0.721
55 HB3 LEU 10 1HB LEU 10 5.769 -2.336 -0.228
56 HG LEU 10 HG LEU 10 7.897 -2.535 0.992
57 HD11 LEU 10 1HD1 LEU 10 8.263 -4.493 2.439
58 HD12 LEU 10 2HD1 LEU 10 6.542 -4.865 2.344
59 HD13 LEU 10 3HD1 LEU 10 7.081 -3.371 3.111
60 HD21 LEU 10 3HD2 LEU 10 6.909 -5.129 -0.189
61 HD22 LEU 10 1HD2 LEU 10 8.597 -4.664 0.021
62 HD23 LEU 10 2HD2 LEU 10 7.568 -3.765 -1.092
63 H ASN 11 H ASN 11 5.124 0.120 0.146
64 HA ASN 11 HA ASN 11 7.554 1.437 1.129
65 HB2 ASN 11 2HB ASN 11 5.983 1.867 -1.422
66 HB3 ASN 11 1HB ASN 11 7.452 2.738 -0.982
67 HD21 ASN 11 2HD2 ASN 11 7.614 -0.994 -2.516
68 HD22 ASN 11 1HD2 ASN 11 6.118 -0.217 -2.142
69 H ASN 12 H ASN 12 4.225 1.639 1.209
70 HA ASN 12 HA ASN 12 2.692 3.074 2.007
71 HB2 ASN 12 2HB ASN 12 5.075 4.269 3.417
72 HB3 ASN 12 1HB ASN 12 3.395 4.619 3.799
73 HD21 ASN 12 2HD2 ASN 12 2.834 1.609 5.509
74 HD22 ASN 12 1HD2 ASN 12 2.094 2.934 4.680
75 HA PRO 13 HA PRO 13 3.884 6.739 -0.754
76 HB2 PRO 13 2HB PRO 13 2.552 5.455 -3.002
77 HB3 PRO 13 1HB PRO 13 4.173 6.135 -2.923
78 HG2 PRO 13 2HG PRO 13 3.716 3.482 -3.153
79 HG3 PRO 13 1HG PRO 13 5.125 4.140 -2.299
80 HD2 PRO 13 2HD PRO 13 2.540 3.111 -1.181
81 HD3 PRO 13 1HD PRO 13 4.202 2.826 -0.618
82 H ASN 14 H ASN 14 1.118 4.626 -1.458
83 HA ASN 14 HA ASN 14 -0.690 6.908 -1.145
84 HB2 ASN 14 2HB ASN 14 -0.854 5.626 -3.243
85 HB3 ASN 14 1HB ASN 14 -1.187 4.162 -2.325
86 HD21 ASN 14 2HD2 ASN 14 -4.534 4.858 -2.992
87 HD22 ASN 14 1HD2 ASN 14 -3.158 3.875 -3.350
88 H GLN 15 H GLN 15 -0.849 3.416 -0.409
89 HA GLN 15 HA GLN 15 -1.832 2.245 1.250
90 HB2 GLN 15 2HB GLN 15 -0.099 4.026 2.434
91 HB3 GLN 15 1HB GLN 15 -1.592 4.306 3.326
92 HG2 GLN 15 2HG GLN 15 -0.330 1.602 2.922
93 HG3 GLN 15 1HG GLN 15 -0.064 2.618 4.335
94 HE21 GLN 15 2HE2 GLN 15 -3.545 0.573 3.842
95 HE22 GLN 15 1HE2 GLN 15 -2.447 0.816 2.525
96 H CYS 16 H CYS 16 -3.391 3.138 3.482
97 HA CYS 16 HA CYS 16 -5.623 4.606 2.456
98 HB2 CYS 16 2HB CYS 16 -5.843 2.512 1.186
99 HB3 CYS 16 1HB CYS 16 -5.798 1.590 2.681
Start of MODEL 12
1 H1 GLY 1 1HT GLY 1 -6.775 0.566 -7.092
2 H2 GLY 1 2HT GLY 1 -5.351 -0.347 -7.065
3 H3 GLY 1 3HT GLY 1 -5.341 1.250 -6.517
4 HA2 GLY 1 1HA GLY 1 -6.768 0.689 -4.680
5 HA3 GLY 1 2HA GLY 1 -6.851 -0.968 -5.261
6 H CYS 2 H CYS 2 -5.476 0.904 -2.998
7 HA CYS 2 HA CYS 2 -3.287 -0.988 -2.603
8 HB2 CYS 2 2HB CYS 2 -2.972 2.003 -2.807
9 HB3 CYS 2 1HB CYS 2 -1.819 1.002 -1.935
10 H CYS 3 H CYS 3 -5.830 -0.676 -1.322
11 HA CYS 3 HA CYS 3 -5.226 0.626 1.211
12 HB2 CYS 3 2HB CYS 3 -7.426 0.988 0.110
13 HB3 CYS 3 1HB CYS 3 -7.785 -0.721 0.338
14 H SER 4 H SER 4 -5.919 -2.616 -0.051
15 HA SER 4 HA SER 4 -5.815 -3.771 2.587
16 HB2 SER 4 2HB SER 4 -7.285 -4.716 0.833
17 HB3 SER 4 1HB SER 4 -5.860 -5.154 -0.107
18 HG SER 4 HG SER 4 -6.504 -6.100 2.496
19 H ASN 5 H ASN 5 -4.012 -5.085 -0.171
20 HA ASN 5 HA ASN 5 -1.479 -4.147 0.587
21 HB2 ASN 5 2HB ASN 5 -1.682 -5.566 2.544
22 HB3 ASN 5 1HB ASN 5 -2.089 -6.956 1.540
23 HD21 ASN 5 2HD2 ASN 5 1.768 -5.855 2.129
24 HD22 ASN 5 1HD2 ASN 5 0.439 -4.921 2.736
25 HA PRO 6 HA PRO 6 -1.041 -6.200 -3.401
26 HB2 PRO 6 2HB PRO 6 -0.601 -3.903 -4.840
27 HB3 PRO 6 1HB PRO 6 -2.173 -4.682 -4.672
28 HG2 PRO 6 2HG PRO 6 -1.268 -2.161 -3.568
29 HG3 PRO 6 1HG PRO 6 -2.899 -2.841 -3.598
30 HD2 PRO 6 2HD PRO 6 -0.972 -2.781 -1.418
31 HD3 PRO 6 1HD PRO 6 -2.690 -3.214 -1.381
32 H ALA 7 H ALA 7 0.679 -3.126 -3.493
33 HA ALA 7 HA ALA 7 3.029 -4.286 -2.211
34 HB1 ALA 7 1HB ALA 7 3.311 -4.740 -4.600
35 HB2 ALA 7 2HB ALA 7 4.521 -3.613 -3.995
36 HB3 ALA 7 3HB ALA 7 3.157 -3.018 -4.941
37 H CYS 8 H CYS 8 0.924 -1.759 -2.668
38 HA CYS 8 HA CYS 8 2.594 0.491 -2.391
39 HB2 CYS 8 2HB CYS 8 -0.315 -0.033 -1.922
40 HB3 CYS 8 1HB CYS 8 0.391 1.516 -1.492
41 H ILE 9 H ILE 9 0.917 -1.516 -0.005
42 HA ILE 9 HA ILE 9 1.135 0.169 2.200
43 HB ILE 9 HB ILE 9 1.521 -2.778 2.596
44 HG12 ILE 9 2HG1 ILE 9 -0.136 -2.638 0.797
45 HG13 ILE 9 1HG1 ILE 9 -0.884 -3.164 2.300
46 HG21 ILE 9 1HG2 ILE 9 -0.067 -2.342 4.449
47 HG22 ILE 9 2HG2 ILE 9 -0.086 -0.642 3.985
48 HG23 ILE 9 3HG2 ILE 9 1.411 -1.387 4.549
49 HD11 ILE 9 3HD1 ILE 9 -1.746 -0.911 2.654
50 HD12 ILE 9 1HD1 ILE 9 -2.296 -1.593 1.123
51 HD13 ILE 9 2HD1 ILE 9 -1.003 -0.393 1.141
52 H LEU 10 H LEU 10 3.339 -2.422 1.149
53 HA LEU 10 HA LEU 10 5.343 -1.662 3.090
54 HB2 LEU 10 2HB LEU 10 4.796 -4.008 1.947
55 HB3 LEU 10 1HB LEU 10 5.967 -3.438 0.775
56 HG LEU 10 HG LEU 10 6.509 -3.737 3.734
57 HD11 LEU 10 1HD1 LEU 10 7.835 -5.687 3.090
58 HD12 LEU 10 2HD1 LEU 10 7.287 -5.505 1.423
59 HD13 LEU 10 3HD1 LEU 10 6.129 -5.897 2.694
60 HD21 LEU 10 3HD2 LEU 10 8.381 -3.210 1.429
61 HD22 LEU 10 1HD2 LEU 10 8.849 -3.456 3.111
62 HD23 LEU 10 2HD2 LEU 10 7.903 -2.038 2.657
63 H ASN 11 H ASN 11 5.253 0.579 2.263
64 HA ASN 11 HA ASN 11 7.474 1.470 0.944
65 HB2 ASN 11 2HB ASN 11 6.570 0.289 -1.076
66 HB3 ASN 11 1HB ASN 11 5.152 1.329 -1.006
67 HD21 ASN 11 2HD2 ASN 11 6.852 3.290 -3.336
68 HD22 ASN 11 1HD2 ASN 11 5.575 2.157 -3.052
69 H ASN 12 H ASN 12 4.016 1.860 1.332
70 HA ASN 12 HA ASN 12 2.687 3.593 1.947
71 HB2 ASN 12 2HB ASN 12 5.264 4.235 3.311
72 HB3 ASN 12 1HB ASN 12 3.999 5.454 3.305
73 HD21 ASN 12 2HD2 ASN 12 2.746 1.982 5.027
74 HD22 ASN 12 1HD2 ASN 12 3.343 1.996 3.406
75 HA PRO 13 HA PRO 13 3.967 6.643 -1.255
76 HB2 PRO 13 2HB PRO 13 3.165 5.553 -3.538
77 HB3 PRO 13 1HB PRO 13 4.684 5.048 -2.794
78 HG2 PRO 13 2HG PRO 13 2.091 3.624 -2.934
79 HG3 PRO 13 1HG PRO 13 3.733 2.967 -2.860
80 HD2 PRO 13 2HD PRO 13 1.887 3.316 -0.705
81 HD3 PRO 13 1HD PRO 13 3.556 2.722 -0.619
82 H ASN 14 H ASN 14 1.218 5.177 -0.117
83 HA ASN 14 HA ASN 14 -0.609 7.203 -0.880
84 HB2 ASN 14 2HB ASN 14 -0.579 6.147 -3.052
85 HB3 ASN 14 1HB ASN 14 -0.770 4.553 -2.335
86 HD21 ASN 14 2HD2 ASN 14 -4.130 4.825 -3.159
87 HD22 ASN 14 1HD2 ASN 14 -2.608 4.055 -3.447
88 H GLN 15 H GLN 15 -0.968 3.671 -0.494
89 HA GLN 15 HA GLN 15 -2.302 2.436 0.864
90 HB2 GLN 15 2HB GLN 15 -0.513 3.840 2.428
91 HB3 GLN 15 1HB GLN 15 -2.052 4.190 3.209
92 HG2 GLN 15 2HG GLN 15 -1.001 1.436 2.597
93 HG3 GLN 15 1HG GLN 15 -0.866 2.247 4.155
94 HE21 GLN 15 2HE2 GLN 15 -4.374 0.605 2.942
95 HE22 GLN 15 1HE2 GLN 15 -3.070 0.874 1.827
96 H CYS 16 H CYS 16 -4.067 3.249 3.009
97 HA CYS 16 HA CYS 16 -5.837 5.119 1.613
98 HB2 CYS 16 2HB CYS 16 -7.753 3.680 2.380
99 HB3 CYS 16 1HB CYS 16 -6.753 2.983 1.119
Start of MODEL 13
1 H1 GLY 1 1HT GLY 1 -6.600 2.665 -5.232
2 H2 GLY 1 2HT GLY 1 -6.982 1.739 -6.595
3 H3 GLY 1 3HT GLY 1 -5.367 2.083 -6.233
4 HA2 GLY 1 1HA GLY 1 -7.187 0.416 -4.591
5 HA3 GLY 1 2HA GLY 1 -5.907 -0.191 -5.634
6 H CYS 2 H CYS 2 -4.867 -1.179 -3.897
7 HA CYS 2 HA CYS 2 -3.233 -1.352 -2.358
8 HB2 CYS 2 2HB CYS 2 -2.809 1.522 -3.136
9 HB3 CYS 2 1HB CYS 2 -1.733 0.645 -2.053
10 H CYS 3 H CYS 3 -5.908 -0.738 -1.485
11 HA CYS 3 HA CYS 3 -5.497 0.871 0.887
12 HB2 CYS 3 2HB CYS 3 -7.654 0.979 -0.316
13 HB3 CYS 3 1HB CYS 3 -7.919 -0.725 0.030
14 H SER 4 H SER 4 -5.881 -2.536 -0.006
15 HA SER 4 HA SER 4 -5.699 -3.313 2.791
16 HB2 SER 4 2HB SER 4 -7.319 -4.510 1.401
17 HB3 SER 4 1HB SER 4 -6.032 -5.021 0.314
18 HG SER 4 HG SER 4 -6.766 -6.530 2.055
19 H ASN 5 H ASN 5 -4.139 -5.028 0.098
20 HA ASN 5 HA ASN 5 -1.512 -4.169 0.710
21 HB2 ASN 5 2HB ASN 5 -1.871 -5.531 2.734
22 HB3 ASN 5 1HB ASN 5 -2.214 -6.931 1.722
23 HD21 ASN 5 2HD2 ASN 5 1.597 -5.702 2.391
24 HD22 ASN 5 1HD2 ASN 5 0.226 -4.773 2.903
25 HA PRO 6 HA PRO 6 -1.215 -6.449 -3.159
26 HB2 PRO 6 2HB PRO 6 -0.705 -4.285 -4.746
27 HB3 PRO 6 1HB PRO 6 -2.327 -4.915 -4.452
28 HG2 PRO 6 2HG PRO 6 -1.149 -2.425 -3.541
29 HG3 PRO 6 1HG PRO 6 -2.834 -2.955 -3.470
30 HD2 PRO 6 2HD PRO 6 -0.802 -2.976 -1.373
31 HD3 PRO 6 1HD PRO 6 -2.555 -3.214 -1.239
32 H ALA 7 H ALA 7 0.626 -3.434 -3.262
33 HA ALA 7 HA ALA 7 2.961 -4.690 -2.083
34 HB1 ALA 7 1HB ALA 7 3.069 -3.502 -4.849
35 HB2 ALA 7 2HB ALA 7 3.165 -5.218 -4.459
36 HB3 ALA 7 3HB ALA 7 4.434 -4.120 -3.922
37 H CYS 8 H CYS 8 1.096 -1.956 -2.940
38 HA CYS 8 HA CYS 8 2.820 0.173 -2.604
39 HB2 CYS 8 2HB CYS 8 -0.090 -0.117 -1.883
40 HB3 CYS 8 1HB CYS 8 0.767 1.413 -1.852
41 H ILE 9 H ILE 9 0.960 -1.526 -0.102
42 HA ILE 9 HA ILE 9 1.415 0.214 2.028
43 HB ILE 9 HB ILE 9 1.375 -2.706 2.629
44 HG12 ILE 9 2HG1 ILE 9 -0.098 -2.559 0.688
45 HG13 ILE 9 1HG1 ILE 9 -1.024 -2.863 2.153
46 HG21 ILE 9 1HG2 ILE 9 -0.254 -1.968 4.316
47 HG22 ILE 9 2HG2 ILE 9 -0.129 -0.322 3.696
48 HG23 ILE 9 3HG2 ILE 9 1.274 -1.098 4.431
49 HD11 ILE 9 3HD1 ILE 9 -1.679 -0.519 2.228
50 HD12 ILE 9 1HD1 ILE 9 -2.141 -1.270 0.701
51 HD13 ILE 9 2HD1 ILE 9 -0.736 -0.207 0.771
52 H LEU 10 H LEU 10 3.456 -2.277 0.679
53 HA LEU 10 HA LEU 10 5.337 -2.592 2.714
54 HB2 LEU 10 2HB LEU 10 5.137 -3.880 0.545
55 HB3 LEU 10 1HB LEU 10 5.925 -2.538 -0.249
56 HG LEU 10 HG LEU 10 7.370 -4.545 0.284
57 HD11 LEU 10 1HD1 LEU 10 8.348 -2.392 -0.274
58 HD12 LEU 10 2HD1 LEU 10 9.302 -3.218 0.958
59 HD13 LEU 10 3HD1 LEU 10 8.235 -1.890 1.413
60 HD21 LEU 10 3HD2 LEU 10 6.479 -5.008 2.509
61 HD22 LEU 10 1HD2 LEU 10 7.137 -3.481 3.093
62 HD23 LEU 10 2HD2 LEU 10 8.224 -4.759 2.549
63 H ASN 11 H ASN 11 5.162 -0.183 0.139
64 HA ASN 11 HA ASN 11 7.503 1.220 1.179
65 HB2 ASN 11 2HB ASN 11 7.425 0.891 -1.212
66 HB3 ASN 11 1HB ASN 11 5.821 1.600 -1.304
67 HD21 ASN 11 2HD2 ASN 11 7.432 4.474 -2.371
68 HD22 ASN 11 1HD2 ASN 11 6.424 3.125 -2.768
69 H ASN 12 H ASN 12 4.084 1.435 0.988
70 HA ASN 12 HA ASN 12 2.511 2.732 1.944
71 HB2 ASN 12 2HB ASN 12 4.793 3.980 3.484
72 HB3 ASN 12 1HB ASN 12 3.085 4.215 3.827
73 HD21 ASN 12 2HD2 ASN 12 2.669 1.156 5.465
74 HD22 ASN 12 1HD2 ASN 12 1.888 2.487 4.690
75 HA PRO 13 HA PRO 13 3.513 6.510 -0.608
76 HB2 PRO 13 2HB PRO 13 2.426 5.378 -3.009
77 HB3 PRO 13 1HB PRO 13 4.072 5.928 -2.719
78 HG2 PRO 13 2HG PRO 13 3.375 3.302 -3.137
79 HG3 PRO 13 1HG PRO 13 4.829 3.823 -2.271
80 HD2 PRO 13 2HD PRO 13 2.195 2.915 -1.173
81 HD3 PRO 13 1HD PRO 13 3.840 2.535 -0.616
82 H ASN 14 H ASN 14 0.947 4.388 -1.848
83 HA ASN 14 HA ASN 14 -1.031 6.341 -0.896
84 HB2 ASN 14 2HB ASN 14 -1.022 6.072 -3.346
85 HB3 ASN 14 1HB ASN 14 -1.289 4.344 -3.156
86 HD21 ASN 14 2HD2 ASN 14 -4.720 4.599 -2.564
87 HD22 ASN 14 1HD2 ASN 14 -3.307 3.596 -2.537
88 H GLN 15 H GLN 15 -0.773 5.225 1.180
89 HA GLN 15 HA GLN 15 -2.354 2.814 1.361
90 HB2 GLN 15 2HB GLN 15 -0.245 3.802 2.871
91 HB3 GLN 15 1HB GLN 15 -1.652 4.116 3.888
92 HG2 GLN 15 2HG GLN 15 -0.746 1.483 2.761
93 HG3 GLN 15 1HG GLN 15 -0.729 1.988 4.450
94 HE21 GLN 15 2HE2 GLN 15 -4.166 0.756 2.658
95 HE22 GLN 15 1HE2 GLN 15 -2.805 1.314 1.724
96 H CYS 16 H CYS 16 -4.402 2.779 2.317
97 HA CYS 16 HA CYS 16 -5.862 5.202 1.790
98 HB2 CYS 16 2HB CYS 16 -7.863 3.770 2.145
99 HB3 CYS 16 1HB CYS 16 -6.749 3.116 0.958
Start of MODEL 14
1 H1 GLY 1 1HT GLY 1 -8.037 -0.482 -6.139
2 H2 GLY 1 2HT GLY 1 -7.741 -0.365 -4.477
3 H3 GLY 1 3HT GLY 1 -7.490 -1.829 -5.279
4 HA2 GLY 1 1HA GLY 1 -5.711 -0.852 -6.576
5 HA3 GLY 1 2HA GLY 1 -5.964 0.667 -5.729
6 H CYS 2 H CYS 2 -5.093 0.963 -3.746
7 HA CYS 2 HA CYS 2 -3.569 -1.296 -2.623
8 HB2 CYS 2 2HB CYS 2 -2.698 1.587 -2.900
9 HB3 CYS 2 1HB CYS 2 -1.819 0.360 -1.996
10 H CYS 3 H CYS 3 -5.989 -1.021 -1.671
11 HA CYS 3 HA CYS 3 -5.792 0.637 0.752
12 HB2 CYS 3 2HB CYS 3 -7.674 1.025 -0.945
13 HB3 CYS 3 1HB CYS 3 -8.328 -0.515 -0.408
14 H SER 4 H SER 4 -5.546 -2.511 -0.319
15 HA SER 4 HA SER 4 -6.030 -3.462 2.423
16 HB2 SER 4 2HB SER 4 -7.436 -4.621 0.742
17 HB3 SER 4 1HB SER 4 -5.980 -5.125 -0.114
18 HG SER 4 HG SER 4 -6.031 -6.785 1.168
19 H ASN 5 H ASN 5 -4.175 -5.162 -0.042
20 HA ASN 5 HA ASN 5 -1.700 -3.940 0.468
21 HB2 ASN 5 2HB ASN 5 -1.935 -5.161 2.653
22 HB3 ASN 5 1HB ASN 5 -1.914 -6.671 1.748
23 HD21 ASN 5 2HD2 ASN 5 1.516 -5.718 2.976
24 HD22 ASN 5 1HD2 ASN 5 -0.034 -5.798 3.747
25 HA PRO 6 HA PRO 6 -1.142 -6.597 -3.123
26 HB2 PRO 6 2HB PRO 6 -0.427 -4.508 -4.778
27 HB3 PRO 6 1HB PRO 6 -2.040 -5.210 -4.689
28 HG2 PRO 6 2HG PRO 6 -1.155 -2.602 -3.812
29 HG3 PRO 6 1HG PRO 6 -2.799 -3.244 -3.905
30 HD2 PRO 6 2HD PRO 6 -1.079 -2.937 -1.583
31 HD3 PRO 6 1HD PRO 6 -2.800 -3.347 -1.652
32 H ALA 7 H ALA 7 0.703 -3.565 -3.071
33 HA ALA 7 HA ALA 7 2.846 -4.744 -1.548
34 HB1 ALA 7 1HB ALA 7 3.394 -3.803 -4.358
35 HB2 ALA 7 2HB ALA 7 3.392 -5.482 -3.820
36 HB3 ALA 7 3HB ALA 7 4.589 -4.354 -3.185
37 H CYS 8 H CYS 8 1.154 -2.084 -2.885
38 HA CYS 8 HA CYS 8 2.731 0.115 -2.584
39 HB2 CYS 8 2HB CYS 8 -0.161 -0.336 -1.957
40 HB3 CYS 8 1HB CYS 8 0.565 1.251 -1.776
41 H ILE 9 H ILE 9 1.027 -1.603 -0.024
42 HA ILE 9 HA ILE 9 1.214 0.231 2.038
43 HB ILE 9 HB ILE 9 1.574 -2.700 2.576
44 HG12 ILE 9 2HG1 ILE 9 -0.067 -2.574 0.799
45 HG13 ILE 9 1HG1 ILE 9 -0.857 -2.997 2.314
46 HG21 ILE 9 1HG2 ILE 9 1.520 -1.199 4.483
47 HG22 ILE 9 2HG2 ILE 9 0.078 -2.211 4.456
48 HG23 ILE 9 3HG2 ILE 9 -0.016 -0.530 3.934
49 HD11 ILE 9 3HD1 ILE 9 -0.845 -0.282 1.011
50 HD12 ILE 9 1HD1 ILE 9 -1.610 -0.673 2.551
51 HD13 ILE 9 2HD1 ILE 9 -2.195 -1.416 1.063
52 H LEU 10 H LEU 10 3.531 -2.182 0.979
53 HA LEU 10 HA LEU 10 5.368 -1.899 3.095
54 HB2 LEU 10 2HB LEU 10 5.222 -3.731 1.329
55 HB3 LEU 10 1HB LEU 10 6.068 -2.635 0.258
56 HG LEU 10 HG LEU 10 7.463 -4.417 1.403
57 HD11 LEU 10 1HD1 LEU 10 9.348 -2.908 1.834
58 HD12 LEU 10 2HD1 LEU 10 8.244 -1.535 1.768
59 HD13 LEU 10 3HD1 LEU 10 8.507 -2.526 0.333
60 HD21 LEU 10 3HD2 LEU 10 8.162 -4.024 3.681
61 HD22 LEU 10 1HD2 LEU 10 6.413 -4.225 3.617
62 HD23 LEU 10 2HD2 LEU 10 7.110 -2.615 3.792
63 H ASN 11 H ASN 11 5.120 -0.255 -0.035
64 HA ASN 11 HA ASN 11 7.490 1.313 0.367
65 HB2 ASN 11 2HB ASN 11 6.731 0.763 -1.892
66 HB3 ASN 11 1HB ASN 11 5.227 1.633 -1.619
67 HD21 ASN 11 2HD2 ASN 11 6.747 4.292 -3.269
68 HD22 ASN 11 1HD2 ASN 11 5.547 3.045 -3.304
69 H ASN 12 H ASN 12 4.098 1.692 0.966
70 HA ASN 12 HA ASN 12 2.861 3.170 2.157
71 HB2 ASN 12 2HB ASN 12 5.473 3.396 3.317
72 HB3 ASN 12 1HB ASN 12 4.717 4.981 3.283
73 HD21 ASN 12 2HD2 ASN 12 2.563 2.125 5.256
74 HD22 ASN 12 1HD2 ASN 12 3.198 1.807 3.678
75 HA PRO 13 HA PRO 13 3.862 6.623 -0.850
76 HB2 PRO 13 2HB PRO 13 2.505 5.948 -3.071
77 HB3 PRO 13 1HB PRO 13 4.134 5.343 -2.753
78 HG2 PRO 13 2HG PRO 13 1.518 3.956 -2.512
79 HG3 PRO 13 1HG PRO 13 3.100 3.303 -2.959
80 HD2 PRO 13 2HD PRO 13 1.880 3.135 -0.435
81 HD3 PRO 13 1HD PRO 13 3.575 2.774 -0.808
82 H ASN 14 H ASN 14 0.744 4.909 -0.987
83 HA ASN 14 HA ASN 14 -0.596 7.433 -0.302
84 HB2 ASN 14 2HB ASN 14 -2.594 6.561 -1.467
85 HB3 ASN 14 1HB ASN 14 -1.217 6.713 -2.546
86 HD21 ASN 14 2HD2 ASN 14 -3.077 3.456 -2.946
87 HD22 ASN 14 1HD2 ASN 14 -3.627 5.085 -2.755
88 H GLN 15 H GLN 15 -1.045 3.903 -0.076
89 HA GLN 15 HA GLN 15 -1.906 2.560 1.501
90 HB2 GLN 15 2HB GLN 15 0.046 3.885 2.727
91 HB3 GLN 15 1HB GLN 15 -1.298 4.500 3.680
92 HG2 GLN 15 2HG GLN 15 -0.510 1.619 3.314
93 HG3 GLN 15 1HG GLN 15 -0.341 2.589 4.775
94 HE21 GLN 15 2HE2 GLN 15 -3.926 0.967 3.731
95 HE22 GLN 15 1HE2 GLN 15 -2.598 1.033 2.620
96 H CYS 16 H CYS 16 -4.020 2.910 0.682
97 HA CYS 16 HA CYS 16 -5.797 4.805 1.847
98 HB2 CYS 16 2HB CYS 16 -6.406 4.003 -0.289
99 HB3 CYS 16 1HB CYS 16 -6.184 2.327 0.179
Start of MODEL 15
1 H1 GLY 1 1HT GLY 1 -7.625 -2.975 -3.196
2 H2 GLY 1 2HT GLY 1 -6.600 -3.793 -4.259
3 H3 GLY 1 3HT GLY 1 -7.974 -3.006 -4.848
4 HA2 GLY 1 1HA GLY 1 -5.987 -1.728 -5.329
5 HA3 GLY 1 2HA GLY 1 -7.074 -0.866 -4.249
6 H CYS 2 H CYS 2 -5.106 0.364 -3.700
7 HA CYS 2 HA CYS 2 -3.110 -1.093 -2.165
8 HB2 CYS 2 2HB CYS 2 -3.265 1.782 -3.060
9 HB3 CYS 2 1HB CYS 2 -2.007 1.170 -1.988
10 H CYS 3 H CYS 3 -5.999 -0.416 -1.261
11 HA CYS 3 HA CYS 3 -5.358 0.929 1.225
12 HB2 CYS 3 2HB CYS 3 -7.578 1.244 0.090
13 HB3 CYS 3 1HB CYS 3 -7.949 -0.435 0.468
14 H SER 4 H SER 4 -6.023 -2.314 0.022
15 HA SER 4 HA SER 4 -5.859 -3.472 2.653
16 HB2 SER 4 2HB SER 4 -7.312 -4.498 0.965
17 HB3 SER 4 1HB SER 4 -5.915 -4.810 -0.062
18 HG SER 4 HG SER 4 -6.301 -5.857 2.555
19 H ASN 5 H ASN 5 -4.065 -4.862 -0.049
20 HA ASN 5 HA ASN 5 -1.523 -3.886 0.687
21 HB2 ASN 5 2HB ASN 5 -1.804 -5.244 2.683
22 HB3 ASN 5 1HB ASN 5 -2.173 -6.663 1.703
23 HD21 ASN 5 2HD2 ASN 5 1.654 -5.467 2.305
24 HD22 ASN 5 1HD2 ASN 5 0.304 -4.514 2.822
25 HA PRO 6 HA PRO 6 -0.966 -6.091 -3.202
26 HB2 PRO 6 2HB PRO 6 -0.558 -3.884 -4.757
27 HB3 PRO 6 1HB PRO 6 -2.136 -4.637 -4.528
28 HG2 PRO 6 2HG PRO 6 -1.175 -2.075 -3.551
29 HG3 PRO 6 1HG PRO 6 -2.824 -2.715 -3.570
30 HD2 PRO 6 2HD PRO 6 -0.920 -2.608 -1.366
31 HD3 PRO 6 1HD PRO 6 -2.648 -3.006 -1.333
32 H ALA 7 H ALA 7 0.678 -2.985 -3.412
33 HA ALA 7 HA ALA 7 3.040 -4.055 -2.078
34 HB1 ALA 7 1HB ALA 7 3.367 -4.561 -4.444
35 HB2 ALA 7 2HB ALA 7 4.533 -3.374 -3.863
36 HB3 ALA 7 3HB ALA 7 3.158 -2.854 -4.838
37 H CYS 8 H CYS 8 0.929 -1.495 -2.769
38 HA CYS 8 HA CYS 8 2.527 0.746 -2.405
39 HB2 CYS 8 2HB CYS 8 -0.363 0.214 -1.767
40 HB3 CYS 8 1HB CYS 8 0.374 1.790 -1.536
41 H ILE 9 H ILE 9 0.856 -1.236 0.013
42 HA ILE 9 HA ILE 9 1.305 0.421 2.228
43 HB ILE 9 HB ILE 9 1.403 -2.510 2.705
44 HG12 ILE 9 2HG1 ILE 9 -0.122 -2.372 0.788
45 HG13 ILE 9 1HG1 ILE 9 -0.978 -2.811 2.261
46 HG21 ILE 9 1HG2 ILE 9 1.246 -0.937 4.548
47 HG22 ILE 9 2HG2 ILE 9 -0.210 -1.927 4.454
48 HG23 ILE 9 3HG2 ILE 9 -0.235 -0.264 3.869
49 HD11 ILE 9 3HD1 ILE 9 -2.260 -1.242 0.947
50 HD12 ILE 9 1HD1 ILE 9 -0.928 -0.089 0.989
51 HD13 ILE 9 2HD1 ILE 9 -1.772 -0.515 2.479
52 H LEU 10 H LEU 10 3.352 -1.873 0.612
53 HA LEU 10 HA LEU 10 5.236 -2.332 2.653
54 HB2 LEU 10 2HB LEU 10 4.959 -3.709 0.613
55 HB3 LEU 10 1HB LEU 10 5.636 -2.404 -0.337
56 HG LEU 10 HG LEU 10 7.769 -2.639 0.887
57 HD11 LEU 10 1HD1 LEU 10 6.416 -5.016 2.155
58 HD12 LEU 10 2HD1 LEU 10 6.923 -3.541 2.978
59 HD13 LEU 10 3HD1 LEU 10 8.130 -4.622 2.283
60 HD21 LEU 10 3HD2 LEU 10 8.443 -4.745 -0.148
61 HD22 LEU 10 1HD2 LEU 10 7.429 -3.794 -1.233
62 HD23 LEU 10 2HD2 LEU 10 6.750 -5.179 -0.378
63 H ASN 11 H ASN 11 4.914 0.247 0.300
64 HA ASN 11 HA ASN 11 7.454 1.395 1.262
65 HB2 ASN 11 2HB ASN 11 5.972 1.988 -1.308
66 HB3 ASN 11 1HB ASN 11 7.507 2.695 -0.822
67 HD21 ASN 11 2HD2 ASN 11 7.332 -1.005 -2.449
68 HD22 ASN 11 1HD2 ASN 11 5.904 -0.118 -2.040
69 H ASN 12 H ASN 12 4.126 1.702 1.206
70 HA ASN 12 HA ASN 12 2.612 3.130 2.041
71 HB2 ASN 12 2HB ASN 12 4.965 4.252 3.567
72 HB3 ASN 12 1HB ASN 12 3.270 4.551 3.937
73 HD21 ASN 12 2HD2 ASN 12 2.727 1.424 5.453
74 HD22 ASN 12 1HD2 ASN 12 1.984 2.788 4.688
75 HA PRO 13 HA PRO 13 3.932 6.858 -0.533
76 HB2 PRO 13 2HB PRO 13 2.758 5.728 -2.922
77 HB3 PRO 13 1HB PRO 13 4.407 6.273 -2.669
78 HG2 PRO 13 2HG PRO 13 3.742 3.664 -3.052
79 HG3 PRO 13 1HG PRO 13 5.155 4.180 -2.112
80 HD2 PRO 13 2HD PRO 13 2.446 3.330 -1.146
81 HD3 PRO 13 1HD PRO 13 4.052 2.893 -0.519
82 H ASN 14 H ASN 14 1.246 4.912 -1.768
83 HA ASN 14 HA ASN 14 -0.571 7.148 -1.463
84 HB2 ASN 14 2HB ASN 14 -0.676 5.888 -3.537
85 HB3 ASN 14 1HB ASN 14 -0.942 4.390 -2.654
86 HD21 ASN 14 2HD2 ASN 14 -4.309 4.877 -3.402
87 HD22 ASN 14 1HD2 ASN 14 -2.861 3.983 -3.726
88 H GLN 15 H GLN 15 -1.030 3.687 -0.768
89 HA GLN 15 HA GLN 15 -2.341 2.626 0.754
90 HB2 GLN 15 2HB GLN 15 -0.357 4.028 2.095
91 HB3 GLN 15 1HB GLN 15 -1.820 4.445 2.982
92 HG2 GLN 15 2HG GLN 15 -0.941 1.635 2.367
93 HG3 GLN 15 1HG GLN 15 -0.589 2.482 3.870
94 HE21 GLN 15 2HE2 GLN 15 -4.290 0.975 3.133
95 HE22 GLN 15 1HE2 GLN 15 -3.114 1.145 1.864
96 H CYS 16 H CYS 16 -3.965 3.400 2.853
97 HA CYS 16 HA CYS 16 -5.673 5.470 1.680
98 HB2 CYS 16 2HB CYS 16 -7.635 4.103 2.414
99 HB3 CYS 16 1HB CYS 16 -6.698 3.379 1.120
Start of MODEL 16
1 H1 GLY 1 1HT GLY 1 -4.340 1.411 -6.689
2 H2 GLY 1 2HT GLY 1 -5.717 0.865 -7.504
3 H3 GLY 1 3HT GLY 1 -4.480 -0.220 -7.113
4 HA2 GLY 1 1HA GLY 1 -6.178 1.215 -5.155
5 HA3 GLY 1 2HA GLY 1 -6.369 -0.469 -5.623
6 H CYS 2 H CYS 2 -5.450 1.178 -3.098
7 HA CYS 2 HA CYS 2 -3.366 -0.765 -2.419
8 HB2 CYS 2 2HB CYS 2 -3.155 2.124 -1.586
9 HB3 CYS 2 1HB CYS 2 -1.950 0.852 -1.411
10 H CYS 3 H CYS 3 -6.141 -0.789 -1.767
11 HA CYS 3 HA CYS 3 -6.028 -0.220 1.126
12 HB2 CYS 3 2HB CYS 3 -7.672 1.111 -0.358
13 HB3 CYS 3 1HB CYS 3 -8.589 -0.387 -0.454
14 H SER 4 H SER 4 -5.741 -2.657 -0.948
15 HA SER 4 HA SER 4 -6.906 -4.568 0.960
16 HB2 SER 4 2HB SER 4 -8.215 -4.469 -1.182
17 HB3 SER 4 1HB SER 4 -6.761 -4.975 -2.039
18 HG SER 4 HG SER 4 -7.197 -6.642 0.008
19 H ASN 5 H ASN 5 -4.318 -3.375 0.802
20 HA ASN 5 HA ASN 5 -2.126 -3.813 0.918
21 HB2 ASN 5 2HB ASN 5 -2.658 -5.332 2.658
22 HB3 ASN 5 1HB ASN 5 -3.165 -6.577 1.516
23 HD21 ASN 5 2HD2 ASN 5 0.792 -5.990 2.336
24 HD22 ASN 5 1HD2 ASN 5 -0.417 -4.869 2.861
25 HA PRO 6 HA PRO 6 -0.612 -5.477 -2.883
26 HB2 PRO 6 2HB PRO 6 -0.133 -3.145 -4.179
27 HB3 PRO 6 1HB PRO 6 -1.664 -4.005 -4.340
28 HG2 PRO 6 2HG PRO 6 -1.088 -1.488 -2.979
29 HG3 PRO 6 1HG PRO 6 -2.645 -2.168 -3.470
30 HD2 PRO 6 2HD PRO 6 -1.373 -2.211 -0.853
31 HD3 PRO 6 1HD PRO 6 -3.025 -2.685 -1.295
32 H ALA 7 H ALA 7 1.566 -3.739 -3.789
33 HA ALA 7 HA ALA 7 3.277 -3.925 -1.476
34 HB1 ALA 7 1HB ALA 7 4.101 -4.528 -3.685
35 HB2 ALA 7 2HB ALA 7 5.064 -3.243 -2.955
36 HB3 ALA 7 3HB ALA 7 3.894 -2.861 -4.221
37 H CYS 8 H CYS 8 1.091 -1.663 -2.456
38 HA CYS 8 HA CYS 8 2.309 0.808 -2.071
39 HB2 CYS 8 2HB CYS 8 -0.461 -0.182 -1.474
40 HB3 CYS 8 1HB CYS 8 0.002 1.500 -1.346
41 H ILE 9 H ILE 9 1.175 -1.545 0.202
42 HA ILE 9 HA ILE 9 1.256 0.130 2.508
43 HB ILE 9 HB ILE 9 1.659 -2.798 2.836
44 HG12 ILE 9 2HG1 ILE 9 0.166 -2.713 0.895
45 HG13 ILE 9 1HG1 ILE 9 -0.683 -3.298 2.320
46 HG21 ILE 9 1HG2 ILE 9 1.300 -1.295 4.737
47 HG22 ILE 9 2HG2 ILE 9 0.017 -2.496 4.597
48 HG23 ILE 9 3HG2 ILE 9 -0.268 -0.838 4.073
49 HD11 ILE 9 3HD1 ILE 9 -2.068 -1.782 1.039
50 HD12 ILE 9 1HD1 ILE 9 -0.847 -0.519 1.186
51 HD13 ILE 9 2HD1 ILE 9 -1.693 -1.100 2.620
52 H LEU 10 H LEU 10 3.581 -1.795 0.797
53 HA LEU 10 HA LEU 10 5.475 -1.994 2.923
54 HB2 LEU 10 2HB LEU 10 5.198 -3.449 0.786
55 HB3 LEU 10 1HB LEU 10 6.162 -2.215 0.007
56 HG LEU 10 HG LEU 10 7.438 -4.234 0.740
57 HD11 LEU 10 1HD1 LEU 10 9.321 -3.015 1.682
58 HD12 LEU 10 2HD1 LEU 10 8.269 -1.641 2.024
59 HD13 LEU 10 3HD1 LEU 10 8.580 -2.121 0.355
60 HD21 LEU 10 3HD2 LEU 10 7.941 -4.542 3.082
61 HD22 LEU 10 1HD2 LEU 10 6.200 -4.634 2.825
62 HD23 LEU 10 2HD2 LEU 10 6.915 -3.176 3.512
63 H ASN 11 H ASN 11 5.345 -0.001 -0.041
64 HA ASN 11 HA ASN 11 7.602 1.575 0.859
65 HB2 ASN 11 2HB ASN 11 5.808 1.902 -1.556
66 HB3 ASN 11 1HB ASN 11 7.236 2.875 -1.231
67 HD21 ASN 11 2HD2 ASN 11 7.929 -0.001 -3.553
68 HD22 ASN 11 1HD2 ASN 11 6.663 1.176 -3.495
69 H ASN 12 H ASN 12 4.216 1.671 1.044
70 HA ASN 12 HA ASN 12 2.678 3.076 1.891
71 HB2 ASN 12 2HB ASN 12 5.123 4.065 3.333
72 HB3 ASN 12 1HB ASN 12 3.542 4.782 3.609
73 HD21 ASN 12 2HD2 ASN 12 2.359 1.474 4.873
74 HD22 ASN 12 1HD2 ASN 12 1.947 2.464 3.526
75 HA PRO 13 HA PRO 13 3.812 6.738 -0.836
76 HB2 PRO 13 2HB PRO 13 3.045 6.002 -3.276
77 HB3 PRO 13 1HB PRO 13 4.616 5.515 -2.643
78 HG2 PRO 13 2HG PRO 13 2.091 3.931 -2.822
79 HG3 PRO 13 1HG PRO 13 3.751 3.438 -3.204
80 HD2 PRO 13 2HD PRO 13 2.472 2.884 -0.829
81 HD3 PRO 13 1HD PRO 13 4.231 2.959 -1.027
82 H ASN 14 H ASN 14 1.145 4.642 -0.413
83 HA ASN 14 HA ASN 14 -0.760 6.816 -0.809
84 HB2 ASN 14 2HB ASN 14 -0.666 5.592 -2.951
85 HB3 ASN 14 1HB ASN 14 -1.033 4.094 -2.104
86 HD21 ASN 14 2HD2 ASN 14 -4.326 4.686 -3.044
87 HD22 ASN 14 1HD2 ASN 14 -2.891 3.745 -3.274
88 H GLN 15 H GLN 15 -0.744 3.301 -0.194
89 HA GLN 15 HA GLN 15 -1.810 2.017 1.334
90 HB2 GLN 15 2HB GLN 15 -0.238 3.820 2.684
91 HB3 GLN 15 1HB GLN 15 -1.796 4.032 3.477
92 HG2 GLN 15 2HG GLN 15 -0.383 1.397 3.118
93 HG3 GLN 15 1HG GLN 15 -0.315 2.384 4.576
94 HE21 GLN 15 2HE2 GLN 15 -3.612 0.180 3.683
95 HE22 GLN 15 1HE2 GLN 15 -2.390 0.500 2.498
96 H CYS 16 H CYS 16 -3.540 2.823 3.508
97 HA CYS 16 HA CYS 16 -5.715 4.349 2.490
98 HB2 CYS 16 2HB CYS 16 -5.939 2.349 1.061
99 HB3 CYS 16 1HB CYS 16 -5.982 1.331 2.492
Start of MODEL 17
1 H1 GLY 1 1HT GLY 1 -7.123 1.495 -6.638
2 H2 GLY 1 2HT GLY 1 -5.500 1.812 -6.291
3 H3 GLY 1 3HT GLY 1 -6.716 2.505 -5.345
4 HA2 GLY 1 1HA GLY 1 -7.383 0.332 -4.554
5 HA3 GLY 1 2HA GLY 1 -6.116 -0.390 -5.533
6 H CYS 2 H CYS 2 -4.864 -1.233 -3.952
7 HA CYS 2 HA CYS 2 -3.298 -1.341 -2.333
8 HB2 CYS 2 2HB CYS 2 -2.953 1.546 -3.117
9 HB3 CYS 2 1HB CYS 2 -1.854 0.690 -2.040
10 H CYS 3 H CYS 3 -6.011 -0.806 -1.507
11 HA CYS 3 HA CYS 3 -5.657 0.925 0.806
12 HB2 CYS 3 2HB CYS 3 -7.736 1.195 -0.456
13 HB3 CYS 3 1HB CYS 3 -8.134 -0.496 -0.192
14 H SER 4 H SER 4 -6.201 -2.460 0.010
15 HA SER 4 HA SER 4 -6.133 -3.196 2.813
16 HB2 SER 4 2HB SER 4 -7.637 -4.417 1.286
17 HB3 SER 4 1HB SER 4 -6.247 -4.949 0.343
18 HG SER 4 HG SER 4 -6.450 -6.600 1.669
19 H ASN 5 H ASN 5 -4.380 -4.854 0.205
20 HA ASN 5 HA ASN 5 -1.825 -3.897 0.870
21 HB2 ASN 5 2HB ASN 5 -2.047 -5.063 2.959
22 HB3 ASN 5 1HB ASN 5 -2.563 -6.538 2.142
23 HD21 ASN 5 2HD2 ASN 5 1.368 -5.527 2.358
24 HD22 ASN 5 1HD2 ASN 5 0.121 -4.408 2.785
25 HA PRO 6 HA PRO 6 -1.316 -6.384 -2.849
26 HB2 PRO 6 2HB PRO 6 -0.822 -4.295 -4.537
27 HB3 PRO 6 1HB PRO 6 -2.428 -4.960 -4.247
28 HG2 PRO 6 2HG PRO 6 -1.366 -2.383 -3.457
29 HG3 PRO 6 1HG PRO 6 -3.029 -2.977 -3.373
30 HD2 PRO 6 2HD PRO 6 -1.012 -2.814 -1.260
31 HD3 PRO 6 1HD PRO 6 -2.761 -3.078 -1.129
32 H ALA 7 H ALA 7 0.477 -3.376 -3.254
33 HA ALA 7 HA ALA 7 2.891 -4.548 -2.107
34 HB1 ALA 7 1HB ALA 7 4.227 -4.070 -4.071
35 HB2 ALA 7 2HB ALA 7 2.796 -3.494 -4.925
36 HB3 ALA 7 3HB ALA 7 2.925 -5.191 -4.460
37 H CYS 8 H CYS 8 1.036 -1.789 -3.075
38 HA CYS 8 HA CYS 8 2.776 0.334 -2.794
39 HB2 CYS 8 2HB CYS 8 -0.104 0.063 -1.932
40 HB3 CYS 8 1HB CYS 8 0.761 1.587 -1.932
41 H ILE 9 H ILE 9 1.025 -1.367 -0.235
42 HA ILE 9 HA ILE 9 1.419 0.375 1.876
43 HB ILE 9 HB ILE 9 1.585 -2.550 2.449
44 HG12 ILE 9 2HG1 ILE 9 0.029 -2.462 0.575
45 HG13 ILE 9 1HG1 ILE 9 -0.822 -2.823 2.072
46 HG21 ILE 9 1HG2 ILE 9 0.044 -1.960 4.233
47 HG22 ILE 9 2HG2 ILE 9 -0.058 -0.313 3.618
48 HG23 ILE 9 3HG2 ILE 9 1.467 -0.920 4.260
49 HD11 ILE 9 3HD1 ILE 9 -2.088 -1.279 0.707
50 HD12 ILE 9 1HD1 ILE 9 -0.730 -0.154 0.688
51 HD13 ILE 9 2HD1 ILE 9 -1.568 -0.501 2.200
52 H LEU 10 H LEU 10 3.567 -2.070 0.587
53 HA LEU 10 HA LEU 10 5.430 -2.283 2.635
54 HB2 LEU 10 2HB LEU 10 5.377 -3.729 0.667
55 HB3 LEU 10 1HB LEU 10 5.884 -2.393 -0.346
56 HG LEU 10 HG LEU 10 8.043 -2.320 0.856
57 HD11 LEU 10 1HD1 LEU 10 6.987 -4.777 2.250
58 HD12 LEU 10 2HD1 LEU 10 7.335 -3.217 2.996
59 HD13 LEU 10 3HD1 LEU 10 8.647 -4.189 2.329
60 HD21 LEU 10 3HD2 LEU 10 8.948 -4.389 -0.095
61 HD22 LEU 10 1HD2 LEU 10 7.838 -3.593 -1.208
62 HD23 LEU 10 2HD2 LEU 10 7.312 -5.009 -0.300
63 H ASN 11 H ASN 11 5.084 0.228 0.194
64 HA ASN 11 HA ASN 11 7.519 1.530 1.200
65 HB2 ASN 11 2HB ASN 11 5.876 2.076 -1.282
66 HB3 ASN 11 1HB ASN 11 7.283 3.018 -0.792
67 HD21 ASN 11 2HD2 ASN 11 8.193 0.379 -3.281
68 HD22 ASN 11 1HD2 ASN 11 6.965 1.600 -3.230
69 H ASN 12 H ASN 12 4.216 1.579 1.515
70 HA ASN 12 HA ASN 12 2.630 2.985 2.313
71 HB2 ASN 12 2HB ASN 12 5.017 4.114 3.784
72 HB3 ASN 12 1HB ASN 12 3.346 4.512 4.155
73 HD21 ASN 12 2HD2 ASN 12 2.653 1.487 5.794
74 HD22 ASN 12 1HD2 ASN 12 1.973 2.852 4.977
75 HA PRO 13 HA PRO 13 3.762 6.686 -0.275
76 HB2 PRO 13 2HB PRO 13 3.028 5.946 -2.758
77 HB3 PRO 13 1HB PRO 13 4.614 5.548 -2.097
78 HG2 PRO 13 2HG PRO 13 2.287 3.801 -2.576
79 HG3 PRO 13 1HG PRO 13 4.001 3.378 -2.482
80 HD2 PRO 13 2HD PRO 13 2.005 3.118 -0.446
81 HD3 PRO 13 1HD PRO 13 3.732 2.728 -0.337
82 H ASN 14 H ASN 14 1.073 4.695 -1.473
83 HA ASN 14 HA ASN 14 -0.768 6.938 -1.210
84 HB2 ASN 14 2HB ASN 14 -0.831 5.683 -3.309
85 HB3 ASN 14 1HB ASN 14 -1.102 4.183 -2.431
86 HD21 ASN 14 2HD2 ASN 14 -4.469 4.642 -3.149
87 HD22 ASN 14 1HD2 ASN 14 -3.028 3.731 -3.429
88 H GLN 15 H GLN 15 -0.973 3.448 -0.517
89 HA GLN 15 HA GLN 15 -2.076 2.264 1.042
90 HB2 GLN 15 2HB GLN 15 -0.322 3.937 2.347
91 HB3 GLN 15 1HB GLN 15 -1.834 4.226 3.205
92 HG2 GLN 15 2HG GLN 15 -0.646 1.507 2.708
93 HG3 GLN 15 1HG GLN 15 -0.399 2.442 4.178
94 HE21 GLN 15 2HE2 GLN 15 -3.921 0.525 3.479
95 HE22 GLN 15 1HE2 GLN 15 -2.779 0.797 2.204
96 H CYS 16 H CYS 16 -3.571 3.557 3.351
97 HA CYS 16 HA CYS 16 -5.799 4.852 2.167
98 HB2 CYS 16 2HB CYS 16 -5.970 2.731 0.993
99 HB3 CYS 16 1HB CYS 16 -5.910 1.851 2.511
Start of MODEL 18
1 H1 GLY 1 1HT GLY 1 -7.288 -2.402 -5.737
2 H2 GLY 1 2HT GLY 1 -7.182 -2.634 -4.067
3 H3 GLY 1 3HT GLY 1 -5.934 -3.163 -5.073
4 HA2 GLY 1 1HA GLY 1 -5.376 -0.913 -5.669
5 HA3 GLY 1 2HA GLY 1 -6.711 -0.329 -4.685
6 H CYS 2 H CYS 2 -4.848 0.919 -3.711
7 HA CYS 2 HA CYS 2 -3.038 -0.662 -2.082
8 HB2 CYS 2 2HB CYS 2 -3.255 2.333 -2.416
9 HB3 CYS 2 1HB CYS 2 -2.010 1.494 -1.497
10 H CYS 3 H CYS 3 -6.077 -0.167 -1.582
11 HA CYS 3 HA CYS 3 -5.862 0.638 1.226
12 HB2 CYS 3 2HB CYS 3 -7.841 1.114 -0.556
13 HB3 CYS 3 1HB CYS 3 -8.426 -0.400 0.118
14 H SER 4 H SER 4 -5.777 -2.011 -0.819
15 HA SER 4 HA SER 4 -5.920 -3.923 1.397
16 HB2 SER 4 2HB SER 4 -7.111 -4.425 -0.775
17 HB3 SER 4 1HB SER 4 -5.541 -4.432 -1.574
18 HG SER 4 HG SER 4 -6.270 -6.134 0.584
19 H ASN 5 H ASN 5 -3.941 -5.735 0.459
20 HA ASN 5 HA ASN 5 -1.557 -4.025 0.735
21 HB2 ASN 5 2HB ASN 5 -1.849 -5.408 2.696
22 HB3 ASN 5 1HB ASN 5 -1.978 -6.858 1.706
23 HD21 ASN 5 2HD2 ASN 5 1.644 -5.270 2.636
24 HD22 ASN 5 1HD2 ASN 5 0.162 -4.458 3.016
25 HA PRO 6 HA PRO 6 -0.360 -6.095 -3.107
26 HB2 PRO 6 2HB PRO 6 -0.122 -3.598 -4.441
27 HB3 PRO 6 1HB PRO 6 -1.335 -4.843 -4.726
28 HG2 PRO 6 2HG PRO 6 -1.856 -2.318 -3.692
29 HG3 PRO 6 1HG PRO 6 -2.919 -3.725 -3.535
30 HD2 PRO 6 2HD PRO 6 -0.949 -2.615 -1.570
31 HD3 PRO 6 1HD PRO 6 -2.577 -3.275 -1.289
32 H ALA 7 H ALA 7 0.793 -2.731 -2.827
33 HA ALA 7 HA ALA 7 3.271 -3.626 -1.603
34 HB1 ALA 7 1HB ALA 7 3.294 -2.213 -4.258
35 HB2 ALA 7 2HB ALA 7 3.678 -3.913 -3.990
36 HB3 ALA 7 3HB ALA 7 4.703 -2.657 -3.295
37 H CYS 8 H CYS 8 0.953 -1.170 -2.232
38 HA CYS 8 HA CYS 8 2.405 1.136 -1.638
39 HB2 CYS 8 2HB CYS 8 -0.468 0.362 -1.459
40 HB3 CYS 8 1HB CYS 8 0.055 1.888 -0.772
41 H ILE 9 H ILE 9 1.014 -1.258 0.463
42 HA ILE 9 HA ILE 9 1.262 0.232 2.880
43 HB ILE 9 HB ILE 9 1.434 -2.737 2.966
44 HG12 ILE 9 2HG1 ILE 9 -0.105 -2.333 1.104
45 HG13 ILE 9 1HG1 ILE 9 -0.955 -2.987 2.501
46 HG21 ILE 9 1HG2 ILE 9 -0.152 -2.428 4.805
47 HG22 ILE 9 2HG2 ILE 9 -0.217 -0.702 4.458
48 HG23 ILE 9 3HG2 ILE 9 1.287 -1.432 5.015
49 HD11 ILE 9 3HD1 ILE 9 -1.738 -0.730 3.059
50 HD12 ILE 9 1HD1 ILE 9 -2.257 -1.245 1.454
51 HD13 ILE 9 2HD1 ILE 9 -0.919 -0.109 1.626
52 H LEU 10 H LEU 10 3.413 -1.592 0.931
53 HA LEU 10 HA LEU 10 5.382 -1.992 3.009
54 HB2 LEU 10 2HB LEU 10 5.341 -2.559 0.058
55 HB3 LEU 10 1HB LEU 10 6.802 -2.741 1.005
56 HG LEU 10 HG LEU 10 5.564 -4.389 2.451
57 HD11 LEU 10 1HD1 LEU 10 3.536 -5.402 1.576
58 HD12 LEU 10 2HD1 LEU 10 3.514 -4.246 0.247
59 HD13 LEU 10 3HD1 LEU 10 3.283 -3.688 1.904
60 HD21 LEU 10 3HD2 LEU 10 5.827 -5.037 -0.481
61 HD22 LEU 10 1HD2 LEU 10 5.735 -6.215 0.829
62 HD23 LEU 10 2HD2 LEU 10 7.110 -5.117 0.725
63 H ASN 11 H ASN 11 5.144 -0.023 0.047
64 HA ASN 11 HA ASN 11 7.648 1.306 0.691
65 HB2 ASN 11 2HB ASN 11 5.757 1.746 -1.630
66 HB3 ASN 11 1HB ASN 11 7.359 2.455 -1.464
67 HD21 ASN 11 2HD2 ASN 11 7.329 -0.669 -3.580
68 HD22 ASN 11 1HD2 ASN 11 6.290 0.713 -3.536
69 H ASN 12 H ASN 12 4.364 1.763 1.206
70 HA ASN 12 HA ASN 12 3.071 3.348 2.143
71 HB2 ASN 12 2HB ASN 12 5.724 4.342 3.184
72 HB3 ASN 12 1HB ASN 12 4.160 4.892 3.762
73 HD21 ASN 12 2HD2 ASN 12 3.594 1.368 4.986
74 HD22 ASN 12 1HD2 ASN 12 2.879 2.299 3.722
75 HA PRO 13 HA PRO 13 4.054 6.835 -0.806
76 HB2 PRO 13 2HB PRO 13 2.567 5.733 -2.978
77 HB3 PRO 13 1HB PRO 13 4.299 6.037 -2.911
78 HG2 PRO 13 2HG PRO 13 3.121 3.534 -3.043
79 HG3 PRO 13 1HG PRO 13 4.774 3.856 -2.496
80 HD2 PRO 13 2HD PRO 13 2.304 3.364 -0.892
81 HD3 PRO 13 1HD PRO 13 3.979 2.857 -0.577
82 H ASN 14 H ASN 14 1.164 4.931 -1.539
83 HA ASN 14 HA ASN 14 -0.530 7.236 -1.000
84 HB2 ASN 14 2HB ASN 14 -0.950 6.081 -3.079
85 HB3 ASN 14 1HB ASN 14 -1.080 4.536 -2.249
86 HD21 ASN 14 2HD2 ASN 14 -4.514 5.026 -2.544
87 HD22 ASN 14 1HD2 ASN 14 -3.114 4.187 -3.121
88 H GLN 15 H GLN 15 -0.889 3.765 -0.351
89 HA GLN 15 HA GLN 15 -1.697 2.584 1.389
90 HB2 GLN 15 2HB GLN 15 0.360 3.978 2.374
91 HB3 GLN 15 1HB GLN 15 -0.918 4.665 3.367
92 HG2 GLN 15 2HG GLN 15 -0.166 1.760 3.150
93 HG3 GLN 15 1HG GLN 15 0.107 2.828 4.525
94 HE21 GLN 15 2HE2 GLN 15 -3.540 1.151 3.838
95 HE22 GLN 15 1HE2 GLN 15 -2.301 1.162 2.632
96 H CYS 16 H CYS 16 -3.875 2.759 0.889
97 HA CYS 16 HA CYS 16 -5.473 4.911 1.930
98 HB2 CYS 16 2HB CYS 16 -6.285 3.960 -0.071
99 HB3 CYS 16 1HB CYS 16 -6.102 2.323 0.526
Start of MODEL 19
1 H1 GLY 1 1HT GLY 1 -6.905 0.509 -6.684
2 H2 GLY 1 2HT GLY 1 -5.347 -0.139 -6.655
3 H3 GLY 1 3HT GLY 1 -5.715 1.211 -5.711
4 HA2 GLY 1 1HA GLY 1 -7.272 -0.115 -4.403
5 HA3 GLY 1 2HA GLY 1 -6.826 -1.516 -5.367
6 H CYS 2 H CYS 2 -5.484 0.965 -3.215
7 HA CYS 2 HA CYS 2 -3.413 -0.984 -2.453
8 HB2 CYS 2 2HB CYS 2 -3.287 2.032 -2.436
9 HB3 CYS 2 1HB CYS 2 -2.058 0.977 -1.744
10 H CYS 3 H CYS 3 -6.170 -0.566 -1.334
11 HA CYS 3 HA CYS 3 -5.582 0.529 1.290
12 HB2 CYS 3 2HB CYS 3 -7.771 0.929 0.076
13 HB3 CYS 3 1HB CYS 3 -8.169 -0.752 0.414
14 H SER 4 H SER 4 -6.266 -2.598 -0.207
15 HA SER 4 HA SER 4 -6.293 -4.004 2.281
16 HB2 SER 4 2HB SER 4 -7.459 -4.864 0.273
17 HB3 SER 4 1HB SER 4 -5.902 -5.101 -0.514
18 HG SER 4 HG SER 4 -6.895 -6.402 1.800
19 H ASN 5 H ASN 5 -4.086 -4.922 -0.334
20 HA ASN 5 HA ASN 5 -1.768 -3.854 0.785
21 HB2 ASN 5 2HB ASN 5 -1.840 -5.336 2.608
22 HB3 ASN 5 1HB ASN 5 -2.294 -6.705 1.591
23 HD21 ASN 5 2HD2 ASN 5 1.616 -5.547 1.908
24 HD22 ASN 5 1HD2 ASN 5 0.329 -4.532 2.464
25 HA PRO 6 HA PRO 6 -0.126 -5.442 -2.965
26 HB2 PRO 6 2HB PRO 6 -0.064 -3.170 -4.398
27 HB3 PRO 6 1HB PRO 6 -1.507 -4.182 -4.364
28 HG2 PRO 6 2HG PRO 6 -1.051 -1.551 -3.148
29 HG3 PRO 6 1HG PRO 6 -2.575 -2.375 -3.511
30 HD2 PRO 6 2HD PRO 6 -1.131 -2.234 -0.986
31 HD3 PRO 6 1HD PRO 6 -2.757 -2.870 -1.302
32 H ALA 7 H ALA 7 1.743 -3.471 -4.048
33 HA ALA 7 HA ALA 7 3.697 -3.507 -1.978
34 HB1 ALA 7 1HB ALA 7 4.290 -3.692 -4.337
35 HB2 ALA 7 2HB ALA 7 5.137 -2.360 -3.550
36 HB3 ALA 7 3HB ALA 7 3.758 -2.031 -4.600
37 H CYS 8 H CYS 8 1.162 -1.367 -2.672
38 HA CYS 8 HA CYS 8 2.235 1.113 -2.003
39 HB2 CYS 8 2HB CYS 8 -0.504 -0.072 -1.884
40 HB3 CYS 8 1HB CYS 8 -0.209 1.528 -1.237
41 H ILE 9 H ILE 9 1.152 -1.489 0.078
42 HA ILE 9 HA ILE 9 1.221 0.156 2.455
43 HB ILE 9 HB ILE 9 1.460 -2.807 2.689
44 HG12 ILE 9 2HG1 ILE 9 -0.129 -2.550 0.839
45 HG13 ILE 9 1HG1 ILE 9 -0.920 -3.145 2.295
46 HG21 ILE 9 1HG2 ILE 9 -0.128 -2.432 4.522
47 HG22 ILE 9 2HG2 ILE 9 -0.201 -0.723 4.098
48 HG23 ILE 9 3HG2 ILE 9 1.311 -1.426 4.674
49 HD11 ILE 9 3HD1 ILE 9 -1.012 -0.337 1.235
50 HD12 ILE 9 1HD1 ILE 9 -1.755 -0.882 2.738
51 HD13 ILE 9 2HD1 ILE 9 -2.312 -1.527 1.194
52 H LEU 10 H LEU 10 3.344 -2.033 0.758
53 HA LEU 10 HA LEU 10 5.252 -2.427 2.801
54 HB2 LEU 10 2HB LEU 10 4.887 -3.776 0.668
55 HB3 LEU 10 1HB LEU 10 5.776 -2.524 -0.167
56 HG LEU 10 HG LEU 10 7.077 -4.603 0.414
57 HD11 LEU 10 1HD1 LEU 10 9.091 -3.419 1.077
58 HD12 LEU 10 2HD1 LEU 10 8.127 -2.019 1.547
59 HD13 LEU 10 3HD1 LEU 10 8.199 -2.512 -0.144
60 HD21 LEU 10 3HD2 LEU 10 7.875 -4.879 2.682
61 HD22 LEU 10 1HD2 LEU 10 6.115 -4.958 2.639
62 HD23 LEU 10 2HD2 LEU 10 6.917 -3.496 3.211
63 H ASN 11 H ASN 11 5.091 -0.123 0.105
64 HA ASN 11 HA ASN 11 7.529 1.166 1.113
65 HB2 ASN 11 2HB ASN 11 6.068 1.534 -1.513
66 HB3 ASN 11 1HB ASN 11 7.580 2.326 -1.066
67 HD21 ASN 11 2HD2 ASN 11 7.526 -1.503 -2.380
68 HD22 ASN 11 1HD2 ASN 11 6.075 -0.605 -2.099
69 H ASN 12 H ASN 12 4.236 1.445 1.188
70 HA ASN 12 HA ASN 12 2.710 2.966 1.815
71 HB2 ASN 12 2HB ASN 12 5.025 4.315 3.202
72 HB3 ASN 12 1HB ASN 12 3.318 4.517 3.575
73 HD21 ASN 12 2HD2 ASN 12 3.024 1.462 5.310
74 HD22 ASN 12 1HD2 ASN 12 2.165 2.661 4.410
75 HA PRO 13 HA PRO 13 4.073 6.384 -1.180
76 HB2 PRO 13 2HB PRO 13 2.864 5.536 -3.445
77 HB3 PRO 13 1HB PRO 13 4.522 5.112 -3.045
78 HG2 PRO 13 2HG PRO 13 2.040 3.496 -2.711
79 HG3 PRO 13 1HG PRO 13 3.628 2.993 -3.322
80 HD2 PRO 13 2HD PRO 13 2.814 2.504 -0.783
81 HD3 PRO 13 1HD PRO 13 4.514 2.782 -1.211
82 H ASN 14 H ASN 14 1.156 4.410 -1.055
83 HA ASN 14 HA ASN 14 -0.461 6.855 -1.231
84 HB2 ASN 14 2HB ASN 14 -0.509 5.532 -3.333
85 HB3 ASN 14 1HB ASN 14 -1.116 4.151 -2.430
86 HD21 ASN 14 2HD2 ASN 14 -4.418 5.215 -2.439
87 HD22 ASN 14 1HD2 ASN 14 -3.254 4.040 -1.938
88 H GLN 15 H GLN 15 -1.143 3.416 -0.633
89 HA GLN 15 HA GLN 15 -2.550 2.399 0.843
90 HB2 GLN 15 2HB GLN 15 -0.544 3.714 2.271
91 HB3 GLN 15 1HB GLN 15 -2.025 4.103 3.138
92 HG2 GLN 15 2HG GLN 15 -1.151 1.317 2.417
93 HG3 GLN 15 1HG GLN 15 -0.835 2.090 3.966
94 HE21 GLN 15 2HE2 GLN 15 -4.519 0.628 3.074
95 HE22 GLN 15 1HE2 GLN 15 -3.311 0.835 1.843
96 H CYS 16 H CYS 16 -4.309 2.930 2.693
97 HA CYS 16 HA CYS 16 -5.924 5.124 1.600
98 HB2 CYS 16 2HB CYS 16 -7.896 3.792 2.438
99 HB3 CYS 16 1HB CYS 16 -7.012 3.061 1.109
Start of MODEL 20
1 H1 GLY 1 1HT GLY 1 -4.764 0.349 -6.058
2 H2 GLY 1 2HT GLY 1 -5.912 1.123 -5.087
3 H3 GLY 1 3HT GLY 1 -6.369 0.460 -6.570
4 HA2 GLY 1 1HA GLY 1 -7.076 -0.927 -4.711
5 HA3 GLY 1 2HA GLY 1 -5.970 -1.752 -5.800
6 H CYS 2 H CYS 2 -4.656 0.689 -3.714
7 HA CYS 2 HA CYS 2 -2.888 -1.315 -2.678
8 HB2 CYS 2 2HB CYS 2 -2.997 1.639 -2.082
9 HB3 CYS 2 1HB CYS 2 -1.707 0.538 -1.607
10 H CYS 3 H CYS 3 -5.822 0.039 -1.578
11 HA CYS 3 HA CYS 3 -5.312 -0.050 1.219
12 HB2 CYS 3 2HB CYS 3 -7.153 1.246 0.056
13 HB3 CYS 3 1HB CYS 3 -8.008 -0.281 -0.121
14 H SER 4 H SER 4 -5.674 -2.470 -1.053
15 HA SER 4 HA SER 4 -6.684 -4.410 0.896
16 HB2 SER 4 2HB SER 4 -7.777 -4.320 -1.332
17 HB3 SER 4 1HB SER 4 -6.237 -4.726 -2.084
18 HG SER 4 HG SER 4 -7.978 -6.432 -1.423
19 H ASN 5 H ASN 5 -3.904 -3.101 0.371
20 HA ASN 5 HA ASN 5 -1.705 -3.602 0.461
21 HB2 ASN 5 2HB ASN 5 -2.281 -4.552 2.615
22 HB3 ASN 5 1HB ASN 5 -2.743 -6.077 1.861
23 HD21 ASN 5 2HD2 ASN 5 1.163 -5.184 2.550
24 HD22 ASN 5 1HD2 ASN 5 -0.084 -4.004 2.736
25 HA PRO 6 HA PRO 6 -1.365 -6.456 -3.083
26 HB2 PRO 6 2HB PRO 6 -0.616 -4.385 -4.836
27 HB3 PRO 6 1HB PRO 6 -2.181 -5.191 -4.780
28 HG2 PRO 6 2HG PRO 6 -1.640 -2.505 -4.125
29 HG3 PRO 6 1HG PRO 6 -3.149 -3.383 -3.843
30 HD2 PRO 6 2HD PRO 6 -0.944 -2.753 -1.955
31 HD3 PRO 6 1HD PRO 6 -2.677 -2.975 -1.637
32 H ALA 7 H ALA 7 0.614 -3.530 -3.396
33 HA ALA 7 HA ALA 7 2.830 -4.683 -1.978
34 HB1 ALA 7 1HB ALA 7 4.411 -4.592 -3.828
35 HB2 ALA 7 2HB ALA 7 3.110 -4.143 -4.930
36 HB3 ALA 7 3HB ALA 7 3.109 -5.731 -4.162
37 H CYS 8 H CYS 8 1.064 -2.342 -1.909
38 HA CYS 8 HA CYS 8 2.819 -0.114 -2.606
39 HB2 CYS 8 2HB CYS 8 0.024 -0.115 -1.459
40 HB3 CYS 8 1HB CYS 8 0.881 1.272 -2.106
41 H ILE 9 H ILE 9 1.025 -1.339 0.170
42 HA ILE 9 HA ILE 9 1.602 0.548 2.082
43 HB ILE 9 HB ILE 9 1.588 -2.343 2.872
44 HG12 ILE 9 2HG1 ILE 9 -0.041 -2.208 1.087
45 HG13 ILE 9 1HG1 ILE 9 -0.868 -2.368 2.634
46 HG21 ILE 9 1HG2 ILE 9 0.259 0.114 4.008
47 HG22 ILE 9 2HG2 ILE 9 1.727 -0.647 4.616
48 HG23 ILE 9 3HG2 ILE 9 0.190 -1.508 4.699
49 HD11 ILE 9 3HD1 ILE 9 -1.368 0.001 2.634
50 HD12 ILE 9 1HD1 ILE 9 -1.968 -0.761 1.163
51 HD13 ILE 9 2HD1 ILE 9 -0.492 0.203 1.117
52 H LEU 10 H LEU 10 3.583 -2.168 1.062
53 HA LEU 10 HA LEU 10 5.526 -2.176 3.043
54 HB2 LEU 10 2HB LEU 10 5.352 -3.813 1.192
55 HB3 LEU 10 1HB LEU 10 5.965 -2.599 0.086
56 HG LEU 10 HG LEU 10 8.088 -2.546 1.373
57 HD11 LEU 10 1HD1 LEU 10 6.850 -4.858 2.861
58 HD12 LEU 10 2HD1 LEU 10 7.258 -3.280 3.532
59 HD13 LEU 10 3HD1 LEU 10 8.536 -4.356 2.970
60 HD21 LEU 10 3HD2 LEU 10 7.262 -5.261 0.355
61 HD22 LEU 10 1HD2 LEU 10 8.919 -4.699 0.572
62 HD23 LEU 10 2HD2 LEU 10 7.875 -3.929 -0.623
63 H ASN 11 H ASN 11 5.177 -0.027 0.292
64 HA ASN 11 HA ASN 11 7.613 1.437 1.003
65 HB2 ASN 11 2HB ASN 11 7.308 0.909 -1.355
66 HB3 ASN 11 1HB ASN 11 5.720 1.664 -1.350
67 HD21 ASN 11 2HD2 ASN 11 7.265 4.439 -2.717
68 HD22 ASN 11 1HD2 ASN 11 6.166 3.116 -2.919
69 H ASN 12 H ASN 12 4.191 1.591 1.128
70 HA ASN 12 HA ASN 12 2.673 2.997 2.038
71 HB2 ASN 12 2HB ASN 12 5.093 4.288 3.311
72 HB3 ASN 12 1HB ASN 12 3.430 4.695 3.706
73 HD21 ASN 12 2HD2 ASN 12 2.861 1.825 5.650
74 HD22 ASN 12 1HD2 ASN 12 2.129 3.108 4.746
75 HA PRO 13 HA PRO 13 3.882 6.282 -1.147
76 HB2 PRO 13 2HB PRO 13 1.937 5.070 -2.948
77 HB3 PRO 13 1HB PRO 13 3.648 5.395 -3.226
78 HG2 PRO 13 2HG PRO 13 2.662 2.888 -2.982
79 HG3 PRO 13 1HG PRO 13 4.300 3.329 -2.464
80 HD2 PRO 13 2HD PRO 13 1.817 2.999 -0.815
81 HD3 PRO 13 1HD PRO 13 3.474 2.441 -0.482
82 H ASN 14 H ASN 14 0.678 4.771 -1.157
83 HA ASN 14 HA ASN 14 -0.489 7.386 -0.542
84 HB2 ASN 14 2HB ASN 14 -2.592 6.479 -1.528
85 HB3 ASN 14 1HB ASN 14 -1.267 6.582 -2.677
86 HD21 ASN 14 2HD2 ASN 14 -3.124 3.347 -2.967
87 HD22 ASN 14 1HD2 ASN 14 -3.631 4.998 -2.869
88 H GLN 15 H GLN 15 -1.522 4.000 -0.116
89 HA GLN 15 HA GLN 15 -2.404 2.862 1.617
90 HB2 GLN 15 2HB GLN 15 -0.185 4.060 2.646
91 HB3 GLN 15 1HB GLN 15 -1.427 4.649 3.746
92 HG2 GLN 15 2HG GLN 15 -0.675 1.800 3.156
93 HG3 GLN 15 1HG GLN 15 -0.483 2.676 4.671
94 HE21 GLN 15 2HE2 GLN 15 -4.006 0.920 3.686
95 HE22 GLN 15 1HE2 GLN 15 -2.712 1.071 2.547
96 H CYS 16 H CYS 16 -4.364 2.787 2.542
97 HA CYS 16 HA CYS 16 -5.965 5.192 2.420
98 HB2 CYS 16 2HB CYS 16 -7.846 3.591 2.910
99 HB3 CYS 16 1HB CYS 16 -6.940 3.237 1.449