NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
21841 |
2i9m   |
7282 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA SER 1 HA SER 1 14.137 10.745 11.668
2 HG SER 1 HG SER 1 10.922 10.931 11.022
3 H1 SER 1 1H SER 1 14.127 9.647 8.943
4 HB2 SER 1 1HB SER 1 11.952 9.265 10.291
5 HB3 SER 1 2HB SER 1 12.254 8.870 11.983
6 H ALA 2 H ALA 2 14.430 9.083 13.342
7 HA ALA 2 HA ALA 2 16.625 7.437 12.826
8 HB1 ALA 2 3HB ALA 2 16.478 6.737 15.047
9 HB2 ALA 2 1HB ALA 2 15.764 8.350 15.061
10 HB3 ALA 2 2HB ALA 2 14.725 6.924 15.088
11 H ALA 3 H ALA 3 13.177 6.644 13.063
12 HA ALA 3 HA ALA 3 13.523 3.845 12.703
13 HB1 ALA 3 3HB ALA 3 11.369 5.622 13.216
14 HB2 ALA 3 1HB ALA 3 10.942 4.628 11.823
15 HB3 ALA 3 2HB ALA 3 11.401 3.863 13.345
16 H GLU 4 H GLU 4 13.626 6.495 10.562
17 HA GLU 4 HA GLU 4 12.894 4.939 8.219
18 HB2 GLU 4 1HB GLU 4 13.907 7.780 8.441
19 HB3 GLU 4 2HB GLU 4 13.297 7.021 6.977
20 HG2 GLU 4 1HG GLU 4 11.559 7.118 9.392
21 HG3 GLU 4 2HG GLU 4 11.772 8.572 8.419
22 H ALA 5 H ALA 5 15.711 5.826 9.974
23 HA ALA 5 HA ALA 5 17.498 5.251 7.742
24 HB1 ALA 5 3HB ALA 5 19.221 5.677 9.692
25 HB2 ALA 5 1HB ALA 5 18.403 7.013 8.881
26 HB3 ALA 5 2HB ALA 5 17.823 6.445 10.447
27 H TYR 6 H TYR 6 16.357 3.830 10.727
28 HA TYR 6 HA TYR 6 18.308 1.725 10.769
29 HD1 TYR 6 HD2 TYR 6 18.305 -0.287 13.007
30 HD2 TYR 6 HD1 TYR 6 14.239 0.744 12.297
31 HE1 TYR 6 HE2 TYR 6 17.625 -2.567 13.626
32 HE2 TYR 6 HE1 TYR 6 13.547 -1.533 12.915
33 HH TYR 6 HH TYR 6 14.684 -3.438 14.488
34 HB2 TYR 6 1HB TYR 6 17.529 2.094 12.900
35 HB3 TYR 6 2HB TYR 6 15.891 2.442 12.359
36 H ALA 7 H ALA 7 14.761 1.457 10.582
37 HA ALA 7 HA ALA 7 14.514 -1.077 9.662
38 HB1 ALA 7 3HB ALA 7 12.903 1.381 9.160
39 HB2 ALA 7 1HB ALA 7 12.492 -0.108 8.309
40 HB3 ALA 7 2HB ALA 7 12.491 -0.070 10.073
41 H LYS 8 H LYS 8 15.331 1.762 7.734
42 HA LYS 8 HA LYS 8 15.087 0.892 5.174
43 HB2 LYS 8 1HB LYS 8 16.273 3.032 6.322
44 HB3 LYS 8 2HB LYS 8 17.696 2.159 5.768
45 HG2 LYS 8 1HG LYS 8 17.232 3.543 3.986
46 HG3 LYS 8 2HG LYS 8 16.446 2.037 3.507
47 HD2 LYS 8 1HD LYS 8 14.368 2.914 3.679
48 HD3 LYS 8 2HD LYS 8 14.791 3.911 5.073
49 HE2 LYS 8 1HE LYS 8 16.185 4.784 2.701
50 HE3 LYS 8 2HE LYS 8 14.442 4.753 2.437
51 HZ1 LYS 8 3HZ LYS 8 14.735 5.884 4.904
52 HZ2 LYS 8 1HZ LYS 8 14.410 6.707 3.462
53 HZ3 LYS 8 2HZ LYS 8 16.003 6.555 4.008
54 H ARG 9 H ARG 9 18.065 0.439 7.092
55 HA ARG 9 HA ARG 9 19.357 -1.244 5.281
56 HE ARG 9 HE ARG 9 21.367 2.598 7.374
57 HB2 ARG 9 1HB ARG 9 19.811 -1.718 8.177
58 HB3 ARG 9 2HB ARG 9 20.974 -1.479 6.879
59 HG2 ARG 9 1HG ARG 9 19.882 0.971 6.963
60 HG3 ARG 9 2HG ARG 9 19.673 0.485 8.647
61 HD2 ARG 9 1HD ARG 9 21.878 0.581 9.076
62 HD3 ARG 9 2HD ARG 9 22.311 -0.121 7.518
63 HH11 ARG 9 2HH1 ARG 9 24.130 0.522 7.795
64 HH12 ARG 9 1HH1 ARG 9 25.271 1.716 7.270
65 HH21 ARG 9 2HH2 ARG 9 22.859 4.178 6.681
66 HH22 ARG 9 1HH2 ARG 9 24.547 3.796 6.638
67 H ILE 10 H ILE 10 17.708 -2.213 8.296
68 HA ILE 10 HA ILE 10 17.804 -4.883 8.220
69 HB ILE 10 HB ILE 10 15.078 -3.709 8.593
70 HG12 ILE 10 1HG1 ILE 10 16.377 -2.016 9.627
71 HG13 ILE 10 2HG1 ILE 10 15.861 -3.075 10.935
72 HG21 ILE 10 1HG2 ILE 10 15.183 -5.237 10.596
73 HG22 ILE 10 2HG2 ILE 10 15.234 -6.032 9.024
74 HG23 ILE 10 3HG2 ILE 10 16.716 -5.831 9.959
75 HD11 ILE 10 3HD1 ILE 10 18.493 -2.316 10.169
76 HD12 ILE 10 1HD1 ILE 10 17.970 -3.282 11.548
77 HD13 ILE 10 2HD1 ILE 10 18.326 -4.064 10.008
78 H ALA 11 H ALA 11 14.965 -3.305 6.753
79 HA ALA 11 HA ALA 11 13.845 -5.306 5.380
80 HB1 ALA 11 3HB ALA 11 14.120 -2.429 4.848
81 HB2 ALA 11 1HB ALA 11 13.665 -3.413 3.457
82 HB3 ALA 11 2HB ALA 11 12.677 -3.440 4.919
83 H GLU 12 H GLU 12 16.675 -3.489 4.233
84 HA GLU 12 HA GLU 12 16.969 -4.841 1.786
85 HB2 GLU 12 1HB GLU 12 18.544 -2.988 3.410
86 HB3 GLU 12 2HB GLU 12 19.535 -4.115 2.495
87 HG2 GLU 12 1HG GLU 12 17.893 -3.388 0.546
88 HG3 GLU 12 2HG GLU 12 17.760 -1.944 1.547
89 H ALA 13 H ALA 13 18.944 -5.231 4.734
90 HA ALA 13 HA ALA 13 20.334 -7.492 3.972
91 HB1 ALA 13 3HB ALA 13 19.695 -6.179 6.514
92 HB2 ALA 13 1HB ALA 13 20.071 -7.898 6.646
93 HB3 ALA 13 2HB ALA 13 21.232 -6.795 5.906
94 H MET 14 H MET 14 17.024 -7.196 4.914
95 HA MET 14 HA MET 14 16.699 -10.024 5.459
96 HB2 MET 14 1HB MET 14 14.697 -7.767 5.283
97 HB3 MET 14 2HB MET 14 14.290 -9.423 5.712
98 HG2 MET 14 1HG MET 14 16.376 -8.723 7.419
99 HG3 MET 14 2HG MET 14 15.335 -7.303 7.350
100 HE1 MET 14 3HE MET 14 15.770 -9.135 10.147
101 HE2 MET 14 1HE MET 14 14.832 -10.629 10.111
102 HE3 MET 14 2HE MET 14 16.160 -10.394 8.973
103 H ALA 15 H ALA 15 17.521 -8.890 2.763
104 HA ALA 15 HA ALA 15 15.498 -10.341 1.190
105 HB1 ALA 15 3HB ALA 15 15.419 -7.808 0.946
106 HB2 ALA 15 1HB ALA 15 16.968 -7.952 0.115
107 HB3 ALA 15 2HB ALA 15 15.539 -8.752 -0.539
108 H LYS 16 H LYS 16 18.691 -8.845 0.638
109 HA LYS 16 HA LYS 16 20.452 -9.612 -0.633
110 HB2 LYS 16 1HB LYS 16 20.753 -10.518 1.702
111 HB3 LYS 16 2HB LYS 16 20.082 -12.039 1.127
112 HG2 LYS 16 1HG LYS 16 21.911 -12.189 -0.519
113 HG3 LYS 16 2HG LYS 16 22.602 -10.710 0.152
114 HD2 LYS 16 1HD LYS 16 23.640 -11.901 1.715
115 HD3 LYS 16 2HD LYS 16 22.087 -12.502 2.298
116 HE2 LYS 16 1HE LYS 16 22.891 -14.513 1.711
117 HE3 LYS 16 2HE LYS 16 22.452 -14.024 0.075
118 HZ1 LYS 16 3HZ LYS 16 24.585 -14.405 -0.390
119 HZ2 LYS 16 1HZ LYS 16 25.053 -14.405 1.236
120 HZ3 LYS 16 2HZ LYS 16 24.911 -12.943 0.397
121 H GLY 17 H GLY 17 18.327 -9.931 -2.211
122 HA2 GLY 17 1HA GLY 17 18.492 -12.701 -3.216
123 HA3 GLY 17 2HA GLY 17 17.128 -11.624 -3.478
Start of MODEL 2
1 HA SER 1 HA SER 1 15.068 10.634 12.269
2 HG SER 1 HG SER 1 12.809 10.483 13.853
3 H1 SER 1 1H SER 1 13.878 10.118 9.754
4 HB2 SER 1 1HB SER 1 12.579 10.391 11.744
5 HB3 SER 1 2HB SER 1 12.848 8.648 11.777
6 H ALA 2 H ALA 2 15.061 8.680 13.928
7 HA ALA 2 HA ALA 2 17.226 6.992 13.119
8 HB1 ALA 2 3HB ALA 2 16.806 5.992 15.457
9 HB2 ALA 2 1HB ALA 2 17.361 7.663 15.340
10 HB3 ALA 2 2HB ALA 2 15.659 7.318 15.651
11 H ALA 3 H ALA 3 13.803 6.705 13.148
12 HA ALA 3 HA ALA 3 13.868 3.791 13.033
13 HB1 ALA 3 3HB ALA 3 11.502 3.854 13.204
14 HB2 ALA 3 1HB ALA 3 12.127 5.048 14.343
15 HB3 ALA 3 2HB ALA 3 11.451 5.570 12.799
16 H GLU 4 H GLU 4 13.959 6.446 10.924
17 HA GLU 4 HA GLU 4 12.802 4.977 8.684
18 HB2 GLU 4 1HB GLU 4 12.621 6.982 7.576
19 HB3 GLU 4 2HB GLU 4 12.524 7.535 9.242
20 HG2 GLU 4 1HG GLU 4 14.831 8.195 9.216
21 HG3 GLU 4 2HG GLU 4 15.050 7.503 7.610
22 H ALA 5 H ALA 5 15.859 5.768 10.049
23 HA ALA 5 HA ALA 5 17.305 5.147 7.592
24 HB1 ALA 5 3HB ALA 5 19.243 5.951 8.653
25 HB2 ALA 5 1HB ALA 5 17.950 7.035 9.169
26 HB3 ALA 5 2HB ALA 5 18.535 5.778 10.260
27 H TYR 6 H TYR 6 16.395 3.697 10.604
28 HA TYR 6 HA TYR 6 18.339 1.573 10.466
29 HD1 TYR 6 HD2 TYR 6 18.503 -0.488 12.614
30 HD2 TYR 6 HD1 TYR 6 14.418 0.689 12.442
31 HE1 TYR 6 HE2 TYR 6 17.827 -2.758 13.278
32 HE2 TYR 6 HE1 TYR 6 13.731 -1.577 13.106
33 HH TYR 6 HH TYR 6 15.761 -4.214 13.015
34 HB2 TYR 6 1HB TYR 6 17.785 1.930 12.667
35 HB3 TYR 6 2HB TYR 6 16.110 2.325 12.294
36 H ALA 7 H ALA 7 14.783 1.394 10.607
37 HA ALA 7 HA ALA 7 14.419 -1.140 9.685
38 HB1 ALA 7 3HB ALA 7 12.219 -0.345 8.783
39 HB2 ALA 7 1HB ALA 7 12.548 0.113 10.455
40 HB3 ALA 7 2HB ALA 7 12.733 1.299 9.162
41 H LYS 8 H LYS 8 15.248 1.691 7.806
42 HA LYS 8 HA LYS 8 14.636 0.868 5.240
43 HB2 LYS 8 1HB LYS 8 15.681 3.085 6.112
44 HB3 LYS 8 2HB LYS 8 17.220 2.281 5.828
45 HG2 LYS 8 1HG LYS 8 16.850 3.482 3.877
46 HG3 LYS 8 2HG LYS 8 16.333 1.846 3.462
47 HD2 LYS 8 1HD LYS 8 13.991 2.700 4.248
48 HD3 LYS 8 2HD LYS 8 14.689 4.294 3.949
49 HE2 LYS 8 1HE LYS 8 14.886 3.928 1.682
50 HE3 LYS 8 2HE LYS 8 14.942 2.175 1.863
51 HZ1 LYS 8 3HZ LYS 8 12.743 2.032 1.673
52 HZ2 LYS 8 1HZ LYS 8 12.771 3.630 1.118
53 HZ3 LYS 8 2HZ LYS 8 12.463 3.306 2.749
54 H ARG 9 H ARG 9 17.808 0.484 6.835
55 HA ARG 9 HA ARG 9 18.970 -1.125 4.882
56 HE ARG 9 HE ARG 9 20.979 2.634 8.167
57 HB2 ARG 9 1HB ARG 9 19.689 -1.653 7.716
58 HB3 ARG 9 2HB ARG 9 20.727 -1.361 6.327
59 HG2 ARG 9 1HG ARG 9 19.595 1.060 6.560
60 HG3 ARG 9 2HG ARG 9 19.545 0.536 8.244
61 HD2 ARG 9 1HD ARG 9 21.995 -0.065 7.978
62 HD3 ARG 9 2HD ARG 9 21.944 0.821 6.454
63 HH11 ARG 9 2HH1 ARG 9 23.770 0.559 8.333
64 HH12 ARG 9 1HH1 ARG 9 24.696 1.664 9.294
65 HH21 ARG 9 2HH2 ARG 9 22.189 4.097 9.432
66 HH22 ARG 9 1HH2 ARG 9 23.796 3.676 9.919
67 H ILE 10 H ILE 10 17.537 -2.183 7.976
68 HA ILE 10 HA ILE 10 17.716 -4.848 7.873
69 HB ILE 10 HB ILE 10 14.974 -3.767 8.380
70 HG12 ILE 10 1HG1 ILE 10 16.263 -2.039 9.368
71 HG13 ILE 10 2HG1 ILE 10 15.842 -3.123 10.689
72 HG21 ILE 10 1HG2 ILE 10 15.218 -5.304 10.363
73 HG22 ILE 10 2HG2 ILE 10 15.227 -6.087 8.784
74 HG23 ILE 10 3HG2 ILE 10 16.740 -5.843 9.654
75 HD11 ILE 10 3HD1 ILE 10 18.251 -4.109 9.780
76 HD12 ILE 10 1HD1 ILE 10 18.438 -2.359 9.668
77 HD13 ILE 10 2HD1 ILE 10 17.998 -3.102 11.206
78 H ALA 11 H ALA 11 14.764 -3.355 6.550
79 HA ALA 11 HA ALA 11 13.647 -5.383 5.214
80 HB1 ALA 11 3HB ALA 11 13.695 -2.513 4.848
81 HB2 ALA 11 1HB ALA 11 13.467 -3.364 3.319
82 HB3 ALA 11 2HB ALA 11 12.361 -3.652 4.663
83 H GLU 12 H GLU 12 16.358 -3.464 3.951
84 HA GLU 12 HA GLU 12 16.584 -4.789 1.483
85 HB2 GLU 12 1HB GLU 12 18.172 -2.899 3.049
86 HB3 GLU 12 2HB GLU 12 19.157 -3.989 2.084
87 HG2 GLU 12 1HG GLU 12 17.408 -3.301 0.214
88 HG3 GLU 12 2HG GLU 12 17.275 -1.868 1.232
89 H ALA 13 H ALA 13 18.701 -5.141 4.336
90 HA ALA 13 HA ALA 13 20.126 -7.350 3.491
91 HB1 ALA 13 3HB ALA 13 21.069 -6.581 5.388
92 HB2 ALA 13 1HB ALA 13 19.521 -6.121 6.099
93 HB3 ALA 13 2HB ALA 13 20.048 -7.804 6.147
94 H MET 14 H MET 14 16.831 -7.171 4.331
95 HA MET 14 HA MET 14 16.615 -10.007 4.962
96 HB2 MET 14 1HB MET 14 14.540 -7.814 4.833
97 HB3 MET 14 2HB MET 14 14.191 -9.484 5.260
98 HG2 MET 14 1HG MET 14 16.107 -9.026 7.036
99 HG3 MET 14 2HG MET 14 15.553 -7.367 6.816
100 HE1 MET 14 3HE MET 14 12.587 -7.509 6.265
101 HE2 MET 14 1HE MET 14 11.805 -7.575 7.845
102 HE3 MET 14 2HE MET 14 13.158 -6.476 7.577
103 H ALA 15 H ALA 15 17.375 -8.897 2.261
104 HA ALA 15 HA ALA 15 15.373 -10.407 0.724
105 HB1 ALA 15 3HB ALA 15 16.556 -7.731 0.016
106 HB2 ALA 15 1HB ALA 15 15.729 -8.767 -1.148
107 HB3 ALA 15 2HB ALA 15 14.856 -8.138 0.251
108 H LYS 16 H LYS 16 18.048 -11.072 1.816
109 HA LYS 16 HA LYS 16 19.399 -11.693 -0.729
110 HB2 LYS 16 1HB LYS 16 20.420 -10.272 1.452
111 HB3 LYS 16 2HB LYS 16 21.133 -11.874 1.587
112 HG2 LYS 16 1HG LYS 16 21.430 -11.305 -1.081
113 HG3 LYS 16 2HG LYS 16 21.679 -9.737 -0.310
114 HD2 LYS 16 1HD LYS 16 23.084 -11.557 1.271
115 HD3 LYS 16 2HD LYS 16 23.414 -12.045 -0.393
116 HE2 LYS 16 1HE LYS 16 25.075 -10.490 -0.031
117 HE3 LYS 16 2HE LYS 16 23.817 -9.494 -0.761
118 HZ1 LYS 16 3HZ LYS 16 24.909 -9.414 1.905
119 HZ2 LYS 16 1HZ LYS 16 23.218 -9.356 1.861
120 HZ3 LYS 16 2HZ LYS 16 24.127 -8.204 1.019
121 H GLY 17 H GLY 17 20.977 -13.639 -0.361
122 HA2 GLY 17 1HA GLY 17 20.187 -15.608 1.554
123 HA3 GLY 17 2HA GLY 17 19.506 -15.941 -0.032
Start of MODEL 3
1 HA SER 1 HA SER 1 14.022 10.407 12.270
2 HG SER 1 HG SER 1 12.252 10.182 13.593
3 H1 SER 1 1H SER 1 13.241 9.839 9.584
4 HB2 SER 1 1HB SER 1 11.720 9.345 10.938
5 HB3 SER 1 2HB SER 1 12.179 8.245 12.236
6 H ALA 2 H ALA 2 14.048 8.469 13.876
7 HA ALA 2 HA ALA 2 16.361 6.911 13.236
8 HB1 ALA 2 3HB ALA 2 15.868 5.893 15.531
9 HB2 ALA 2 1HB ALA 2 16.254 7.613 15.463
10 HB3 ALA 2 2HB ALA 2 14.578 7.091 15.642
11 H ALA 3 H ALA 3 12.961 6.422 13.031
12 HA ALA 3 HA ALA 3 13.190 3.521 12.935
13 HB1 ALA 3 3HB ALA 3 11.155 5.278 13.672
14 HB2 ALA 3 1HB ALA 3 10.603 4.536 12.170
15 HB3 ALA 3 2HB ALA 3 11.052 3.522 13.542
16 H GLU 4 H GLU 4 13.454 6.119 10.810
17 HA GLU 4 HA GLU 4 12.590 4.551 8.490
18 HB2 GLU 4 1HB GLU 4 12.303 6.515 7.347
19 HB3 GLU 4 2HB GLU 4 12.040 7.091 8.987
20 HG2 GLU 4 1HG GLU 4 14.283 7.943 9.105
21 HG3 GLU 4 2HG GLU 4 14.670 7.243 7.534
22 H ALA 5 H ALA 5 15.405 5.641 10.137
23 HA ALA 5 HA ALA 5 17.149 5.170 7.850
24 HB1 ALA 5 3HB ALA 5 18.544 6.579 8.854
25 HB2 ALA 5 1HB ALA 5 17.294 6.848 10.069
26 HB3 ALA 5 2HB ALA 5 18.536 5.625 10.337
27 H TYR 6 H TYR 6 15.995 3.554 10.667
28 HA TYR 6 HA TYR 6 18.139 1.603 10.702
29 HD1 TYR 6 HD1 TYR 6 18.302 -0.534 12.555
30 HD2 TYR 6 HD2 TYR 6 14.174 0.491 12.687
31 HE1 TYR 6 HE1 TYR 6 17.751 -2.854 13.159
32 HE2 TYR 6 HE2 TYR 6 13.612 -1.826 13.292
33 HH TYR 6 HH TYR 6 15.870 -4.049 14.350
34 HB2 TYR 6 1HB TYR 6 17.411 1.899 12.861
35 HB3 TYR 6 2HB TYR 6 15.742 2.175 12.377
36 H ALA 7 H ALA 7 14.611 1.127 10.649
37 HA ALA 7 HA ALA 7 14.522 -1.405 9.649
38 HB1 ALA 7 3HB ALA 7 12.505 -0.390 10.361
39 HB2 ALA 7 1HB ALA 7 12.644 0.894 9.159
40 HB3 ALA 7 2HB ALA 7 12.297 -0.759 8.649
41 H LYS 8 H LYS 8 15.039 1.569 7.848
42 HA LYS 8 HA LYS 8 14.630 0.834 5.258
43 HB2 LYS 8 1HB LYS 8 15.344 3.055 5.724
44 HB3 LYS 8 2HB LYS 8 16.844 2.496 6.453
45 HG2 LYS 8 1HG LYS 8 17.892 2.326 4.477
46 HG3 LYS 8 2HG LYS 8 16.461 1.701 3.654
47 HD2 LYS 8 1HD LYS 8 15.607 3.838 3.261
48 HD3 LYS 8 2HD LYS 8 16.627 4.574 4.500
49 HE2 LYS 8 1HE LYS 8 18.608 4.060 3.098
50 HE3 LYS 8 2HE LYS 8 17.524 3.464 1.843
51 HZ1 LYS 8 3HZ LYS 8 16.528 5.660 1.709
52 HZ2 LYS 8 1HZ LYS 8 18.194 5.746 1.426
53 HZ3 LYS 8 2HZ LYS 8 17.563 6.232 2.918
54 H ARG 9 H ARG 9 17.808 0.521 6.857
55 HA ARG 9 HA ARG 9 19.018 -1.008 4.871
56 HE ARG 9 HE ARG 9 21.209 2.332 5.927
57 HB2 ARG 9 1HB ARG 9 19.775 -1.556 7.692
58 HB3 ARG 9 2HB ARG 9 20.793 -1.202 6.302
59 HG2 ARG 9 1HG ARG 9 19.570 1.170 6.581
60 HG3 ARG 9 2HG ARG 9 19.551 0.618 8.257
61 HD2 ARG 9 1HD ARG 9 21.701 1.127 8.479
62 HD3 ARG 9 2HD ARG 9 22.114 0.073 7.127
63 HH11 ARG 9 2HH1 ARG 9 23.631 1.679 8.341
64 HH12 ARG 9 1HH1 ARG 9 24.634 3.016 7.884
65 HH21 ARG 9 2HH2 ARG 9 22.521 4.095 5.315
66 HH22 ARG 9 1HH2 ARG 9 24.001 4.390 6.163
67 H ILE 10 H ILE 10 17.675 -2.185 7.963
68 HA ILE 10 HA ILE 10 17.952 -4.838 7.795
69 HB ILE 10 HB ILE 10 15.183 -3.874 8.381
70 HG12 ILE 10 1HG1 ILE 10 16.426 -2.121 9.383
71 HG13 ILE 10 2HG1 ILE 10 16.073 -3.250 10.687
72 HG21 ILE 10 1HG2 ILE 10 15.527 -5.445 10.323
73 HG22 ILE 10 2HG2 ILE 10 15.527 -6.191 8.726
74 HG23 ILE 10 3HG2 ILE 10 17.051 -5.911 9.568
75 HD11 ILE 10 3HD1 ILE 10 18.524 -4.063 9.608
76 HD12 ILE 10 1HD1 ILE 10 18.598 -2.306 9.733
77 HD13 ILE 10 2HD1 ILE 10 18.230 -3.277 11.159
78 H ALA 11 H ALA 11 14.919 -3.429 6.566
79 HA ALA 11 HA ALA 11 13.850 -5.466 5.205
80 HB1 ALA 11 3HB ALA 11 13.472 -3.490 3.355
81 HB2 ALA 11 1HB ALA 11 12.511 -3.716 4.817
82 HB3 ALA 11 2HB ALA 11 13.852 -2.570 4.811
83 H GLU 12 H GLU 12 16.464 -3.421 3.932
84 HA GLU 12 HA GLU 12 16.688 -4.683 1.431
85 HB2 GLU 12 1HB GLU 12 18.237 -2.770 3.009
86 HB3 GLU 12 2HB GLU 12 19.241 -3.802 2.000
87 HG2 GLU 12 1HG GLU 12 17.431 -3.139 0.181
88 HG3 GLU 12 2HG GLU 12 17.268 -1.733 1.232
89 H ALA 13 H ALA 13 18.875 -5.018 4.233
90 HA ALA 13 HA ALA 13 20.332 -7.181 3.289
91 HB1 ALA 13 3HB ALA 13 20.314 -7.598 5.996
92 HB2 ALA 13 1HB ALA 13 21.393 -6.500 5.134
93 HB3 ALA 13 2HB ALA 13 19.913 -5.885 5.870
94 H MET 14 H MET 14 17.089 -7.079 4.348
95 HA MET 14 HA MET 14 17.008 -9.964 4.844
96 HB2 MET 14 1HB MET 14 15.009 -7.756 5.319
97 HB3 MET 14 2HB MET 14 14.605 -9.458 5.498
98 HG2 MET 14 1HG MET 14 16.954 -9.073 6.969
99 HG3 MET 14 2HG MET 14 15.920 -7.693 7.331
100 HE1 MET 14 3HE MET 14 16.468 -11.277 7.081
101 HE2 MET 14 1HE MET 14 15.777 -11.921 8.571
102 HE3 MET 14 2HE MET 14 14.813 -11.889 7.094
103 H ALA 15 H ALA 15 17.383 -8.738 2.172
104 HA ALA 15 HA ALA 15 15.056 -9.975 0.856
105 HB1 ALA 15 3HB ALA 15 14.674 -8.203 -0.467
106 HB2 ALA 15 1HB ALA 15 15.536 -7.305 0.782
107 HB3 ALA 15 2HB ALA 15 16.390 -7.849 -0.662
108 H LYS 16 H LYS 16 18.478 -9.115 0.628
109 HA LYS 16 HA LYS 16 19.281 -10.154 -1.726
110 HB2 LYS 16 1HB LYS 16 21.417 -10.403 -0.832
111 HB3 LYS 16 2HB LYS 16 20.677 -9.231 0.251
112 HG2 LYS 16 1HG LYS 16 20.042 -11.454 1.571
113 HG3 LYS 16 2HG LYS 16 21.494 -12.029 0.749
114 HD2 LYS 16 1HD LYS 16 21.582 -9.387 2.122
115 HD3 LYS 16 2HD LYS 16 21.628 -10.852 3.105
116 HE2 LYS 16 1HE LYS 16 23.415 -11.142 0.894
117 HE3 LYS 16 2HE LYS 16 23.747 -9.614 1.707
118 HZ1 LYS 16 3HZ LYS 16 24.897 -11.757 2.523
119 HZ2 LYS 16 1HZ LYS 16 23.421 -12.077 3.286
120 HZ3 LYS 16 2HZ LYS 16 24.281 -10.672 3.666
121 H GLY 17 H GLY 17 18.196 -11.984 1.060
122 HA2 GLY 17 1HA GLY 17 19.066 -14.536 0.242
123 HA3 GLY 17 2HA GLY 17 17.736 -14.214 1.345
Start of MODEL 4
1 HA SER 1 HA SER 1 14.483 10.598 11.285
2 HG SER 1 HG SER 1 12.277 11.491 11.849
3 H1 SER 1 1H SER 1 13.161 9.785 8.969
4 HB2 SER 1 1HB SER 1 11.901 9.654 10.607
5 HB3 SER 1 2HB SER 1 12.468 8.663 11.951
6 H ALA 2 H ALA 2 14.464 8.949 13.278
7 HA ALA 2 HA ALA 2 16.684 7.277 12.924
8 HB1 ALA 2 3HB ALA 2 16.431 6.665 15.178
9 HB2 ALA 2 1HB ALA 2 15.813 8.314 15.078
10 HB3 ALA 2 2HB ALA 2 14.692 6.954 15.149
11 H ALA 3 H ALA 3 13.223 6.528 13.089
12 HA ALA 3 HA ALA 3 13.605 3.703 12.838
13 HB1 ALA 3 3HB ALA 3 11.588 5.069 13.811
14 HB2 ALA 3 1HB ALA 3 11.017 5.005 12.144
15 HB3 ALA 3 2HB ALA 3 11.327 3.511 13.028
16 H GLU 4 H GLU 4 13.579 6.314 10.645
17 HA GLU 4 HA GLU 4 12.783 4.711 8.358
18 HB2 GLU 4 1HB GLU 4 13.773 7.563 8.522
19 HB3 GLU 4 2HB GLU 4 13.171 6.782 7.067
20 HG2 GLU 4 1HG GLU 4 11.203 6.446 9.056
21 HG3 GLU 4 2HG GLU 4 11.723 8.130 9.114
22 H ALA 5 H ALA 5 15.662 5.660 9.985
23 HA ALA 5 HA ALA 5 17.372 5.055 7.705
24 HB1 ALA 5 3HB ALA 5 18.714 5.472 10.254
25 HB2 ALA 5 1HB ALA 5 18.915 6.311 8.715
26 HB3 ALA 5 2HB ALA 5 17.628 6.793 9.822
27 H TYR 6 H TYR 6 16.289 3.627 10.698
28 HA TYR 6 HA TYR 6 18.260 1.543 10.735
29 HD1 TYR 6 HD2 TYR 6 18.272 -0.542 12.769
30 HD2 TYR 6 HD1 TYR 6 14.181 0.576 12.434
31 HE1 TYR 6 HE2 TYR 6 17.603 -2.830 13.374
32 HE2 TYR 6 HE1 TYR 6 13.500 -1.709 13.039
33 HH TYR 6 HH TYR 6 15.264 -4.269 12.829
34 HB2 TYR 6 1HB TYR 6 17.471 1.889 12.864
35 HB3 TYR 6 2HB TYR 6 15.832 2.229 12.320
36 H ALA 7 H ALA 7 14.725 1.175 10.596
37 HA ALA 7 HA ALA 7 14.527 -1.342 9.638
38 HB1 ALA 7 3HB ALA 7 12.851 1.079 9.124
39 HB2 ALA 7 1HB ALA 7 12.458 -0.454 8.345
40 HB3 ALA 7 2HB ALA 7 12.497 -0.343 10.105
41 H LYS 8 H LYS 8 15.035 1.555 7.650
42 HA LYS 8 HA LYS 8 14.852 0.694 5.120
43 HB2 LYS 8 1HB LYS 8 16.090 2.825 6.332
44 HB3 LYS 8 2HB LYS 8 17.440 2.008 5.555
45 HG2 LYS 8 1HG LYS 8 15.685 2.004 3.526
46 HG3 LYS 8 2HG LYS 8 15.166 3.463 4.373
47 HD2 LYS 8 1HD LYS 8 18.039 3.362 4.197
48 HD3 LYS 8 2HD LYS 8 17.315 3.195 2.596
49 HE2 LYS 8 1HE LYS 8 16.280 5.266 2.708
50 HE3 LYS 8 2HE LYS 8 16.344 5.314 4.470
51 HZ1 LYS 8 3HZ LYS 8 18.263 6.387 4.378
52 HZ2 LYS 8 1HZ LYS 8 18.116 6.479 2.695
53 HZ3 LYS 8 2HZ LYS 8 18.959 5.194 3.401
54 H ARG 9 H ARG 9 17.922 0.360 6.914
55 HA ARG 9 HA ARG 9 19.208 -1.280 5.077
56 HE ARG 9 HE ARG 9 20.985 2.612 8.113
57 HB2 ARG 9 1HB ARG 9 19.739 -1.757 7.963
58 HB3 ARG 9 2HB ARG 9 20.867 -1.493 6.640
59 HG2 ARG 9 1HG ARG 9 19.724 0.932 6.747
60 HG3 ARG 9 2HG ARG 9 19.560 0.443 8.435
61 HD2 ARG 9 1HD ARG 9 21.914 0.101 8.639
62 HD3 ARG 9 2HD ARG 9 22.149 0.303 6.903
63 HH11 ARG 9 2HH1 ARG 9 23.985 0.933 7.566
64 HH12 ARG 9 1HH1 ARG 9 24.957 2.362 7.685
65 HH21 ARG 9 2HH2 ARG 9 22.254 4.501 8.271
66 HH22 ARG 9 1HH2 ARG 9 23.971 4.391 8.086
67 H ILE 10 H ILE 10 17.704 -2.349 8.135
68 HA ILE 10 HA ILE 10 17.876 -5.013 7.999
69 HB ILE 10 HB ILE 10 15.136 -3.931 8.516
70 HG12 ILE 10 1HG1 ILE 10 16.428 -2.218 9.526
71 HG13 ILE 10 2HG1 ILE 10 16.002 -3.318 10.834
72 HG21 ILE 10 1HG2 ILE 10 15.379 -5.492 10.483
73 HG22 ILE 10 2HG2 ILE 10 15.375 -6.254 8.894
74 HG23 ILE 10 3HG2 ILE 10 16.895 -6.030 9.760
75 HD11 ILE 10 3HD1 ILE 10 18.442 -4.235 9.808
76 HD12 ILE 10 1HD1 ILE 10 18.581 -2.482 9.935
77 HD13 ILE 10 2HD1 ILE 10 18.144 -3.437 11.352
78 H ALA 11 H ALA 11 14.929 -3.495 6.691
79 HA ALA 11 HA ALA 11 13.809 -5.503 5.327
80 HB1 ALA 11 3HB ALA 11 14.086 -2.617 4.619
81 HB2 ALA 11 1HB ALA 11 13.287 -3.719 3.497
82 HB3 ALA 11 2HB ALA 11 12.659 -3.518 5.133
83 H GLU 12 H GLU 12 16.528 -3.577 4.092
84 HA GLU 12 HA GLU 12 16.754 -4.872 1.608
85 HB2 GLU 12 1HB GLU 12 18.345 -3.006 3.201
86 HB3 GLU 12 2HB GLU 12 19.328 -4.086 2.223
87 HG2 GLU 12 1HG GLU 12 17.586 -3.371 0.359
88 HG3 GLU 12 2HG GLU 12 17.454 -1.950 1.394
89 H ALA 13 H ALA 13 18.866 -5.265 4.460
90 HA ALA 13 HA ALA 13 20.289 -7.464 3.593
91 HB1 ALA 13 3HB ALA 13 20.340 -7.987 6.173
92 HB2 ALA 13 1HB ALA 13 21.163 -6.575 5.510
93 HB3 ALA 13 2HB ALA 13 19.586 -6.396 6.280
94 H MET 14 H MET 14 17.044 -7.308 4.860
95 HA MET 14 HA MET 14 16.838 -10.173 5.211
96 HB2 MET 14 1HB MET 14 14.805 -7.949 5.422
97 HB3 MET 14 2HB MET 14 14.433 -9.644 5.710
98 HG2 MET 14 1HG MET 14 16.670 -9.086 7.289
99 HG3 MET 14 2HG MET 14 15.595 -7.702 7.472
100 HE1 MET 14 3HE MET 14 12.611 -8.809 9.249
101 HE2 MET 14 1HE MET 14 14.036 -8.011 9.914
102 HE3 MET 14 2HE MET 14 13.478 -7.609 8.290
103 H ALA 15 H ALA 15 17.275 -8.690 2.534
104 HA ALA 15 HA ALA 15 15.156 -10.121 1.068
105 HB1 ALA 15 3HB ALA 15 16.218 -7.370 0.706
106 HB2 ALA 15 1HB ALA 15 15.751 -8.280 -0.731
107 HB3 ALA 15 2HB ALA 15 14.571 -7.979 0.545
108 H LYS 16 H LYS 16 17.871 -10.969 1.896
109 HA LYS 16 HA LYS 16 18.950 -11.527 -0.789
110 HB2 LYS 16 1HB LYS 16 20.234 -10.137 1.272
111 HB3 LYS 16 2HB LYS 16 20.941 -11.747 1.305
112 HG2 LYS 16 1HG LYS 16 21.935 -11.507 -0.721
113 HG3 LYS 16 2HG LYS 16 20.680 -10.429 -1.335
114 HD2 LYS 16 1HD LYS 16 21.801 -8.603 -0.696
115 HD3 LYS 16 2HD LYS 16 22.152 -9.280 0.897
116 HE2 LYS 16 1HE LYS 16 23.633 -10.400 -1.413
117 HE3 LYS 16 2HE LYS 16 24.050 -8.764 -0.907
118 HZ1 LYS 16 3HZ LYS 16 23.824 -10.589 1.292
119 HZ2 LYS 16 1HZ LYS 16 25.077 -9.523 0.898
120 HZ3 LYS 16 2HZ LYS 16 25.015 -11.055 0.184
121 H GLY 17 H GLY 17 18.656 -13.598 -1.268
122 HA2 GLY 17 1HA GLY 17 18.724 -15.567 0.930
123 HA3 GLY 17 2HA GLY 17 17.822 -15.771 -0.565
Start of MODEL 5
1 HA SER 1 HA SER 1 14.334 10.535 11.696
2 HG SER 1 HG SER 1 12.676 10.471 12.893
3 H1 SER 1 1H SER 1 14.712 9.161 9.167
4 HB2 SER 1 1HB SER 1 12.097 9.554 10.329
5 HB3 SER 1 2HB SER 1 12.441 8.343 11.564
6 H ALA 2 H ALA 2 14.240 8.854 13.526
7 HA ALA 2 HA ALA 2 16.560 7.252 13.366
8 HB1 ALA 2 3HB ALA 2 15.771 6.378 15.599
9 HB2 ALA 2 1HB ALA 2 15.975 8.126 15.485
10 HB3 ALA 2 2HB ALA 2 14.360 7.420 15.411
11 H ALA 3 H ALA 3 13.119 6.508 13.139
12 HA ALA 3 HA ALA 3 13.608 3.660 12.944
13 HB1 ALA 3 3HB ALA 3 11.089 5.297 12.713
14 HB2 ALA 3 1HB ALA 3 11.142 3.539 12.583
15 HB3 ALA 3 2HB ALA 3 11.617 4.326 14.088
16 H GLU 4 H GLU 4 13.528 6.321 10.832
17 HA GLU 4 HA GLU 4 12.765 4.768 8.498
18 HB2 GLU 4 1HB GLU 4 13.588 7.652 8.845
19 HB3 GLU 4 2HB GLU 4 13.214 6.931 7.286
20 HG2 GLU 4 1HG GLU 4 11.029 6.268 8.814
21 HG3 GLU 4 2HG GLU 4 11.439 7.887 9.377
22 H ALA 5 H ALA 5 15.612 5.726 10.163
23 HA ALA 5 HA ALA 5 17.345 5.266 7.869
24 HB1 ALA 5 3HB ALA 5 19.070 5.610 9.897
25 HB2 ALA 5 1HB ALA 5 18.339 6.945 9.006
26 HB3 ALA 5 2HB ALA 5 17.662 6.444 10.556
27 H TYR 6 H TYR 6 16.222 3.639 10.725
28 HA TYR 6 HA TYR 6 18.253 1.586 10.625
29 HD1 TYR 6 HD1 TYR 6 18.379 -0.584 12.527
30 HD2 TYR 6 HD2 TYR 6 14.279 0.555 12.553
31 HE1 TYR 6 HE1 TYR 6 17.746 -2.896 13.078
32 HE2 TYR 6 HE2 TYR 6 13.635 -1.754 13.105
33 HH TYR 6 HH TYR 6 14.346 -3.860 13.328
34 HB2 TYR 6 1HB TYR 6 17.585 1.849 12.808
35 HB3 TYR 6 2HB TYR 6 15.918 2.206 12.370
36 H ALA 7 H ALA 7 14.702 1.300 10.596
37 HA ALA 7 HA ALA 7 14.412 -1.196 9.597
38 HB1 ALA 7 3HB ALA 7 12.793 1.278 9.289
39 HB2 ALA 7 1HB ALA 7 12.357 -0.134 8.326
40 HB3 ALA 7 2HB ALA 7 12.395 -0.243 10.087
41 H LYS 8 H LYS 8 15.116 1.711 7.715
42 HA LYS 8 HA LYS 8 14.793 0.889 5.147
43 HB2 LYS 8 1HB LYS 8 15.580 3.113 5.661
44 HB3 LYS 8 2HB LYS 8 17.090 2.477 6.301
45 HG2 LYS 8 1HG LYS 8 17.296 1.484 3.864
46 HG3 LYS 8 2HG LYS 8 16.214 2.827 3.487
47 HD2 LYS 8 1HD LYS 8 17.790 4.397 4.475
48 HD3 LYS 8 2HD LYS 8 18.858 3.065 4.926
49 HE2 LYS 8 1HE LYS 8 18.226 2.920 2.129
50 HE3 LYS 8 2HE LYS 8 18.836 4.526 2.524
51 HZ1 LYS 8 3HZ LYS 8 20.876 3.732 2.998
52 HZ2 LYS 8 1HZ LYS 8 20.410 2.466 1.977
53 HZ3 LYS 8 2HZ LYS 8 20.300 2.283 3.654
54 H ARG 9 H ARG 9 17.832 0.453 6.969
55 HA ARG 9 HA ARG 9 19.124 -1.132 5.072
56 HE ARG 9 HE ARG 9 21.819 2.439 8.936
57 HB2 ARG 9 1HB ARG 9 19.648 -1.701 7.939
58 HB3 ARG 9 2HB ARG 9 20.778 -1.389 6.629
59 HG2 ARG 9 1HG ARG 9 19.634 1.031 6.824
60 HG3 ARG 9 2HG ARG 9 19.470 0.479 8.493
61 HD2 ARG 9 1HD ARG 9 21.812 0.162 8.708
62 HD3 ARG 9 2HD ARG 9 22.065 0.360 6.974
63 HH11 ARG 9 2HH1 ARG 9 21.411 1.628 5.575
64 HH12 ARG 9 1HH1 ARG 9 21.582 3.261 5.025
65 HH21 ARG 9 2HH2 ARG 9 22.047 4.594 8.224
66 HH22 ARG 9 1HH2 ARG 9 21.945 4.948 6.533
67 H ILE 10 H ILE 10 17.595 -2.264 8.094
68 HA ILE 10 HA ILE 10 17.739 -4.919 7.914
69 HB ILE 10 HB ILE 10 14.993 -3.829 8.378
70 HG12 ILE 10 1HG1 ILE 10 16.283 -2.143 9.445
71 HG13 ILE 10 2HG1 ILE 10 15.794 -3.251 10.722
72 HG21 ILE 10 1HG2 ILE 10 15.205 -6.159 8.723
73 HG22 ILE 10 2HG2 ILE 10 16.706 -5.962 9.626
74 HG23 ILE 10 3HG2 ILE 10 15.179 -5.425 10.326
75 HD11 ILE 10 3HD1 ILE 10 18.199 -2.406 10.718
76 HD12 ILE 10 1HD1 ILE 10 17.936 -4.137 10.932
77 HD13 ILE 10 2HD1 ILE 10 18.449 -3.509 9.365
78 H ALA 11 H ALA 11 14.836 -3.364 6.554
79 HA ALA 11 HA ALA 11 13.734 -5.338 5.133
80 HB1 ALA 11 3HB ALA 11 13.148 -3.605 3.367
81 HB2 ALA 11 1HB ALA 11 12.698 -3.231 5.031
82 HB3 ALA 11 2HB ALA 11 14.119 -2.475 4.310
83 H GLU 12 H GLU 12 16.500 -3.423 3.984
84 HA GLU 12 HA GLU 12 16.781 -4.708 1.500
85 HB2 GLU 12 1HB GLU 12 18.340 -2.857 3.140
86 HB3 GLU 12 2HB GLU 12 19.342 -3.937 2.182
87 HG2 GLU 12 1HG GLU 12 17.648 -3.204 0.280
88 HG3 GLU 12 2HG GLU 12 17.500 -1.787 1.318
89 H ALA 13 H ALA 13 18.822 -5.123 4.399
90 HA ALA 13 HA ALA 13 20.232 -7.345 3.540
91 HB1 ALA 13 3HB ALA 13 21.152 -6.504 5.441
92 HB2 ALA 13 1HB ALA 13 19.587 -6.182 6.189
93 HB3 ALA 13 2HB ALA 13 20.227 -7.825 6.154
94 H MET 14 H MET 14 16.942 -7.113 4.438
95 HA MET 14 HA MET 14 16.699 -9.971 4.978
96 HB2 MET 14 1HB MET 14 14.662 -7.740 5.051
97 HB3 MET 14 2HB MET 14 14.309 -9.420 5.430
98 HG2 MET 14 1HG MET 14 16.207 -9.172 7.169
99 HG3 MET 14 2HG MET 14 15.941 -7.443 6.959
100 HE1 MET 14 3HE MET 14 14.162 -9.856 9.980
101 HE2 MET 14 1HE MET 14 14.018 -10.826 8.514
102 HE3 MET 14 2HE MET 14 15.572 -10.117 8.952
103 H ALA 15 H ALA 15 17.307 -8.668 2.291
104 HA ALA 15 HA ALA 15 15.068 -9.842 0.777
105 HB1 ALA 15 3HB ALA 15 15.447 -8.320 -0.965
106 HB2 ALA 15 1HB ALA 15 15.586 -7.360 0.508
107 HB3 ALA 15 2HB ALA 15 17.039 -7.877 -0.349
108 H LYS 16 H LYS 16 18.551 -9.709 1.159
109 HA LYS 16 HA LYS 16 19.501 -11.009 -1.039
110 HB2 LYS 16 1HB LYS 16 20.524 -10.340 1.426
111 HB3 LYS 16 2HB LYS 16 20.626 -12.096 1.440
112 HG2 LYS 16 1HG LYS 16 22.064 -12.147 -0.396
113 HG3 LYS 16 2HG LYS 16 21.660 -10.496 -0.872
114 HD2 LYS 16 1HD LYS 16 22.647 -10.251 1.714
115 HD3 LYS 16 2HD LYS 16 23.696 -11.451 0.954
116 HE2 LYS 16 1HE LYS 16 24.802 -9.721 0.081
117 HE3 LYS 16 2HE LYS 16 23.420 -9.523 -0.995
118 HZ1 LYS 16 3HZ LYS 16 23.344 -8.277 1.662
119 HZ2 LYS 16 1HZ LYS 16 22.600 -7.787 0.223
120 HZ3 LYS 16 2HZ LYS 16 24.260 -7.544 0.443
121 H GLY 17 H GLY 17 18.393 -12.649 1.935
122 HA2 GLY 17 1HA GLY 17 16.906 -14.634 0.685
123 HA3 GLY 17 2HA GLY 17 18.546 -15.252 0.813
Start of MODEL 6
1 HA SER 1 HA SER 1 13.105 10.500 10.732
2 HG SER 1 HG SER 1 11.491 9.890 12.017
3 H1 SER 1 1H SER 1 12.813 9.717 8.111
4 HB2 SER 1 1HB SER 1 11.100 9.349 9.315
5 HB3 SER 1 2HB SER 1 11.568 8.000 10.350
6 H ALA 2 H ALA 2 12.898 8.748 12.605
7 HA ALA 2 HA ALA 2 15.475 7.598 12.865
8 HB1 ALA 2 3HB ALA 2 14.933 7.244 15.041
9 HB2 ALA 2 1HB ALA 2 13.676 8.418 14.647
10 HB3 ALA 2 2HB ALA 2 13.301 6.694 14.662
11 H ALA 3 H ALA 3 12.248 6.163 12.440
12 HA ALA 3 HA ALA 3 13.194 3.480 12.368
13 HB1 ALA 3 3HB ALA 3 10.850 4.235 12.930
14 HB2 ALA 3 1HB ALA 3 10.604 4.466 11.199
15 HB3 ALA 3 2HB ALA 3 10.976 2.862 11.831
16 H GLU 4 H GLU 4 13.173 6.013 10.085
17 HA GLU 4 HA GLU 4 13.177 4.282 7.761
18 HB2 GLU 4 1HB GLU 4 13.723 7.249 7.966
19 HB3 GLU 4 2HB GLU 4 13.468 6.346 6.480
20 HG2 GLU 4 1HG GLU 4 11.297 5.992 8.369
21 HG3 GLU 4 2HG GLU 4 11.552 7.682 7.939
22 H ALA 5 H ALA 5 15.453 5.680 9.929
23 HA ALA 5 HA ALA 5 17.699 5.393 8.112
24 HB1 ALA 5 3HB ALA 5 17.736 6.093 11.043
25 HB2 ALA 5 1HB ALA 5 19.040 6.312 9.876
26 HB3 ALA 5 2HB ALA 5 17.563 7.266 9.738
27 H TYR 6 H TYR 6 16.297 3.743 10.880
28 HA TYR 6 HA TYR 6 18.482 1.862 11.081
29 HD1 TYR 6 HD1 TYR 6 18.577 -0.248 12.976
30 HD2 TYR 6 HD2 TYR 6 14.418 0.628 12.771
31 HE1 TYR 6 HE1 TYR 6 18.063 -2.578 13.571
32 HE2 TYR 6 HE2 TYR 6 13.893 -1.700 13.367
33 HH TYR 6 HH TYR 6 16.010 -4.171 13.166
34 HB2 TYR 6 1HB TYR 6 17.581 2.154 13.173
35 HB3 TYR 6 2HB TYR 6 15.945 2.364 12.559
36 H ALA 7 H ALA 7 14.984 1.295 10.707
37 HA ALA 7 HA ALA 7 15.064 -1.270 9.768
38 HB1 ALA 7 3HB ALA 7 13.114 0.634 8.546
39 HB2 ALA 7 1HB ALA 7 12.865 -1.015 9.121
40 HB3 ALA 7 2HB ALA 7 13.055 0.303 10.277
41 H LYS 8 H LYS 8 16.113 1.563 8.146
42 HA LYS 8 HA LYS 8 15.786 1.042 5.480
43 HB2 LYS 8 1HB LYS 8 17.452 2.709 7.056
44 HB3 LYS 8 2HB LYS 8 18.485 1.921 5.870
45 HG2 LYS 8 1HG LYS 8 15.966 3.018 4.820
46 HG3 LYS 8 2HG LYS 8 17.129 4.203 5.421
47 HD2 LYS 8 1HD LYS 8 18.305 2.098 3.755
48 HD3 LYS 8 2HD LYS 8 17.140 3.123 2.913
49 HE2 LYS 8 1HE LYS 8 19.477 4.141 4.524
50 HE3 LYS 8 2HE LYS 8 19.478 3.945 2.772
51 HZ1 LYS 8 3HZ LYS 8 17.329 5.527 3.967
52 HZ2 LYS 8 1HZ LYS 8 18.109 5.716 2.478
53 HZ3 LYS 8 2HZ LYS 8 18.870 6.222 3.902
54 H ARG 9 H ARG 9 18.872 0.282 7.086
55 HA ARG 9 HA ARG 9 19.805 -1.467 5.145
56 HE ARG 9 HE ARG 9 22.881 0.142 8.643
57 HB2 ARG 9 1HB ARG 9 21.019 -2.459 7.340
58 HB3 ARG 9 2HB ARG 9 21.521 -0.976 6.539
59 HG2 ARG 9 1HG ARG 9 19.431 -0.708 8.606
60 HG3 ARG 9 2HG ARG 9 21.048 -1.144 9.163
61 HD2 ARG 9 1HD ARG 9 20.604 1.138 7.266
62 HD3 ARG 9 2HD ARG 9 20.442 1.349 9.009
63 HH11 ARG 9 2HH1 ARG 9 21.347 3.079 7.574
64 HH12 ARG 9 1HH1 ARG 9 22.829 3.969 7.467
65 HH21 ARG 9 2HH2 ARG 9 24.840 1.303 8.506
66 HH22 ARG 9 1HH2 ARG 9 24.816 2.958 7.997
67 H ILE 10 H ILE 10 18.374 -2.365 8.290
68 HA ILE 10 HA ILE 10 18.274 -5.037 8.180
69 HB ILE 10 HB ILE 10 15.689 -3.675 8.819
70 HG12 ILE 10 1HG1 ILE 10 17.196 -2.099 9.747
71 HG13 ILE 10 2HG1 ILE 10 16.732 -3.144 11.085
72 HG21 ILE 10 1HG2 ILE 10 17.283 -5.936 9.999
73 HG22 ILE 10 2HG2 ILE 10 15.869 -5.241 10.789
74 HG23 ILE 10 3HG2 ILE 10 15.708 -6.010 9.210
75 HD11 ILE 10 3HD1 ILE 10 18.968 -4.381 10.085
76 HD12 ILE 10 1HD1 ILE 10 19.340 -2.666 9.908
77 HD13 ILE 10 2HD1 ILE 10 18.908 -3.317 11.490
78 H ALA 11 H ALA 11 15.438 -3.232 7.000
79 HA ALA 11 HA ALA 11 14.046 -5.118 5.719
80 HB1 ALA 11 3HB ALA 11 14.563 -2.273 5.044
81 HB2 ALA 11 1HB ALA 11 13.710 -3.265 3.861
82 HB3 ALA 11 2HB ALA 11 13.058 -3.077 5.489
83 H GLU 12 H GLU 12 16.894 -3.510 4.329
84 HA GLU 12 HA GLU 12 16.858 -4.846 1.856
85 HB2 GLU 12 1HB GLU 12 18.715 -3.147 3.344
86 HB3 GLU 12 2HB GLU 12 19.528 -4.336 2.336
87 HG2 GLU 12 1HG GLU 12 17.780 -3.452 0.549
88 HG3 GLU 12 2HG GLU 12 17.856 -2.017 1.568
89 H ALA 13 H ALA 13 19.059 -5.434 4.604
90 HA ALA 13 HA ALA 13 20.152 -7.810 3.681
91 HB1 ALA 13 3HB ALA 13 19.665 -7.338 6.600
92 HB2 ALA 13 1HB ALA 13 21.041 -8.110 5.813
93 HB3 ALA 13 2HB ALA 13 20.824 -6.364 5.696
94 H MET 14 H MET 14 16.981 -7.214 4.719
95 HA MET 14 HA MET 14 16.490 -10.020 5.395
96 HB2 MET 14 1HB MET 14 14.824 -7.523 5.684
97 HB3 MET 14 2HB MET 14 14.167 -9.133 5.948
98 HG2 MET 14 1HG MET 14 16.552 -8.946 7.445
99 HG3 MET 14 2HG MET 14 15.626 -7.476 7.738
100 HE1 MET 14 3HE MET 14 14.079 -7.180 9.267
101 HE2 MET 14 1HE MET 14 13.190 -8.357 10.235
102 HE3 MET 14 2HE MET 14 14.918 -8.123 10.500
103 H ALA 15 H ALA 15 17.057 -9.004 2.653
104 HA ALA 15 HA ALA 15 14.566 -9.917 1.365
105 HB1 ALA 15 3HB ALA 15 14.543 -8.101 0.094
106 HB2 ALA 15 1HB ALA 15 15.921 -7.475 1.000
107 HB3 ALA 15 2HB ALA 15 16.185 -8.429 -0.460
108 H LYS 16 H LYS 16 18.094 -9.686 0.931
109 HA LYS 16 HA LYS 16 18.446 -11.368 -1.203
110 HB2 LYS 16 1HB LYS 16 20.093 -10.608 1.138
111 HB3 LYS 16 2HB LYS 16 20.603 -12.051 0.271
112 HG2 LYS 16 1HG LYS 16 20.702 -10.763 -1.807
113 HG3 LYS 16 2HG LYS 16 20.205 -9.316 -0.927
114 HD2 LYS 16 1HD LYS 16 22.271 -9.918 0.583
115 HD3 LYS 16 2HD LYS 16 22.797 -10.791 -0.858
116 HE2 LYS 16 1HE LYS 16 23.749 -8.645 -1.039
117 HE3 LYS 16 2HE LYS 16 22.370 -8.642 -2.137
118 HZ1 LYS 16 3HZ LYS 16 21.743 -7.770 0.536
119 HZ2 LYS 16 1HZ LYS 16 21.339 -7.074 -0.952
120 HZ3 LYS 16 2HZ LYS 16 22.852 -6.772 -0.260
121 H GLY 17 H GLY 17 18.430 -13.526 -1.579
122 HA2 GLY 17 1HA GLY 17 18.618 -15.516 0.424
123 HA3 GLY 17 2HA GLY 17 16.928 -15.235 0.031
Start of MODEL 7
1 HA SER 1 HA SER 1 12.301 10.090 11.410
2 HG SER 1 HG SER 1 9.604 8.412 12.306
3 H1 SER 1 1H SER 1 12.896 8.998 8.758
4 HB2 SER 1 1HB SER 1 10.190 9.161 10.397
5 HB3 SER 1 2HB SER 1 10.972 7.580 10.369
6 H ALA 2 H ALA 2 12.891 8.609 13.165
7 HA ALA 2 HA ALA 2 15.471 7.601 12.898
8 HB1 ALA 2 3HB ALA 2 13.777 6.409 15.008
9 HB2 ALA 2 1HB ALA 2 15.368 7.163 15.117
10 HB3 ALA 2 2HB ALA 2 13.921 8.166 15.001
11 H ALA 3 H ALA 3 12.414 5.781 13.150
12 HA ALA 3 HA ALA 3 13.569 3.239 12.757
13 HB1 ALA 3 3HB ALA 3 11.496 2.497 13.120
14 HB2 ALA 3 1HB ALA 3 11.066 4.185 13.398
15 HB3 ALA 3 2HB ALA 3 10.828 3.464 11.805
16 H GLU 4 H GLU 4 12.944 5.793 10.588
17 HA GLU 4 HA GLU 4 12.735 4.106 8.240
18 HB2 GLU 4 1HB GLU 4 12.855 7.097 8.616
19 HB3 GLU 4 2HB GLU 4 12.810 6.334 7.033
20 HG2 GLU 4 1HG GLU 4 10.715 5.437 8.871
21 HG3 GLU 4 2HG GLU 4 10.635 7.143 8.438
22 H ALA 5 H ALA 5 15.186 5.691 10.059
23 HA ALA 5 HA ALA 5 17.125 5.671 7.901
24 HB1 ALA 5 3HB ALA 5 16.974 7.420 9.765
25 HB2 ALA 5 1HB ALA 5 17.746 6.208 10.787
26 HB3 ALA 5 2HB ALA 5 18.572 6.803 9.346
27 H TYR 6 H TYR 6 16.407 3.849 10.832
28 HA TYR 6 HA TYR 6 18.747 2.192 10.610
29 HD1 TYR 6 HD1 TYR 6 19.329 0.053 12.437
30 HD2 TYR 6 HD2 TYR 6 15.099 0.438 12.689
31 HE1 TYR 6 HE1 TYR 6 19.149 -2.339 12.977
32 HE2 TYR 6 HE2 TYR 6 14.908 -1.954 13.231
33 HH TYR 6 HH TYR 6 17.713 -3.920 13.884
34 HB2 TYR 6 1HB TYR 6 18.115 2.306 12.815
35 HB3 TYR 6 2HB TYR 6 16.398 2.354 12.434
36 H ALA 7 H ALA 7 15.312 1.249 10.673
37 HA ALA 7 HA ALA 7 15.525 -1.256 9.613
38 HB1 ALA 7 3HB ALA 7 13.205 -1.011 8.840
39 HB2 ALA 7 1HB ALA 7 13.435 -0.380 10.470
40 HB3 ALA 7 2HB ALA 7 13.314 0.729 9.104
41 H LYS 8 H LYS 8 16.054 1.724 7.995
42 HA LYS 8 HA LYS 8 15.449 1.282 5.376
43 HB2 LYS 8 1HB LYS 8 16.865 3.175 6.679
44 HB3 LYS 8 2HB LYS 8 18.172 2.348 5.842
45 HG2 LYS 8 1HG LYS 8 16.047 2.766 3.999
46 HG3 LYS 8 2HG LYS 8 16.383 4.286 4.831
47 HD2 LYS 8 1HD LYS 8 18.898 3.445 4.319
48 HD3 LYS 8 2HD LYS 8 18.044 2.746 2.941
49 HE2 LYS 8 1HE LYS 8 18.860 4.943 2.360
50 HE3 LYS 8 2HE LYS 8 17.100 4.971 2.441
51 HZ1 LYS 8 3HZ LYS 8 17.181 6.046 4.540
52 HZ2 LYS 8 1HZ LYS 8 18.223 6.896 3.513
53 HZ3 LYS 8 2HZ LYS 8 18.855 5.836 4.670
54 H ARG 9 H ARG 9 18.746 0.659 6.578
55 HA ARG 9 HA ARG 9 19.547 -0.918 4.431
56 HE ARG 9 HE ARG 9 22.663 1.853 6.551
57 HB2 ARG 9 1HB ARG 9 21.106 -1.906 6.392
58 HB3 ARG 9 2HB ARG 9 21.386 -0.347 5.628
59 HG2 ARG 9 1HG ARG 9 19.568 -0.360 7.953
60 HG3 ARG 9 2HG ARG 9 21.271 -0.691 8.275
61 HD2 ARG 9 1HD ARG 9 20.398 1.648 6.607
62 HD3 ARG 9 2HD ARG 9 20.487 1.745 8.365
63 HH11 ARG 9 2HH1 ARG 9 21.746 0.654 9.688
64 HH12 ARG 9 1HH1 ARG 9 23.358 0.701 10.321
65 HH21 ARG 9 2HH2 ARG 9 24.789 1.920 7.373
66 HH22 ARG 9 1HH2 ARG 9 25.088 1.422 9.004
67 H ILE 10 H ILE 10 18.661 -2.076 7.690
68 HA ILE 10 HA ILE 10 18.712 -4.733 7.443
69 HB ILE 10 HB ILE 10 16.154 -3.600 8.501
70 HG12 ILE 10 1HG1 ILE 10 17.681 -1.963 9.296
71 HG13 ILE 10 2HG1 ILE 10 17.452 -3.089 10.629
72 HG21 ILE 10 1HG2 ILE 10 16.383 -5.942 8.752
73 HG22 ILE 10 2HG2 ILE 10 18.044 -5.790 9.322
74 HG23 ILE 10 3HG2 ILE 10 16.710 -5.240 10.336
75 HD11 ILE 10 3HD1 ILE 10 19.818 -2.288 10.122
76 HD12 ILE 10 1HD1 ILE 10 19.568 -4.018 10.359
77 HD13 ILE 10 2HD1 ILE 10 19.747 -3.368 8.729
78 H ALA 11 H ALA 11 15.622 -3.095 6.759
79 HA ALA 11 HA ALA 11 14.191 -5.012 5.580
80 HB1 ALA 11 3HB ALA 11 13.547 -3.080 3.852
81 HB2 ALA 11 1HB ALA 11 13.026 -3.070 5.537
82 HB3 ALA 11 2HB ALA 11 14.422 -2.113 5.040
83 H GLU 12 H GLU 12 16.707 -3.155 3.889
84 HA GLU 12 HA GLU 12 16.419 -4.412 1.391
85 HB2 GLU 12 1HB GLU 12 18.343 -2.625 2.679
86 HB3 GLU 12 2HB GLU 12 19.087 -3.716 1.519
87 HG2 GLU 12 1HG GLU 12 17.048 -2.912 0.028
88 HG3 GLU 12 2HG GLU 12 17.163 -1.508 1.087
89 H ALA 13 H ALA 13 19.024 -4.914 3.780
90 HA ALA 13 HA ALA 13 20.209 -7.122 2.655
91 HB1 ALA 13 3HB ALA 13 21.499 -6.747 4.423
92 HB2 ALA 13 1HB ALA 13 20.218 -5.841 5.229
93 HB3 ALA 13 2HB ALA 13 20.308 -7.594 5.410
94 H MET 14 H MET 14 17.219 -6.944 4.447
95 HA MET 14 HA MET 14 16.996 -9.815 4.728
96 HB2 MET 14 1HB MET 14 15.062 -7.573 5.330
97 HB3 MET 14 2HB MET 14 14.736 -9.270 5.652
98 HG2 MET 14 1HG MET 14 16.763 -9.298 7.110
99 HG3 MET 14 2HG MET 14 16.863 -7.551 6.897
100 HE1 MET 14 3HE MET 14 14.965 -10.516 8.658
101 HE2 MET 14 1HE MET 14 13.413 -9.757 9.016
102 HE3 MET 14 2HE MET 14 13.890 -10.041 7.342
103 H ALA 15 H ALA 15 17.099 -8.370 2.051
104 HA ALA 15 HA ALA 15 14.654 -9.573 0.926
105 HB1 ALA 15 3HB ALA 15 16.106 -7.099 0.000
106 HB2 ALA 15 1HB ALA 15 14.782 -7.873 -0.871
107 HB3 ALA 15 2HB ALA 15 14.500 -7.179 0.726
108 H LYS 16 H LYS 16 18.098 -9.023 0.587
109 HA LYS 16 HA LYS 16 18.662 -9.975 -1.907
110 HB2 LYS 16 1HB LYS 16 20.840 -10.474 -1.147
111 HB3 LYS 16 2HB LYS 16 20.281 -9.164 -0.115
112 HG2 LYS 16 1HG LYS 16 19.558 -11.070 1.486
113 HG3 LYS 16 2HG LYS 16 20.682 -12.050 0.542
114 HD2 LYS 16 1HD LYS 16 22.393 -10.213 0.974
115 HD3 LYS 16 2HD LYS 16 21.262 -9.594 2.180
116 HE2 LYS 16 1HE LYS 16 21.746 -12.462 2.409
117 HE3 LYS 16 2HE LYS 16 23.204 -11.493 2.611
118 HZ1 LYS 16 3HZ LYS 16 22.189 -11.773 4.731
119 HZ2 LYS 16 1HZ LYS 16 20.681 -11.266 4.156
120 HZ3 LYS 16 2HZ LYS 16 21.957 -10.162 4.271
121 H GLY 17 H GLY 17 17.807 -11.852 0.950
122 HA2 GLY 17 1HA GLY 17 16.699 -13.935 0.864
123 HA3 GLY 17 2HA GLY 17 17.261 -14.140 -0.788
Start of MODEL 8
1 HA SER 1 HA SER 1 12.748 10.458 10.732
2 HG SER 1 HG SER 1 10.856 10.106 11.319
3 H1 SER 1 1H SER 1 12.877 9.998 7.994
4 HB2 SER 1 1HB SER 1 11.251 8.991 8.794
5 HB3 SER 1 2HB SER 1 11.499 7.952 10.197
6 H ALA 2 H ALA 2 13.182 9.165 12.546
7 HA ALA 2 HA ALA 2 15.653 7.920 12.640
8 HB1 ALA 2 3HB ALA 2 15.264 7.686 14.846
9 HB2 ALA 2 1HB ALA 2 13.861 8.697 14.500
10 HB3 ALA 2 2HB ALA 2 13.683 6.945 14.598
11 H ALA 3 H ALA 3 12.458 6.331 12.676
12 HA ALA 3 HA ALA 3 13.469 3.703 12.497
13 HB1 ALA 3 3HB ALA 3 11.138 3.112 11.823
14 HB2 ALA 3 1HB ALA 3 11.252 4.047 13.314
15 HB3 ALA 3 2HB ALA 3 10.762 4.835 11.813
16 H GLU 4 H GLU 4 13.175 6.179 10.172
17 HA GLU 4 HA GLU 4 13.004 4.415 7.887
18 HB2 GLU 4 1HB GLU 4 13.358 7.393 8.185
19 HB3 GLU 4 2HB GLU 4 13.432 6.591 6.622
20 HG2 GLU 4 1HG GLU 4 11.122 5.606 7.366
21 HG3 GLU 4 2HG GLU 4 11.109 7.011 8.430
22 H ALA 5 H ALA 5 15.461 5.833 9.832
23 HA ALA 5 HA ALA 5 17.539 5.482 7.830
24 HB1 ALA 5 3HB ALA 5 17.448 7.400 9.502
25 HB2 ALA 5 1HB ALA 5 17.968 6.224 10.709
26 HB3 ALA 5 2HB ALA 5 18.994 6.572 9.317
27 H TYR 6 H TYR 6 16.333 3.918 10.723
28 HA TYR 6 HA TYR 6 18.546 2.075 10.890
29 HD1 TYR 6 HD2 TYR 6 18.738 0.052 12.957
30 HD2 TYR 6 HD1 TYR 6 14.558 0.765 12.601
31 HE1 TYR 6 HE2 TYR 6 18.290 -2.274 13.621
32 HE2 TYR 6 HE1 TYR 6 14.099 -1.558 13.265
33 HH TYR 6 HH TYR 6 16.268 -3.512 14.734
34 HB2 TYR 6 1HB TYR 6 17.698 2.401 13.000
35 HB3 TYR 6 2HB TYR 6 16.042 2.562 12.428
36 H ALA 7 H ALA 7 15.051 1.433 10.630
37 HA ALA 7 HA ALA 7 15.145 -1.150 9.755
38 HB1 ALA 7 3HB ALA 7 13.048 -0.166 10.300
39 HB2 ALA 7 1HB ALA 7 13.197 1.020 9.003
40 HB3 ALA 7 2HB ALA 7 12.959 -0.685 8.617
41 H LYS 8 H LYS 8 16.109 1.654 8.027
42 HA LYS 8 HA LYS 8 15.743 1.080 5.388
43 HB2 LYS 8 1HB LYS 8 17.221 2.911 6.756
44 HB3 LYS 8 2HB LYS 8 18.492 1.938 6.028
45 HG2 LYS 8 1HG LYS 8 16.907 2.293 3.889
46 HG3 LYS 8 2HG LYS 8 16.560 3.777 4.780
47 HD2 LYS 8 1HD LYS 8 18.475 4.648 4.064
48 HD3 LYS 8 2HD LYS 8 19.363 3.349 4.864
49 HE2 LYS 8 1HE LYS 8 18.104 2.616 2.311
50 HE3 LYS 8 2HE LYS 8 19.388 3.818 2.190
51 HZ1 LYS 8 3HZ LYS 8 19.568 1.013 2.732
52 HZ2 LYS 8 1HZ LYS 8 20.409 1.938 3.871
53 HZ3 LYS 8 2HZ LYS 8 20.768 2.092 2.226
54 H ARG 9 H ARG 9 18.827 0.272 6.982
55 HA ARG 9 HA ARG 9 19.702 -1.515 5.037
56 HE ARG 9 HE ARG 9 22.656 0.288 9.142
57 HB2 ARG 9 1HB ARG 9 20.953 -2.487 7.214
58 HB3 ARG 9 2HB ARG 9 21.450 -1.015 6.391
59 HG2 ARG 9 1HG ARG 9 19.406 -0.712 8.499
60 HG3 ARG 9 2HG ARG 9 21.030 -1.160 9.025
61 HD2 ARG 9 1HD ARG 9 21.118 0.935 7.042
62 HD3 ARG 9 2HD ARG 9 20.097 1.395 8.404
63 HH11 ARG 9 2HH1 ARG 9 20.869 3.171 8.359
64 HH12 ARG 9 1HH1 ARG 9 21.964 4.231 9.184
65 HH21 ARG 9 2HH2 ARG 9 24.105 1.673 10.231
66 HH22 ARG 9 1HH2 ARG 9 23.805 3.377 10.247
67 H ILE 10 H ILE 10 18.378 -2.360 8.243
68 HA ILE 10 HA ILE 10 18.216 -5.023 8.169
69 HB ILE 10 HB ILE 10 15.673 -3.608 8.865
70 HG12 ILE 10 1HG1 ILE 10 17.251 -2.052 9.721
71 HG13 ILE 10 2HG1 ILE 10 16.781 -3.056 11.088
72 HG21 ILE 10 1HG2 ILE 10 17.259 -5.886 10.021
73 HG22 ILE 10 2HG2 ILE 10 15.887 -5.153 10.850
74 HG23 ILE 10 3HG2 ILE 10 15.657 -5.935 9.287
75 HD11 ILE 10 3HD1 ILE 10 19.228 -3.659 9.474
76 HD12 ILE 10 1HD1 ILE 10 19.251 -2.497 10.800
77 HD13 ILE 10 2HD1 ILE 10 18.821 -4.180 11.109
78 H ALA 11 H ALA 11 15.375 -3.187 7.046
79 HA ALA 11 HA ALA 11 13.906 -5.057 5.838
80 HB1 ALA 11 3HB ALA 11 14.459 -2.235 5.144
81 HB2 ALA 11 1HB ALA 11 13.630 -3.209 3.929
82 HB3 ALA 11 2HB ALA 11 12.936 -3.031 5.541
83 H GLU 12 H GLU 12 16.744 -3.545 4.320
84 HA GLU 12 HA GLU 12 16.609 -4.953 1.892
85 HB2 GLU 12 1HB GLU 12 18.541 -3.245 3.270
86 HB3 GLU 12 2HB GLU 12 19.301 -4.479 2.274
87 HG2 GLU 12 1HG GLU 12 17.515 -3.617 0.515
88 HG3 GLU 12 2HG GLU 12 17.647 -2.153 1.488
89 H ALA 13 H ALA 13 18.890 -5.499 4.583
90 HA ALA 13 HA ALA 13 20.009 -7.854 3.760
91 HB1 ALA 13 3HB ALA 13 20.156 -8.379 6.281
92 HB2 ALA 13 1HB ALA 13 20.944 -6.924 5.671
93 HB3 ALA 13 2HB ALA 13 19.389 -6.805 6.495
94 H MET 14 H MET 14 16.799 -7.345 4.991
95 HA MET 14 HA MET 14 16.326 -10.217 5.247
96 HB2 MET 14 1HB MET 14 14.481 -7.891 5.820
97 HB3 MET 14 2HB MET 14 14.157 -9.580 6.189
98 HG2 MET 14 1HG MET 14 16.579 -9.113 7.414
99 HG3 MET 14 2HG MET 14 15.692 -7.610 7.662
100 HE1 MET 14 3HE MET 14 14.285 -11.321 7.378
101 HE2 MET 14 1HE MET 14 15.821 -11.443 8.235
102 HE3 MET 14 2HE MET 14 14.310 -11.774 9.083
103 H ALA 15 H ALA 15 16.816 -8.993 2.642
104 HA ALA 15 HA ALA 15 14.275 -9.729 1.351
105 HB1 ALA 15 3HB ALA 15 16.107 -7.508 0.452
106 HB2 ALA 15 1HB ALA 15 14.612 -8.016 -0.334
107 HB3 ALA 15 2HB ALA 15 14.561 -7.291 1.273
108 H LYS 16 H LYS 16 17.779 -9.344 0.937
109 HA LYS 16 HA LYS 16 18.083 -10.641 -1.497
110 HB2 LYS 16 1HB LYS 16 19.790 -9.843 0.703
111 HB3 LYS 16 2HB LYS 16 20.319 -11.375 0.021
112 HG2 LYS 16 1HG LYS 16 21.058 -10.421 -1.862
113 HG3 LYS 16 2HG LYS 16 19.670 -9.337 -1.976
114 HD2 LYS 16 1HD LYS 16 21.198 -7.750 -1.491
115 HD3 LYS 16 2HD LYS 16 20.939 -8.290 0.170
116 HE2 LYS 16 1HE LYS 16 22.992 -9.179 0.320
117 HE3 LYS 16 2HE LYS 16 22.907 -9.878 -1.296
118 HZ1 LYS 16 3HZ LYS 16 23.501 -7.031 -0.692
119 HZ2 LYS 16 1HZ LYS 16 23.461 -7.732 -2.231
120 HZ3 LYS 16 2HZ LYS 16 24.647 -8.200 -1.119
121 H GLY 17 H GLY 17 18.321 -12.055 1.772
122 HA2 GLY 17 1HA GLY 17 16.945 -14.402 1.191
123 HA3 GLY 17 2HA GLY 17 18.642 -14.719 0.861
Start of MODEL 9
1 HA SER 1 HA SER 1 12.972 10.304 11.734
2 HG SER 1 HG SER 1 11.140 10.023 12.611
3 H1 SER 1 1H SER 1 13.308 9.369 8.959
4 HB2 SER 1 1HB SER 1 10.935 9.386 10.233
5 HB3 SER 1 2HB SER 1 11.532 7.854 10.872
6 H ALA 2 H ALA 2 13.329 8.621 13.383
7 HA ALA 2 HA ALA 2 15.828 7.381 13.073
8 HB1 ALA 2 3HB ALA 2 15.333 6.301 15.244
9 HB2 ALA 2 1HB ALA 2 15.036 8.040 15.250
10 HB3 ALA 2 2HB ALA 2 13.682 6.914 15.138
11 H ALA 3 H ALA 3 12.551 6.001 13.102
12 HA ALA 3 HA ALA 3 13.388 3.323 12.697
13 HB1 ALA 3 3HB ALA 3 11.101 4.315 13.515
14 HB2 ALA 3 1HB ALA 3 10.702 4.247 11.798
15 HB3 ALA 3 2HB ALA 3 11.161 2.776 12.657
16 H GLU 4 H GLU 4 13.295 5.992 10.626
17 HA GLU 4 HA GLU 4 12.947 4.395 8.210
18 HB2 GLU 4 1HB GLU 4 13.309 7.363 8.639
19 HB3 GLU 4 2HB GLU 4 13.177 6.614 7.054
20 HG2 GLU 4 1HG GLU 4 11.032 5.942 8.948
21 HG3 GLU 4 2HG GLU 4 11.099 7.628 8.436
22 H ALA 5 H ALA 5 15.436 5.745 10.161
23 HA ALA 5 HA ALA 5 17.444 5.603 8.063
24 HB1 ALA 5 3HB ALA 5 17.397 7.411 9.820
25 HB2 ALA 5 1HB ALA 5 17.908 6.183 10.979
26 HB3 ALA 5 2HB ALA 5 18.943 6.589 9.609
27 H TYR 6 H TYR 6 16.427 3.824 10.912
28 HA TYR 6 HA TYR 6 18.688 2.047 10.876
29 HD1 TYR 6 HD2 TYR 6 19.002 -0.113 12.784
30 HD2 TYR 6 HD1 TYR 6 14.791 0.456 12.557
31 HE1 TYR 6 HE2 TYR 6 18.659 -2.497 13.282
32 HE2 TYR 6 HE1 TYR 6 14.436 -1.926 13.055
33 HH TYR 6 HH TYR 6 17.085 -4.194 13.165
34 HB2 TYR 6 1HB TYR 6 17.873 2.183 13.019
35 HB3 TYR 6 2HB TYR 6 16.200 2.319 12.491
36 H ALA 7 H ALA 7 15.215 1.289 10.633
37 HA ALA 7 HA ALA 7 15.386 -1.217 9.567
38 HB1 ALA 7 3HB ALA 7 13.251 -0.481 10.172
39 HB2 ALA 7 1HB ALA 7 13.352 0.947 9.142
40 HB3 ALA 7 2HB ALA 7 13.170 -0.651 8.419
41 H LYS 8 H LYS 8 16.210 1.741 8.033
42 HA LYS 8 HA LYS 8 15.814 1.348 5.367
43 HB2 LYS 8 1HB LYS 8 16.948 3.312 6.472
44 HB3 LYS 8 2HB LYS 8 18.422 2.354 6.510
45 HG2 LYS 8 1HG LYS 8 18.572 3.762 4.621
46 HG3 LYS 8 2HG LYS 8 18.225 2.142 4.014
47 HD2 LYS 8 1HD LYS 8 15.720 3.061 4.279
48 HD3 LYS 8 2HD LYS 8 16.557 4.586 3.983
49 HE2 LYS 8 1HE LYS 8 17.605 3.499 1.974
50 HE3 LYS 8 2HE LYS 8 16.519 2.134 2.232
51 HZ1 LYS 8 3HZ LYS 8 15.208 3.306 0.852
52 HZ2 LYS 8 1HZ LYS 8 15.949 4.787 1.200
53 HZ3 LYS 8 2HZ LYS 8 14.790 4.153 2.256
54 H ARG 9 H ARG 9 18.955 0.539 6.845
55 HA ARG 9 HA ARG 9 19.854 -1.067 4.757
56 HE ARG 9 HE ARG 9 22.859 0.543 8.866
57 HB2 ARG 9 1HB ARG 9 21.183 -2.149 6.834
58 HB3 ARG 9 2HB ARG 9 21.610 -0.603 6.113
59 HG2 ARG 9 1HG ARG 9 19.600 -0.532 8.274
60 HG3 ARG 9 2HG ARG 9 21.250 -0.955 8.737
61 HD2 ARG 9 1HD ARG 9 21.203 1.285 6.910
62 HD3 ARG 9 2HD ARG 9 20.219 1.600 8.339
63 HH11 ARG 9 2HH1 ARG 9 20.876 3.380 8.496
64 HH12 ARG 9 1HH1 ARG 9 21.948 4.406 9.391
65 HH21 ARG 9 2HH2 ARG 9 24.278 1.883 10.047
66 HH22 ARG 9 1HH2 ARG 9 23.883 3.553 10.273
67 H ILE 10 H ILE 10 18.626 -2.192 7.916
68 HA ILE 10 HA ILE 10 18.557 -4.847 7.648
69 HB ILE 10 HB ILE 10 15.982 -3.582 8.493
70 HG12 ILE 10 1HG1 ILE 10 17.521 -2.035 9.432
71 HG13 ILE 10 2HG1 ILE 10 17.116 -3.153 10.730
72 HG21 ILE 10 1HG2 ILE 10 16.289 -5.260 10.354
73 HG22 ILE 10 2HG2 ILE 10 16.058 -5.933 8.741
74 HG23 ILE 10 3HG2 ILE 10 17.672 -5.878 9.450
75 HD11 ILE 10 3HD1 ILE 10 19.548 -3.547 9.031
76 HD12 ILE 10 1HD1 ILE 10 19.558 -2.483 10.437
77 HD13 ILE 10 2HD1 ILE 10 19.195 -4.198 10.631
78 H ALA 11 H ALA 11 15.631 -3.040 6.716
79 HA ALA 11 HA ALA 11 14.205 -4.869 5.400
80 HB1 ALA 11 3HB ALA 11 13.821 -2.896 3.641
81 HB2 ALA 11 1HB ALA 11 13.155 -2.867 5.274
82 HB3 ALA 11 2HB ALA 11 14.639 -1.985 4.910
83 H GLU 12 H GLU 12 16.956 -3.147 3.951
84 HA GLU 12 HA GLU 12 16.818 -4.376 1.426
85 HB2 GLU 12 1HB GLU 12 18.717 -2.701 2.890
86 HB3 GLU 12 2HB GLU 12 19.498 -3.827 1.789
87 HG2 GLU 12 1HG GLU 12 17.643 -2.906 0.135
88 HG3 GLU 12 2HG GLU 12 17.741 -1.515 1.213
89 H ALA 13 H ALA 13 19.177 -5.028 4.024
90 HA ALA 13 HA ALA 13 20.285 -7.325 2.956
91 HB1 ALA 13 3HB ALA 13 20.675 -7.911 5.461
92 HB2 ALA 13 1HB ALA 13 21.443 -6.483 4.765
93 HB3 ALA 13 2HB ALA 13 19.990 -6.312 5.751
94 H MET 14 H MET 14 17.172 -6.876 4.333
95 HA MET 14 HA MET 14 16.772 -9.735 4.765
96 HB2 MET 14 1HB MET 14 15.018 -7.336 5.303
97 HB3 MET 14 2HB MET 14 14.503 -8.996 5.572
98 HG2 MET 14 1HG MET 14 16.946 -8.778 6.887
99 HG3 MET 14 2HG MET 14 16.100 -7.271 7.232
100 HE1 MET 14 3HE MET 14 16.507 -9.734 9.887
101 HE2 MET 14 1HE MET 14 16.602 -8.020 9.481
102 HE3 MET 14 2HE MET 14 15.267 -8.620 10.465
103 H ALA 15 H ALA 15 17.054 -8.278 2.088
104 HA ALA 15 HA ALA 15 14.602 -9.377 0.875
105 HB1 ALA 15 3HB ALA 15 15.073 -7.629 -0.959
106 HB2 ALA 15 1HB ALA 15 14.345 -7.090 0.555
107 HB3 ALA 15 2HB ALA 15 16.067 -6.837 0.264
108 H LYS 16 H LYS 16 18.067 -8.989 0.710
109 HA LYS 16 HA LYS 16 18.795 -9.800 -1.757
110 HB2 LYS 16 1HB LYS 16 20.805 -10.649 -0.845
111 HB3 LYS 16 2HB LYS 16 20.289 -9.377 0.254
112 HG2 LYS 16 1HG LYS 16 19.429 -11.017 1.807
113 HG3 LYS 16 2HG LYS 16 19.825 -12.322 0.686
114 HD2 LYS 16 1HD LYS 16 22.027 -12.269 1.201
115 HD3 LYS 16 2HD LYS 16 22.048 -10.514 1.390
116 HE2 LYS 16 1HE LYS 16 22.248 -10.981 3.578
117 HE3 LYS 16 2HE LYS 16 20.508 -11.251 3.499
118 HZ1 LYS 16 3HZ LYS 16 22.048 -13.047 4.518
119 HZ2 LYS 16 1HZ LYS 16 22.344 -13.470 2.907
120 HZ3 LYS 16 2HZ LYS 16 20.768 -13.518 3.519
121 H GLY 17 H GLY 17 19.129 -11.760 -2.856
122 HA2 GLY 17 1HA GLY 17 18.809 -14.329 -2.105
123 HA3 GLY 17 2HA GLY 17 17.146 -13.779 -2.246
Start of MODEL 10
1 HA SER 1 HA SER 1 12.864 10.590 11.001
2 HG SER 1 HG SER 1 9.971 9.113 11.935
3 H1 SER 1 1H SER 1 13.451 9.345 8.438
4 HB2 SER 1 1HB SER 1 10.673 9.801 9.988
5 HB3 SER 1 2HB SER 1 11.297 8.158 10.131
6 H ALA 2 H ALA 2 13.283 9.118 12.826
7 HA ALA 2 HA ALA 2 15.759 7.863 12.628
8 HB1 ALA 2 3HB ALA 2 14.168 8.610 14.684
9 HB2 ALA 2 1HB ALA 2 14.004 6.855 14.761
10 HB3 ALA 2 2HB ALA 2 15.602 7.598 14.856
11 H ALA 3 H ALA 3 12.503 6.454 12.600
12 HA ALA 3 HA ALA 3 13.382 3.756 12.449
13 HB1 ALA 3 3HB ALA 3 11.070 4.721 13.132
14 HB2 ALA 3 1HB ALA 3 10.725 4.641 11.404
15 HB3 ALA 3 2HB ALA 3 11.151 3.175 12.288
16 H GLU 4 H GLU 4 13.236 6.278 10.165
17 HA GLU 4 HA GLU 4 13.021 4.519 7.864
18 HB2 GLU 4 1HB GLU 4 13.558 7.492 7.976
19 HB3 GLU 4 2HB GLU 4 13.167 6.563 6.536
20 HG2 GLU 4 1HG GLU 4 11.192 6.237 8.637
21 HG3 GLU 4 2HG GLU 4 11.390 7.917 8.143
22 H ALA 5 H ALA 5 15.461 5.963 9.810
23 HA ALA 5 HA ALA 5 17.543 5.669 7.806
24 HB1 ALA 5 3HB ALA 5 17.319 6.918 10.467
25 HB2 ALA 5 1HB ALA 5 18.900 6.251 10.056
26 HB3 ALA 5 2HB ALA 5 18.159 7.469 9.017
27 H TYR 6 H TYR 6 16.336 4.010 10.641
28 HA TYR 6 HA TYR 6 18.579 2.205 10.801
29 HD1 TYR 6 HD2 TYR 6 18.754 0.079 12.682
30 HD2 TYR 6 HD1 TYR 6 14.566 0.804 12.486
31 HE1 TYR 6 HE2 TYR 6 18.326 -2.274 13.256
32 HE2 TYR 6 HE1 TYR 6 14.126 -1.547 13.060
33 HH TYR 6 HH TYR 6 15.280 -3.720 12.933
34 HB2 TYR 6 1HB TYR 6 17.674 2.440 12.897
35 HB3 TYR 6 2HB TYR 6 16.030 2.596 12.290
36 H ALA 7 H ALA 7 15.107 1.495 10.434
37 HA ALA 7 HA ALA 7 15.215 -1.049 9.520
38 HB1 ALA 7 3HB ALA 7 13.180 -0.325 8.038
39 HB2 ALA 7 1HB ALA 7 13.067 -0.293 9.798
40 HB3 ALA 7 2HB ALA 7 13.359 1.200 8.906
41 H LYS 8 H LYS 8 16.272 1.769 7.829
42 HA LYS 8 HA LYS 8 16.127 1.209 5.190
43 HB2 LYS 8 1HB LYS 8 17.443 3.065 6.527
44 HB3 LYS 8 2HB LYS 8 18.812 1.998 6.243
45 HG2 LYS 8 1HG LYS 8 19.021 3.225 4.373
46 HG3 LYS 8 2HG LYS 8 17.798 2.110 3.758
47 HD2 LYS 8 1HD LYS 8 16.242 3.982 4.961
48 HD3 LYS 8 2HD LYS 8 17.598 4.971 4.413
49 HE2 LYS 8 1HE LYS 8 17.214 4.485 2.180
50 HE3 LYS 8 2HE LYS 8 16.321 3.010 2.550
51 HZ1 LYS 8 3HZ LYS 8 14.495 4.216 2.266
52 HZ2 LYS 8 1HZ LYS 8 15.355 5.672 2.226
53 HZ3 LYS 8 2HZ LYS 8 14.866 5.020 3.707
54 H ARG 9 H ARG 9 18.996 0.216 7.065
55 HA ARG 9 HA ARG 9 19.959 -1.575 5.142
56 HE ARG 9 HE ARG 9 21.488 1.413 10.197
57 HB2 ARG 9 1HB ARG 9 21.031 -2.604 7.376
58 HB3 ARG 9 2HB ARG 9 21.621 -1.127 6.624
59 HG2 ARG 9 1HG ARG 9 19.445 -0.818 8.595
60 HG3 ARG 9 2HG ARG 9 21.018 -1.318 9.220
61 HD2 ARG 9 1HD ARG 9 21.535 0.739 7.387
62 HD3 ARG 9 2HD ARG 9 20.144 1.273 8.330
63 HH11 ARG 9 2HH1 ARG 9 23.196 -0.179 7.615
64 HH12 ARG 9 1HH1 ARG 9 24.731 -0.115 8.416
65 HH21 ARG 9 2HH2 ARG 9 23.503 1.504 11.262
66 HH22 ARG 9 1HH2 ARG 9 24.904 0.842 10.490
67 H ILE 10 H ILE 10 18.417 -2.393 8.257
68 HA ILE 10 HA ILE 10 18.145 -5.046 8.128
69 HB ILE 10 HB ILE 10 15.638 -3.529 8.730
70 HG12 ILE 10 1HG1 ILE 10 17.240 -2.060 9.688
71 HG13 ILE 10 2HG1 ILE 10 16.663 -3.065 11.013
72 HG21 ILE 10 1HG2 ILE 10 17.064 -5.897 9.915
73 HG22 ILE 10 2HG2 ILE 10 15.691 -5.114 10.696
74 HG23 ILE 10 3HG2 ILE 10 15.495 -5.859 9.110
75 HD11 ILE 10 3HD1 ILE 10 19.166 -2.611 10.848
76 HD12 ILE 10 1HD1 ILE 10 18.649 -4.276 11.110
77 HD13 ILE 10 2HD1 ILE 10 19.154 -3.751 9.503
78 H ALA 11 H ALA 11 15.446 -3.065 6.907
79 HA ALA 11 HA ALA 11 13.950 -4.842 5.600
80 HB1 ALA 11 3HB ALA 11 13.103 -2.761 5.296
81 HB2 ALA 11 1HB ALA 11 14.680 -2.045 4.964
82 HB3 ALA 11 2HB ALA 11 13.846 -2.964 3.710
83 H GLU 12 H GLU 12 16.927 -3.452 4.238
84 HA GLU 12 HA GLU 12 16.841 -4.821 1.787
85 HB2 GLU 12 1HB GLU 12 18.786 -3.230 3.282
86 HB3 GLU 12 2HB GLU 12 19.532 -4.488 2.306
87 HG2 GLU 12 1HG GLU 12 17.880 -3.517 0.475
88 HG3 GLU 12 2HG GLU 12 18.035 -2.073 1.474
89 H ALA 13 H ALA 13 18.964 -5.515 4.572
90 HA ALA 13 HA ALA 13 19.955 -7.942 3.736
91 HB1 ALA 13 3HB ALA 13 19.618 -6.611 6.336
92 HB2 ALA 13 1HB ALA 13 19.817 -8.363 6.402
93 HB3 ALA 13 2HB ALA 13 21.042 -7.364 5.619
94 H MET 14 H MET 14 16.758 -7.194 4.703
95 HA MET 14 HA MET 14 16.095 -10.011 5.156
96 HB2 MET 14 1HB MET 14 14.457 -7.501 5.548
97 HB3 MET 14 2HB MET 14 13.880 -9.131 5.869
98 HG2 MET 14 1HG MET 14 15.832 -9.343 7.476
99 HG3 MET 14 2HG MET 14 16.022 -7.600 7.303
100 HE1 MET 14 3HE MET 14 15.996 -8.295 9.859
101 HE2 MET 14 1HE MET 14 14.558 -7.952 10.820
102 HE3 MET 14 2HE MET 14 14.852 -9.586 10.227
103 H ALA 15 H ALA 15 16.767 -8.866 2.511
104 HA ALA 15 HA ALA 15 14.299 -9.667 1.127
105 HB1 ALA 15 3HB ALA 15 14.115 -7.474 0.596
106 HB2 ALA 15 1HB ALA 15 15.837 -7.161 0.817
107 HB3 ALA 15 2HB ALA 15 15.263 -7.931 -0.663
108 H LYS 16 H LYS 16 17.802 -9.392 1.098
109 HA LYS 16 HA LYS 16 18.109 -10.837 -1.371
110 HB2 LYS 16 1HB LYS 16 19.795 -9.222 -0.806
111 HB3 LYS 16 2HB LYS 16 20.075 -9.980 0.756
112 HG2 LYS 16 1HG LYS 16 20.850 -12.020 -0.487
113 HG3 LYS 16 2HG LYS 16 20.783 -11.052 -1.962
114 HD2 LYS 16 1HD LYS 16 22.262 -9.384 -0.640
115 HD3 LYS 16 2HD LYS 16 22.587 -10.764 0.412
116 HE2 LYS 16 1HE LYS 16 24.112 -11.487 -1.030
117 HE3 LYS 16 2HE LYS 16 22.859 -11.654 -2.258
118 HZ1 LYS 16 3HZ LYS 16 23.625 -9.889 -3.339
119 HZ2 LYS 16 1HZ LYS 16 24.988 -9.942 -2.337
120 HZ3 LYS 16 2HZ LYS 16 23.683 -8.942 -1.939
121 H GLY 17 H GLY 17 19.035 -11.564 2.004
122 HA2 GLY 17 1HA GLY 17 18.699 -14.426 1.342
123 HA3 GLY 17 2HA GLY 17 19.943 -13.832 2.432
Start of MODEL 11
1 HA SER 1 HA SER 1 12.767 10.336 11.375
2 HG SER 1 HG SER 1 9.345 9.640 11.631
3 H1 SER 1 1H SER 1 11.886 9.005 8.940
4 HB2 SER 1 1HB SER 1 10.882 8.004 10.955
5 HB3 SER 1 2HB SER 1 11.223 8.760 12.511
6 H ALA 2 H ALA 2 13.357 8.794 13.238
7 HA ALA 2 HA ALA 2 15.821 7.631 12.730
8 HB1 ALA 2 3HB ALA 2 15.173 6.341 14.970
9 HB2 ALA 2 1HB ALA 2 15.603 8.051 14.948
10 HB3 ALA 2 2HB ALA 2 13.907 7.569 14.988
11 H ALA 3 H ALA 3 12.669 6.025 13.129
12 HA ALA 3 HA ALA 3 13.616 3.400 12.728
13 HB1 ALA 3 3HB ALA 3 11.397 2.733 12.744
14 HB2 ALA 3 1HB ALA 3 11.355 4.230 13.675
15 HB3 ALA 3 2HB ALA 3 10.837 4.225 11.989
16 H GLU 4 H GLU 4 13.128 5.983 10.555
17 HA GLU 4 HA GLU 4 12.765 4.285 8.228
18 HB2 GLU 4 1HB GLU 4 13.100 7.277 8.494
19 HB3 GLU 4 2HB GLU 4 12.812 6.439 6.975
20 HG2 GLU 4 1HG GLU 4 10.765 5.501 8.482
21 HG3 GLU 4 2HG GLU 4 10.956 7.127 9.135
22 H ALA 5 H ALA 5 15.324 5.782 9.972
23 HA ALA 5 HA ALA 5 17.206 5.616 7.761
24 HB1 ALA 5 3HB ALA 5 18.097 6.213 10.533
25 HB2 ALA 5 1HB ALA 5 18.622 6.908 8.999
26 HB3 ALA 5 2HB ALA 5 17.082 7.396 9.708
27 H TYR 6 H TYR 6 16.285 3.823 10.597
28 HA TYR 6 HA TYR 6 18.641 2.147 10.559
29 HD1 TYR 6 HD2 TYR 6 19.116 0.065 12.486
30 HD2 TYR 6 HD1 TYR 6 14.879 0.454 12.446
31 HE1 TYR 6 HE2 TYR 6 18.898 -2.318 13.057
32 HE2 TYR 6 HE1 TYR 6 14.649 -1.927 13.019
33 HH TYR 6 HH TYR 6 16.053 -3.692 14.151
34 HB2 TYR 6 1HB TYR 6 17.894 2.321 12.727
35 HB3 TYR 6 2HB TYR 6 16.199 2.368 12.255
36 H ALA 7 H ALA 7 15.185 1.282 10.457
37 HA ALA 7 HA ALA 7 15.396 -1.243 9.443
38 HB1 ALA 7 3HB ALA 7 13.210 -0.981 9.777
39 HB2 ALA 7 1HB ALA 7 13.315 0.769 9.582
40 HB3 ALA 7 2HB ALA 7 13.142 -0.269 8.166
41 H LYS 8 H LYS 8 16.077 1.700 7.817
42 HA LYS 8 HA LYS 8 15.595 1.233 5.175
43 HB2 LYS 8 1HB LYS 8 16.917 3.151 6.469
44 HB3 LYS 8 2HB LYS 8 18.306 2.262 5.858
45 HG2 LYS 8 1HG LYS 8 16.965 2.419 3.590
46 HG3 LYS 8 2HG LYS 8 16.252 3.822 4.391
47 HD2 LYS 8 1HD LYS 8 18.964 4.074 4.892
48 HD3 LYS 8 2HD LYS 8 18.894 3.483 3.230
49 HE2 LYS 8 1HE LYS 8 17.152 5.747 4.137
50 HE3 LYS 8 2HE LYS 8 18.825 6.030 3.657
51 HZ1 LYS 8 3HZ LYS 8 17.677 6.337 1.701
52 HZ2 LYS 8 1HZ LYS 8 16.560 5.106 2.018
53 HZ3 LYS 8 2HZ LYS 8 18.142 4.716 1.562
54 H ARG 9 H ARG 9 18.815 0.565 6.547
55 HA ARG 9 HA ARG 9 19.687 -1.064 4.467
56 HE ARG 9 HE ARG 9 19.913 2.393 8.890
57 HB2 ARG 9 1HB ARG 9 21.142 -2.048 6.495
58 HB3 ARG 9 2HB ARG 9 21.468 -0.487 5.753
59 HG2 ARG 9 1HG ARG 9 19.533 -0.452 7.966
60 HG3 ARG 9 2HG ARG 9 21.190 -0.876 8.402
61 HD2 ARG 9 1HD ARG 9 22.015 1.162 7.402
62 HD3 ARG 9 2HD ARG 9 20.400 1.566 6.820
63 HH11 ARG 9 2HH1 ARG 9 22.687 0.305 9.142
64 HH12 ARG 9 1HH1 ARG 9 22.990 0.691 10.803
65 HH21 ARG 9 2HH2 ARG 9 20.301 2.909 11.078
66 HH22 ARG 9 1HH2 ARG 9 21.632 2.171 11.904
67 H ILE 10 H ILE 10 18.610 -2.145 7.695
68 HA ILE 10 HA ILE 10 18.623 -4.808 7.496
69 HB ILE 10 HB ILE 10 16.038 -3.606 8.402
70 HG12 ILE 10 1HG1 ILE 10 17.555 -1.985 9.247
71 HG13 ILE 10 2HG1 ILE 10 17.235 -3.083 10.585
72 HG21 ILE 10 1HG2 ILE 10 16.204 -5.947 8.703
73 HG22 ILE 10 2HG2 ILE 10 17.837 -5.819 9.354
74 HG23 ILE 10 3HG2 ILE 10 16.466 -5.224 10.290
75 HD11 ILE 10 3HD1 ILE 10 19.342 -4.062 10.436
76 HD12 ILE 10 1HD1 ILE 10 19.618 -3.439 8.810
77 HD13 ILE 10 2HD1 ILE 10 19.640 -2.341 10.190
78 H ALA 11 H ALA 11 15.606 -3.122 6.626
79 HA ALA 11 HA ALA 11 14.196 -5.030 5.409
80 HB1 ALA 11 3HB ALA 11 13.070 -3.074 5.256
81 HB2 ALA 11 1HB ALA 11 14.514 -2.148 4.844
82 HB3 ALA 11 2HB ALA 11 13.700 -3.109 3.609
83 H GLU 12 H GLU 12 16.835 -3.259 3.814
84 HA GLU 12 HA GLU 12 16.650 -4.559 1.330
85 HB2 GLU 12 1HB GLU 12 18.544 -2.789 2.683
86 HB3 GLU 12 2HB GLU 12 19.323 -3.919 1.586
87 HG2 GLU 12 1HG GLU 12 17.385 -3.101 -0.027
88 HG3 GLU 12 2HG GLU 12 17.475 -1.679 1.010
89 H ALA 13 H ALA 13 19.117 -5.071 3.859
90 HA ALA 13 HA ALA 13 20.329 -7.310 2.853
91 HB1 ALA 13 3HB ALA 13 21.424 -6.607 4.708
92 HB2 ALA 13 1HB ALA 13 19.937 -6.231 5.579
93 HB3 ALA 13 2HB ALA 13 20.486 -7.902 5.451
94 H MET 14 H MET 14 17.226 -7.082 4.448
95 HA MET 14 HA MET 14 16.940 -9.972 4.597
96 HB2 MET 14 1HB MET 14 15.027 -7.748 5.328
97 HB3 MET 14 2HB MET 14 14.735 -9.460 5.603
98 HG2 MET 14 1HG MET 14 17.136 -9.140 6.817
99 HG3 MET 14 2HG MET 14 16.397 -7.564 7.091
100 HE1 MET 14 3HE MET 14 16.262 -9.985 10.250
101 HE2 MET 14 1HE MET 14 17.376 -9.094 9.213
102 HE3 MET 14 2HE MET 14 16.148 -8.228 10.136
103 H ALA 15 H ALA 15 17.160 -8.518 2.004
104 HA ALA 15 HA ALA 15 14.658 -9.517 0.811
105 HB1 ALA 15 3HB ALA 15 14.276 -7.622 -0.336
106 HB2 ALA 15 1HB ALA 15 15.270 -6.882 0.919
107 HB3 ALA 15 2HB ALA 15 15.990 -7.328 -0.628
108 H LYS 16 H LYS 16 18.114 -9.124 0.597
109 HA LYS 16 HA LYS 16 18.687 -9.870 -1.978
110 HB2 LYS 16 1HB LYS 16 20.830 -10.511 -1.228
111 HB3 LYS 16 2HB LYS 16 20.302 -9.267 -0.103
112 HG2 LYS 16 1HG LYS 16 19.882 -10.830 1.599
113 HG3 LYS 16 2HG LYS 16 19.950 -12.190 0.476
114 HD2 LYS 16 1HD LYS 16 22.207 -12.283 0.524
115 HD3 LYS 16 2HD LYS 16 22.380 -10.528 0.609
116 HE2 LYS 16 1HE LYS 16 22.818 -10.708 2.778
117 HE3 LYS 16 2HE LYS 16 21.193 -11.344 3.030
118 HZ1 LYS 16 3HZ LYS 16 22.006 -13.562 2.685
119 HZ2 LYS 16 1HZ LYS 16 22.945 -12.818 3.879
120 HZ3 LYS 16 2HZ LYS 16 23.555 -12.993 2.312
121 H GLY 17 H GLY 17 17.544 -11.877 0.652
122 HA2 GLY 17 1HA GLY 17 16.349 -13.838 -0.778
123 HA3 GLY 17 2HA GLY 17 18.029 -14.352 -0.760
Start of MODEL 12
1 HA SER 1 HA SER 1 16.577 10.013 10.381
2 HG SER 1 HG SER 1 14.562 11.333 10.420
3 H1 SER 1 1H SER 1 16.328 7.743 8.528
4 HB2 SER 1 1HB SER 1 14.296 9.624 9.000
5 HB3 SER 1 2HB SER 1 13.990 8.558 10.372
6 H ALA 2 H ALA 2 15.335 9.193 12.550
7 HA ALA 2 HA ALA 2 17.039 7.377 13.765
8 HB1 ALA 2 3HB ALA 2 14.912 8.976 14.567
9 HB2 ALA 2 1HB ALA 2 14.428 7.337 15.003
10 HB3 ALA 2 2HB ALA 2 15.950 7.998 15.603
11 H ALA 3 H ALA 3 13.866 6.820 12.295
12 HA ALA 3 HA ALA 3 14.327 3.921 12.566
13 HB1 ALA 3 3HB ALA 3 11.884 5.580 12.794
14 HB2 ALA 3 1HB ALA 3 11.716 3.994 12.039
15 HB3 ALA 3 2HB ALA 3 12.359 4.129 13.677
16 H GLU 4 H GLU 4 14.094 6.506 10.388
17 HA GLU 4 HA GLU 4 13.162 4.970 8.132
18 HB2 GLU 4 1HB GLU 4 14.398 7.726 8.266
19 HB3 GLU 4 2HB GLU 4 13.674 7.010 6.833
20 HG2 GLU 4 1HG GLU 4 11.672 6.764 8.675
21 HG3 GLU 4 2HG GLU 4 12.420 8.294 9.130
22 H ALA 5 H ALA 5 16.171 5.633 9.649
23 HA ALA 5 HA ALA 5 17.715 4.870 7.291
24 HB1 ALA 5 3HB ALA 5 18.252 6.720 9.145
25 HB2 ALA 5 1HB ALA 5 19.075 5.341 9.874
26 HB3 ALA 5 2HB ALA 5 19.508 5.869 8.247
27 H TYR 6 H TYR 6 16.679 3.616 10.375
28 HA TYR 6 HA TYR 6 18.488 1.393 10.398
29 HD1 TYR 6 HD2 TYR 6 18.433 -0.599 12.592
30 HD2 TYR 6 HD1 TYR 6 14.416 0.740 12.172
31 HE1 TYR 6 HE2 TYR 6 17.628 -2.815 13.289
32 HE2 TYR 6 HE1 TYR 6 13.599 -1.473 12.869
33 HH TYR 6 HH TYR 6 14.862 -3.489 14.439
34 HB2 TYR 6 1HB TYR 6 17.808 1.855 12.543
35 HB3 TYR 6 2HB TYR 6 16.178 2.297 12.048
36 H ALA 7 H ALA 7 14.927 1.357 10.308
37 HA ALA 7 HA ALA 7 14.472 -1.178 9.489
38 HB1 ALA 7 3HB ALA 7 13.046 1.366 8.823
39 HB2 ALA 7 1HB ALA 7 12.490 -0.173 8.164
40 HB3 ALA 7 2HB ALA 7 12.563 0.065 9.911
41 H LYS 8 H LYS 8 15.316 1.537 7.372
42 HA LYS 8 HA LYS 8 15.030 0.434 4.891
43 HB2 LYS 8 1HB LYS 8 16.143 2.721 5.833
44 HB3 LYS 8 2HB LYS 8 17.581 1.872 5.283
45 HG2 LYS 8 1HG LYS 8 17.092 2.878 3.336
46 HG3 LYS 8 2HG LYS 8 15.992 1.510 3.147
47 HD2 LYS 8 1HD LYS 8 14.691 3.538 4.677
48 HD3 LYS 8 2HD LYS 8 15.366 4.269 3.219
49 HE2 LYS 8 1HE LYS 8 14.184 2.752 1.818
50 HE3 LYS 8 2HE LYS 8 13.708 1.756 3.192
51 HZ1 LYS 8 3HZ LYS 8 12.875 4.517 3.362
52 HZ2 LYS 8 1HZ LYS 8 12.004 3.101 3.675
53 HZ3 LYS 8 2HZ LYS 8 12.172 3.656 2.087
54 H ARG 9 H ARG 9 17.999 0.237 6.863
55 HA ARG 9 HA ARG 9 19.408 -1.476 5.166
56 HE ARG 9 HE ARG 9 22.376 -0.305 9.555
57 HB2 ARG 9 1HB ARG 9 19.818 -1.778 8.091
58 HB3 ARG 9 2HB ARG 9 20.997 -1.550 6.807
59 HG2 ARG 9 1HG ARG 9 19.792 0.847 6.743
60 HG3 ARG 9 2HG ARG 9 19.568 0.437 8.445
61 HD2 ARG 9 1HD ARG 9 22.256 -0.008 7.274
62 HD3 ARG 9 2HD ARG 9 21.753 1.663 7.533
63 HH11 ARG 9 2HH1 ARG 9 20.835 2.731 8.831
64 HH12 ARG 9 1HH1 ARG 9 20.894 3.301 10.466
65 HH21 ARG 9 2HH2 ARG 9 22.460 0.433 11.712
66 HH22 ARG 9 1HH2 ARG 9 21.820 1.993 12.104
67 H ILE 10 H ILE 10 17.683 -2.338 8.171
68 HA ILE 10 HA ILE 10 17.901 -4.990 8.300
69 HB ILE 10 HB ILE 10 15.100 -3.944 8.397
70 HG12 ILE 10 1HG1 ILE 10 16.252 -2.113 9.380
71 HG13 ILE 10 2HG1 ILE 10 15.671 -3.090 10.723
72 HG21 ILE 10 1HG2 ILE 10 16.738 -5.872 10.023
73 HG22 ILE 10 2HG2 ILE 10 15.141 -5.313 10.516
74 HG23 ILE 10 3HG2 ILE 10 15.333 -6.217 9.015
75 HD11 ILE 10 3HD1 ILE 10 18.444 -3.409 9.642
76 HD12 ILE 10 1HD1 ILE 10 18.048 -2.178 10.841
77 HD13 ILE 10 2HD1 ILE 10 17.805 -3.884 11.216
78 H ALA 11 H ALA 11 15.099 -3.686 6.526
79 HA ALA 11 HA ALA 11 14.174 -5.836 5.242
80 HB1 ALA 11 3HB ALA 11 12.977 -4.040 4.580
81 HB2 ALA 11 1HB ALA 11 14.397 -3.001 4.460
82 HB3 ALA 11 2HB ALA 11 14.023 -4.138 3.164
83 H GLU 12 H GLU 12 16.992 -3.972 4.134
84 HA GLU 12 HA GLU 12 17.525 -5.513 1.844
85 HB2 GLU 12 1HB GLU 12 18.888 -3.443 3.397
86 HB3 GLU 12 2HB GLU 12 19.996 -4.590 2.656
87 HG2 GLU 12 1HG GLU 12 18.466 -4.125 0.543
88 HG3 GLU 12 2HG GLU 12 18.191 -2.608 1.399
89 H ALA 13 H ALA 13 19.304 -5.539 4.939
90 HA ALA 13 HA ALA 13 20.753 -7.880 4.404
91 HB1 ALA 13 3HB ALA 13 20.780 -7.902 7.061
92 HB2 ALA 13 1HB ALA 13 21.713 -6.739 6.119
93 HB3 ALA 13 2HB ALA 13 20.165 -6.266 6.821
94 H MET 14 H MET 14 17.474 -7.507 4.993
95 HA MET 14 HA MET 14 17.226 -10.297 5.907
96 HB2 MET 14 1HB MET 14 15.434 -9.752 7.212
97 HB3 MET 14 2HB MET 14 16.274 -8.208 7.255
98 HG2 MET 14 1HG MET 14 14.305 -7.357 6.653
99 HG3 MET 14 2HG MET 14 14.739 -7.913 5.039
100 HE1 MET 14 3HE MET 14 12.665 -8.122 8.059
101 HE2 MET 14 1HE MET 14 11.515 -7.677 6.798
102 HE3 MET 14 2HE MET 14 11.337 -9.210 7.652
103 H ALA 15 H ALA 15 17.256 -8.704 3.170
104 HA ALA 15 HA ALA 15 14.916 -10.097 2.039
105 HB1 ALA 15 3HB ALA 15 14.462 -7.879 1.607
106 HB2 ALA 15 1HB ALA 15 16.161 -7.464 1.379
107 HB3 ALA 15 2HB ALA 15 15.297 -8.364 0.131
108 H LYS 16 H LYS 16 18.313 -9.261 1.561
109 HA LYS 16 HA LYS 16 18.567 -10.820 -0.839
110 HB2 LYS 16 1HB LYS 16 20.002 -8.901 -0.549
111 HB3 LYS 16 2HB LYS 16 20.619 -9.537 0.971
112 HG2 LYS 16 1HG LYS 16 21.643 -11.407 -0.243
113 HG3 LYS 16 2HG LYS 16 21.054 -10.727 -1.762
114 HD2 LYS 16 1HD LYS 16 22.561 -8.848 -0.087
115 HD3 LYS 16 2HD LYS 16 23.500 -10.223 -0.672
116 HE2 LYS 16 1HE LYS 16 23.238 -9.631 -2.883
117 HE3 LYS 16 2HE LYS 16 21.751 -8.735 -2.576
118 HZ1 LYS 16 3HZ LYS 16 23.848 -7.412 -3.089
119 HZ2 LYS 16 1HZ LYS 16 24.349 -7.804 -1.522
120 HZ3 LYS 16 2HZ LYS 16 22.928 -6.919 -1.758
121 H GLY 17 H GLY 17 19.798 -11.168 2.493
122 HA2 GLY 17 1HA GLY 17 20.824 -13.793 2.038
123 HA3 GLY 17 2HA GLY 17 20.626 -13.011 3.599
Start of MODEL 13
1 HA SER 1 HA SER 1 15.356 9.841 10.500
2 HG SER 1 HG SER 1 14.765 11.678 11.738
3 H1 SER 1 1H SER 1 12.999 8.524 9.549
4 HB2 SER 1 1HB SER 1 12.553 10.215 10.731
5 HB3 SER 1 2HB SER 1 13.191 10.062 12.368
6 H ALA 2 H ALA 2 12.992 8.069 12.474
7 HA ALA 2 HA ALA 2 15.239 6.980 14.031
8 HB1 ALA 2 3HB ALA 2 14.031 8.063 15.619
9 HB2 ALA 2 1HB ALA 2 12.510 7.884 14.745
10 HB3 ALA 2 2HB ALA 2 13.174 6.522 15.648
11 H ALA 3 H ALA 3 12.614 6.146 11.982
12 HA ALA 3 HA ALA 3 13.153 3.295 12.477
13 HB1 ALA 3 3HB ALA 3 10.509 3.482 11.551
14 HB2 ALA 3 1HB ALA 3 11.063 2.991 13.152
15 HB3 ALA 3 2HB ALA 3 10.672 4.682 12.834
16 H GLU 4 H GLU 4 13.194 5.811 10.316
17 HA GLU 4 HA GLU 4 12.693 4.112 7.980
18 HB2 GLU 4 1HB GLU 4 13.313 7.048 7.861
19 HB3 GLU 4 2HB GLU 4 12.425 6.062 6.708
20 HG2 GLU 4 1HG GLU 4 10.971 5.880 9.074
21 HG3 GLU 4 2HG GLU 4 11.463 7.569 8.964
22 H ALA 5 H ALA 5 15.217 5.595 9.787
23 HA ALA 5 HA ALA 5 17.168 5.372 7.645
24 HB1 ALA 5 3HB ALA 5 16.991 6.781 10.159
25 HB2 ALA 5 1HB ALA 5 18.528 5.931 10.006
26 HB3 ALA 5 2HB ALA 5 18.032 7.086 8.768
27 H TYR 6 H TYR 6 16.228 3.698 10.577
28 HA TYR 6 HA TYR 6 18.513 1.929 10.511
29 HD1 TYR 6 HD1 TYR 6 18.952 -0.149 12.394
30 HD2 TYR 6 HD2 TYR 6 14.764 0.524 12.716
31 HE1 TYR 6 HE1 TYR 6 18.633 -2.494 13.065
32 HE2 TYR 6 HE2 TYR 6 14.433 -1.818 13.389
33 HH TYR 6 HH TYR 6 17.181 -4.002 13.853
34 HB2 TYR 6 1HB TYR 6 17.874 2.205 12.700
35 HB3 TYR 6 2HB TYR 6 16.165 2.329 12.300
36 H ALA 7 H ALA 7 15.030 1.187 10.601
37 HA ALA 7 HA ALA 7 15.117 -1.381 9.669
38 HB1 ALA 7 3HB ALA 7 12.800 -0.839 8.675
39 HB2 ALA 7 1HB ALA 7 13.037 -0.662 10.414
40 HB3 ALA 7 2HB ALA 7 13.046 0.762 9.372
41 H LYS 8 H LYS 8 15.794 1.485 7.912
42 HA LYS 8 HA LYS 8 15.159 0.776 5.302
43 HB2 LYS 8 1HB LYS 8 16.787 2.756 6.612
44 HB3 LYS 8 2HB LYS 8 17.624 2.144 5.192
45 HG2 LYS 8 1HG LYS 8 14.765 3.005 5.022
46 HG3 LYS 8 2HG LYS 8 16.075 4.186 4.949
47 HD2 LYS 8 1HD LYS 8 16.943 2.305 3.183
48 HD3 LYS 8 2HD LYS 8 15.194 2.213 2.961
49 HE2 LYS 8 1HE LYS 8 15.757 3.855 1.450
50 HE3 LYS 8 2HE LYS 8 15.359 4.817 2.872
51 HZ1 LYS 8 3HZ LYS 8 17.494 5.439 3.161
52 HZ2 LYS 8 1HZ LYS 8 17.597 5.130 1.501
53 HZ3 LYS 8 2HZ LYS 8 18.132 3.972 2.611
54 H ARG 9 H ARG 9 18.476 0.644 6.601
55 HA ARG 9 HA ARG 9 19.565 -0.955 4.637
56 HE ARG 9 HE ARG 9 22.728 2.591 8.306
57 HB2 ARG 9 1HB ARG 9 20.502 -1.393 7.428
58 HB3 ARG 9 2HB ARG 9 21.431 -1.101 5.964
59 HG2 ARG 9 1HG ARG 9 20.219 1.277 6.199
60 HG3 ARG 9 2HG ARG 9 20.287 0.805 7.899
61 HD2 ARG 9 1HD ARG 9 22.797 0.180 6.792
62 HD3 ARG 9 2HD ARG 9 22.378 1.788 6.201
63 HH11 ARG 9 2HH1 ARG 9 22.198 -0.844 8.501
64 HH12 ARG 9 1HH1 ARG 9 22.541 -0.933 10.197
65 HH21 ARG 9 2HH2 ARG 9 23.182 2.487 10.539
66 HH22 ARG 9 1HH2 ARG 9 23.099 0.963 11.355
67 H ILE 10 H ILE 10 18.455 -2.082 7.838
68 HA ILE 10 HA ILE 10 18.781 -4.732 7.715
69 HB ILE 10 HB ILE 10 16.034 -3.813 8.458
70 HG12 ILE 10 1HG1 ILE 10 17.298 -2.009 9.334
71 HG13 ILE 10 2HG1 ILE 10 17.057 -3.111 10.685
72 HG21 ILE 10 1HG2 ILE 10 16.452 -6.112 8.836
73 HG22 ILE 10 2HG2 ILE 10 18.022 -5.779 9.565
74 HG23 ILE 10 3HG2 ILE 10 16.543 -5.326 10.412
75 HD11 ILE 10 3HD1 ILE 10 19.470 -3.817 9.358
76 HD12 ILE 10 1HD1 ILE 10 19.475 -2.081 9.672
77 HD13 ILE 10 2HD1 ILE 10 19.238 -3.217 11.001
78 H ALA 11 H ALA 11 15.643 -3.420 6.653
79 HA ALA 11 HA ALA 11 14.537 -5.514 5.414
80 HB1 ALA 11 3HB ALA 11 13.683 -3.841 3.653
81 HB2 ALA 11 1HB ALA 11 13.295 -3.549 5.349
82 HB3 ALA 11 2HB ALA 11 14.592 -2.640 4.571
83 H GLU 12 H GLU 12 17.016 -3.447 3.928
84 HA GLU 12 HA GLU 12 17.106 -4.768 1.448
85 HB2 GLU 12 1HB GLU 12 18.707 -2.777 2.873
86 HB3 GLU 12 2HB GLU 12 19.667 -3.810 1.823
87 HG2 GLU 12 1HG GLU 12 17.724 -3.237 0.114
88 HG3 GLU 12 2HG GLU 12 17.594 -1.810 1.141
89 H ALA 13 H ALA 13 19.480 -4.974 4.107
90 HA ALA 13 HA ALA 13 20.841 -7.204 3.080
91 HB1 ALA 13 3HB ALA 13 21.955 -5.884 4.689
92 HB2 ALA 13 1HB ALA 13 20.649 -6.073 5.859
93 HB3 ALA 13 2HB ALA 13 21.677 -7.448 5.455
94 H MET 14 H MET 14 17.760 -6.999 4.413
95 HA MET 14 HA MET 14 17.773 -9.859 5.118
96 HB2 MET 14 1HB MET 14 16.266 -9.477 6.790
97 HB3 MET 14 2HB MET 14 17.055 -7.906 6.779
98 HG2 MET 14 1HG MET 14 14.983 -7.098 6.645
99 HG3 MET 14 2HG MET 14 15.098 -7.527 4.940
100 HE1 MET 14 3HE MET 14 12.400 -9.238 8.118
101 HE2 MET 14 1HE MET 14 14.110 -9.529 8.436
102 HE3 MET 14 2HE MET 14 13.524 -7.881 8.209
103 H ALA 15 H ALA 15 17.207 -8.088 2.554
104 HA ALA 15 HA ALA 15 14.740 -9.519 1.805
105 HB1 ALA 15 3HB ALA 15 14.253 -7.199 1.797
106 HB2 ALA 15 1HB ALA 15 15.743 -6.820 0.932
107 HB3 ALA 15 2HB ALA 15 14.440 -7.681 0.111
108 H LYS 16 H LYS 16 18.040 -8.842 1.040
109 HA LYS 16 HA LYS 16 18.230 -9.429 -1.640
110 HB2 LYS 16 1HB LYS 16 20.505 -9.838 -1.293
111 HB3 LYS 16 2HB LYS 16 20.071 -8.781 0.044
112 HG2 LYS 16 1HG LYS 16 19.800 -10.833 1.457
113 HG3 LYS 16 2HG LYS 16 20.490 -11.758 0.121
114 HD2 LYS 16 1HD LYS 16 22.466 -10.176 0.226
115 HD3 LYS 16 2HD LYS 16 21.796 -9.589 1.750
116 HE2 LYS 16 1HE LYS 16 22.017 -11.731 2.763
117 HE3 LYS 16 2HE LYS 16 22.392 -12.492 1.217
118 HZ1 LYS 16 3HZ LYS 16 24.516 -12.175 1.713
119 HZ2 LYS 16 1HZ LYS 16 24.141 -11.227 3.063
120 HZ3 LYS 16 2HZ LYS 16 24.273 -10.510 1.537
121 H GLY 17 H GLY 17 17.867 -11.652 1.068
122 HA2 GLY 17 1HA GLY 17 18.106 -13.974 -0.669
123 HA3 GLY 17 2HA GLY 17 17.849 -13.993 1.069
Start of MODEL 14
1 HA SER 1 HA SER 1 13.732 10.640 12.524
2 HG SER 1 HG SER 1 10.380 10.324 12.888
3 H1 SER 1 1H SER 1 12.974 9.870 9.854
4 HB2 SER 1 1HB SER 1 11.492 9.225 11.255
5 HB3 SER 1 2HB SER 1 11.937 8.584 12.836
6 H ALA 2 H ALA 2 13.571 8.561 14.124
7 HA ALA 2 HA ALA 2 16.022 7.152 13.659
8 HB1 ALA 2 3HB ALA 2 15.666 7.727 15.893
9 HB2 ALA 2 1HB ALA 2 14.001 7.144 15.875
10 HB3 ALA 2 2HB ALA 2 15.339 5.995 15.843
11 H ALA 3 H ALA 3 12.722 6.547 12.991
12 HA ALA 3 HA ALA 3 13.092 3.657 12.819
13 HB1 ALA 3 3HB ALA 3 10.647 3.731 12.125
14 HB2 ALA 3 1HB ALA 3 11.023 4.224 13.776
15 HB3 ALA 3 2HB ALA 3 10.693 5.443 12.544
16 H GLU 4 H GLU 4 13.260 6.426 10.837
17 HA GLU 4 HA GLU 4 12.744 4.960 8.374
18 HB2 GLU 4 1HB GLU 4 12.581 6.991 7.315
19 HB3 GLU 4 2HB GLU 4 12.122 7.457 8.947
20 HG2 GLU 4 1HG GLU 4 14.311 8.327 9.379
21 HG3 GLU 4 2HG GLU 4 14.906 7.712 7.838
22 H ALA 5 H ALA 5 15.385 5.949 10.343
23 HA ALA 5 HA ALA 5 17.338 5.598 8.207
24 HB1 ALA 5 3HB ALA 5 17.899 6.191 11.103
25 HB2 ALA 5 1HB ALA 5 18.960 6.442 9.717
26 HB3 ALA 5 2HB ALA 5 17.517 7.437 9.915
27 H TYR 6 H TYR 6 15.948 3.858 10.843
28 HA TYR 6 HA TYR 6 18.087 1.912 10.988
29 HD1 TYR 6 HD1 TYR 6 18.093 -0.260 12.923
30 HD2 TYR 6 HD2 TYR 6 13.974 0.637 12.351
31 HE1 TYR 6 HE1 TYR 6 17.525 -2.612 13.368
32 HE2 TYR 6 HE2 TYR 6 13.394 -1.711 12.796
33 HH TYR 6 HH TYR 6 14.237 -3.810 12.990
34 HB2 TYR 6 1HB TYR 6 17.144 2.111 13.076
35 HB3 TYR 6 2HB TYR 6 15.527 2.387 12.439
36 H ALA 7 H ALA 7 14.585 1.453 10.535
37 HA ALA 7 HA ALA 7 14.587 -1.036 9.440
38 HB1 ALA 7 3HB ALA 7 12.520 -0.278 8.161
39 HB2 ALA 7 1HB ALA 7 12.501 -0.071 9.913
40 HB3 ALA 7 2HB ALA 7 12.808 1.314 8.863
41 H LYS 8 H LYS 8 15.061 2.013 7.690
42 HA LYS 8 HA LYS 8 15.046 1.383 5.102
43 HB2 LYS 8 1HB LYS 8 16.557 3.229 6.711
44 HB3 LYS 8 2HB LYS 8 17.558 2.637 5.391
45 HG2 LYS 8 1HG LYS 8 14.790 3.703 4.939
46 HG3 LYS 8 2HG LYS 8 16.212 4.748 4.975
47 HD2 LYS 8 1HD LYS 8 16.934 4.041 2.961
48 HD3 LYS 8 2HD LYS 8 16.464 2.367 3.269
49 HE2 LYS 8 1HE LYS 8 14.136 2.929 2.804
50 HE3 LYS 8 2HE LYS 8 14.586 4.611 2.531
51 HZ1 LYS 8 3HZ LYS 8 14.309 3.153 0.500
52 HZ2 LYS 8 1HZ LYS 8 15.756 2.402 0.949
53 HZ3 LYS 8 2HZ LYS 8 15.737 4.054 0.589
54 H ARG 9 H ARG 9 17.913 0.740 7.129
55 HA ARG 9 HA ARG 9 19.273 -0.751 5.150
56 HE ARG 9 HE ARG 9 23.384 -1.585 6.782
57 HB2 ARG 9 1HB ARG 9 19.580 -0.458 8.123
58 HB3 ARG 9 2HB ARG 9 20.553 -1.623 7.234
59 HG2 ARG 9 1HG ARG 9 20.466 1.172 6.237
60 HG3 ARG 9 2HG ARG 9 21.396 0.830 7.697
61 HD2 ARG 9 1HD ARG 9 21.757 -0.936 5.328
62 HD3 ARG 9 2HD ARG 9 22.486 0.669 5.301
63 HH11 ARG 9 2HH1 ARG 9 23.134 1.886 6.879
64 HH12 ARG 9 1HH1 ARG 9 24.490 2.084 7.939
65 HH21 ARG 9 2HH2 ARG 9 25.171 -1.337 8.178
66 HH22 ARG 9 1HH2 ARG 9 25.648 0.250 8.677
67 H ILE 10 H ILE 10 17.900 -1.962 8.213
68 HA ILE 10 HA ILE 10 18.033 -4.607 7.944
69 HB ILE 10 HB ILE 10 15.318 -3.546 8.612
70 HG12 ILE 10 1HG1 ILE 10 16.661 -1.882 9.645
71 HG13 ILE 10 2HG1 ILE 10 16.265 -3.032 10.918
72 HG21 ILE 10 1HG2 ILE 10 15.571 -5.887 8.871
73 HG22 ILE 10 2HG2 ILE 10 17.116 -5.697 9.699
74 HG23 ILE 10 3HG2 ILE 10 15.624 -5.196 10.493
75 HD11 ILE 10 3HD1 ILE 10 18.676 -3.893 9.736
76 HD12 ILE 10 1HD1 ILE 10 18.816 -2.159 10.026
77 HD13 ILE 10 2HD1 ILE 10 18.417 -3.247 11.356
78 H ALA 11 H ALA 11 15.044 -3.027 6.818
79 HA ALA 11 HA ALA 11 13.855 -4.959 5.413
80 HB1 ALA 11 3HB ALA 11 12.721 -2.963 5.319
81 HB2 ALA 11 1HB ALA 11 14.146 -2.051 4.821
82 HB3 ALA 11 2HB ALA 11 13.315 -3.090 3.663
83 H GLU 12 H GLU 12 16.541 -3.009 4.137
84 HA GLU 12 HA GLU 12 16.668 -4.236 1.612
85 HB2 GLU 12 1HB GLU 12 18.324 -2.417 3.193
86 HB3 GLU 12 2HB GLU 12 19.266 -3.471 2.148
87 HG2 GLU 12 1HG GLU 12 17.453 -2.701 0.374
88 HG3 GLU 12 2HG GLU 12 17.367 -1.309 1.452
89 H ALA 13 H ALA 13 18.892 -4.708 4.364
90 HA ALA 13 HA ALA 13 20.261 -6.896 3.375
91 HB1 ALA 13 3HB ALA 13 20.163 -7.380 6.089
92 HB2 ALA 13 1HB ALA 13 21.340 -6.366 5.252
93 HB3 ALA 13 2HB ALA 13 19.901 -5.640 5.969
94 H MET 14 H MET 14 17.014 -6.719 4.406
95 HA MET 14 HA MET 14 16.788 -9.555 4.991
96 HB2 MET 14 1HB MET 14 14.709 -7.363 4.871
97 HB3 MET 14 2HB MET 14 14.379 -9.027 5.335
98 HG2 MET 14 1HG MET 14 16.505 -8.215 6.951
99 HG3 MET 14 2HG MET 14 15.391 -6.851 6.911
100 HE1 MET 14 3HE MET 14 16.083 -10.419 7.613
101 HE2 MET 14 1HE MET 14 14.858 -10.949 8.767
102 HE3 MET 14 2HE MET 14 14.500 -10.949 7.040
103 H ALA 15 H ALA 15 17.444 -8.314 2.260
104 HA ALA 15 HA ALA 15 15.300 -9.632 0.728
105 HB1 ALA 15 3HB ALA 15 16.005 -7.089 0.440
106 HB2 ALA 15 1HB ALA 15 17.208 -7.811 -0.629
107 HB3 ALA 15 2HB ALA 15 15.490 -8.080 -0.925
108 H LYS 16 H LYS 16 18.480 -9.941 1.740
109 HA LYS 16 HA LYS 16 19.483 -11.310 -0.597
110 HB2 LYS 16 1HB LYS 16 20.683 -10.011 1.497
111 HB3 LYS 16 2HB LYS 16 20.918 -11.697 1.938
112 HG2 LYS 16 1HG LYS 16 21.757 -11.948 -0.507
113 HG3 LYS 16 2HG LYS 16 21.957 -10.196 -0.423
114 HD2 LYS 16 1HD LYS 16 23.594 -10.329 1.200
115 HD3 LYS 16 2HD LYS 16 23.049 -11.909 1.768
116 HE2 LYS 16 1HE LYS 16 23.876 -12.917 -0.320
117 HE3 LYS 16 2HE LYS 16 24.459 -11.336 -0.838
118 HZ1 LYS 16 3HZ LYS 16 25.371 -12.193 1.774
119 HZ2 LYS 16 1HZ LYS 16 26.226 -11.451 0.517
120 HZ3 LYS 16 2HZ LYS 16 25.945 -13.119 0.480
121 H GLY 17 H GLY 17 17.220 -12.583 -0.044
122 HA2 GLY 17 1HA GLY 17 17.750 -15.230 0.045
123 HA3 GLY 17 2HA GLY 17 17.652 -14.812 1.749
Start of MODEL 15
1 HA SER 1 HA SER 1 13.991 10.856 11.439
2 HG SER 1 HG SER 1 11.208 11.220 10.252
3 H1 SER 1 1H SER 1 13.022 10.488 8.922
4 HB2 SER 1 1HB SER 1 11.716 9.114 10.492
5 HB3 SER 1 2HB SER 1 12.051 9.376 12.204
6 H ALA 2 H ALA 2 13.980 9.106 13.234
7 HA ALA 2 HA ALA 2 16.224 7.475 12.880
8 HB1 ALA 2 3HB ALA 2 16.092 7.349 15.091
9 HB2 ALA 2 1HB ALA 2 14.565 8.229 15.012
10 HB3 ALA 2 2HB ALA 2 14.569 6.465 14.993
11 H ALA 3 H ALA 3 12.777 6.591 13.024
12 HA ALA 3 HA ALA 3 13.154 3.833 12.596
13 HB1 ALA 3 3HB ALA 3 11.066 5.124 13.415
14 HB2 ALA 3 1HB ALA 3 10.683 5.262 11.699
15 HB3 ALA 3 2HB ALA 3 10.848 3.670 12.441
16 H GLU 4 H GLU 4 13.407 6.493 10.480
17 HA GLU 4 HA GLU 4 12.873 4.933 8.084
18 HB2 GLU 4 1HB GLU 4 13.727 7.807 8.462
19 HB3 GLU 4 2HB GLU 4 13.423 7.062 6.899
20 HG2 GLU 4 1HG GLU 4 11.174 6.587 8.567
21 HG3 GLU 4 2HG GLU 4 11.585 8.299 8.653
22 H ALA 5 H ALA 5 15.532 5.891 10.042
23 HA ALA 5 HA ALA 5 17.491 5.346 7.950
24 HB1 ALA 5 3HB ALA 5 17.975 6.130 10.820
25 HB2 ALA 5 1HB ALA 5 19.146 6.139 9.500
26 HB3 ALA 5 2HB ALA 5 17.793 7.271 9.487
27 H TYR 6 H TYR 6 16.040 3.844 10.713
28 HA TYR 6 HA TYR 6 18.075 1.818 10.993
29 HD1 TYR 6 HD1 TYR 6 17.928 -0.256 13.047
30 HD2 TYR 6 HD2 TYR 6 13.873 0.776 12.272
31 HE1 TYR 6 HE1 TYR 6 17.245 -2.556 13.591
32 HE2 TYR 6 HE2 TYR 6 13.179 -1.520 12.815
33 HH TYR 6 HH TYR 6 14.247 -3.456 14.334
34 HB2 TYR 6 1HB TYR 6 17.081 2.154 13.037
35 HB3 TYR 6 2HB TYR 6 15.496 2.465 12.337
36 H ALA 7 H ALA 7 14.574 1.475 10.430
37 HA ALA 7 HA ALA 7 14.498 -1.072 9.490
38 HB1 ALA 7 3HB ALA 7 12.391 -0.261 9.631
39 HB2 ALA 7 1HB ALA 7 12.843 1.328 9.012
40 HB3 ALA 7 2HB ALA 7 12.618 -0.022 7.898
41 H LYS 8 H LYS 8 15.221 1.829 7.582
42 HA LYS 8 HA LYS 8 15.289 1.039 5.040
43 HB2 LYS 8 1HB LYS 8 16.182 3.205 5.941
44 HB3 LYS 8 2HB LYS 8 17.682 2.369 6.319
45 HG2 LYS 8 1HG LYS 8 18.385 2.411 4.196
46 HG3 LYS 8 2HG LYS 8 16.785 2.035 3.553
47 HD2 LYS 8 1HD LYS 8 17.072 4.711 4.748
48 HD3 LYS 8 2HD LYS 8 18.011 4.433 3.280
49 HE2 LYS 8 1HE LYS 8 16.004 5.218 2.441
50 HE3 LYS 8 2HE LYS 8 15.790 3.471 2.347
51 HZ1 LYS 8 3HZ LYS 8 14.406 5.413 3.978
52 HZ2 LYS 8 1HZ LYS 8 14.857 4.006 4.802
53 HZ3 LYS 8 2HZ LYS 8 13.889 3.903 3.419
54 H ARG 9 H ARG 9 18.022 0.374 7.237
55 HA ARG 9 HA ARG 9 19.383 -1.310 5.423
56 HE ARG 9 HE ARG 9 23.344 -0.763 8.095
57 HB2 ARG 9 1HB ARG 9 19.568 -0.849 8.384
58 HB3 ARG 9 2HB ARG 9 20.512 -2.119 7.618
59 HG2 ARG 9 1HG ARG 9 20.633 0.608 6.452
60 HG3 ARG 9 2HG ARG 9 21.474 0.307 7.974
61 HD2 ARG 9 1HD ARG 9 21.921 -1.779 5.992
62 HD3 ARG 9 2HD ARG 9 22.456 -0.190 5.448
63 HH11 ARG 9 2HH1 ARG 9 23.990 -1.385 4.731
64 HH12 ARG 9 1HH1 ARG 9 25.677 -1.692 4.977
65 HH21 ARG 9 2HH2 ARG 9 25.564 -1.166 8.432
66 HH22 ARG 9 1HH2 ARG 9 26.571 -1.569 7.083
67 H ILE 10 H ILE 10 17.807 -2.255 8.482
68 HA ILE 10 HA ILE 10 17.799 -4.913 8.379
69 HB ILE 10 HB ILE 10 15.119 -3.667 8.840
70 HG12 ILE 10 1HG1 ILE 10 16.510 -2.018 9.837
71 HG13 ILE 10 2HG1 ILE 10 15.978 -3.058 11.155
72 HG21 ILE 10 1HG2 ILE 10 15.228 -5.999 9.250
73 HG22 ILE 10 2HG2 ILE 10 16.737 -5.840 10.148
74 HG23 ILE 10 3HG2 ILE 10 15.236 -5.211 10.827
75 HD11 ILE 10 3HD1 ILE 10 18.072 -4.053 11.368
76 HD12 ILE 10 1HD1 ILE 10 18.599 -3.498 9.779
77 HD13 ILE 10 2HD1 ILE 10 18.423 -2.345 11.102
78 H ALA 11 H ALA 11 14.963 -3.249 7.005
79 HA ALA 11 HA ALA 11 13.737 -5.201 5.660
80 HB1 ALA 11 3HB ALA 11 13.435 -3.392 3.762
81 HB2 ALA 11 1HB ALA 11 12.694 -3.194 5.350
82 HB3 ALA 11 2HB ALA 11 14.192 -2.347 4.963
83 H GLU 12 H GLU 12 16.586 -3.477 4.410
84 HA GLU 12 HA GLU 12 16.766 -4.865 1.973
85 HB2 GLU 12 1HB GLU 12 18.441 -3.039 3.524
86 HB3 GLU 12 2HB GLU 12 19.373 -4.204 2.594
87 HG2 GLU 12 1HG GLU 12 17.692 -3.454 0.687
88 HG3 GLU 12 2HG GLU 12 17.631 -1.994 1.673
89 H ALA 13 H ALA 13 18.824 -5.279 4.860
90 HA ALA 13 HA ALA 13 20.138 -7.575 4.091
91 HB1 ALA 13 3HB ALA 13 20.009 -8.004 6.728
92 HB2 ALA 13 1HB ALA 13 21.053 -6.782 6.003
93 HB3 ALA 13 2HB ALA 13 19.496 -6.318 6.689
94 H MET 14 H MET 14 16.838 -7.206 4.917
95 HA MET 14 HA MET 14 16.484 -10.058 5.448
96 HB2 MET 14 1HB MET 14 14.607 -7.702 5.617
97 HB3 MET 14 2HB MET 14 14.078 -9.365 5.834
98 HG2 MET 14 1HG MET 14 15.819 -9.528 7.666
99 HG3 MET 14 2HG MET 14 15.958 -7.775 7.547
100 HE1 MET 14 3HE MET 14 14.823 -10.491 9.215
101 HE2 MET 14 1HE MET 14 14.619 -9.356 10.550
102 HE3 MET 14 2HE MET 14 13.224 -10.226 9.912
103 H ALA 15 H ALA 15 17.185 -8.852 2.782
104 HA ALA 15 HA ALA 15 14.979 -10.082 1.268
105 HB1 ALA 15 3HB ALA 15 15.847 -7.372 1.147
106 HB2 ALA 15 1HB ALA 15 16.227 -8.157 -0.386
107 HB3 ALA 15 2HB ALA 15 14.572 -8.168 0.225
108 H LYS 16 H LYS 16 18.343 -8.938 0.930
109 HA LYS 16 HA LYS 16 19.110 -10.421 -1.251
110 HB2 LYS 16 1HB LYS 16 20.547 -8.738 -0.220
111 HB3 LYS 16 2HB LYS 16 20.754 -9.756 1.199
112 HG2 LYS 16 1HG LYS 16 22.587 -10.542 0.232
113 HG3 LYS 16 2HG LYS 16 21.529 -11.376 -0.909
114 HD2 LYS 16 1HD LYS 16 22.666 -10.211 -2.461
115 HD3 LYS 16 2HD LYS 16 21.605 -8.883 -1.986
116 HE2 LYS 16 1HE LYS 16 23.699 -7.911 -1.857
117 HE3 LYS 16 2HE LYS 16 23.416 -8.413 -0.191
118 HZ1 LYS 16 3HZ LYS 16 25.660 -8.959 -1.083
119 HZ2 LYS 16 1HZ LYS 16 24.926 -10.044 -2.154
120 HZ3 LYS 16 2HZ LYS 16 24.808 -10.293 -0.485
121 H GLY 17 H GLY 17 19.632 -11.400 2.148
122 HA2 GLY 17 1HA GLY 17 19.228 -14.191 1.311
123 HA3 GLY 17 2HA GLY 17 20.691 -13.762 2.186
Start of MODEL 16
1 HA SER 1 HA SER 1 14.113 10.512 11.317
2 HG SER 1 HG SER 1 12.189 11.075 11.428
3 H1 SER 1 1H SER 1 14.492 8.897 8.888
4 HB2 SER 1 1HB SER 1 12.237 9.389 9.590
5 HB3 SER 1 2HB SER 1 12.236 8.313 10.987
6 H ALA 2 H ALA 2 13.359 8.976 13.218
7 HA ALA 2 HA ALA 2 15.631 7.455 13.947
8 HB1 ALA 2 3HB ALA 2 14.780 7.648 15.993
9 HB2 ALA 2 1HB ALA 2 13.458 8.567 15.271
10 HB3 ALA 2 2HB ALA 2 13.290 6.829 15.524
11 H ALA 3 H ALA 3 12.319 6.508 13.060
12 HA ALA 3 HA ALA 3 13.096 3.699 13.031
13 HB1 ALA 3 3HB ALA 3 11.008 3.522 13.785
14 HB2 ALA 3 1HB ALA 3 10.608 5.168 13.291
15 HB3 ALA 3 2HB ALA 3 10.486 3.843 12.132
16 H GLU 4 H GLU 4 12.863 6.319 10.880
17 HA GLU 4 HA GLU 4 12.374 4.699 8.524
18 HB2 GLU 4 1HB GLU 4 13.060 7.630 8.814
19 HB3 GLU 4 2HB GLU 4 12.656 6.836 7.298
20 HG2 GLU 4 1HG GLU 4 10.518 6.154 8.799
21 HG3 GLU 4 2HG GLU 4 10.919 7.725 9.491
22 H ALA 5 H ALA 5 15.050 5.850 10.345
23 HA ALA 5 HA ALA 5 16.940 5.484 8.157
24 HB1 ALA 5 3HB ALA 5 17.271 6.412 11.001
25 HB2 ALA 5 1HB ALA 5 18.625 6.159 9.899
26 HB3 ALA 5 2HB ALA 5 17.396 7.368 9.525
27 H TYR 6 H TYR 6 15.782 3.838 10.995
28 HA TYR 6 HA TYR 6 17.944 1.942 11.092
29 HD1 TYR 6 HD2 TYR 6 18.045 -0.223 12.974
30 HD2 TYR 6 HD1 TYR 6 13.884 0.609 12.661
31 HE1 TYR 6 HE2 TYR 6 17.542 -2.576 13.480
32 HE2 TYR 6 HE1 TYR 6 13.370 -1.742 13.167
33 HH TYR 6 HH TYR 6 15.956 -4.084 13.839
34 HB2 TYR 6 1HB TYR 6 17.037 2.150 13.191
35 HB3 TYR 6 2HB TYR 6 15.401 2.374 12.582
36 H ALA 7 H ALA 7 14.456 1.327 10.734
37 HA ALA 7 HA ALA 7 14.518 -1.182 9.709
38 HB1 ALA 7 3HB ALA 7 12.669 1.102 9.112
39 HB2 ALA 7 1HB ALA 7 12.427 -0.492 8.395
40 HB3 ALA 7 2HB ALA 7 12.403 -0.300 10.149
41 H LYS 8 H LYS 8 14.907 1.817 7.857
42 HA LYS 8 HA LYS 8 14.883 1.106 5.291
43 HB2 LYS 8 1HB LYS 8 15.618 3.316 6.074
44 HB3 LYS 8 2HB LYS 8 17.157 2.629 6.577
45 HG2 LYS 8 1HG LYS 8 17.197 1.877 4.023
46 HG3 LYS 8 2HG LYS 8 16.170 3.304 3.872
47 HD2 LYS 8 1HD LYS 8 17.893 4.695 4.187
48 HD3 LYS 8 2HD LYS 8 18.490 3.769 5.566
49 HE2 LYS 8 1HE LYS 8 20.159 3.773 3.829
50 HE3 LYS 8 2HE LYS 8 19.494 2.148 3.989
51 HZ1 LYS 8 3HZ LYS 8 19.785 3.033 1.657
52 HZ2 LYS 8 1HZ LYS 8 18.486 4.069 1.976
53 HZ3 LYS 8 2HZ LYS 8 18.263 2.393 2.027
54 H ARG 9 H ARG 9 17.779 0.586 7.311
55 HA ARG 9 HA ARG 9 19.154 -0.937 5.367
56 HE ARG 9 HE ARG 9 22.655 1.741 5.810
57 HB2 ARG 9 1HB ARG 9 19.479 -0.544 8.326
58 HB3 ARG 9 2HB ARG 9 20.467 -1.718 7.468
59 HG2 ARG 9 1HG ARG 9 20.319 1.039 6.379
60 HG3 ARG 9 2HG ARG 9 21.264 0.766 7.844
61 HD2 ARG 9 1HD ARG 9 22.521 -0.998 6.677
62 HD3 ARG 9 2HD ARG 9 21.599 -0.667 5.211
63 HH11 ARG 9 2HH1 ARG 9 24.032 -1.441 5.493
64 HH12 ARG 9 1HH1 ARG 9 25.574 -0.862 4.956
65 HH21 ARG 9 2HH2 ARG 9 24.681 2.516 5.104
66 HH22 ARG 9 1HH2 ARG 9 25.942 1.389 4.735
67 H ILE 10 H ILE 10 17.836 -2.083 8.480
68 HA ILE 10 HA ILE 10 18.020 -4.730 8.292
69 HB ILE 10 HB ILE 10 15.288 -3.704 8.946
70 HG12 ILE 10 1HG1 ILE 10 16.610 -1.983 9.915
71 HG13 ILE 10 2HG1 ILE 10 16.236 -3.096 11.226
72 HG21 ILE 10 1HG2 ILE 10 15.642 -5.288 10.876
73 HG22 ILE 10 2HG2 ILE 10 15.587 -6.029 9.278
74 HG23 ILE 10 3HG2 ILE 10 17.136 -5.787 10.084
75 HD11 ILE 10 3HD1 ILE 10 18.796 -3.298 9.688
76 HD12 ILE 10 1HD1 ILE 10 18.615 -2.198 11.055
77 HD13 ILE 10 2HD1 ILE 10 18.408 -3.935 11.286
78 H ALA 11 H ALA 11 14.991 -3.250 7.138
79 HA ALA 11 HA ALA 11 13.834 -5.249 5.804
80 HB1 ALA 11 3HB ALA 11 12.644 -3.301 5.631
81 HB2 ALA 11 1HB ALA 11 14.051 -2.354 5.147
82 HB3 ALA 11 2HB ALA 11 13.272 -3.432 3.988
83 H GLU 12 H GLU 12 16.472 -3.288 4.447
84 HA GLU 12 HA GLU 12 16.607 -4.598 1.963
85 HB2 GLU 12 1HB GLU 12 18.234 -2.690 3.468
86 HB3 GLU 12 2HB GLU 12 19.191 -3.759 2.452
87 HG2 GLU 12 1HG GLU 12 17.349 -3.089 0.668
88 HG3 GLU 12 2HG GLU 12 17.240 -1.664 1.699
89 H ALA 13 H ALA 13 18.860 -4.926 4.713
90 HA ALA 13 HA ALA 13 20.263 -7.123 3.784
91 HB1 ALA 13 3HB ALA 13 20.270 -7.525 6.489
92 HB2 ALA 13 1HB ALA 13 21.346 -6.434 5.615
93 HB3 ALA 13 2HB ALA 13 19.876 -5.811 6.365
94 H MET 14 H MET 14 17.036 -6.965 4.910
95 HA MET 14 HA MET 14 16.914 -9.842 5.421
96 HB2 MET 14 1HB MET 14 15.088 -7.536 5.989
97 HB3 MET 14 2HB MET 14 14.440 -9.170 5.946
98 HG2 MET 14 1HG MET 14 16.643 -9.453 7.543
99 HG3 MET 14 2HG MET 14 16.060 -7.846 7.971
100 HE1 MET 14 3HE MET 14 12.767 -7.963 8.991
101 HE2 MET 14 1HE MET 14 13.362 -7.859 7.334
102 HE3 MET 14 2HE MET 14 12.281 -9.172 7.801
103 H ALA 15 H ALA 15 17.230 -8.515 2.729
104 HA ALA 15 HA ALA 15 14.896 -9.770 1.437
105 HB1 ALA 15 3HB ALA 15 15.547 -7.105 1.310
106 HB2 ALA 15 1HB ALA 15 16.249 -7.754 -0.173
107 HB3 ALA 15 2HB ALA 15 14.531 -7.975 0.160
108 H LYS 16 H LYS 16 18.334 -9.417 1.580
109 HA LYS 16 HA LYS 16 18.985 -10.554 -0.931
110 HB2 LYS 16 1HB LYS 16 20.389 -9.443 1.216
111 HB3 LYS 16 2HB LYS 16 20.951 -11.108 1.128
112 HG2 LYS 16 1HG LYS 16 21.572 -10.808 -1.193
113 HG3 LYS 16 2HG LYS 16 20.936 -9.162 -1.170
114 HD2 LYS 16 1HD LYS 16 23.249 -8.905 -0.885
115 HD3 LYS 16 2HD LYS 16 22.583 -8.744 0.741
116 HE2 LYS 16 1HE LYS 16 24.285 -10.199 1.174
117 HE3 LYS 16 2HE LYS 16 23.012 -11.353 0.783
118 HZ1 LYS 16 3HZ LYS 16 23.900 -11.229 -1.571
119 HZ2 LYS 16 1HZ LYS 16 24.865 -12.037 -0.440
120 HZ3 LYS 16 2HZ LYS 16 25.261 -10.464 -0.920
121 H GLY 17 H GLY 17 19.454 -12.644 -1.528
122 HA2 GLY 17 1HA GLY 17 19.839 -14.849 0.091
123 HA3 GLY 17 2HA GLY 17 18.098 -14.713 -0.111
Start of MODEL 17
1 HA SER 1 HA SER 1 14.193 9.694 11.691
2 HG SER 1 HG SER 1 11.788 10.370 11.407
3 H1 SER 1 1H SER 1 14.623 9.012 9.148
4 HB2 SER 1 1HB SER 1 12.511 9.192 9.703
5 HB3 SER 1 2HB SER 1 12.245 7.703 10.609
6 H ALA 2 H ALA 2 12.792 8.210 13.305
7 HA ALA 2 HA ALA 2 14.555 6.627 14.699
8 HB1 ALA 2 3HB ALA 2 11.843 7.360 14.936
9 HB2 ALA 2 1HB ALA 2 11.923 5.609 15.131
10 HB3 ALA 2 2HB ALA 2 12.893 6.657 16.167
11 H ALA 3 H ALA 3 12.454 5.738 12.045
12 HA ALA 3 HA ALA 3 13.579 3.014 12.137
13 HB1 ALA 3 3HB ALA 3 11.021 3.352 10.729
14 HB2 ALA 3 1HB ALA 3 11.569 2.064 11.802
15 HB3 ALA 3 2HB ALA 3 10.956 3.575 12.477
16 H GLU 4 H GLU 4 13.102 5.879 10.339
17 HA GLU 4 HA GLU 4 13.435 4.706 7.735
18 HB2 GLU 4 1HB GLU 4 13.479 7.552 8.733
19 HB3 GLU 4 2HB GLU 4 13.760 7.132 7.049
20 HG2 GLU 4 1HG GLU 4 11.471 5.825 7.414
21 HG3 GLU 4 2HG GLU 4 11.262 7.085 8.628
22 H ALA 5 H ALA 5 15.504 5.913 10.234
23 HA ALA 5 HA ALA 5 17.821 5.959 8.446
24 HB1 ALA 5 3HB ALA 5 18.367 7.696 9.722
25 HB2 ALA 5 1HB ALA 5 17.105 7.312 10.893
26 HB3 ALA 5 2HB ALA 5 18.691 6.549 11.023
27 H TYR 6 H TYR 6 16.192 3.745 10.271
28 HA TYR 6 HA TYR 6 18.642 2.200 10.815
29 HD1 TYR 6 HD1 TYR 6 15.090 0.173 11.890
30 HD2 TYR 6 HD2 TYR 6 18.989 0.612 13.535
31 HE1 TYR 6 HE1 TYR 6 15.059 -2.188 12.578
32 HE2 TYR 6 HE2 TYR 6 18.969 -1.748 14.227
33 HH TYR 6 HH TYR 6 17.099 -3.992 13.058
34 HB2 TYR 6 1HB TYR 6 17.693 2.549 12.924
35 HB3 TYR 6 2HB TYR 6 16.049 2.390 12.318
36 H ALA 7 H ALA 7 15.160 1.527 10.425
37 HA ALA 7 HA ALA 7 15.301 -1.040 9.503
38 HB1 ALA 7 3HB ALA 7 13.211 0.176 10.009
39 HB2 ALA 7 1HB ALA 7 13.374 1.043 8.482
40 HB3 ALA 7 2HB ALA 7 13.139 -0.705 8.483
41 H LYS 8 H LYS 8 16.339 1.800 7.884
42 HA LYS 8 HA LYS 8 16.087 1.303 5.220
43 HB2 LYS 8 1HB LYS 8 17.349 3.196 6.488
44 HB3 LYS 8 2HB LYS 8 18.756 2.159 6.294
45 HG2 LYS 8 1HG LYS 8 19.056 2.975 4.263
46 HG3 LYS 8 2HG LYS 8 17.491 2.319 3.777
47 HD2 LYS 8 1HD LYS 8 16.471 4.415 4.794
48 HD3 LYS 8 2HD LYS 8 18.114 5.058 4.855
49 HE2 LYS 8 1HE LYS 8 17.142 5.848 2.840
50 HE3 LYS 8 2HE LYS 8 18.279 4.577 2.393
51 HZ1 LYS 8 3HZ LYS 8 16.570 3.107 1.916
52 HZ2 LYS 8 1HZ LYS 8 15.973 4.574 1.322
53 HZ3 LYS 8 2HZ LYS 8 15.420 3.974 2.803
54 H ARG 9 H ARG 9 19.090 0.406 6.918
55 HA ARG 9 HA ARG 9 20.025 -1.336 4.961
56 HE ARG 9 HE ARG 9 19.333 1.500 8.320
57 HB2 ARG 9 1HB ARG 9 21.229 -2.389 7.075
58 HB3 ARG 9 2HB ARG 9 21.684 -0.811 6.447
59 HG2 ARG 9 1HG ARG 9 19.535 -0.655 8.394
60 HG3 ARG 9 2HG ARG 9 20.997 -1.397 9.045
61 HD2 ARG 9 1HD ARG 9 21.641 0.726 9.400
62 HD3 ARG 9 2HD ARG 9 22.042 0.701 7.683
63 HH11 ARG 9 2HH1 ARG 9 22.601 2.509 7.675
64 HH12 ARG 9 1HH1 ARG 9 22.152 4.119 7.217
65 HH21 ARG 9 2HH2 ARG 9 18.729 3.616 7.720
66 HH22 ARG 9 1HH2 ARG 9 19.949 4.747 7.244
67 H ILE 10 H ILE 10 18.567 -2.267 8.085
68 HA ILE 10 HA ILE 10 18.367 -4.922 7.914
69 HB ILE 10 HB ILE 10 15.819 -3.493 8.557
70 HG12 ILE 10 1HG1 ILE 10 17.382 -1.988 9.524
71 HG13 ILE 10 2HG1 ILE 10 16.846 -3.029 10.838
72 HG21 ILE 10 1HG2 ILE 10 15.931 -5.104 10.496
73 HG22 ILE 10 2HG2 ILE 10 15.757 -5.832 8.900
74 HG23 ILE 10 3HG2 ILE 10 17.328 -5.829 9.701
75 HD11 ILE 10 3HD1 ILE 10 18.867 -4.182 10.903
76 HD12 ILE 10 1HD1 ILE 10 19.347 -3.617 9.303
77 HD13 ILE 10 2HD1 ILE 10 19.332 -2.498 10.666
78 H ALA 11 H ALA 11 15.598 -3.008 6.745
79 HA ALA 11 HA ALA 11 14.155 -4.817 5.417
80 HB1 ALA 11 3HB ALA 11 13.232 -2.755 5.183
81 HB2 ALA 11 1HB ALA 11 14.776 -1.982 4.820
82 HB3 ALA 11 2HB ALA 11 13.940 -2.912 3.575
83 H GLU 12 H GLU 12 17.063 -3.283 4.063
84 HA GLU 12 HA GLU 12 17.006 -4.599 1.581
85 HB2 GLU 12 1HB GLU 12 18.902 -2.967 3.095
86 HB3 GLU 12 2HB GLU 12 19.687 -4.172 2.083
87 HG2 GLU 12 1HG GLU 12 17.980 -3.225 0.290
88 HG3 GLU 12 2HG GLU 12 18.089 -1.799 1.321
89 H ALA 13 H ALA 13 19.171 -5.274 4.338
90 HA ALA 13 HA ALA 13 20.261 -7.634 3.442
91 HB1 ALA 13 3HB ALA 13 19.894 -7.968 6.212
92 HB2 ALA 13 1HB ALA 13 21.326 -7.376 5.369
93 HB3 ALA 13 2HB ALA 13 20.101 -6.239 5.932
94 H MET 14 H MET 14 17.083 -7.071 4.755
95 HA MET 14 HA MET 14 16.537 -9.934 4.937
96 HB2 MET 14 1HB MET 14 14.845 -7.530 5.643
97 HB3 MET 14 2HB MET 14 14.341 -9.202 5.854
98 HG2 MET 14 1HG MET 14 16.838 -8.963 7.115
99 HG3 MET 14 2HG MET 14 15.901 -7.546 7.583
100 HE1 MET 14 3HE MET 14 14.730 -8.009 10.192
101 HE2 MET 14 1HE MET 14 15.426 -9.540 10.724
102 HE3 MET 14 2HE MET 14 16.416 -8.384 9.832
103 H ALA 15 H ALA 15 16.975 -8.473 2.369
104 HA ALA 15 HA ALA 15 14.432 -9.222 1.085
105 HB1 ALA 15 3HB ALA 15 14.367 -6.919 0.870
106 HB2 ALA 15 1HB ALA 15 16.114 -6.786 0.664
107 HB3 ALA 15 2HB ALA 15 15.116 -7.419 -0.646
108 H LYS 16 H LYS 16 17.924 -9.106 0.937
109 HA LYS 16 HA LYS 16 18.506 -9.907 -1.604
110 HB2 LYS 16 1HB LYS 16 20.539 -10.808 -0.781
111 HB3 LYS 16 2HB LYS 16 20.122 -9.486 0.301
112 HG2 LYS 16 1HG LYS 16 19.927 -10.837 2.069
113 HG3 LYS 16 2HG LYS 16 19.078 -12.081 1.148
114 HD2 LYS 16 1HD LYS 16 21.140 -13.028 1.859
115 HD3 LYS 16 2HD LYS 16 21.297 -12.693 0.133
116 HE2 LYS 16 1HE LYS 16 22.720 -10.894 0.483
117 HE3 LYS 16 2HE LYS 16 22.187 -10.670 2.149
118 HZ1 LYS 16 3HZ LYS 16 23.283 -13.214 1.988
119 HZ2 LYS 16 1HZ LYS 16 23.923 -11.864 2.782
120 HZ3 LYS 16 2HZ LYS 16 24.357 -12.187 1.180
121 H GLY 17 H GLY 17 19.191 -12.113 -2.374
122 HA2 GLY 17 1HA GLY 17 18.573 -14.232 -3.004
123 HA3 GLY 17 2HA GLY 17 18.267 -14.502 -1.295
Start of MODEL 18
1 HA SER 1 HA SER 1 15.826 10.281 10.646
2 HG SER 1 HG SER 1 13.743 12.728 10.949
3 H1 SER 1 1H SER 1 13.523 9.087 9.477
4 HB2 SER 1 1HB SER 1 13.031 10.757 10.638
5 HB3 SER 1 2HB SER 1 13.522 10.600 12.325
6 H ALA 2 H ALA 2 13.246 8.618 12.435
7 HA ALA 2 HA ALA 2 15.316 7.474 14.185
8 HB1 ALA 2 3HB ALA 2 13.589 9.007 15.180
9 HB2 ALA 2 1HB ALA 2 12.389 7.765 14.822
10 HB3 ALA 2 2HB ALA 2 13.713 7.418 15.935
11 H ALA 3 H ALA 3 12.844 6.701 11.931
12 HA ALA 3 HA ALA 3 13.242 3.840 12.500
13 HB1 ALA 3 3HB ALA 3 10.747 3.869 11.422
14 HB2 ALA 3 1HB ALA 3 11.095 3.813 13.150
15 HB3 ALA 3 2HB ALA 3 10.735 5.355 12.372
16 H GLU 4 H GLU 4 13.542 6.329 10.319
17 HA GLU 4 HA GLU 4 13.093 4.700 7.944
18 HB2 GLU 4 1HB GLU 4 14.101 7.543 8.090
19 HB3 GLU 4 2HB GLU 4 13.460 6.713 6.679
20 HG2 GLU 4 1HG GLU 4 11.532 6.646 8.792
21 HG3 GLU 4 2HG GLU 4 12.075 8.302 8.527
22 H ALA 5 H ALA 5 15.648 5.693 10.009
23 HA ALA 5 HA ALA 5 17.709 5.096 8.030
24 HB1 ALA 5 3HB ALA 5 19.155 5.637 10.184
25 HB2 ALA 5 1HB ALA 5 18.459 6.911 9.181
26 HB3 ALA 5 2HB ALA 5 17.661 6.432 10.679
27 H TYR 6 H TYR 6 16.049 3.625 10.656
28 HA TYR 6 HA TYR 6 18.091 1.617 11.118
29 HD1 TYR 6 HD2 TYR 6 17.868 -0.456 13.027
30 HD2 TYR 6 HD1 TYR 6 13.815 0.718 12.483
31 HE1 TYR 6 HE2 TYR 6 17.137 -2.731 13.610
32 HE2 TYR 6 HE1 TYR 6 13.072 -1.553 13.065
33 HH TYR 6 HH TYR 6 13.697 -3.555 13.832
34 HB2 TYR 6 1HB TYR 6 17.034 2.020 13.118
35 HB3 TYR 6 2HB TYR 6 15.478 2.331 12.358
36 H ALA 7 H ALA 7 14.606 1.294 10.450
37 HA ALA 7 HA ALA 7 14.536 -1.279 9.578
38 HB1 ALA 7 3HB ALA 7 12.619 -0.536 8.082
39 HB2 ALA 7 1HB ALA 7 12.487 -0.149 9.798
40 HB3 ALA 7 2HB ALA 7 12.957 1.101 8.644
41 H LYS 8 H LYS 8 15.343 1.565 7.618
42 HA LYS 8 HA LYS 8 15.480 0.707 5.100
43 HB2 LYS 8 1HB LYS 8 16.752 2.722 6.538
44 HB3 LYS 8 2HB LYS 8 18.072 1.842 5.780
45 HG2 LYS 8 1HG LYS 8 17.300 2.301 3.627
46 HG3 LYS 8 2HG LYS 8 15.690 2.740 4.200
47 HD2 LYS 8 1HD LYS 8 17.468 4.474 5.502
48 HD3 LYS 8 2HD LYS 8 18.010 4.399 3.824
49 HE2 LYS 8 1HE LYS 8 15.330 4.621 3.491
50 HE3 LYS 8 2HE LYS 8 15.555 5.540 4.979
51 HZ1 LYS 8 3HZ LYS 8 15.787 6.673 2.651
52 HZ2 LYS 8 1HZ LYS 8 17.361 6.057 2.729
53 HZ3 LYS 8 2HZ LYS 8 16.805 7.112 3.929
54 H ARG 9 H ARG 9 18.135 0.074 7.400
55 HA ARG 9 HA ARG 9 19.536 -1.669 5.671
56 HE ARG 9 HE ARG 9 24.070 0.071 6.566
57 HB2 ARG 9 1HB ARG 9 19.638 -1.130 8.624
58 HB3 ARG 9 2HB ARG 9 20.594 -2.426 7.918
59 HG2 ARG 9 1HG ARG 9 20.770 0.268 6.684
60 HG3 ARG 9 2HG ARG 9 21.563 0.003 8.239
61 HD2 ARG 9 1HD ARG 9 22.898 -1.755 7.344
62 HD3 ARG 9 2HD ARG 9 21.968 -1.779 5.847
63 HH11 ARG 9 2HH1 ARG 9 21.374 -0.601 4.469
64 HH12 ARG 9 1HH1 ARG 9 21.907 0.477 3.222
65 HH21 ARG 9 2HH2 ARG 9 24.783 1.494 4.932
66 HH22 ARG 9 1HH2 ARG 9 23.847 1.667 3.486
67 H ILE 10 H ILE 10 17.857 -2.513 8.705
68 HA ILE 10 HA ILE 10 17.829 -5.174 8.673
69 HB ILE 10 HB ILE 10 15.151 -3.892 9.028
70 HG12 ILE 10 1HG1 ILE 10 16.525 -2.229 10.022
71 HG13 ILE 10 2HG1 ILE 10 15.957 -3.234 11.352
72 HG21 ILE 10 1HG2 ILE 10 15.223 -6.212 9.503
73 HG22 ILE 10 2HG2 ILE 10 16.711 -6.045 10.434
74 HG23 ILE 10 3HG2 ILE 10 15.201 -5.383 11.060
75 HD11 ILE 10 3HD1 ILE 10 18.626 -2.618 10.568
76 HD12 ILE 10 1HD1 ILE 10 18.055 -3.505 11.981
77 HD13 ILE 10 2HD1 ILE 10 18.374 -4.361 10.472
78 H ALA 11 H ALA 11 15.048 -3.522 7.180
79 HA ALA 11 HA ALA 11 13.838 -5.495 5.854
80 HB1 ALA 11 3HB ALA 11 14.353 -2.670 5.077
81 HB2 ALA 11 1HB ALA 11 13.594 -3.745 3.903
82 HB3 ALA 11 2HB ALA 11 12.835 -3.475 5.473
83 H GLU 12 H GLU 12 16.738 -3.836 4.636
84 HA GLU 12 HA GLU 12 16.970 -5.290 2.243
85 HB2 GLU 12 1HB GLU 12 18.623 -3.443 3.792
86 HB3 GLU 12 2HB GLU 12 19.567 -4.644 2.921
87 HG2 GLU 12 1HG GLU 12 17.951 -3.927 0.946
88 HG3 GLU 12 2HG GLU 12 17.879 -2.440 1.891
89 H ALA 13 H ALA 13 18.942 -5.653 5.196
90 HA ALA 13 HA ALA 13 20.346 -7.893 4.620
91 HB1 ALA 13 3HB ALA 13 20.874 -7.928 6.799
92 HB2 ALA 13 1HB ALA 13 19.907 -6.456 6.887
93 HB3 ALA 13 2HB ALA 13 19.188 -8.011 7.309
94 H MET 14 H MET 14 16.936 -7.733 5.432
95 HA MET 14 HA MET 14 16.690 -10.629 5.477
96 HB2 MET 14 1HB MET 14 14.542 -8.515 5.710
97 HB3 MET 14 2HB MET 14 14.353 -10.231 6.043
98 HG2 MET 14 1HG MET 14 16.275 -9.805 7.761
99 HG3 MET 14 2HG MET 14 15.737 -8.132 7.634
100 HE1 MET 14 3HE MET 14 13.226 -7.798 7.271
101 HE2 MET 14 1HE MET 14 12.037 -9.065 7.571
102 HE3 MET 14 2HE MET 14 12.382 -7.867 8.819
103 H ALA 15 H ALA 15 17.553 -9.390 3.020
104 HA ALA 15 HA ALA 15 15.364 -10.299 1.281
105 HB1 ALA 15 3HB ALA 15 17.020 -7.810 0.903
106 HB2 ALA 15 1HB ALA 15 15.977 -8.507 -0.337
107 HB3 ALA 15 2HB ALA 15 15.280 -7.908 1.169
108 H LYS 16 H LYS 16 18.823 -9.562 1.544
109 HA LYS 16 HA LYS 16 19.702 -10.736 -0.817
110 HB2 LYS 16 1HB LYS 16 20.879 -9.711 1.568
111 HB3 LYS 16 2HB LYS 16 21.622 -11.267 1.223
112 HG2 LYS 16 1HG LYS 16 22.974 -10.142 -0.137
113 HG3 LYS 16 2HG LYS 16 21.597 -10.048 -1.237
114 HD2 LYS 16 1HD LYS 16 21.242 -7.855 -0.811
115 HD3 LYS 16 2HD LYS 16 21.684 -8.007 0.891
116 HE2 LYS 16 1HE LYS 16 23.334 -6.641 -0.136
117 HE3 LYS 16 2HE LYS 16 24.073 -8.216 0.146
118 HZ1 LYS 16 3HZ LYS 16 24.653 -7.494 -2.032
119 HZ2 LYS 16 1HZ LYS 16 23.042 -7.162 -2.429
120 HZ3 LYS 16 2HZ LYS 16 23.545 -8.761 -2.201
121 H GLY 17 H GLY 17 19.957 -12.775 -1.511
122 HA2 GLY 17 1HA GLY 17 20.580 -15.077 -1.068
123 HA3 GLY 17 2HA GLY 17 19.746 -14.948 0.473
Start of MODEL 19
1 HA SER 1 HA SER 1 14.479 10.493 11.920
2 HG SER 1 HG SER 1 12.403 11.327 11.583
3 H1 SER 1 1H SER 1 13.629 9.867 9.285
4 HB2 SER 1 1HB SER 1 12.205 9.035 10.688
5 HB3 SER 1 2HB SER 1 12.583 8.635 12.364
6 H ALA 2 H ALA 2 14.403 8.607 13.616
7 HA ALA 2 HA ALA 2 16.676 6.955 13.056
8 HB1 ALA 2 3HB ALA 2 14.993 7.543 15.421
9 HB2 ALA 2 1HB ALA 2 15.882 6.019 15.419
10 HB3 ALA 2 2HB ALA 2 16.748 7.547 15.247
11 H ALA 3 H ALA 3 13.299 6.591 12.723
12 HA ALA 3 HA ALA 3 13.437 3.670 12.774
13 HB1 ALA 3 3HB ALA 3 11.231 3.661 13.214
14 HB2 ALA 3 1HB ALA 3 11.509 5.342 13.670
15 HB3 ALA 3 2HB ALA 3 10.889 4.954 12.065
16 H GLU 4 H GLU 4 13.634 6.246 10.580
17 HA GLU 4 HA GLU 4 12.710 4.647 8.315
18 HB2 GLU 4 1HB GLU 4 12.492 6.598 7.128
19 HB3 GLU 4 2HB GLU 4 12.259 7.209 8.760
20 HG2 GLU 4 1HG GLU 4 14.530 7.986 8.852
21 HG3 GLU 4 2HG GLU 4 14.883 7.249 7.290
22 H ALA 5 H ALA 5 15.595 5.599 9.902
23 HA ALA 5 HA ALA 5 17.272 5.029 7.583
24 HB1 ALA 5 3HB ALA 5 17.536 6.709 9.819
25 HB2 ALA 5 1HB ALA 5 18.775 5.464 9.982
26 HB3 ALA 5 2HB ALA 5 18.699 6.447 8.519
27 H TYR 6 H TYR 6 16.261 3.608 10.600
28 HA TYR 6 HA TYR 6 18.271 1.548 10.587
29 HD1 TYR 6 HD2 TYR 6 18.406 -0.510 12.620
30 HD2 TYR 6 HD1 TYR 6 14.300 0.606 12.563
31 HE1 TYR 6 HE2 TYR 6 17.783 -2.789 13.301
32 HE2 TYR 6 HE1 TYR 6 13.666 -1.671 13.244
33 HH TYR 6 HH TYR 6 16.081 -4.063 14.130
34 HB2 TYR 6 1HB TYR 6 17.602 1.929 12.751
35 HB3 TYR 6 2HB TYR 6 15.933 2.253 12.293
36 H ALA 7 H ALA 7 14.722 1.235 10.576
37 HA ALA 7 HA ALA 7 14.444 -1.314 9.727
38 HB1 ALA 7 3HB ALA 7 12.466 -0.068 8.271
39 HB2 ALA 7 1HB ALA 7 12.355 -0.569 9.959
40 HB3 ALA 7 2HB ALA 7 12.812 1.087 9.558
41 H LYS 8 H LYS 8 15.053 1.483 7.638
42 HA LYS 8 HA LYS 8 14.773 0.512 5.138
43 HB2 LYS 8 1HB LYS 8 15.794 2.756 5.985
44 HB3 LYS 8 2HB LYS 8 17.334 1.922 5.816
45 HG2 LYS 8 1HG LYS 8 16.868 1.522 3.457
46 HG3 LYS 8 2HG LYS 8 15.313 2.341 3.622
47 HD2 LYS 8 1HD LYS 8 17.426 4.001 4.644
48 HD3 LYS 8 2HD LYS 8 17.799 3.486 2.997
49 HE2 LYS 8 1HE LYS 8 15.087 4.548 3.702
50 HE3 LYS 8 2HE LYS 8 16.423 5.646 3.357
51 HZ1 LYS 8 3HZ LYS 8 16.115 5.327 1.203
52 HZ2 LYS 8 1HZ LYS 8 14.775 4.348 1.535
53 HZ3 LYS 8 2HZ LYS 8 16.309 3.654 1.369
54 H ARG 9 H ARG 9 17.814 0.159 6.977
55 HA ARG 9 HA ARG 9 19.085 -1.549 5.174
56 HE ARG 9 HE ARG 9 21.326 1.842 6.258
57 HB2 ARG 9 1HB ARG 9 19.620 -1.945 8.068
58 HB3 ARG 9 2HB ARG 9 20.745 -1.721 6.735
59 HG2 ARG 9 1HG ARG 9 19.619 0.714 6.788
60 HG3 ARG 9 2HG ARG 9 19.460 0.266 8.488
61 HD2 ARG 9 1HD ARG 9 21.622 0.638 8.845
62 HD3 ARG 9 2HD ARG 9 22.070 -0.436 7.520
63 HH11 ARG 9 2HH1 ARG 9 23.556 1.141 8.838
64 HH12 ARG 9 1HH1 ARG 9 24.626 2.445 8.443
65 HH21 ARG 9 2HH2 ARG 9 22.727 3.562 5.728
66 HH22 ARG 9 1HH2 ARG 9 24.153 3.822 6.674
67 H ILE 10 H ILE 10 17.559 -2.479 8.266
68 HA ILE 10 HA ILE 10 17.681 -5.135 8.270
69 HB ILE 10 HB ILE 10 14.933 -4.010 8.621
70 HG12 ILE 10 1HG1 ILE 10 16.215 -2.251 9.576
71 HG13 ILE 10 2HG1 ILE 10 15.704 -3.260 10.925
72 HG21 ILE 10 1HG2 ILE 10 15.156 -6.316 9.131
73 HG22 ILE 10 2HG2 ILE 10 16.628 -6.036 10.060
74 HG23 ILE 10 3HG2 ILE 10 15.078 -5.463 10.672
75 HD11 ILE 10 3HD1 ILE 10 18.112 -2.422 10.890
76 HD12 ILE 10 1HD1 ILE 10 17.840 -4.130 11.234
77 HD13 ILE 10 2HD1 ILE 10 18.376 -3.628 9.630
78 H ALA 11 H ALA 11 14.802 -3.669 6.768
79 HA ALA 11 HA ALA 11 13.756 -5.777 5.462
80 HB1 ALA 11 3HB ALA 11 13.893 -2.891 4.803
81 HB2 ALA 11 1HB ALA 11 13.316 -3.986 3.546
82 HB3 ALA 11 2HB ALA 11 12.494 -3.921 5.106
83 H GLU 12 H GLU 12 16.569 -3.922 4.409
84 HA GLU 12 HA GLU 12 16.849 -5.325 1.928
85 HB2 GLU 12 1HB GLU 12 18.305 -3.216 3.386
86 HB3 GLU 12 2HB GLU 12 19.307 -4.241 2.369
87 HG2 GLU 12 1HG GLU 12 17.386 -3.735 0.615
88 HG3 GLU 12 2HG GLU 12 17.204 -2.298 1.620
89 H ALA 13 H ALA 13 18.938 -5.238 4.822
90 HA ALA 13 HA ALA 13 20.514 -7.439 4.116
91 HB1 ALA 13 3HB ALA 13 19.952 -6.017 6.677
92 HB2 ALA 13 1HB ALA 13 20.854 -7.533 6.707
93 HB3 ALA 13 2HB ALA 13 21.461 -6.163 5.776
94 H MET 14 H MET 14 17.277 -7.347 5.041
95 HA MET 14 HA MET 14 17.326 -10.116 6.020
96 HB2 MET 14 1HB MET 14 15.411 -9.696 7.205
97 HB3 MET 14 2HB MET 14 16.107 -8.081 7.194
98 HG2 MET 14 1HG MET 14 14.695 -7.516 5.258
99 HG3 MET 14 2HG MET 14 13.961 -9.115 5.356
100 HE1 MET 14 3HE MET 14 11.882 -7.483 5.177
101 HE2 MET 14 1HE MET 14 11.381 -8.851 6.171
102 HE3 MET 14 2HE MET 14 10.951 -7.209 6.650
103 H ALA 15 H ALA 15 17.256 -8.739 3.163
104 HA ALA 15 HA ALA 15 15.124 -10.471 2.092
105 HB1 ALA 15 3HB ALA 15 15.417 -8.875 0.048
106 HB2 ALA 15 1HB ALA 15 14.466 -8.364 1.442
107 HB3 ALA 15 2HB ALA 15 16.122 -7.789 1.245
108 H LYS 16 H LYS 16 18.360 -9.172 1.384
109 HA LYS 16 HA LYS 16 19.133 -10.423 -0.845
110 HB2 LYS 16 1HB LYS 16 20.466 -9.358 1.382
111 HB3 LYS 16 2HB LYS 16 21.163 -10.955 1.144
112 HG2 LYS 16 1HG LYS 16 20.948 -9.695 -1.392
113 HG3 LYS 16 2HG LYS 16 21.705 -8.565 -0.266
114 HD2 LYS 16 1HD LYS 16 23.167 -10.588 0.413
115 HD3 LYS 16 2HD LYS 16 22.620 -11.292 -1.110
116 HE2 LYS 16 1HE LYS 16 23.644 -9.623 -2.384
117 HE3 LYS 16 2HE LYS 16 23.786 -8.532 -1.007
118 HZ1 LYS 16 3HZ LYS 16 25.922 -9.319 -1.254
119 HZ2 LYS 16 1HZ LYS 16 25.429 -10.879 -1.685
120 HZ3 LYS 16 2HZ LYS 16 25.313 -10.370 -0.076
121 H GLY 17 H GLY 17 19.314 -12.026 2.342
122 HA2 GLY 17 1HA GLY 17 18.208 -14.442 1.655
123 HA3 GLY 17 2HA GLY 17 19.896 -14.581 1.185
Start of MODEL 20
1 HA SER 1 HA SER 1 12.530 9.956 11.612
2 HG SER 1 HG SER 1 10.376 9.526 12.502
3 H1 SER 1 1H SER 1 13.187 9.095 8.921
4 HB2 SER 1 1HB SER 1 10.751 8.262 9.991
5 HB3 SER 1 2HB SER 1 11.129 7.604 11.583
6 H ALA 2 H ALA 2 12.849 8.054 13.177
7 HA ALA 2 HA ALA 2 15.467 7.079 12.874
8 HB1 ALA 2 3HB ALA 2 13.619 7.254 14.939
9 HB2 ALA 2 1HB ALA 2 13.917 5.525 14.755
10 HB3 ALA 2 2HB ALA 2 15.264 6.626 15.042
11 H ALA 3 H ALA 3 12.322 5.467 12.538
12 HA ALA 3 HA ALA 3 13.384 2.903 11.959
13 HB1 ALA 3 3HB ALA 3 11.251 2.445 12.383
14 HB2 ALA 3 1HB ALA 3 10.778 4.127 12.140
15 HB3 ALA 3 2HB ALA 3 10.873 3.029 10.763
16 H GLU 4 H GLU 4 13.115 5.756 10.112
17 HA GLU 4 HA GLU 4 13.117 4.378 7.551
18 HB2 GLU 4 1HB GLU 4 13.231 7.310 8.271
19 HB3 GLU 4 2HB GLU 4 13.249 6.704 6.621
20 HG2 GLU 4 1HG GLU 4 11.052 5.522 7.973
21 HG3 GLU 4 2HG GLU 4 11.025 7.257 8.279
22 H ALA 5 H ALA 5 15.352 5.718 9.800
23 HA ALA 5 HA ALA 5 17.511 5.796 7.831
24 HB1 ALA 5 3HB ALA 5 17.141 7.609 9.583
25 HB2 ALA 5 1HB ALA 5 17.769 6.446 10.751
26 HB3 ALA 5 2HB ALA 5 18.780 6.982 9.409
27 H TYR 6 H TYR 6 16.333 3.898 10.500
28 HA TYR 6 HA TYR 6 18.769 2.310 10.632
29 HD1 TYR 6 HD2 TYR 6 19.273 0.628 13.206
30 HD2 TYR 6 HD1 TYR 6 15.221 0.260 11.960
31 HE1 TYR 6 HE2 TYR 6 19.282 -1.734 13.891
32 HE2 TYR 6 HE1 TYR 6 15.219 -2.102 12.643
33 HH TYR 6 HH TYR 6 18.085 -3.789 13.436
34 HB2 TYR 6 1HB TYR 6 17.910 2.600 12.772
35 HB3 TYR 6 2HB TYR 6 16.241 2.443 12.235
36 H ALA 7 H ALA 7 15.327 1.402 10.438
37 HA ALA 7 HA ALA 7 15.504 -1.142 9.567
38 HB1 ALA 7 3HB ALA 7 13.345 -0.924 8.586
39 HB2 ALA 7 1HB ALA 7 13.403 0.159 9.977
40 HB3 ALA 7 2HB ALA 7 13.563 0.809 8.345
41 H LYS 8 H LYS 8 16.389 1.677 7.768
42 HA LYS 8 HA LYS 8 16.227 1.066 5.157
43 HB2 LYS 8 1HB LYS 8 17.497 2.991 6.354
44 HB3 LYS 8 2HB LYS 8 18.895 1.932 6.231
45 HG2 LYS 8 1HG LYS 8 19.232 2.581 4.146
46 HG3 LYS 8 2HG LYS 8 17.614 2.043 3.691
47 HD2 LYS 8 1HD LYS 8 17.839 4.623 5.139
48 HD3 LYS 8 2HD LYS 8 18.395 4.581 3.464
49 HE2 LYS 8 1HE LYS 8 15.779 3.322 4.026
50 HE3 LYS 8 2HE LYS 8 15.853 5.077 4.166
51 HZ1 LYS 8 3HZ LYS 8 15.764 5.227 1.974
52 HZ2 LYS 8 1HZ LYS 8 15.668 3.543 1.842
53 HZ3 LYS 8 2HZ LYS 8 17.176 4.309 1.817
54 H ARG 9 H ARG 9 19.103 0.091 7.034
55 HA ARG 9 HA ARG 9 20.089 -1.687 5.106
56 HE ARG 9 HE ARG 9 22.667 -0.004 9.605
57 HB2 ARG 9 1HB ARG 9 21.155 -2.717 7.342
58 HB3 ARG 9 2HB ARG 9 21.739 -1.233 6.600
59 HG2 ARG 9 1HG ARG 9 19.551 -0.945 8.560
60 HG3 ARG 9 2HG ARG 9 21.122 -1.441 9.192
61 HD2 ARG 9 1HD ARG 9 21.196 0.771 7.258
62 HD3 ARG 9 2HD ARG 9 20.368 1.133 8.772
63 HH11 ARG 9 2HH1 ARG 9 21.970 2.577 7.376
64 HH12 ARG 9 1HH1 ARG 9 23.449 3.423 7.689
65 HH21 ARG 9 2HH2 ARG 9 24.618 1.100 10.026
66 HH22 ARG 9 1HH2 ARG 9 24.955 2.581 9.196
67 H ILE 10 H ILE 10 18.627 -2.574 8.240
68 HA ILE 10 HA ILE 10 18.340 -5.216 8.057
69 HB ILE 10 HB ILE 10 15.845 -3.723 8.753
70 HG12 ILE 10 1HG1 ILE 10 17.457 -2.259 9.697
71 HG13 ILE 10 2HG1 ILE 10 16.928 -3.296 11.017
72 HG21 ILE 10 1HG2 ILE 10 15.944 -5.342 10.682
73 HG22 ILE 10 2HG2 ILE 10 15.737 -6.065 9.087
74 HG23 ILE 10 3HG2 ILE 10 17.317 -6.096 9.871
75 HD11 ILE 10 3HD1 ILE 10 19.140 -4.555 9.806
76 HD12 ILE 10 1HD1 ILE 10 19.554 -2.855 10.030
77 HD13 ILE 10 2HD1 ILE 10 19.034 -3.825 11.408
78 H ALA 11 H ALA 11 15.608 -3.216 6.947
79 HA ALA 11 HA ALA 11 14.118 -5.013 5.622
80 HB1 ALA 11 3HB ALA 11 13.775 -3.081 3.872
81 HB2 ALA 11 1HB ALA 11 13.215 -2.911 5.536
82 HB3 ALA 11 2HB ALA 11 14.730 -2.160 5.033
83 H GLU 12 H GLU 12 17.097 -3.564 4.387
84 HA GLU 12 HA GLU 12 16.926 -4.852 1.836
85 HB2 GLU 12 1HB GLU 12 18.823 -3.077 3.229
86 HB3 GLU 12 2HB GLU 12 19.555 -4.186 2.078
87 HG2 GLU 12 1HG GLU 12 17.588 -3.293 0.543
88 HG3 GLU 12 2HG GLU 12 17.727 -1.903 1.619
89 H ALA 13 H ALA 13 19.264 -5.247 4.505
90 HA ALA 13 HA ALA 13 20.389 -7.629 3.556
91 HB1 ALA 13 3HB ALA 13 21.719 -6.680 5.145
92 HB2 ALA 13 1HB ALA 13 20.358 -6.209 6.164
93 HB3 ALA 13 2HB ALA 13 20.903 -7.887 6.140
94 H MET 14 H MET 14 17.307 -7.090 4.760
95 HA MET 14 HA MET 14 17.009 -9.878 5.646
96 HB2 MET 14 1HB MET 14 15.317 -9.230 7.049
97 HB3 MET 14 2HB MET 14 16.264 -7.749 7.029
98 HG2 MET 14 1HG MET 14 14.775 -6.857 5.280
99 HG3 MET 14 2HG MET 14 13.800 -8.320 5.401
100 HE1 MET 14 3HE MET 14 11.391 -6.050 6.601
101 HE2 MET 14 1HE MET 14 11.862 -7.468 5.662
102 HE3 MET 14 2HE MET 14 11.248 -7.662 7.304
103 H ALA 15 H ALA 15 16.877 -8.348 2.872
104 HA ALA 15 HA ALA 15 14.372 -9.615 1.975
105 HB1 ALA 15 3HB ALA 15 15.638 -7.057 1.337
106 HB2 ALA 15 1HB ALA 15 15.097 -7.964 -0.076
107 HB3 ALA 15 2HB ALA 15 13.952 -7.556 1.202
108 H LYS 16 H LYS 16 17.789 -9.140 1.224
109 HA LYS 16 HA LYS 16 17.885 -10.592 -1.170
110 HB2 LYS 16 1HB LYS 16 19.701 -9.123 -0.299
111 HB3 LYS 16 2HB LYS 16 20.070 -10.350 0.905
112 HG2 LYS 16 1HG LYS 16 20.795 -11.883 -0.742
113 HG3 LYS 16 2HG LYS 16 20.139 -10.894 -2.049
114 HD2 LYS 16 1HD LYS 16 22.511 -10.583 -2.005
115 HD3 LYS 16 2HD LYS 16 21.758 -9.104 -1.404
116 HE2 LYS 16 1HE LYS 16 22.628 -11.252 0.492
117 HE3 LYS 16 2HE LYS 16 23.797 -10.098 -0.147
118 HZ1 LYS 16 3HZ LYS 16 21.683 -8.566 0.673
119 HZ2 LYS 16 1HZ LYS 16 23.153 -8.763 1.487
120 HZ3 LYS 16 2HZ LYS 16 21.829 -9.738 1.884
121 H GLY 17 H GLY 17 18.473 -11.650 2.178
122 HA2 GLY 17 1HA GLY 17 17.867 -14.397 1.302
123 HA3 GLY 17 2HA GLY 17 19.294 -14.080 2.277
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