Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
601715 | 2n07 RC | 25516 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HN GLY 1 3.360 -3.997 -2.579
2 HA2 GLY 1 HA2 GLY 1 2.876 -4.567 -5.184
3 HA3 GLY 1 HA1 GLY 1 1.259 -4.416 -4.509
4 H HIS 2 HN HIS 2 0.425 -2.519 -4.935
5 HA HIS 2 HA HIS 2 2.048 -0.205 -5.504
6 HB2 HIS 2 HB2 HIS 2 -0.049 -0.747 -6.737
7 HB3 HIS 2 HB1 HIS 2 -0.964 -0.480 -5.262
8 HD1 HIS 2 HD1 HIS 2 1.697 1.733 -6.880
9 HD2 HIS 2 HD2 HIS 2 -2.296 1.808 -5.738
10 HE1 HIS 2 HE1 HIS 2 0.902 4.071 -7.352
11 HE2 HIS 2 HE2 HIS 2 -1.412 4.162 -6.349
12 H CYS 3 HN CYS 3 2.427 -1.194 -2.897
13 HA CYS 3 HA CYS 3 0.935 0.233 -0.952
14 HB2 CYS 3 HB2 CYS 3 3.673 -1.011 -0.685
15 HB3 CYS 3 HB1 CYS 3 2.571 -0.599 0.629
16 H SER 4 HN SER 4 3.142 1.375 -3.143
17 HA SER 4 HA SER 4 4.488 3.288 -1.482
18 HB2 SER 4 HB2 SER 4 4.914 4.294 -3.894
19 HB3 SER 4 HB1 SER 4 5.739 2.822 -3.379
20 HG SER 4 HG SER 4 4.888 2.339 -5.334
21 H ASP 5 HN ASP 5 1.446 2.949 -2.820
22 HA ASP 5 HA ASP 5 0.788 5.749 -3.126
23 HB2 ASP 5 HB2 ASP 5 -0.136 3.834 -4.518
24 HB3 ASP 5 HB1 ASP 5 -1.057 3.359 -3.100
25 HA PRO 6 HA PRO 6 -0.269 6.247 1.199
26 HB2 PRO 6 HB2 PRO 6 -1.735 8.534 0.917
27 HB3 PRO 6 HB1 PRO 6 0.032 8.509 0.918
28 HG2 PRO 6 HG2 PRO 6 -1.860 8.551 -1.413
29 HG3 PRO 6 HG1 PRO 6 -0.393 9.523 -1.147
30 HD2 PRO 6 HD2 PRO 6 -0.350 7.376 -2.739
31 HD3 PRO 6 HD1 PRO 6 1.023 7.748 -1.675
32 H ARG 7 HN ARG 7 -2.653 6.478 -1.388
33 HA ARG 7 HA ARG 7 -4.919 6.088 0.318
34 HB2 ARG 7 HB2 ARG 7 -4.439 6.301 -2.602
35 HB3 ARG 7 HB1 ARG 7 -5.888 5.449 -2.096
36 HG2 ARG 7 HG2 ARG 7 -5.149 8.255 -1.304
37 HG3 ARG 7 HG1 ARG 7 -6.309 7.805 -2.554
38 HD2 ARG 7 HD2 ARG 7 -6.499 7.355 0.413
39 HD3 ARG 7 HD1 ARG 7 -7.587 8.282 -0.619
40 HE ARG 7 HE ARG 7 -7.556 5.614 -1.496
41 HH11 ARG 7 HH11 ARG 7 -8.713 7.551 1.176
42 HH12 ARG 7 HH12 ARG 7 -9.965 6.439 1.617
43 HH21 ARG 7 HH21 ARG 7 -9.223 4.113 -0.912
44 HH22 ARG 7 HH22 ARG 7 -10.250 4.487 0.432
45 H PHE 8 HN PHE 8 -3.135 4.036 -1.952
46 HA PHE 8 HA PHE 8 -4.708 1.767 -1.796
47 HB2 PHE 8 HB2 PHE 8 -2.750 2.142 -3.338
48 HB3 PHE 8 HB1 PHE 8 -1.701 1.677 -2.001
49 HD1 PHE 8 HD2 PHE 8 -4.822 0.382 -3.595
50 HD2 PHE 8 HD1 PHE 8 -0.941 -0.484 -2.082
51 HE1 PHE 8 HE2 PHE 8 -5.117 -1.984 -4.202
52 HE2 PHE 8 HE1 PHE 8 -1.229 -2.850 -2.687
53 HZ PHE 8 HZ PHE 8 -3.318 -3.603 -3.748
54 H ASN 9 HN ASN 9 -2.145 2.767 0.442
55 HA ASN 9 HA ASN 9 -2.037 0.377 1.930
56 HB2 ASN 9 HB2 ASN 9 -1.376 3.232 2.623
57 HB3 ASN 9 HB1 ASN 9 -1.230 1.943 3.813
58 HD21 ASN 9 HD21 ASN 9 0.407 3.689 1.588
59 HD22 ASN 9 HD22 ASN 9 1.707 2.600 1.250
60 H TYR 10 HN TYR 10 -4.047 3.249 2.250
61 HA TYR 10 HA TYR 10 -5.386 2.320 4.614
62 HB2 TYR 10 HB2 TYR 10 -5.143 4.723 4.166
63 HB3 TYR 10 HB1 TYR 10 -6.072 4.550 2.682
64 HD1 TYR 10 HD1 TYR 10 -6.582 3.426 6.220
65 HD2 TYR 10 HD2 TYR 10 -8.146 5.514 2.860
66 HE1 TYR 10 HE1 TYR 10 -8.667 3.840 7.456
67 HE2 TYR 10 HE2 TYR 10 -10.235 5.936 4.087
68 HH TYR 10 HH TYR 10 -10.860 4.467 7.204
69 H ASP 11 HN ASP 11 -6.038 2.444 1.178
70 HA ASP 11 HA ASP 11 -8.719 1.581 1.200
71 HB2 ASP 11 HB2 ASP 11 -7.279 2.639 -0.699
72 HB3 ASP 11 HB1 ASP 11 -6.810 0.979 -1.045
73 H HIS 12 HN HIS 12 -5.653 -0.142 0.957
74 HA HIS 12 HA HIS 12 -7.070 -2.630 1.561
75 HB2 HIS 12 HB2 HIS 12 -5.286 -2.097 -0.782
76 HB3 HIS 12 HB1 HIS 12 -5.384 -3.721 -0.097
77 HD1 HIS 12 HD1 HIS 12 -7.987 -4.576 0.185
78 HD2 HIS 12 HD2 HIS 12 -7.204 -1.609 -2.620
79 HE1 HIS 12 HE1 HIS 12 -9.980 -4.558 -1.360
80 HE2 HIS 12 HE2 HIS 12 -9.599 -2.546 -2.837
81 HA PRO 13 HA PRO 13 -3.387 -2.039 4.295
82 HB2 PRO 13 HB2 PRO 13 -4.684 -2.781 6.568
83 HB3 PRO 13 HB1 PRO 13 -4.670 -1.122 5.964
84 HG2 PRO 13 HG2 PRO 13 -6.784 -3.222 5.695
85 HG3 PRO 13 HG1 PRO 13 -6.961 -1.493 6.050
86 HD2 PRO 13 HD2 PRO 13 -7.389 -2.530 3.585
87 HD3 PRO 13 HD1 PRO 13 -6.762 -0.889 3.837
88 H GLU 14 HN GLU 14 -5.735 -4.614 3.858
89 HA GLU 14 HA GLU 14 -4.214 -6.603 5.207
90 HB2 GLU 14 HB2 GLU 14 -5.807 -8.019 3.454
91 HB3 GLU 14 HB1 GLU 14 -6.207 -7.585 5.105
92 HG2 GLU 14 HG2 GLU 14 -8.055 -6.998 3.776
93 HG3 GLU 14 HG1 GLU 14 -7.252 -5.493 4.201
94 H ILE 15 HN ILE 15 -4.423 -5.592 1.834
95 HA ILE 15 HA ILE 15 -2.899 -7.720 0.774
96 HB ILE 15 HB ILE 15 -3.219 -4.922 -0.318
97 HG12 ILE 15 HG12 ILE 15 -4.780 -7.470 -0.793
98 HG13 ILE 15 HG11 ILE 15 -5.372 -5.993 -0.047
99 HG21 ILE 15 HG21 ILE 15 -1.469 -6.928 -1.140
100 HG22 ILE 15 HG22 ILE 15 -1.943 -5.493 -2.049
101 HG23 ILE 15 HG23 ILE 15 -2.818 -7.008 -2.274
102 HD11 ILE 15 HD11 ILE 15 -4.675 -6.460 -2.926
103 HD12 ILE 15 HD12 ILE 15 -4.916 -4.850 -2.251
104 HD13 ILE 15 HD13 ILE 15 -6.234 -6.022 -2.231
105 H CYS 16 HN CYS 16 -1.956 -4.428 1.749
106 HA CYS 16 HA CYS 16 0.805 -4.924 1.186
107 HB2 CYS 16 HB2 CYS 16 -0.626 -2.651 2.551
108 HB3 CYS 16 HB1 CYS 16 1.126 -2.699 2.366
109 H GLY 17 HN GLY 17 -1.141 -4.758 4.147
110 HA2 GLY 17 HA2 GLY 17 -0.776 -5.711 6.208
111 HA3 GLY 17 HA1 GLY 17 0.589 -6.569 5.512
112 H GLY 18 HN GLY 18 2.481 -5.008 4.981
113 HA2 GLY 18 HA2 GLY 18 2.909 -2.657 6.429
114 HA3 GLY 18 HA1 GLY 18 3.452 -3.998 7.429
115 H ALA 19 HN ALA 19 3.586 -3.796 3.913
116 HA ALA 19 HA ALA 19 6.403 -3.182 3.887
117 HB1 ALA 19 HB1 ALA 19 6.308 -5.565 2.391
118 HB2 ALA 19 HB2 ALA 19 5.554 -5.919 3.945
119 HB3 ALA 19 HB3 ALA 19 7.190 -5.261 3.888
120 H ALA 20 HN ALA 20 7.010 -2.319 1.975
121 HA ALA 20 HA ALA 20 5.043 -1.503 0.131
122 HB1 ALA 20 HB1 ALA 20 7.894 -1.097 0.527
123 HB2 ALA 20 HB2 ALA 20 6.665 0.010 -0.084
124 HB3 ALA 20 HB3 ALA 20 7.439 -1.140 -1.176
125 H GLY 21 HN GLY 21 7.099 -4.280 0.251
126 HA2 GLY 21 HA2 GLY 21 7.166 -4.997 -2.463
127 HA3 GLY 21 HA1 GLY 21 7.370 -6.097 -1.112
128 H GLY 22 HN GLY 22 4.492 -4.972 -0.368
129 HA2 GLY 22 HA2 GLY 22 3.081 -7.244 -1.254
130 HA3 GLY 22 HA1 GLY 22 2.363 -5.807 -0.541
Start of MODEL 2
1 H1 GLY 1 HN GLY 1 3.560 -3.933 -6.208
2 HA2 GLY 1 HA2 GLY 1 5.160 -1.664 -6.249
3 HA3 GLY 1 HA1 GLY 1 4.061 -2.131 -7.536
4 H HIS 2 HN HIS 2 1.613 -1.840 -6.128
5 HA HIS 2 HA HIS 2 1.389 1.042 -6.245
6 HB2 HIS 2 HB2 HIS 2 -0.293 -0.750 -7.152
7 HB3 HIS 2 HB1 HIS 2 -0.879 -0.779 -5.495
8 HD1 HIS 2 HD1 HIS 2 -1.229 1.995 -4.649
9 HD2 HIS 2 HD2 HIS 2 -1.842 0.893 -8.613
10 HE1 HIS 2 HE1 HIS 2 -2.727 3.765 -5.620
11 HE2 HIS 2 HE2 HIS 2 -2.962 3.157 -8.050
12 H CYS 3 HN CYS 3 2.172 -1.138 -3.856
13 HA CYS 3 HA CYS 3 0.705 -0.020 -1.680
14 HB2 CYS 3 HB2 CYS 3 3.163 -1.773 -1.688
15 HB3 CYS 3 HB1 CYS 3 2.225 -1.358 -0.254
16 H SER 4 HN SER 4 3.143 1.275 -3.480
17 HA SER 4 HA SER 4 4.637 2.560 -1.391
18 HB2 SER 4 HB2 SER 4 5.583 2.191 -3.672
19 HB3 SER 4 HB1 SER 4 4.392 3.316 -4.322
20 HG SER 4 HG SER 4 5.445 4.703 -2.485
21 H ASP 5 HN ASP 5 1.699 2.970 -3.031
22 HA ASP 5 HA ASP 5 1.282 5.762 -2.432
23 HB2 ASP 5 HB2 ASP 5 0.311 4.952 -4.455
24 HB3 ASP 5 HB1 ASP 5 -0.395 3.563 -3.645
25 HA PRO 6 HA PRO 6 -0.096 4.952 1.751
26 HB2 PRO 6 HB2 PRO 6 -1.372 7.387 2.054
27 HB3 PRO 6 HB1 PRO 6 0.349 7.107 2.333
28 HG2 PRO 6 HG2 PRO 6 -1.024 8.242 -0.065
29 HG3 PRO 6 HG1 PRO 6 0.503 8.733 0.693
30 HD2 PRO 6 HD2 PRO 6 0.459 7.268 -1.554
31 HD3 PRO 6 HD1 PRO 6 1.695 7.013 -0.304
32 H ARG 7 HN ARG 7 -2.201 6.108 -0.837
33 HA ARG 7 HA ARG 7 -4.679 5.708 0.465
34 HB2 ARG 7 HB2 ARG 7 -3.900 5.723 -2.453
35 HB3 ARG 7 HB1 ARG 7 -5.566 5.562 -1.913
36 HG2 ARG 7 HG2 ARG 7 -4.003 7.836 -0.847
37 HG3 ARG 7 HG1 ARG 7 -4.478 7.896 -2.542
38 HD2 ARG 7 HD2 ARG 7 -6.014 8.869 -0.626
39 HD3 ARG 7 HD1 ARG 7 -6.689 8.108 -2.060
40 HE ARG 7 HE ARG 7 -6.526 6.045 -0.321
41 HH11 ARG 7 HH11 ARG 7 -7.810 9.281 -0.018
42 HH12 ARG 7 HH12 ARG 7 -9.130 8.809 0.998
43 HH21 ARG 7 HH21 ARG 7 -8.289 5.386 0.994
44 HH22 ARG 7 HH22 ARG 7 -9.398 6.596 1.578
45 H PHE 8 HN PHE 8 -2.892 3.649 -1.812
46 HA PHE 8 HA PHE 8 -4.635 1.478 -1.810
47 HB2 PHE 8 HB2 PHE 8 -2.658 1.877 -3.345
48 HB3 PHE 8 HB1 PHE 8 -1.635 1.258 -2.054
49 HD1 PHE 8 HD2 PHE 8 -4.973 0.073 -3.179
50 HD2 PHE 8 HD1 PHE 8 -0.807 -0.753 -2.880
51 HE1 PHE 8 HE2 PHE 8 -5.372 -2.217 -3.982
52 HE2 PHE 8 HE1 PHE 8 -1.202 -3.043 -3.680
53 HZ PHE 8 HZ PHE 8 -3.483 -3.777 -4.235
54 H ASN 9 HN ASN 9 -2.057 2.313 0.434
55 HA ASN 9 HA ASN 9 -2.025 -0.157 1.828
56 HB2 ASN 9 HB2 ASN 9 -1.120 2.615 2.591
57 HB3 ASN 9 HB1 ASN 9 -0.960 1.239 3.678
58 HD21 ASN 9 HD21 ASN 9 0.733 3.061 1.679
59 HD22 ASN 9 HD22 ASN 9 1.874 1.915 1.066
60 H TYR 10 HN TYR 10 -3.725 2.891 2.389
61 HA TYR 10 HA TYR 10 -4.955 2.038 4.816
62 HB2 TYR 10 HB2 TYR 10 -4.610 4.409 4.309
63 HB3 TYR 10 HB1 TYR 10 -5.677 4.282 2.917
64 HD1 TYR 10 HD1 TYR 10 -5.966 3.173 6.482
65 HD2 TYR 10 HD2 TYR 10 -7.627 5.442 3.290
66 HE1 TYR 10 HE1 TYR 10 -7.888 3.751 7.901
67 HE2 TYR 10 HE2 TYR 10 -9.553 6.028 4.700
68 HH TYR 10 HH TYR 10 -10.311 4.447 7.524
69 H ASP 11 HN ASP 11 -6.043 2.320 1.468
70 HA ASP 11 HA ASP 11 -8.689 1.432 1.923
71 HB2 ASP 11 HB2 ASP 11 -7.064 1.434 -0.630
72 HB3 ASP 11 HB1 ASP 11 -8.805 1.198 -0.536
73 H HIS 12 HN HIS 12 -5.697 -0.244 1.497
74 HA HIS 12 HA HIS 12 -7.130 -2.772 1.762
75 HB2 HIS 12 HB2 HIS 12 -5.350 -2.024 -0.510
76 HB3 HIS 12 HB1 HIS 12 -5.303 -3.683 0.081
77 HD1 HIS 12 HD1 HIS 12 -7.831 -4.821 0.260
78 HD2 HIS 12 HD2 HIS 12 -7.291 -1.609 -2.345
79 HE1 HIS 12 HE1 HIS 12 -9.778 -4.895 -1.332
80 HE2 HIS 12 HE2 HIS 12 -9.533 -2.833 -2.757
81 HA PRO 13 HA PRO 13 -3.617 -2.592 4.687
82 HB2 PRO 13 HB2 PRO 13 -4.979 -3.578 6.793
83 HB3 PRO 13 HB1 PRO 13 -5.060 -1.874 6.331
84 HG2 PRO 13 HG2 PRO 13 -7.003 -4.080 5.783
85 HG3 PRO 13 HG1 PRO 13 -7.319 -2.406 6.272
86 HD2 PRO 13 HD2 PRO 13 -7.523 -3.292 3.696
87 HD3 PRO 13 HD1 PRO 13 -7.134 -1.616 4.129
88 H GLU 14 HN GLU 14 -5.717 -5.109 3.557
89 HA GLU 14 HA GLU 14 -4.300 -7.243 4.858
90 HB2 GLU 14 HB2 GLU 14 -5.796 -8.730 3.832
91 HB3 GLU 14 HB1 GLU 14 -6.754 -7.296 4.146
92 HG2 GLU 14 HG2 GLU 14 -5.526 -7.935 1.474
93 HG3 GLU 14 HG1 GLU 14 -7.155 -8.405 1.944
94 H ILE 15 HN ILE 15 -4.256 -5.705 1.708
95 HA ILE 15 HA ILE 15 -2.504 -7.599 0.488
96 HB ILE 15 HB ILE 15 -3.111 -4.742 -0.297
97 HG12 ILE 15 HG12 ILE 15 -4.232 -7.370 -1.299
98 HG13 ILE 15 HG11 ILE 15 -5.082 -6.216 -0.278
99 HG21 ILE 15 HG21 ILE 15 -2.389 -6.205 -2.558
100 HG22 ILE 15 HG22 ILE 15 -1.198 -6.640 -1.332
101 HG23 ILE 15 HG23 ILE 15 -1.445 -4.947 -1.760
102 HD11 ILE 15 HD11 ILE 15 -5.266 -6.345 -2.978
103 HD12 ILE 15 HD12 ILE 15 -4.047 -5.087 -2.769
104 HD13 ILE 15 HD13 ILE 15 -5.630 -4.917 -2.009
105 H CYS 16 HN CYS 16 -2.026 -4.460 2.052
106 HA CYS 16 HA CYS 16 0.759 -5.164 2.524
107 HB2 CYS 16 HB2 CYS 16 -0.124 -2.749 0.958
108 HB3 CYS 16 HB1 CYS 16 1.411 -2.778 1.818
109 H GLY 17 HN GLY 17 -1.651 -2.563 2.898
110 HA2 GLY 17 HA2 GLY 17 -2.197 -1.239 4.684
111 HA3 GLY 17 HA1 GLY 17 -1.824 -2.648 5.659
112 H GLY 18 HN GLY 18 0.461 -0.802 3.682
113 HA2 GLY 18 HA2 GLY 18 1.685 1.049 4.867
114 HA3 GLY 18 HA1 GLY 18 1.844 -0.092 6.195
115 H ALA 19 HN ALA 19 2.445 -2.407 4.768
116 HA ALA 19 HA ALA 19 5.231 -2.054 4.357
117 HB1 ALA 19 HB1 ALA 19 3.585 -4.196 4.876
118 HB2 ALA 19 HB2 ALA 19 5.309 -4.282 4.515
119 HB3 ALA 19 HB3 ALA 19 4.126 -4.501 3.225
120 H ALA 20 HN ALA 20 6.302 -1.490 2.571
121 HA ALA 20 HA ALA 20 4.866 -0.974 0.132
122 HB1 ALA 20 HB1 ALA 20 7.838 -0.769 0.364
123 HB2 ALA 20 HB2 ALA 20 6.801 0.389 1.197
124 HB3 ALA 20 HB3 ALA 20 6.712 0.229 -0.557
125 H GLY 21 HN GLY 21 4.635 -3.631 0.521
126 HA2 GLY 21 HA2 GLY 21 6.718 -5.107 -0.819
127 HA3 GLY 21 HA1 GLY 21 5.158 -5.736 -0.306
128 H GLY 22 HN GLY 22 3.355 -4.278 -1.617
129 HA2 GLY 22 HA2 GLY 22 3.657 -5.214 -4.329
130 HA3 GLY 22 HA1 GLY 22 2.241 -4.428 -3.643
Start of MODEL 3
1 H1 GLY 1 HN GLY 1 3.305 -6.171 -4.699
2 HA2 GLY 1 HA2 GLY 1 1.130 -5.544 -5.055
3 HA3 GLY 1 HA1 GLY 1 1.111 -4.971 -3.391
4 H HIS 2 HN HIS 2 0.552 -2.934 -3.257
5 HA HIS 2 HA HIS 2 1.795 -0.965 -5.007
6 HB2 HIS 2 HB2 HIS 2 -0.360 -1.586 -6.102
7 HB3 HIS 2 HB1 HIS 2 -1.214 -1.139 -4.633
8 HD1 HIS 2 HD1 HIS 2 1.279 0.655 -6.913
9 HD2 HIS 2 HD2 HIS 2 -2.317 1.290 -4.932
10 HE1 HIS 2 HE1 HIS 2 0.625 3.023 -7.444
11 HE2 HIS 2 HE2 HIS 2 -1.408 3.458 -6.009
12 H CYS 3 HN CYS 3 2.240 -1.679 -2.324
13 HA CYS 3 HA CYS 3 0.829 -0.102 -0.476
14 HB2 CYS 3 HB2 CYS 3 2.424 -2.051 -0.006
15 HB3 CYS 3 HB1 CYS 3 3.721 -0.868 -0.144
16 H SER 4 HN SER 4 3.271 0.713 -2.753
17 HA SER 4 HA SER 4 4.200 3.099 -1.490
18 HB2 SER 4 HB2 SER 4 4.345 2.483 -4.440
19 HB3 SER 4 HB1 SER 4 5.473 3.422 -3.460
20 HG SER 4 HG SER 4 6.505 1.638 -3.111
21 H ASP 5 HN ASP 5 1.578 3.348 -1.249
22 HA ASP 5 HA ASP 5 0.942 5.734 -2.696
23 HB2 ASP 5 HB2 ASP 5 0.329 3.916 -4.324
24 HB3 ASP 5 HB1 ASP 5 -0.812 3.302 -3.140
25 HA PRO 6 HA PRO 6 -0.673 6.144 1.470
26 HB2 PRO 6 HB2 PRO 6 -1.913 8.539 0.208
27 HB3 PRO 6 HB1 PRO 6 -0.958 8.413 1.689
28 HG2 PRO 6 HG2 PRO 6 0.112 9.430 -0.523
29 HG3 PRO 6 HG1 PRO 6 1.060 8.377 0.544
30 HD2 PRO 6 HD2 PRO 6 -0.219 7.760 -2.084
31 HD3 PRO 6 HD1 PRO 6 1.330 7.199 -1.424
32 H ARG 7 HN ARG 7 -2.599 6.467 -1.456
33 HA ARG 7 HA ARG 7 -5.141 6.291 -0.189
34 HB2 ARG 7 HB2 ARG 7 -4.345 5.619 -3.029
35 HB3 ARG 7 HB1 ARG 7 -5.989 5.871 -2.455
36 HG2 ARG 7 HG2 ARG 7 -5.604 8.164 -2.065
37 HG3 ARG 7 HG1 ARG 7 -3.862 7.979 -2.259
38 HD2 ARG 7 HD2 ARG 7 -5.929 7.594 -4.420
39 HD3 ARG 7 HD1 ARG 7 -4.891 9.008 -4.229
40 HE ARG 7 HE ARG 7 -3.285 6.692 -4.372
41 HH11 ARG 7 HH11 ARG 7 -5.306 8.717 -6.400
42 HH12 ARG 7 HH12 ARG 7 -4.479 8.301 -7.861
43 HH21 ARG 7 HH21 ARG 7 -2.213 6.118 -6.274
44 HH22 ARG 7 HH22 ARG 7 -2.701 6.821 -7.791
45 H PHE 8 HN PHE 8 -3.005 3.962 -1.746
46 HA PHE 8 HA PHE 8 -4.669 1.701 -1.503
47 HB2 PHE 8 HB2 PHE 8 -2.504 2.013 -2.901
48 HB3 PHE 8 HB1 PHE 8 -1.669 1.540 -1.427
49 HD1 PHE 8 HD1 PHE 8 -4.357 0.411 -3.735
50 HD2 PHE 8 HD2 PHE 8 -1.322 -0.701 -0.967
51 HE1 PHE 8 HE1 PHE 8 -4.725 -1.957 -4.288
52 HE2 PHE 8 HE2 PHE 8 -1.683 -3.070 -1.518
53 HZ PHE 8 HZ PHE 8 -3.385 -3.700 -3.182
54 H ASN 9 HN ASN 9 -2.409 3.244 0.654
55 HA ASN 9 HA ASN 9 -2.101 1.190 2.549
56 HB2 ASN 9 HB2 ASN 9 -1.981 4.197 2.858
57 HB3 ASN 9 HB1 ASN 9 -1.550 3.071 4.138
58 HD21 ASN 9 HD21 ASN 9 -0.607 1.456 1.536
59 HD22 ASN 9 HD22 ASN 9 1.008 2.043 1.353
60 H TYR 10 HN TYR 10 -4.643 3.478 1.967
61 HA TYR 10 HA TYR 10 -5.954 2.867 4.488
62 HB2 TYR 10 HB2 TYR 10 -5.852 5.199 3.666
63 HB3 TYR 10 HB1 TYR 10 -6.797 4.727 2.259
64 HD1 TYR 10 HD1 TYR 10 -7.143 4.020 5.914
65 HD2 TYR 10 HD2 TYR 10 -8.911 5.626 2.397
66 HE1 TYR 10 HE1 TYR 10 -9.216 4.457 7.165
67 HE2 TYR 10 HE2 TYR 10 -10.990 6.071 3.635
68 HH TYR 10 HH TYR 10 -11.821 4.704 6.379
69 H ASP 11 HN ASP 11 -6.610 2.537 0.990
70 HA ASP 11 HA ASP 11 -9.124 1.261 1.477
71 HB2 ASP 11 HB2 ASP 11 -9.496 1.350 -0.782
72 HB3 ASP 11 HB1 ASP 11 -8.322 2.643 -0.603
73 H HIS 12 HN HIS 12 -5.864 0.061 0.875
74 HA HIS 12 HA HIS 12 -6.880 -2.624 1.468
75 HB2 HIS 12 HB2 HIS 12 -5.352 -1.861 -0.998
76 HB3 HIS 12 HB1 HIS 12 -5.241 -3.489 -0.341
77 HD1 HIS 12 HD1 HIS 12 -7.762 -4.656 0.005
78 HD2 HIS 12 HD2 HIS 12 -7.341 -1.582 -2.775
79 HE1 HIS 12 HE1 HIS 12 -9.771 -4.811 -1.499
80 HE2 HIS 12 HE2 HIS 12 -9.596 -2.806 -3.013
81 HA PRO 13 HA PRO 13 -2.804 -1.532 3.651
82 HB2 PRO 13 HB2 PRO 13 -3.751 -2.119 6.159
83 HB3 PRO 13 HB1 PRO 13 -3.752 -0.492 5.470
84 HG2 PRO 13 HG2 PRO 13 -5.982 -2.476 5.655
85 HG3 PRO 13 HG1 PRO 13 -6.018 -0.720 5.907
86 HD2 PRO 13 HD2 PRO 13 -6.892 -1.860 3.624
87 HD3 PRO 13 HD1 PRO 13 -6.101 -0.271 3.642
88 H GLU 14 HN GLU 14 -5.257 -3.955 3.880
89 HA GLU 14 HA GLU 14 -3.974 -6.089 5.088
90 HB2 GLU 14 HB2 GLU 14 -5.553 -7.342 3.294
91 HB3 GLU 14 HB1 GLU 14 -6.173 -6.578 4.756
92 HG2 GLU 14 HG2 GLU 14 -7.095 -4.831 3.627
93 HG3 GLU 14 HG1 GLU 14 -5.899 -4.889 2.334
94 H ILE 15 HN ILE 15 -4.124 -5.259 1.630
95 HA ILE 15 HA ILE 15 -2.609 -7.420 0.694
96 HB ILE 15 HB ILE 15 -2.941 -4.678 -0.532
97 HG12 ILE 15 HG12 ILE 15 -4.424 -7.284 -0.944
98 HG13 ILE 15 HG11 ILE 15 -5.063 -5.829 -0.189
99 HG21 ILE 15 HG21 ILE 15 -1.114 -6.619 -1.261
100 HG22 ILE 15 HG22 ILE 15 -1.702 -5.305 -2.280
101 HG23 ILE 15 HG23 ILE 15 -2.470 -6.891 -2.355
102 HD11 ILE 15 HD11 ILE 15 -4.165 -5.994 -3.054
103 HD12 ILE 15 HD12 ILE 15 -5.002 -4.654 -2.271
104 HD13 ILE 15 HD13 ILE 15 -5.831 -6.192 -2.513
105 H CYS 16 HN CYS 16 -1.613 -4.202 1.797
106 HA CYS 16 HA CYS 16 1.116 -4.528 1.061
107 HB2 CYS 16 HB2 CYS 16 0.226 -2.291 1.469
108 HB3 CYS 16 HB1 CYS 16 -0.116 -2.711 3.146
109 H GLY 17 HN GLY 17 -0.691 -5.007 4.071
110 HA2 GLY 17 HA2 GLY 17 1.489 -5.755 5.689
111 HA3 GLY 17 HA1 GLY 17 -0.190 -6.185 5.975
112 H GLY 18 HN GLY 18 -0.725 -7.731 3.737
113 HA2 GLY 18 HA2 GLY 18 0.599 -10.186 4.489
114 HA3 GLY 18 HA1 GLY 18 -0.700 -10.012 3.319
115 H ALA 19 HN ALA 19 2.491 -8.476 3.425
116 HA ALA 19 HA ALA 19 3.657 -10.108 1.418
117 HB1 ALA 19 HB1 ALA 19 3.687 -7.687 0.013
118 HB2 ALA 19 HB2 ALA 19 2.007 -7.934 0.489
119 HB3 ALA 19 HB3 ALA 19 2.852 -9.173 -0.439
120 H ALA 20 HN ALA 20 3.562 -6.786 2.631
121 HA ALA 20 HA ALA 20 5.133 -5.360 3.420
122 HB1 ALA 20 HB1 ALA 20 7.149 -6.935 4.479
123 HB2 ALA 20 HB2 ALA 20 5.710 -7.949 4.579
124 HB3 ALA 20 HB3 ALA 20 5.714 -6.351 5.323
125 H GLY 21 HN GLY 21 5.430 -6.191 0.647
126 HA2 GLY 21 HA2 GLY 21 7.805 -4.918 0.000
127 HA3 GLY 21 HA1 GLY 21 8.172 -6.634 0.059
128 H GLY 22 HN GLY 22 5.294 -4.884 -1.124
129 HA2 GLY 22 HA2 GLY 22 5.826 -5.018 -3.829
130 HA3 GLY 22 HA1 GLY 22 5.106 -6.565 -3.413
Start of MODEL 4
1 H1 GLY 1 HN GLY 1 3.886 -3.196 -2.740
2 HA2 GLY 1 HA2 GLY 1 3.468 -3.852 -5.393
3 HA3 GLY 1 HA1 GLY 1 1.924 -4.093 -4.586
4 H HIS 2 HN HIS 2 0.620 -2.418 -4.761
5 HA HIS 2 HA HIS 2 1.594 0.198 -5.472
6 HB2 HIS 2 HB2 HIS 2 -0.550 -0.856 -6.321
7 HB3 HIS 2 HB1 HIS 2 -1.228 -0.605 -4.721
8 HD1 HIS 2 HD1 HIS 2 0.530 1.661 -7.259
9 HD2 HIS 2 HD2 HIS 2 -2.753 1.601 -4.717
10 HE1 HIS 2 HE1 HIS 2 -0.614 3.875 -7.581
11 HE2 HIS 2 HE2 HIS 2 -2.420 3.912 -5.818
12 H CYS 3 HN CYS 3 2.094 -1.132 -2.757
13 HA CYS 3 HA CYS 3 0.773 0.317 -0.738
14 HB2 CYS 3 HB2 CYS 3 3.539 -0.878 -0.560
15 HB3 CYS 3 HB1 CYS 3 2.395 -0.611 0.754
16 H SER 4 HN SER 4 3.338 1.187 -2.857
17 HA SER 4 HA SER 4 4.611 3.150 -1.277
18 HB2 SER 4 HB2 SER 4 5.577 2.223 -3.371
19 HB3 SER 4 HB1 SER 4 4.328 3.057 -4.295
20 HG SER 4 HG SER 4 5.307 4.950 -2.914
21 H ASP 5 HN ASP 5 1.602 3.021 -2.882
22 HA ASP 5 HA ASP 5 1.215 5.907 -2.889
23 HB2 ASP 5 HB2 ASP 5 0.419 4.707 -4.830
24 HB3 ASP 5 HB1 ASP 5 -0.513 3.612 -3.823
25 HA PRO 6 HA PRO 6 -0.437 5.845 1.239
26 HB2 PRO 6 HB2 PRO 6 -1.813 8.243 0.972
27 HB3 PRO 6 HB1 PRO 6 -0.120 8.078 1.448
28 HG2 PRO 6 HG2 PRO 6 -1.287 8.698 -1.231
29 HG3 PRO 6 HG1 PRO 6 0.164 9.362 -0.455
30 HD2 PRO 6 HD2 PRO 6 0.341 7.510 -2.378
31 HD3 PRO 6 HD1 PRO 6 1.449 7.503 -0.989
32 H ARG 7 HN ARG 7 -2.520 6.449 -1.570
33 HA ARG 7 HA ARG 7 -4.975 6.183 -0.200
34 HB2 ARG 7 HB2 ARG 7 -4.375 5.618 -3.109
35 HB3 ARG 7 HB1 ARG 7 -5.984 5.748 -2.417
36 HG2 ARG 7 HG2 ARG 7 -5.696 7.820 -3.349
37 HG3 ARG 7 HG1 ARG 7 -5.188 8.113 -1.684
38 HD2 ARG 7 HD2 ARG 7 -2.859 7.836 -2.344
39 HD3 ARG 7 HD1 ARG 7 -3.358 7.512 -4.001
40 HE ARG 7 HE ARG 7 -4.351 10.017 -3.151
41 HH11 ARG 7 HH11 ARG 7 -1.420 8.382 -4.150
42 HH12 ARG 7 HH12 ARG 7 -0.653 9.840 -4.716
43 HH21 ARG 7 HH21 ARG 7 -3.344 11.945 -3.899
44 HH22 ARG 7 HH22 ARG 7 -1.750 11.867 -4.573
45 H PHE 8 HN PHE 8 -3.058 3.834 -2.048
46 HA PHE 8 HA PHE 8 -4.778 1.648 -1.778
47 HB2 PHE 8 HB2 PHE 8 -2.736 1.808 -3.253
48 HB3 PHE 8 HB1 PHE 8 -1.769 1.461 -1.823
49 HD1 PHE 8 HD2 PHE 8 -4.902 0.060 -3.298
50 HD2 PHE 8 HD1 PHE 8 -0.997 -0.692 -1.787
51 HE1 PHE 8 HE2 PHE 8 -5.221 -2.347 -3.686
52 HE2 PHE 8 HE1 PHE 8 -1.307 -3.101 -2.174
53 HZ PHE 8 HZ PHE 8 -3.420 -3.931 -3.125
54 H ASN 9 HN ASN 9 -2.261 2.821 0.411
55 HA ASN 9 HA ASN 9 -2.229 0.628 2.161
56 HB2 ASN 9 HB2 ASN 9 -1.634 3.545 2.674
57 HB3 ASN 9 HB1 ASN 9 -1.358 2.273 3.859
58 HD21 ASN 9 HD21 ASN 9 0.164 4.132 1.731
59 HD22 ASN 9 HD22 ASN 9 1.455 3.089 1.246
60 H TYR 10 HN TYR 10 -4.293 3.469 2.042
61 HA TYR 10 HA TYR 10 -5.642 2.835 4.503
62 HB2 TYR 10 HB2 TYR 10 -5.396 5.165 3.704
63 HB3 TYR 10 HB1 TYR 10 -6.403 4.782 2.313
64 HD1 TYR 10 HD2 TYR 10 -6.724 4.075 5.972
65 HD2 TYR 10 HD1 TYR 10 -8.447 5.828 2.500
66 HE1 TYR 10 HE2 TYR 10 -8.730 4.658 7.269
67 HE2 TYR 10 HE1 TYR 10 -10.457 6.417 3.787
68 HH TYR 10 HH TYR 10 -11.348 5.105 6.505
69 H ASP 11 HN ASP 11 -6.282 2.530 1.059
70 HA ASP 11 HA ASP 11 -8.933 1.582 1.232
71 HB2 ASP 11 HB2 ASP 11 -7.981 2.519 -0.823
72 HB3 ASP 11 HB1 ASP 11 -6.845 1.182 -0.924
73 H HIS 12 HN HIS 12 -5.850 -0.180 0.776
74 HA HIS 12 HA HIS 12 -7.164 -2.539 1.922
75 HB2 HIS 12 HB2 HIS 12 -5.647 -2.458 -0.681
76 HB3 HIS 12 HB1 HIS 12 -5.996 -3.953 0.188
77 HD1 HIS 12 HD1 HIS 12 -8.723 -4.112 0.821
78 HD2 HIS 12 HD2 HIS 12 -7.549 -1.876 -2.485
79 HE1 HIS 12 HE1 HIS 12 -10.800 -3.822 -0.580
80 HE2 HIS 12 HE2 HIS 12 -10.108 -2.172 -2.356
81 HA PRO 13 HA PRO 13 -3.053 -1.917 3.899
82 HB2 PRO 13 HB2 PRO 13 -3.925 -2.384 6.422
83 HB3 PRO 13 HB1 PRO 13 -4.015 -0.791 5.664
84 HG2 PRO 13 HG2 PRO 13 -6.156 -2.849 6.010
85 HG3 PRO 13 HG1 PRO 13 -6.252 -1.089 6.201
86 HD2 PRO 13 HD2 PRO 13 -7.119 -2.403 3.976
87 HD3 PRO 13 HD1 PRO 13 -6.510 -0.736 3.948
88 H GLU 14 HN GLU 14 -5.494 -4.379 3.916
89 HA GLU 14 HA GLU 14 -4.105 -6.403 5.302
90 HB2 GLU 14 HB2 GLU 14 -5.787 -7.561 3.288
91 HB3 GLU 14 HB1 GLU 14 -6.007 -7.532 5.026
92 HG2 GLU 14 HG2 GLU 14 -7.950 -6.593 4.163
93 HG3 GLU 14 HG1 GLU 14 -7.001 -5.213 4.703
94 H ILE 15 HN ILE 15 -4.444 -5.765 1.824
95 HA ILE 15 HA ILE 15 -2.942 -7.913 0.882
96 HB ILE 15 HB ILE 15 -3.072 -5.178 -0.393
97 HG12 ILE 15 HG12 ILE 15 -4.998 -7.511 -0.522
98 HG13 ILE 15 HG11 ILE 15 -5.321 -5.903 0.110
99 HG21 ILE 15 HG21 ILE 15 -3.029 -7.648 -2.008
100 HG22 ILE 15 HG22 ILE 15 -1.535 -7.242 -1.163
101 HG23 ILE 15 HG23 ILE 15 -2.251 -6.091 -2.292
102 HD11 ILE 15 HD11 ILE 15 -6.249 -6.437 -2.177
103 HD12 ILE 15 HD12 ILE 15 -4.585 -6.365 -2.759
104 HD13 ILE 15 HD13 ILE 15 -5.325 -4.942 -2.027
105 H CYS 16 HN CYS 16 -1.850 -4.650 1.760
106 HA CYS 16 HA CYS 16 0.871 -5.178 1.079
107 HB2 CYS 16 HB2 CYS 16 -0.415 -2.975 2.694
108 HB3 CYS 16 HB1 CYS 16 1.309 -3.038 2.337
109 H GLY 17 HN GLY 17 -0.948 -5.105 4.125
110 HA2 GLY 17 HA2 GLY 17 -0.553 -6.210 6.104
111 HA3 GLY 17 HA1 GLY 17 0.767 -7.057 5.316
112 H GLY 18 HN GLY 18 2.488 -5.086 4.650
113 HA2 GLY 18 HA2 GLY 18 2.988 -3.083 6.529
114 HA3 GLY 18 HA1 GLY 18 3.792 -4.542 7.095
115 H ALA 19 HN ALA 19 4.323 -5.539 4.419
116 HA ALA 19 HA ALA 19 6.838 -4.311 3.997
117 HB1 ALA 19 HB1 ALA 19 5.610 -5.979 1.864
118 HB2 ALA 19 HB2 ALA 19 5.934 -6.727 3.428
119 HB3 ALA 19 HB3 ALA 19 7.251 -5.995 2.510
120 H ALA 20 HN ALA 20 7.276 -2.503 2.955
121 HA ALA 20 HA ALA 20 5.339 -0.986 1.578
122 HB1 ALA 20 HB1 ALA 20 6.926 0.656 1.435
123 HB2 ALA 20 HB2 ALA 20 8.235 -0.483 1.120
124 HB3 ALA 20 HB3 ALA 20 7.595 -0.305 2.754
125 H GLY 21 HN GLY 21 7.989 -3.043 0.452
126 HA2 GLY 21 HA2 GLY 21 7.447 -2.473 -2.328
127 HA3 GLY 21 HA1 GLY 21 8.627 -3.615 -1.706
128 H GLY 22 HN GLY 22 5.215 -3.601 -0.853
129 HA2 GLY 22 HA2 GLY 22 4.985 -6.354 -1.728
130 HA3 GLY 22 HA1 GLY 22 3.762 -5.420 -0.877
Start of MODEL 5
1 H1 GLY 1 HN GLY 1 5.137 -2.750 -6.669
2 HA2 GLY 1 HA2 GLY 1 3.157 -2.370 -7.749
3 HA3 GLY 1 HA1 GLY 1 2.362 -3.085 -6.357
4 H HIS 2 HN HIS 2 0.688 -1.720 -6.101
5 HA HIS 2 HA HIS 2 1.064 1.147 -6.178
6 HB2 HIS 2 HB2 HIS 2 -0.995 -0.040 -7.061
7 HB3 HIS 2 HB1 HIS 2 -1.429 -0.381 -5.391
8 HD1 HIS 2 HD1 HIS 2 -3.632 1.032 -6.009
9 HD2 HIS 2 HD2 HIS 2 -0.081 3.178 -5.841
10 HE1 HIS 2 HE1 HIS 2 -4.309 3.445 -5.846
11 HE2 HIS 2 HE2 HIS 2 -2.148 4.681 -5.431
12 H CYS 3 HN CYS 3 1.584 -1.208 -3.903
13 HA CYS 3 HA CYS 3 0.499 -0.123 -1.565
14 HB2 CYS 3 HB2 CYS 3 2.841 -1.939 -2.048
15 HB3 CYS 3 HB1 CYS 3 2.372 -1.436 -0.426
16 H SER 4 HN SER 4 3.158 0.966 -3.441
17 HA SER 4 HA SER 4 4.662 2.266 -1.439
18 HB2 SER 4 HB2 SER 4 4.328 3.185 -4.302
19 HB3 SER 4 HB1 SER 4 5.713 3.448 -3.241
20 HG SER 4 HG SER 4 6.131 1.747 -4.676
21 H ASP 5 HN ASP 5 1.709 2.981 -3.057
22 HA ASP 5 HA ASP 5 1.570 5.757 -2.241
23 HB2 ASP 5 HB2 ASP 5 0.632 5.096 -4.390
24 HB3 ASP 5 HB1 ASP 5 -0.388 3.899 -3.615
25 HA PRO 6 HA PRO 6 0.039 4.695 1.836
26 HB2 PRO 6 HB2 PRO 6 -1.011 7.223 2.314
27 HB3 PRO 6 HB1 PRO 6 0.649 6.727 2.649
28 HG2 PRO 6 HG2 PRO 6 -0.450 8.221 0.309
29 HG3 PRO 6 HG1 PRO 6 1.085 8.448 1.169
30 HD2 PRO 6 HD2 PRO 6 0.991 7.216 -1.205
31 HD3 PRO 6 HD1 PRO 6 2.106 6.677 0.069
32 H ARG 7 HN ARG 7 -1.859 6.161 -0.719
33 HA ARG 7 HA ARG 7 -4.409 5.997 0.492
34 HB2 ARG 7 HB2 ARG 7 -3.674 5.804 -2.437
35 HB3 ARG 7 HB1 ARG 7 -5.279 6.143 -1.803
36 HG2 ARG 7 HG2 ARG 7 -4.665 8.260 -1.052
37 HG3 ARG 7 HG1 ARG 7 -2.941 7.896 -1.150
38 HD2 ARG 7 HD2 ARG 7 -3.121 7.769 -3.593
39 HD3 ARG 7 HD1 ARG 7 -4.835 8.168 -3.482
40 HE ARG 7 HE ARG 7 -3.554 10.208 -2.186
41 HH11 ARG 7 HH11 ARG 7 -3.312 8.779 -5.354
42 HH12 ARG 7 HH12 ARG 7 -2.912 10.265 -6.151
43 HH21 ARG 7 HH21 ARG 7 -3.011 12.193 -3.215
44 HH22 ARG 7 HH22 ARG 7 -2.736 12.218 -4.923
45 H PHE 8 HN PHE 8 -2.585 3.778 -1.541
46 HA PHE 8 HA PHE 8 -4.554 1.744 -1.700
47 HB2 PHE 8 HB2 PHE 8 -2.513 2.069 -3.195
48 HB3 PHE 8 HB1 PHE 8 -1.574 1.328 -1.907
49 HD1 PHE 8 HD2 PHE 8 -4.825 0.583 -3.589
50 HD2 PHE 8 HD1 PHE 8 -1.011 -0.842 -2.358
51 HE1 PHE 8 HE2 PHE 8 -5.361 -1.634 -4.506
52 HE2 PHE 8 HE1 PHE 8 -1.539 -3.060 -3.275
53 HZ PHE 8 HZ PHE 8 -3.717 -3.460 -4.350
54 H ASN 9 HN ASN 9 -2.185 2.604 0.659
55 HA ASN 9 HA ASN 9 -2.054 0.120 2.038
56 HB2 ASN 9 HB2 ASN 9 -1.506 2.939 3.003
57 HB3 ASN 9 HB1 ASN 9 -1.123 1.481 3.911
58 HD21 ASN 9 HD21 ASN 9 -0.626 0.571 0.860
59 HD22 ASN 9 HD22 ASN 9 1.037 1.008 0.660
60 H TYR 10 HN TYR 10 -4.077 2.952 2.236
61 HA TYR 10 HA TYR 10 -5.417 2.174 4.636
62 HB2 TYR 10 HB2 TYR 10 -5.150 4.530 3.967
63 HB3 TYR 10 HB1 TYR 10 -6.178 4.243 2.567
64 HD1 TYR 10 HD2 TYR 10 -6.460 3.366 6.197
65 HD2 TYR 10 HD1 TYR 10 -8.211 5.289 2.830
66 HE1 TYR 10 HE2 TYR 10 -8.439 3.917 7.548
67 HE2 TYR 10 HE1 TYR 10 -10.194 5.847 4.173
68 HH TYR 10 HH TYR 10 -11.054 4.426 6.856
69 H ASP 11 HN ASP 11 -6.272 2.092 1.170
70 HA ASP 11 HA ASP 11 -8.853 0.969 1.749
71 HB2 ASP 11 HB2 ASP 11 -9.367 1.223 -0.474
72 HB3 ASP 11 HB1 ASP 11 -8.115 2.442 -0.295
73 H HIS 12 HN HIS 12 -5.714 -0.329 1.290
74 HA HIS 12 HA HIS 12 -6.887 -3.009 1.369
75 HB2 HIS 12 HB2 HIS 12 -4.922 -2.003 -0.648
76 HB3 HIS 12 HB1 HIS 12 -4.889 -3.698 -0.161
77 HD1 HIS 12 HD1 HIS 12 -7.450 -4.808 -0.239
78 HD2 HIS 12 HD2 HIS 12 -6.576 -1.606 -2.740
79 HE1 HIS 12 HE1 HIS 12 -9.226 -4.837 -2.031
80 HE2 HIS 12 HE2 HIS 12 -8.824 -2.719 -3.337
81 HA PRO 13 HA PRO 13 -3.617 -2.456 4.611
82 HB2 PRO 13 HB2 PRO 13 -5.098 -3.551 6.613
83 HB3 PRO 13 HB1 PRO 13 -5.151 -1.834 6.200
84 HG2 PRO 13 HG2 PRO 13 -7.044 -4.024 5.448
85 HG3 PRO 13 HG1 PRO 13 -7.399 -2.364 5.964
86 HD2 PRO 13 HD2 PRO 13 -7.458 -3.131 3.367
87 HD3 PRO 13 HD1 PRO 13 -6.999 -1.494 3.870
88 H GLU 14 HN GLU 14 -5.745 -5.145 3.748
89 HA GLU 14 HA GLU 14 -4.144 -7.150 4.976
90 HB2 GLU 14 HB2 GLU 14 -5.544 -8.762 3.885
91 HB3 GLU 14 HB1 GLU 14 -6.552 -7.453 4.472
92 HG2 GLU 14 HG2 GLU 14 -5.678 -7.873 1.619
93 HG3 GLU 14 HG1 GLU 14 -7.267 -8.238 2.284
94 H ILE 15 HN ILE 15 -4.155 -5.697 1.778
95 HA ILE 15 HA ILE 15 -2.462 -7.626 0.562
96 HB ILE 15 HB ILE 15 -3.028 -4.757 -0.198
97 HG12 ILE 15 HG12 ILE 15 -4.034 -7.415 -1.238
98 HG13 ILE 15 HG11 ILE 15 -4.967 -6.207 -0.362
99 HG21 ILE 15 HG21 ILE 15 -0.788 -5.838 -0.985
100 HG22 ILE 15 HG22 ILE 15 -1.803 -4.975 -2.141
101 HG23 ILE 15 HG23 ILE 15 -1.831 -6.738 -2.088
102 HD11 ILE 15 HD11 ILE 15 -3.737 -5.152 -2.774
103 HD12 ILE 15 HD12 ILE 15 -5.407 -5.065 -2.216
104 HD13 ILE 15 HD13 ILE 15 -4.840 -6.493 -3.083
105 H CYS 16 HN CYS 16 -1.858 -4.622 2.304
106 HA CYS 16 HA CYS 16 0.826 -5.470 2.852
107 HB2 CYS 16 HB2 CYS 16 1.742 -3.203 1.979
108 HB3 CYS 16 HB1 CYS 16 1.495 -4.528 0.850
109 H GLY 17 HN GLY 17 -1.482 -2.766 2.990
110 HA2 GLY 17 HA2 GLY 17 -2.219 -1.664 4.888
111 HA3 GLY 17 HA1 GLY 17 -1.109 -2.629 5.842
112 H GLY 18 HN GLY 18 1.289 -1.802 4.335
113 HA2 GLY 18 HA2 GLY 18 1.398 1.051 4.477
114 HA3 GLY 18 HA1 GLY 18 2.136 0.285 5.871
115 H ALA 19 HN ALA 19 2.580 1.418 2.821
116 HA ALA 19 HA ALA 19 4.314 1.581 1.389
117 HB1 ALA 19 HB1 ALA 19 5.771 2.272 3.010
118 HB2 ALA 19 HB2 ALA 19 6.610 0.854 2.379
119 HB3 ALA 19 HB3 ALA 19 5.699 0.743 3.885
120 H ALA 20 HN ALA 20 5.414 -1.359 3.036
121 HA ALA 20 HA ALA 20 5.791 -3.485 2.345
122 HB1 ALA 20 HB1 ALA 20 4.593 -3.904 -0.087
123 HB2 ALA 20 HB2 ALA 20 3.574 -2.670 0.653
124 HB3 ALA 20 HB3 ALA 20 3.865 -4.195 1.493
125 H GLY 21 HN GLY 21 5.963 -1.171 -0.346
126 HA2 GLY 21 HA2 GLY 21 7.894 -0.638 -1.559
127 HA3 GLY 21 HA1 GLY 21 8.691 -2.047 -0.874
128 H GLY 22 HN GLY 22 5.607 -1.804 -2.626
129 HA2 GLY 22 HA2 GLY 22 6.618 -2.796 -5.073
130 HA3 GLY 22 HA1 GLY 22 5.986 -4.125 -4.114
Start of MODEL 6
1 H1 GLY 1 HN GLY 1 5.096 -5.760 -3.062
2 HA2 GLY 1 HA2 GLY 1 3.288 -5.808 -4.476
3 HA3 GLY 1 HA1 GLY 1 2.332 -5.261 -3.108
4 H HIS 2 HN HIS 2 1.856 -3.079 -2.872
5 HA HIS 2 HA HIS 2 2.926 -1.161 -4.760
6 HB2 HIS 2 HB2 HIS 2 0.052 -2.063 -4.822
7 HB3 HIS 2 HB1 HIS 2 0.509 -0.452 -5.354
8 HD1 HIS 2 HD1 HIS 2 2.713 -0.697 -7.197
9 HD2 HIS 2 HD2 HIS 2 -0.123 -3.725 -6.926
10 HE1 HIS 2 HE1 HIS 2 2.881 -1.971 -9.357
11 HE2 HIS 2 HE2 HIS 2 1.253 -3.879 -9.112
12 H CYS 3 HN CYS 3 3.139 -1.388 -1.950
13 HA CYS 3 HA CYS 3 1.244 0.301 -0.630
14 HB2 CYS 3 HB2 CYS 3 4.048 -0.429 0.241
15 HB3 CYS 3 HB1 CYS 3 2.775 0.219 1.266
16 H SER 4 HN SER 4 2.743 1.360 -3.041
17 HA SER 4 HA SER 4 4.384 3.493 -2.051
18 HB2 SER 4 HB2 SER 4 3.214 3.225 -4.823
19 HB3 SER 4 HB1 SER 4 4.685 4.076 -4.343
20 HG SER 4 HG SER 4 5.598 2.050 -3.819
21 H ASP 5 HN ASP 5 1.112 3.159 -3.342
22 HA ASP 5 HA ASP 5 0.569 5.979 -3.151
23 HB2 ASP 5 HB2 ASP 5 -0.483 4.602 -4.898
24 HB3 ASP 5 HB1 ASP 5 -1.307 3.661 -3.656
25 HA PRO 6 HA PRO 6 -0.475 5.948 1.177
26 HB2 PRO 6 HB2 PRO 6 -1.943 8.422 0.479
27 HB3 PRO 6 HB1 PRO 6 -0.653 8.173 1.660
28 HG2 PRO 6 HG2 PRO 6 -0.195 9.465 -0.634
29 HG3 PRO 6 HG1 PRO 6 1.020 8.382 0.073
30 HD2 PRO 6 HD2 PRO 6 -0.855 7.898 -2.210
31 HD3 PRO 6 HD1 PRO 6 0.849 7.426 -2.030
32 H ARG 7 HN ARG 7 -2.900 6.654 -1.306
33 HA ARG 7 HA ARG 7 -5.171 6.234 0.332
34 HB2 ARG 7 HB2 ARG 7 -4.885 5.966 -2.666
35 HB3 ARG 7 HB1 ARG 7 -6.409 6.053 -1.793
36 HG2 ARG 7 HG2 ARG 7 -6.112 8.290 -1.251
37 HG3 ARG 7 HG1 ARG 7 -4.378 8.237 -1.570
38 HD2 ARG 7 HD2 ARG 7 -6.535 7.939 -3.658
39 HD3 ARG 7 HD1 ARG 7 -5.646 9.427 -3.327
40 HE ARG 7 HE ARG 7 -3.795 7.374 -3.827
41 HH11 ARG 7 HH11 ARG 7 -6.239 9.197 -5.555
42 HH12 ARG 7 HH12 ARG 7 -5.412 9.104 -7.072
43 HH21 ARG 7 HH21 ARG 7 -2.695 7.267 -5.777
44 HH22 ARG 7 HH22 ARG 7 -3.380 7.991 -7.206
45 H PHE 8 HN PHE 8 -3.484 4.165 -1.999
46 HA PHE 8 HA PHE 8 -5.063 1.884 -1.771
47 HB2 PHE 8 HB2 PHE 8 -3.265 2.224 -3.464
48 HB3 PHE 8 HB1 PHE 8 -2.068 1.947 -2.204
49 HD1 PHE 8 HD1 PHE 8 -5.220 0.240 -3.252
50 HD2 PHE 8 HD2 PHE 8 -1.060 -0.112 -2.404
51 HE1 PHE 8 HE1 PHE 8 -5.338 -2.179 -3.681
52 HE2 PHE 8 HE2 PHE 8 -1.176 -2.529 -2.834
53 HZ PHE 8 HZ PHE 8 -3.314 -3.565 -3.474
54 H ASN 9 HN ASN 9 -2.346 2.949 0.219
55 HA ASN 9 HA ASN 9 -2.063 0.617 1.761
56 HB2 ASN 9 HB2 ASN 9 -1.391 3.503 2.299
57 HB3 ASN 9 HB1 ASN 9 -1.117 2.258 3.514
58 HD21 ASN 9 HD21 ASN 9 0.483 4.014 1.425
59 HD22 ASN 9 HD22 ASN 9 1.695 2.903 0.894
60 H TYR 10 HN TYR 10 -4.128 3.444 2.176
61 HA TYR 10 HA TYR 10 -5.169 2.542 4.698
62 HB2 TYR 10 HB2 TYR 10 -5.006 4.938 4.169
63 HB3 TYR 10 HB1 TYR 10 -6.138 4.725 2.838
64 HD1 TYR 10 HD2 TYR 10 -6.136 3.598 6.408
65 HD2 TYR 10 HD1 TYR 10 -8.147 5.735 3.328
66 HE1 TYR 10 HE2 TYR 10 -8.012 4.029 7.940
67 HE2 TYR 10 HE1 TYR 10 -10.028 6.173 4.852
68 HH TYR 10 HH TYR 10 -10.702 4.568 7.446
69 H ASP 11 HN ASP 11 -6.263 2.588 1.352
70 HA ASP 11 HA ASP 11 -8.885 1.647 1.811
71 HB2 ASP 11 HB2 ASP 11 -8.041 2.802 -0.263
72 HB3 ASP 11 HB1 ASP 11 -7.236 1.301 -0.702
73 H HIS 12 HN HIS 12 -5.861 -0.035 1.008
74 HA HIS 12 HA HIS 12 -7.160 -2.529 1.857
75 HB2 HIS 12 HB2 HIS 12 -5.555 -2.081 -0.647
76 HB3 HIS 12 HB1 HIS 12 -5.750 -3.685 0.058
77 HD1 HIS 12 HD1 HIS 12 -8.438 -4.271 0.520
78 HD2 HIS 12 HD2 HIS 12 -7.472 -1.521 -2.445
79 HE1 HIS 12 HE1 HIS 12 -10.490 -4.080 -0.927
80 HE2 HIS 12 HE2 HIS 12 -9.971 -2.160 -2.472
81 HA PRO 13 HA PRO 13 -3.139 -1.825 4.108
82 HB2 PRO 13 HB2 PRO 13 -4.161 -2.569 6.535
83 HB3 PRO 13 HB1 PRO 13 -4.159 -0.905 5.941
84 HG2 PRO 13 HG2 PRO 13 -6.368 -2.919 5.933
85 HG3 PRO 13 HG1 PRO 13 -6.433 -1.184 6.294
86 HD2 PRO 13 HD2 PRO 13 -7.208 -2.195 3.912
87 HD3 PRO 13 HD1 PRO 13 -6.459 -0.593 4.064
88 H GLU 14 HN GLU 14 -5.568 -4.374 4.083
89 HA GLU 14 HA GLU 14 -3.960 -6.413 5.201
90 HB2 GLU 14 HB2 GLU 14 -5.632 -7.952 4.502
91 HB3 GLU 14 HB1 GLU 14 -6.469 -6.480 4.957
92 HG2 GLU 14 HG2 GLU 14 -5.797 -7.153 2.106
93 HG3 GLU 14 HG1 GLU 14 -7.285 -7.675 2.885
94 H ILE 15 HN ILE 15 -4.433 -5.278 1.898
95 HA ILE 15 HA ILE 15 -2.947 -7.355 0.658
96 HB ILE 15 HB ILE 15 -3.558 -4.560 -0.322
97 HG12 ILE 15 HG12 ILE 15 -4.839 -7.243 -0.899
98 HG13 ILE 15 HG11 ILE 15 -5.551 -5.929 0.032
99 HG21 ILE 15 HG21 ILE 15 -2.745 -5.121 -2.432
100 HG22 ILE 15 HG22 ILE 15 -2.737 -6.848 -2.076
101 HG23 ILE 15 HG23 ILE 15 -1.535 -5.791 -1.337
102 HD11 ILE 15 HD11 ILE 15 -5.366 -6.309 -2.868
103 HD12 ILE 15 HD12 ILE 15 -5.035 -4.671 -2.304
104 HD13 ILE 15 HD13 ILE 15 -6.567 -5.451 -1.903
105 H CYS 16 HN CYS 16 -2.115 -4.114 1.820
106 HA CYS 16 HA CYS 16 0.564 -4.144 0.937
107 HB2 CYS 16 HB2 CYS 16 -0.601 -2.078 1.645
108 HB3 CYS 16 HB1 CYS 16 -0.600 -2.662 3.307
109 H GLY 17 HN GLY 17 -0.959 -5.101 3.990
110 HA2 GLY 17 HA2 GLY 17 1.420 -5.775 5.363
111 HA3 GLY 17 HA1 GLY 17 -0.192 -6.366 5.746
112 H GLY 18 HN GLY 18 -0.816 -7.708 3.406
113 HA2 GLY 18 HA2 GLY 18 0.441 -10.201 3.812
114 HA3 GLY 18 HA1 GLY 18 -0.605 -9.788 2.462
115 H ALA 19 HN ALA 19 1.065 -7.590 1.569
116 HA ALA 19 HA ALA 19 2.841 -9.063 -0.114
117 HB1 ALA 19 HB1 ALA 19 3.413 -6.856 -1.047
118 HB2 ALA 19 HB2 ALA 19 2.462 -6.092 0.227
119 HB3 ALA 19 HB3 ALA 19 1.672 -7.125 -0.965
120 H ALA 20 HN ALA 20 3.160 -8.075 3.012
121 HA ALA 20 HA ALA 20 4.869 -7.846 4.477
122 HB1 ALA 20 HB1 ALA 20 5.957 -9.559 2.348
123 HB2 ALA 20 HB2 ALA 20 5.893 -9.811 4.092
124 HB3 ALA 20 HB3 ALA 20 7.155 -8.796 3.394
125 H GLY 21 HN GLY 21 4.283 -5.552 3.168
126 HA2 GLY 21 HA2 GLY 21 5.170 -3.426 2.996
127 HA3 GLY 21 HA1 GLY 21 6.739 -4.097 3.423
128 H GLY 22 HN GLY 22 4.600 -4.897 0.732
129 HA2 GLY 22 HA2 GLY 22 6.411 -3.632 -1.167
130 HA3 GLY 22 HA1 GLY 22 6.265 -5.384 -1.269
Start of MODEL 7
1 H1 GLY 1 HN GLY 1 4.805 -3.669 -4.025
2 HA2 GLY 1 HA2 GLY 1 3.286 -4.240 -6.091
3 HA3 GLY 1 HA1 GLY 1 2.087 -4.408 -4.816
4 H HIS 2 HN HIS 2 0.779 -2.710 -5.203
5 HA HIS 2 HA HIS 2 1.832 -0.080 -5.803
6 HB2 HIS 2 HB2 HIS 2 -0.281 -0.986 -6.810
7 HB3 HIS 2 HB1 HIS 2 -1.021 -0.926 -5.218
8 HD1 HIS 2 HD1 HIS 2 0.812 1.622 -7.410
9 HD2 HIS 2 HD2 HIS 2 -2.563 1.255 -5.017
10 HE1 HIS 2 HE1 HIS 2 -0.331 3.859 -7.509
11 HE2 HIS 2 HE2 HIS 2 -2.193 3.688 -5.812
12 H CYS 3 HN CYS 3 2.377 -1.477 -3.233
13 HA CYS 3 HA CYS 3 0.989 -0.313 -1.095
14 HB2 CYS 3 HB2 CYS 3 3.870 -1.100 -0.898
15 HB3 CYS 3 HB1 CYS 3 2.568 -1.338 0.265
16 H SER 4 HN SER 4 3.426 0.983 -3.162
17 HA SER 4 HA SER 4 4.595 2.890 -1.470
18 HB2 SER 4 HB2 SER 4 5.484 2.295 -3.707
19 HB3 SER 4 HB1 SER 4 4.103 3.098 -4.454
20 HG SER 4 HG SER 4 5.099 4.865 -2.831
21 H ASP 5 HN ASP 5 1.519 2.732 -2.983
22 HA ASP 5 HA ASP 5 0.866 5.529 -2.764
23 HB2 ASP 5 HB2 ASP 5 -0.099 4.116 -4.526
24 HB3 ASP 5 HB1 ASP 5 -0.820 3.071 -3.315
25 HA PRO 6 HA PRO 6 0.081 5.050 1.660
26 HB2 PRO 6 HB2 PRO 6 -0.917 7.607 1.956
27 HB3 PRO 6 HB1 PRO 6 0.795 7.183 2.029
28 HG2 PRO 6 HG2 PRO 6 -0.784 8.310 -0.242
29 HG3 PRO 6 HG1 PRO 6 0.866 8.698 0.280
30 HD2 PRO 6 HD2 PRO 6 0.387 7.121 -1.843
31 HD3 PRO 6 HD1 PRO 6 1.766 6.835 -0.760
32 H ARG 7 HN ARG 7 -2.152 6.265 -0.743
33 HA ARG 7 HA ARG 7 -4.513 6.101 0.834
34 HB2 ARG 7 HB2 ARG 7 -4.375 7.484 -1.167
35 HB3 ARG 7 HB1 ARG 7 -4.076 6.065 -2.157
36 HG2 ARG 7 HG2 ARG 7 -6.409 5.330 -1.132
37 HG3 ARG 7 HG1 ARG 7 -6.600 7.082 -1.010
38 HD2 ARG 7 HD2 ARG 7 -7.445 6.238 -3.152
39 HD3 ARG 7 HD1 ARG 7 -6.063 7.316 -3.380
40 HE ARG 7 HE ARG 7 -4.852 5.553 -4.202
41 HH11 ARG 7 HH11 ARG 7 -7.771 4.340 -2.718
42 HH12 ARG 7 HH12 ARG 7 -7.405 2.667 -3.021
43 HH21 ARG 7 HH21 ARG 7 -4.345 3.368 -4.601
44 HH22 ARG 7 HH22 ARG 7 -5.454 2.123 -4.113
45 H PHE 8 HN PHE 8 -2.801 3.937 -1.325
46 HA PHE 8 HA PHE 8 -4.711 1.850 -1.432
47 HB2 PHE 8 HB2 PHE 8 -2.749 2.175 -2.995
48 HB3 PHE 8 HB1 PHE 8 -1.713 1.564 -1.711
49 HD1 PHE 8 HD2 PHE 8 -4.972 0.520 -3.208
50 HD2 PHE 8 HD1 PHE 8 -1.018 -0.587 -2.093
51 HE1 PHE 8 HE2 PHE 8 -5.398 -1.776 -3.981
52 HE2 PHE 8 HE1 PHE 8 -1.437 -2.882 -2.863
53 HZ PHE 8 HZ PHE 8 -3.629 -3.479 -3.810
54 H ASN 9 HN ASN 9 -2.236 2.728 0.843
55 HA ASN 9 HA ASN 9 -2.050 0.280 2.253
56 HB2 ASN 9 HB2 ASN 9 -1.602 3.113 3.234
57 HB3 ASN 9 HB1 ASN 9 -1.139 1.663 4.109
58 HD21 ASN 9 HD21 ASN 9 -0.571 0.734 1.107
59 HD22 ASN 9 HD22 ASN 9 1.049 1.297 0.887
60 H TYR 10 HN TYR 10 -4.270 2.942 2.308
61 HA TYR 10 HA TYR 10 -5.545 2.122 4.763
62 HB2 TYR 10 HB2 TYR 10 -5.295 4.502 4.196
63 HB3 TYR 10 HB1 TYR 10 -6.315 4.269 2.781
64 HD1 TYR 10 HD1 TYR 10 -6.616 3.212 6.358
65 HD2 TYR 10 HD2 TYR 10 -8.347 5.306 3.084
66 HE1 TYR 10 HE1 TYR 10 -8.608 3.683 7.721
67 HE2 TYR 10 HE2 TYR 10 -10.343 5.784 4.438
68 HH TYR 10 HH TYR 10 -11.193 4.211 7.080
69 H ASP 11 HN ASP 11 -6.434 2.173 1.287
70 HA ASP 11 HA ASP 11 -9.000 1.030 1.865
71 HB2 ASP 11 HB2 ASP 11 -9.483 1.084 -0.447
72 HB3 ASP 11 HB1 ASP 11 -8.565 2.540 -0.103
73 H HIS 12 HN HIS 12 -5.883 -0.284 1.269
74 HA HIS 12 HA HIS 12 -7.051 -2.957 1.433
75 HB2 HIS 12 HB2 HIS 12 -5.271 -1.973 -0.776
76 HB3 HIS 12 HB1 HIS 12 -5.311 -3.679 -0.334
77 HD1 HIS 12 HD1 HIS 12 -7.901 -4.677 -0.273
78 HD2 HIS 12 HD2 HIS 12 -7.124 -1.334 -2.634
79 HE1 HIS 12 HE1 HIS 12 -9.817 -4.531 -1.905
80 HE2 HIS 12 HE2 HIS 12 -9.434 -2.371 -3.147
81 HA PRO 13 HA PRO 13 -3.289 -2.291 4.147
82 HB2 PRO 13 HB2 PRO 13 -4.499 -3.107 6.448
83 HB3 PRO 13 HB1 PRO 13 -4.485 -1.426 5.904
84 HG2 PRO 13 HG2 PRO 13 -6.640 -3.483 5.649
85 HG3 PRO 13 HG1 PRO 13 -6.775 -1.766 6.070
86 HD2 PRO 13 HD2 PRO 13 -7.324 -2.703 3.593
87 HD3 PRO 13 HD1 PRO 13 -6.643 -1.088 3.872
88 H GLU 14 HN GLU 14 -5.675 -4.815 3.710
89 HA GLU 14 HA GLU 14 -4.220 -6.911 4.944
90 HB2 GLU 14 HB2 GLU 14 -5.830 -8.394 4.043
91 HB3 GLU 14 HB1 GLU 14 -6.694 -6.913 4.413
92 HG2 GLU 14 HG2 GLU 14 -5.695 -7.572 1.656
93 HG3 GLU 14 HG1 GLU 14 -7.279 -8.063 2.245
94 H ILE 15 HN ILE 15 -4.237 -5.599 1.681
95 HA ILE 15 HA ILE 15 -2.758 -7.711 0.497
96 HB ILE 15 HB ILE 15 -3.056 -4.834 -0.384
97 HG12 ILE 15 HG12 ILE 15 -4.459 -7.380 -1.231
98 HG13 ILE 15 HG11 ILE 15 -5.169 -6.058 -0.311
99 HG21 ILE 15 HG21 ILE 15 -2.398 -6.880 -2.385
100 HG22 ILE 15 HG22 ILE 15 -1.107 -6.525 -1.238
101 HG23 ILE 15 HG23 ILE 15 -1.803 -5.229 -2.209
102 HD11 ILE 15 HD11 ILE 15 -4.653 -4.596 -2.325
103 HD12 ILE 15 HD12 ILE 15 -5.947 -5.783 -2.497
104 HD13 ILE 15 HD13 ILE 15 -4.359 -6.101 -3.195
105 H CYS 16 HN CYS 16 -1.758 -4.464 1.601
106 HA CYS 16 HA CYS 16 0.660 -5.419 2.691
107 HB2 CYS 16 HB2 CYS 16 2.257 -4.363 1.123
108 HB3 CYS 16 HB1 CYS 16 1.374 -5.698 0.396
109 H GLY 17 HN GLY 17 -1.290 -3.867 3.752
110 HA2 GLY 17 HA2 GLY 17 -0.810 -1.070 3.541
111 HA3 GLY 17 HA1 GLY 17 -1.662 -1.876 4.854
112 H GLY 18 HN GLY 18 0.165 -3.470 5.976
113 HA2 GLY 18 HA2 GLY 18 1.920 -1.583 7.288
114 HA3 GLY 18 HA1 GLY 18 1.724 -3.285 7.693
115 H ALA 19 HN ALA 19 2.278 -4.502 5.331
116 HA ALA 19 HA ALA 19 5.152 -4.168 5.149
117 HB1 ALA 19 HB1 ALA 19 4.142 -6.156 3.353
118 HB2 ALA 19 HB2 ALA 19 3.375 -6.345 4.929
119 HB3 ALA 19 HB3 ALA 19 5.133 -6.365 4.796
120 H ALA 20 HN ALA 20 4.559 -1.963 4.191
121 HA ALA 20 HA ALA 20 3.573 -1.779 1.548
122 HB1 ALA 20 HB1 ALA 20 5.375 0.312 2.659
123 HB2 ALA 20 HB2 ALA 20 3.823 0.011 3.443
124 HB3 ALA 20 HB3 ALA 20 3.876 0.479 1.743
125 H GLY 21 HN GLY 21 5.048 -3.631 0.790
126 HA2 GLY 21 HA2 GLY 21 7.080 -2.459 -0.868
127 HA3 GLY 21 HA1 GLY 21 7.753 -3.474 0.397
128 H GLY 22 HN GLY 22 4.836 -3.827 -1.626
129 HA2 GLY 22 HA2 GLY 22 6.003 -5.984 -3.126
130 HA3 GLY 22 HA1 GLY 22 4.858 -6.536 -1.915
Start of MODEL 8
1 H1 GLY 1 HN GLY 1 2.454 -5.236 -6.679
2 HA2 GLY 1 HA2 GLY 1 3.581 -4.165 -4.271
3 HA3 GLY 1 HA1 GLY 1 4.317 -4.148 -5.865
4 H HIS 2 HN HIS 2 1.361 -2.698 -4.486
5 HA HIS 2 HA HIS 2 2.327 -0.098 -5.499
6 HB2 HIS 2 HB2 HIS 2 0.298 -1.122 -6.664
7 HB3 HIS 2 HB1 HIS 2 -0.578 -0.867 -5.161
8 HD1 HIS 2 HD1 HIS 2 1.647 1.385 -7.301
9 HD2 HIS 2 HD2 HIS 2 -2.051 1.372 -5.408
10 HE1 HIS 2 HE1 HIS 2 0.654 3.648 -7.749
11 HE2 HIS 2 HE2 HIS 2 -1.442 3.708 -6.352
12 H CYS 3 HN CYS 3 2.861 -1.291 -2.937
13 HA CYS 3 HA CYS 3 1.177 -0.198 -0.927
14 HB2 CYS 3 HB2 CYS 3 2.715 -2.148 -0.605
15 HB3 CYS 3 HB1 CYS 3 4.074 -1.031 -0.665
16 H SER 4 HN SER 4 3.398 1.238 -2.999
17 HA SER 4 HA SER 4 4.437 3.255 -1.287
18 HB2 SER 4 HB2 SER 4 4.818 4.365 -3.645
19 HB3 SER 4 HB1 SER 4 5.747 2.942 -3.171
20 HG SER 4 HG SER 4 4.869 2.698 -5.259
21 H ASP 5 HN ASP 5 1.446 2.788 -2.873
22 HA ASP 5 HA ASP 5 0.692 5.573 -2.997
23 HB2 ASP 5 HB2 ASP 5 -0.102 3.631 -4.515
24 HB3 ASP 5 HB1 ASP 5 -1.189 3.234 -3.192
25 HA PRO 6 HA PRO 6 -0.464 5.632 1.346
26 HB2 PRO 6 HB2 PRO 6 -1.690 8.210 0.576
27 HB3 PRO 6 HB1 PRO 6 -0.470 7.869 1.807
28 HG2 PRO 6 HG2 PRO 6 0.169 9.114 -0.474
29 HG3 PRO 6 HG1 PRO 6 1.276 7.960 0.293
30 HD2 PRO 6 HD2 PRO 6 -0.528 7.576 -2.065
31 HD3 PRO 6 HD1 PRO 6 1.132 6.998 -1.810
32 H ARG 7 HN ARG 7 -2.608 6.421 -1.329
33 HA ARG 7 HA ARG 7 -5.045 6.222 0.128
34 HB2 ARG 7 HB2 ARG 7 -4.594 5.860 -2.838
35 HB3 ARG 7 HB1 ARG 7 -6.116 6.251 -2.049
36 HG2 ARG 7 HG2 ARG 7 -5.416 8.419 -1.523
37 HG3 ARG 7 HG1 ARG 7 -3.721 8.041 -1.839
38 HD2 ARG 7 HD2 ARG 7 -5.925 8.136 -3.896
39 HD3 ARG 7 HD1 ARG 7 -4.699 9.379 -3.641
40 HE ARG 7 HE ARG 7 -3.416 6.909 -4.095
41 HH11 ARG 7 HH11 ARG 7 -5.310 9.316 -5.804
42 HH12 ARG 7 HH12 ARG 7 -4.606 8.964 -7.345
43 HH21 ARG 7 HH21 ARG 7 -2.489 6.432 -6.113
44 HH22 ARG 7 HH22 ARG 7 -2.993 7.320 -7.525
45 H PHE 8 HN PHE 8 -3.182 4.030 -1.890
46 HA PHE 8 HA PHE 8 -4.963 1.868 -1.956
47 HB2 PHE 8 HB2 PHE 8 -2.859 2.190 -3.336
48 HB3 PHE 8 HB1 PHE 8 -1.950 1.652 -1.929
49 HD1 PHE 8 HD2 PHE 8 -5.064 0.464 -3.611
50 HD2 PHE 8 HD1 PHE 8 -1.151 -0.469 -2.225
51 HE1 PHE 8 HE2 PHE 8 -5.370 -1.869 -4.327
52 HE2 PHE 8 HE1 PHE 8 -1.449 -2.803 -2.940
53 HZ PHE 8 HZ PHE 8 -3.562 -3.504 -3.992
54 H ASN 9 HN ASN 9 -2.409 2.698 0.350
55 HA ASN 9 HA ASN 9 -2.654 0.356 1.926
56 HB2 ASN 9 HB2 ASN 9 -1.535 3.084 2.571
57 HB3 ASN 9 HB1 ASN 9 -1.482 1.727 3.693
58 HD21 ASN 9 HD21 ASN 9 0.405 3.371 1.785
59 HD22 ASN 9 HD22 ASN 9 1.451 2.140 1.172
60 H TYR 10 HN TYR 10 -4.328 3.414 1.909
61 HA TYR 10 HA TYR 10 -5.543 3.086 4.468
62 HB2 TYR 10 HB2 TYR 10 -5.268 5.301 3.436
63 HB3 TYR 10 HB1 TYR 10 -6.357 4.835 2.134
64 HD1 TYR 10 HD2 TYR 10 -6.534 4.513 5.858
65 HD2 TYR 10 HD1 TYR 10 -8.339 5.995 2.302
66 HE1 TYR 10 HE2 TYR 10 -8.448 5.321 7.173
67 HE2 TYR 10 HE1 TYR 10 -10.257 6.808 3.608
68 HH TYR 10 HH TYR 10 -11.193 5.864 6.280
69 H ASP 11 HN ASP 11 -6.610 2.555 1.133
70 HA ASP 11 HA ASP 11 -9.208 1.640 1.873
71 HB2 ASP 11 HB2 ASP 11 -8.686 2.680 -0.322
72 HB3 ASP 11 HB1 ASP 11 -7.746 1.255 -0.747
73 H HIS 12 HN HIS 12 -6.166 -0.008 1.042
74 HA HIS 12 HA HIS 12 -7.317 -2.455 2.182
75 HB2 HIS 12 HB2 HIS 12 -5.946 -2.313 -0.505
76 HB3 HIS 12 HB1 HIS 12 -6.270 -3.813 0.356
77 HD1 HIS 12 HD1 HIS 12 -8.952 -4.179 0.911
78 HD2 HIS 12 HD2 HIS 12 -7.914 -1.560 -2.153
79 HE1 HIS 12 HE1 HIS 12 -11.061 -3.804 -0.413
80 HE2 HIS 12 HE2 HIS 12 -10.457 -1.959 -2.025
81 HA PRO 13 HA PRO 13 -3.011 -1.568 3.783
82 HB2 PRO 13 HB2 PRO 13 -3.659 -2.249 6.360
83 HB3 PRO 13 HB1 PRO 13 -3.770 -0.605 5.725
84 HG2 PRO 13 HG2 PRO 13 -5.925 -2.643 6.100
85 HG3 PRO 13 HG1 PRO 13 -5.968 -0.898 6.404
86 HD2 PRO 13 HD2 PRO 13 -7.066 -2.003 4.200
87 HD3 PRO 13 HD1 PRO 13 -6.322 -0.391 4.179
88 H GLU 14 HN GLU 14 -5.363 -4.061 4.120
89 HA GLU 14 HA GLU 14 -3.974 -6.191 5.188
90 HB2 GLU 14 HB2 GLU 14 -5.647 -7.567 3.933
91 HB3 GLU 14 HB1 GLU 14 -6.357 -6.239 4.845
92 HG2 GLU 14 HG2 GLU 14 -6.032 -4.982 2.529
93 HG3 GLU 14 HG1 GLU 14 -6.137 -6.630 1.916
94 H ILE 15 HN ILE 15 -4.103 -5.084 1.828
95 HA ILE 15 HA ILE 15 -2.802 -7.258 0.653
96 HB ILE 15 HB ILE 15 -2.935 -4.381 -0.243
97 HG12 ILE 15 HG12 ILE 15 -4.505 -6.854 -1.009
98 HG13 ILE 15 HG11 ILE 15 -5.100 -5.505 -0.048
99 HG21 ILE 15 HG21 ILE 15 -2.057 -6.815 -1.797
100 HG22 ILE 15 HG22 ILE 15 -1.026 -5.476 -1.292
101 HG23 ILE 15 HG23 ILE 15 -2.313 -5.203 -2.468
102 HD11 ILE 15 HD11 ILE 15 -5.975 -4.930 -2.049
103 HD12 ILE 15 HD12 ILE 15 -4.698 -5.729 -2.965
104 HD13 ILE 15 HD13 ILE 15 -4.400 -4.157 -2.223
105 H CYS 16 HN CYS 16 -1.407 -4.176 1.812
106 HA CYS 16 HA CYS 16 1.254 -5.058 1.171
107 HB2 CYS 16 HB2 CYS 16 0.561 -2.640 1.177
108 HB3 CYS 16 HB1 CYS 16 0.469 -2.728 2.933
109 H GLY 17 HN GLY 17 -0.775 -4.922 4.030
110 HA2 GLY 17 HA2 GLY 17 1.175 -5.479 5.970
111 HA3 GLY 17 HA1 GLY 17 -0.542 -5.795 6.129
112 H GLY 18 HN GLY 18 -0.916 -7.749 4.155
113 HA2 GLY 18 HA2 GLY 18 1.051 -9.811 4.387
114 HA3 GLY 18 HA1 GLY 18 -0.273 -10.063 5.511
115 H ALA 19 HN ALA 19 0.199 -9.240 2.077
116 HA ALA 19 HA ALA 19 -1.453 -11.484 1.303
117 HB1 ALA 19 HB1 ALA 19 -3.216 -10.363 0.320
118 HB2 ALA 19 HB2 ALA 19 -2.330 -8.842 0.217
119 HB3 ALA 19 HB3 ALA 19 -2.944 -9.401 1.773
120 H ALA 20 HN ALA 20 0.233 -8.554 0.290
121 HA ALA 20 HA ALA 20 1.624 -8.075 -1.433
122 HB1 ALA 20 HB1 ALA 20 2.039 -11.057 -1.352
123 HB2 ALA 20 HB2 ALA 20 3.032 -9.808 -0.602
124 HB3 ALA 20 HB3 ALA 20 2.986 -9.960 -2.358
125 H GLY 21 HN GLY 21 -1.108 -8.295 -2.034
126 HA2 GLY 21 HA2 GLY 21 -1.609 -9.787 -4.392
127 HA3 GLY 21 HA1 GLY 21 -2.571 -8.441 -3.798
128 H GLY 22 HN GLY 22 -0.238 -6.637 -3.816
129 HA2 GLY 22 HA2 GLY 22 0.677 -6.474 -6.529
130 HA3 GLY 22 HA1 GLY 22 -0.586 -5.305 -6.166
Start of MODEL 9
1 H1 GLY 1 HN GLY 1 1.689 -4.844 -5.967
2 HA2 GLY 1 HA2 GLY 1 -1.041 -4.497 -5.373
3 HA3 GLY 1 HA1 GLY 1 -0.103 -4.239 -3.910
4 H HIS 2 HN HIS 2 -0.237 -2.123 -3.603
5 HA HIS 2 HA HIS 2 1.136 -0.344 -5.419
6 HB2 HIS 2 HB2 HIS 2 -1.154 -0.505 -6.381
7 HB3 HIS 2 HB1 HIS 2 -1.828 0.002 -4.845
8 HD1 HIS 2 HD1 HIS 2 0.821 1.534 -7.149
9 HD2 HIS 2 HD2 HIS 2 -2.664 2.521 -5.116
10 HE1 HIS 2 HE1 HIS 2 0.410 3.966 -7.652
11 HE2 HIS 2 HE2 HIS 2 -1.555 4.593 -6.190
12 H CYS 3 HN CYS 3 1.501 -1.312 -2.773
13 HA CYS 3 HA CYS 3 0.605 0.372 -0.734
14 HB2 CYS 3 HB2 CYS 3 3.180 -1.201 -0.839
15 HB3 CYS 3 HB1 CYS 3 2.394 -0.589 0.613
16 H SER 4 HN SER 4 2.956 0.994 -3.149
17 HA SER 4 HA SER 4 4.654 2.780 -1.798
18 HB2 SER 4 HB2 SER 4 3.856 3.095 -4.687
19 HB3 SER 4 HB1 SER 4 5.428 3.393 -3.941
20 HG SER 4 HG SER 4 5.912 1.350 -4.139
21 H ASP 5 HN ASP 5 1.456 3.036 -3.025
22 HA ASP 5 HA ASP 5 1.340 5.941 -2.715
23 HB2 ASP 5 HB2 ASP 5 0.429 4.972 -4.761
24 HB3 ASP 5 HB1 ASP 5 -0.605 3.907 -3.827
25 HA PRO 6 HA PRO 6 -0.194 5.416 1.459
26 HB2 PRO 6 HB2 PRO 6 -1.317 7.944 1.598
27 HB3 PRO 6 HB1 PRO 6 0.369 7.561 1.959
28 HG2 PRO 6 HG2 PRO 6 -0.835 8.646 -0.555
29 HG3 PRO 6 HG1 PRO 6 0.686 9.092 0.245
30 HD2 PRO 6 HD2 PRO 6 0.681 7.517 -1.912
31 HD3 PRO 6 HD1 PRO 6 1.804 7.218 -0.567
32 H ARG 7 HN ARG 7 -2.126 6.521 -1.252
33 HA ARG 7 HA ARG 7 -4.666 6.424 -0.026
34 HB2 ARG 7 HB2 ARG 7 -3.943 5.951 -2.923
35 HB3 ARG 7 HB1 ARG 7 -5.543 6.349 -2.313
36 HG2 ARG 7 HG2 ARG 7 -4.883 8.528 -1.716
37 HG3 ARG 7 HG1 ARG 7 -3.173 8.148 -1.926
38 HD2 ARG 7 HD2 ARG 7 -4.013 9.465 -3.798
39 HD3 ARG 7 HD1 ARG 7 -3.527 7.854 -4.323
40 HE ARG 7 HE ARG 7 -6.279 7.871 -3.714
41 HH11 ARG 7 HH11 ARG 7 -4.005 8.996 -6.108
42 HH12 ARG 7 HH12 ARG 7 -5.162 9.026 -7.396
43 HH21 ARG 7 HH21 ARG 7 -7.832 7.896 -5.409
44 HH22 ARG 7 HH22 ARG 7 -7.353 8.396 -6.996
45 H PHE 8 HN PHE 8 -2.868 4.011 -1.898
46 HA PHE 8 HA PHE 8 -4.861 2.009 -1.801
47 HB2 PHE 8 HB2 PHE 8 -2.915 2.042 -3.387
48 HB3 PHE 8 HB1 PHE 8 -1.885 1.555 -2.044
49 HD1 PHE 8 HD2 PHE 8 -4.992 0.521 -3.816
50 HD2 PHE 8 HD1 PHE 8 -1.524 -0.693 -1.670
51 HE1 PHE 8 HE2 PHE 8 -5.545 -1.832 -4.263
52 HE2 PHE 8 HE1 PHE 8 -2.071 -3.050 -2.115
53 HZ PHE 8 HZ PHE 8 -4.085 -3.622 -3.413
54 H ASN 9 HN ASN 9 -2.274 2.895 0.388
55 HA ASN 9 HA ASN 9 -2.247 0.584 1.983
56 HB2 ASN 9 HB2 ASN 9 -1.529 3.455 2.521
57 HB3 ASN 9 HB1 ASN 9 -1.472 2.257 3.811
58 HD21 ASN 9 HD21 ASN 9 0.257 3.718 1.397
59 HD22 ASN 9 HD22 ASN 9 1.546 2.581 1.244
60 H TYR 10 HN TYR 10 -4.324 3.390 1.954
61 HA TYR 10 HA TYR 10 -5.710 2.660 4.374
62 HB2 TYR 10 HB2 TYR 10 -5.470 5.024 3.705
63 HB3 TYR 10 HB1 TYR 10 -6.399 4.701 2.245
64 HD1 TYR 10 HD2 TYR 10 -6.909 3.806 5.840
65 HD2 TYR 10 HD1 TYR 10 -8.455 5.731 2.376
66 HE1 TYR 10 HE2 TYR 10 -8.986 4.312 7.055
67 HE2 TYR 10 HE1 TYR 10 -10.536 6.244 3.581
68 HH TYR 10 HH TYR 10 -11.589 4.794 6.123
69 H ASP 11 HN ASP 11 -6.239 2.504 0.907
70 HA ASP 11 HA ASP 11 -8.890 1.563 0.905
71 HB2 ASP 11 HB2 ASP 11 -7.794 2.533 -1.061
72 HB3 ASP 11 HB1 ASP 11 -6.676 1.179 -1.126
73 H HIS 12 HN HIS 12 -5.819 -0.247 0.547
74 HA HIS 12 HA HIS 12 -7.212 -2.604 1.616
75 HB2 HIS 12 HB2 HIS 12 -5.521 -2.551 -0.889
76 HB3 HIS 12 HB1 HIS 12 -5.991 -4.030 -0.057
77 HD1 HIS 12 HD1 HIS 12 -8.695 -4.366 0.157
78 HD2 HIS 12 HD2 HIS 12 -7.310 -1.683 -2.706
79 HE1 HIS 12 HE1 HIS 12 -10.649 -3.927 -1.371
80 HE2 HIS 12 HE2 HIS 12 -9.854 -2.062 -2.871
81 HA PRO 13 HA PRO 13 -3.149 -1.876 3.769
82 HB2 PRO 13 HB2 PRO 13 -4.153 -2.408 6.251
83 HB3 PRO 13 HB1 PRO 13 -4.156 -0.794 5.531
84 HG2 PRO 13 HG2 PRO 13 -6.367 -2.803 5.695
85 HG3 PRO 13 HG1 PRO 13 -6.427 -1.049 5.943
86 HD2 PRO 13 HD2 PRO 13 -7.234 -2.212 3.642
87 HD3 PRO 13 HD1 PRO 13 -6.482 -0.604 3.678
88 H GLU 14 HN GLU 14 -5.457 -4.327 3.408
89 HA GLU 14 HA GLU 14 -4.458 -6.444 4.914
90 HB2 GLU 14 HB2 GLU 14 -5.652 -7.854 3.193
91 HB3 GLU 14 HB1 GLU 14 -6.628 -6.590 3.935
92 HG2 GLU 14 HG2 GLU 14 -5.997 -5.165 1.909
93 HG3 GLU 14 HG1 GLU 14 -5.456 -6.672 1.176
94 H ILE 15 HN ILE 15 -3.753 -5.569 1.536
95 HA ILE 15 HA ILE 15 -1.962 -7.683 1.034
96 HB ILE 15 HB ILE 15 -2.125 -4.977 -0.303
97 HG12 ILE 15 HG12 ILE 15 -3.387 -7.635 -1.022
98 HG13 ILE 15 HG11 ILE 15 -4.235 -6.232 -0.382
99 HG21 ILE 15 HG21 ILE 15 -1.014 -7.483 -1.525
100 HG22 ILE 15 HG22 ILE 15 0.003 -6.369 -0.611
101 HG23 ILE 15 HG23 ILE 15 -0.831 -5.812 -2.062
102 HD11 ILE 15 HD11 ILE 15 -4.201 -6.786 -2.953
103 HD12 ILE 15 HD12 ILE 15 -2.681 -5.895 -2.884
104 HD13 ILE 15 HD13 ILE 15 -4.180 -5.124 -2.365
105 H CYS 16 HN CYS 16 -1.379 -4.297 1.899
106 HA CYS 16 HA CYS 16 1.438 -4.522 1.970
107 HB2 CYS 16 HB2 CYS 16 -0.244 -2.494 3.444
108 HB3 CYS 16 HB1 CYS 16 1.410 -2.306 2.867
109 H GLY 17 HN GLY 17 -1.073 -5.090 4.324
110 HA2 GLY 17 HA2 GLY 17 0.589 -5.076 6.630
111 HA3 GLY 17 HA1 GLY 17 -1.030 -5.743 6.518
112 H GLY 18 HN GLY 18 -0.695 -7.767 4.640
113 HA2 GLY 18 HA2 GLY 18 1.594 -9.365 5.356
114 HA3 GLY 18 HA1 GLY 18 0.115 -9.899 6.136
115 H ALA 19 HN ALA 19 0.769 -8.680 2.861
116 HA ALA 19 HA ALA 19 0.234 -11.299 1.732
117 HB1 ALA 19 HB1 ALA 19 -1.405 -9.200 0.470
118 HB2 ALA 19 HB2 ALA 19 -1.939 -9.725 2.066
119 HB3 ALA 19 HB3 ALA 19 -1.767 -10.901 0.764
120 H ALA 20 HN ALA 20 2.584 -10.070 1.752
121 HA ALA 20 HA ALA 20 3.146 -8.268 -0.321
122 HB1 ALA 20 HB1 ALA 20 4.873 -8.356 1.163
123 HB2 ALA 20 HB2 ALA 20 5.506 -9.439 -0.076
124 HB3 ALA 20 HB3 ALA 20 4.751 -10.102 1.374
125 H GLY 21 HN GLY 21 3.383 -8.494 -2.428
126 HA2 GLY 21 HA2 GLY 21 4.434 -10.607 -3.851
127 HA3 GLY 21 HA1 GLY 21 2.706 -10.924 -3.741
128 H GLY 22 HN GLY 22 1.682 -8.398 -3.857
129 HA2 GLY 22 HA2 GLY 22 2.730 -6.795 -5.943
130 HA3 GLY 22 HA1 GLY 22 1.493 -7.878 -6.573
Start of MODEL 10
1 H1 GLY 1 HN GLY 1 5.276 -5.365 -5.270
2 HA2 GLY 1 HA2 GLY 1 3.184 -5.288 -6.215
3 HA3 GLY 1 HA1 GLY 1 2.621 -4.738 -4.641
4 H HIS 2 HN HIS 2 1.781 -2.782 -4.539
5 HA HIS 2 HA HIS 2 2.768 -0.633 -6.215
6 HB2 HIS 2 HB2 HIS 2 -0.029 -1.739 -6.449
7 HB3 HIS 2 HB1 HIS 2 0.307 -0.049 -6.803
8 HD1 HIS 2 HD1 HIS 2 2.591 0.047 -8.577
9 HD2 HIS 2 HD2 HIS 2 -0.052 -3.158 -8.734
10 HE1 HIS 2 HE1 HIS 2 2.904 -0.972 -10.853
11 HE2 HIS 2 HE2 HIS 2 1.386 -2.984 -10.878
12 H CYS 3 HN CYS 3 2.723 -1.392 -3.421
13 HA CYS 3 HA CYS 3 0.793 0.264 -2.086
14 HB2 CYS 3 HB2 CYS 3 3.262 -1.016 -0.917
15 HB3 CYS 3 HB1 CYS 3 1.808 -0.509 -0.060
16 H SER 4 HN SER 4 2.556 1.607 -3.974
17 HA SER 4 HA SER 4 4.413 3.187 -2.447
18 HB2 SER 4 HB2 SER 4 3.337 3.788 -5.210
19 HB3 SER 4 HB1 SER 4 4.873 4.303 -4.513
20 HG SER 4 HG SER 4 5.715 2.373 -4.877
21 H ASP 5 HN ASP 5 1.161 3.363 -3.623
22 HA ASP 5 HA ASP 5 0.692 6.111 -2.990
23 HB2 ASP 5 HB2 ASP 5 -0.563 4.937 -4.747
24 HB3 ASP 5 HB1 ASP 5 -1.204 3.813 -3.557
25 HA PRO 6 HA PRO 6 0.408 5.460 1.424
26 HB2 PRO 6 HB2 PRO 6 -0.914 7.840 1.942
27 HB3 PRO 6 HB1 PRO 6 0.837 7.656 1.816
28 HG2 PRO 6 HG2 PRO 6 -1.122 8.612 -0.226
29 HG3 PRO 6 HG1 PRO 6 0.513 9.201 0.125
30 HD2 PRO 6 HD2 PRO 6 0.014 7.635 -1.993
31 HD3 PRO 6 HD1 PRO 6 1.522 7.485 -1.067
32 H ARG 7 HN ARG 7 -2.371 6.610 -0.429
33 HA ARG 7 HA ARG 7 -4.320 5.869 1.490
34 HB2 ARG 7 HB2 ARG 7 -5.063 7.493 0.018
35 HB3 ARG 7 HB1 ARG 7 -4.340 6.718 -1.376
36 HG2 ARG 7 HG2 ARG 7 -6.645 5.398 -0.013
37 HG3 ARG 7 HG1 ARG 7 -6.933 6.781 -1.073
38 HD2 ARG 7 HD2 ARG 7 -5.717 4.115 -1.759
39 HD3 ARG 7 HD1 ARG 7 -7.146 4.882 -2.456
40 HE ARG 7 HE ARG 7 -4.351 5.460 -3.075
41 HH11 ARG 7 HH11 ARG 7 -7.725 6.271 -3.544
42 HH12 ARG 7 HH12 ARG 7 -7.415 7.337 -4.873
43 HH21 ARG 7 HH21 ARG 7 -3.916 6.858 -4.796
44 HH22 ARG 7 HH22 ARG 7 -5.234 7.672 -5.597
45 H PHE 8 HN PHE 8 -2.933 4.266 -1.334
46 HA PHE 8 HA PHE 8 -4.639 2.070 -1.510
47 HB2 PHE 8 HB2 PHE 8 -2.841 2.659 -3.150
48 HB3 PHE 8 HB1 PHE 8 -1.657 2.016 -2.018
49 HD1 PHE 8 HD1 PHE 8 -4.981 0.796 -3.194
50 HD2 PHE 8 HD2 PHE 8 -0.811 0.022 -2.816
51 HE1 PHE 8 HE1 PHE 8 -5.313 -1.452 -4.135
52 HE2 PHE 8 HE2 PHE 8 -1.138 -2.224 -3.755
53 HZ PHE 8 HZ PHE 8 -3.390 -2.964 -4.418
54 H ASN 9 HN ASN 9 -1.813 2.543 0.548
55 HA ASN 9 HA ASN 9 -1.608 -0.046 1.595
56 HB2 ASN 9 HB2 ASN 9 -0.856 2.659 2.694
57 HB3 ASN 9 HB1 ASN 9 -0.571 1.183 3.608
58 HD21 ASN 9 HD21 ASN 9 0.638 3.277 1.278
59 HD22 ASN 9 HD22 ASN 9 1.955 2.307 0.719
60 H TYR 10 HN TYR 10 -3.526 2.726 2.649
61 HA TYR 10 HA TYR 10 -4.649 1.334 4.905
62 HB2 TYR 10 HB2 TYR 10 -4.328 3.771 4.946
63 HB3 TYR 10 HB1 TYR 10 -5.446 3.947 3.598
64 HD1 TYR 10 HD1 TYR 10 -5.575 2.048 6.822
65 HD2 TYR 10 HD2 TYR 10 -7.403 4.933 4.286
66 HE1 TYR 10 HE1 TYR 10 -7.452 2.237 8.400
67 HE2 TYR 10 HE2 TYR 10 -9.285 5.131 5.858
68 HH TYR 10 HH TYR 10 -10.168 3.106 7.932
69 H ASP 11 HN ASP 11 -5.592 2.129 1.634
70 HA ASP 11 HA ASP 11 -8.301 1.459 1.691
71 HB2 ASP 11 HB2 ASP 11 -7.165 2.668 -0.156
72 HB3 ASP 11 HB1 ASP 11 -6.353 1.175 -0.611
73 H HIS 12 HN HIS 12 -5.437 -0.545 1.211
74 HA HIS 12 HA HIS 12 -7.168 -2.894 1.523
75 HB2 HIS 12 HB2 HIS 12 -5.061 -2.463 -0.574
76 HB3 HIS 12 HB1 HIS 12 -5.534 -4.085 -0.069
77 HD1 HIS 12 HD1 HIS 12 -8.219 -4.566 -0.291
78 HD2 HIS 12 HD2 HIS 12 -6.649 -1.391 -2.475
79 HE1 HIS 12 HE1 HIS 12 -9.980 -3.964 -1.987
80 HE2 HIS 12 HE2 HIS 12 -9.116 -1.850 -3.057
81 HA PRO 13 HA PRO 13 -3.887 -2.985 4.748
82 HB2 PRO 13 HB2 PRO 13 -5.526 -4.251 6.546
83 HB3 PRO 13 HB1 PRO 13 -5.400 -2.496 6.391
84 HG2 PRO 13 HG2 PRO 13 -7.462 -4.354 5.282
85 HG3 PRO 13 HG1 PRO 13 -7.672 -2.751 6.012
86 HD2 PRO 13 HD2 PRO 13 -7.722 -3.124 3.344
87 HD3 PRO 13 HD1 PRO 13 -7.059 -1.649 4.077
88 H GLU 14 HN GLU 14 -6.033 -5.377 3.360
89 HA GLU 14 HA GLU 14 -4.774 -7.681 4.432
90 HB2 GLU 14 HB2 GLU 14 -6.037 -8.948 2.831
91 HB3 GLU 14 HB1 GLU 14 -7.066 -7.653 3.415
92 HG2 GLU 14 HG2 GLU 14 -5.519 -7.249 0.901
93 HG3 GLU 14 HG1 GLU 14 -6.955 -8.265 0.871
94 H ILE 15 HN ILE 15 -4.187 -5.680 1.628
95 HA ILE 15 HA ILE 15 -2.211 -7.485 0.532
96 HB ILE 15 HB ILE 15 -2.924 -4.665 -0.297
97 HG12 ILE 15 HG12 ILE 15 -3.755 -7.328 -1.477
98 HG13 ILE 15 HG11 ILE 15 -4.791 -6.271 -0.523
99 HG21 ILE 15 HG21 ILE 15 -1.490 -4.831 -2.060
100 HG22 ILE 15 HG22 ILE 15 -1.622 -6.588 -2.146
101 HG23 ILE 15 HG23 ILE 15 -0.619 -5.839 -0.904
102 HD11 ILE 15 HD11 ILE 15 -5.081 -4.793 -2.227
103 HD12 ILE 15 HD12 ILE 15 -4.854 -6.277 -3.153
104 HD13 ILE 15 HD13 ILE 15 -3.514 -5.148 -2.954
105 H CYS 16 HN CYS 16 -2.226 -4.251 2.022
106 HA CYS 16 HA CYS 16 0.277 -4.701 3.302
107 HB2 CYS 16 HB2 CYS 16 1.426 -2.757 2.080
108 HB3 CYS 16 HB1 CYS 16 1.346 -4.306 1.250
109 H GLY 17 HN GLY 17 -1.619 -4.115 4.776
110 HA2 GLY 17 HA2 GLY 17 -2.450 -1.386 4.916
111 HA3 GLY 17 HA1 GLY 17 -2.706 -2.613 6.142
112 H GLY 18 HN GLY 18 0.145 -0.967 4.759
113 HA2 GLY 18 HA2 GLY 18 0.868 0.719 6.718
114 HA3 GLY 18 HA1 GLY 18 1.350 -0.829 7.398
115 H ALA 19 HN ALA 19 2.316 -2.178 5.267
116 HA ALA 19 HA ALA 19 4.084 -0.682 3.625
117 HB1 ALA 19 HB1 ALA 19 6.159 -1.794 4.794
118 HB2 ALA 19 HB2 ALA 19 5.118 -1.743 6.217
119 HB3 ALA 19 HB3 ALA 19 5.525 -0.251 5.368
120 H ALA 20 HN ALA 20 5.629 -2.166 2.481
121 HA ALA 20 HA ALA 20 5.239 -4.990 2.605
122 HB1 ALA 20 HB1 ALA 20 4.141 -5.338 0.485
123 HB2 ALA 20 HB2 ALA 20 4.077 -3.600 0.192
124 HB3 ALA 20 HB3 ALA 20 3.125 -4.308 1.496
125 H GLY 21 HN GLY 21 6.191 -2.241 0.586
126 HA2 GLY 21 HA2 GLY 21 8.239 -1.795 -0.394
127 HA3 GLY 21 HA1 GLY 21 8.854 -3.286 0.304
128 H GLY 22 HN GLY 22 6.006 -3.051 -1.716
129 HA2 GLY 22 HA2 GLY 22 7.211 -3.657 -4.183
130 HA3 GLY 22 HA1 GLY 22 6.717 -5.155 -3.402
Start of MODEL 11
1 H1 GLY 1 HN GLY 1 3.565 -5.564 -3.905
2 HA2 GLY 1 HA2 GLY 1 0.948 -5.745 -5.017
3 HA3 GLY 1 HA1 GLY 1 0.911 -4.990 -3.428
4 H HIS 2 HN HIS 2 0.567 -2.902 -3.808
5 HA HIS 2 HA HIS 2 2.599 -1.398 -5.236
6 HB2 HIS 2 HB2 HIS 2 -0.246 -1.623 -6.164
7 HB3 HIS 2 HB1 HIS 2 0.613 -0.106 -6.386
8 HD1 HIS 2 HD1 HIS 2 3.139 -0.603 -7.603
9 HD2 HIS 2 HD2 HIS 2 -0.019 -3.207 -8.325
10 HE1 HIS 2 HE1 HIS 2 3.741 -1.820 -9.718
11 HE2 HIS 2 HE2 HIS 2 1.880 -3.484 -10.058
12 H CYS 3 HN CYS 3 2.075 -1.552 -2.546
13 HA CYS 3 HA CYS 3 0.356 0.570 -1.687
14 HB2 CYS 3 HB2 CYS 3 2.447 -0.973 -0.149
15 HB3 CYS 3 HB1 CYS 3 1.177 0.033 0.546
16 H SER 4 HN SER 4 2.190 1.572 -3.525
17 HA SER 4 HA SER 4 4.293 2.941 -2.105
18 HB2 SER 4 HB2 SER 4 4.414 4.148 -4.426
19 HB3 SER 4 HB1 SER 4 4.907 2.458 -4.306
20 HG SER 4 HG SER 4 2.781 3.584 -5.635
21 H ASP 5 HN ASP 5 1.120 3.617 -3.412
22 HA ASP 5 HA ASP 5 1.208 6.411 -2.662
23 HB2 ASP 5 HB2 ASP 5 0.038 5.677 -4.725
24 HB3 ASP 5 HB1 ASP 5 -1.086 4.749 -3.741
25 HA PRO 6 HA PRO 6 -0.118 5.855 1.524
26 HB2 PRO 6 HB2 PRO 6 -1.533 8.240 1.728
27 HB3 PRO 6 HB1 PRO 6 0.198 8.043 2.009
28 HG2 PRO 6 HG2 PRO 6 -1.229 9.006 -0.429
29 HG3 PRO 6 HG1 PRO 6 0.293 9.575 0.282
30 HD2 PRO 6 HD2 PRO 6 0.277 8.011 -1.887
31 HD3 PRO 6 HD1 PRO 6 1.515 7.819 -0.627
32 H ARG 7 HN ARG 7 -2.501 6.781 -0.947
33 HA ARG 7 HA ARG 7 -4.791 6.222 0.646
34 HB2 ARG 7 HB2 ARG 7 -4.339 6.541 -2.300
35 HB3 ARG 7 HB1 ARG 7 -5.877 5.926 -1.717
36 HG2 ARG 7 HG2 ARG 7 -6.164 8.234 -2.025
37 HG3 ARG 7 HG1 ARG 7 -6.026 7.993 -0.285
38 HD2 ARG 7 HD2 ARG 7 -4.737 9.932 -0.985
39 HD3 ARG 7 HD1 ARG 7 -3.670 8.661 -0.387
40 HE ARG 7 HE ARG 7 -2.805 8.383 -2.506
41 HH11 ARG 7 HH11 ARG 7 -5.534 10.588 -2.637
42 HH12 ARG 7 HH12 ARG 7 -5.264 11.018 -4.291
43 HH21 ARG 7 HH21 ARG 7 -2.449 8.919 -4.664
44 HH22 ARG 7 HH22 ARG 7 -3.496 10.066 -5.455
45 H PHE 8 HN PHE 8 -3.108 4.342 -1.843
46 HA PHE 8 HA PHE 8 -4.688 2.072 -1.856
47 HB2 PHE 8 HB2 PHE 8 -2.703 2.615 -3.358
48 HB3 PHE 8 HB1 PHE 8 -1.681 1.974 -2.075
49 HD1 PHE 8 HD1 PHE 8 -4.605 1.043 -4.185
50 HD2 PHE 8 HD2 PHE 8 -1.163 -0.278 -2.064
51 HE1 PHE 8 HE1 PHE 8 -4.933 -1.228 -5.071
52 HE2 PHE 8 HE2 PHE 8 -1.481 -2.548 -2.950
53 HZ PHE 8 HZ PHE 8 -3.365 -3.025 -4.459
54 H ASN 9 HN ASN 9 -2.162 2.983 0.399
55 HA ASN 9 HA ASN 9 -1.891 0.539 1.760
56 HB2 ASN 9 HB2 ASN 9 -1.328 3.398 2.465
57 HB3 ASN 9 HB1 ASN 9 -1.199 2.155 3.705
58 HD21 ASN 9 HD21 ASN 9 0.345 3.702 1.133
59 HD22 ASN 9 HD22 ASN 9 1.724 2.664 1.016
60 H TYR 10 HN TYR 10 -4.138 3.211 2.159
61 HA TYR 10 HA TYR 10 -5.356 2.066 4.516
62 HB2 TYR 10 HB2 TYR 10 -5.209 4.508 4.249
63 HB3 TYR 10 HB1 TYR 10 -6.192 4.412 2.793
64 HD1 TYR 10 HD2 TYR 10 -6.522 2.937 6.216
65 HD2 TYR 10 HD1 TYR 10 -8.267 5.330 3.163
66 HE1 TYR 10 HE2 TYR 10 -8.555 3.182 7.579
67 HE2 TYR 10 HE1 TYR 10 -10.304 5.584 4.517
68 HH TYR 10 HH TYR 10 -11.440 4.168 6.413
69 H ASP 11 HN ASP 11 -6.078 2.441 1.098
70 HA ASP 11 HA ASP 11 -8.704 1.449 1.090
71 HB2 ASP 11 HB2 ASP 11 -6.586 1.466 -1.065
72 HB3 ASP 11 HB1 ASP 11 -8.249 0.972 -1.346
73 H HIS 12 HN HIS 12 -5.599 -0.178 0.982
74 HA HIS 12 HA HIS 12 -6.992 -2.738 1.298
75 HB2 HIS 12 HB2 HIS 12 -4.963 -2.065 -0.814
76 HB3 HIS 12 HB1 HIS 12 -5.163 -3.721 -0.247
77 HD1 HIS 12 HD1 HIS 12 -7.696 -4.674 -0.468
78 HD2 HIS 12 HD2 HIS 12 -6.710 -1.340 -2.765
79 HE1 HIS 12 HE1 HIS 12 -9.487 -4.504 -2.234
80 HE2 HIS 12 HE2 HIS 12 -8.981 -2.361 -3.462
81 HA PRO 13 HA PRO 13 -3.531 -2.093 4.357
82 HB2 PRO 13 HB2 PRO 13 -4.994 -2.966 6.493
83 HB3 PRO 13 HB1 PRO 13 -4.927 -1.277 5.977
84 HG2 PRO 13 HG2 PRO 13 -7.020 -3.343 5.435
85 HG3 PRO 13 HG1 PRO 13 -7.216 -1.631 5.856
86 HD2 PRO 13 HD2 PRO 13 -7.462 -2.528 3.323
87 HD3 PRO 13 HD1 PRO 13 -6.803 -0.923 3.699
88 H GLU 14 HN GLU 14 -5.771 -4.708 3.652
89 HA GLU 14 HA GLU 14 -4.379 -6.731 5.063
90 HB2 GLU 14 HB2 GLU 14 -5.777 -8.301 3.962
91 HB3 GLU 14 HB1 GLU 14 -6.760 -6.875 4.238
92 HG2 GLU 14 HG2 GLU 14 -5.413 -7.438 1.613
93 HG3 GLU 14 HG1 GLU 14 -7.019 -8.033 2.010
94 H ILE 15 HN ILE 15 -4.110 -5.470 1.789
95 HA ILE 15 HA ILE 15 -2.241 -7.452 0.911
96 HB ILE 15 HB ILE 15 -2.813 -4.712 -0.238
97 HG12 ILE 15 HG12 ILE 15 -3.880 -7.432 -1.035
98 HG13 ILE 15 HG11 ILE 15 -4.791 -6.190 -0.181
99 HG21 ILE 15 HG21 ILE 15 -1.796 -5.570 -2.289
100 HG22 ILE 15 HG22 ILE 15 -1.411 -7.083 -1.470
101 HG23 ILE 15 HG23 ILE 15 -0.647 -5.581 -0.952
102 HD11 ILE 15 HD11 ILE 15 -5.511 -5.784 -2.288
103 HD12 ILE 15 HD12 ILE 15 -4.020 -6.364 -3.031
104 HD13 ILE 15 HD13 ILE 15 -4.075 -4.760 -2.298
105 H CYS 16 HN CYS 16 -1.988 -4.082 1.960
106 HA CYS 16 HA CYS 16 0.812 -3.891 1.709
107 HB2 CYS 16 HB2 CYS 16 -1.037 -2.290 3.484
108 HB3 CYS 16 HB1 CYS 16 0.581 -1.819 2.969
109 H GLY 17 HN GLY 17 -1.254 -4.793 4.436
110 HA2 GLY 17 HA2 GLY 17 0.999 -4.936 6.243
111 HA3 GLY 17 HA1 GLY 17 -0.665 -5.356 6.610
112 H GLY 18 HN GLY 18 -1.123 -7.289 4.628
113 HA2 GLY 18 HA2 GLY 18 0.134 -9.530 5.887
114 HA3 GLY 18 HA1 GLY 18 -1.022 -9.589 4.570
115 H ALA 19 HN ALA 19 0.197 -8.347 2.518
116 HA ALA 19 HA ALA 19 2.334 -10.220 1.919
117 HB1 ALA 19 HB1 ALA 19 2.066 -8.830 -0.366
118 HB2 ALA 19 HB2 ALA 19 0.473 -8.565 0.343
119 HB3 ALA 19 HB3 ALA 19 1.052 -10.207 0.064
120 H ALA 20 HN ALA 20 1.823 -6.723 1.835
121 HA ALA 20 HA ALA 20 3.202 -4.938 2.021
122 HB1 ALA 20 HB1 ALA 20 5.631 -5.624 2.936
123 HB2 ALA 20 HB2 ALA 20 4.708 -7.039 3.443
124 HB3 ALA 20 HB3 ALA 20 4.218 -5.430 3.975
125 H GLY 21 HN GLY 21 5.649 -7.392 1.218
126 HA2 GLY 21 HA2 GLY 21 6.576 -5.741 -0.992
127 HA3 GLY 21 HA1 GLY 21 7.334 -7.209 -0.394
128 H GLY 22 HN GLY 22 4.040 -6.565 -1.543
129 HA2 GLY 22 HA2 GLY 22 4.442 -8.027 -3.985
130 HA3 GLY 22 HA1 GLY 22 3.541 -8.940 -2.780
Start of MODEL 12
1 H1 GLY 1 HN GLY 1 3.714 -6.096 -4.348
2 HA2 GLY 1 HA2 GLY 1 1.664 -5.461 -5.162
3 HA3 GLY 1 HA1 GLY 1 1.374 -4.706 -3.600
4 H HIS 2 HN HIS 2 0.952 -2.633 -3.733
5 HA HIS 2 HA HIS 2 2.595 -0.877 -5.343
6 HB2 HIS 2 HB2 HIS 2 0.532 -1.759 -6.728
7 HB3 HIS 2 HB1 HIS 2 -0.374 -0.626 -5.735
8 HD1 HIS 2 HD1 HIS 2 0.655 1.972 -5.851
9 HD2 HIS 2 HD2 HIS 2 1.560 -0.649 -8.966
10 HE1 HIS 2 HE1 HIS 2 1.406 3.416 -7.762
11 HE2 HIS 2 HE2 HIS 2 2.011 1.815 -9.608
12 H CYS 3 HN CYS 3 2.300 -1.309 -2.612
13 HA CYS 3 HA CYS 3 0.498 0.600 -1.478
14 HB2 CYS 3 HB2 CYS 3 2.799 -0.880 -0.199
15 HB3 CYS 3 HB1 CYS 3 1.503 -0.037 0.649
16 H SER 4 HN SER 4 2.428 1.644 -3.395
17 HA SER 4 HA SER 4 4.314 3.231 -1.912
18 HB2 SER 4 HB2 SER 4 3.381 3.644 -4.767
19 HB3 SER 4 HB1 SER 4 4.905 4.167 -4.045
20 HG SER 4 HG SER 4 5.499 1.981 -3.859
21 H ASP 5 HN ASP 5 1.185 3.542 -3.433
22 HA ASP 5 HA ASP 5 0.827 6.321 -2.906
23 HB2 ASP 5 HB2 ASP 5 -1.564 4.554 -3.144
24 HB3 ASP 5 HB1 ASP 5 -1.266 6.122 -3.865
25 HA PRO 6 HA PRO 6 -0.100 5.821 1.456
26 HB2 PRO 6 HB2 PRO 6 -1.435 8.227 1.735
27 HB3 PRO 6 HB1 PRO 6 0.318 8.043 1.834
28 HG2 PRO 6 HG2 PRO 6 -1.368 8.956 -0.456
29 HG3 PRO 6 HG1 PRO 6 0.213 9.551 0.082
30 HD2 PRO 6 HD2 PRO 6 -0.050 7.925 -2.049
31 HD3 PRO 6 HD1 PRO 6 1.356 7.834 -0.967
32 H ARG 7 HN ARG 7 -2.300 6.658 -1.061
33 HA ARG 7 HA ARG 7 -4.765 6.310 0.262
34 HB2 ARG 7 HB2 ARG 7 -4.675 7.547 -1.778
35 HB3 ARG 7 HB1 ARG 7 -3.923 6.209 -2.632
36 HG2 ARG 7 HG2 ARG 7 -6.110 4.946 -2.093
37 HG3 ARG 7 HG1 ARG 7 -6.768 6.558 -1.803
38 HD2 ARG 7 HD2 ARG 7 -7.128 5.750 -4.120
39 HD3 ARG 7 HD1 ARG 7 -6.206 7.249 -4.035
40 HE ARG 7 HE ARG 7 -4.481 6.173 -5.059
41 HH11 ARG 7 HH11 ARG 7 -6.486 3.717 -3.525
42 HH12 ARG 7 HH12 ARG 7 -5.571 2.404 -4.198
43 HH21 ARG 7 HH21 ARG 7 -3.243 4.424 -5.877
44 HH22 ARG 7 HH22 ARG 7 -3.744 2.801 -5.523
45 H PHE 8 HN PHE 8 -2.905 4.123 -1.879
46 HA PHE 8 HA PHE 8 -4.670 1.963 -1.811
47 HB2 PHE 8 HB2 PHE 8 -2.719 2.223 -3.369
48 HB3 PHE 8 HB1 PHE 8 -1.664 1.748 -2.042
49 HD1 PHE 8 HD2 PHE 8 -4.949 0.435 -3.239
50 HD2 PHE 8 HD1 PHE 8 -0.844 -0.365 -2.453
51 HE1 PHE 8 HE2 PHE 8 -5.303 -1.929 -3.814
52 HE2 PHE 8 HE1 PHE 8 -1.193 -2.729 -3.025
53 HZ PHE 8 HZ PHE 8 -3.422 -3.515 -3.709
54 H ASN 9 HN ASN 9 -2.109 2.868 0.419
55 HA ASN 9 HA ASN 9 -2.002 0.506 1.929
56 HB2 ASN 9 HB2 ASN 9 -1.390 3.383 2.574
57 HB3 ASN 9 HB1 ASN 9 -1.262 2.131 3.805
58 HD21 ASN 9 HD21 ASN 9 0.326 3.739 1.346
59 HD22 ASN 9 HD22 ASN 9 1.679 2.678 1.166
60 H TYR 10 HN TYR 10 -4.190 3.230 2.000
61 HA TYR 10 HA TYR 10 -5.530 2.351 4.401
62 HB2 TYR 10 HB2 TYR 10 -5.333 4.750 3.886
63 HB3 TYR 10 HB1 TYR 10 -6.258 4.512 2.408
64 HD1 TYR 10 HD2 TYR 10 -6.744 3.401 5.948
65 HD2 TYR 10 HD1 TYR 10 -8.335 5.487 2.600
66 HE1 TYR 10 HE2 TYR 10 -8.825 3.804 7.195
67 HE2 TYR 10 HE1 TYR 10 -10.420 5.898 3.838
68 HH TYR 10 HH TYR 10 -11.623 4.583 5.900
69 H ASP 11 HN ASP 11 -6.164 2.426 0.918
70 HA ASP 11 HA ASP 11 -8.784 1.411 0.971
71 HB2 ASP 11 HB2 ASP 11 -6.663 1.216 -1.174
72 HB3 ASP 11 HB1 ASP 11 -8.322 0.684 -1.398
73 H HIS 12 HN HIS 12 -5.658 -0.200 0.975
74 HA HIS 12 HA HIS 12 -7.032 -2.717 1.563
75 HB2 HIS 12 HB2 HIS 12 -5.186 -2.200 -0.735
76 HB3 HIS 12 HB1 HIS 12 -5.242 -3.801 0.002
77 HD1 HIS 12 HD1 HIS 12 -7.731 -4.863 0.133
78 HD2 HIS 12 HD2 HIS 12 -7.127 -1.771 -2.587
79 HE1 HIS 12 HE1 HIS 12 -9.680 -4.973 -1.467
80 HE2 HIS 12 HE2 HIS 12 -9.399 -2.956 -2.954
81 HA PRO 13 HA PRO 13 -3.449 -1.912 4.401
82 HB2 PRO 13 HB2 PRO 13 -4.799 -2.734 6.631
83 HB3 PRO 13 HB1 PRO 13 -4.788 -1.066 6.052
84 HG2 PRO 13 HG2 PRO 13 -6.863 -3.189 5.686
85 HG3 PRO 13 HG1 PRO 13 -7.073 -1.465 6.041
86 HD2 PRO 13 HD2 PRO 13 -7.410 -2.482 3.562
87 HD3 PRO 13 HD1 PRO 13 -6.779 -0.845 3.838
88 H GLU 14 HN GLU 14 -5.733 -4.608 4.101
89 HA GLU 14 HA GLU 14 -4.090 -6.505 5.413
90 HB2 GLU 14 HB2 GLU 14 -5.587 -8.192 4.615
91 HB3 GLU 14 HB1 GLU 14 -6.535 -6.793 5.078
92 HG2 GLU 14 HG2 GLU 14 -5.837 -7.621 2.270
93 HG3 GLU 14 HG1 GLU 14 -7.398 -7.813 3.061
94 H ILE 15 HN ILE 15 -4.384 -5.555 2.012
95 HA ILE 15 HA ILE 15 -2.693 -7.582 0.982
96 HB ILE 15 HB ILE 15 -3.324 -4.831 -0.104
97 HG12 ILE 15 HG12 ILE 15 -4.337 -7.585 -0.851
98 HG13 ILE 15 HG11 ILE 15 -5.245 -6.351 0.016
99 HG21 ILE 15 HG21 ILE 15 -1.992 -5.149 -1.884
100 HG22 ILE 15 HG22 ILE 15 -2.349 -6.874 -1.972
101 HG23 ILE 15 HG23 ILE 15 -1.143 -6.280 -0.830
102 HD11 ILE 15 HD11 ILE 15 -6.051 -6.109 -2.112
103 HD12 ILE 15 HD12 ILE 15 -4.500 -6.485 -2.862
104 HD13 ILE 15 HD13 ILE 15 -4.755 -4.912 -2.103
105 H CYS 16 HN CYS 16 -2.087 -4.230 1.958
106 HA CYS 16 HA CYS 16 0.675 -4.245 1.414
107 HB2 CYS 16 HB2 CYS 16 -0.961 -2.541 3.298
108 HB3 CYS 16 HB1 CYS 16 0.728 -2.230 2.892
109 H GLY 17 HN GLY 17 -1.157 -4.965 4.359
110 HA2 GLY 17 HA2 GLY 17 1.099 -5.292 6.045
111 HA3 GLY 17 HA1 GLY 17 -0.514 -5.920 6.345
112 H GLY 18 HN GLY 18 -0.793 -7.586 4.117
113 HA2 GLY 18 HA2 GLY 18 0.543 -9.910 5.033
114 HA3 GLY 18 HA1 GLY 18 -0.413 -9.782 3.566
115 H ALA 19 HN ALA 19 1.050 -7.856 2.184
116 HA ALA 19 HA ALA 19 3.139 -9.468 1.110
117 HB1 ALA 19 HB1 ALA 19 3.307 -7.902 -0.577
118 HB2 ALA 19 HB2 ALA 19 2.889 -6.557 0.485
119 HB3 ALA 19 HB3 ALA 19 1.639 -7.681 -0.048
120 H ALA 20 HN ALA 20 3.056 -6.515 3.038
121 HA ALA 20 HA ALA 20 4.592 -5.402 4.270
122 HB1 ALA 20 HB1 ALA 20 4.828 -8.101 4.911
123 HB2 ALA 20 HB2 ALA 20 5.386 -6.725 5.863
124 HB3 ALA 20 HB3 ALA 20 6.486 -7.521 4.739
125 H GLY 21 HN GLY 21 5.059 -5.662 1.331
126 HA2 GLY 21 HA2 GLY 21 7.175 -4.081 0.904
127 HA3 GLY 21 HA1 GLY 21 7.953 -5.643 1.106
128 H GLY 22 HN GLY 22 4.995 -4.557 -0.592
129 HA2 GLY 22 HA2 GLY 22 6.084 -4.919 -3.168
130 HA3 GLY 22 HA1 GLY 22 5.234 -6.380 -2.692
Start of MODEL 13
1 H1 GLY 1 HN GLY 1 3.195 -4.314 -3.222
2 HA2 GLY 1 HA2 GLY 1 1.591 -4.529 -5.598
3 HA3 GLY 1 HA1 GLY 1 0.640 -4.281 -4.141
4 H HIS 2 HN HIS 2 -0.074 -2.255 -4.865
5 HA HIS 2 HA HIS 2 1.833 -0.170 -5.469
6 HB2 HIS 2 HB2 HIS 2 -0.517 -0.440 -6.477
7 HB3 HIS 2 HB1 HIS 2 -1.119 0.203 -4.956
8 HD1 HIS 2 HD1 HIS 2 -2.019 2.017 -6.871
9 HD2 HIS 2 HD2 HIS 2 1.992 2.142 -5.790
10 HE1 HIS 2 HE1 HIS 2 -1.196 4.275 -7.601
11 HE2 HIS 2 HE2 HIS 2 1.153 4.410 -6.709
12 H CYS 3 HN CYS 3 2.375 -1.196 -2.980
13 HA CYS 3 HA CYS 3 1.159 0.128 -0.814
14 HB2 CYS 3 HB2 CYS 3 3.991 -0.916 -0.963
15 HB3 CYS 3 HB1 CYS 3 3.046 -0.636 0.497
16 H SER 4 HN SER 4 3.302 1.265 -3.190
17 HA SER 4 HA SER 4 4.642 3.277 -1.719
18 HB2 SER 4 HB2 SER 4 4.826 4.265 -4.154
19 HB3 SER 4 HB1 SER 4 5.696 2.791 -3.726
20 HG SER 4 HG SER 4 4.656 2.308 -5.587
21 H ASP 5 HN ASP 5 1.477 2.987 -3.030
22 HA ASP 5 HA ASP 5 0.940 5.845 -2.981
23 HB2 ASP 5 HB2 ASP 5 -0.032 4.139 -4.664
24 HB3 ASP 5 HB1 ASP 5 -1.108 3.668 -3.353
25 HA PRO 6 HA PRO 6 -0.072 5.691 1.368
26 HB2 PRO 6 HB2 PRO 6 -1.467 8.226 0.711
27 HB3 PRO 6 HB1 PRO 6 -0.228 7.905 1.929
28 HG2 PRO 6 HG2 PRO 6 0.357 9.249 -0.299
29 HG3 PRO 6 HG1 PRO 6 1.508 8.099 0.408
30 HD2 PRO 6 HD2 PRO 6 -0.292 7.771 -1.959
31 HD3 PRO 6 HD1 PRO 6 1.376 7.209 -1.723
32 H ARG 7 HN ARG 7 -2.404 6.372 -1.177
33 HA ARG 7 HA ARG 7 -4.731 6.043 0.429
34 HB2 ARG 7 HB2 ARG 7 -4.367 5.816 -2.561
35 HB3 ARG 7 HB1 ARG 7 -5.916 5.909 -1.734
36 HG2 ARG 7 HG2 ARG 7 -5.535 8.126 -1.056
37 HG3 ARG 7 HG1 ARG 7 -3.827 8.046 -1.487
38 HD2 ARG 7 HD2 ARG 7 -6.126 7.866 -3.429
39 HD3 ARG 7 HD1 ARG 7 -5.160 9.310 -3.128
40 HE ARG 7 HE ARG 7 -3.439 7.185 -3.812
41 HH11 ARG 7 HH11 ARG 7 -5.875 9.240 -5.268
42 HH12 ARG 7 HH12 ARG 7 -5.185 9.160 -6.852
43 HH21 ARG 7 HH21 ARG 7 -2.521 7.061 -5.887
44 HH22 ARG 7 HH22 ARG 7 -3.266 7.920 -7.209
45 H PHE 8 HN PHE 8 -3.064 3.921 -1.876
46 HA PHE 8 HA PHE 8 -4.755 1.737 -1.769
47 HB2 PHE 8 HB2 PHE 8 -2.815 2.010 -3.325
48 HB3 PHE 8 HB1 PHE 8 -1.748 1.572 -1.995
49 HD1 PHE 8 HD1 PHE 8 -4.873 0.259 -3.566
50 HD2 PHE 8 HD2 PHE 8 -1.019 -0.599 -1.980
51 HE1 PHE 8 HE1 PHE 8 -5.189 -2.122 -4.098
52 HE2 PHE 8 HE2 PHE 8 -1.326 -2.981 -2.513
53 HZ PHE 8 HZ PHE 8 -3.412 -3.745 -3.574
54 H ASN 9 HN ASN 9 -2.164 2.610 0.457
55 HA ASN 9 HA ASN 9 -2.127 0.213 1.933
56 HB2 ASN 9 HB2 ASN 9 -1.375 3.034 2.698
57 HB3 ASN 9 HB1 ASN 9 -1.153 1.660 3.777
58 HD21 ASN 9 HD21 ASN 9 0.393 3.583 1.681
59 HD22 ASN 9 HD22 ASN 9 1.640 2.518 1.134
60 H TYR 10 HN TYR 10 -4.180 3.039 2.103
61 HA TYR 10 HA TYR 10 -5.450 2.178 4.559
62 HB2 TYR 10 HB2 TYR 10 -5.134 4.578 4.099
63 HB3 TYR 10 HB1 TYR 10 -6.139 4.436 2.661
64 HD1 TYR 10 HD1 TYR 10 -6.528 3.246 6.188
65 HD2 TYR 10 HD2 TYR 10 -8.139 5.527 2.980
66 HE1 TYR 10 HE1 TYR 10 -8.524 3.726 7.541
67 HE2 TYR 10 HE2 TYR 10 -10.140 6.015 4.325
68 HH TYR 10 HH TYR 10 -11.342 4.780 6.348
69 H ASP 11 HN ASP 11 -6.225 2.433 1.129
70 HA ASP 11 HA ASP 11 -8.891 1.554 1.234
71 HB2 ASP 11 HB2 ASP 11 -6.846 1.383 -0.989
72 HB3 ASP 11 HB1 ASP 11 -8.549 0.994 -1.195
73 H HIS 12 HN HIS 12 -5.855 -0.197 1.004
74 HA HIS 12 HA HIS 12 -7.275 -2.682 1.595
75 HB2 HIS 12 HB2 HIS 12 -5.565 -2.188 -0.824
76 HB3 HIS 12 HB1 HIS 12 -5.698 -3.805 -0.137
77 HD1 HIS 12 HD1 HIS 12 -8.237 -4.734 0.052
78 HD2 HIS 12 HD2 HIS 12 -7.580 -1.524 -2.524
79 HE1 HIS 12 HE1 HIS 12 -10.267 -4.623 -1.437
80 HE2 HIS 12 HE2 HIS 12 -9.935 -2.548 -2.829
81 HA PRO 13 HA PRO 13 -3.403 -2.033 4.092
82 HB2 PRO 13 HB2 PRO 13 -4.560 -2.712 6.464
83 HB3 PRO 13 HB1 PRO 13 -4.549 -1.065 5.824
84 HG2 PRO 13 HG2 PRO 13 -6.722 -3.118 5.734
85 HG3 PRO 13 HG1 PRO 13 -6.836 -1.379 6.064
86 HD2 PRO 13 HD2 PRO 13 -7.451 -2.439 3.655
87 HD3 PRO 13 HD1 PRO 13 -6.745 -0.820 3.829
88 H GLU 14 HN GLU 14 -5.770 -4.599 3.823
89 HA GLU 14 HA GLU 14 -4.280 -6.583 5.192
90 HB2 GLU 14 HB2 GLU 14 -5.875 -8.147 4.412
91 HB3 GLU 14 HB1 GLU 14 -6.754 -6.656 4.689
92 HG2 GLU 14 HG2 GLU 14 -5.772 -7.476 1.972
93 HG3 GLU 14 HG1 GLU 14 -7.335 -7.971 2.609
94 H ILE 15 HN ILE 15 -4.236 -5.424 1.897
95 HA ILE 15 HA ILE 15 -2.774 -7.639 0.843
96 HB ILE 15 HB ILE 15 -3.144 -4.858 -0.278
97 HG12 ILE 15 HG12 ILE 15 -4.556 -7.471 -0.874
98 HG13 ILE 15 HG11 ILE 15 -5.242 -6.107 0.001
99 HG21 ILE 15 HG21 ILE 15 -1.700 -5.381 -1.881
100 HG22 ILE 15 HG22 ILE 15 -2.656 -6.806 -2.290
101 HG23 ILE 15 HG23 ILE 15 -1.373 -6.922 -1.086
102 HD11 ILE 15 HD11 ILE 15 -6.066 -5.457 -1.953
103 HD12 ILE 15 HD12 ILE 15 -5.039 -6.578 -2.848
104 HD13 ILE 15 HD13 ILE 15 -4.419 -4.994 -2.382
105 H CYS 16 HN CYS 16 -1.808 -4.287 1.624
106 HA CYS 16 HA CYS 16 0.958 -4.932 1.201
107 HB2 CYS 16 HB2 CYS 16 -0.454 -2.445 2.124
108 HB3 CYS 16 HB1 CYS 16 1.305 -2.567 2.118
109 H GLY 17 HN GLY 17 -1.122 -4.522 4.013
110 HA2 GLY 17 HA2 GLY 17 -0.816 -5.265 6.171
111 HA3 GLY 17 HA1 GLY 17 0.686 -6.013 5.656
112 H GLY 18 HN GLY 18 2.261 -4.031 4.895
113 HA2 GLY 18 HA2 GLY 18 2.296 -1.642 6.309
114 HA3 GLY 18 HA1 GLY 18 3.074 -2.838 7.338
115 H ALA 19 HN ALA 19 4.259 -4.392 5.315
116 HA ALA 19 HA ALA 19 5.905 -2.685 3.679
117 HB1 ALA 19 HB1 ALA 19 6.782 -3.297 6.300
118 HB2 ALA 19 HB2 ALA 19 7.670 -2.480 5.014
119 HB3 ALA 19 HB3 ALA 19 7.771 -4.234 5.180
120 H ALA 20 HN ALA 20 6.845 -3.788 2.022
121 HA ALA 20 HA ALA 20 7.178 -5.424 0.492
122 HB1 ALA 20 HB1 ALA 20 8.709 -6.704 1.477
123 HB2 ALA 20 HB2 ALA 20 7.391 -7.811 1.857
124 HB3 ALA 20 HB3 ALA 20 7.900 -6.609 3.042
125 H GLY 21 HN GLY 21 4.508 -4.739 0.991
126 HA2 GLY 21 HA2 GLY 21 2.839 -7.021 1.298
127 HA3 GLY 21 HA1 GLY 21 2.347 -5.456 0.669
128 H GLY 22 HN GLY 22 4.408 -5.541 -1.440
129 HA2 GLY 22 HA2 GLY 22 4.807 -6.516 -3.514
130 HA3 GLY 22 HA1 GLY 22 3.720 -7.824 -3.076
Start of MODEL 14
1 H1 GLY 1 HN GLY 1 1.778 -4.134 -2.717
2 HA2 GLY 1 HA2 GLY 1 1.792 -4.472 -5.513
3 HA3 GLY 1 HA1 GLY 1 0.166 -4.046 -5.004
4 H HIS 2 HN HIS 2 -0.244 -1.993 -5.255
5 HA HIS 2 HA HIS 2 1.786 -0.007 -5.588
6 HB2 HIS 2 HB2 HIS 2 -0.536 -0.125 -6.690
7 HB3 HIS 2 HB1 HIS 2 -1.157 0.514 -5.176
8 HD1 HIS 2 HD1 HIS 2 -1.908 2.450 -6.999
9 HD2 HIS 2 HD2 HIS 2 2.101 2.272 -5.917
10 HE1 HIS 2 HE1 HIS 2 -0.936 4.670 -7.655
11 HE2 HIS 2 HE2 HIS 2 1.422 4.615 -6.773
12 H CYS 3 HN CYS 3 2.166 -1.102 -3.080
13 HA CYS 3 HA CYS 3 0.901 0.309 -0.982
14 HB2 CYS 3 HB2 CYS 3 3.570 -1.109 -1.005
15 HB3 CYS 3 HB1 CYS 3 2.674 -0.624 0.435
16 H SER 4 HN SER 4 3.177 1.334 -3.231
17 HA SER 4 HA SER 4 4.656 3.166 -1.643
18 HB2 SER 4 HB2 SER 4 4.953 4.232 -4.045
19 HB3 SER 4 HB1 SER 4 5.730 2.700 -3.643
20 HG SER 4 HG SER 4 4.714 2.298 -5.523
21 H ASP 5 HN ASP 5 1.533 3.116 -3.029
22 HA ASP 5 HA ASP 5 1.124 5.995 -2.806
23 HB2 ASP 5 HB2 ASP 5 0.251 4.687 -4.757
24 HB3 ASP 5 HB1 ASP 5 -0.797 3.811 -3.654
25 HA PRO 6 HA PRO 6 -0.122 5.471 1.455
26 HB2 PRO 6 HB2 PRO 6 -1.418 7.929 1.579
27 HB3 PRO 6 HB1 PRO 6 0.296 7.655 1.903
28 HG2 PRO 6 HG2 PRO 6 -1.031 8.639 -0.583
29 HG3 PRO 6 HG1 PRO 6 0.503 9.145 0.148
30 HD2 PRO 6 HD2 PRO 6 0.445 7.539 -1.993
31 HD3 PRO 6 HD1 PRO 6 1.655 7.321 -0.711
32 H ARG 7 HN ARG 7 -2.294 6.396 -1.149
33 HA ARG 7 HA ARG 7 -4.714 6.059 0.294
34 HB2 ARG 7 HB2 ARG 7 -4.153 5.927 -2.671
35 HB3 ARG 7 HB1 ARG 7 -5.760 5.984 -1.958
36 HG2 ARG 7 HG2 ARG 7 -5.386 8.165 -1.097
37 HG3 ARG 7 HG1 ARG 7 -3.676 8.105 -1.527
38 HD2 ARG 7 HD2 ARG 7 -5.981 8.060 -3.469
39 HD3 ARG 7 HD1 ARG 7 -4.972 9.460 -3.106
40 HE ARG 7 HE ARG 7 -3.343 7.296 -3.915
41 HH11 ARG 7 HH11 ARG 7 -5.605 9.639 -5.209
42 HH12 ARG 7 HH12 ARG 7 -4.941 9.590 -6.806
43 HH21 ARG 7 HH21 ARG 7 -2.481 7.198 -5.995
44 HH22 ARG 7 HH22 ARG 7 -3.144 8.197 -7.260
45 H PHE 8 HN PHE 8 -2.943 3.935 -1.928
46 HA PHE 8 HA PHE 8 -4.699 1.766 -1.890
47 HB2 PHE 8 HB2 PHE 8 -2.707 2.095 -3.417
48 HB3 PHE 8 HB1 PHE 8 -1.697 1.533 -2.090
49 HD1 PHE 8 HD1 PHE 8 -4.833 0.452 -3.810
50 HD2 PHE 8 HD2 PHE 8 -1.060 -0.664 -2.192
51 HE1 PHE 8 HE1 PHE 8 -5.223 -1.872 -4.510
52 HE2 PHE 8 HE2 PHE 8 -1.442 -2.988 -2.893
53 HZ PHE 8 HZ PHE 8 -3.525 -3.596 -4.055
54 H ASN 9 HN ASN 9 -2.199 2.711 0.381
55 HA ASN 9 HA ASN 9 -2.087 0.310 1.861
56 HB2 ASN 9 HB2 ASN 9 -1.452 3.169 2.588
57 HB3 ASN 9 HB1 ASN 9 -1.261 1.847 3.735
58 HD21 ASN 9 HD21 ASN 9 0.299 3.690 1.517
59 HD22 ASN 9 HD22 ASN 9 1.618 2.640 1.134
60 H TYR 10 HN TYR 10 -4.165 3.132 2.035
61 HA TYR 10 HA TYR 10 -5.520 2.257 4.423
62 HB2 TYR 10 HB2 TYR 10 -5.312 4.646 3.934
63 HB3 TYR 10 HB1 TYR 10 -6.189 4.432 2.423
64 HD1 TYR 10 HD1 TYR 10 -6.809 3.334 5.949
65 HD2 TYR 10 HD2 TYR 10 -8.265 5.410 2.532
66 HE1 TYR 10 HE1 TYR 10 -8.931 3.759 7.118
67 HE2 TYR 10 HE2 TYR 10 -10.389 5.842 3.692
68 HH TYR 10 HH TYR 10 -11.697 4.659 5.635
69 H ASP 11 HN ASP 11 -6.208 2.410 0.965
70 HA ASP 11 HA ASP 11 -8.819 1.380 1.013
71 HB2 ASP 11 HB2 ASP 11 -6.702 1.282 -1.147
72 HB3 ASP 11 HB1 ASP 11 -8.373 0.790 -1.392
73 H HIS 12 HN HIS 12 -5.689 -0.172 1.049
74 HA HIS 12 HA HIS 12 -7.017 -2.731 1.516
75 HB2 HIS 12 HB2 HIS 12 -5.163 -2.108 -0.723
76 HB3 HIS 12 HB1 HIS 12 -5.027 -3.687 0.047
77 HD1 HIS 12 HD1 HIS 12 -7.469 -4.958 0.272
78 HD2 HIS 12 HD2 HIS 12 -7.032 -2.047 -2.676
79 HE1 HIS 12 HE1 HIS 12 -9.326 -5.379 -1.382
80 HE2 HIS 12 HE2 HIS 12 -9.157 -3.483 -3.035
81 HA PRO 13 HA PRO 13 -3.661 -1.914 4.583
82 HB2 PRO 13 HB2 PRO 13 -5.114 -2.797 6.710
83 HB3 PRO 13 HB1 PRO 13 -5.163 -1.130 6.127
84 HG2 PRO 13 HG2 PRO 13 -7.079 -3.371 5.624
85 HG3 PRO 13 HG1 PRO 13 -7.417 -1.667 5.980
86 HD2 PRO 13 HD2 PRO 13 -7.524 -2.680 3.473
87 HD3 PRO 13 HD1 PRO 13 -7.034 -1.006 3.807
88 H GLU 14 HN GLU 14 -5.734 -4.682 3.916
89 HA GLU 14 HA GLU 14 -4.133 -6.534 5.388
90 HB2 GLU 14 HB2 GLU 14 -5.501 -8.047 3.499
91 HB3 GLU 14 HB1 GLU 14 -5.998 -7.727 5.151
92 HG2 GLU 14 HG2 GLU 14 -7.843 -7.237 3.780
93 HG3 GLU 14 HG1 GLU 14 -7.182 -5.688 4.293
94 H ILE 15 HN ILE 15 -4.374 -5.719 1.940
95 HA ILE 15 HA ILE 15 -2.543 -7.625 1.006
96 HB ILE 15 HB ILE 15 -3.094 -4.893 -0.163
97 HG12 ILE 15 HG12 ILE 15 -4.421 -7.572 -0.620
98 HG13 ILE 15 HG11 ILE 15 -5.160 -6.130 0.066
99 HG21 ILE 15 HG21 ILE 15 -1.257 -6.938 -0.916
100 HG22 ILE 15 HG22 ILE 15 -1.580 -5.394 -1.705
101 HG23 ILE 15 HG23 ILE 15 -2.517 -6.822 -2.146
102 HD11 ILE 15 HD11 ILE 15 -5.959 -6.005 -2.055
103 HD12 ILE 15 HD12 ILE 15 -4.540 -6.784 -2.758
104 HD13 ILE 15 HD13 ILE 15 -4.462 -5.094 -2.257
105 H CYS 16 HN CYS 16 -1.974 -4.163 1.675
106 HA CYS 16 HA CYS 16 0.841 -4.433 1.343
107 HB2 CYS 16 HB2 CYS 16 -0.879 -2.206 2.414
108 HB3 CYS 16 HB1 CYS 16 0.878 -2.090 2.313
109 H GLY 17 HN GLY 17 -1.304 -4.581 4.107
110 HA2 GLY 17 HA2 GLY 17 0.647 -4.300 6.133
111 HA3 GLY 17 HA1 GLY 17 -0.911 -5.097 6.311
112 H GLY 18 HN GLY 18 -0.541 -7.096 4.344
113 HA2 GLY 18 HA2 GLY 18 0.882 -9.034 5.879
114 HA3 GLY 18 HA1 GLY 18 0.152 -9.289 4.300
115 H ALA 19 HN ALA 19 1.722 -6.933 3.293
116 HA ALA 19 HA ALA 19 3.675 -6.423 2.278
117 HB1 ALA 19 HB1 ALA 19 5.364 -6.512 3.702
118 HB2 ALA 19 HB2 ALA 19 5.594 -8.212 3.297
119 HB3 ALA 19 HB3 ALA 19 4.545 -7.761 4.641
120 H ALA 20 HN ALA 20 3.387 -9.923 2.780
121 HA ALA 20 HA ALA 20 4.689 -10.609 0.343
122 HB1 ALA 20 HB1 ALA 20 4.093 -12.013 2.538
123 HB2 ALA 20 HB2 ALA 20 4.389 -12.771 0.972
124 HB3 ALA 20 HB3 ALA 20 2.736 -12.497 1.521
125 H GLY 21 HN GLY 21 3.913 -10.333 -1.630
126 HA2 GLY 21 HA2 GLY 21 2.446 -10.355 -3.408
127 HA3 GLY 21 HA1 GLY 21 1.239 -11.061 -2.342
128 H GLY 22 HN GLY 22 2.962 -8.004 -1.940
129 HA2 GLY 22 HA2 GLY 22 0.498 -6.608 -1.455
130 HA3 GLY 22 HA1 GLY 22 2.111 -5.913 -1.448
Start of MODEL 15
1 H1 GLY 1 HN GLY 1 3.546 -6.048 -4.720
2 HA2 GLY 1 HA2 GLY 1 0.942 -5.626 -4.875
3 HA3 GLY 1 HA1 GLY 1 1.262 -4.941 -3.286
4 H HIS 2 HN HIS 2 0.976 -2.820 -3.639
5 HA HIS 2 HA HIS 2 3.011 -1.405 -5.087
6 HB2 HIS 2 HB2 HIS 2 1.122 -2.103 -6.778
7 HB3 HIS 2 HB1 HIS 2 0.214 -0.811 -6.010
8 HD1 HIS 2 HD1 HIS 2 0.499 -0.054 -8.710
9 HD2 HIS 2 HD2 HIS 2 3.739 0.411 -6.146
10 HE1 HIS 2 HE1 HIS 2 2.008 1.622 -9.826
11 HE2 HIS 2 HE2 HIS 2 4.000 1.825 -8.295
12 H CYS 3 HN CYS 3 2.261 -1.541 -2.433
13 HA CYS 3 HA CYS 3 0.506 0.558 -1.666
14 HB2 CYS 3 HB2 CYS 3 2.614 -0.838 -0.016
15 HB3 CYS 3 HB1 CYS 3 1.215 0.047 0.588
16 H SER 4 HN SER 4 2.254 1.690 -3.433
17 HA SER 4 HA SER 4 4.303 3.135 -1.982
18 HB2 SER 4 HB2 SER 4 3.351 3.634 -4.810
19 HB3 SER 4 HB1 SER 4 4.919 4.038 -4.108
20 HG SER 4 HG SER 4 5.384 1.830 -3.985
21 H ASP 5 HN ASP 5 1.146 3.652 -3.405
22 HA ASP 5 HA ASP 5 1.055 6.457 -2.751
23 HB2 ASP 5 HB2 ASP 5 -0.099 5.448 -4.746
24 HB3 ASP 5 HB1 ASP 5 -1.204 4.646 -3.634
25 HA PRO 6 HA PRO 6 -0.302 6.010 1.446
26 HB2 PRO 6 HB2 PRO 6 -1.829 8.500 0.923
27 HB3 PRO 6 HB1 PRO 6 -0.620 8.159 2.165
28 HG2 PRO 6 HG2 PRO 6 -0.027 9.699 0.073
29 HG3 PRO 6 HG1 PRO 6 1.158 8.553 0.730
30 HD2 PRO 6 HD2 PRO 6 -0.550 8.322 -1.717
31 HD3 PRO 6 HD1 PRO 6 1.141 7.840 -1.473
32 H ARG 7 HN ARG 7 -2.642 6.724 -1.109
33 HA ARG 7 HA ARG 7 -4.969 6.185 0.423
34 HB2 ARG 7 HB2 ARG 7 -4.465 6.175 -2.550
35 HB3 ARG 7 HB1 ARG 7 -6.054 5.920 -1.842
36 HG2 ARG 7 HG2 ARG 7 -6.161 8.091 -1.009
37 HG3 ARG 7 HG1 ARG 7 -4.428 8.349 -1.199
38 HD2 ARG 7 HD2 ARG 7 -6.347 7.944 -3.488
39 HD3 ARG 7 HD1 ARG 7 -5.830 9.522 -2.896
40 HE ARG 7 HE ARG 7 -3.565 7.920 -3.471
41 HH11 ARG 7 HH11 ARG 7 -6.143 9.639 -5.113
42 HH12 ARG 7 HH12 ARG 7 -5.192 9.984 -6.517
43 HH21 ARG 7 HH21 ARG 7 -2.297 8.385 -5.288
44 HH22 ARG 7 HH22 ARG 7 -2.993 9.264 -6.623
45 H PHE 8 HN PHE 8 -3.182 4.203 -1.917
46 HA PHE 8 HA PHE 8 -4.746 1.910 -1.813
47 HB2 PHE 8 HB2 PHE 8 -2.838 2.383 -3.403
48 HB3 PHE 8 HB1 PHE 8 -1.737 1.909 -2.115
49 HD1 PHE 8 HD2 PHE 8 -4.993 0.364 -2.995
50 HD2 PHE 8 HD1 PHE 8 -0.754 -0.030 -2.992
51 HE1 PHE 8 HE2 PHE 8 -5.212 -1.987 -3.686
52 HE2 PHE 8 HE1 PHE 8 -0.969 -2.379 -3.680
53 HZ PHE 8 HZ PHE 8 -3.198 -3.361 -4.030
54 H ASN 9 HN ASN 9 -2.209 2.982 0.350
55 HA ASN 9 HA ASN 9 -1.945 0.600 1.853
56 HB2 ASN 9 HB2 ASN 9 -1.264 3.482 2.346
57 HB3 ASN 9 HB1 ASN 9 -1.129 2.313 3.655
58 HD21 ASN 9 HD21 ASN 9 0.413 3.709 1.034
59 HD22 ASN 9 HD22 ASN 9 1.747 2.614 0.909
60 H TYR 10 HN TYR 10 -4.222 3.216 1.915
61 HA TYR 10 HA TYR 10 -5.312 2.439 4.487
62 HB2 TYR 10 HB2 TYR 10 -5.092 4.823 3.895
63 HB3 TYR 10 HB1 TYR 10 -6.203 4.585 2.552
64 HD1 TYR 10 HD1 TYR 10 -6.265 3.545 6.145
65 HD2 TYR 10 HD2 TYR 10 -8.209 5.623 2.985
66 HE1 TYR 10 HE1 TYR 10 -8.161 4.026 7.637
67 HE2 TYR 10 HE2 TYR 10 -10.110 6.111 4.466
68 HH TYR 10 HH TYR 10 -10.803 4.561 7.140
69 H ASP 11 HN ASP 11 -6.329 2.447 1.067
70 HA ASP 11 HA ASP 11 -8.903 1.372 1.701
71 HB2 ASP 11 HB2 ASP 11 -9.277 1.195 -0.698
72 HB3 ASP 11 HB1 ASP 11 -8.618 2.768 -0.282
73 H HIS 12 HN HIS 12 -5.812 -0.041 1.062
74 HA HIS 12 HA HIS 12 -7.037 -2.673 1.426
75 HB2 HIS 12 HB2 HIS 12 -5.301 -1.864 -0.880
76 HB3 HIS 12 HB1 HIS 12 -5.286 -3.527 -0.302
77 HD1 HIS 12 HD1 HIS 12 -7.925 -4.493 -0.028
78 HD2 HIS 12 HD2 HIS 12 -7.118 -1.535 -2.846
79 HE1 HIS 12 HE1 HIS 12 -9.840 -4.563 -1.664
80 HE2 HIS 12 HE2 HIS 12 -9.436 -2.614 -3.207
81 HA PRO 13 HA PRO 13 -3.214 -1.898 4.037
82 HB2 PRO 13 HB2 PRO 13 -4.401 -2.484 6.416
83 HB3 PRO 13 HB1 PRO 13 -4.351 -0.857 5.731
84 HG2 PRO 13 HG2 PRO 13 -6.566 -2.865 5.684
85 HG3 PRO 13 HG1 PRO 13 -6.645 -1.116 5.965
86 HD2 PRO 13 HD2 PRO 13 -7.266 -2.235 3.582
87 HD3 PRO 13 HD1 PRO 13 -6.535 -0.623 3.716
88 H GLU 14 HN GLU 14 -5.672 -4.405 3.873
89 HA GLU 14 HA GLU 14 -4.249 -6.405 5.272
90 HB2 GLU 14 HB2 GLU 14 -5.841 -7.960 4.442
91 HB3 GLU 14 HB1 GLU 14 -6.706 -6.459 4.716
92 HG2 GLU 14 HG2 GLU 14 -5.687 -7.273 2.011
93 HG3 GLU 14 HG1 GLU 14 -7.271 -7.745 2.617
94 H ILE 15 HN ILE 15 -4.222 -5.379 1.911
95 HA ILE 15 HA ILE 15 -2.674 -7.556 0.934
96 HB ILE 15 HB ILE 15 -2.952 -4.758 -0.188
97 HG12 ILE 15 HG12 ILE 15 -4.435 -7.319 -0.832
98 HG13 ILE 15 HG11 ILE 15 -5.104 -5.917 -0.004
99 HG21 ILE 15 HG21 ILE 15 -2.135 -5.643 -2.268
100 HG22 ILE 15 HG22 ILE 15 -2.046 -7.269 -1.591
101 HG23 ILE 15 HG23 ILE 15 -0.964 -6.008 -1.001
102 HD11 ILE 15 HD11 ILE 15 -4.004 -5.076 -2.491
103 HD12 ILE 15 HD12 ILE 15 -5.680 -5.029 -1.941
104 HD13 ILE 15 HD13 ILE 15 -5.060 -6.462 -2.763
105 H CYS 16 HN CYS 16 -1.879 -4.263 1.955
106 HA CYS 16 HA CYS 16 0.897 -4.431 1.523
107 HB2 CYS 16 HB2 CYS 16 -0.556 -2.689 3.521
108 HB3 CYS 16 HB1 CYS 16 1.038 -2.398 2.830
109 H GLY 17 HN GLY 17 -1.098 -5.062 4.380
110 HA2 GLY 17 HA2 GLY 17 1.103 -5.550 6.126
111 HA3 GLY 17 HA1 GLY 17 -0.575 -5.974 6.426
112 H GLY 18 HN GLY 18 -1.002 -7.664 4.216
113 HA2 GLY 18 HA2 GLY 18 0.069 -10.088 5.253
114 HA3 GLY 18 HA1 GLY 18 -0.899 -9.921 3.796
115 H ALA 19 HN ALA 19 0.697 -8.253 2.284
116 HA ALA 19 HA ALA 19 2.333 -8.360 0.715
117 HB1 ALA 19 HB1 ALA 19 4.627 -8.775 1.559
118 HB2 ALA 19 HB2 ALA 19 3.933 -9.254 3.108
119 HB3 ALA 19 HB3 ALA 19 3.725 -7.604 2.522
120 H ALA 20 HN ALA 20 0.648 -10.607 0.815
121 HA ALA 20 HA ALA 20 1.960 -13.083 0.772
122 HB1 ALA 20 HB1 ALA 20 -0.391 -13.097 0.942
123 HB2 ALA 20 HB2 ALA 20 -0.022 -13.799 -0.634
124 HB3 ALA 20 HB3 ALA 20 -0.581 -12.130 -0.520
125 H GLY 21 HN GLY 21 1.567 -10.629 -1.690
126 HA2 GLY 21 HA2 GLY 21 3.582 -11.957 -3.313
127 HA3 GLY 21 HA1 GLY 21 2.003 -11.755 -4.063
128 H GLY 22 HN GLY 22 3.815 -9.633 -1.893
129 HA2 GLY 22 HA2 GLY 22 4.663 -7.516 -2.205
130 HA3 GLY 22 HA1 GLY 22 4.565 -7.793 -3.939
Start of MODEL 16
1 H1 GLY 1 HN GLY 1 2.844 -4.964 -4.046
2 HA2 GLY 1 HA2 GLY 1 2.599 -4.722 -6.856
3 HA3 GLY 1 HA1 GLY 1 1.270 -4.825 -5.712
4 H HIS 2 HN HIS 2 1.552 -2.558 -4.221
5 HA HIS 2 HA HIS 2 2.039 -0.229 -5.778
6 HB2 HIS 2 HB2 HIS 2 -0.195 -1.324 -6.660
7 HB3 HIS 2 HB1 HIS 2 -0.887 -0.587 -5.221
8 HD1 HIS 2 HD1 HIS 2 -0.376 2.132 -5.070
9 HD2 HIS 2 HD2 HIS 2 -0.153 0.316 -8.803
10 HE1 HIS 2 HE1 HIS 2 -0.555 4.004 -6.744
11 HE2 HIS 2 HE2 HIS 2 -0.535 2.868 -8.994
12 H CYS 3 HN CYS 3 2.654 -1.267 -3.172
13 HA CYS 3 HA CYS 3 1.086 -0.030 -1.157
14 HB2 CYS 3 HB2 CYS 3 3.977 -0.905 -1.016
15 HB3 CYS 3 HB1 CYS 3 2.923 -0.576 0.355
16 H SER 4 HN SER 4 3.233 1.257 -3.402
17 HA SER 4 HA SER 4 4.429 3.343 -1.928
18 HB2 SER 4 HB2 SER 4 4.475 4.383 -4.354
19 HB3 SER 4 HB1 SER 4 5.462 2.971 -3.971
20 HG SER 4 HG SER 4 4.272 2.701 -5.916
21 H ASP 5 HN ASP 5 1.297 2.867 -3.255
22 HA ASP 5 HA ASP 5 0.447 5.606 -3.291
23 HB2 ASP 5 HB2 ASP 5 -0.537 3.743 -4.675
24 HB3 ASP 5 HB1 ASP 5 -1.221 3.078 -3.202
25 HA PRO 6 HA PRO 6 0.099 5.705 1.216
26 HB2 PRO 6 HB2 PRO 6 -1.043 8.215 1.277
27 HB3 PRO 6 HB1 PRO 6 0.695 7.908 1.224
28 HG2 PRO 6 HG2 PRO 6 -1.176 8.619 -0.995
29 HG3 PRO 6 HG1 PRO 6 0.484 9.172 -0.704
30 HD2 PRO 6 HD2 PRO 6 -0.083 7.291 -2.542
31 HD3 PRO 6 HD1 PRO 6 1.415 7.246 -1.589
32 H ARG 7 HN ARG 7 -2.429 6.576 -1.053
33 HA ARG 7 HA ARG 7 -4.597 6.343 0.789
34 HB2 ARG 7 HB2 ARG 7 -4.887 7.742 -1.113
35 HB3 ARG 7 HB1 ARG 7 -4.386 6.470 -2.213
36 HG2 ARG 7 HG2 ARG 7 -6.518 5.266 -1.199
37 HG3 ARG 7 HG1 ARG 7 -7.008 6.942 -0.924
38 HD2 ARG 7 HD2 ARG 7 -7.780 6.137 -3.105
39 HD3 ARG 7 HD1 ARG 7 -6.615 7.452 -3.279
40 HE ARG 7 HE ARG 7 -5.129 5.991 -4.252
41 HH11 ARG 7 HH11 ARG 7 -7.827 4.198 -2.934
42 HH12 ARG 7 HH12 ARG 7 -7.269 2.655 -3.502
43 HH21 ARG 7 HH21 ARG 7 -4.355 3.990 -4.996
44 HH22 ARG 7 HH22 ARG 7 -5.288 2.549 -4.704
45 H PHE 8 HN PHE 8 -3.114 4.242 -1.641
46 HA PHE 8 HA PHE 8 -4.961 2.140 -1.572
47 HB2 PHE 8 HB2 PHE 8 -3.149 2.368 -3.256
48 HB3 PHE 8 HB1 PHE 8 -1.982 1.900 -2.024
49 HD1 PHE 8 HD2 PHE 8 -5.272 0.618 -3.247
50 HD2 PHE 8 HD1 PHE 8 -1.235 -0.253 -2.218
51 HE1 PHE 8 HE2 PHE 8 -5.643 -1.750 -3.804
52 HE2 PHE 8 HE1 PHE 8 -1.600 -2.620 -2.774
53 HZ PHE 8 HZ PHE 8 -3.806 -3.372 -3.567
54 H ASN 9 HN ASN 9 -2.245 2.846 0.552
55 HA ASN 9 HA ASN 9 -2.136 0.382 1.889
56 HB2 ASN 9 HB2 ASN 9 -1.406 3.176 2.761
57 HB3 ASN 9 HB1 ASN 9 -1.188 1.781 3.817
58 HD21 ASN 9 HD21 ASN 9 0.346 3.727 1.699
59 HD22 ASN 9 HD22 ASN 9 1.593 2.664 1.151
60 H TYR 10 HN TYR 10 -4.190 3.185 2.325
61 HA TYR 10 HA TYR 10 -5.479 2.100 4.681
62 HB2 TYR 10 HB2 TYR 10 -5.182 4.549 4.389
63 HB3 TYR 10 HB1 TYR 10 -6.218 4.489 2.967
64 HD1 TYR 10 HD1 TYR 10 -6.472 3.086 6.426
65 HD2 TYR 10 HD2 TYR 10 -8.260 5.455 3.381
66 HE1 TYR 10 HE1 TYR 10 -8.448 3.417 7.854
67 HE2 TYR 10 HE2 TYR 10 -10.241 5.796 4.799
68 HH TYR 10 HH TYR 10 -11.153 4.053 7.129
69 H ASP 11 HN ASP 11 -6.021 2.456 1.268
70 HA ASP 11 HA ASP 11 -8.704 1.724 1.022
71 HB2 ASP 11 HB2 ASP 11 -7.380 2.736 -0.773
72 HB3 ASP 11 HB1 ASP 11 -6.360 1.312 -0.854
73 H HIS 12 HN HIS 12 -5.765 -0.278 0.826
74 HA HIS 12 HA HIS 12 -7.366 -2.593 1.635
75 HB2 HIS 12 HB2 HIS 12 -5.610 -2.477 -0.819
76 HB3 HIS 12 HB1 HIS 12 -6.112 -3.992 -0.074
77 HD1 HIS 12 HD1 HIS 12 -8.822 -4.293 0.099
78 HD2 HIS 12 HD2 HIS 12 -7.374 -1.491 -2.617
79 HE1 HIS 12 HE1 HIS 12 -10.750 -3.759 -1.431
80 HE2 HIS 12 HE2 HIS 12 -9.919 -1.842 -2.837
81 HA PRO 13 HA PRO 13 -3.378 -2.204 4.013
82 HB2 PRO 13 HB2 PRO 13 -4.534 -2.782 6.416
83 HB3 PRO 13 HB1 PRO 13 -4.415 -1.143 5.767
84 HG2 PRO 13 HG2 PRO 13 -6.734 -3.034 5.728
85 HG3 PRO 13 HG1 PRO 13 -6.715 -1.291 6.056
86 HD2 PRO 13 HD2 PRO 13 -7.462 -2.299 3.667
87 HD3 PRO 13 HD1 PRO 13 -6.621 -0.743 3.816
88 H GLU 14 HN GLU 14 -5.693 -4.522 3.301
89 HA GLU 14 HA GLU 14 -4.818 -6.734 4.804
90 HB2 GLU 14 HB2 GLU 14 -6.041 -8.041 3.041
91 HB3 GLU 14 HB1 GLU 14 -6.988 -6.755 3.779
92 HG2 GLU 14 HG2 GLU 14 -6.201 -5.331 1.778
93 HG3 GLU 14 HG1 GLU 14 -5.794 -6.878 1.040
94 H ILE 15 HN ILE 15 -3.899 -5.475 1.639
95 HA ILE 15 HA ILE 15 -2.137 -7.668 1.061
96 HB ILE 15 HB ILE 15 -2.342 -4.987 -0.315
97 HG12 ILE 15 HG12 ILE 15 -3.661 -7.620 -1.016
98 HG13 ILE 15 HG11 ILE 15 -4.483 -6.251 -0.275
99 HG21 ILE 15 HG21 ILE 15 -1.145 -7.600 -1.231
100 HG22 ILE 15 HG22 ILE 15 -0.257 -6.138 -0.806
101 HG23 ILE 15 HG23 ILE 15 -1.313 -6.149 -2.218
102 HD11 ILE 15 HD11 ILE 15 -4.699 -5.186 -2.223
103 HD12 ILE 15 HD12 ILE 15 -4.369 -6.763 -2.940
104 HD13 ILE 15 HD13 ILE 15 -3.064 -5.593 -2.741
105 H CYS 16 HN CYS 16 -1.528 -4.179 1.555
106 HA CYS 16 HA CYS 16 1.284 -4.702 1.956
107 HB2 CYS 16 HB2 CYS 16 -0.232 -2.095 2.166
108 HB3 CYS 16 HB1 CYS 16 1.517 -2.278 2.079
109 H GLY 17 HN GLY 17 -0.959 -5.460 3.966
110 HA2 GLY 17 HA2 GLY 17 -0.157 -3.977 6.325
111 HA3 GLY 17 HA1 GLY 17 -1.342 -5.271 6.258
112 H GLY 18 HN GLY 18 0.134 -7.330 5.174
113 HA2 GLY 18 HA2 GLY 18 2.498 -7.614 6.880
114 HA3 GLY 18 HA1 GLY 18 1.180 -8.754 7.110
115 H ALA 19 HN ALA 19 2.422 -7.350 4.131
116 HA ALA 19 HA ALA 19 3.894 -9.640 3.316
117 HB1 ALA 19 HB1 ALA 19 2.446 -10.820 2.066
118 HB2 ALA 19 HB2 ALA 19 1.678 -9.368 1.422
119 HB3 ALA 19 HB3 ALA 19 1.194 -9.998 2.997
120 H ALA 20 HN ALA 20 1.901 -6.986 2.129
121 HA ALA 20 HA ALA 20 2.305 -5.176 0.848
122 HB1 ALA 20 HB1 ALA 20 4.719 -5.557 2.177
123 HB2 ALA 20 HB2 ALA 20 4.188 -4.110 1.320
124 HB3 ALA 20 HB3 ALA 20 5.159 -5.322 0.485
125 H GLY 21 HN GLY 21 4.780 -7.547 -0.192
126 HA2 GLY 21 HA2 GLY 21 5.016 -8.635 -2.217
127 HA3 GLY 21 HA1 GLY 21 3.427 -8.040 -2.675
128 H GLY 22 HN GLY 22 4.133 -5.252 -2.226
129 HA2 GLY 22 HA2 GLY 22 5.369 -3.513 -3.188
130 HA3 GLY 22 HA1 GLY 22 6.263 -4.699 -4.131
Start of MODEL 17
1 H1 GLY 1 HN GLY 1 4.294 -4.008 -2.676
2 HA2 GLY 1 HA2 GLY 1 3.809 -3.876 -5.525
3 HA3 GLY 1 HA1 GLY 1 2.613 -4.180 -4.274
4 H HIS 2 HN HIS 2 1.062 -2.705 -4.555
5 HA HIS 2 HA HIS 2 1.645 -0.017 -5.437
6 HB2 HIS 2 HB2 HIS 2 -0.432 -1.409 -6.018
7 HB3 HIS 2 HB1 HIS 2 -0.998 -1.050 -4.395
8 HD1 HIS 2 HD1 HIS 2 -3.026 0.076 -5.768
9 HD2 HIS 2 HD2 HIS 2 0.644 2.010 -5.997
10 HE1 HIS 2 HE1 HIS 2 -3.534 2.380 -6.626
11 HE2 HIS 2 HE2 HIS 2 -1.341 3.610 -6.468
12 H CYS 3 HN CYS 3 2.554 -1.168 -2.759
13 HA CYS 3 HA CYS 3 1.207 0.166 -0.670
14 HB2 CYS 3 HB2 CYS 3 4.099 -0.701 -0.685
15 HB3 CYS 3 HB1 CYS 3 3.047 -0.500 0.714
16 H SER 4 HN SER 4 3.381 1.314 -3.039
17 HA SER 4 HA SER 4 4.537 3.453 -1.566
18 HB2 SER 4 HB2 SER 4 5.504 2.558 -3.679
19 HB3 SER 4 HB1 SER 4 4.129 3.219 -4.562
20 HG SER 4 HG SER 4 4.953 5.254 -3.284
21 H ASP 5 HN ASP 5 1.457 2.902 -2.891
22 HA ASP 5 HA ASP 5 0.742 5.709 -3.155
23 HB2 ASP 5 HB2 ASP 5 -0.073 3.737 -4.627
24 HB3 ASP 5 HB1 ASP 5 -1.152 3.376 -3.288
25 HA PRO 6 HA PRO 6 -0.345 5.891 1.197
26 HB2 PRO 6 HB2 PRO 6 -1.740 8.355 0.318
27 HB3 PRO 6 HB1 PRO 6 -0.512 8.143 1.571
28 HG2 PRO 6 HG2 PRO 6 0.082 9.315 -0.754
29 HG3 PRO 6 HG1 PRO 6 1.240 8.244 0.059
30 HD2 PRO 6 HD2 PRO 6 -0.529 7.692 -2.292
31 HD3 PRO 6 HD1 PRO 6 1.149 7.188 -1.999
32 H ARG 7 HN ARG 7 -2.591 6.341 -1.466
33 HA ARG 7 HA ARG 7 -4.975 6.125 0.076
34 HB2 ARG 7 HB2 ARG 7 -4.507 5.650 -2.871
35 HB3 ARG 7 HB1 ARG 7 -6.080 5.837 -2.105
36 HG2 ARG 7 HG2 ARG 7 -5.684 8.097 -1.609
37 HG3 ARG 7 HG1 ARG 7 -3.962 7.956 -1.959
38 HD2 ARG 7 HD2 ARG 7 -6.192 7.675 -3.971
39 HD3 ARG 7 HD1 ARG 7 -5.178 9.104 -3.757
40 HE ARG 7 HE ARG 7 -3.527 6.859 -4.196
41 HH11 ARG 7 HH11 ARG 7 -5.802 8.906 -5.908
42 HH12 ARG 7 HH12 ARG 7 -5.064 8.656 -7.453
43 HH21 ARG 7 HH21 ARG 7 -2.556 6.510 -6.218
44 HH22 ARG 7 HH22 ARG 7 -3.205 7.292 -7.633
45 H PHE 8 HN PHE 8 -3.109 3.849 -1.873
46 HA PHE 8 HA PHE 8 -4.816 1.642 -1.667
47 HB2 PHE 8 HB2 PHE 8 -2.861 1.827 -3.218
48 HB3 PHE 8 HB1 PHE 8 -1.799 1.543 -1.843
49 HD1 PHE 8 HD1 PHE 8 -4.848 -0.004 -3.351
50 HD2 PHE 8 HD2 PHE 8 -1.011 -0.594 -1.607
51 HE1 PHE 8 HE1 PHE 8 -5.077 -2.431 -3.678
52 HE2 PHE 8 HE2 PHE 8 -1.233 -3.021 -1.933
53 HZ PHE 8 HZ PHE 8 -3.266 -3.942 -2.970
54 H ASN 9 HN ASN 9 -2.272 2.783 0.484
55 HA ASN 9 HA ASN 9 -2.269 0.524 2.196
56 HB2 ASN 9 HB2 ASN 9 -1.412 3.380 2.679
57 HB3 ASN 9 HB1 ASN 9 -1.181 2.084 3.848
58 HD21 ASN 9 HD21 ASN 9 0.358 3.828 1.636
59 HD22 ASN 9 HD22 ASN 9 1.555 2.702 1.102
60 H TYR 10 HN TYR 10 -4.382 3.197 1.843
61 HA TYR 10 HA TYR 10 -5.531 2.882 4.490
62 HB2 TYR 10 HB2 TYR 10 -5.223 5.141 3.545
63 HB3 TYR 10 HB1 TYR 10 -6.318 4.730 2.229
64 HD1 TYR 10 HD1 TYR 10 -6.462 4.282 5.941
65 HD2 TYR 10 HD2 TYR 10 -8.316 5.848 2.449
66 HE1 TYR 10 HE1 TYR 10 -8.372 5.031 7.299
67 HE2 TYR 10 HE2 TYR 10 -10.231 6.604 3.796
68 HH TYR 10 HH TYR 10 -11.009 5.522 6.649
69 H ASP 11 HN ASP 11 -6.497 2.442 1.087
70 HA ASP 11 HA ASP 11 -9.085 1.460 1.868
71 HB2 ASP 11 HB2 ASP 11 -9.688 1.550 -0.342
72 HB3 ASP 11 HB1 ASP 11 -8.401 2.742 -0.312
73 H HIS 12 HN HIS 12 -6.014 -0.010 0.988
74 HA HIS 12 HA HIS 12 -7.188 -2.599 1.721
75 HB2 HIS 12 HB2 HIS 12 -5.636 -2.059 -0.803
76 HB3 HIS 12 HB1 HIS 12 -5.786 -3.672 -0.118
77 HD1 HIS 12 HD1 HIS 12 -8.551 -4.242 0.384
78 HD2 HIS 12 HD2 HIS 12 -7.472 -1.652 -2.694
79 HE1 HIS 12 HE1 HIS 12 -10.538 -4.135 -1.151
80 HE2 HIS 12 HE2 HIS 12 -9.945 -2.359 -2.835
81 HA PRO 13 HA PRO 13 -2.961 -1.719 3.691
82 HB2 PRO 13 HB2 PRO 13 -3.825 -2.174 6.253
83 HB3 PRO 13 HB1 PRO 13 -3.772 -0.572 5.510
84 HG2 PRO 13 HG2 PRO 13 -6.092 -2.427 5.853
85 HG3 PRO 13 HG1 PRO 13 -6.024 -0.667 6.058
86 HD2 PRO 13 HD2 PRO 13 -7.057 -1.815 3.848
87 HD3 PRO 13 HD1 PRO 13 -6.182 -0.272 3.787
88 H GLU 14 HN GLU 14 -5.503 -3.999 3.915
89 HA GLU 14 HA GLU 14 -4.419 -6.153 5.258
90 HB2 GLU 14 HB2 GLU 14 -6.045 -7.475 3.847
91 HB3 GLU 14 HB1 GLU 14 -6.738 -6.095 4.693
92 HG2 GLU 14 HG2 GLU 14 -6.329 -4.797 2.526
93 HG3 GLU 14 HG1 GLU 14 -6.094 -6.373 1.777
94 H ILE 15 HN ILE 15 -4.192 -5.351 1.805
95 HA ILE 15 HA ILE 15 -2.837 -7.701 1.043
96 HB ILE 15 HB ILE 15 -2.853 -5.003 -0.314
97 HG12 ILE 15 HG12 ILE 15 -4.573 -7.460 -0.736
98 HG13 ILE 15 HG11 ILE 15 -5.099 -5.961 0.021
99 HG21 ILE 15 HG21 ILE 15 -2.573 -7.243 -2.085
100 HG22 ILE 15 HG22 ILE 15 -1.294 -7.273 -0.871
101 HG23 ILE 15 HG23 ILE 15 -1.518 -5.845 -1.881
102 HD11 ILE 15 HD11 ILE 15 -4.761 -4.777 -2.077
103 HD12 ILE 15 HD12 ILE 15 -5.876 -6.129 -2.274
104 HD13 ILE 15 HD13 ILE 15 -4.209 -6.270 -2.836
105 H CYS 16 HN CYS 16 -1.536 -4.391 1.457
106 HA CYS 16 HA CYS 16 1.145 -5.180 1.149
107 HB2 CYS 16 HB2 CYS 16 -0.095 -2.734 2.393
108 HB3 CYS 16 HB1 CYS 16 1.648 -2.951 2.267
109 H GLY 17 HN GLY 17 -0.905 -4.975 3.996
110 HA2 GLY 17 HA2 GLY 17 1.197 -5.315 5.889
111 HA3 GLY 17 HA1 GLY 17 -0.518 -5.543 6.190
112 H GLY 18 HN GLY 18 -1.015 -7.559 4.272
113 HA2 GLY 18 HA2 GLY 18 -0.112 -9.836 5.757
114 HA3 GLY 18 HA1 GLY 18 -1.138 -9.860 4.332
115 H ALA 19 HN ALA 19 0.343 -8.838 2.359
116 HA ALA 19 HA ALA 19 3.042 -9.707 2.288
117 HB1 ALA 19 HB1 ALA 19 1.731 -11.904 2.283
118 HB2 ALA 19 HB2 ALA 19 2.940 -11.679 1.019
119 HB3 ALA 19 HB3 ALA 19 1.230 -11.458 0.652
120 H ALA 20 HN ALA 20 3.974 -8.456 0.829
121 HA ALA 20 HA ALA 20 2.920 -8.050 -1.792
122 HB1 ALA 20 HB1 ALA 20 1.510 -6.456 -0.577
123 HB2 ALA 20 HB2 ALA 20 2.617 -5.631 -1.674
124 HB3 ALA 20 HB3 ALA 20 2.953 -5.663 0.056
125 H GLY 21 HN GLY 21 5.089 -6.747 0.694
126 HA2 GLY 21 HA2 GLY 21 7.386 -6.517 0.661
127 HA3 GLY 21 HA1 GLY 21 7.401 -7.244 -0.937
128 H GLY 22 HN GLY 22 6.092 -5.629 -2.545
129 HA2 GLY 22 HA2 GLY 22 6.678 -2.846 -2.078
130 HA3 GLY 22 HA1 GLY 22 7.775 -3.602 -3.224
Start of MODEL 18
1 H1 GLY 1 HN GLY 1 4.755 -6.380 -4.339
2 HA2 GLY 1 HA2 GLY 1 2.580 -5.826 -4.818
3 HA3 GLY 1 HA1 GLY 1 2.593 -4.925 -3.309
4 H HIS 2 HN HIS 2 1.882 -2.944 -3.649
5 HA HIS 2 HA HIS 2 3.225 -1.170 -5.448
6 HB2 HIS 2 HB2 HIS 2 0.866 -2.518 -6.402
7 HB3 HIS 2 HB1 HIS 2 0.523 -0.802 -6.223
8 HD1 HIS 2 HD1 HIS 2 3.483 -2.761 -7.632
9 HD2 HIS 2 HD2 HIS 2 0.983 0.431 -8.572
10 HE1 HIS 2 HE1 HIS 2 4.266 -1.921 -9.875
11 HE2 HIS 2 HE2 HIS 2 2.679 -0.055 -10.466
12 H CYS 3 HN CYS 3 2.579 -1.465 -2.636
13 HA CYS 3 HA CYS 3 0.565 0.490 -2.019
14 HB2 CYS 3 HB2 CYS 3 2.535 -0.959 -0.250
15 HB3 CYS 3 HB1 CYS 3 1.219 0.062 0.326
16 H SER 4 HN SER 4 2.427 1.689 -3.626
17 HA SER 4 HA SER 4 4.286 3.198 -2.009
18 HB2 SER 4 HB2 SER 4 4.774 2.598 -4.391
19 HB3 SER 4 HB1 SER 4 3.449 3.646 -4.892
20 HG SER 4 HG SER 4 4.832 5.191 -3.410
21 H ASP 5 HN ASP 5 1.134 3.524 -3.426
22 HA ASP 5 HA ASP 5 0.810 6.310 -2.766
23 HB2 ASP 5 HB2 ASP 5 -0.264 5.335 -4.753
24 HB3 ASP 5 HB1 ASP 5 -1.156 4.215 -3.736
25 HA PRO 6 HA PRO 6 -0.220 5.479 1.509
26 HB2 PRO 6 HB2 PRO 6 -1.449 7.933 1.918
27 HB3 PRO 6 HB1 PRO 6 0.280 7.619 2.092
28 HG2 PRO 6 HG2 PRO 6 -1.211 8.811 -0.203
29 HG3 PRO 6 HG1 PRO 6 0.376 9.250 0.456
30 HD2 PRO 6 HD2 PRO 6 0.144 7.820 -1.799
31 HD3 PRO 6 HD1 PRO 6 1.449 7.506 -0.635
32 H ARG 7 HN ARG 7 -2.488 6.668 -0.901
33 HA ARG 7 HA ARG 7 -4.861 6.250 0.597
34 HB2 ARG 7 HB2 ARG 7 -4.453 6.250 -2.400
35 HB3 ARG 7 HB1 ARG 7 -6.003 6.377 -1.579
36 HG2 ARG 7 HG2 ARG 7 -5.405 8.498 -0.648
37 HG3 ARG 7 HG1 ARG 7 -3.760 8.356 -1.268
38 HD2 ARG 7 HD2 ARG 7 -6.280 8.568 -2.912
39 HD3 ARG 7 HD1 ARG 7 -5.077 9.836 -2.676
40 HE ARG 7 HE ARG 7 -3.789 7.560 -3.703
41 HH11 ARG 7 HH11 ARG 7 -6.060 10.031 -4.724
42 HH12 ARG 7 HH12 ARG 7 -5.637 9.901 -6.396
43 HH21 ARG 7 HH21 ARG 7 -3.244 7.367 -5.862
44 HH22 ARG 7 HH22 ARG 7 -4.014 8.373 -7.056
45 H PHE 8 HN PHE 8 -3.087 4.252 -1.721
46 HA PHE 8 HA PHE 8 -4.870 2.073 -1.770
47 HB2 PHE 8 HB2 PHE 8 -3.045 2.427 -3.423
48 HB3 PHE 8 HB1 PHE 8 -1.869 2.020 -2.179
49 HD1 PHE 8 HD2 PHE 8 -5.129 0.390 -2.936
50 HD2 PHE 8 HD1 PHE 8 -0.886 0.056 -2.946
51 HE1 PHE 8 HE2 PHE 8 -5.318 -1.985 -3.541
52 HE2 PHE 8 HE1 PHE 8 -1.072 -2.318 -3.551
53 HZ PHE 8 HZ PHE 8 -3.289 -3.342 -3.849
54 H ASN 9 HN ASN 9 -2.206 2.906 0.357
55 HA ASN 9 HA ASN 9 -1.986 0.486 1.764
56 HB2 ASN 9 HB2 ASN 9 -1.320 3.339 2.425
57 HB3 ASN 9 HB1 ASN 9 -1.169 2.091 3.656
58 HD21 ASN 9 HD21 ASN 9 0.333 3.645 1.091
59 HD22 ASN 9 HD22 ASN 9 1.675 2.574 0.894
60 H TYR 10 HN TYR 10 -4.074 3.282 2.220
61 HA TYR 10 HA TYR 10 -5.258 2.277 4.636
62 HB2 TYR 10 HB2 TYR 10 -5.087 4.695 4.188
63 HB3 TYR 10 HB1 TYR 10 -6.148 4.511 2.796
64 HD1 TYR 10 HD2 TYR 10 -6.315 3.270 6.322
65 HD2 TYR 10 HD1 TYR 10 -8.186 5.494 3.216
66 HE1 TYR 10 HE2 TYR 10 -8.269 3.636 7.771
67 HE2 TYR 10 HE1 TYR 10 -10.144 5.869 4.655
68 HH TYR 10 HH TYR 10 -10.922 4.167 7.181
69 H ASP 11 HN ASP 11 -6.155 2.468 1.232
70 HA ASP 11 HA ASP 11 -8.777 1.473 1.447
71 HB2 ASP 11 HB2 ASP 11 -8.037 2.630 -0.547
72 HB3 ASP 11 HB1 ASP 11 -6.812 1.405 -0.852
73 H HIS 12 HN HIS 12 -5.675 -0.160 0.974
74 HA HIS 12 HA HIS 12 -7.045 -2.684 1.582
75 HB2 HIS 12 HB2 HIS 12 -5.151 -2.108 -0.663
76 HB3 HIS 12 HB1 HIS 12 -5.234 -3.730 0.026
77 HD1 HIS 12 HD1 HIS 12 -7.827 -4.712 0.125
78 HD2 HIS 12 HD2 HIS 12 -6.968 -1.689 -2.604
79 HE1 HIS 12 HE1 HIS 12 -9.725 -4.721 -1.527
80 HE2 HIS 12 HE2 HIS 12 -9.315 -2.691 -2.962
81 HA PRO 13 HA PRO 13 -3.567 -2.061 4.552
82 HB2 PRO 13 HB2 PRO 13 -4.970 -2.916 6.716
83 HB3 PRO 13 HB1 PRO 13 -4.999 -1.242 6.152
84 HG2 PRO 13 HG2 PRO 13 -6.988 -3.429 5.699
85 HG3 PRO 13 HG1 PRO 13 -7.270 -1.722 6.084
86 HD2 PRO 13 HD2 PRO 13 -7.488 -2.715 3.570
87 HD3 PRO 13 HD1 PRO 13 -6.971 -1.051 3.903
88 H GLU 14 HN GLU 14 -5.694 -4.677 3.719
89 HA GLU 14 HA GLU 14 -4.297 -6.721 5.141
90 HB2 GLU 14 HB2 GLU 14 -5.626 -7.910 2.953
91 HB3 GLU 14 HB1 GLU 14 -6.142 -7.868 4.628
92 HG2 GLU 14 HG2 GLU 14 -7.965 -7.055 3.442
93 HG3 GLU 14 HG1 GLU 14 -7.189 -5.607 4.070
94 H ILE 15 HN ILE 15 -4.347 -5.654 1.762
95 HA ILE 15 HA ILE 15 -2.399 -7.511 0.855
96 HB ILE 15 HB ILE 15 -3.042 -4.813 -0.349
97 HG12 ILE 15 HG12 ILE 15 -4.354 -7.504 -0.822
98 HG13 ILE 15 HG11 ILE 15 -5.093 -6.114 -0.039
99 HG21 ILE 15 HG21 ILE 15 -0.985 -6.016 -1.141
100 HG22 ILE 15 HG22 ILE 15 -2.183 -5.680 -2.391
101 HG23 ILE 15 HG23 ILE 15 -2.043 -7.304 -1.716
102 HD11 ILE 15 HD11 ILE 15 -4.306 -6.386 -2.925
103 HD12 ILE 15 HD12 ILE 15 -4.789 -4.859 -2.185
104 HD13 ILE 15 HD13 ILE 15 -5.926 -6.206 -2.251
105 H CYS 16 HN CYS 16 -2.210 -4.095 1.790
106 HA CYS 16 HA CYS 16 0.576 -3.854 1.384
107 HB2 CYS 16 HB2 CYS 16 -1.326 -2.217 3.065
108 HB3 CYS 16 HB1 CYS 16 0.343 -1.762 2.723
109 H GLY 17 HN GLY 17 -1.363 -4.777 4.172
110 HA2 GLY 17 HA2 GLY 17 0.908 -4.837 5.960
111 HA3 GLY 17 HA1 GLY 17 -0.724 -5.386 6.318
112 H GLY 18 HN GLY 18 1.478 -6.342 3.726
113 HA2 GLY 18 HA2 GLY 18 2.223 -8.825 4.894
114 HA3 GLY 18 HA1 GLY 18 0.902 -9.045 3.752
115 H ALA 19 HN ALA 19 1.511 -7.202 1.815
116 HA ALA 19 HA ALA 19 3.671 -8.528 0.446
117 HB1 ALA 19 HB1 ALA 19 3.052 -6.637 -1.288
118 HB2 ALA 19 HB2 ALA 19 1.610 -6.508 -0.279
119 HB3 ALA 19 HB3 ALA 19 2.012 -8.042 -1.051
120 H ALA 20 HN ALA 20 4.892 -7.536 2.537
121 HA ALA 20 HA ALA 20 5.838 -4.872 2.322
122 HB1 ALA 20 HB1 ALA 20 6.983 -5.296 4.231
123 HB2 ALA 20 HB2 ALA 20 7.531 -6.879 3.681
124 HB3 ALA 20 HB3 ALA 20 5.889 -6.679 4.294
125 H GLY 21 HN GLY 21 7.457 -4.028 1.178
126 HA2 GLY 21 HA2 GLY 21 9.329 -3.866 -0.155
127 HA3 GLY 21 HA1 GLY 21 9.696 -5.537 0.246
128 H GLY 22 HN GLY 22 6.671 -4.483 -1.166
129 HA2 GLY 22 HA2 GLY 22 7.342 -4.942 -3.869
130 HA3 GLY 22 HA1 GLY 22 6.645 -6.402 -3.177
Start of MODEL 19
1 H1 GLY 1 HN GLY 1 3.937 -5.080 -3.915
2 HA2 GLY 1 HA2 GLY 1 1.335 -4.756 -4.981
3 HA3 GLY 1 HA1 GLY 1 1.288 -4.586 -3.230
4 H HIS 2 HN HIS 2 0.714 -2.574 -5.196
5 HA HIS 2 HA HIS 2 2.924 -0.741 -5.330
6 HB2 HIS 2 HB2 HIS 2 0.985 -0.925 -6.986
7 HB3 HIS 2 HB1 HIS 2 0.001 -0.113 -5.782
8 HD1 HIS 2 HD1 HIS 2 -0.056 1.493 -8.103
9 HD2 HIS 2 HD2 HIS 2 3.271 1.658 -5.626
10 HE1 HIS 2 HE1 HIS 2 1.094 3.644 -8.671
11 HE2 HIS 2 HE2 HIS 2 2.866 3.866 -6.905
12 H CYS 3 HN CYS 3 2.731 -1.402 -2.726
13 HA CYS 3 HA CYS 3 1.034 0.328 -1.223
14 HB2 CYS 3 HB2 CYS 3 3.388 -1.378 -0.422
15 HB3 CYS 3 HB1 CYS 3 2.400 -0.472 0.722
16 H SER 4 HN SER 4 2.167 1.977 -2.895
17 HA SER 4 HA SER 4 4.109 3.513 -1.299
18 HB2 SER 4 HB2 SER 4 3.683 3.778 -4.283
19 HB3 SER 4 HB1 SER 4 5.030 4.390 -3.321
20 HG SER 4 HG SER 4 5.271 1.970 -2.841
21 H ASP 5 HN ASP 5 1.274 3.469 -3.320
22 HA ASP 5 HA ASP 5 0.598 6.213 -3.154
23 HB2 ASP 5 HB2 ASP 5 -1.268 3.875 -3.628
24 HB3 ASP 5 HB1 ASP 5 -1.538 5.550 -4.086
25 HA PRO 6 HA PRO 6 -0.858 6.409 1.026
26 HB2 PRO 6 HB2 PRO 6 -2.808 8.350 0.593
27 HB3 PRO 6 HB1 PRO 6 -1.107 8.666 0.944
28 HG2 PRO 6 HG2 PRO 6 -2.531 8.639 -1.678
29 HG3 PRO 6 HG1 PRO 6 -1.231 9.705 -1.116
30 HD2 PRO 6 HD2 PRO 6 -0.756 7.694 -2.826
31 HD3 PRO 6 HD1 PRO 6 0.419 8.138 -1.569
32 H ARG 7 HN ARG 7 -3.238 6.338 -1.606
33 HA ARG 7 HA ARG 7 -5.370 5.381 0.023
34 HB2 ARG 7 HB2 ARG 7 -5.036 5.323 -2.978
35 HB3 ARG 7 HB1 ARG 7 -6.525 4.950 -2.122
36 HG2 ARG 7 HG2 ARG 7 -5.096 7.596 -2.190
37 HG3 ARG 7 HG1 ARG 7 -6.623 7.187 -2.967
38 HD2 ARG 7 HD2 ARG 7 -6.093 7.265 0.002
39 HD3 ARG 7 HD1 ARG 7 -7.007 8.455 -0.921
40 HE ARG 7 HE ARG 7 -7.925 5.897 0.040
41 HH11 ARG 7 HH11 ARG 7 -8.435 8.383 -2.395
42 HH12 ARG 7 HH12 ARG 7 -10.072 7.921 -2.703
43 HH21 ARG 7 HH21 ARG 7 -10.068 5.289 -0.353
44 HH22 ARG 7 HH22 ARG 7 -11.009 6.157 -1.537
45 H PHE 8 HN PHE 8 -3.035 3.803 -2.126
46 HA PHE 8 HA PHE 8 -4.204 1.227 -1.974
47 HB2 PHE 8 HB2 PHE 8 -2.294 2.133 -3.543
48 HB3 PHE 8 HB1 PHE 8 -1.236 1.539 -2.265
49 HD1 PHE 8 HD1 PHE 8 -4.133 0.431 -4.327
50 HD2 PHE 8 HD2 PHE 8 -0.522 -0.655 -2.361
51 HE1 PHE 8 HE1 PHE 8 -4.339 -1.851 -5.221
52 HE2 PHE 8 HE2 PHE 8 -0.719 -2.938 -3.253
53 HZ PHE 8 HZ PHE 8 -2.628 -3.539 -4.686
54 H ASN 9 HN ASN 9 -1.967 2.955 0.112
55 HA ASN 9 HA ASN 9 -1.349 0.668 1.732
56 HB2 ASN 9 HB2 ASN 9 -0.830 3.612 1.951
57 HB3 ASN 9 HB1 ASN 9 -0.580 2.578 3.352
58 HD21 ASN 9 HD21 ASN 9 0.919 3.963 0.805
59 HD22 ASN 9 HD22 ASN 9 2.259 2.883 0.638
60 H TYR 10 HN TYR 10 -3.458 3.497 2.104
61 HA TYR 10 HA TYR 10 -4.419 2.732 4.670
62 HB2 TYR 10 HB2 TYR 10 -4.351 5.065 3.953
63 HB3 TYR 10 HB1 TYR 10 -5.505 4.722 2.672
64 HD1 TYR 10 HD1 TYR 10 -5.412 3.892 6.324
65 HD2 TYR 10 HD2 TYR 10 -7.518 5.734 3.118
66 HE1 TYR 10 HE1 TYR 10 -7.268 4.414 7.850
67 HE2 TYR 10 HE2 TYR 10 -9.378 6.263 4.635
68 HH TYR 10 HH TYR 10 -10.311 5.526 6.727
69 H ASP 11 HN ASP 11 -6.128 2.913 1.539
70 HA ASP 11 HA ASP 11 -8.424 1.551 2.544
71 HB2 ASP 11 HB2 ASP 11 -7.685 2.053 -0.343
72 HB3 ASP 11 HB1 ASP 11 -9.286 1.693 0.286
73 H HIS 12 HN HIS 12 -5.569 0.165 2.150
74 HA HIS 12 HA HIS 12 -6.771 -2.392 1.407
75 HB2 HIS 12 HB2 HIS 12 -4.159 -1.539 0.140
76 HB3 HIS 12 HB1 HIS 12 -5.074 -3.002 -0.180
77 HD1 HIS 12 HD1 HIS 12 -5.670 0.756 -0.524
78 HD2 HIS 12 HD2 HIS 12 -6.463 -2.819 -2.463
79 HE1 HIS 12 HE1 HIS 12 -6.887 1.389 -2.629
80 HE2 HIS 12 HE2 HIS 12 -7.558 -0.810 -3.658
81 HA PRO 13 HA PRO 13 -3.803 -2.382 5.054
82 HB2 PRO 13 HB2 PRO 13 -5.532 -3.664 6.745
83 HB3 PRO 13 HB1 PRO 13 -5.401 -1.907 6.616
84 HG2 PRO 13 HG2 PRO 13 -7.398 -3.757 5.378
85 HG3 PRO 13 HG1 PRO 13 -7.652 -2.165 6.118
86 HD2 PRO 13 HD2 PRO 13 -7.557 -2.507 3.446
87 HD3 PRO 13 HD1 PRO 13 -6.949 -1.036 4.231
88 H GLU 14 HN GLU 14 -5.979 -4.811 3.710
89 HA GLU 14 HA GLU 14 -4.575 -7.045 4.772
90 HB2 GLU 14 HB2 GLU 14 -5.972 -8.411 3.352
91 HB3 GLU 14 HB1 GLU 14 -6.945 -7.154 4.094
92 HG2 GLU 14 HG2 GLU 14 -5.959 -7.227 1.250
93 HG3 GLU 14 HG1 GLU 14 -7.613 -7.477 1.804
94 H ILE 15 HN ILE 15 -4.444 -5.374 1.638
95 HA ILE 15 HA ILE 15 -2.664 -7.221 0.427
96 HB ILE 15 HB ILE 15 -3.143 -4.307 -0.223
97 HG12 ILE 15 HG12 ILE 15 -4.232 -6.843 -1.464
98 HG13 ILE 15 HG11 ILE 15 -5.134 -5.738 -0.436
99 HG21 ILE 15 HG21 ILE 15 -2.027 -4.648 -2.292
100 HG22 ILE 15 HG22 ILE 15 -1.888 -6.383 -2.008
101 HG23 ILE 15 HG23 ILE 15 -0.951 -5.253 -1.031
102 HD11 ILE 15 HD11 ILE 15 -4.694 -5.647 -3.262
103 HD12 ILE 15 HD12 ILE 15 -4.095 -4.171 -2.504
104 HD13 ILE 15 HD13 ILE 15 -5.769 -4.670 -2.261
105 H CYS 16 HN CYS 16 -2.049 -3.995 1.827
106 HA CYS 16 HA CYS 16 0.766 -4.257 1.587
107 HB2 CYS 16 HB2 CYS 16 -0.931 -2.341 3.187
108 HB3 CYS 16 HB1 CYS 16 0.822 -2.217 3.038
109 H GLY 17 HN GLY 17 -1.505 -4.864 4.216
110 HA2 GLY 17 HA2 GLY 17 0.610 -5.474 6.096
111 HA3 GLY 17 HA1 GLY 17 -1.118 -5.639 6.372
112 H GLY 18 HN GLY 18 0.983 -7.035 3.880
113 HA2 GLY 18 HA2 GLY 18 1.111 -9.623 4.991
114 HA3 GLY 18 HA1 GLY 18 -0.238 -9.546 3.863
115 H ALA 19 HN ALA 19 0.552 -8.147 1.788
116 HA ALA 19 HA ALA 19 2.599 -9.812 0.607
117 HB1 ALA 19 HB1 ALA 19 0.419 -8.214 -0.348
118 HB2 ALA 19 HB2 ALA 19 1.355 -9.443 -1.198
119 HB3 ALA 19 HB3 ALA 19 1.901 -7.766 -1.193
120 H ALA 20 HN ALA 20 2.121 -6.387 1.291
121 HA ALA 20 HA ALA 20 3.497 -4.623 1.585
122 HB1 ALA 20 HB1 ALA 20 6.031 -5.690 2.078
123 HB2 ALA 20 HB2 ALA 20 4.886 -6.869 2.720
124 HB3 ALA 20 HB3 ALA 20 4.823 -5.192 3.265
125 H GLY 21 HN GLY 21 5.912 -6.847 0.214
126 HA2 GLY 21 HA2 GLY 21 6.854 -4.846 -1.609
127 HA3 GLY 21 HA1 GLY 21 7.385 -6.522 -1.533
128 H GLY 22 HN GLY 22 4.820 -7.701 -1.860
129 HA2 GLY 22 HA2 GLY 22 4.621 -7.540 -4.734
130 HA3 GLY 22 HA1 GLY 22 3.729 -8.630 -3.684
Start of MODEL 20
1 H1 GLY 1 HN GLY 1 2.974 -4.809 0.108
2 HA2 GLY 1 HA2 GLY 1 3.211 -5.289 -2.720
3 HA3 GLY 1 HA1 GLY 1 1.722 -5.019 -1.829
4 H HIS 2 HN HIS 2 0.692 -3.433 -2.870
5 HA HIS 2 HA HIS 2 2.081 -1.257 -4.147
6 HB2 HIS 2 HB2 HIS 2 -0.081 -2.299 -4.963
7 HB3 HIS 2 HB1 HIS 2 -0.891 -1.503 -3.623
8 HD1 HIS 2 HD1 HIS 2 -2.272 -0.408 -5.688
9 HD2 HIS 2 HD2 HIS 2 1.664 0.843 -5.209
10 HE1 HIS 2 HE1 HIS 2 -2.074 1.719 -7.010
11 HE2 HIS 2 HE2 HIS 2 0.251 2.557 -6.534
12 H CYS 3 HN CYS 3 2.702 -1.381 -1.419
13 HA CYS 3 HA CYS 3 1.165 0.397 0.164
14 HB2 CYS 3 HB2 CYS 3 4.088 -0.285 0.502
15 HB3 CYS 3 HB1 CYS 3 2.971 0.270 1.747
16 H SER 4 HN SER 4 3.311 0.941 -2.393
17 HA SER 4 HA SER 4 4.489 3.384 -1.652
18 HB2 SER 4 HB2 SER 4 5.256 2.030 -3.573
19 HB3 SER 4 HB1 SER 4 3.758 2.400 -4.425
20 HG SER 4 HG SER 4 4.735 4.710 -3.695
21 H ASP 5 HN ASP 5 1.309 2.551 -2.696
22 HA ASP 5 HA ASP 5 0.570 5.315 -3.265
23 HB2 ASP 5 HB2 ASP 5 -0.249 3.502 -4.739
24 HB3 ASP 5 HB1 ASP 5 -1.059 2.760 -3.368
25 HA PRO 6 HA PRO 6 -0.381 5.771 1.112
26 HB2 PRO 6 HB2 PRO 6 -1.600 8.235 0.749
27 HB3 PRO 6 HB1 PRO 6 0.124 7.986 1.032
28 HG2 PRO 6 HG2 PRO 6 -1.331 8.442 -1.533
29 HG3 PRO 6 HG1 PRO 6 0.253 9.046 -1.017
30 HD2 PRO 6 HD2 PRO 6 0.020 7.005 -2.744
31 HD3 PRO 6 HD1 PRO 6 1.319 7.054 -1.534
32 H ARG 7 HN ARG 7 -2.637 6.381 -1.516
33 HA ARG 7 HA ARG 7 -5.010 6.289 0.034
34 HB2 ARG 7 HB2 ARG 7 -5.199 7.334 -2.054
35 HB3 ARG 7 HB1 ARG 7 -4.348 6.042 -2.883
36 HG2 ARG 7 HG2 ARG 7 -6.368 4.586 -2.328
37 HG3 ARG 7 HG1 ARG 7 -7.188 6.100 -1.927
38 HD2 ARG 7 HD2 ARG 7 -7.541 5.318 -4.278
39 HD3 ARG 7 HD1 ARG 7 -6.867 6.943 -4.138
40 HE ARG 7 HE ARG 7 -4.761 5.082 -4.349
41 HH11 ARG 7 HH11 ARG 7 -7.306 6.468 -6.315
42 HH12 ARG 7 HH12 ARG 7 -6.424 6.299 -7.795
43 HH21 ARG 7 HH21 ARG 7 -3.599 4.853 -6.253
44 HH22 ARG 7 HH22 ARG 7 -4.294 5.376 -7.764
45 H PHE 8 HN PHE 8 -3.234 3.893 -1.863
46 HA PHE 8 HA PHE 8 -5.033 1.754 -1.568
47 HB2 PHE 8 HB2 PHE 8 -3.154 1.804 -3.197
48 HB3 PHE 8 HB1 PHE 8 -2.025 1.592 -1.861
49 HD1 PHE 8 HD1 PHE 8 -4.966 -0.001 -3.483
50 HD2 PHE 8 HD2 PHE 8 -1.439 -0.532 -1.167
51 HE1 PHE 8 HE1 PHE 8 -5.237 -2.440 -3.637
52 HE2 PHE 8 HE2 PHE 8 -1.697 -2.970 -1.319
53 HZ PHE 8 HZ PHE 8 -3.600 -3.928 -2.557
54 H ASN 9 HN ASN 9 -2.416 2.906 0.501
55 HA ASN 9 HA ASN 9 -2.264 0.695 2.222
56 HB2 ASN 9 HB2 ASN 9 -1.717 3.619 2.744
57 HB3 ASN 9 HB1 ASN 9 -1.385 2.347 3.917
58 HD21 ASN 9 HD21 ASN 9 0.127 4.263 1.921
59 HD22 ASN 9 HD22 ASN 9 1.394 3.243 1.338
60 H TYR 10 HN TYR 10 -4.414 3.461 2.181
61 HA TYR 10 HA TYR 10 -5.671 2.758 4.683
62 HB2 TYR 10 HB2 TYR 10 -5.445 5.118 3.921
63 HB3 TYR 10 HB1 TYR 10 -6.524 4.761 2.579
64 HD1 TYR 10 HD2 TYR 10 -6.652 3.965 6.232
65 HD2 TYR 10 HD1 TYR 10 -8.551 5.802 2.898
66 HE1 TYR 10 HE2 TYR 10 -8.589 4.511 7.645
67 HE2 TYR 10 HE1 TYR 10 -10.493 6.355 4.302
68 HH TYR 10 HH TYR 10 -11.270 4.982 6.989
69 H ASP 11 HN ASP 11 -6.394 2.582 1.253
70 HA ASP 11 HA ASP 11 -9.033 1.603 1.478
71 HB2 ASP 11 HB2 ASP 11 -8.331 2.703 -0.528
72 HB3 ASP 11 HB1 ASP 11 -7.016 1.561 -0.767
73 H HIS 12 HN HIS 12 -5.918 -0.075 1.038
74 HA HIS 12 HA HIS 12 -7.188 -2.525 1.995
75 HB2 HIS 12 HB2 HIS 12 -5.841 -2.259 -0.682
76 HB3 HIS 12 HB1 HIS 12 -5.973 -3.811 0.140
77 HD1 HIS 12 HD1 HIS 12 -8.567 -4.438 0.823
78 HD2 HIS 12 HD2 HIS 12 -7.957 -1.681 -2.230
79 HE1 HIS 12 HE1 HIS 12 -10.764 -4.284 -0.406
80 HE2 HIS 12 HE2 HIS 12 -10.430 -2.387 -2.034
81 HA PRO 13 HA PRO 13 -2.965 -1.778 3.818
82 HB2 PRO 13 HB2 PRO 13 -3.745 -2.540 6.332
83 HB3 PRO 13 HB1 PRO 13 -3.818 -0.877 5.742
84 HG2 PRO 13 HG2 PRO 13 -5.995 -2.917 5.932
85 HG3 PRO 13 HG1 PRO 13 -6.048 -1.184 6.303
86 HD2 PRO 13 HD2 PRO 13 -7.033 -2.189 4.003
87 HD3 PRO 13 HD1 PRO 13 -6.270 -0.588 4.083
88 H GLU 14 HN GLU 14 -5.317 -4.392 4.053
89 HA GLU 14 HA GLU 14 -3.540 -6.365 5.025
90 HB2 GLU 14 HB2 GLU 14 -5.231 -7.966 4.518
91 HB3 GLU 14 HB1 GLU 14 -6.045 -6.518 5.079
92 HG2 GLU 14 HG2 GLU 14 -5.712 -7.165 2.164
93 HG3 GLU 14 HG1 GLU 14 -7.075 -7.736 3.119
94 H ILE 15 HN ILE 15 -4.398 -5.323 1.764
95 HA ILE 15 HA ILE 15 -2.921 -7.398 0.466
96 HB ILE 15 HB ILE 15 -3.807 -4.743 -0.679
97 HG12 ILE 15 HG12 ILE 15 -5.161 -7.453 -0.707
98 HG13 ILE 15 HG11 ILE 15 -5.700 -6.043 0.197
99 HG21 ILE 15 HG21 ILE 15 -2.435 -5.418 -2.337
100 HG22 ILE 15 HG22 ILE 15 -3.777 -6.485 -2.749
101 HG23 ILE 15 HG23 ILE 15 -2.428 -7.095 -1.791
102 HD11 ILE 15 HD11 ILE 15 -6.273 -6.795 -2.497
103 HD12 ILE 15 HD12 ILE 15 -5.478 -5.221 -2.475
104 HD13 ILE 15 HD13 ILE 15 -6.949 -5.480 -1.536
105 H CYS 16 HN CYS 16 -2.236 -4.143 1.571
106 HA CYS 16 HA CYS 16 0.247 -3.796 0.269
107 HB2 CYS 16 HB2 CYS 16 -0.591 -1.813 1.159
108 HB3 CYS 16 HB1 CYS 16 -1.056 -2.570 2.678
109 H GLY 17 HN GLY 17 -0.631 -5.094 3.453
110 HA2 GLY 17 HA2 GLY 17 0.470 -6.656 4.747
111 HA3 GLY 17 HA1 GLY 17 1.607 -6.878 3.423
112 H GLY 18 HN GLY 18 0.725 -4.330 5.746
113 HA2 GLY 18 HA2 GLY 18 3.178 -3.010 5.774
114 HA3 GLY 18 HA1 GLY 18 2.010 -2.982 7.086
115 H ALA 19 HN ALA 19 2.063 -5.698 7.787
116 HA ALA 19 HA ALA 19 4.372 -5.762 9.447
117 HB1 ALA 19 HB1 ALA 19 1.946 -7.367 9.091
118 HB2 ALA 19 HB2 ALA 19 2.805 -6.918 10.565
119 HB3 ALA 19 HB3 ALA 19 3.359 -8.289 9.605
120 H ALA 20 HN ALA 20 3.382 -7.434 6.522
121 HA ALA 20 HA ALA 20 6.043 -7.897 5.669
122 HB1 ALA 20 HB1 ALA 20 6.022 -9.693 7.284
123 HB2 ALA 20 HB2 ALA 20 5.948 -10.380 5.661
124 HB3 ALA 20 HB3 ALA 20 4.489 -10.294 6.650
125 H GLY 21 HN GLY 21 5.857 -7.600 3.554
126 HA2 GLY 21 HA2 GLY 21 4.490 -9.091 1.736
127 HA3 GLY 21 HA1 GLY 21 3.326 -7.864 2.218
128 H GLY 22 HN GLY 22 4.368 -5.575 2.280
129 HA2 GLY 22 HA2 GLY 22 5.341 -3.836 1.135
130 HA3 GLY 22 HA1 GLY 22 6.500 -4.995 0.502