Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
544441 | 2lix RC | 17908 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 28.138 17.969 22.543
2 H2 ALA 1 H2 ALA 1 29.090 16.714 22.106
3 H3 ALA 1 H3 ALA 1 27.518 16.707 21.619
4 HA ALA 1 HA ALA 1 29.722 18.398 20.758
5 HB1 ALA 1 HB1 ALA 1 29.502 16.147 19.678
6 HB2 ALA 1 HB2 ALA 1 27.935 16.685 19.009
7 HB3 ALA 1 HB3 ALA 1 29.429 17.525 18.565
8 H CYS 2 H CYS 2 26.414 18.674 21.579
9 HA CYS 2 HA CYS 2 25.919 20.783 19.584
10 HB2 CYS 2 HB2 CYS 2 23.917 20.259 21.672
11 HB3 CYS 2 HB3 CYS 2 23.751 20.347 19.941
12 H VAL 3 H VAL 3 25.178 22.886 20.304
13 HA VAL 3 HA VAL 3 26.161 23.680 23.036
14 HB VAL 3 HB VAL 3 26.233 25.376 20.524
15 H THR 4 H THR 4 23.585 24.077 20.616
16 HA THR 4 HA THR 4 21.661 24.763 22.671
17 HB THR 4 HB THR 4 21.396 26.888 20.724
18 HG1 THR 4 HG1 THR 4 23.628 26.761 20.471
19 H HIS 5 H HIS 5 19.527 25.456 21.493
20 HA HIS 5 HA HIS 5 18.712 23.467 19.689
21 HB2 HIS 5 HB2 HIS 5 16.677 24.719 19.449
22 HB3 HIS 5 HB3 HIS 5 17.200 24.804 21.125
23 HD2 HIS 5 HD2 HIS 5 18.353 27.290 21.883
24 HE1 HIS 5 HE1 HIS 5 16.487 29.492 18.751
25 HE2 HIS 5 HE2 HIS 5 17.791 29.687 20.922
26 H GLU 6 H GLU 6 19.677 26.810 18.883
27 HA GLU 6 HA GLU 6 19.397 26.860 16.131
28 HB2 GLU 6 HB2 GLU 6 20.126 28.726 17.582
29 HB3 GLU 6 HB3 GLU 6 21.632 27.898 17.922
30 HG2 GLU 6 HG2 GLU 6 22.084 28.082 15.348
31 HG3 GLU 6 HG3 GLU 6 20.751 29.241 15.346
32 H ASP 7 H ASP 7 22.022 25.365 18.034
33 HA ASP 7 HA ASP 7 23.715 24.782 15.782
34 HB2 ASP 7 HB2 ASP 7 23.747 23.581 18.580
35 HB3 ASP 7 HB3 ASP 7 25.034 23.491 17.378
36 H CYS 8 H CYS 8 20.801 23.443 16.723
37 HA CYS 8 HA CYS 8 21.200 21.095 14.959
38 HB2 CYS 8 HB2 CYS 8 19.666 21.047 17.570
39 HB3 CYS 8 HB3 CYS 8 20.084 19.707 16.521
40 H THR 9 H THR 9 19.853 23.872 14.697
41 HA THR 9 HA THR 9 17.119 23.824 14.807
42 HB THR 9 HB THR 9 18.756 24.862 12.443
43 HG1 THR 9 HG1 THR 9 18.766 26.748 13.594
44 H LEU 10 H LEU 10 19.064 21.991 12.527
45 HA LEU 10 HA LEU 10 17.069 21.348 10.614
46 HB2 LEU 10 HB2 LEU 10 19.488 21.064 10.351
47 HB3 LEU 10 HB3 LEU 10 19.513 19.761 11.534
48 HG LEU 10 HG LEU 10 17.687 19.472 9.136
49 H LEU 11 H LEU 11 17.519 20.179 13.866
50 HA LEU 11 HA LEU 11 15.922 17.754 13.538
51 HB2 LEU 11 HB2 LEU 11 16.715 19.256 16.067
52 HB3 LEU 11 HB3 LEU 11 16.165 17.590 15.956
53 HG LEU 11 HG LEU 11 18.824 18.729 14.980
54 H CYS 12 H CYS 12 13.780 17.585 13.850
55 HA CYS 12 HA CYS 12 11.928 19.584 13.655
56 HB2 CYS 12 HB2 CYS 12 10.380 17.937 14.717
57 HB3 CYS 12 HB3 CYS 12 11.368 17.245 13.445
58 H TYR 13 H TYR 13 12.955 18.154 16.779
59 HA TYR 13 HA TYR 13 13.027 20.715 18.074
60 HB2 TYR 13 HB2 TYR 13 10.497 19.674 18.017
61 HB3 TYR 13 HB3 TYR 13 11.051 18.964 19.504
62 HD1 TYR 13 HD2 TYR 13 12.917 21.462 20.279
63 HD2 TYR 13 HD1 TYR 13 8.825 21.054 18.956
64 HE1 TYR 13 HE2 TYR 13 12.392 23.715 21.187
65 HE2 TYR 13 HE1 TYR 13 8.287 23.268 19.976
66 HH TYR 13 HH TYR 13 10.766 25.342 21.488
67 H ASP 14 H ASP 14 14.959 18.923 17.593
68 HA ASP 14 HA ASP 14 16.384 17.347 18.291
69 HB2 ASP 14 HB2 ASP 14 17.856 18.041 19.781
70 HB3 ASP 14 HB3 ASP 14 16.975 19.541 19.520
71 H THR 15 H THR 15 17.044 16.203 20.787
72 HA THR 15 HA THR 15 15.170 13.926 20.474
73 HB THR 15 HB THR 15 17.420 13.724 22.440
74 HG1 THR 15 HG1 THR 15 17.767 14.033 19.696
75 H ILE 16 H ILE 16 16.528 16.004 23.052
76 HA ILE 16 HA ILE 16 14.270 15.120 24.831
77 HB ILE 16 HB ILE 16 17.134 15.719 25.652
78 H GLY 17 H GLY 17 16.527 17.778 24.061
79 HA2 GLY 17 HA2 GLY 17 14.593 19.718 24.279
80 HA3 GLY 17 HA3 GLY 17 15.385 19.738 25.864
81 H THR 18 H THR 18 17.829 18.887 23.960
82 HA THR 18 HA THR 18 18.367 21.073 22.374
83 HB THR 18 HB THR 18 19.569 21.372 25.116
84 HG1 THR 18 HG1 THR 18 17.836 22.603 24.087
85 H CYS 19 H CYS 19 19.714 18.388 24.274
86 HA CYS 19 HA CYS 19 21.095 17.267 21.967
87 HB2 CYS 19 HB2 CYS 19 22.506 19.267 22.868
88 HB3 CYS 19 HB3 CYS 19 22.675 18.358 24.352
89 H VAL 20 H VAL 20 21.768 15.055 22.521
90 HA VAL 20 HA VAL 20 21.816 14.349 25.386
91 HB VAL 20 HB VAL 20 19.468 13.943 24.466
92 H ASP 21 H ASP 21 23.096 12.436 25.795
93 HA ASP 21 HA ASP 21 25.150 11.438 25.520
94 HB2 ASP 21 HB2 ASP 21 23.720 10.515 23.004
95 HB3 ASP 21 HB3 ASP 21 25.113 9.736 23.739
96 H GLY 22 H GLY 22 25.211 14.173 24.465
97 HA2 GLY 22 HA2 GLY 22 26.676 15.528 23.311
98 HA3 GLY 22 HA3 GLY 22 27.734 14.120 23.086
99 H LYS 23 H LYS 23 24.529 13.663 21.861
100 HA LYS 23 HA LYS 23 25.382 14.287 19.072
101 HB2 LYS 23 HB2 LYS 23 25.506 11.836 20.105
102 HB3 LYS 23 HB3 LYS 23 23.772 11.840 19.837
103 HG2 LYS 23 HG2 LYS 23 24.146 12.192 17.399
104 HG3 LYS 23 HG3 LYS 23 25.900 12.312 17.695
105 HD2 LYS 23 HD2 LYS 23 25.900 9.979 18.618
106 HD3 LYS 23 HD3 LYS 23 24.179 9.893 18.327
107 HE2 LYS 23 HE2 LYS 23 25.120 8.669 16.585
108 HE3 LYS 23 HE3 LYS 23 24.640 10.211 15.843
109 HZ1 LYS 23 HZ1 LYS 23 27.005 10.869 15.964
110 HZ2 LYS 23 HZ2 LYS 23 26.849 9.444 15.139
111 HZ3 LYS 23 HZ3 LYS 23 27.418 9.471 16.664
112 H CYS 24 H CYS 24 23.917 15.374 17.898
113 HA CYS 24 HA CYS 24 21.304 16.001 19.173
114 HB2 CYS 24 HB2 CYS 24 23.253 17.547 17.825
115 HB3 CYS 24 HB3 CYS 24 21.883 17.471 16.735
116 H LYS 25 H LYS 25 19.607 14.818 18.614
117 HA LYS 25 HA LYS 25 19.186 14.051 15.754
118 HB2 LYS 25 HB2 LYS 25 20.382 12.238 17.169
119 HB3 LYS 25 HB3 LYS 25 18.879 12.096 18.078
120 HG2 LYS 25 HG2 LYS 25 17.719 11.552 15.857
121 HG3 LYS 25 HG3 LYS 25 19.329 11.565 15.108
122 HD2 LYS 25 HD2 LYS 25 19.998 9.822 16.905
123 HD3 LYS 25 HD3 LYS 25 18.268 9.698 17.272
124 HE2 LYS 25 HE2 LYS 25 17.877 9.122 14.827
125 HE3 LYS 25 HE3 LYS 25 19.634 9.140 14.600
126 HZ1 LYS 25 HZ1 LYS 25 19.027 6.881 15.031
127 HZ2 LYS 25 HZ2 LYS 25 18.053 7.269 16.269
128 HZ3 LYS 25 HZ3 LYS 25 19.649 7.400 16.480
129 H CYS 26 H CYS 26 17.055 14.219 15.153
130 HA CYS 26 HA CYS 26 15.069 15.344 17.002
131 HB2 CYS 26 HB2 CYS 26 15.009 16.163 14.773
132 HB3 CYS 26 HB3 CYS 26 15.249 14.569 14.087
133 H MET 27 H MET 27 13.548 14.246 18.121
134 HA MET 27 HA MET 27 13.445 11.470 18.443
135 HB2 MET 27 HB2 MET 27 11.225 11.836 19.462
136 HB3 MET 27 HB3 MET 27 12.473 12.941 20.038
137 HG2 MET 27 HG2 MET 27 11.596 14.718 18.550
138 HG3 MET 27 HG3 MET 27 10.313 13.625 18.010
139 HE1 MET 27 HE1 MET 27 10.077 16.628 19.306
140 HE2 MET 27 HE2 MET 27 8.715 15.703 18.625
141 HE3 MET 27 HE3 MET 27 8.588 16.405 20.256
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 28.871 17.897 21.247
2 H2 ALA 1 H2 ALA 1 29.738 16.611 20.794
3 H3 ALA 1 H3 ALA 1 28.237 16.803 20.143
4 HA ALA 1 HA ALA 1 30.623 18.433 19.716
5 HB1 ALA 1 HB1 ALA 1 30.737 17.640 17.498
6 HB2 ALA 1 HB2 ALA 1 30.522 16.198 18.504
7 HB3 ALA 1 HB3 ALA 1 29.153 16.869 17.580
8 H CYS 2 H CYS 2 27.176 18.538 19.813
9 HA CYS 2 HA CYS 2 26.840 20.598 17.835
10 HB2 CYS 2 HB2 CYS 2 24.855 19.823 19.966
11 HB3 CYS 2 HB3 CYS 2 24.578 20.150 18.256
12 H VAL 3 H VAL 3 27.329 22.757 18.215
13 HA VAL 3 HA VAL 3 27.898 23.697 20.923
14 HB VAL 3 HB VAL 3 27.676 25.320 18.356
15 H THR 4 H THR 4 25.171 23.872 18.680
16 HA THR 4 HA THR 4 23.344 24.659 20.828
17 HB THR 4 HB THR 4 22.639 26.609 18.953
18 HG1 THR 4 HG1 THR 4 25.410 26.741 19.244
19 H HIS 5 H HIS 5 21.115 25.201 19.730
20 HA HIS 5 HA HIS 5 20.225 22.962 18.187
21 HB2 HIS 5 HB2 HIS 5 18.105 24.170 18.139
22 HB3 HIS 5 HB3 HIS 5 18.799 24.225 19.753
23 HD2 HIS 5 HD2 HIS 5 20.092 26.737 20.376
24 HE1 HIS 5 HE1 HIS 5 17.847 28.959 17.525
25 HE2 HIS 5 HE2 HIS 5 19.468 29.133 19.473
26 H GLU 6 H GLU 6 20.811 26.364 17.225
27 HA GLU 6 HA GLU 6 20.104 26.211 14.585
28 HB2 GLU 6 HB2 GLU 6 20.615 28.244 15.731
29 HB3 GLU 6 HB3 GLU 6 22.298 27.817 15.933
30 HG2 GLU 6 HG2 GLU 6 21.123 28.056 13.136
31 HG3 GLU 6 HG3 GLU 6 21.438 29.516 14.060
32 H ASP 7 H ASP 7 23.048 24.907 16.055
33 HA ASP 7 HA ASP 7 24.678 24.518 13.753
34 HB2 ASP 7 HB2 ASP 7 24.418 22.726 16.211
35 HB3 ASP 7 HB3 ASP 7 25.612 22.539 14.956
36 H CYS 8 H CYS 8 21.777 22.936 14.794
37 HA CYS 8 HA CYS 8 21.987 21.007 12.539
38 HB2 CYS 8 HB2 CYS 8 20.865 20.423 15.289
39 HB3 CYS 8 HB3 CYS 8 21.144 19.297 13.953
40 H THR 9 H THR 9 20.637 23.664 12.786
41 HA THR 9 HA THR 9 17.914 23.680 13.126
42 HB THR 9 HB THR 9 19.329 24.807 10.671
43 HG1 THR 9 HG1 THR 9 20.297 25.688 12.432
44 H LEU 10 H LEU 10 19.603 21.994 10.553
45 HA LEU 10 HA LEU 10 17.429 21.479 8.804
46 HB2 LEU 10 HB2 LEU 10 18.796 19.591 8.005
47 HB3 LEU 10 HB3 LEU 10 19.660 21.108 8.026
48 HG LEU 10 HG LEU 10 20.004 19.350 10.450
49 H LEU 11 H LEU 11 18.123 20.090 11.916
50 HA LEU 11 HA LEU 11 16.470 17.696 11.515
51 HB2 LEU 11 HB2 LEU 11 17.718 18.968 13.997
52 HB3 LEU 11 HB3 LEU 11 16.937 17.400 13.948
53 HG LEU 11 HG LEU 11 19.508 18.193 12.479
54 H CYS 12 H CYS 12 14.416 17.454 12.205
55 HA CYS 12 HA CYS 12 12.581 19.484 12.204
56 HB2 CYS 12 HB2 CYS 12 11.121 17.887 13.449
57 HB3 CYS 12 HB3 CYS 12 11.928 17.179 12.061
58 H TYR 13 H TYR 13 14.005 18.091 15.158
59 HA TYR 13 HA TYR 13 13.893 20.656 16.593
60 HB2 TYR 13 HB2 TYR 13 12.074 18.296 17.136
61 HB3 TYR 13 HB3 TYR 13 12.671 19.196 18.504
62 HD1 TYR 13 HD1 TYR 13 12.466 21.795 18.441
63 HD2 TYR 13 HD2 TYR 13 10.039 19.079 16.135
64 HE1 TYR 13 HE1 TYR 13 10.700 23.536 18.265
65 HE2 TYR 13 HE2 TYR 13 8.268 20.824 15.948
66 HH TYR 13 HH TYR 13 8.660 24.059 17.432
67 H ASP 14 H ASP 14 15.835 18.429 15.723
68 HA ASP 14 HA ASP 14 17.281 16.985 16.460
69 HB2 ASP 14 HB2 ASP 14 19.135 17.717 17.667
70 HB3 ASP 14 HB3 ASP 14 18.523 19.033 16.673
71 H THR 15 H THR 15 18.312 16.539 19.292
72 HA THR 15 HA THR 15 15.934 15.306 20.519
73 HB THR 15 HB THR 15 18.217 13.508 19.625
74 HG1 THR 15 HG1 THR 15 15.802 12.823 18.598
75 H ILE 16 H ILE 16 16.155 15.145 22.666
76 HA ILE 16 HA ILE 16 16.847 15.823 24.700
77 HB ILE 16 HB ILE 16 19.369 14.277 24.070
78 H GLY 17 H GLY 17 16.763 17.965 24.350
79 HA2 GLY 17 HA2 GLY 17 17.548 20.114 24.668
80 HA3 GLY 17 HA3 GLY 17 19.102 19.405 25.148
81 H THR 18 H THR 18 20.637 18.913 23.539
82 HA THR 18 HA THR 18 20.373 20.581 21.052
83 HB THR 18 HB THR 18 23.049 19.846 22.250
84 HG1 THR 18 HG1 THR 18 21.891 20.780 23.955
85 H CYS 19 H CYS 19 21.277 17.423 22.374
86 HA CYS 19 HA CYS 19 20.927 15.958 20.105
87 HB2 CYS 19 HB2 CYS 19 23.177 15.467 19.292
88 HB3 CYS 19 HB3 CYS 19 22.658 17.073 18.929
89 H VAL 20 H VAL 20 22.293 13.802 20.170
90 HA VAL 20 HA VAL 20 22.638 12.944 23.035
91 HB VAL 20 HB VAL 20 21.380 11.469 20.678
92 H ASP 21 H ASP 21 24.347 11.459 23.413
93 HA ASP 21 HA ASP 21 26.518 10.781 23.160
94 HB2 ASP 21 HB2 ASP 21 25.366 9.841 20.499
95 HB3 ASP 21 HB3 ASP 21 26.921 9.352 21.138
96 H GLY 22 H GLY 22 25.880 13.554 21.998
97 HA2 GLY 22 HA2 GLY 22 27.260 15.246 21.197
98 HA3 GLY 22 HA3 GLY 22 28.525 14.063 20.811
99 H LYS 23 H LYS 23 25.645 12.900 19.502
100 HA LYS 23 HA LYS 23 26.224 14.038 16.797
101 HB2 LYS 23 HB2 LYS 23 25.033 11.355 17.638
102 HB3 LYS 23 HB3 LYS 23 24.965 11.997 16.010
103 HG2 LYS 23 HG2 LYS 23 26.690 10.474 15.946
104 HG3 LYS 23 HG3 LYS 23 27.498 12.047 15.960
105 HD2 LYS 23 HD2 LYS 23 28.174 11.773 18.247
106 HD3 LYS 23 HD3 LYS 23 27.034 10.427 18.490
107 HE2 LYS 23 HE2 LYS 23 28.318 9.063 16.853
108 HE3 LYS 23 HE3 LYS 23 29.501 10.381 16.706
109 HZ1 LYS 23 HZ1 LYS 23 28.823 9.047 19.270
110 HZ2 LYS 23 HZ2 LYS 23 30.042 10.132 19.015
111 HZ3 LYS 23 HZ3 LYS 23 30.141 8.646 18.380
112 H CYS 24 H CYS 24 24.753 15.271 15.948
113 HA CYS 24 HA CYS 24 22.178 15.809 17.176
114 HB2 CYS 24 HB2 CYS 24 23.899 16.819 14.982
115 HB3 CYS 24 HB3 CYS 24 22.205 16.907 14.610
116 H LYS 25 H LYS 25 20.200 14.977 16.744
117 HA LYS 25 HA LYS 25 19.724 13.400 14.294
118 HB2 LYS 25 HB2 LYS 25 20.652 11.897 16.253
119 HB3 LYS 25 HB3 LYS 25 19.126 12.235 17.055
120 HG2 LYS 25 HG2 LYS 25 18.800 10.165 16.002
121 HG3 LYS 25 HG3 LYS 25 17.975 11.295 14.930
122 HD2 LYS 25 HD2 LYS 25 20.203 11.357 13.577
123 HD3 LYS 25 HD3 LYS 25 20.698 9.978 14.551
124 HE2 LYS 25 HE2 LYS 25 18.257 10.141 12.717
125 HE3 LYS 25 HE3 LYS 25 19.768 9.294 12.375
126 HZ1 LYS 25 HZ1 LYS 25 18.192 7.726 13.112
127 HZ2 LYS 25 HZ2 LYS 25 17.797 8.564 14.474
128 HZ3 LYS 25 HZ3 LYS 25 19.259 7.895 14.381
129 H CYS 26 H CYS 26 17.409 13.079 13.935
130 HA CYS 26 HA CYS 26 15.688 15.048 15.405
131 HB2 CYS 26 HB2 CYS 26 15.810 15.800 13.150
132 HB3 CYS 26 HB3 CYS 26 15.841 14.160 12.523
133 H MET 27 H MET 27 13.911 14.311 16.319
134 HA MET 27 HA MET 27 12.408 12.930 17.274
135 HB2 MET 27 HB2 MET 27 11.583 12.827 14.867
136 HB3 MET 27 HB3 MET 27 12.421 11.278 14.725
137 HG2 MET 27 HG2 MET 27 11.058 10.428 16.662
138 HG3 MET 27 HG3 MET 27 10.197 11.954 16.696
139 HE1 MET 27 HE1 MET 27 7.952 11.837 13.552
140 HE2 MET 27 HE2 MET 27 8.359 12.670 15.061
141 HE3 MET 27 HE3 MET 27 9.503 12.683 13.702
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 28.810 20.207 22.315
2 H2 ALA 1 H2 ALA 1 29.632 18.900 21.788
3 H3 ALA 1 H3 ALA 1 28.023 18.947 21.566
4 HA ALA 1 HA ALA 1 30.045 20.597 20.264
5 HB1 ALA 1 HB1 ALA 1 29.469 19.562 18.202
6 HB2 ALA 1 HB2 ALA 1 29.760 18.263 19.371
7 HB3 ALA 1 HB3 ALA 1 28.093 18.708 18.915
8 H CYS 2 H CYS 2 26.768 20.695 21.435
9 HA CYS 2 HA CYS 2 26.033 22.789 19.513
10 HB2 CYS 2 HB2 CYS 2 24.330 22.328 21.872
11 HB3 CYS 2 HB3 CYS 2 23.913 22.480 20.190
12 H VAL 3 H VAL 3 25.453 24.911 20.212
13 HA VAL 3 HA VAL 3 26.641 25.766 22.835
14 HB VAL 3 HB VAL 3 26.551 27.417 20.298
15 H THR 4 H THR 4 23.923 26.095 20.574
16 HA THR 4 HA THR 4 22.098 26.800 22.726
17 HB THR 4 HB THR 4 21.680 28.916 20.849
18 HG1 THR 4 HG1 THR 4 23.933 28.671 20.293
19 H HIS 5 H HIS 5 19.907 27.494 21.631
20 HA HIS 5 HA HIS 5 18.996 25.462 19.877
21 HB2 HIS 5 HB2 HIS 5 17.038 27.026 19.524
22 HB3 HIS 5 HB3 HIS 5 17.394 26.571 21.182
23 HD2 HIS 5 HD2 HIS 5 17.223 28.490 22.840
24 HE1 HIS 5 HE1 HIS 5 18.103 31.804 20.309
25 HE2 HIS 5 HE2 HIS 5 17.420 31.099 22.676
26 H GLU 6 H GLU 6 20.075 28.753 19.056
27 HA GLU 6 HA GLU 6 19.731 28.763 16.311
28 HB2 GLU 6 HB2 GLU 6 20.568 30.592 17.802
29 HB3 GLU 6 HB3 GLU 6 22.103 29.740 17.958
30 HG2 GLU 6 HG2 GLU 6 22.371 30.014 15.421
31 HG3 GLU 6 HG3 GLU 6 20.960 31.083 15.481
32 H ASP 7 H ASP 7 22.403 27.214 18.113
33 HA ASP 7 HA ASP 7 23.829 26.419 15.722
34 HB2 ASP 7 HB2 ASP 7 24.196 25.467 18.585
35 HB3 ASP 7 HB3 ASP 7 25.365 25.361 17.261
36 H CYS 8 H CYS 8 20.981 25.371 16.952
37 HA CYS 8 HA CYS 8 21.210 22.698 15.684
38 HB2 CYS 8 HB2 CYS 8 19.449 23.573 18.009
39 HB3 CYS 8 HB3 CYS 8 19.513 21.966 17.316
40 H THR 9 H THR 9 20.494 25.471 14.562
41 HA THR 9 HA THR 9 17.771 25.773 14.224
42 HB THR 9 HB THR 9 19.981 26.437 12.261
43 HG1 THR 9 HG1 THR 9 20.103 27.589 14.131
44 H LEU 10 H LEU 10 19.757 23.522 12.315
45 HA LEU 10 HA LEU 10 17.705 22.720 10.481
46 HB2 LEU 10 HB2 LEU 10 20.228 22.280 10.378
47 HB3 LEU 10 HB3 LEU 10 20.002 21.089 11.649
48 HG LEU 10 HG LEU 10 18.403 19.857 10.041
49 H LEU 11 H LEU 11 18.118 22.109 13.879
50 HA LEU 11 HA LEU 11 16.394 19.715 13.818
51 HB2 LEU 11 HB2 LEU 11 17.936 20.908 16.154
52 HB3 LEU 11 HB3 LEU 11 16.957 19.475 16.189
53 HG LEU 11 HG LEU 11 19.055 18.597 16.093
54 H CYS 12 H CYS 12 14.350 19.819 14.298
55 HA CYS 12 HA CYS 12 12.819 22.088 14.363
56 HB2 CYS 12 HB2 CYS 12 11.083 20.645 15.410
57 HB3 CYS 12 HB3 CYS 12 11.854 19.925 14.011
58 H TYR 13 H TYR 13 13.924 20.334 17.274
59 HA TYR 13 HA TYR 13 14.261 22.737 18.843
60 HB2 TYR 13 HB2 TYR 13 11.605 21.865 18.691
61 HB3 TYR 13 HB3 TYR 13 12.150 21.048 20.117
62 HD1 TYR 13 HD2 TYR 13 13.141 22.504 22.063
63 HD2 TYR 13 HD1 TYR 13 11.166 24.161 18.618
64 HE1 TYR 13 HE2 TYR 13 12.816 24.653 23.278
65 HE2 TYR 13 HE1 TYR 13 10.826 26.300 19.821
66 HH TYR 13 HH TYR 13 11.155 27.430 21.767
67 H ASP 14 H ASP 14 15.684 20.198 18.098
68 HA ASP 14 HA ASP 14 16.878 18.475 19.002
69 HB2 ASP 14 HB2 ASP 14 17.976 20.274 20.140
70 HB3 ASP 14 HB3 ASP 14 16.810 20.291 21.439
71 H THR 15 H THR 15 16.951 16.768 20.822
72 HA THR 15 HA THR 15 14.233 15.596 21.011
73 HB THR 15 HB THR 15 15.860 13.838 22.293
74 HG1 THR 15 HG1 THR 15 17.397 15.015 20.302
75 H ILE 16 H ILE 16 16.143 17.664 22.914
76 HA ILE 16 HA ILE 16 14.462 17.054 25.303
77 HB ILE 16 HB ILE 16 17.448 17.611 25.231
78 H GLY 17 H GLY 17 16.722 19.540 23.969
79 HA2 GLY 17 HA2 GLY 17 14.807 21.574 24.101
80 HA3 GLY 17 HA3 GLY 17 15.583 21.610 25.691
81 H THR 18 H THR 18 18.270 21.050 24.765
82 HA THR 18 HA THR 18 18.818 23.376 22.994
83 HB THR 18 HB THR 18 20.438 23.100 25.536
84 HG1 THR 18 HG1 THR 18 18.049 24.511 25.073
85 H CYS 19 H CYS 19 20.047 20.470 24.655
86 HA CYS 19 HA CYS 19 21.373 19.482 22.335
87 HB2 CYS 19 HB2 CYS 19 22.914 21.429 23.194
88 HB3 CYS 19 HB3 CYS 19 23.153 20.457 24.623
89 H VAL 20 H VAL 20 22.037 17.284 22.801
90 HA VAL 20 HA VAL 20 22.152 16.440 25.641
91 HB VAL 20 HB VAL 20 19.852 16.037 24.919
92 H ASP 21 H ASP 21 23.552 14.655 25.992
93 HA ASP 21 HA ASP 21 25.514 13.550 25.623
94 HB2 ASP 21 HB2 ASP 21 24.046 12.813 23.057
95 HB3 ASP 21 HB3 ASP 21 25.517 12.038 23.610
96 H GLY 22 H GLY 22 25.394 16.391 24.547
97 HA2 GLY 22 HA2 GLY 22 26.922 17.824 23.571
98 HA3 GLY 22 HA3 GLY 22 28.018 16.455 23.303
99 H LYS 23 H LYS 23 24.800 15.992 22.018
100 HA LYS 23 HA LYS 23 25.533 17.074 19.368
101 HB2 LYS 23 HB2 LYS 23 26.460 14.758 19.616
102 HB3 LYS 23 HB3 LYS 23 24.816 14.145 19.805
103 HG2 LYS 23 HG2 LYS 23 24.222 14.808 17.568
104 HG3 LYS 23 HG3 LYS 23 25.677 15.825 17.402
105 HD2 LYS 23 HD2 LYS 23 27.091 13.773 17.530
106 HD3 LYS 23 HD3 LYS 23 25.631 12.771 17.633
107 HE2 LYS 23 HE2 LYS 23 24.887 13.485 15.455
108 HE3 LYS 23 HE3 LYS 23 26.116 14.758 15.369
109 HZ1 LYS 23 HZ1 LYS 23 26.670 11.831 15.272
110 HZ2 LYS 23 HZ2 LYS 23 27.824 13.042 15.281
111 HZ3 LYS 23 HZ3 LYS 23 26.780 12.936 14.040
112 H CYS 24 H CYS 24 23.919 18.142 18.521
113 HA CYS 24 HA CYS 24 21.253 17.927 19.666
114 HB2 CYS 24 HB2 CYS 24 22.771 19.834 18.133
115 HB3 CYS 24 HB3 CYS 24 21.282 19.499 17.265
116 H LYS 25 H LYS 25 19.524 16.856 18.956
117 HA LYS 25 HA LYS 25 19.338 15.964 16.115
118 HB2 LYS 25 HB2 LYS 25 20.412 14.034 17.231
119 HB3 LYS 25 HB3 LYS 25 19.158 14.039 18.483
120 HG2 LYS 25 HG2 LYS 25 17.424 13.593 16.749
121 HG3 LYS 25 HG3 LYS 25 18.670 13.563 15.504
122 HD2 LYS 25 HD2 LYS 25 19.606 11.511 16.508
123 HD3 LYS 25 HD3 LYS 25 18.439 11.649 17.867
124 HE2 LYS 25 HE2 LYS 25 16.555 11.586 16.242
125 HE3 LYS 25 HE3 LYS 25 17.695 11.371 14.914
126 HZ1 LYS 25 HZ1 LYS 25 17.278 9.528 17.182
127 HZ2 LYS 25 HZ2 LYS 25 18.375 9.264 15.933
128 HZ3 LYS 25 HZ3 LYS 25 16.764 9.277 15.648
129 H CYS 26 H CYS 26 17.292 16.091 15.386
130 HA CYS 26 HA CYS 26 15.137 16.971 17.238
131 HB2 CYS 26 HB2 CYS 26 15.377 18.285 15.229
132 HB3 CYS 26 HB3 CYS 26 15.464 16.839 14.226
133 H MET 27 H MET 27 13.469 15.721 17.779
134 HA MET 27 HA MET 27 12.084 13.987 18.051
135 HB2 MET 27 HB2 MET 27 11.636 14.459 15.603
136 HB3 MET 27 HB3 MET 27 12.689 13.085 15.222
137 HG2 MET 27 HG2 MET 27 11.210 11.592 16.515
138 HG3 MET 27 HG3 MET 27 10.206 12.974 16.979
139 HE1 MET 27 HE1 MET 27 7.755 11.142 14.608
140 HE2 MET 27 HE2 MET 27 8.865 10.452 15.817
141 HE3 MET 27 HE3 MET 27 7.977 11.955 16.173
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 28.477 17.574 22.157
2 H2 ALA 1 H2 ALA 1 29.421 16.295 21.823
3 H3 ALA 1 H3 ALA 1 27.811 16.209 21.470
4 HA ALA 1 HA ALA 1 29.846 17.883 20.211
5 HB1 ALA 1 HB1 ALA 1 28.187 15.698 18.920
6 HB2 ALA 1 HB2 ALA 1 29.541 16.602 18.221
7 HB3 ALA 1 HB3 ALA 1 29.839 15.471 19.550
8 H CYS 2 H CYS 2 27.344 18.818 21.587
9 HA CYS 2 HA CYS 2 25.940 20.097 19.294
10 HB2 CYS 2 HB2 CYS 2 24.016 19.760 21.211
11 HB3 CYS 2 HB3 CYS 2 24.275 18.672 19.856
12 H VAL 3 H VAL 3 26.862 22.119 19.497
13 HA VAL 3 HA VAL 3 27.828 23.167 21.974
14 HB VAL 3 HB VAL 3 27.131 24.731 19.468
15 H THR 4 H THR 4 24.720 23.618 20.300
16 HA THR 4 HA THR 4 23.394 24.378 22.798
17 HB THR 4 HB THR 4 22.617 26.414 20.912
18 HG1 THR 4 HG1 THR 4 24.711 26.134 19.986
19 H HIS 5 H HIS 5 21.004 25.134 22.135
20 HA HIS 5 HA HIS 5 19.706 23.001 20.812
21 HB2 HIS 5 HB2 HIS 5 18.629 25.828 21.121
22 HB3 HIS 5 HB3 HIS 5 17.709 24.334 21.037
23 HD2 HIS 5 HD2 HIS 5 16.786 23.639 23.351
24 HE1 HIS 5 HE1 HIS 5 19.602 25.601 25.887
25 HE2 HIS 5 HE2 HIS 5 17.442 24.249 25.831
26 H GLU 6 H GLU 6 20.646 26.214 19.590
27 HA GLU 6 HA GLU 6 19.407 25.998 17.030
28 HB2 GLU 6 HB2 GLU 6 19.954 28.102 17.844
29 HB3 GLU 6 HB3 GLU 6 21.593 27.672 18.264
30 HG2 GLU 6 HG2 GLU 6 20.683 27.745 15.355
31 HG3 GLU 6 HG3 GLU 6 21.105 29.221 16.215
32 H ASP 7 H ASP 7 22.533 24.747 18.197
33 HA ASP 7 HA ASP 7 23.533 24.091 15.606
34 HB2 ASP 7 HB2 ASP 7 24.205 22.863 18.304
35 HB3 ASP 7 HB3 ASP 7 25.137 22.675 16.811
36 H CYS 8 H CYS 8 20.871 22.862 17.143
37 HA CYS 8 HA CYS 8 20.937 20.319 15.600
38 HB2 CYS 8 HB2 CYS 8 19.319 21.024 18.069
39 HB3 CYS 8 HB3 CYS 8 19.480 19.443 17.339
40 H THR 9 H THR 9 20.056 23.245 14.873
41 HA THR 9 HA THR 9 17.275 23.371 14.617
42 HB THR 9 HB THR 9 19.381 24.523 12.750
43 HG1 THR 9 HG1 THR 9 19.601 25.348 14.744
44 H LEU 10 H LEU 10 19.488 21.578 12.548
45 HA LEU 10 HA LEU 10 17.670 21.023 10.412
46 HB2 LEU 10 HB2 LEU 10 20.149 20.815 10.445
47 HB3 LEU 10 HB3 LEU 10 20.039 19.406 11.486
48 HG LEU 10 HG LEU 10 18.557 19.376 8.856
49 H LEU 11 H LEU 11 17.782 19.852 13.687
50 HA LEU 11 HA LEU 11 16.238 17.424 13.039
51 HB2 LEU 11 HB2 LEU 11 17.364 18.412 15.686
52 HB3 LEU 11 HB3 LEU 11 16.485 16.929 15.446
53 HG LEU 11 HG LEU 11 18.634 16.183 15.546
54 H CYS 12 H CYS 12 14.156 17.203 13.431
55 HA CYS 12 HA CYS 12 12.329 19.228 13.454
56 HB2 CYS 12 HB2 CYS 12 10.756 17.500 14.355
57 HB3 CYS 12 HB3 CYS 12 11.713 16.950 12.994
58 H TYR 13 H TYR 13 13.396 17.515 16.390
59 HA TYR 13 HA TYR 13 13.093 19.919 18.072
60 HB2 TYR 13 HB2 TYR 13 11.303 17.479 18.152
61 HB3 TYR 13 HB3 TYR 13 11.741 18.210 19.668
62 HD1 TYR 13 HD2 TYR 13 11.322 20.708 20.049
63 HD2 TYR 13 HD1 TYR 13 9.433 18.400 16.948
64 HE1 TYR 13 HE2 TYR 13 9.395 22.291 20.053
65 HE2 TYR 13 HE1 TYR 13 7.498 19.976 16.955
66 HH TYR 13 HH TYR 13 7.296 22.695 19.270
67 H ASP 14 H ASP 14 15.218 17.975 17.138
68 HA ASP 14 HA ASP 14 16.339 16.124 17.793
69 HB2 ASP 14 HB2 ASP 14 18.306 16.620 18.998
70 HB3 ASP 14 HB3 ASP 14 17.894 17.816 17.793
71 H THR 15 H THR 15 17.448 15.896 20.744
72 HA THR 15 HA THR 15 15.501 13.669 21.121
73 HB THR 15 HB THR 15 17.321 12.920 22.792
74 HG1 THR 15 HG1 THR 15 19.402 13.758 22.076
75 H ILE 16 H ILE 16 17.379 15.715 23.370
76 HA ILE 16 HA ILE 16 14.880 16.230 24.896
77 HB ILE 16 HB ILE 16 17.378 15.267 26.305
78 H GLY 17 H GLY 17 14.940 18.168 23.842
79 HA2 GLY 17 HA2 GLY 17 15.206 20.432 23.811
80 HA3 GLY 17 HA3 GLY 17 15.816 20.308 25.450
81 H THR 18 H THR 18 18.176 19.973 25.709
82 HA THR 18 HA THR 18 19.732 21.654 23.892
83 HB THR 18 HB THR 18 21.624 20.855 25.454
84 HG1 THR 18 HG1 THR 18 20.655 20.188 27.520
85 H CYS 19 H CYS 19 20.043 18.285 25.084
86 HA CYS 19 HA CYS 19 20.514 17.030 22.565
87 HB2 CYS 19 HB2 CYS 19 22.582 18.662 22.940
88 HB3 CYS 19 HB3 CYS 19 23.058 17.521 24.174
89 H VAL 20 H VAL 20 21.704 14.831 22.956
90 HA VAL 20 HA VAL 20 21.700 13.889 25.773
91 HB VAL 20 HB VAL 20 20.121 12.543 23.537
92 H ASP 21 H ASP 21 23.175 12.268 26.153
93 HA ASP 21 HA ASP 21 25.253 11.370 25.871
94 HB2 ASP 21 HB2 ASP 21 23.680 10.062 23.644
95 HB3 ASP 21 HB3 ASP 21 25.269 9.515 24.181
96 H GLY 22 H GLY 22 25.096 13.949 24.779
97 HA2 GLY 22 HA2 GLY 22 26.415 15.409 23.589
98 HA3 GLY 22 HA3 GLY 22 27.606 14.101 23.448
99 H LYS 23 H LYS 23 24.379 13.596 22.105
100 HA LYS 23 HA LYS 23 25.301 14.272 19.342
101 HB2 LYS 23 HB2 LYS 23 25.731 11.839 19.983
102 HB3 LYS 23 HB3 LYS 23 24.010 11.667 20.239
103 HG2 LYS 23 HG2 LYS 23 24.155 10.815 18.138
104 HG3 LYS 23 HG3 LYS 23 23.832 12.493 17.705
105 HD2 LYS 23 HD2 LYS 23 26.271 12.838 17.295
106 HD3 LYS 23 HD3 LYS 23 26.591 11.175 17.833
107 HE2 LYS 23 HE2 LYS 23 25.033 10.371 15.989
108 HE3 LYS 23 HE3 LYS 23 24.977 12.036 15.390
109 HZ1 LYS 23 HZ1 LYS 23 26.645 10.758 14.208
110 HZ2 LYS 23 HZ2 LYS 23 27.416 10.337 15.567
111 HZ3 LYS 23 HZ3 LYS 23 27.409 11.914 15.068
112 H CYS 24 H CYS 24 23.776 15.360 18.238
113 HA CYS 24 HA CYS 24 21.011 15.504 19.336
114 HB2 CYS 24 HB2 CYS 24 22.753 17.342 17.812
115 HB3 CYS 24 HB3 CYS 24 21.108 17.238 17.208
116 H LYS 25 H LYS 25 19.333 14.539 18.386
117 HA LYS 25 HA LYS 25 19.431 13.653 15.565
118 HB2 LYS 25 HB2 LYS 25 20.487 11.972 17.329
119 HB3 LYS 25 HB3 LYS 25 18.813 11.631 17.773
120 HG2 LYS 25 HG2 LYS 25 19.992 11.322 14.967
121 HG3 LYS 25 HG3 LYS 25 20.025 10.074 16.167
122 HD2 LYS 25 HD2 LYS 25 17.557 11.201 14.857
123 HD3 LYS 25 HD3 LYS 25 18.293 9.625 14.556
124 HE2 LYS 25 HE2 LYS 25 17.834 8.951 16.925
125 HE3 LYS 25 HE3 LYS 25 17.021 10.496 17.191
126 HZ1 LYS 25 HZ1 LYS 25 15.380 8.808 16.653
127 HZ2 LYS 25 HZ2 LYS 25 16.118 8.427 15.253
128 HZ3 LYS 25 HZ3 LYS 25 15.405 9.900 15.470
129 H CYS 26 H CYS 26 17.383 13.779 14.675
130 HA CYS 26 HA CYS 26 15.126 14.780 16.289
131 HB2 CYS 26 HB2 CYS 26 15.377 15.593 14.016
132 HB3 CYS 26 HB3 CYS 26 15.524 13.957 13.394
133 H MET 27 H MET 27 13.292 13.615 16.910
134 HA MET 27 HA MET 27 13.452 10.853 17.429
135 HB2 MET 27 HB2 MET 27 11.093 12.752 17.242
136 HB3 MET 27 HB3 MET 27 10.880 11.021 17.516
137 HG2 MET 27 HG2 MET 27 12.479 11.169 19.452
138 HG3 MET 27 HG3 MET 27 12.476 12.918 19.262
139 HE1 MET 27 HE1 MET 27 9.328 10.324 18.995
140 HE2 MET 27 HE2 MET 27 10.476 9.697 20.201
141 HE3 MET 27 HE3 MET 27 8.893 10.319 20.713
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 32.074 20.502 23.627
2 H2 ALA 1 H2 ALA 1 32.969 19.203 23.188
3 H3 ALA 1 H3 ALA 1 31.373 19.200 22.860
4 HA ALA 1 HA ALA 1 33.401 20.919 21.664
5 HB1 ALA 1 HB1 ALA 1 33.071 19.788 19.612
6 HB2 ALA 1 HB2 ALA 1 33.283 18.531 20.843
7 HB3 ALA 1 HB3 ALA 1 31.659 18.909 20.215
8 H CYS 2 H CYS 2 30.537 21.477 23.059
9 HA CYS 2 HA CYS 2 29.498 23.151 20.823
10 HB2 CYS 2 HB2 CYS 2 27.783 22.607 23.162
11 HB3 CYS 2 HB3 CYS 2 27.391 22.663 21.474
12 H VAL 3 H VAL 3 30.255 25.247 21.188
13 HA VAL 3 HA VAL 3 31.129 26.041 23.847
14 HB VAL 3 HB VAL 3 30.653 27.940 21.534
15 H THR 4 H THR 4 28.237 26.702 21.880
16 HA THR 4 HA THR 4 26.704 27.354 24.320
17 HB THR 4 HB THR 4 26.078 29.291 22.251
18 HG1 THR 4 HG1 THR 4 28.248 29.079 21.606
19 H HIS 5 H HIS 5 24.357 28.010 23.553
20 HA HIS 5 HA HIS 5 23.109 25.840 22.209
21 HB2 HIS 5 HB2 HIS 5 22.121 28.727 22.518
22 HB3 HIS 5 HB3 HIS 5 21.115 27.328 22.179
23 HD2 HIS 5 HD2 HIS 5 23.150 25.889 24.695
24 HE1 HIS 5 HE1 HIS 5 20.244 27.944 26.996
25 HE2 HIS 5 HE2 HIS 5 22.030 26.137 27.045
26 H GLU 6 H GLU 6 24.243 28.964 21.003
27 HA GLU 6 HA GLU 6 22.974 28.820 18.435
28 HB2 GLU 6 HB2 GLU 6 23.882 30.847 19.820
29 HB3 GLU 6 HB3 GLU 6 25.432 30.473 19.100
30 HG2 GLU 6 HG2 GLU 6 22.860 31.210 17.630
31 HG3 GLU 6 HG3 GLU 6 24.200 32.300 17.957
32 H ASP 7 H ASP 7 26.110 27.702 19.739
33 HA ASP 7 HA ASP 7 27.496 27.335 17.345
34 HB2 ASP 7 HB2 ASP 7 27.627 25.645 19.870
35 HB3 ASP 7 HB3 ASP 7 28.672 25.439 18.469
36 H CYS 8 H CYS 8 24.833 25.546 18.572
37 HA CYS 8 HA CYS 8 24.981 23.667 16.247
38 HB2 CYS 8 HB2 CYS 8 23.664 23.248 18.949
39 HB3 CYS 8 HB3 CYS 8 23.944 22.054 17.680
40 H THR 9 H THR 9 23.703 26.443 16.390
41 HA THR 9 HA THR 9 20.936 26.422 16.563
42 HB THR 9 HB THR 9 22.731 27.817 14.547
43 HG1 THR 9 HG1 THR 9 22.681 29.365 15.954
44 H LEU 10 H LEU 10 22.844 24.964 13.973
45 HA LEU 10 HA LEU 10 20.714 24.589 12.120
46 HB2 LEU 10 HB2 LEU 10 22.144 22.839 11.145
47 HB3 LEU 10 HB3 LEU 10 22.963 24.373 11.346
48 HG LEU 10 HG LEU 10 23.335 22.393 13.581
49 H LEU 11 H LEU 11 21.387 22.896 15.094
50 HA LEU 11 HA LEU 11 19.788 20.528 14.329
51 HB2 LEU 11 HB2 LEU 11 21.107 21.354 16.954
52 HB3 LEU 11 HB3 LEU 11 20.353 19.803 16.641
53 HG LEU 11 HG LEU 11 22.873 20.914 15.315
54 H CYS 12 H CYS 12 17.724 20.245 14.917
55 HA CYS 12 HA CYS 12 15.891 22.168 15.261
56 HB2 CYS 12 HB2 CYS 12 14.456 20.423 16.268
57 HB3 CYS 12 HB3 CYS 12 15.330 19.844 14.865
58 H TYR 13 H TYR 13 17.353 20.506 18.056
59 HA TYR 13 HA TYR 13 17.202 22.936 19.696
60 HB2 TYR 13 HB2 TYR 13 15.363 20.594 20.024
61 HB3 TYR 13 HB3 TYR 13 16.094 21.184 21.495
62 HD1 TYR 13 HD2 TYR 13 15.945 23.626 22.123
63 HD2 TYR 13 HD1 TYR 13 13.482 21.825 19.080
64 HE1 TYR 13 HE2 TYR 13 14.353 25.533 22.287
65 HE2 TYR 13 HE1 TYR 13 11.881 23.730 19.248
66 HH TYR 13 HH TYR 13 12.419 26.440 21.525
67 H ASP 14 H ASP 14 19.218 20.995 18.544
68 HA ASP 14 HA ASP 14 20.815 19.484 19.134
69 HB2 ASP 14 HB2 ASP 14 22.636 20.398 20.289
70 HB3 ASP 14 HB3 ASP 14 21.896 21.615 19.269
71 H THR 15 H THR 15 22.058 19.294 21.901
72 HA THR 15 HA THR 15 20.363 16.928 22.479
73 HB THR 15 HB THR 15 22.828 16.988 24.011
74 HG1 THR 15 HG1 THR 15 24.255 16.689 22.289
75 H ILE 16 H ILE 16 18.854 17.368 23.879
76 HA ILE 16 HA ILE 16 17.736 17.833 25.745
77 HB ILE 16 HB ILE 16 20.428 18.065 27.113
78 H GLY 17 H GLY 17 20.338 20.264 25.438
79 HA2 GLY 17 HA2 GLY 17 18.467 22.302 24.961
80 HA3 GLY 17 HA3 GLY 17 18.895 22.437 26.672
81 H THR 18 H THR 18 21.674 21.365 25.787
82 HA THR 18 HA THR 18 22.769 23.863 24.605
83 HB THR 18 HB THR 18 23.849 22.502 27.125
84 HG1 THR 18 HG1 THR 18 23.148 24.116 28.298
85 H CYS 19 H CYS 19 23.591 20.636 25.904
86 HA CYS 19 HA CYS 19 25.015 19.647 23.643
87 HB2 CYS 19 HB2 CYS 19 26.508 21.636 24.522
88 HB3 CYS 19 HB3 CYS 19 26.729 20.688 25.960
89 H VAL 20 H VAL 20 25.643 17.445 24.147
90 HA VAL 20 HA VAL 20 25.806 16.655 27.006
91 HB VAL 20 HB VAL 20 24.026 15.244 24.992
92 H ASP 21 H ASP 21 27.285 15.055 27.413
93 HA ASP 21 HA ASP 21 29.355 14.188 27.104
94 HB2 ASP 21 HB2 ASP 21 27.662 12.720 25.082
95 HB3 ASP 21 HB3 ASP 21 29.337 12.281 25.394
96 H GLY 22 H GLY 22 29.191 16.688 25.979
97 HA2 GLY 22 HA2 GLY 22 30.574 18.097 24.780
98 HA3 GLY 22 HA3 GLY 22 31.677 16.718 24.564
99 H LYS 23 H LYS 23 28.429 16.227 23.382
100 HA LYS 23 HA LYS 23 29.224 16.966 20.610
101 HB2 LYS 23 HB2 LYS 23 29.879 14.659 21.121
102 HB3 LYS 23 HB3 LYS 23 28.221 14.244 21.544
103 HG2 LYS 23 HG2 LYS 23 27.528 14.185 19.330
104 HG3 LYS 23 HG3 LYS 23 28.664 15.435 18.819
105 HD2 LYS 23 HD2 LYS 23 29.215 13.235 17.837
106 HD3 LYS 23 HD3 LYS 23 30.521 13.917 18.815
107 HE2 LYS 23 HE2 LYS 23 29.822 12.434 20.719
108 HE3 LYS 23 HE3 LYS 23 28.615 11.684 19.664
109 HZ1 LYS 23 HZ1 LYS 23 31.520 11.738 19.052
110 HZ2 LYS 23 HZ2 LYS 23 30.385 10.815 18.286
111 HZ3 LYS 23 HZ3 LYS 23 30.838 10.522 19.849
112 H CYS 24 H CYS 24 27.728 17.940 19.511
113 HA CYS 24 HA CYS 24 25.071 18.395 20.672
114 HB2 CYS 24 HB2 CYS 24 26.862 19.664 18.717
115 HB3 CYS 24 HB3 CYS 24 25.205 19.606 18.171
116 H LYS 25 H LYS 25 23.236 17.319 20.097
117 HA LYS 25 HA LYS 25 22.994 16.243 17.351
118 HB2 LYS 25 HB2 LYS 25 23.684 14.546 19.589
119 HB3 LYS 25 HB3 LYS 25 22.027 14.173 19.112
120 HG2 LYS 25 HG2 LYS 25 22.777 13.921 16.744
121 HG3 LYS 25 HG3 LYS 25 24.448 14.235 17.248
122 HD2 LYS 25 HD2 LYS 25 24.412 12.202 18.673
123 HD3 LYS 25 HD3 LYS 25 22.710 11.950 18.269
124 HE2 LYS 25 HE2 LYS 25 23.765 10.471 16.817
125 HE3 LYS 25 HE3 LYS 25 23.442 11.876 15.805
126 HZ1 LYS 25 HZ1 LYS 25 25.664 11.126 15.431
127 HZ2 LYS 25 HZ2 LYS 25 26.042 11.142 17.038
128 HZ3 LYS 25 HZ3 LYS 25 25.814 12.548 16.218
129 H CYS 26 H CYS 26 21.049 16.573 16.543
130 HA CYS 26 HA CYS 26 18.974 17.938 18.021
131 HB2 CYS 26 HB2 CYS 26 19.155 18.339 15.642
132 HB3 CYS 26 HB3 CYS 26 19.137 16.620 15.292
133 H MET 27 H MET 27 17.028 17.182 18.833
134 HA MET 27 HA MET 27 16.952 14.406 19.678
135 HB2 MET 27 HB2 MET 27 14.968 16.699 19.962
136 HB3 MET 27 HB3 MET 27 14.717 15.077 20.631
137 HG2 MET 27 HG2 MET 27 16.869 15.253 21.861
138 HG3 MET 27 HG3 MET 27 17.065 16.908 21.290
139 HE1 MET 27 HE1 MET 27 14.533 18.964 23.294
140 HE2 MET 27 HE2 MET 27 16.016 18.964 22.315
141 HE3 MET 27 HE3 MET 27 14.472 18.444 21.595
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 32.177 22.159 23.967
2 H2 ALA 1 H2 ALA 1 32.934 20.814 23.404
3 H3 ALA 1 H3 ALA 1 31.318 20.918 23.258
4 HA ALA 1 HA ALA 1 33.324 22.522 21.880
5 HB1 ALA 1 HB1 ALA 1 32.688 21.480 19.846
6 HB2 ALA 1 HB2 ALA 1 32.989 20.185 21.027
7 HB3 ALA 1 HB3 ALA 1 31.312 20.651 20.604
8 H CYS 2 H CYS 2 30.322 22.975 23.365
9 HA CYS 2 HA CYS 2 29.403 24.869 21.265
10 HB2 CYS 2 HB2 CYS 2 27.691 24.357 23.588
11 HB3 CYS 2 HB3 CYS 2 27.313 24.387 21.909
12 H VAL 3 H VAL 3 30.200 26.910 21.636
13 HA VAL 3 HA VAL 3 31.088 27.776 24.268
14 HB VAL 3 HB VAL 3 30.602 29.413 21.758
15 H THR 4 H THR 4 28.146 28.322 22.333
16 HA THR 4 HA THR 4 26.621 29.019 24.741
17 HB THR 4 HB THR 4 26.051 31.006 22.663
18 HG1 THR 4 HG1 THR 4 28.217 30.936 22.211
19 H HIS 5 H HIS 5 24.289 29.744 23.906
20 HA HIS 5 HA HIS 5 23.013 27.590 22.517
21 HB2 HIS 5 HB2 HIS 5 22.204 30.524 22.908
22 HB3 HIS 5 HB3 HIS 5 21.160 29.299 22.229
23 HD2 HIS 5 HD2 HIS 5 23.157 29.470 25.629
24 HE1 HIS 5 HE1 HIS 5 19.135 28.335 26.404
25 HE2 HIS 5 HE2 HIS 5 21.414 28.779 27.456
26 H GLU 6 H GLU 6 24.048 30.784 21.407
27 HA GLU 6 HA GLU 6 23.085 30.760 18.772
28 HB2 GLU 6 HB2 GLU 6 23.927 32.704 20.082
29 HB3 GLU 6 HB3 GLU 6 25.553 32.018 20.054
30 HG2 GLU 6 HG2 GLU 6 25.180 32.293 17.379
31 HG3 GLU 6 HG3 GLU 6 24.039 33.505 17.919
32 H ASP 7 H ASP 7 26.051 29.361 20.158
33 HA ASP 7 HA ASP 7 27.420 29.008 17.661
34 HB2 ASP 7 HB2 ASP 7 27.857 27.664 20.356
35 HB3 ASP 7 HB3 ASP 7 28.919 27.514 18.960
36 H CYS 8 H CYS 8 24.695 27.442 18.824
37 HA CYS 8 HA CYS 8 24.999 25.301 16.789
38 HB2 CYS 8 HB2 CYS 8 23.561 25.183 19.456
39 HB3 CYS 8 HB3 CYS 8 23.781 23.859 18.302
40 H THR 9 H THR 9 23.774 28.137 16.800
41 HA THR 9 HA THR 9 21.018 28.187 16.839
42 HB THR 9 HB THR 9 22.760 29.476 14.683
43 HG1 THR 9 HG1 THR 9 23.387 30.186 16.654
44 H LEU 10 H LEU 10 22.973 26.657 14.336
45 HA LEU 10 HA LEU 10 20.930 26.284 12.392
46 HB2 LEU 10 HB2 LEU 10 22.333 24.424 11.566
47 HB3 LEU 10 HB3 LEU 10 23.175 25.953 11.701
48 HG LEU 10 HG LEU 10 23.441 24.075 14.040
49 H LEU 11 H LEU 11 21.508 24.599 15.414
50 HA LEU 11 HA LEU 11 19.826 22.295 14.703
51 HB2 LEU 11 HB2 LEU 11 21.089 23.158 17.343
52 HB3 LEU 11 HB3 LEU 11 20.329 21.610 17.034
53 HG LEU 11 HG LEU 11 22.898 22.675 15.763
54 H CYS 12 H CYS 12 17.757 22.040 15.277
55 HA CYS 12 HA CYS 12 15.963 24.047 15.515
56 HB2 CYS 12 HB2 CYS 12 14.438 22.336 16.450
57 HB3 CYS 12 HB3 CYS 12 15.363 21.735 15.085
58 H TYR 13 H TYR 13 17.393 22.407 18.320
59 HA TYR 13 HA TYR 13 17.029 24.791 20.009
60 HB2 TYR 13 HB2 TYR 13 15.635 22.122 20.472
61 HB3 TYR 13 HB3 TYR 13 16.010 23.185 21.809
62 HD1 TYR 13 HD1 TYR 13 15.225 25.663 21.669
63 HD2 TYR 13 HD2 TYR 13 13.523 22.438 19.369
64 HE1 TYR 13 HE1 TYR 13 13.133 26.985 21.357
65 HE2 TYR 13 HE2 TYR 13 11.429 23.758 19.071
66 HH TYR 13 HH TYR 13 10.343 25.752 19.504
67 H ASP 14 H ASP 14 19.165 22.776 18.889
68 HA ASP 14 HA ASP 14 20.732 21.281 19.567
69 HB2 ASP 14 HB2 ASP 14 22.519 22.199 20.869
70 HB3 ASP 14 HB3 ASP 14 21.923 23.313 19.655
71 H THR 15 H THR 15 21.983 20.922 22.183
72 HA THR 15 HA THR 15 20.071 18.811 22.903
73 HB THR 15 HB THR 15 22.474 18.596 24.450
74 HG1 THR 15 HG1 THR 15 24.005 18.439 22.818
75 H ILE 16 H ILE 16 18.645 19.218 24.368
76 HA ILE 16 HA ILE 16 17.597 19.701 26.287
77 HB ILE 16 HB ILE 16 20.310 20.172 27.574
78 H GLY 17 H GLY 17 20.212 22.131 25.935
79 HA2 GLY 17 HA2 GLY 17 18.278 24.214 25.528
80 HA3 GLY 17 HA3 GLY 17 18.899 24.306 27.180
81 H THR 18 H THR 18 21.592 23.373 26.493
82 HA THR 18 HA THR 18 22.570 25.623 24.767
83 HB THR 18 HB THR 18 24.010 24.775 27.302
84 HG1 THR 18 HG1 THR 18 23.182 26.806 28.108
85 H CYS 19 H CYS 19 23.489 22.526 26.368
86 HA CYS 19 HA CYS 19 24.876 21.465 24.085
87 HB2 CYS 19 HB2 CYS 19 26.367 23.447 24.936
88 HB3 CYS 19 HB3 CYS 19 26.569 22.537 26.405
89 H VAL 20 H VAL 20 25.664 19.283 24.645
90 HA VAL 20 HA VAL 20 25.846 18.607 27.493
91 HB VAL 20 HB VAL 20 23.450 18.068 26.621
92 H ASP 21 H ASP 21 27.144 16.675 27.864
93 HA ASP 21 HA ASP 21 29.200 15.720 27.514
94 HB2 ASP 21 HB2 ASP 21 27.608 14.759 25.109
95 HB3 ASP 21 HB3 ASP 21 29.117 14.042 25.653
96 H GLY 22 H GLY 22 29.151 18.460 26.416
97 HA2 GLY 22 HA2 GLY 22 30.540 19.830 25.181
98 HA3 GLY 22 HA3 GLY 22 31.646 18.456 24.995
99 H LYS 23 H LYS 23 28.363 18.033 23.839
100 HA LYS 23 HA LYS 23 29.166 18.604 21.032
101 HB2 LYS 23 HB2 LYS 23 29.520 16.196 22.055
102 HB3 LYS 23 HB3 LYS 23 27.776 16.030 21.850
103 HG2 LYS 23 HG2 LYS 23 28.029 16.358 19.425
104 HG3 LYS 23 HG3 LYS 23 29.727 16.844 19.619
105 HD2 LYS 23 HD2 LYS 23 30.220 14.598 20.594
106 HD3 LYS 23 HD3 LYS 23 28.563 14.075 20.238
107 HE2 LYS 23 HE2 LYS 23 29.003 14.368 17.823
108 HE3 LYS 23 HE3 LYS 23 30.580 15.067 18.158
109 HZ1 LYS 23 HZ1 LYS 23 31.320 12.978 19.091
110 HZ2 LYS 23 HZ2 LYS 23 30.722 12.677 17.598
111 HZ3 LYS 23 HZ3 LYS 23 29.849 12.287 18.880
112 H CYS 24 H CYS 24 27.657 19.663 19.945
113 HA CYS 24 HA CYS 24 25.004 20.095 21.145
114 HB2 CYS 24 HB2 CYS 24 26.801 21.471 19.298
115 HB3 CYS 24 HB3 CYS 24 25.186 21.368 18.638
116 H LYS 25 H LYS 25 23.142 19.136 20.508
117 HA LYS 25 HA LYS 25 22.918 17.891 17.803
118 HB2 LYS 25 HB2 LYS 25 23.112 16.443 20.404
119 HB3 LYS 25 HB3 LYS 25 21.700 16.010 19.449
120 HG2 LYS 25 HG2 LYS 25 23.116 15.451 17.515
121 HG3 LYS 25 HG3 LYS 25 24.572 15.880 18.443
122 HD2 LYS 25 HD2 LYS 25 24.066 14.150 20.107
123 HD3 LYS 25 HD3 LYS 25 22.546 13.756 19.282
124 HE2 LYS 25 HE2 LYS 25 23.763 12.970 17.305
125 HE3 LYS 25 HE3 LYS 25 25.304 13.463 18.024
126 HZ1 LYS 25 HZ1 LYS 25 23.498 11.390 19.164
127 HZ2 LYS 25 HZ2 LYS 25 24.923 11.855 19.823
128 HZ3 LYS 25 HZ3 LYS 25 24.894 11.066 18.411
129 H CYS 26 H CYS 26 20.955 18.256 16.929
130 HA CYS 26 HA CYS 26 18.917 19.772 18.363
131 HB2 CYS 26 HB2 CYS 26 19.123 20.180 16.000
132 HB3 CYS 26 HB3 CYS 26 19.107 18.465 15.635
133 H MET 27 H MET 27 16.989 19.085 19.201
134 HA MET 27 HA MET 27 16.734 16.420 20.159
135 HB2 MET 27 HB2 MET 27 15.744 18.487 21.205
136 HB3 MET 27 HB3 MET 27 14.524 18.502 19.919
137 HG2 MET 27 HG2 MET 27 13.786 16.234 20.598
138 HG3 MET 27 HG3 MET 27 15.062 16.188 21.828
139 HE1 MET 27 HE1 MET 27 13.458 15.524 23.753
140 HE2 MET 27 HE2 MET 27 11.885 16.298 24.038
141 HE3 MET 27 HE3 MET 27 12.174 15.406 22.529
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 28.935 18.295 21.576
2 H2 ALA 1 H2 ALA 1 29.473 16.961 20.806
3 H3 ALA 1 H3 ALA 1 27.864 17.108 21.025
4 HA ALA 1 HA ALA 1 29.623 18.737 19.345
5 HB1 ALA 1 HB1 ALA 1 29.041 16.460 18.431
6 HB2 ALA 1 HB2 ALA 1 27.334 16.972 18.409
7 HB3 ALA 1 HB3 ALA 1 28.537 17.824 17.427
8 H CYS 2 H CYS 2 26.572 18.779 21.130
9 HA CYS 2 HA CYS 2 25.691 21.098 19.514
10 HB2 CYS 2 HB2 CYS 2 23.904 20.283 21.637
11 HB3 CYS 2 HB3 CYS 2 23.620 20.532 19.942
12 H VAL 3 H VAL 3 26.207 23.058 20.217
13 HA VAL 3 HA VAL 3 27.039 23.500 23.022
14 HB VAL 3 HB VAL 3 26.898 25.455 20.692
15 H THR 4 H THR 4 24.296 24.157 20.907
16 HA THR 4 HA THR 4 22.577 24.937 23.139
17 HB THR 4 HB THR 4 22.231 27.032 21.183
18 HG1 THR 4 HG1 THR 4 24.413 26.685 20.629
19 H HIS 5 H HIS 5 20.397 25.842 22.005
20 HA HIS 5 HA HIS 5 19.419 23.676 20.389
21 HB2 HIS 5 HB2 HIS 5 17.322 24.911 20.333
22 HB3 HIS 5 HB3 HIS 5 17.972 24.789 21.965
23 HD2 HIS 5 HD2 HIS 5 18.275 27.052 23.306
24 HE1 HIS 5 HE1 HIS 5 17.383 29.794 20.168
25 HE2 HIS 5 HE2 HIS 5 17.821 29.563 22.663
26 H GLU 6 H GLU 6 20.354 27.006 19.507
27 HA GLU 6 HA GLU 6 19.655 26.944 16.794
28 HB2 GLU 6 HB2 GLU 6 20.399 28.904 17.991
29 HB3 GLU 6 HB3 GLU 6 22.024 28.252 18.212
30 HG2 GLU 6 HG2 GLU 6 20.757 28.827 15.496
31 HG3 GLU 6 HG3 GLU 6 21.651 30.030 16.404
32 H ASP 7 H ASP 7 22.490 25.479 18.386
33 HA ASP 7 HA ASP 7 23.891 24.773 16.023
34 HB2 ASP 7 HB2 ASP 7 23.905 23.368 18.733
35 HB3 ASP 7 HB3 ASP 7 25.098 23.173 17.450
36 H CYS 8 H CYS 8 20.954 23.583 17.185
37 HA CYS 8 HA CYS 8 21.085 21.182 15.424
38 HB2 CYS 8 HB2 CYS 8 19.433 21.715 17.930
39 HB3 CYS 8 HB3 CYS 8 19.393 20.251 16.975
40 H THR 9 H THR 9 20.393 24.064 14.753
41 HA THR 9 HA THR 9 17.716 24.585 14.433
42 HB THR 9 HB THR 9 19.936 25.082 12.419
43 HG1 THR 9 HG1 THR 9 20.203 26.169 14.362
44 H LEU 10 H LEU 10 19.623 22.447 12.307
45 HA LEU 10 HA LEU 10 17.520 21.762 10.524
46 HB2 LEU 10 HB2 LEU 10 19.940 21.515 10.154
47 HB3 LEU 10 HB3 LEU 10 20.032 20.218 11.333
48 HG LEU 10 HG LEU 10 18.144 19.940 8.973
49 H LEU 11 H LEU 11 18.262 20.496 13.754
50 HA LEU 11 HA LEU 11 16.623 18.117 13.333
51 HB2 LEU 11 HB2 LEU 11 17.888 19.211 15.867
52 HB3 LEU 11 HB3 LEU 11 16.958 17.737 15.761
53 HG LEU 11 HG LEU 11 19.145 17.011 15.778
54 H CYS 12 H CYS 12 14.636 17.704 14.107
55 HA CYS 12 HA CYS 12 12.834 19.875 14.077
56 HB2 CYS 12 HB2 CYS 12 11.988 17.187 15.117
57 HB3 CYS 12 HB3 CYS 12 11.200 18.264 13.982
58 H TYR 13 H TYR 13 13.518 17.581 16.767
59 HA TYR 13 HA TYR 13 13.316 19.739 18.762
60 HB2 TYR 13 HB2 TYR 13 11.257 17.569 18.332
61 HB3 TYR 13 HB3 TYR 13 11.651 17.970 19.982
62 HD1 TYR 13 HD1 TYR 13 11.868 20.620 20.455
63 HD2 TYR 13 HD2 TYR 13 9.301 18.716 17.561
64 HE1 TYR 13 HE1 TYR 13 10.282 22.549 20.577
65 HE2 TYR 13 HE2 TYR 13 7.720 20.634 17.703
66 HH TYR 13 HH TYR 13 7.234 22.667 18.745
67 H ASP 14 H ASP 14 15.423 18.013 17.733
68 HA ASP 14 HA ASP 14 16.866 16.309 18.277
69 HB2 ASP 14 HB2 ASP 14 18.328 16.934 19.961
70 HB3 ASP 14 HB3 ASP 14 17.664 18.421 19.297
71 H THR 15 H THR 15 17.320 15.543 21.238
72 HA THR 15 HA THR 15 15.463 13.212 20.963
73 HB THR 15 HB THR 15 18.197 13.324 22.221
74 HG1 THR 15 HG1 THR 15 17.399 13.066 19.814
75 H ILE 16 H ILE 16 16.585 15.659 23.323
76 HA ILE 16 HA ILE 16 14.258 14.771 25.000
77 HB ILE 16 HB ILE 16 17.010 15.536 25.995
78 H GLY 17 H GLY 17 16.458 17.493 24.321
79 HA2 GLY 17 HA2 GLY 17 14.482 19.278 23.663
80 HA3 GLY 17 HA3 GLY 17 14.673 19.510 25.414
81 H THR 18 H THR 18 17.436 18.592 23.514
82 HA THR 18 HA THR 18 18.429 21.063 22.778
83 HB THR 18 HB THR 18 20.494 21.148 24.285
84 HG1 THR 18 HG1 THR 18 20.101 20.457 26.436
85 H CYS 19 H CYS 19 19.789 18.137 24.339
86 HA CYS 19 HA CYS 19 21.057 17.111 21.907
87 HB2 CYS 19 HB2 CYS 19 22.390 19.197 22.656
88 HB3 CYS 19 HB3 CYS 19 22.727 18.350 24.144
89 H VAL 20 H VAL 20 21.990 15.001 22.345
90 HA VAL 20 HA VAL 20 22.167 14.092 25.172
91 HB VAL 20 HB VAL 20 20.530 12.666 23.022
92 H ASP 21 H ASP 21 23.734 12.451 25.449
93 HA ASP 21 HA ASP 21 25.764 11.523 25.009
94 HB2 ASP 21 HB2 ASP 21 24.236 10.528 22.577
95 HB3 ASP 21 HB3 ASP 21 25.802 9.917 23.107
96 H GLY 22 H GLY 22 25.562 14.236 24.185
97 HA2 GLY 22 HA2 GLY 22 26.811 15.826 23.091
98 HA3 GLY 22 HA3 GLY 22 28.009 14.557 22.775
99 H LYS 23 H LYS 23 24.785 14.005 21.506
100 HA LYS 23 HA LYS 23 25.484 15.107 18.836
101 HB2 LYS 23 HB2 LYS 23 24.919 13.024 17.740
102 HB3 LYS 23 HB3 LYS 23 26.255 12.766 18.865
103 HG2 LYS 23 HG2 LYS 23 24.639 11.788 20.516
104 HG3 LYS 23 HG3 LYS 23 23.328 12.039 19.365
105 HD2 LYS 23 HD2 LYS 23 23.944 9.743 19.255
106 HD3 LYS 23 HD3 LYS 23 24.445 10.517 17.756
107 HE2 LYS 23 HE2 LYS 23 26.160 8.967 18.506
108 HE3 LYS 23 HE3 LYS 23 26.789 10.618 18.576
109 HZ1 LYS 23 HZ1 LYS 23 26.480 10.622 20.948
110 HZ2 LYS 23 HZ2 LYS 23 27.329 9.300 20.525
111 HZ3 LYS 23 HZ3 LYS 23 25.743 9.135 20.924
112 H CYS 24 H CYS 24 23.739 15.823 17.687
113 HA CYS 24 HA CYS 24 21.172 15.954 19.204
114 HB2 CYS 24 HB2 CYS 24 22.663 17.820 17.676
115 HB3 CYS 24 HB3 CYS 24 21.256 17.430 16.701
116 H LYS 25 H LYS 25 19.350 14.884 18.468
117 HA LYS 25 HA LYS 25 19.335 13.773 15.705
118 HB2 LYS 25 HB2 LYS 25 20.413 12.157 17.416
119 HB3 LYS 25 HB3 LYS 25 18.827 11.938 18.089
120 HG2 LYS 25 HG2 LYS 25 18.880 11.559 15.141
121 HG3 LYS 25 HG3 LYS 25 20.064 10.561 15.976
122 HD2 LYS 25 HD2 LYS 25 18.194 9.175 15.784
123 HD3 LYS 25 HD3 LYS 25 18.150 9.697 17.471
124 HE2 LYS 25 HE2 LYS 25 16.484 11.434 16.887
125 HE3 LYS 25 HE3 LYS 25 16.624 11.002 15.172
126 HZ1 LYS 25 HZ1 LYS 25 15.616 8.851 15.713
127 HZ2 LYS 25 HZ2 LYS 25 14.623 10.099 16.074
128 HZ3 LYS 25 HZ3 LYS 25 15.428 9.320 17.293
129 H CYS 26 H CYS 26 17.407 14.244 14.833
130 HA CYS 26 HA CYS 26 15.208 15.310 16.396
131 HB2 CYS 26 HB2 CYS 26 15.451 16.167 14.175
132 HB3 CYS 26 HB3 CYS 26 15.595 14.555 13.480
133 H MET 27 H MET 27 13.504 14.320 17.263
134 HA MET 27 HA MET 27 13.099 11.749 17.791
135 HB2 MET 27 HB2 MET 27 10.790 13.584 17.065
136 HB3 MET 27 HB3 MET 27 10.748 12.166 18.115
137 HG2 MET 27 HG2 MET 27 12.507 13.408 19.564
138 HG3 MET 27 HG3 MET 27 12.092 14.838 18.617
139 HE1 MET 27 HE1 MET 27 10.613 11.957 20.871
140 HE2 MET 27 HE2 MET 27 11.600 13.111 21.796
141 HE3 MET 27 HE3 MET 27 9.857 12.988 22.112
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 29.170 18.193 21.969
2 H2 ALA 1 H2 ALA 1 29.739 16.841 21.269
3 H3 ALA 1 H3 ALA 1 28.128 16.972 21.444
4 HA ALA 1 HA ALA 1 29.862 18.617 19.757
5 HB1 ALA 1 HB1 ALA 1 28.960 17.543 17.846
6 HB2 ALA 1 HB2 ALA 1 29.493 16.269 18.947
7 HB3 ALA 1 HB3 ALA 1 27.758 16.664 18.793
8 H CYS 2 H CYS 2 27.013 18.795 21.668
9 HA CYS 2 HA CYS 2 25.938 20.910 19.875
10 HB2 CYS 2 HB2 CYS 2 24.014 20.095 21.814
11 HB3 CYS 2 HB3 CYS 2 23.942 20.128 20.082
12 H VAL 3 H VAL 3 26.522 22.832 20.558
13 HA VAL 3 HA VAL 3 27.205 23.342 23.367
14 HB VAL 3 HB VAL 3 27.082 25.253 21.000
15 H THR 4 H THR 4 24.454 23.902 21.240
16 HA THR 4 HA THR 4 22.729 24.721 23.450
17 HB THR 4 HB THR 4 22.492 26.724 21.308
18 HG1 THR 4 HG1 THR 4 24.653 26.545 21.110
19 H HIS 5 H HIS 5 20.552 25.627 22.235
20 HA HIS 5 HA HIS 5 19.567 23.379 20.707
21 HB2 HIS 5 HB2 HIS 5 17.504 24.823 20.548
22 HB3 HIS 5 HB3 HIS 5 18.040 24.384 22.157
23 HD2 HIS 5 HD2 HIS 5 16.388 26.446 22.882
24 HE1 HIS 5 HE1 HIS 5 19.164 29.535 21.916
25 HE2 HIS 5 HE2 HIS 5 16.983 28.979 23.152
26 H GLU 6 H GLU 6 20.413 26.734 19.792
27 HA GLU 6 HA GLU 6 19.789 26.634 17.065
28 HB2 GLU 6 HB2 GLU 6 20.585 28.638 18.272
29 HB3 GLU 6 HB3 GLU 6 22.190 27.922 18.425
30 HG2 GLU 6 HG2 GLU 6 22.435 27.950 15.934
31 HG3 GLU 6 HG3 GLU 6 20.820 28.671 15.802
32 H ASP 7 H ASP 7 22.602 25.213 18.706
33 HA ASP 7 HA ASP 7 24.045 24.561 16.317
34 HB2 ASP 7 HB2 ASP 7 24.251 23.356 19.100
35 HB3 ASP 7 HB3 ASP 7 25.428 23.186 17.798
36 H CYS 8 H CYS 8 21.160 23.333 17.465
37 HA CYS 8 HA CYS 8 21.368 20.894 15.768
38 HB2 CYS 8 HB2 CYS 8 19.689 21.401 18.263
39 HB3 CYS 8 HB3 CYS 8 19.695 19.929 17.313
40 H THR 9 H THR 9 20.564 23.776 15.101
41 HA THR 9 HA THR 9 17.832 24.116 14.850
42 HB THR 9 HB THR 9 19.996 24.920 12.870
43 HG1 THR 9 HG1 THR 9 20.240 25.878 14.843
44 H LEU 10 H LEU 10 19.797 21.986 12.820
45 HA LEU 10 HA LEU 10 17.696 21.398 10.920
46 HB2 LEU 10 HB2 LEU 10 20.104 21.154 10.498
47 HB3 LEU 10 HB3 LEU 10 20.231 19.866 11.685
48 HG LEU 10 HG LEU 10 18.292 19.553 9.375
49 H LEU 11 H LEU 11 18.422 20.203 14.149
50 HA LEU 11 HA LEU 11 16.873 17.745 13.746
51 HB2 LEU 11 HB2 LEU 11 18.224 18.829 16.241
52 HB3 LEU 11 HB3 LEU 11 17.312 17.344 16.153
53 HG LEU 11 HG LEU 11 19.507 16.655 16.104
54 H CYS 12 H CYS 12 14.869 17.446 14.226
55 HA CYS 12 HA CYS 12 13.095 19.495 14.458
56 HB2 CYS 12 HB2 CYS 12 12.210 16.865 15.579
57 HB3 CYS 12 HB3 CYS 12 11.470 17.904 14.381
58 H TYR 13 H TYR 13 13.872 17.284 17.187
59 HA TYR 13 HA TYR 13 13.760 19.505 19.096
60 HB2 TYR 13 HB2 TYR 13 11.556 17.438 18.839
61 HB3 TYR 13 HB3 TYR 13 11.969 18.007 20.437
62 HD1 TYR 13 HD2 TYR 13 12.241 20.610 20.747
63 HD2 TYR 13 HD1 TYR 13 9.808 18.675 17.759
64 HE1 TYR 13 HE2 TYR 13 10.807 22.635 20.608
65 HE2 TYR 13 HE1 TYR 13 8.375 20.706 17.616
66 HH TYR 13 HH TYR 13 8.929 23.548 19.715
67 H ASP 14 H ASP 14 15.799 17.712 18.182
68 HA ASP 14 HA ASP 14 17.200 15.986 18.778
69 HB2 ASP 14 HB2 ASP 14 18.652 16.706 20.367
70 HB3 ASP 14 HB3 ASP 14 17.838 18.204 19.925
71 H THR 15 H THR 15 17.800 15.045 21.524
72 HA THR 15 HA THR 15 15.777 12.864 21.507
73 HB THR 15 HB THR 15 18.352 13.082 23.074
74 HG1 THR 15 HG1 THR 15 17.804 12.585 20.564
75 H ILE 16 H ILE 16 17.248 14.961 24.087
76 HA ILE 16 HA ILE 16 14.730 14.524 25.643
77 HB ILE 16 HB ILE 16 17.369 15.747 26.538
78 H GLY 17 H GLY 17 16.890 17.366 25.352
79 HA2 GLY 17 HA2 GLY 17 14.873 19.001 24.060
80 HA3 GLY 17 HA3 GLY 17 15.033 19.362 25.784
81 H THR 18 H THR 18 17.828 18.313 23.956
82 HA THR 18 HA THR 18 18.890 20.859 23.265
83 HB THR 18 HB THR 18 20.883 20.781 24.853
84 HG1 THR 18 HG1 THR 18 20.871 19.589 26.551
85 H CYS 19 H CYS 19 20.141 17.825 24.698
86 HA CYS 19 HA CYS 19 21.479 16.888 22.273
87 HB2 CYS 19 HB2 CYS 19 22.774 18.945 23.201
88 HB3 CYS 19 HB3 CYS 19 23.069 17.995 24.637
89 H VAL 20 H VAL 20 22.465 14.747 22.722
90 HA VAL 20 HA VAL 20 22.484 13.836 25.529
91 HB VAL 20 HB VAL 20 20.231 13.208 24.506
92 H ASP 21 H ASP 21 24.010 12.115 25.865
93 HA ASP 21 HA ASP 21 26.153 11.341 25.543
94 HB2 ASP 21 HB2 ASP 21 24.792 10.383 22.997
95 HB3 ASP 21 HB3 ASP 21 26.313 9.758 23.629
96 H GLY 22 H GLY 22 25.774 14.117 24.533
97 HA2 GLY 22 HA2 GLY 22 27.113 15.703 23.507
98 HA3 GLY 22 HA3 GLY 22 28.331 14.444 23.226
99 H LYS 23 H LYS 23 25.152 13.796 21.963
100 HA LYS 23 HA LYS 23 25.799 14.805 19.235
101 HB2 LYS 23 HB2 LYS 23 24.959 12.544 18.394
102 HB3 LYS 23 HB3 LYS 23 26.573 12.576 19.102
103 HG2 LYS 23 HG2 LYS 23 25.824 11.578 21.142
104 HG3 LYS 23 HG3 LYS 23 24.125 11.712 20.691
105 HD2 LYS 23 HD2 LYS 23 25.977 10.024 19.005
106 HD3 LYS 23 HD3 LYS 23 25.385 9.438 20.568
107 HE2 LYS 23 HE2 LYS 23 23.035 9.999 19.841
108 HE3 LYS 23 HE3 LYS 23 23.667 10.335 18.219
109 HZ1 LYS 23 HZ1 LYS 23 24.483 8.020 18.160
110 HZ2 LYS 23 HZ2 LYS 23 22.865 8.054 18.374
111 HZ3 LYS 23 HZ3 LYS 23 23.854 7.720 19.633
112 H CYS 24 H CYS 24 24.117 15.725 18.254
113 HA CYS 24 HA CYS 24 21.489 15.688 19.606
114 HB2 CYS 24 HB2 CYS 24 22.986 17.566 18.098
115 HB3 CYS 24 HB3 CYS 24 21.600 17.165 17.099
116 H LYS 25 H LYS 25 19.710 14.614 18.875
117 HA LYS 25 HA LYS 25 19.687 13.403 16.146
118 HB2 LYS 25 HB2 LYS 25 20.800 11.910 17.949
119 HB3 LYS 25 HB3 LYS 25 19.225 11.767 18.678
120 HG2 LYS 25 HG2 LYS 25 20.135 10.753 15.951
121 HG3 LYS 25 HG3 LYS 25 19.699 9.807 17.388
122 HD2 LYS 25 HD2 LYS 25 17.361 10.866 17.164
123 HD3 LYS 25 HD3 LYS 25 17.897 11.363 15.543
124 HE2 LYS 25 HE2 LYS 25 18.344 8.885 15.085
125 HE3 LYS 25 HE3 LYS 25 17.506 8.563 16.620
126 HZ1 LYS 25 HZ1 LYS 25 16.403 9.687 14.125
127 HZ2 LYS 25 HZ2 LYS 25 15.669 10.073 15.548
128 HZ3 LYS 25 HZ3 LYS 25 15.755 8.525 15.087
129 H CYS 26 H CYS 26 17.723 13.873 15.270
130 HA CYS 26 HA CYS 26 15.515 14.915 16.853
131 HB2 CYS 26 HB2 CYS 26 15.709 15.752 14.623
132 HB3 CYS 26 HB3 CYS 26 15.820 14.132 13.935
133 H MET 27 H MET 27 13.668 13.943 17.522
134 HA MET 27 HA MET 27 13.473 11.308 18.232
135 HB2 MET 27 HB2 MET 27 11.090 11.740 18.574
136 HB3 MET 27 HB3 MET 27 12.094 13.087 19.107
137 HG2 MET 27 HG2 MET 27 11.557 14.114 16.747
138 HG3 MET 27 HG3 MET 27 10.252 12.933 16.718
139 HE1 MET 27 HE1 MET 27 9.554 15.851 16.252
140 HE2 MET 27 HE2 MET 27 8.319 14.593 16.472
141 HE3 MET 27 HE3 MET 27 8.198 16.118 17.369
Start of MODEL 9
1 H1 ALA 1 H1 ALA 1 28.957 19.042 21.965
2 H2 ALA 1 H2 ALA 1 29.584 17.720 21.294
3 H3 ALA 1 H3 ALA 1 27.968 17.793 21.453
4 HA ALA 1 HA ALA 1 29.668 19.453 19.762
5 HB1 ALA 1 HB1 ALA 1 29.273 17.036 19.021
6 HB2 ALA 1 HB2 ALA 1 27.577 17.500 18.765
7 HB3 ALA 1 HB3 ALA 1 28.873 18.303 17.865
8 H CYS 2 H CYS 2 27.081 19.891 21.761
9 HA CYS 2 HA CYS 2 25.888 21.870 19.912
10 HB2 CYS 2 HB2 CYS 2 23.933 21.199 21.847
11 HB3 CYS 2 HB3 CYS 2 23.884 21.111 20.117
12 H VAL 3 H VAL 3 26.556 23.800 20.572
13 HA VAL 3 HA VAL 3 27.262 24.242 23.395
14 HB VAL 3 HB VAL 3 27.334 26.250 21.110
15 H THR 4 H THR 4 24.632 25.008 21.197
16 HA THR 4 HA THR 4 22.961 26.015 23.405
17 HB THR 4 HB THR 4 22.704 27.885 21.213
18 HG1 THR 4 HG1 THR 4 24.862 27.375 20.702
19 H HIS 5 H HIS 5 20.859 26.975 22.182
20 HA HIS 5 HA HIS 5 19.538 24.758 20.869
21 HB2 HIS 5 HB2 HIS 5 17.677 26.436 20.673
22 HB3 HIS 5 HB3 HIS 5 18.281 26.236 22.315
23 HD2 HIS 5 HD2 HIS 5 19.629 28.342 23.426
24 HE1 HIS 5 HE1 HIS 5 19.003 31.130 20.266
25 HE2 HIS 5 HE2 HIS 5 19.949 30.838 22.590
26 H GLU 6 H GLU 6 20.651 27.978 19.680
27 HA GLU 6 HA GLU 6 19.901 27.612 17.027
28 HB2 GLU 6 HB2 GLU 6 20.889 29.728 18.173
29 HB3 GLU 6 HB3 GLU 6 22.469 29.056 17.736
30 HG2 GLU 6 HG2 GLU 6 21.505 28.875 15.319
31 HG3 GLU 6 HG3 GLU 6 20.181 29.877 15.896
32 H ASP 7 H ASP 7 22.784 26.268 18.654
33 HA ASP 7 HA ASP 7 24.224 25.369 16.417
34 HB2 ASP 7 HB2 ASP 7 23.802 23.870 19.038
35 HB3 ASP 7 HB3 ASP 7 25.017 23.511 17.836
36 H CYS 8 H CYS 8 21.161 24.306 17.596
37 HA CYS 8 HA CYS 8 21.221 21.893 15.858
38 HB2 CYS 8 HB2 CYS 8 19.551 22.501 18.326
39 HB3 CYS 8 HB3 CYS 8 19.566 20.991 17.424
40 H THR 9 H THR 9 20.626 24.753 15.048
41 HA THR 9 HA THR 9 17.914 25.211 14.642
42 HB THR 9 HB THR 9 20.244 25.877 12.809
43 HG1 THR 9 HG1 THR 9 20.387 26.882 14.753
44 H LEU 10 H LEU 10 19.860 22.873 12.891
45 HA LEU 10 HA LEU 10 17.883 22.342 10.817
46 HB2 LEU 10 HB2 LEU 10 20.313 21.974 10.624
47 HB3 LEU 10 HB3 LEU 10 20.264 20.722 11.850
48 HG LEU 10 HG LEU 10 18.562 20.446 9.349
49 H LEU 11 H LEU 11 18.280 21.346 14.160
50 HA LEU 11 HA LEU 11 16.622 18.946 13.775
51 HB2 LEU 11 HB2 LEU 11 17.988 20.006 16.273
52 HB3 LEU 11 HB3 LEU 11 16.981 18.582 16.196
53 HG LEU 11 HG LEU 11 19.107 17.726 16.207
54 H CYS 12 H CYS 12 14.594 18.767 14.311
55 HA CYS 12 HA CYS 12 13.031 21.049 14.420
56 HB2 CYS 12 HB2 CYS 12 11.696 18.576 15.345
57 HB3 CYS 12 HB3 CYS 12 11.329 19.656 14.019
58 H TYR 13 H TYR 13 13.573 18.744 17.107
59 HA TYR 13 HA TYR 13 13.139 20.957 19.017
60 HB2 TYR 13 HB2 TYR 13 11.278 18.652 18.608
61 HB3 TYR 13 HB3 TYR 13 11.705 18.967 20.273
62 HD1 TYR 13 HD2 TYR 13 11.440 21.301 21.239
63 HD2 TYR 13 HD1 TYR 13 9.662 20.087 17.504
64 HE1 TYR 13 HE2 TYR 13 9.890 23.243 21.350
65 HE2 TYR 13 HE1 TYR 13 8.104 22.021 17.618
66 HH TYR 13 HH TYR 13 8.194 24.353 20.328
67 H ASP 14 H ASP 14 15.262 18.833 18.029
68 HA ASP 14 HA ASP 14 16.835 17.444 18.892
69 HB2 ASP 14 HB2 ASP 14 18.197 18.804 19.912
70 HB3 ASP 14 HB3 ASP 14 16.894 19.902 20.337
71 H THR 15 H THR 15 17.491 16.286 21.191
72 HA THR 15 HA THR 15 15.479 14.295 21.722
73 HB THR 15 HB THR 15 17.115 13.565 23.463
74 HG1 THR 15 HG1 THR 15 18.373 16.035 22.719
75 H ILE 16 H ILE 16 17.005 16.229 24.304
76 HA ILE 16 HA ILE 16 14.436 16.184 25.769
77 HB ILE 16 HB ILE 16 17.181 17.171 26.643
78 H GLY 17 H GLY 17 16.827 18.817 25.307
79 HA2 GLY 17 HA2 GLY 17 14.814 20.634 24.282
80 HA3 GLY 17 HA3 GLY 17 15.269 21.032 25.946
81 H THR 18 H THR 18 18.110 20.194 25.570
82 HA THR 18 HA THR 18 19.026 22.379 23.734
83 HB THR 18 HB THR 18 21.032 22.475 25.248
84 HG1 THR 18 HG1 THR 18 20.805 21.581 27.282
85 H CYS 19 H CYS 19 20.187 19.316 25.215
86 HA CYS 19 HA CYS 19 21.177 18.242 22.689
87 HB2 CYS 19 HB2 CYS 19 22.744 20.177 23.381
88 HB3 CYS 19 HB3 CYS 19 23.055 19.303 24.854
89 H VAL 20 H VAL 20 21.968 16.003 23.087
90 HA VAL 20 HA VAL 20 22.385 15.257 25.890
91 HB VAL 20 HB VAL 20 19.959 14.681 25.236
92 H ASP 21 H ASP 21 23.769 13.462 26.177
93 HA ASP 21 HA ASP 21 25.713 12.362 25.651
94 HB2 ASP 21 HB2 ASP 21 24.217 11.720 23.116
95 HB3 ASP 21 HB3 ASP 21 25.694 10.959 23.601
96 H GLY 22 H GLY 22 25.361 15.242 24.642
97 HA2 GLY 22 HA2 GLY 22 26.768 16.784 23.622
98 HA3 GLY 22 HA3 GLY 22 27.963 15.504 23.345
99 H LYS 23 H LYS 23 24.678 15.004 22.169
100 HA LYS 23 HA LYS 23 25.408 15.759 19.381
101 HB2 LYS 23 HB2 LYS 23 26.074 13.361 20.298
102 HB3 LYS 23 HB3 LYS 23 24.372 12.990 20.116
103 HG2 LYS 23 HG2 LYS 23 24.540 13.382 17.687
104 HG3 LYS 23 HG3 LYS 23 26.189 14.006 17.883
105 HD2 LYS 23 HD2 LYS 23 26.925 11.785 18.777
106 HD3 LYS 23 HD3 LYS 23 25.294 11.149 18.488
107 HE2 LYS 23 HE2 LYS 23 25.528 11.568 16.083
108 HE3 LYS 23 HE3 LYS 23 27.107 12.310 16.329
109 HZ1 LYS 23 HZ1 LYS 23 26.504 9.436 16.901
110 HZ2 LYS 23 HZ2 LYS 23 27.995 10.137 16.981
111 HZ3 LYS 23 HZ3 LYS 23 27.215 9.988 15.568
112 H CYS 24 H CYS 24 23.721 16.958 18.633
113 HA CYS 24 HA CYS 24 21.074 16.804 19.846
114 HB2 CYS 24 HB2 CYS 24 22.537 18.559 17.997
115 HB3 CYS 24 HB3 CYS 24 20.880 18.289 17.480
116 H LYS 25 H LYS 25 19.202 15.916 19.046
117 HA LYS 25 HA LYS 25 19.179 14.651 16.354
118 HB2 LYS 25 HB2 LYS 25 20.153 13.020 17.963
119 HB3 LYS 25 HB3 LYS 25 18.696 13.128 18.944
120 HG2 LYS 25 HG2 LYS 25 17.357 12.136 17.122
121 HG3 LYS 25 HG3 LYS 25 18.779 12.161 16.064
122 HD2 LYS 25 HD2 LYS 25 18.542 9.918 16.896
123 HD3 LYS 25 HD3 LYS 25 19.965 10.634 17.663
124 HE2 LYS 25 HE2 LYS 25 18.427 11.179 19.665
125 HE3 LYS 25 HE3 LYS 25 17.200 10.191 18.875
126 HZ1 LYS 25 HZ1 LYS 25 18.775 8.310 18.986
127 HZ2 LYS 25 HZ2 LYS 25 18.491 8.893 20.485
128 HZ3 LYS 25 HZ3 LYS 25 19.882 9.262 19.768
129 H CYS 26 H CYS 26 17.236 15.028 15.400
130 HA CYS 26 HA CYS 26 15.117 16.365 16.913
131 HB2 CYS 26 HB2 CYS 26 15.405 17.104 14.652
132 HB3 CYS 26 HB3 CYS 26 15.353 15.457 14.022
133 H MET 27 H MET 27 13.289 15.564 17.678
134 HA MET 27 HA MET 27 11.757 14.142 18.474
135 HB2 MET 27 HB2 MET 27 11.422 14.036 15.841
136 HB3 MET 27 HB3 MET 27 11.909 12.365 16.040
137 HG2 MET 27 HG2 MET 27 9.604 13.761 17.463
138 HG3 MET 27 HG3 MET 27 9.468 12.766 16.021
139 HE1 MET 27 HE1 MET 27 7.576 10.406 18.307
140 HE2 MET 27 HE2 MET 27 7.440 12.166 18.094
141 HE3 MET 27 HE3 MET 27 7.714 11.118 16.687
Start of MODEL 10
1 H1 ALA 1 H1 ALA 1 28.807 19.760 21.732
2 H2 ALA 1 H2 ALA 1 29.625 18.452 21.173
3 H3 ALA 1 H3 ALA 1 28.004 18.493 21.009
4 HA ALA 1 HA ALA 1 29.968 20.170 19.662
5 HB1 ALA 1 HB1 ALA 1 28.020 18.262 18.349
6 HB2 ALA 1 HB2 ALA 1 29.390 19.118 17.625
7 HB3 ALA 1 HB3 ALA 1 29.687 17.819 18.791
8 H CYS 2 H CYS 2 26.941 20.473 21.136
9 HA CYS 2 HA CYS 2 26.050 22.480 19.116
10 HB2 CYS 2 HB2 CYS 2 24.332 21.960 21.448
11 HB3 CYS 2 HB3 CYS 2 23.933 22.203 19.773
12 H VAL 3 H VAL 3 26.697 24.518 19.545
13 HA VAL 3 HA VAL 3 27.721 25.226 22.208
14 HB VAL 3 HB VAL 3 27.267 27.070 19.841
15 H THR 4 H THR 4 24.773 26.024 20.301
16 HA THR 4 HA THR 4 23.226 26.390 22.758
17 HB THR 4 HB THR 4 22.364 28.619 22.027
18 HG1 THR 4 HG1 THR 4 24.280 28.256 20.029
19 H HIS 5 H HIS 5 20.905 27.311 21.953
20 HA HIS 5 HA HIS 5 19.715 25.317 20.337
21 HB2 HIS 5 HB2 HIS 5 18.641 28.136 20.777
22 HB3 HIS 5 HB3 HIS 5 17.712 26.655 20.496
23 HD2 HIS 5 HD2 HIS 5 17.191 25.125 22.638
24 HE1 HIS 5 HE1 HIS 5 19.301 27.407 25.562
25 HE2 HIS 5 HE2 HIS 5 17.800 25.403 25.182
26 H GLU 6 H GLU 6 20.974 28.477 19.442
27 HA GLU 6 HA GLU 6 20.035 28.795 16.804
28 HB2 GLU 6 HB2 GLU 6 21.082 30.487 18.242
29 HB3 GLU 6 HB3 GLU 6 22.514 29.454 18.326
30 HG2 GLU 6 HG2 GLU 6 22.883 29.905 15.828
31 HG3 GLU 6 HG3 GLU 6 21.691 31.213 16.052
32 H ASP 7 H ASP 7 22.761 26.922 18.115
33 HA ASP 7 HA ASP 7 23.917 26.337 15.566
34 HB2 ASP 7 HB2 ASP 7 24.416 24.960 18.230
35 HB3 ASP 7 HB3 ASP 7 25.426 24.884 16.767
36 H CYS 8 H CYS 8 21.092 25.274 16.886
37 HA CYS 8 HA CYS 8 21.068 22.816 15.233
38 HB2 CYS 8 HB2 CYS 8 19.509 23.431 17.743
39 HB3 CYS 8 HB3 CYS 8 19.482 21.932 16.870
40 H THR 9 H THR 9 20.478 25.709 14.506
41 HA THR 9 HA THR 9 17.774 26.242 14.304
42 HB THR 9 HB THR 9 19.964 26.897 12.319
43 HG1 THR 9 HG1 THR 9 20.224 27.875 14.289
44 H LEU 10 H LEU 10 19.533 23.927 12.319
45 HA LEU 10 HA LEU 10 17.339 23.427 10.494
46 HB2 LEU 10 HB2 LEU 10 19.701 23.092 9.972
47 HB3 LEU 10 HB3 LEU 10 19.855 21.834 11.190
48 HG LEU 10 HG LEU 10 17.801 21.469 8.990
49 H LEU 11 H LEU 11 18.082 22.257 13.732
50 HA LEU 11 HA LEU 11 16.479 19.829 13.391
51 HB2 LEU 11 HB2 LEU 11 17.799 21.018 15.854
52 HB3 LEU 11 HB3 LEU 11 16.780 19.597 15.869
53 HG LEU 11 HG LEU 11 18.943 18.774 15.909
54 H CYS 12 H CYS 12 14.441 19.594 13.753
55 HA CYS 12 HA CYS 12 12.712 21.682 13.639
56 HB2 CYS 12 HB2 CYS 12 11.728 19.211 15.027
57 HB3 CYS 12 HB3 CYS 12 11.029 20.124 13.714
58 H TYR 13 H TYR 13 13.231 19.821 16.653
59 HA TYR 13 HA TYR 13 12.766 22.276 18.289
60 HB2 TYR 13 HB2 TYR 13 11.315 19.596 18.515
61 HB3 TYR 13 HB3 TYR 13 11.369 20.755 19.821
62 HD1 TYR 13 HD2 TYR 13 10.214 22.917 19.719
63 HD2 TYR 13 HD1 TYR 13 9.799 19.963 16.607
64 HE1 TYR 13 HE2 TYR 13 8.153 24.054 18.922
65 HE2 TYR 13 HE1 TYR 13 7.748 21.128 15.793
66 HH TYR 13 HH TYR 13 6.423 24.033 17.382
67 H ASP 14 H ASP 14 14.840 19.871 17.566
68 HA ASP 14 HA ASP 14 16.338 18.534 18.543
69 HB2 ASP 14 HB2 ASP 14 17.705 20.194 19.187
70 HB3 ASP 14 HB3 ASP 14 16.516 20.961 20.240
71 H THR 15 H THR 15 16.809 16.969 20.147
72 HA THR 15 HA THR 15 14.693 15.495 21.080
73 HB THR 15 HB THR 15 16.850 14.738 22.714
74 HG1 THR 15 HG1 THR 15 18.070 16.468 21.431
75 H ILE 16 H ILE 16 16.792 17.422 23.298
76 HA ILE 16 HA ILE 16 14.677 17.044 25.411
77 HB ILE 16 HB ILE 16 17.620 17.746 25.761
78 H GLY 17 H GLY 17 17.175 19.549 24.831
79 HA2 GLY 17 HA2 GLY 17 15.017 21.563 24.356
80 HA3 GLY 17 HA3 GLY 17 16.097 21.807 25.718
81 H THR 18 H THR 18 18.468 21.707 25.170
82 HA THR 18 HA THR 18 19.018 23.430 22.825
83 HB THR 18 HB THR 18 20.975 22.554 24.986
84 HG1 THR 18 HG1 THR 18 20.277 24.072 26.330
85 H CYS 19 H CYS 19 20.064 20.338 24.264
86 HA CYS 19 HA CYS 19 21.200 19.226 21.868
87 HB2 CYS 19 HB2 CYS 19 22.846 21.095 22.643
88 HB3 CYS 19 HB3 CYS 19 23.087 20.148 24.085
89 H VAL 20 H VAL 20 21.933 17.003 22.370
90 HA VAL 20 HA VAL 20 22.041 16.214 25.200
91 HB VAL 20 HB VAL 20 19.659 15.825 24.319
92 H ASP 21 H ASP 21 23.372 14.329 25.527
93 HA ASP 21 HA ASP 21 25.292 13.149 25.059
94 HB2 ASP 21 HB2 ASP 21 23.232 12.428 23.066
95 HB3 ASP 21 HB3 ASP 21 24.837 12.091 22.480
96 H GLY 22 H GLY 22 25.213 16.034 24.031
97 HA2 GLY 22 HA2 GLY 22 26.815 17.430 23.071
98 HA3 GLY 22 HA3 GLY 22 27.826 16.015 22.732
99 H LYS 23 H LYS 23 24.609 15.646 21.518
100 HA LYS 23 HA LYS 23 25.278 16.723 18.822
101 HB2 LYS 23 HB2 LYS 23 24.663 13.838 19.564
102 HB3 LYS 23 HB3 LYS 23 24.427 14.470 17.933
103 HG2 LYS 23 HG2 LYS 23 26.783 15.078 17.736
104 HG3 LYS 23 HG3 LYS 23 27.110 14.511 19.387
105 HD2 LYS 23 HD2 LYS 23 26.077 12.680 17.180
106 HD3 LYS 23 HD3 LYS 23 27.774 12.960 17.515
107 HE2 LYS 23 HE2 LYS 23 27.759 11.335 19.013
108 HE3 LYS 23 HE3 LYS 23 26.770 12.376 20.059
109 HZ1 LYS 23 HZ1 LYS 23 25.682 10.474 18.052
110 HZ2 LYS 23 HZ2 LYS 23 24.790 11.329 19.139
111 HZ3 LYS 23 HZ3 LYS 23 25.830 10.125 19.621
112 H CYS 24 H CYS 24 23.623 17.846 18.062
113 HA CYS 24 HA CYS 24 21.018 17.761 19.344
114 HB2 CYS 24 HB2 CYS 24 22.484 19.467 17.495
115 HB3 CYS 24 HB3 CYS 24 20.876 19.160 16.873
116 H LYS 25 H LYS 25 19.151 16.767 18.721
117 HA LYS 25 HA LYS 25 18.987 15.579 15.998
118 HB2 LYS 25 HB2 LYS 25 19.886 13.778 17.412
119 HB3 LYS 25 HB3 LYS 25 18.544 13.961 18.548
120 HG2 LYS 25 HG2 LYS 25 16.945 13.335 16.813
121 HG3 LYS 25 HG3 LYS 25 18.217 13.291 15.581
122 HD2 LYS 25 HD2 LYS 25 19.230 11.351 16.753
123 HD3 LYS 25 HD3 LYS 25 17.937 11.397 17.959
124 HE2 LYS 25 HE2 LYS 25 17.533 11.026 14.942
125 HE3 LYS 25 HE3 LYS 25 17.563 9.704 16.125
126 HZ1 LYS 25 HZ1 LYS 25 15.634 10.625 17.179
127 HZ2 LYS 25 HZ2 LYS 25 15.281 10.405 15.570
128 HZ3 LYS 25 HZ3 LYS 25 15.560 11.914 16.174
129 H CYS 26 H CYS 26 16.951 15.504 15.144
130 HA CYS 26 HA CYS 26 14.802 16.885 16.675
131 HB2 CYS 26 HB2 CYS 26 15.100 17.863 14.543
132 HB3 CYS 26 HB3 CYS 26 15.228 16.293 13.729
133 H MET 27 H MET 27 12.831 15.961 17.132
134 HA MET 27 HA MET 27 11.873 13.474 16.144
135 HB2 MET 27 HB2 MET 27 13.773 12.792 17.857
136 HB3 MET 27 HB3 MET 27 12.671 13.395 19.087
137 HG2 MET 27 HG2 MET 27 10.934 11.787 18.313
138 HG3 MET 27 HG3 MET 27 12.025 11.274 16.989
139 HE1 MET 27 HE1 MET 27 12.222 7.996 18.992
140 HE2 MET 27 HE2 MET 27 10.762 9.013 18.565
141 HE3 MET 27 HE3 MET 27 12.118 8.794 17.352
Start of MODEL 11
1 H1 ALA 1 H1 ALA 1 28.044 18.765 22.190
2 H2 ALA 1 H2 ALA 1 28.791 17.456 21.674
3 H3 ALA 1 H3 ALA 1 27.145 17.448 21.616
4 HA ALA 1 HA ALA 1 28.993 19.077 20.031
5 HB1 ALA 1 HB1 ALA 1 27.155 16.962 18.927
6 HB2 ALA 1 HB2 ALA 1 28.576 17.723 18.182
7 HB3 ALA 1 HB3 ALA 1 28.787 16.577 19.517
8 H CYS 2 H CYS 2 26.632 19.903 21.754
9 HA CYS 2 HA CYS 2 25.097 21.435 19.674
10 HB2 CYS 2 HB2 CYS 2 23.143 20.840 21.348
11 HB3 CYS 2 HB3 CYS 2 23.668 19.646 20.171
12 H VAL 3 H VAL 3 25.960 23.487 20.232
13 HA VAL 3 HA VAL 3 26.670 24.062 22.999
14 HB VAL 3 HB VAL 3 26.604 26.087 20.703
15 H THR 4 H THR 4 23.917 24.731 20.902
16 HA THR 4 HA THR 4 22.268 25.526 23.242
17 HB THR 4 HB THR 4 21.836 27.447 21.093
18 HG1 THR 4 HG1 THR 4 24.063 27.118 20.595
19 H HIS 5 H HIS 5 19.971 26.211 22.333
20 HA HIS 5 HA HIS 5 18.821 24.101 20.834
21 HB2 HIS 5 HB2 HIS 5 17.771 26.953 21.149
22 HB3 HIS 5 HB3 HIS 5 16.823 25.513 20.785
23 HD2 HIS 5 HD2 HIS 5 16.073 23.995 22.833
24 HE1 HIS 5 HE1 HIS 5 18.099 26.066 25.949
25 HE2 HIS 5 HE2 HIS 5 16.452 24.199 25.430
26 H GLU 6 H GLU 6 19.894 27.339 19.777
27 HA GLU 6 HA GLU 6 19.026 26.950 17.057
28 HB2 GLU 6 HB2 GLU 6 20.336 29.052 18.653
29 HB3 GLU 6 HB3 GLU 6 20.982 28.956 17.027
30 HG2 GLU 6 HG2 GLU 6 19.035 30.538 17.323
31 HG3 GLU 6 HG3 GLU 6 18.894 29.379 16.011
32 H ASP 7 H ASP 7 21.921 25.825 18.677
33 HA ASP 7 HA ASP 7 23.573 25.470 16.376
34 HB2 ASP 7 HB2 ASP 7 23.243 23.694 18.830
35 HB3 ASP 7 HB3 ASP 7 24.390 23.389 17.557
36 H CYS 8 H CYS 8 20.664 23.883 17.408
37 HA CYS 8 HA CYS 8 20.948 21.879 15.224
38 HB2 CYS 8 HB2 CYS 8 19.461 21.726 17.855
39 HB3 CYS 8 HB3 CYS 8 19.592 20.448 16.638
40 H THR 9 H THR 9 20.105 24.645 14.742
41 HA THR 9 HA THR 9 17.347 24.943 14.499
42 HB THR 9 HB THR 9 19.535 25.942 12.687
43 HG1 THR 9 HG1 THR 9 17.922 27.109 14.713
44 H LEU 10 H LEU 10 19.430 22.979 12.393
45 HA LEU 10 HA LEU 10 17.365 22.421 10.464
46 HB2 LEU 10 HB2 LEU 10 19.774 22.137 10.119
47 HB3 LEU 10 HB3 LEU 10 19.835 20.808 11.257
48 HG LEU 10 HG LEU 10 17.927 20.612 8.906
49 H LEU 11 H LEU 11 18.002 21.055 13.655
50 HA LEU 11 HA LEU 11 16.324 18.700 13.114
51 HB2 LEU 11 HB2 LEU 11 17.918 19.631 15.482
52 HB3 LEU 11 HB3 LEU 11 16.824 18.272 15.590
53 HG LEU 11 HG LEU 11 18.939 17.352 15.378
54 H CYS 12 H CYS 12 14.298 18.616 13.383
55 HA CYS 12 HA CYS 12 12.597 20.583 13.580
56 HB2 CYS 12 HB2 CYS 12 11.701 18.014 14.858
57 HB3 CYS 12 HB3 CYS 12 10.899 19.019 13.669
58 H TYR 13 H TYR 13 13.290 18.640 16.494
59 HA TYR 13 HA TYR 13 12.828 20.961 18.275
60 HB2 TYR 13 HB2 TYR 13 10.966 18.652 17.888
61 HB3 TYR 13 HB3 TYR 13 11.412 18.899 19.545
62 HD1 TYR 13 HD1 TYR 13 11.015 21.067 20.696
63 HD2 TYR 13 HD2 TYR 13 9.387 20.175 16.809
64 HE1 TYR 13 HE1 TYR 13 9.263 22.805 21.032
65 HE2 TYR 13 HE2 TYR 13 7.616 21.893 17.165
66 HH TYR 13 HH TYR 13 7.427 23.852 20.137
67 H ASP 14 H ASP 14 14.933 18.759 17.366
68 HA ASP 14 HA ASP 14 16.560 17.456 18.329
69 HB2 ASP 14 HB2 ASP 14 16.357 19.353 20.697
70 HB3 ASP 14 HB3 ASP 14 17.798 18.613 19.973
71 H THR 15 H THR 15 17.100 17.005 21.124
72 HA THR 15 HA THR 15 14.735 15.612 22.118
73 HB THR 15 HB THR 15 15.676 13.820 20.858
74 HG1 THR 15 HG1 THR 15 15.909 12.394 22.537
75 H ILE 16 H ILE 16 14.804 15.229 24.296
76 HA ILE 16 HA ILE 16 14.821 16.272 26.317
77 HB ILE 16 HB ILE 16 17.762 15.616 26.230
78 H GLY 17 H GLY 17 14.170 18.284 25.537
79 HA2 GLY 17 HA2 GLY 17 14.195 20.579 25.739
80 HA3 GLY 17 HA3 GLY 17 15.601 20.430 26.768
81 H THR 18 H THR 18 17.683 20.589 25.855
82 HA THR 18 HA THR 18 17.823 22.077 23.278
83 HB THR 18 HB THR 18 20.208 21.403 24.998
84 HG1 THR 18 HG1 THR 18 19.076 22.215 26.531
85 H CYS 19 H CYS 19 19.068 19.167 24.937
86 HA CYS 19 HA CYS 19 19.745 17.740 22.545
87 HB2 CYS 19 HB2 CYS 19 21.404 19.688 22.611
88 HB3 CYS 19 HB3 CYS 19 21.980 19.055 24.132
89 H VAL 20 H VAL 20 21.008 15.718 23.109
90 HA VAL 20 HA VAL 20 21.128 15.125 26.030
91 HB VAL 20 HB VAL 20 18.967 14.292 24.854
92 H ASP 21 H ASP 21 22.745 13.768 26.662
93 HA ASP 21 HA ASP 21 24.987 13.284 26.561
94 HB2 ASP 21 HB2 ASP 21 23.574 11.296 24.784
95 HB3 ASP 21 HB3 ASP 21 25.250 11.104 25.288
96 H GLY 22 H GLY 22 24.537 15.528 25.016
97 HA2 GLY 22 HA2 GLY 22 25.759 16.923 23.666
98 HA3 GLY 22 HA3 GLY 22 27.032 15.678 23.613
99 H LYS 23 H LYS 23 23.753 14.882 22.460
100 HA LYS 23 HA LYS 23 24.572 15.459 19.670
101 HB2 LYS 23 HB2 LYS 23 25.036 12.995 20.657
102 HB3 LYS 23 HB3 LYS 23 23.338 12.755 20.207
103 HG2 LYS 23 HG2 LYS 23 23.883 13.433 17.885
104 HG3 LYS 23 HG3 LYS 23 25.514 13.867 18.360
105 HD2 LYS 23 HD2 LYS 23 25.903 11.457 19.042
106 HD3 LYS 23 HD3 LYS 23 24.295 11.074 18.372
107 HE2 LYS 23 HE2 LYS 23 25.921 10.477 16.715
108 HE3 LYS 23 HE3 LYS 23 25.100 11.945 16.137
109 HZ1 LYS 23 HZ1 LYS 23 27.532 12.013 15.862
110 HZ2 LYS 23 HZ2 LYS 23 27.727 11.963 17.477
111 HZ3 LYS 23 HZ3 LYS 23 27.007 13.264 16.807
112 H CYS 24 H CYS 24 23.057 16.220 18.419
113 HA CYS 24 HA CYS 24 20.321 16.558 19.521
114 HB2 CYS 24 HB2 CYS 24 21.901 17.841 17.273
115 HB3 CYS 24 HB3 CYS 24 20.144 17.972 17.338
116 H LYS 25 H LYS 25 18.520 15.670 18.651
117 HA LYS 25 HA LYS 25 18.613 14.368 16.014
118 HB2 LYS 25 HB2 LYS 25 19.412 12.798 17.999
119 HB3 LYS 25 HB3 LYS 25 17.691 12.650 18.349
120 HG2 LYS 25 HG2 LYS 25 17.278 11.605 16.216
121 HG3 LYS 25 HG3 LYS 25 18.824 12.153 15.560
122 HD2 LYS 25 HD2 LYS 25 20.052 10.712 17.142
123 HD3 LYS 25 HD3 LYS 25 18.515 10.094 17.789
124 HE2 LYS 25 HE2 LYS 25 17.974 8.998 15.732
125 HE3 LYS 25 HE3 LYS 25 19.200 9.899 14.830
126 HZ1 LYS 25 HZ1 LYS 25 19.885 7.910 16.944
127 HZ2 LYS 25 HZ2 LYS 25 20.934 8.680 15.926
128 HZ3 LYS 25 HZ3 LYS 25 19.905 7.587 15.356
129 H CYS 26 H CYS 26 16.740 14.687 14.984
130 HA CYS 26 HA CYS 26 14.583 16.178 16.251
131 HB2 CYS 26 HB2 CYS 26 14.976 16.649 13.948
132 HB3 CYS 26 HB3 CYS 26 15.012 14.941 13.508
133 H MET 27 H MET 27 12.592 15.512 16.884
134 HA MET 27 HA MET 27 12.136 12.933 17.890
135 HB2 MET 27 HB2 MET 27 10.422 15.339 17.355
136 HB3 MET 27 HB3 MET 27 9.598 13.797 17.599
137 HG2 MET 27 HG2 MET 27 11.683 14.883 19.525
138 HG3 MET 27 HG3 MET 27 9.936 15.119 19.700
139 HE1 MET 27 HE1 MET 27 10.754 12.507 22.536
140 HE2 MET 27 HE2 MET 27 11.772 13.844 21.988
141 HE3 MET 27 HE3 MET 27 10.023 14.071 22.169
Start of MODEL 12
1 H1 ALA 1 H1 ALA 1 28.975 18.583 19.377
2 H2 ALA 1 H2 ALA 1 29.515 17.180 18.729
3 H3 ALA 1 H3 ALA 1 27.955 17.286 19.209
4 HA ALA 1 HA ALA 1 29.162 18.847 17.055
5 HB1 ALA 1 HB1 ALA 1 27.250 16.521 16.693
6 HB2 ALA 1 HB2 ALA 1 28.164 17.432 15.471
7 HB3 ALA 1 HB3 ALA 1 29.026 16.371 16.597
8 H CYS 2 H CYS 2 27.369 19.635 19.410
9 HA CYS 2 HA CYS 2 25.349 21.065 17.833
10 HB2 CYS 2 HB2 CYS 2 23.690 20.437 19.735
11 HB3 CYS 2 HB3 CYS 2 23.983 19.291 18.437
12 H VAL 3 H VAL 3 26.333 23.020 18.198
13 HA VAL 3 HA VAL 3 27.603 23.731 20.621
14 HB VAL 3 HB VAL 3 26.559 25.393 18.323
15 H THR 4 H THR 4 24.200 24.221 19.705
16 HA THR 4 HA THR 4 23.417 24.241 22.475
17 HB THR 4 HB THR 4 22.090 26.572 21.971
18 HG1 THR 4 HG1 THR 4 24.697 27.211 21.291
19 H HIS 5 H HIS 5 22.021 25.861 19.622
20 HA HIS 5 HA HIS 5 19.908 23.740 19.408
21 HB2 HIS 5 HB2 HIS 5 19.209 26.704 19.537
22 HB3 HIS 5 HB3 HIS 5 18.113 25.339 19.489
23 HD2 HIS 5 HD2 HIS 5 17.849 23.923 21.855
24 HE1 HIS 5 HE1 HIS 5 19.091 27.207 24.281
25 HE2 HIS 5 HE2 HIS 5 17.906 24.958 24.289
26 H GLU 6 H GLU 6 21.148 26.880 18.154
27 HA GLU 6 HA GLU 6 19.978 26.815 15.605
28 HB2 GLU 6 HB2 GLU 6 20.967 28.804 16.356
29 HB3 GLU 6 HB3 GLU 6 22.523 28.070 16.680
30 HG2 GLU 6 HG2 GLU 6 21.388 28.335 13.855
31 HG3 GLU 6 HG3 GLU 6 22.288 29.621 14.630
32 H ASP 7 H ASP 7 22.854 25.074 16.737
33 HA ASP 7 HA ASP 7 23.722 24.216 14.168
34 HB2 ASP 7 HB2 ASP 7 24.213 23.369 16.995
35 HB3 ASP 7 HB3 ASP 7 24.454 22.113 15.792
36 H CYS 8 H CYS 8 20.875 23.392 15.769
37 HA CYS 8 HA CYS 8 20.467 21.034 14.015
38 HB2 CYS 8 HB2 CYS 8 18.984 21.696 16.576
39 HB3 CYS 8 HB3 CYS 8 19.051 20.160 15.718
40 H THR 9 H THR 9 20.174 23.968 13.362
41 HA THR 9 HA THR 9 17.511 24.798 13.231
42 HB THR 9 HB THR 9 19.745 25.322 11.248
43 HG1 THR 9 HG1 THR 9 20.131 26.227 13.196
44 H LEU 10 H LEU 10 19.229 22.984 10.613
45 HA LEU 10 HA LEU 10 16.882 22.669 9.081
46 HB2 LEU 10 HB2 LEU 10 18.123 21.268 7.641
47 HB3 LEU 10 HB3 LEU 10 19.162 22.551 8.214
48 HG LEU 10 HG LEU 10 19.902 20.675 10.005
49 H LEU 11 H LEU 11 17.903 20.791 11.846
50 HA LEU 11 HA LEU 11 16.273 18.481 11.262
51 HB2 LEU 11 HB2 LEU 11 17.423 19.598 13.847
52 HB3 LEU 11 HB3 LEU 11 16.330 18.223 13.805
53 HG LEU 11 HG LEU 11 17.892 17.007 12.281
54 H CYS 12 H CYS 12 14.175 18.127 11.532
55 HA CYS 12 HA CYS 12 12.243 20.035 11.541
56 HB2 CYS 12 HB2 CYS 12 10.718 18.228 12.328
57 HB3 CYS 12 HB3 CYS 12 11.766 17.752 11.004
58 H TYR 13 H TYR 13 13.244 18.289 14.488
59 HA TYR 13 HA TYR 13 12.773 20.627 16.230
60 HB2 TYR 13 HB2 TYR 13 10.909 18.312 15.832
61 HB3 TYR 13 HB3 TYR 13 11.275 18.622 17.496
62 HD1 TYR 13 HD2 TYR 13 11.094 21.055 18.366
63 HD2 TYR 13 HD1 TYR 13 9.126 19.566 14.834
64 HE1 TYR 13 HE2 TYR 13 9.362 22.852 18.566
65 HE2 TYR 13 HE1 TYR 13 7.403 21.348 15.038
66 HH TYR 13 HH TYR 13 7.444 23.685 17.760
67 H ASP 14 H ASP 14 15.019 18.713 15.425
68 HA ASP 14 HA ASP 14 16.453 17.166 16.276
69 HB2 ASP 14 HB2 ASP 14 17.857 17.947 17.905
70 HB3 ASP 14 HB3 ASP 14 17.249 19.382 17.095
71 H THR 15 H THR 15 16.851 16.616 19.201
72 HA THR 15 HA THR 15 14.839 14.403 19.241
73 HB THR 15 HB THR 15 16.917 13.685 20.981
74 HG1 THR 15 HG1 THR 15 18.737 13.715 19.741
75 H ILE 16 H ILE 16 16.806 16.453 21.450
76 HA ILE 16 HA ILE 16 14.541 16.505 23.296
77 HB ILE 16 HB ILE 16 17.185 15.588 24.449
78 H GLY 17 H GLY 17 14.799 18.490 21.968
79 HA2 GLY 17 HA2 GLY 17 14.809 20.743 22.139
80 HA3 GLY 17 HA3 GLY 17 15.309 20.611 23.826
81 H THR 18 H THR 18 17.778 20.078 24.071
82 HA THR 18 HA THR 18 19.240 22.079 22.398
83 HB THR 18 HB THR 18 21.179 21.408 23.928
84 HG1 THR 18 HG1 THR 18 20.368 20.649 25.993
85 H CYS 19 H CYS 19 19.774 18.728 23.552
86 HA CYS 19 HA CYS 19 20.331 17.589 20.983
87 HB2 CYS 19 HB2 CYS 19 22.257 19.316 21.317
88 HB3 CYS 19 HB3 CYS 19 22.774 18.331 22.663
89 H VAL 20 H VAL 20 21.633 15.467 21.268
90 HA VAL 20 HA VAL 20 21.691 14.395 24.046
91 HB VAL 20 HB VAL 20 20.428 12.913 21.692
92 H ASP 21 H ASP 21 23.384 12.971 24.377
93 HA ASP 21 HA ASP 21 25.585 12.476 24.043
94 HB2 ASP 21 HB2 ASP 21 23.962 10.641 22.318
95 HB3 ASP 21 HB3 ASP 21 25.717 10.493 22.312
96 H GLY 22 H GLY 22 25.241 14.864 23.030
97 HA2 GLY 22 HA2 GLY 22 26.444 16.425 21.840
98 HA3 GLY 22 HA3 GLY 22 27.661 15.170 21.555
99 H LYS 23 H LYS 23 24.464 14.390 20.385
100 HA LYS 23 HA LYS 23 25.057 15.383 17.643
101 HB2 LYS 23 HB2 LYS 23 24.803 12.505 18.586
102 HB3 LYS 23 HB3 LYS 23 24.344 12.961 16.939
103 HG2 LYS 23 HG2 LYS 23 26.542 13.820 16.435
104 HG3 LYS 23 HG3 LYS 23 27.082 13.574 18.102
105 HD2 LYS 23 HD2 LYS 23 27.049 11.202 17.929
106 HD3 LYS 23 HD3 LYS 23 26.259 11.271 16.331
107 HE2 LYS 23 HE2 LYS 23 28.162 12.342 15.319
108 HE3 LYS 23 HE3 LYS 23 28.924 12.628 16.879
109 HZ1 LYS 23 HZ1 LYS 23 29.765 10.696 15.513
110 HZ2 LYS 23 HZ2 LYS 23 28.413 9.871 15.974
111 HZ3 LYS 23 HZ3 LYS 23 29.515 10.423 17.088
112 H CYS 24 H CYS 24 23.385 16.250 16.752
113 HA CYS 24 HA CYS 24 20.750 16.079 18.033
114 HB2 CYS 24 HB2 CYS 24 22.302 17.919 16.414
115 HB3 CYS 24 HB3 CYS 24 20.777 17.659 15.645
116 H LYS 25 H LYS 25 18.895 15.107 17.188
117 HA LYS 25 HA LYS 25 19.035 13.851 14.483
118 HB2 LYS 25 HB2 LYS 25 18.912 12.439 17.121
119 HB3 LYS 25 HB3 LYS 25 17.696 11.937 15.945
120 HG2 LYS 25 HG2 LYS 25 19.468 11.589 14.235
121 HG3 LYS 25 HG3 LYS 25 20.700 11.966 15.463
122 HD2 LYS 25 HD2 LYS 25 20.004 10.052 16.814
123 HD3 LYS 25 HD3 LYS 25 18.630 9.735 15.732
124 HE2 LYS 25 HE2 LYS 25 20.162 9.313 13.852
125 HE3 LYS 25 HE3 LYS 25 21.554 9.664 14.886
126 HZ1 LYS 25 HZ1 LYS 25 20.997 7.768 16.235
127 HZ2 LYS 25 HZ2 LYS 25 21.197 7.315 14.706
128 HZ3 LYS 25 HZ3 LYS 25 19.656 7.409 15.302
129 H CYS 26 H CYS 26 17.199 14.054 13.352
130 HA CYS 26 HA CYS 26 14.935 15.506 14.581
131 HB2 CYS 26 HB2 CYS 26 15.586 16.230 12.397
132 HB3 CYS 26 HB3 CYS 26 15.639 14.583 11.785
133 H MET 27 H MET 27 12.884 14.718 14.814
134 HA MET 27 HA MET 27 12.489 12.021 15.581
135 HB2 MET 27 HB2 MET 27 11.191 14.169 16.247
136 HB3 MET 27 HB3 MET 27 10.331 13.979 14.724
137 HG2 MET 27 HG2 MET 27 8.891 12.750 15.931
138 HG3 MET 27 HG3 MET 27 10.061 11.452 15.755
139 HE1 MET 27 HE1 MET 27 12.014 11.023 17.711
140 HE2 MET 27 HE2 MET 27 12.393 12.754 17.878
141 HE3 MET 27 HE3 MET 27 11.955 11.801 19.306
Start of MODEL 13
1 H1 ALA 1 H1 ALA 1 27.865 18.433 23.704
2 H2 ALA 1 H2 ALA 1 28.912 17.216 23.459
3 H3 ALA 1 H3 ALA 1 27.434 17.171 22.706
4 HA ALA 1 HA ALA 1 29.662 18.982 22.221
5 HB1 ALA 1 HB1 ALA 1 29.891 18.044 20.061
6 HB2 ALA 1 HB2 ALA 1 29.798 16.679 21.187
7 HB3 ALA 1 HB3 ALA 1 28.388 17.129 20.189
8 H CYS 2 H CYS 2 26.433 19.271 22.749
9 HA CYS 2 HA CYS 2 25.880 21.062 20.453
10 HB2 CYS 2 HB2 CYS 2 23.970 20.331 22.644
11 HB3 CYS 2 HB3 CYS 2 23.639 20.580 20.934
12 H VAL 3 H VAL 3 26.407 23.234 20.840
13 HA VAL 3 HA VAL 3 27.084 24.129 23.521
14 HB VAL 3 HB VAL 3 26.643 25.799 21.012
15 H THR 4 H THR 4 24.272 24.515 21.408
16 HA THR 4 HA THR 4 22.464 25.099 23.678
17 HB THR 4 HB THR 4 21.783 27.119 21.926
18 HG1 THR 4 HG1 THR 4 23.986 26.610 20.858
19 H HIS 5 H HIS 5 20.207 25.636 22.714
20 HA HIS 5 HA HIS 5 19.258 23.527 21.071
21 HB2 HIS 5 HB2 HIS 5 17.876 26.223 21.344
22 HB3 HIS 5 HB3 HIS 5 17.155 24.612 21.292
23 HD2 HIS 5 HD2 HIS 5 17.497 23.106 23.570
24 HE1 HIS 5 HE1 HIS 5 18.978 26.210 26.075
25 HE2 HIS 5 HE2 HIS 5 18.269 23.766 25.988
26 H GLU 6 H GLU 6 20.180 26.863 20.268
27 HA GLU 6 HA GLU 6 19.224 26.876 17.582
28 HB2 GLU 6 HB2 GLU 6 20.168 28.743 19.291
29 HB3 GLU 6 HB3 GLU 6 21.649 28.483 18.385
30 HG2 GLU 6 HG2 GLU 6 18.920 29.259 17.236
31 HG3 GLU 6 HG3 GLU 6 20.244 30.380 17.565
32 H ASP 7 H ASP 7 22.118 25.366 18.992
33 HA ASP 7 HA ASP 7 23.685 25.050 16.639
34 HB2 ASP 7 HB2 ASP 7 23.263 23.040 18.897
35 HB3 ASP 7 HB3 ASP 7 24.469 22.921 17.642
36 H CYS 8 H CYS 8 20.687 23.616 17.653
37 HA CYS 8 HA CYS 8 20.826 21.619 15.452
38 HB2 CYS 8 HB2 CYS 8 19.652 21.524 18.244
39 HB3 CYS 8 HB3 CYS 8 19.423 20.260 17.025
40 H THR 9 H THR 9 20.080 24.370 15.021
41 HA THR 9 HA THR 9 17.379 24.903 14.843
42 HB THR 9 HB THR 9 18.827 25.379 12.269
43 HG1 THR 9 HG1 THR 9 19.555 27.095 14.277
44 H LEU 10 H LEU 10 19.153 22.576 12.891
45 HA LEU 10 HA LEU 10 16.993 22.153 10.978
46 HB2 LEU 10 HB2 LEU 10 19.353 21.864 10.436
47 HB3 LEU 10 HB3 LEU 10 19.525 20.569 11.610
48 HG LEU 10 HG LEU 10 17.431 20.253 9.446
49 H LEU 11 H LEU 11 17.807 20.823 14.150
50 HA LEU 11 HA LEU 11 16.240 18.390 13.705
51 HB2 LEU 11 HB2 LEU 11 17.600 19.498 16.183
52 HB3 LEU 11 HB3 LEU 11 16.615 18.057 16.177
53 HG LEU 11 HG LEU 11 18.874 17.380 16.132
54 H CYS 12 H CYS 12 14.215 18.101 14.128
55 HA CYS 12 HA CYS 12 12.384 20.046 14.132
56 HB2 CYS 12 HB2 CYS 12 11.729 17.527 15.667
57 HB3 CYS 12 HB3 CYS 12 10.773 18.394 14.482
58 H TYR 13 H TYR 13 13.178 18.341 17.182
59 HA TYR 13 HA TYR 13 12.832 20.848 18.712
60 HB2 TYR 13 HB2 TYR 13 11.034 18.441 18.819
61 HB3 TYR 13 HB3 TYR 13 11.503 19.109 20.359
62 HD1 TYR 13 HD1 TYR 13 11.247 21.676 20.715
63 HD2 TYR 13 HD2 TYR 13 9.163 19.436 17.680
64 HE1 TYR 13 HE1 TYR 13 9.537 23.474 20.572
65 HE2 TYR 13 HE2 TYR 13 7.448 21.241 17.531
66 HH TYR 13 HH TYR 13 7.668 24.199 19.534
67 H ASP 14 H ASP 14 14.880 18.578 17.965
68 HA ASP 14 HA ASP 14 16.341 17.163 18.904
69 HB2 ASP 14 HB2 ASP 14 18.023 18.108 20.235
70 HB3 ASP 14 HB3 ASP 14 17.484 19.288 19.046
71 H THR 15 H THR 15 17.128 17.061 21.838
72 HA THR 15 HA THR 15 14.758 16.027 23.045
73 HB THR 15 HB THR 15 15.213 14.124 21.568
74 HG1 THR 15 HG1 THR 15 14.999 12.647 23.200
75 H ILE 16 H ILE 16 14.977 15.600 25.210
76 HA ILE 16 HA ILE 16 15.635 16.350 27.266
77 HB ILE 16 HB ILE 16 18.339 15.232 26.497
78 H GLY 17 H GLY 17 15.262 18.552 26.710
79 HA2 GLY 17 HA2 GLY 17 15.832 20.785 26.932
80 HA3 GLY 17 HA3 GLY 17 17.403 20.262 27.551
81 H THR 18 H THR 18 19.123 19.979 26.125
82 HA THR 18 HA THR 18 18.949 21.508 23.553
83 HB THR 18 HB THR 18 21.352 20.591 25.193
84 HG1 THR 18 HG1 THR 18 21.419 22.551 26.020
85 H CYS 19 H CYS 19 20.022 18.395 24.953
86 HA CYS 19 HA CYS 19 19.650 16.883 22.652
87 HB2 CYS 19 HB2 CYS 19 21.806 16.457 21.818
88 HB3 CYS 19 HB3 CYS 19 21.511 18.169 21.687
89 H VAL 20 H VAL 20 20.850 14.695 22.833
90 HA VAL 20 HA VAL 20 21.427 14.062 25.705
91 HB VAL 20 HB VAL 20 19.144 13.311 24.927
92 H ASP 21 H ASP 21 22.960 12.369 26.060
93 HA ASP 21 HA ASP 21 24.984 11.412 25.645
94 HB2 ASP 21 HB2 ASP 21 23.348 10.524 23.318
95 HB3 ASP 21 HB3 ASP 21 25.011 10.100 23.339
96 H GLY 22 H GLY 22 24.770 14.252 24.895
97 HA2 GLY 22 HA2 GLY 22 26.188 15.848 24.018
98 HA3 GLY 22 HA3 GLY 22 27.355 14.573 23.627
99 H LYS 23 H LYS 23 24.197 14.052 22.298
100 HA LYS 23 HA LYS 23 24.920 15.279 19.673
101 HB2 LYS 23 HB2 LYS 23 25.590 12.763 20.075
102 HB3 LYS 23 HB3 LYS 23 23.869 12.436 19.924
103 HG2 LYS 23 HG2 LYS 23 23.963 13.655 17.673
104 HG3 LYS 23 HG3 LYS 23 25.713 13.738 17.875
105 HD2 LYS 23 HD2 LYS 23 23.988 11.259 17.488
106 HD3 LYS 23 HD3 LYS 23 25.200 11.937 16.391
107 HE2 LYS 23 HE2 LYS 23 26.935 11.422 18.239
108 HE3 LYS 23 HE3 LYS 23 25.659 10.492 19.029
109 HZ1 LYS 23 HZ1 LYS 23 25.488 9.262 16.816
110 HZ2 LYS 23 HZ2 LYS 23 26.849 8.953 17.658
111 HZ3 LYS 23 HZ3 LYS 23 26.911 9.964 16.390
112 H CYS 24 H CYS 24 23.248 16.403 18.849
113 HA CYS 24 HA CYS 24 20.623 16.441 20.044
114 HB2 CYS 24 HB2 CYS 24 21.711 17.463 17.406
115 HB3 CYS 24 HB3 CYS 24 20.043 17.693 17.919
116 H LYS 25 H LYS 25 18.671 15.608 19.389
117 HA LYS 25 HA LYS 25 18.522 13.867 16.983
118 HB2 LYS 25 HB2 LYS 25 18.362 12.943 19.850
119 HB3 LYS 25 HB3 LYS 25 17.248 12.228 18.689
120 HG2 LYS 25 HG2 LYS 25 19.080 11.423 17.310
121 HG3 LYS 25 HG3 LYS 25 20.275 12.213 18.361
122 HD2 LYS 25 HD2 LYS 25 19.628 10.833 20.254
123 HD3 LYS 25 HD3 LYS 25 18.329 10.075 19.310
124 HE2 LYS 25 HE2 LYS 25 19.939 9.054 17.792
125 HE3 LYS 25 HE3 LYS 25 21.282 9.923 18.557
126 HZ1 LYS 25 HZ1 LYS 25 19.556 7.934 19.935
127 HZ2 LYS 25 HZ2 LYS 25 20.830 8.703 20.601
128 HZ3 LYS 25 HZ3 LYS 25 21.102 7.637 19.395
129 H CYS 26 H CYS 26 16.704 14.342 15.941
130 HA CYS 26 HA CYS 26 14.616 16.026 17.052
131 HB2 CYS 26 HB2 CYS 26 14.939 16.241 14.714
132 HB3 CYS 26 HB3 CYS 26 15.043 14.500 14.476
133 H MET 27 H MET 27 12.603 15.527 17.834
134 HA MET 27 HA MET 27 11.329 12.942 17.764
135 HB2 MET 27 HB2 MET 27 13.192 13.685 20.003
136 HB3 MET 27 HB3 MET 27 11.622 13.160 20.539
137 HG2 MET 27 HG2 MET 27 12.785 11.371 18.488
138 HG3 MET 27 HG3 MET 27 13.742 11.528 19.952
139 HE1 MET 27 HE1 MET 27 9.419 9.846 19.764
140 HE2 MET 27 HE2 MET 27 9.753 11.569 19.488
141 HE3 MET 27 HE3 MET 27 10.381 10.354 18.355
Start of MODEL 14
1 H1 ALA 1 H1 ALA 1 28.466 18.052 23.010
2 H2 ALA 1 H2 ALA 1 29.331 16.703 22.739
3 H3 ALA 1 H3 ALA 1 27.750 16.743 22.272
4 HA ALA 1 HA ALA 1 30.033 18.178 21.178
5 HB1 ALA 1 HB1 ALA 1 28.119 16.399 19.633
6 HB2 ALA 1 HB2 ALA 1 29.651 17.097 19.101
7 HB3 ALA 1 HB3 ALA 1 29.652 15.837 20.347
8 H CYS 2 H CYS 2 26.565 18.415 21.692
9 HA CYS 2 HA CYS 2 26.089 20.383 19.676
10 HB2 CYS 2 HB2 CYS 2 24.460 20.013 22.200
11 HB3 CYS 2 HB3 CYS 2 23.925 20.407 20.567
12 H VAL 3 H VAL 3 26.766 22.458 19.688
13 HA VAL 3 HA VAL 3 27.832 23.745 22.055
14 HB VAL 3 HB VAL 3 26.986 24.959 19.392
15 H THR 4 H THR 4 24.699 23.797 20.424
16 HA THR 4 HA THR 4 23.309 24.996 22.720
17 HB THR 4 HB THR 4 22.440 26.710 20.709
18 HG1 THR 4 HG1 THR 4 23.939 27.140 19.327
19 H HIS 5 H HIS 5 20.932 25.496 21.976
20 HA HIS 5 HA HIS 5 19.715 23.198 20.821
21 HB2 HIS 5 HB2 HIS 5 18.481 25.978 20.895
22 HB3 HIS 5 HB3 HIS 5 17.679 24.421 21.078
23 HD2 HIS 5 HD2 HIS 5 17.349 23.587 23.568
24 HE1 HIS 5 HE1 HIS 5 19.885 26.363 25.565
25 HE2 HIS 5 HE2 HIS 5 18.221 24.460 25.882
26 H GLU 6 H GLU 6 20.578 26.341 19.368
27 HA GLU 6 HA GLU 6 19.333 25.994 16.840
28 HB2 GLU 6 HB2 GLU 6 20.065 28.124 17.270
29 HB3 GLU 6 HB3 GLU 6 21.609 27.640 17.920
30 HG2 GLU 6 HG2 GLU 6 20.923 27.433 14.948
31 HG3 GLU 6 HG3 GLU 6 21.603 28.883 15.687
32 H ASP 7 H ASP 7 22.352 24.654 18.092
33 HA ASP 7 HA ASP 7 23.467 23.701 15.654
34 HB2 ASP 7 HB2 ASP 7 23.962 23.522 18.496
35 HB3 ASP 7 HB3 ASP 7 23.966 21.882 17.871
36 H CYS 8 H CYS 8 20.705 22.661 17.428
37 HA CYS 8 HA CYS 8 20.578 20.083 15.962
38 HB2 CYS 8 HB2 CYS 8 19.044 21.001 18.412
39 HB3 CYS 8 HB3 CYS 8 19.068 19.383 17.724
40 H THR 9 H THR 9 19.730 22.950 15.043
41 HA THR 9 HA THR 9 16.938 23.058 14.876
42 HB THR 9 HB THR 9 18.948 24.081 12.838
43 HG1 THR 9 HG1 THR 9 19.338 25.053 14.708
44 H LEU 10 H LEU 10 19.094 21.171 12.777
45 HA LEU 10 HA LEU 10 17.127 20.511 10.814
46 HB2 LEU 10 HB2 LEU 10 19.558 20.302 10.558
47 HB3 LEU 10 HB3 LEU 10 19.614 18.976 11.703
48 HG LEU 10 HG LEU 10 17.755 18.648 9.351
49 H LEU 11 H LEU 11 17.327 19.561 14.107
50 HA LEU 11 HA LEU 11 15.760 17.091 13.666
51 HB2 LEU 11 HB2 LEU 11 17.060 18.232 16.176
52 HB3 LEU 11 HB3 LEU 11 16.149 16.763 16.108
53 HG LEU 11 HG LEU 11 18.382 16.117 16.119
54 H CYS 12 H CYS 12 13.688 16.955 14.113
55 HA CYS 12 HA CYS 12 11.883 18.938 13.977
56 HB2 CYS 12 HB2 CYS 12 10.322 17.383 15.152
57 HB3 CYS 12 HB3 CYS 12 11.258 16.620 13.883
58 H TYR 13 H TYR 13 12.963 17.656 17.111
59 HA TYR 13 HA TYR 13 13.037 20.265 18.367
60 HB2 TYR 13 HB2 TYR 13 10.569 18.753 18.477
61 HB3 TYR 13 HB3 TYR 13 11.256 18.767 20.077
62 HD1 TYR 13 HD1 TYR 13 12.231 21.195 20.837
63 HD2 TYR 13 HD2 TYR 13 9.161 20.533 17.884
64 HE1 TYR 13 HE1 TYR 13 11.402 23.525 21.179
65 HE2 TYR 13 HE2 TYR 13 8.338 22.871 18.233
66 HH TYR 13 HH TYR 13 9.833 25.124 20.530
67 H ASP 14 H ASP 14 14.628 17.740 17.908
68 HA ASP 14 HA ASP 14 15.899 16.219 18.842
69 HB2 ASP 14 HB2 ASP 14 17.377 17.886 19.281
70 HB3 ASP 14 HB3 ASP 14 16.407 18.580 20.582
71 H THR 15 H THR 15 16.339 14.595 20.484
72 HA THR 15 HA THR 15 13.735 13.659 21.463
73 HB THR 15 HB THR 15 16.335 12.170 21.784
74 HG1 THR 15 HG1 THR 15 16.077 12.923 19.620
75 H ILE 16 H ILE 16 16.604 15.066 22.977
76 HA ILE 16 HA ILE 16 15.307 14.678 25.626
77 HB ILE 16 HB ILE 16 18.216 14.034 25.079
78 H GLY 17 H GLY 17 14.607 16.762 25.554
79 HA2 GLY 17 HA2 GLY 17 14.724 19.060 25.926
80 HA3 GLY 17 HA3 GLY 17 16.255 18.712 26.734
81 H THR 18 H THR 18 18.186 19.214 25.716
82 HA THR 18 HA THR 18 18.043 20.820 23.202
83 HB THR 18 HB THR 18 20.519 20.255 24.882
84 HG1 THR 18 HG1 THR 18 19.311 21.210 26.294
85 H CYS 19 H CYS 19 19.493 17.827 24.516
86 HA CYS 19 HA CYS 19 20.152 16.778 21.909
87 HB2 CYS 19 HB2 CYS 19 22.206 18.277 23.477
88 HB3 CYS 19 HB3 CYS 19 22.688 16.630 23.034
89 H VAL 20 H VAL 20 21.032 14.645 22.006
90 HA VAL 20 HA VAL 20 20.475 13.218 24.571
91 HB VAL 20 HB VAL 20 20.874 11.997 21.800
92 H ASP 21 H ASP 21 22.267 12.626 25.766
93 HA ASP 21 HA ASP 21 24.465 12.284 26.303
94 HB2 ASP 21 HB2 ASP 21 24.280 10.464 23.874
95 HB3 ASP 21 HB3 ASP 21 25.558 10.410 25.086
96 H GLY 22 H GLY 22 24.042 14.590 24.643
97 HA2 GLY 22 HA2 GLY 22 25.529 16.268 23.963
98 HA3 GLY 22 HA3 GLY 22 26.851 15.095 23.917
99 H LYS 23 H LYS 23 24.027 14.047 22.187
100 HA LYS 23 HA LYS 23 25.040 15.161 19.605
101 HB2 LYS 23 HB2 LYS 23 25.797 12.857 19.897
102 HB3 LYS 23 HB3 LYS 23 24.151 12.317 20.244
103 HG2 LYS 23 HG2 LYS 23 23.421 12.837 17.984
104 HG3 LYS 23 HG3 LYS 23 24.965 13.624 17.614
105 HD2 LYS 23 HD2 LYS 23 26.149 11.494 17.836
106 HD3 LYS 23 HD3 LYS 23 24.645 10.666 18.296
107 HE2 LYS 23 HE2 LYS 23 23.665 11.059 16.121
108 HE3 LYS 23 HE3 LYS 23 24.968 12.163 15.662
109 HZ1 LYS 23 HZ1 LYS 23 26.505 10.358 15.671
110 HZ2 LYS 23 HZ2 LYS 23 25.263 9.930 14.700
111 HZ3 LYS 23 HZ3 LYS 23 25.382 9.265 16.188
112 H CYS 24 H CYS 24 23.577 16.146 18.407
113 HA CYS 24 HA CYS 24 20.841 16.461 19.210
114 HB2 CYS 24 HB2 CYS 24 22.095 16.894 16.466
115 HB3 CYS 24 HB3 CYS 24 20.565 17.546 17.048
116 H LYS 25 H LYS 25 19.180 15.007 18.950
117 HA LYS 25 HA LYS 25 18.996 13.559 16.351
118 HB2 LYS 25 HB2 LYS 25 20.166 12.037 18.075
119 HB3 LYS 25 HB3 LYS 25 18.666 12.058 18.970
120 HG2 LYS 25 HG2 LYS 25 17.736 11.374 16.446
121 HG3 LYS 25 HG3 LYS 25 19.376 10.711 16.384
122 HD2 LYS 25 HD2 LYS 25 18.874 9.409 18.448
123 HD3 LYS 25 HD3 LYS 25 17.245 10.069 18.500
124 HE2 LYS 25 HE2 LYS 25 18.319 8.555 16.100
125 HE3 LYS 25 HE3 LYS 25 17.569 7.718 17.462
126 HZ1 LYS 25 HZ1 LYS 25 15.514 8.835 16.994
127 HZ2 LYS 25 HZ2 LYS 25 15.997 8.253 15.599
128 HZ3 LYS 25 HZ3 LYS 25 16.109 9.877 15.956
129 H CYS 26 H CYS 26 16.881 13.208 15.713
130 HA CYS 26 HA CYS 26 14.691 14.315 17.430
131 HB2 CYS 26 HB2 CYS 26 14.856 15.363 15.218
132 HB3 CYS 26 HB3 CYS 26 14.989 13.784 14.452
133 H MET 27 H MET 27 12.964 13.049 17.951
134 HA MET 27 HA MET 27 11.716 11.216 18.405
135 HB2 MET 27 HB2 MET 27 11.292 11.675 15.966
136 HB3 MET 27 HB3 MET 27 12.452 10.417 15.551
137 HG2 MET 27 HG2 MET 27 11.060 8.757 16.725
138 HG3 MET 27 HG3 MET 27 9.931 10.026 17.192
139 HE1 MET 27 HE1 MET 27 7.738 8.176 14.616
140 HE2 MET 27 HE2 MET 27 8.799 7.502 15.850
141 HE3 MET 27 HE3 MET 27 7.830 8.933 16.200
Start of MODEL 15
1 H1 ALA 1 H1 ALA 1 32.164 21.644 23.492
2 H2 ALA 1 H2 ALA 1 33.105 20.363 23.097
3 H3 ALA 1 H3 ALA 1 31.546 20.403 22.567
4 HA ALA 1 HA ALA 1 33.693 22.221 21.771
5 HB1 ALA 1 HB1 ALA 1 33.923 19.900 20.884
6 HB2 ALA 1 HB2 ALA 1 32.340 20.081 20.091
7 HB3 ALA 1 HB3 ALA 1 33.693 21.128 19.626
8 H CYS 2 H CYS 2 31.237 23.139 22.905
9 HA CYS 2 HA CYS 2 29.848 24.461 20.665
10 HB2 CYS 2 HB2 CYS 2 27.789 23.889 22.262
11 HB3 CYS 2 HB3 CYS 2 28.353 22.721 21.068
12 H VAL 3 H VAL 3 29.258 26.604 21.358
13 HA VAL 3 HA VAL 3 30.351 27.385 24.049
14 HB VAL 3 HB VAL 3 30.273 29.081 21.541
15 H THR 4 H THR 4 27.688 28.005 21.726
16 HA THR 4 HA THR 4 25.832 28.418 23.951
17 HB THR 4 HB THR 4 26.067 30.691 21.940
18 HG1 THR 4 HG1 THR 4 27.685 30.207 24.124
19 H HIS 5 H HIS 5 23.660 29.319 22.744
20 HA HIS 5 HA HIS 5 22.763 27.206 21.043
21 HB2 HIS 5 HB2 HIS 5 20.753 28.756 20.773
22 HB3 HIS 5 HB3 HIS 5 21.156 28.216 22.395
23 HD2 HIS 5 HD2 HIS 5 20.161 30.140 23.805
24 HE1 HIS 5 HE1 HIS 5 22.170 33.458 22.036
25 HE2 HIS 5 HE2 HIS 5 20.597 32.739 23.911
26 H GLU 6 H GLU 6 23.606 30.573 20.248
27 HA GLU 6 HA GLU 6 23.236 30.669 17.535
28 HB2 GLU 6 HB2 GLU 6 24.055 32.507 18.958
29 HB3 GLU 6 HB3 GLU 6 25.566 31.646 19.217
30 HG2 GLU 6 HG2 GLU 6 25.842 31.862 16.583
31 HG3 GLU 6 HG3 GLU 6 24.612 33.113 16.744
32 H ASP 7 H ASP 7 25.983 29.141 19.254
33 HA ASP 7 HA ASP 7 27.535 28.565 16.922
34 HB2 ASP 7 HB2 ASP 7 27.649 27.176 19.625
35 HB3 ASP 7 HB3 ASP 7 28.891 27.165 18.367
36 H CYS 8 H CYS 8 24.655 27.197 17.992
37 HA CYS 8 HA CYS 8 24.952 24.927 16.103
38 HB2 CYS 8 HB2 CYS 8 23.636 24.782 18.839
39 HB3 CYS 8 HB3 CYS 8 23.973 23.466 17.715
40 H THR 9 H THR 9 23.697 27.659 15.919
41 HA THR 9 HA THR 9 20.939 27.726 16.116
42 HB THR 9 HB THR 9 22.504 28.744 13.701
43 HG1 THR 9 HG1 THR 9 23.413 29.571 15.576
44 H LEU 10 H LEU 10 22.773 25.827 13.822
45 HA LEU 10 HA LEU 10 20.709 25.273 11.936
46 HB2 LEU 10 HB2 LEU 10 22.068 23.318 11.328
47 HB3 LEU 10 HB3 LEU 10 22.986 24.805 11.340
48 HG LEU 10 HG LEU 10 23.093 23.169 13.870
49 H LEU 11 H LEU 11 21.168 24.114 15.173
50 HA LEU 11 HA LEU 11 19.547 21.698 14.845
51 HB2 LEU 11 HB2 LEU 11 20.412 23.116 17.396
52 HB3 LEU 11 HB3 LEU 11 19.873 21.450 17.231
53 HG LEU 11 HG LEU 11 22.516 22.645 16.282
54 H CYS 12 H CYS 12 17.407 21.601 15.252
55 HA CYS 12 HA CYS 12 15.633 23.691 15.186
56 HB2 CYS 12 HB2 CYS 12 14.071 22.050 16.260
57 HB3 CYS 12 HB3 CYS 12 14.976 21.383 14.912
58 H TYR 13 H TYR 13 16.846 22.161 18.161
59 HA TYR 13 HA TYR 13 16.642 24.606 19.756
60 HB2 TYR 13 HB2 TYR 13 14.600 22.389 19.857
61 HB3 TYR 13 HB3 TYR 13 15.142 22.979 21.396
62 HD1 TYR 13 HD1 TYR 13 14.948 25.422 22.009
63 HD2 TYR 13 HD2 TYR 13 12.987 23.690 18.589
64 HE1 TYR 13 HE1 TYR 13 13.403 27.379 21.907
65 HE2 TYR 13 HE2 TYR 13 11.453 25.657 18.476
66 HH TYR 13 HH TYR 13 11.573 28.336 20.816
67 H ASP 14 H ASP 14 18.653 22.435 18.926
68 HA ASP 14 HA ASP 14 20.218 21.014 19.786
69 HB2 ASP 14 HB2 ASP 14 21.183 22.853 20.883
70 HB3 ASP 14 HB3 ASP 14 19.964 22.897 22.141
71 H THR 15 H THR 15 20.740 19.383 21.433
72 HA THR 15 HA THR 15 18.690 17.469 21.746
73 HB THR 15 HB THR 15 20.767 17.143 23.758
74 HG1 THR 15 HG1 THR 15 21.960 18.639 22.315
75 H ILE 16 H ILE 16 19.650 20.181 23.769
76 HA ILE 16 HA ILE 16 17.419 19.563 25.621
77 HB ILE 16 HB ILE 16 20.212 20.201 26.665
78 H GLY 17 H GLY 17 20.049 21.934 24.979
79 HA2 GLY 17 HA2 GLY 17 18.277 24.113 24.786
80 HA3 GLY 17 HA3 GLY 17 18.845 24.089 26.463
81 H THR 18 H THR 18 21.511 22.968 25.426
82 HA THR 18 HA THR 18 22.603 25.313 24.010
83 HB THR 18 HB THR 18 24.584 25.376 25.577
84 HG1 THR 18 HG1 THR 18 24.222 24.638 27.676
85 H CYS 19 H CYS 19 23.610 22.309 25.689
86 HA CYS 19 HA CYS 19 24.332 20.910 23.292
87 HB2 CYS 19 HB2 CYS 19 26.094 22.746 23.396
88 HB3 CYS 19 HB3 CYS 19 26.581 22.111 24.957
89 H VAL 20 H VAL 20 25.321 18.804 23.812
90 HA VAL 20 HA VAL 20 25.743 18.171 26.667
91 HB VAL 20 HB VAL 20 23.309 17.744 26.105
92 H ASP 21 H ASP 21 27.089 16.432 27.030
93 HA ASP 21 HA ASP 21 29.059 15.380 26.585
94 HB2 ASP 21 HB2 ASP 21 27.245 14.020 24.592
95 HB3 ASP 21 HB3 ASP 21 28.813 13.397 25.133
96 H GLY 22 H GLY 22 28.962 17.881 25.499
97 HA2 GLY 22 HA2 GLY 22 30.358 19.250 24.303
98 HA3 GLY 22 HA3 GLY 22 31.410 17.842 24.034
99 H LYS 23 H LYS 23 28.230 17.276 22.893
100 HA LYS 23 HA LYS 23 28.991 17.950 20.084
101 HB2 LYS 23 HB2 LYS 23 28.469 15.369 21.372
102 HB3 LYS 23 HB3 LYS 23 27.228 15.687 20.180
103 HG2 LYS 23 HG2 LYS 23 29.017 14.427 19.177
104 HG3 LYS 23 HG3 LYS 23 28.920 16.026 18.433
105 HD2 LYS 23 HD2 LYS 23 30.889 16.780 19.700
106 HD3 LYS 23 HD3 LYS 23 30.896 15.286 20.641
107 HE2 LYS 23 HE2 LYS 23 32.645 15.301 18.907
108 HE3 LYS 23 HE3 LYS 23 31.512 13.971 18.685
109 HZ1 LYS 23 HZ1 LYS 23 31.199 16.518 17.185
110 HZ2 LYS 23 HZ2 LYS 23 30.512 15.092 16.859
111 HZ3 LYS 23 HZ3 LYS 23 32.120 15.278 16.621
112 H CYS 24 H CYS 24 27.636 19.170 19.056
113 HA CYS 24 HA CYS 24 24.997 19.809 20.242
114 HB2 CYS 24 HB2 CYS 24 27.029 21.150 18.594
115 HB3 CYS 24 HB3 CYS 24 25.442 21.303 17.887
116 H LYS 25 H LYS 25 23.243 18.717 19.653
117 HA LYS 25 HA LYS 25 22.797 17.889 16.813
118 HB2 LYS 25 HB2 LYS 25 23.049 16.046 19.218
119 HB3 LYS 25 HB3 LYS 25 21.832 15.690 18.024
120 HG2 LYS 25 HG2 LYS 25 23.518 15.648 16.236
121 HG3 LYS 25 HG3 LYS 25 24.812 15.938 17.424
122 HD2 LYS 25 HD2 LYS 25 22.891 13.550 17.549
123 HD3 LYS 25 HD3 LYS 25 24.433 13.518 16.688
124 HE2 LYS 25 HE2 LYS 25 25.642 14.050 18.778
125 HE3 LYS 25 HE3 LYS 25 24.129 14.107 19.664
126 HZ1 LYS 25 HZ1 LYS 25 25.300 11.950 19.845
127 HZ2 LYS 25 HZ2 LYS 25 25.128 11.669 18.259
128 HZ3 LYS 25 HZ3 LYS 25 23.804 11.762 19.273
129 H CYS 26 H CYS 26 20.647 18.081 16.286
130 HA CYS 26 HA CYS 26 18.752 19.325 18.163
131 HB2 CYS 26 HB2 CYS 26 18.670 20.038 15.870
132 HB3 CYS 26 HB3 CYS 26 18.743 18.388 15.277
133 H MET 27 H MET 27 17.024 18.299 19.163
134 HA MET 27 HA MET 27 17.171 15.503 19.668
135 HB2 MET 27 HB2 MET 27 16.165 17.146 21.207
136 HB3 MET 27 HB3 MET 27 14.819 17.393 20.078
137 HG2 MET 27 HG2 MET 27 14.026 15.164 20.393
138 HG3 MET 27 HG3 MET 27 15.538 14.642 21.131
139 HE1 MET 27 HE1 MET 27 12.464 17.333 23.335
140 HE2 MET 27 HE2 MET 27 13.599 17.984 22.138
141 HE3 MET 27 HE3 MET 27 12.315 16.861 21.627
Start of MODEL 16
1 H1 ALA 1 H1 ALA 1 29.151 16.158 19.607
2 H2 ALA 1 H2 ALA 1 29.861 14.864 18.927
3 H3 ALA 1 H3 ALA 1 28.227 14.907 19.008
4 HA ALA 1 HA ALA 1 29.990 16.556 17.372
5 HB1 ALA 1 HB1 ALA 1 29.594 14.183 16.612
6 HB2 ALA 1 HB2 ALA 1 27.874 14.605 16.406
7 HB3 ALA 1 HB3 ALA 1 29.098 15.433 15.460
8 H CYS 2 H CYS 2 27.512 17.217 19.332
9 HA CYS 2 HA CYS 2 26.125 19.002 17.397
10 HB2 CYS 2 HB2 CYS 2 24.213 18.430 19.143
11 HB3 CYS 2 HB3 CYS 2 24.520 17.422 17.723
12 H VAL 3 H VAL 3 26.978 20.938 17.890
13 HA VAL 3 HA VAL 3 27.938 21.574 20.562
14 HB VAL 3 HB VAL 3 27.565 23.420 18.177
15 H THR 4 H THR 4 24.955 22.226 18.782
16 HA THR 4 HA THR 4 23.575 23.069 21.226
17 HB THR 4 HB THR 4 23.038 25.152 19.296
18 HG1 THR 4 HG1 THR 4 25.162 24.820 18.470
19 H HIS 5 H HIS 5 21.263 23.883 20.541
20 HA HIS 5 HA HIS 5 19.879 21.979 19.001
21 HB2 HIS 5 HB2 HIS 5 19.032 24.871 19.416
22 HB3 HIS 5 HB3 HIS 5 17.995 23.460 19.232
23 HD2 HIS 5 HD2 HIS 5 17.215 22.326 21.480
24 HE1 HIS 5 HE1 HIS 5 20.006 24.116 24.164
25 HE2 HIS 5 HE2 HIS 5 18.004 22.575 23.997
26 H GLU 6 H GLU 6 21.231 25.113 18.028
27 HA GLU 6 HA GLU 6 20.193 25.204 15.374
28 HB2 GLU 6 HB2 GLU 6 21.114 27.084 16.677
29 HB3 GLU 6 HB3 GLU 6 22.732 26.409 16.596
30 HG2 GLU 6 HG2 GLU 6 21.216 27.033 14.039
31 HG3 GLU 6 HG3 GLU 6 21.864 28.345 14.982
32 H ASP 7 H ASP 7 22.977 23.449 16.690
33 HA ASP 7 HA ASP 7 24.163 22.993 14.082
34 HB2 ASP 7 HB2 ASP 7 24.654 21.685 16.788
35 HB3 ASP 7 HB3 ASP 7 25.602 21.380 15.320
36 H CYS 8 H CYS 8 21.340 21.906 15.360
37 HA CYS 8 HA CYS 8 21.301 19.513 13.595
38 HB2 CYS 8 HB2 CYS 8 19.695 20.017 16.130
39 HB3 CYS 8 HB3 CYS 8 19.742 18.534 15.197
40 H THR 9 H THR 9 20.736 22.508 13.041
41 HA THR 9 HA THR 9 18.032 22.988 12.751
42 HB THR 9 HB THR 9 20.426 23.900 11.188
43 HG1 THR 9 HG1 THR 9 18.469 25.423 12.560
44 H LEU 10 H LEU 10 19.833 20.697 10.838
45 HA LEU 10 HA LEU 10 17.677 20.406 8.848
46 HB2 LEU 10 HB2 LEU 10 19.013 18.355 8.189
47 HB3 LEU 10 HB3 LEU 10 19.722 19.914 7.879
48 HG LEU 10 HG LEU 10 20.521 18.751 10.499
49 H LEU 11 H LEU 11 18.341 19.072 12.024
50 HA LEU 11 HA LEU 11 16.761 16.657 11.483
51 HB2 LEU 11 HB2 LEU 11 18.026 17.670 14.047
52 HB3 LEU 11 HB3 LEU 11 16.977 16.278 13.942
53 HG LEU 11 HG LEU 11 19.083 15.370 14.027
54 H CYS 12 H CYS 12 14.755 16.283 12.073
55 HA CYS 12 HA CYS 12 13.030 18.479 12.061
56 HB2 CYS 12 HB2 CYS 12 11.902 15.863 12.924
57 HB3 CYS 12 HB3 CYS 12 11.413 16.957 11.651
58 H TYR 13 H TYR 13 13.562 16.169 14.762
59 HA TYR 13 HA TYR 13 12.956 18.332 16.685
60 HB2 TYR 13 HB2 TYR 13 11.193 16.015 16.179
61 HB3 TYR 13 HB3 TYR 13 11.680 16.134 17.851
62 HD1 TYR 13 HD2 TYR 13 11.214 18.184 19.193
63 HD2 TYR 13 HD1 TYR 13 9.641 17.666 15.218
64 HE1 TYR 13 HE2 TYR 13 9.533 19.976 19.624
65 HE2 TYR 13 HE1 TYR 13 7.962 19.452 15.654
66 HH TYR 13 HH TYR 13 7.784 21.176 18.787
67 H ASP 14 H ASP 14 15.225 16.565 15.677
68 HA ASP 14 HA ASP 14 16.328 14.698 16.317
69 HB2 ASP 14 HB2 ASP 14 18.381 15.246 17.378
70 HB3 ASP 14 HB3 ASP 14 17.877 16.342 16.104
71 H THR 15 H THR 15 17.641 14.677 19.208
72 HA THR 15 HA THR 15 15.651 12.515 19.810
73 HB THR 15 HB THR 15 18.420 12.538 20.933
74 HG1 THR 15 HG1 THR 15 17.543 11.934 18.335
75 H ILE 16 H ILE 16 17.764 14.740 21.701
76 HA ILE 16 HA ILE 16 15.520 15.057 23.614
77 HB ILE 16 HB ILE 16 18.329 14.463 24.603
78 H GLY 17 H GLY 17 15.268 17.000 22.460
79 HA2 GLY 17 HA2 GLY 17 15.443 19.259 22.175
80 HA3 GLY 17 HA3 GLY 17 16.223 19.285 23.759
81 H THR 18 H THR 18 18.555 19.191 23.861
82 HA THR 18 HA THR 18 19.876 20.724 21.766
83 HB THR 18 HB THR 18 21.275 19.281 24.034
84 HG1 THR 18 HG1 THR 18 20.660 20.673 25.414
85 H CYS 19 H CYS 19 20.528 17.449 23.163
86 HA CYS 19 HA CYS 19 20.740 16.033 20.758
87 HB2 CYS 19 HB2 CYS 19 22.730 17.692 20.515
88 HB3 CYS 19 HB3 CYS 19 23.451 16.838 21.869
89 H VAL 20 H VAL 20 21.953 13.879 21.152
90 HA VAL 20 HA VAL 20 22.565 13.297 23.971
91 HB VAL 20 HB VAL 20 20.089 12.777 23.540
92 H ASP 21 H ASP 21 23.830 11.294 24.167
93 HA ASP 21 HA ASP 21 25.671 10.080 23.532
94 HB2 ASP 21 HB2 ASP 21 24.093 9.637 20.958
95 HB3 ASP 21 HB3 ASP 21 25.320 8.598 21.648
96 H GLY 22 H GLY 22 25.442 13.007 22.335
97 HA2 GLY 22 HA2 GLY 22 26.834 14.374 21.094
98 HA3 GLY 22 HA3 GLY 22 27.964 13.021 20.902
99 H LYS 23 H LYS 23 24.611 12.521 19.901
100 HA LYS 23 HA LYS 23 25.227 13.134 17.045
101 HB2 LYS 23 HB2 LYS 23 24.411 10.432 18.212
102 HB3 LYS 23 HB3 LYS 23 23.904 10.922 16.606
103 HG2 LYS 23 HG2 LYS 23 25.705 9.756 16.023
104 HG3 LYS 23 HG3 LYS 23 26.440 11.349 16.130
105 HD2 LYS 23 HD2 LYS 23 27.440 10.791 18.298
106 HD3 LYS 23 HD3 LYS 23 26.512 9.273 18.368
107 HE2 LYS 23 HE2 LYS 23 27.654 8.472 16.314
108 HE3 LYS 23 HE3 LYS 23 28.581 9.978 16.237
109 HZ1 LYS 23 HZ1 LYS 23 28.670 8.072 18.505
110 HZ2 LYS 23 HZ2 LYS 23 29.605 9.411 18.342
111 HZ3 LYS 23 HZ3 LYS 23 29.790 8.117 17.322
112 H CYS 24 H CYS 24 23.625 14.174 16.090
113 HA CYS 24 HA CYS 24 20.987 14.323 17.466
114 HB2 CYS 24 HB2 CYS 24 22.544 16.044 15.624
115 HB3 CYS 24 HB3 CYS 24 20.832 15.953 15.272
116 H LYS 25 H LYS 25 19.386 12.961 16.903
117 HA LYS 25 HA LYS 25 19.144 12.303 14.021
118 HB2 LYS 25 HB2 LYS 25 18.431 10.005 14.512
119 HB3 LYS 25 HB3 LYS 25 20.133 10.344 14.635
120 HG2 LYS 25 HG2 LYS 25 18.350 10.141 17.089
121 HG3 LYS 25 HG3 LYS 25 19.097 8.747 16.314
122 HD2 LYS 25 HD2 LYS 25 21.375 9.822 16.630
123 HD3 LYS 25 HD3 LYS 25 20.570 11.085 17.568
124 HE2 LYS 25 HE2 LYS 25 21.421 9.593 19.166
125 HE3 LYS 25 HE3 LYS 25 19.679 9.346 19.113
126 HZ1 LYS 25 HZ1 LYS 25 21.776 7.560 17.973
127 HZ2 LYS 25 HZ2 LYS 25 20.161 7.393 17.616
128 HZ3 LYS 25 HZ3 LYS 25 20.718 7.256 19.160
129 H CYS 26 H CYS 26 17.299 12.407 13.117
130 HA CYS 26 HA CYS 26 15.161 13.781 14.559
131 HB2 CYS 26 HB2 CYS 26 15.525 14.582 12.359
132 HB3 CYS 26 HB3 CYS 26 15.622 12.957 11.679
133 H MET 27 H MET 27 13.257 13.046 15.165
134 HA MET 27 HA MET 27 11.568 11.692 15.755
135 HB2 MET 27 HB2 MET 27 11.508 11.525 13.172
136 HB3 MET 27 HB3 MET 27 12.125 9.895 13.374
137 HG2 MET 27 HG2 MET 27 9.593 10.920 14.734
138 HG3 MET 27 HG3 MET 27 9.618 10.286 13.095
139 HE1 MET 27 HE1 MET 27 9.297 7.874 16.904
140 HE2 MET 27 HE2 MET 27 10.241 9.370 16.881
141 HE3 MET 27 HE3 MET 27 8.523 9.406 16.455
Start of MODEL 17
1 H1 ALA 1 H1 ALA 1 29.027 19.059 22.599
2 H2 ALA 1 H2 ALA 1 29.885 17.803 22.004
3 H3 ALA 1 H3 ALA 1 28.277 17.836 21.753
4 HA ALA 1 HA ALA 1 30.304 19.593 20.615
5 HB1 ALA 1 HB1 ALA 1 30.099 17.301 19.597
6 HB2 ALA 1 HB2 ALA 1 28.457 17.755 19.068
7 HB3 ALA 1 HB3 ALA 1 29.857 18.665 18.491
8 H CYS 2 H CYS 2 26.886 19.494 21.540
9 HA CYS 2 HA CYS 2 26.247 21.654 19.691
10 HB2 CYS 2 HB2 CYS 2 24.372 21.155 21.893
11 HB3 CYS 2 HB3 CYS 2 24.118 21.259 20.183
12 H VAL 3 H VAL 3 26.939 23.709 20.073
13 HA VAL 3 HA VAL 3 27.547 24.599 22.763
14 HB VAL 3 HB VAL 3 27.304 26.231 20.215
15 H THR 4 H THR 4 24.652 24.920 20.720
16 HA THR 4 HA THR 4 22.981 25.363 22.965
17 HB THR 4 HB THR 4 22.591 27.837 21.410
18 HG1 THR 4 HG1 THR 4 24.919 27.543 22.895
19 H HIS 5 H HIS 5 20.752 26.484 22.003
20 HA HIS 5 HA HIS 5 19.503 24.637 20.294
21 HB2 HIS 5 HB2 HIS 5 17.763 26.356 20.110
22 HB3 HIS 5 HB3 HIS 5 18.332 26.254 21.772
23 HD2 HIS 5 HD2 HIS 5 17.278 28.842 19.539
24 HE1 HIS 5 HE1 HIS 5 20.553 30.718 21.489
25 HE2 HIS 5 HE2 HIS 5 18.517 31.131 20.023
26 H GLU 6 H GLU 6 21.121 27.697 19.521
27 HA GLU 6 HA GLU 6 20.576 27.893 16.764
28 HB2 GLU 6 HB2 GLU 6 21.466 29.659 18.158
29 HB3 GLU 6 HB3 GLU 6 22.943 28.777 18.468
30 HG2 GLU 6 HG2 GLU 6 22.392 29.345 15.586
31 HG3 GLU 6 HG3 GLU 6 22.626 30.758 16.593
32 H ASP 7 H ASP 7 23.108 25.952 18.399
33 HA ASP 7 HA ASP 7 24.470 25.156 15.963
34 HB2 ASP 7 HB2 ASP 7 24.449 24.042 18.797
35 HB3 ASP 7 HB3 ASP 7 25.185 23.167 17.468
36 H CYS 8 H CYS 8 21.492 24.287 17.394
37 HA CYS 8 HA CYS 8 21.242 21.873 15.659
38 HB2 CYS 8 HB2 CYS 8 19.832 22.529 18.284
39 HB3 CYS 8 HB3 CYS 8 19.746 21.013 17.390
40 H THR 9 H THR 9 20.810 24.692 14.888
41 HA THR 9 HA THR 9 18.138 25.486 14.733
42 HB THR 9 HB THR 9 20.338 25.778 12.660
43 HG1 THR 9 HG1 THR 9 20.759 26.897 14.502
44 H LEU 10 H LEU 10 19.799 23.176 12.527
45 HA LEU 10 HA LEU 10 17.533 22.541 10.969
46 HB2 LEU 10 HB2 LEU 10 19.863 22.110 10.382
47 HB3 LEU 10 HB3 LEU 10 20.015 20.891 11.636
48 HG LEU 10 HG LEU 10 17.897 20.557 9.487
49 H LEU 11 H LEU 11 18.490 21.214 14.136
50 HA LEU 11 HA LEU 11 16.729 18.938 13.857
51 HB2 LEU 11 HB2 LEU 11 18.122 20.063 16.312
52 HB3 LEU 11 HB3 LEU 11 17.109 18.634 16.314
53 HG LEU 11 HG LEU 11 19.230 17.779 16.266
54 H CYS 12 H CYS 12 14.721 18.597 14.455
55 HA CYS 12 HA CYS 12 12.971 20.735 14.535
56 HB2 CYS 12 HB2 CYS 12 11.999 18.127 15.626
57 HB3 CYS 12 HB3 CYS 12 11.328 19.172 14.394
58 H TYR 13 H TYR 13 13.576 18.488 17.289
59 HA TYR 13 HA TYR 13 13.436 20.740 19.163
60 HB2 TYR 13 HB2 TYR 13 11.346 18.582 18.952
61 HB3 TYR 13 HB3 TYR 13 11.797 19.099 20.559
62 HD1 TYR 13 HD2 TYR 13 12.209 21.908 20.539
63 HD2 TYR 13 HD1 TYR 13 9.246 19.587 18.430
64 HE1 TYR 13 HE2 TYR 13 10.714 23.897 20.442
65 HE2 TYR 13 HE1 TYR 13 7.728 21.557 18.404
66 HH TYR 13 HH TYR 13 7.400 23.755 19.234
67 H ASP 14 H ASP 14 15.462 18.817 18.199
68 HA ASP 14 HA ASP 14 16.954 17.291 18.917
69 HB2 ASP 14 HB2 ASP 14 18.500 18.025 20.378
70 HB3 ASP 14 HB3 ASP 14 17.762 19.493 19.785
71 H THR 15 H THR 15 17.577 16.585 21.773
72 HA THR 15 HA THR 15 15.546 14.397 21.792
73 HB THR 15 HB THR 15 18.157 14.351 23.288
74 HG1 THR 15 HG1 THR 15 17.464 13.846 20.644
75 H ILE 16 H ILE 16 17.095 16.768 24.002
76 HA ILE 16 HA ILE 16 14.908 16.110 25.977
77 HB ILE 16 HB ILE 16 17.706 17.118 26.586
78 H GLY 17 H GLY 17 16.998 18.726 24.736
79 HA2 GLY 17 HA2 GLY 17 15.071 20.558 24.350
80 HA3 GLY 17 HA3 GLY 17 15.473 20.859 26.051
81 H THR 18 H THR 18 18.331 19.889 24.822
82 HA THR 18 HA THR 18 18.967 22.224 23.297
83 HB THR 18 HB THR 18 20.500 21.980 25.910
84 HG1 THR 18 HG1 THR 18 18.245 23.255 25.187
85 H CYS 19 H CYS 19 20.300 19.340 24.967
86 HA CYS 19 HA CYS 19 21.419 18.305 22.513
87 HB2 CYS 19 HB2 CYS 19 23.011 20.229 23.232
88 HB3 CYS 19 HB3 CYS 19 23.307 19.330 24.694
89 H VAL 20 H VAL 20 22.228 16.100 22.946
90 HA VAL 20 HA VAL 20 22.461 15.280 25.764
91 HB VAL 20 HB VAL 20 20.071 14.773 24.898
92 H ASP 21 H ASP 21 23.826 13.400 25.998
93 HA ASP 21 HA ASP 21 25.780 12.321 25.495
94 HB2 ASP 21 HB2 ASP 21 24.155 11.749 22.984
95 HB3 ASP 21 HB3 ASP 21 25.673 10.959 23.362
96 H GLY 22 H GLY 22 25.584 15.224 24.565
97 HA2 GLY 22 HA2 GLY 22 27.047 16.734 23.608
98 HA3 GLY 22 HA3 GLY 22 28.174 15.415 23.270
99 H LYS 23 H LYS 23 24.984 14.860 22.025
100 HA LYS 23 HA LYS 23 25.642 15.921 19.316
101 HB2 LYS 23 HB2 LYS 23 26.529 13.591 19.737
102 HB3 LYS 23 HB3 LYS 23 24.878 13.047 20.013
103 HG2 LYS 23 HG2 LYS 23 24.293 13.542 17.675
104 HG3 LYS 23 HG3 LYS 23 25.894 14.257 17.401
105 HD2 LYS 23 HD2 LYS 23 26.959 12.062 17.949
106 HD3 LYS 23 HD3 LYS 23 25.350 11.351 18.169
107 HE2 LYS 23 HE2 LYS 23 24.803 11.736 15.816
108 HE3 LYS 23 HE3 LYS 23 26.308 12.628 15.572
109 HZ1 LYS 23 HZ1 LYS 23 26.105 9.705 16.138
110 HZ2 LYS 23 HZ2 LYS 23 27.515 10.530 16.063
111 HZ3 LYS 23 HZ3 LYS 23 26.566 10.433 14.741
112 H CYS 24 H CYS 24 23.928 17.016 18.576
113 HA CYS 24 HA CYS 24 21.304 16.805 19.810
114 HB2 CYS 24 HB2 CYS 24 22.677 18.512 17.824
115 HB3 CYS 24 HB3 CYS 24 20.996 18.217 17.433
116 H LYS 25 H LYS 25 19.458 15.819 19.095
117 HA LYS 25 HA LYS 25 19.394 14.480 16.431
118 HB2 LYS 25 HB2 LYS 25 20.426 12.887 17.987
119 HB3 LYS 25 HB3 LYS 25 19.133 13.130 19.148
120 HG2 LYS 25 HG2 LYS 25 17.515 12.123 17.478
121 HG3 LYS 25 HG3 LYS 25 18.908 11.766 16.439
122 HD2 LYS 25 HD2 LYS 25 19.929 10.453 18.320
123 HD3 LYS 25 HD3 LYS 25 18.495 10.810 19.316
124 HE2 LYS 25 HE2 LYS 25 17.062 9.625 17.675
125 HE3 LYS 25 HE3 LYS 25 18.490 9.255 16.694
126 HZ1 LYS 25 HZ1 LYS 25 19.400 8.052 18.667
127 HZ2 LYS 25 HZ2 LYS 25 17.970 7.377 18.136
128 HZ3 LYS 25 HZ3 LYS 25 18.038 8.317 19.484
129 H CYS 26 H CYS 26 17.442 14.839 15.525
130 HA CYS 26 HA CYS 26 15.311 16.146 17.069
131 HB2 CYS 26 HB2 CYS 26 15.531 16.982 14.855
132 HB3 CYS 26 HB3 CYS 26 15.659 15.364 14.157
133 H MET 27 H MET 27 13.622 15.247 17.932
134 HA MET 27 HA MET 27 11.967 13.854 18.517
135 HB2 MET 27 HB2 MET 27 11.466 13.713 16.087
136 HB3 MET 27 HB3 MET 27 12.475 12.265 15.975
137 HG2 MET 27 HG2 MET 27 11.028 11.019 17.400
138 HG3 MET 27 HG3 MET 27 10.146 12.460 17.909
139 HE1 MET 27 HE1 MET 27 7.750 13.271 15.046
140 HE2 MET 27 HE2 MET 27 8.208 13.533 16.732
141 HE3 MET 27 HE3 MET 27 9.275 14.073 15.431
Start of MODEL 18
1 H1 ALA 1 H1 ALA 1 30.131 18.282 22.427
2 H2 ALA 1 H2 ALA 1 30.884 16.972 21.837
3 H3 ALA 1 H3 ALA 1 29.249 17.038 21.750
4 HA ALA 1 HA ALA 1 31.211 18.642 20.305
5 HB1 ALA 1 HB1 ALA 1 29.044 16.948 19.025
6 HB2 ALA 1 HB2 ALA 1 30.463 17.695 18.285
7 HB3 ALA 1 HB3 ALA 1 30.676 16.328 19.394
8 H CYS 2 H CYS 2 27.838 18.643 21.476
9 HA CYS 2 HA CYS 2 27.159 20.928 19.812
10 HB2 CYS 2 HB2 CYS 2 25.586 20.318 22.262
11 HB3 CYS 2 HB3 CYS 2 25.052 20.763 20.662
12 H VAL 3 H VAL 3 27.659 23.019 20.260
13 HA VAL 3 HA VAL 3 28.738 23.742 22.925
14 HB VAL 3 HB VAL 3 28.333 25.511 20.478
15 H THR 4 H THR 4 25.886 24.362 20.902
16 HA THR 4 HA THR 4 24.221 25.075 23.236
17 HB THR 4 HB THR 4 23.681 27.107 21.360
18 HG1 THR 4 HG1 THR 4 25.824 26.520 20.433
19 H HIS 5 H HIS 5 21.979 25.823 22.277
20 HA HIS 5 HA HIS 5 20.807 23.740 20.782
21 HB2 HIS 5 HB2 HIS 5 19.737 26.580 20.951
22 HB3 HIS 5 HB3 HIS 5 18.818 25.076 20.861
23 HD2 HIS 5 HD2 HIS 5 17.924 24.224 23.162
24 HE1 HIS 5 HE1 HIS 5 20.467 26.423 25.782
25 HE2 HIS 5 HE2 HIS 5 18.495 24.814 25.664
26 H GLU 6 H GLU 6 22.087 26.878 19.726
27 HA GLU 6 HA GLU 6 21.037 26.855 17.075
28 HB2 GLU 6 HB2 GLU 6 21.782 28.851 18.081
29 HB3 GLU 6 HB3 GLU 6 23.400 28.251 18.376
30 HG2 GLU 6 HG2 GLU 6 22.282 28.495 15.550
31 HG3 GLU 6 HG3 GLU 6 22.890 29.904 16.404
32 H ASP 7 H ASP 7 23.916 25.277 18.456
33 HA ASP 7 HA ASP 7 25.032 24.477 15.975
34 HB2 ASP 7 HB2 ASP 7 25.249 23.060 18.657
35 HB3 ASP 7 HB3 ASP 7 26.320 22.871 17.271
36 H CYS 8 H CYS 8 22.134 23.528 17.381
37 HA CYS 8 HA CYS 8 21.995 21.031 15.781
38 HB2 CYS 8 HB2 CYS 8 20.336 21.917 18.166
39 HB3 CYS 8 HB3 CYS 8 20.237 20.371 17.351
40 H THR 9 H THR 9 21.540 23.970 14.922
41 HA THR 9 HA THR 9 18.851 24.550 14.537
42 HB THR 9 HB THR 9 21.174 25.062 12.652
43 HG1 THR 9 HG1 THR 9 21.381 26.114 14.593
44 H LEU 10 H LEU 10 20.677 22.098 12.810
45 HA LEU 10 HA LEU 10 18.598 21.615 10.818
46 HB2 LEU 10 HB2 LEU 10 20.990 21.325 10.416
47 HB3 LEU 10 HB3 LEU 10 21.103 20.068 11.636
48 HG LEU 10 HG LEU 10 19.150 19.662 9.363
49 H LEU 11 H LEU 11 19.176 20.511 14.074
50 HA LEU 11 HA LEU 11 17.883 17.925 13.794
51 HB2 LEU 11 HB2 LEU 11 18.643 19.608 16.198
52 HB3 LEU 11 HB3 LEU 11 17.905 18.042 16.330
53 HG LEU 11 HG LEU 11 20.379 18.140 16.645
54 H CYS 12 H CYS 12 15.834 17.414 14.131
55 HA CYS 12 HA CYS 12 13.844 19.320 13.751
56 HB2 CYS 12 HB2 CYS 12 13.156 16.662 14.988
57 HB3 CYS 12 HB3 CYS 12 12.415 17.511 13.648
58 H TYR 13 H TYR 13 14.332 17.378 16.718
59 HA TYR 13 HA TYR 13 13.642 19.679 18.430
60 HB2 TYR 13 HB2 TYR 13 11.887 17.296 17.913
61 HB3 TYR 13 HB3 TYR 13 12.037 17.775 19.585
62 HD1 TYR 13 HD1 TYR 13 11.749 20.275 20.184
63 HD2 TYR 13 HD2 TYR 13 10.274 18.479 16.552
64 HE1 TYR 13 HE1 TYR 13 10.165 22.166 19.900
65 HE2 TYR 13 HE2 TYR 13 8.685 20.378 16.267
66 HH TYR 13 HH TYR 13 8.592 23.058 18.636
67 H ASP 14 H ASP 14 15.961 17.832 17.847
68 HA ASP 14 HA ASP 14 17.401 16.435 18.764
69 HB2 ASP 14 HB2 ASP 14 18.634 17.263 20.603
70 HB3 ASP 14 HB3 ASP 14 18.119 18.580 19.545
71 H THR 15 H THR 15 17.815 15.425 21.494
72 HA THR 15 HA THR 15 15.207 14.163 22.123
73 HB THR 15 HB THR 15 16.158 11.939 22.499
74 HG1 THR 15 HG1 THR 15 18.279 12.362 22.604
75 H ILE 16 H ILE 16 16.910 16.239 23.329
76 HA ILE 16 HA ILE 16 16.400 15.309 26.064
77 HB ILE 16 HB ILE 16 19.196 16.078 25.175
78 H GLY 17 H GLY 17 17.551 17.928 23.966
79 HA2 GLY 17 HA2 GLY 17 15.900 19.907 24.373
80 HA3 GLY 17 HA3 GLY 17 16.715 19.991 25.931
81 H THR 18 H THR 18 19.247 19.070 24.413
82 HA THR 18 HA THR 18 19.948 21.416 22.779
83 HB THR 18 HB THR 18 21.550 20.991 25.335
84 HG1 THR 18 HG1 THR 18 19.264 22.510 24.893
85 H CYS 19 H CYS 19 21.087 18.483 24.526
86 HA CYS 19 HA CYS 19 22.530 17.548 22.176
87 HB2 CYS 19 HB2 CYS 19 23.979 19.357 23.431
88 HB3 CYS 19 HB3 CYS 19 24.119 18.156 24.701
89 H VAL 20 H VAL 20 23.353 15.312 22.589
90 HA VAL 20 HA VAL 20 22.837 14.185 25.259
91 HB VAL 20 HB VAL 20 20.715 13.884 24.064
92 H ASP 21 H ASP 21 24.299 12.566 25.776
93 HA ASP 21 HA ASP 21 26.399 11.669 25.693
94 HB2 ASP 21 HB2 ASP 21 25.443 10.665 22.991
95 HB3 ASP 21 HB3 ASP 21 26.676 9.944 24.017
96 H GLY 22 H GLY 22 26.231 14.403 24.487
97 HA2 GLY 22 HA2 GLY 22 27.899 15.848 23.701
98 HA3 GLY 22 HA3 GLY 22 28.908 14.459 23.276
99 H LYS 23 H LYS 23 25.850 13.926 21.932
100 HA LYS 23 HA LYS 23 26.466 15.329 19.365
101 HB2 LYS 23 HB2 LYS 23 27.254 12.830 19.639
102 HB3 LYS 23 HB3 LYS 23 25.537 12.440 19.561
103 HG2 LYS 23 HG2 LYS 23 25.585 13.875 17.348
104 HG3 LYS 23 HG3 LYS 23 27.328 13.672 17.442
105 HD2 LYS 23 HD2 LYS 23 25.204 11.502 17.245
106 HD3 LYS 23 HD3 LYS 23 26.293 12.002 15.954
107 HE2 LYS 23 HE2 LYS 23 27.179 10.637 18.543
108 HE3 LYS 23 HE3 LYS 23 26.803 9.799 17.043
109 HZ1 LYS 23 HZ1 LYS 23 29.128 10.090 17.087
110 HZ2 LYS 23 HZ2 LYS 23 29.058 11.666 17.535
111 HZ3 LYS 23 HZ3 LYS 23 28.614 11.173 16.009
112 H CYS 24 H CYS 24 24.707 16.375 18.594
113 HA CYS 24 HA CYS 24 22.148 16.152 19.910
114 HB2 CYS 24 HB2 CYS 24 23.497 18.011 18.356
115 HB3 CYS 24 HB3 CYS 24 22.248 17.469 17.263
116 H LYS 25 H LYS 25 20.361 14.939 19.367
117 HA LYS 25 HA LYS 25 20.410 13.262 16.866
118 HB2 LYS 25 HB2 LYS 25 19.804 12.509 19.758
119 HB3 LYS 25 HB3 LYS 25 19.176 11.589 18.385
120 HG2 LYS 25 HG2 LYS 25 21.424 11.040 17.641
121 HG3 LYS 25 HG3 LYS 25 22.137 12.030 18.919
122 HD2 LYS 25 HD2 LYS 25 22.133 9.561 19.362
123 HD3 LYS 25 HD3 LYS 25 21.418 10.516 20.644
124 HE2 LYS 25 HE2 LYS 25 19.639 9.340 18.499
125 HE3 LYS 25 HE3 LYS 25 20.288 8.277 19.751
126 HZ1 LYS 25 HZ1 LYS 25 19.115 9.359 21.412
127 HZ2 LYS 25 HZ2 LYS 25 18.050 9.327 20.222
128 HZ3 LYS 25 HZ3 LYS 25 18.822 10.738 20.542
129 H CYS 26 H CYS 26 18.562 13.536 15.670
130 HA CYS 26 HA CYS 26 16.271 15.009 16.838
131 HB2 CYS 26 HB2 CYS 26 16.767 15.669 14.611
132 HB3 CYS 26 HB3 CYS 26 17.030 14.014 14.082
133 H MET 27 H MET 27 14.212 14.165 17.073
134 HA MET 27 HA MET 27 13.917 11.472 17.942
135 HB2 MET 27 HB2 MET 27 12.507 13.452 18.640
136 HB3 MET 27 HB3 MET 27 11.761 13.418 17.032
137 HG2 MET 27 HG2 MET 27 11.081 11.008 17.516
138 HG3 MET 27 HG3 MET 27 11.702 11.235 19.149
139 HE1 MET 27 HE1 MET 27 8.853 11.764 16.630
140 HE2 MET 27 HE2 MET 27 7.871 13.074 17.323
141 HE3 MET 27 HE3 MET 27 9.473 13.428 16.643
Start of MODEL 19
1 H1 ALA 1 H1 ALA 1 28.914 17.374 22.122
2 H2 ALA 1 H2 ALA 1 29.430 16.012 21.396
3 H3 ALA 1 H3 ALA 1 27.823 16.227 21.535
4 HA ALA 1 HA ALA 1 29.694 17.807 19.935
5 HB1 ALA 1 HB1 ALA 1 29.157 15.483 19.061
6 HB2 ALA 1 HB2 ALA 1 27.485 16.051 18.835
7 HB3 ALA 1 HB3 ALA 1 28.820 16.831 17.976
8 H CYS 2 H CYS 2 26.712 18.023 21.693
9 HA CYS 2 HA CYS 2 25.787 20.221 19.926
10 HB2 CYS 2 HB2 CYS 2 24.051 19.579 22.149
11 HB3 CYS 2 HB3 CYS 2 23.717 19.725 20.456
12 H VAL 3 H VAL 3 26.419 22.209 20.499
13 HA VAL 3 HA VAL 3 27.331 22.755 23.266
14 HB VAL 3 HB VAL 3 27.321 24.565 20.820
15 H THR 4 H THR 4 24.652 23.506 21.115
16 HA THR 4 HA THR 4 22.988 24.527 23.334
17 HB THR 4 HB THR 4 22.838 26.238 20.935
18 HG1 THR 4 HG1 THR 4 25.007 25.852 20.744
19 H HIS 5 H HIS 5 20.838 25.411 22.126
20 HA HIS 5 HA HIS 5 19.637 23.121 20.806
21 HB2 HIS 5 HB2 HIS 5 17.655 24.647 20.640
22 HB3 HIS 5 HB3 HIS 5 18.262 24.365 22.262
23 HD2 HIS 5 HD2 HIS 5 17.605 26.501 23.535
24 HE1 HIS 5 HE1 HIS 5 18.902 29.474 20.766
25 HE2 HIS 5 HE2 HIS 5 17.893 29.086 23.070
26 H GLU 6 H GLU 6 20.574 26.367 19.628
27 HA GLU 6 HA GLU 6 19.884 26.144 16.965
28 HB2 GLU 6 HB2 GLU 6 20.750 28.179 17.848
29 HB3 GLU 6 HB3 GLU 6 22.280 27.454 18.309
30 HG2 GLU 6 HG2 GLU 6 21.512 27.551 15.372
31 HG3 GLU 6 HG3 GLU 6 22.057 29.013 16.178
32 H ASP 7 H ASP 7 22.667 24.603 18.560
33 HA ASP 7 HA ASP 7 23.991 23.776 16.175
34 HB2 ASP 7 HB2 ASP 7 24.049 22.494 18.935
35 HB3 ASP 7 HB3 ASP 7 25.173 22.159 17.613
36 H CYS 8 H CYS 8 21.030 22.743 17.439
37 HA CYS 8 HA CYS 8 21.085 20.337 15.688
38 HB2 CYS 8 HB2 CYS 8 19.435 20.739 18.197
39 HB3 CYS 8 HB3 CYS 8 19.648 19.267 17.237
40 H THR 9 H THR 9 20.543 23.133 14.897
41 HA THR 9 HA THR 9 17.803 23.644 14.570
42 HB THR 9 HB THR 9 20.131 24.380 12.776
43 HG1 THR 9 HG1 THR 9 20.203 25.369 14.701
44 H LEU 10 H LEU 10 19.767 21.376 12.721
45 HA LEU 10 HA LEU 10 17.756 20.811 10.730
46 HB2 LEU 10 HB2 LEU 10 20.181 20.471 10.519
47 HB3 LEU 10 HB3 LEU 10 20.157 19.200 11.723
48 HG LEU 10 HG LEU 10 18.456 18.947 9.222
49 H LEU 11 H LEU 11 18.166 19.771 14.052
50 HA LEU 11 HA LEU 11 16.480 17.386 13.610
51 HB2 LEU 11 HB2 LEU 11 18.130 18.371 15.905
52 HB3 LEU 11 HB3 LEU 11 16.998 17.027 16.080
53 HG LEU 11 HG LEU 11 19.043 16.016 15.885
54 H CYS 12 H CYS 12 14.470 17.216 14.141
55 HA CYS 12 HA CYS 12 12.878 19.418 14.265
56 HB2 CYS 12 HB2 CYS 12 11.662 16.912 15.317
57 HB3 CYS 12 HB3 CYS 12 11.168 17.968 14.013
58 H TYR 13 H TYR 13 13.359 17.189 17.024
59 HA TYR 13 HA TYR 13 12.834 19.422 18.932
60 HB2 TYR 13 HB2 TYR 13 11.168 17.018 18.426
61 HB3 TYR 13 HB3 TYR 13 11.642 17.160 20.090
62 HD1 TYR 13 HD1 TYR 13 11.144 19.233 21.403
63 HD2 TYR 13 HD2 TYR 13 9.463 18.496 17.502
64 HE1 TYR 13 HE1 TYR 13 9.314 20.864 21.884
65 HE2 TYR 13 HE2 TYR 13 7.650 20.142 17.974
66 HH TYR 13 HH TYR 13 7.373 21.820 21.113
67 H ASP 14 H ASP 14 15.103 17.429 17.905
68 HA ASP 14 HA ASP 14 16.887 16.298 18.803
69 HB2 ASP 14 HB2 ASP 14 16.529 18.261 21.116
70 HB3 ASP 14 HB3 ASP 14 18.041 17.583 20.454
71 H THR 15 H THR 15 17.612 15.809 21.489
72 HA THR 15 HA THR 15 15.546 13.792 22.270
73 HB THR 15 HB THR 15 18.476 13.510 22.933
74 HG1 THR 15 HG1 THR 15 17.206 13.057 20.469
75 H ILE 16 H ILE 16 14.750 14.006 24.235
76 HA ILE 16 HA ILE 16 14.209 14.794 26.252
77 HB ILE 16 HB ILE 16 17.195 15.072 26.669
78 H GLY 17 H GLY 17 16.768 17.107 25.200
79 HA2 GLY 17 HA2 GLY 17 14.833 19.177 24.879
80 HA3 GLY 17 HA3 GLY 17 15.604 19.389 26.457
81 H THR 18 H THR 18 18.239 18.892 26.064
82 HA THR 18 HA THR 18 19.017 20.927 24.008
83 HB THR 18 HB THR 18 21.161 20.994 25.348
84 HG1 THR 18 HG1 THR 18 20.950 20.199 27.483
85 H CYS 19 H CYS 19 20.205 17.833 25.380
86 HA CYS 19 HA CYS 19 21.046 16.764 22.784
87 HB2 CYS 19 HB2 CYS 19 22.703 18.627 23.435
88 HB3 CYS 19 HB3 CYS 19 23.043 17.732 24.890
89 H VAL 20 H VAL 20 21.805 14.535 23.095
90 HA VAL 20 HA VAL 20 22.094 13.526 25.879
91 HB VAL 20 HB VAL 20 20.233 12.323 23.784
92 H ASP 21 H ASP 21 23.424 11.629 25.971
93 HA ASP 21 HA ASP 21 25.447 10.697 25.457
94 HB2 ASP 21 HB2 ASP 21 23.589 9.854 23.227
95 HB3 ASP 21 HB3 ASP 21 25.222 9.208 23.366
96 H GLY 22 H GLY 22 25.265 13.481 24.574
97 HA2 GLY 22 HA2 GLY 22 26.721 14.983 23.593
98 HA3 GLY 22 HA3 GLY 22 27.823 13.635 23.233
99 H LYS 23 H LYS 23 24.586 13.221 22.007
100 HA LYS 23 HA LYS 23 25.257 14.316 19.310
101 HB2 LYS 23 HB2 LYS 23 24.980 11.441 20.152
102 HB3 LYS 23 HB3 LYS 23 24.109 11.906 18.697
103 HG2 LYS 23 HG2 LYS 23 26.111 12.711 17.621
104 HG3 LYS 23 HG3 LYS 23 27.085 12.417 19.072
105 HD2 LYS 23 HD2 LYS 23 26.924 10.058 18.863
106 HD3 LYS 23 HD3 LYS 23 25.553 10.150 17.735
107 HE2 LYS 23 HE2 LYS 23 26.924 11.056 15.977
108 HE3 LYS 23 HE3 LYS 23 28.310 11.250 17.056
109 HZ1 LYS 23 HZ1 LYS 23 28.658 8.939 17.116
110 HZ2 LYS 23 HZ2 LYS 23 28.348 9.231 15.564
111 HZ3 LYS 23 HZ3 LYS 23 27.188 8.543 16.505
112 H CYS 24 H CYS 24 23.579 15.437 18.546
113 HA CYS 24 HA CYS 24 20.973 15.305 19.852
114 HB2 CYS 24 HB2 CYS 24 22.304 17.003 17.822
115 HB3 CYS 24 HB3 CYS 24 20.586 16.760 17.546
116 H LYS 25 H LYS 25 19.088 14.394 19.154
117 HA LYS 25 HA LYS 25 18.998 13.100 16.481
118 HB2 LYS 25 HB2 LYS 25 19.641 11.702 18.811
119 HB3 LYS 25 HB3 LYS 25 17.905 11.463 18.704
120 HG2 LYS 25 HG2 LYS 25 18.153 10.563 16.410
121 HG3 LYS 25 HG3 LYS 25 19.913 10.888 16.478
122 HD2 LYS 25 HD2 LYS 25 20.128 9.334 18.409
123 HD3 LYS 25 HD3 LYS 25 18.390 9.055 18.389
124 HE2 LYS 25 HE2 LYS 25 19.450 7.186 17.346
125 HE3 LYS 25 HE3 LYS 25 18.550 8.083 16.115
126 HZ1 LYS 25 HZ1 LYS 25 20.749 7.432 15.350
127 HZ2 LYS 25 HZ2 LYS 25 21.485 8.196 16.586
128 HZ3 LYS 25 HZ3 LYS 25 20.699 9.083 15.433
129 H CYS 26 H CYS 26 17.051 13.398 15.499
130 HA CYS 26 HA CYS 26 15.002 14.966 16.864
131 HB2 CYS 26 HB2 CYS 26 15.279 15.528 14.576
132 HB3 CYS 26 HB3 CYS 26 15.278 13.836 14.076
133 H MET 27 H MET 27 13.196 14.310 17.776
134 HA MET 27 HA MET 27 11.574 13.054 18.632
135 HB2 MET 27 HB2 MET 27 11.148 12.788 16.075
136 HB3 MET 27 HB3 MET 27 11.644 11.106 16.319
137 HG2 MET 27 HG2 MET 27 9.427 12.589 17.817
138 HG3 MET 27 HG3 MET 27 9.168 11.587 16.409
139 HE1 MET 27 HE1 MET 27 10.996 8.988 16.924
140 HE2 MET 27 HE2 MET 27 9.755 7.978 17.644
141 HE3 MET 27 HE3 MET 27 9.351 9.032 16.296
Start of MODEL 20
1 H1 ALA 1 H1 ALA 1 28.714 18.692 19.213
2 H2 ALA 1 H2 ALA 1 29.217 17.255 18.606
3 H3 ALA 1 H3 ALA 1 27.634 17.448 18.914
4 HA ALA 1 HA ALA 1 29.189 18.897 16.904
5 HB1 ALA 1 HB1 ALA 1 27.920 17.641 15.242
6 HB2 ALA 1 HB2 ALA 1 28.768 16.527 16.325
7 HB3 ALA 1 HB3 ALA 1 27.018 16.804 16.500
8 H CYS 2 H CYS 2 27.145 19.818 19.145
9 HA CYS 2 HA CYS 2 25.558 21.540 17.355
10 HB2 CYS 2 HB2 CYS 2 24.352 20.799 19.965
11 HB3 CYS 2 HB3 CYS 2 23.574 21.188 18.456
12 H VAL 3 H VAL 3 25.116 23.596 18.437
13 HA VAL 3 HA VAL 3 26.940 24.165 20.767
14 HB VAL 3 HB VAL 3 26.061 26.057 18.568
15 H THR 4 H THR 4 23.800 25.115 19.300
16 HA THR 4 HA THR 4 22.578 25.002 21.934
17 HB THR 4 HB THR 4 22.271 27.738 20.671
18 HG1 THR 4 HG1 THR 4 24.348 26.846 22.303
19 H HIS 5 H HIS 5 21.908 26.699 18.818
20 HA HIS 5 HA HIS 5 19.757 24.777 18.221
21 HB2 HIS 5 HB2 HIS 5 18.041 26.588 18.011
22 HB3 HIS 5 HB3 HIS 5 18.499 26.193 19.664
23 HD2 HIS 5 HD2 HIS 5 19.112 28.180 21.205
24 HE1 HIS 5 HE1 HIS 5 19.874 31.195 18.290
25 HE2 HIS 5 HE2 HIS 5 19.700 30.717 20.784
26 H GLU 6 H GLU 6 21.169 27.950 17.256
27 HA GLU 6 HA GLU 6 20.566 27.822 14.587
28 HB2 GLU 6 HB2 GLU 6 22.229 29.414 16.263
29 HB3 GLU 6 HB3 GLU 6 23.295 28.860 14.963
30 HG2 GLU 6 HG2 GLU 6 22.311 30.995 14.363
31 HG3 GLU 6 HG3 GLU 6 21.667 29.753 13.287
32 H ASP 7 H ASP 7 23.245 26.135 16.178
33 HA ASP 7 HA ASP 7 24.293 25.124 13.647
34 HB2 ASP 7 HB2 ASP 7 24.830 24.362 16.541
35 HB3 ASP 7 HB3 ASP 7 25.536 23.488 15.198
36 H CYS 8 H CYS 8 21.370 24.458 14.906
37 HA CYS 8 HA CYS 8 21.198 21.934 13.407
38 HB2 CYS 8 HB2 CYS 8 19.730 22.637 15.997
39 HB3 CYS 8 HB3 CYS 8 19.648 21.105 15.108
40 H THR 9 H THR 9 20.701 24.814 12.655
41 HA THR 9 HA THR 9 17.988 25.527 12.694
42 HB THR 9 HB THR 9 19.991 25.976 10.404
43 HG1 THR 9 HG1 THR 9 20.734 26.894 12.286
44 H LEU 10 H LEU 10 19.476 23.011 10.751
45 HA LEU 10 HA LEU 10 17.074 22.652 9.085
46 HB2 LEU 10 HB2 LEU 10 18.308 20.725 8.155
47 HB3 LEU 10 HB3 LEU 10 19.113 22.272 7.973
48 HG LEU 10 HG LEU 10 20.004 20.914 10.422
49 H LEU 11 H LEU 11 17.975 21.565 12.239
50 HA LEU 11 HA LEU 11 16.471 19.038 12.017
51 HB2 LEU 11 HB2 LEU 11 17.870 20.374 14.350
52 HB3 LEU 11 HB3 LEU 11 16.848 18.980 14.526
53 HG LEU 11 HG LEU 11 19.068 18.217 14.537
54 H CYS 12 H CYS 12 14.415 18.852 12.359
55 HA CYS 12 HA CYS 12 12.752 20.994 12.414
56 HB2 CYS 12 HB2 CYS 12 11.556 18.553 13.593
57 HB3 CYS 12 HB3 CYS 12 11.067 19.536 12.232
58 H TYR 13 H TYR 13 13.245 18.919 15.320
59 HA TYR 13 HA TYR 13 13.136 21.303 17.012
60 HB2 TYR 13 HB2 TYR 13 10.738 20.022 16.550
61 HB3 TYR 13 HB3 TYR 13 11.267 19.201 17.997
62 HD1 TYR 13 HD1 TYR 13 12.635 21.575 19.448
63 HD2 TYR 13 HD2 TYR 13 8.917 21.279 17.270
64 HE1 TYR 13 HE1 TYR 13 11.715 23.481 20.747
65 HE2 TYR 13 HE2 TYR 13 7.988 23.145 18.631
66 HH TYR 13 HH TYR 13 8.361 24.624 20.375
67 H ASP 14 H ASP 14 15.013 19.086 16.238
68 HA ASP 14 HA ASP 14 16.502 17.608 17.145
69 HB2 ASP 14 HB2 ASP 14 17.375 19.551 18.135
70 HB3 ASP 14 HB3 ASP 14 16.152 19.598 19.395
71 H THR 15 H THR 15 16.997 16.119 19.117
72 HA THR 15 HA THR 15 14.784 14.250 19.343
73 HB THR 15 HB THR 15 17.428 14.390 20.811
74 HG1 THR 15 HG1 THR 15 17.184 14.122 18.433
75 H ILE 16 H ILE 16 16.018 16.961 21.302
76 HA ILE 16 HA ILE 16 13.619 16.632 23.063
77 HB ILE 16 HB ILE 16 16.406 17.391 24.013
78 H GLY 17 H GLY 17 16.207 18.972 22.230
79 HA2 GLY 17 HA2 GLY 17 14.494 21.094 21.584
80 HA3 GLY 17 HA3 GLY 17 14.762 21.229 23.326
81 H THR 18 H THR 18 17.507 19.922 21.731
82 HA THR 18 HA THR 18 18.740 22.361 20.851
83 HB THR 18 HB THR 18 20.647 22.313 22.518
84 HG1 THR 18 HG1 THR 18 20.051 20.417 23.649
85 H CYS 19 H CYS 19 19.436 19.099 22.236
86 HA CYS 19 HA CYS 19 20.943 18.155 20.060
87 HB2 CYS 19 HB2 CYS 19 22.509 20.046 20.946
88 HB3 CYS 19 HB3 CYS 19 22.659 19.100 22.412
89 H VAL 20 H VAL 20 21.626 15.944 20.513
90 HA VAL 20 HA VAL 20 21.557 15.060 23.355
91 HB VAL 20 HB VAL 20 19.343 14.574 22.218
92 H ASP 21 H ASP 21 23.027 13.314 23.789
93 HA ASP 21 HA ASP 21 25.138 12.422 23.571
94 HB2 ASP 21 HB2 ASP 21 23.935 11.549 20.912
95 HB3 ASP 21 HB3 ASP 21 25.294 10.794 21.730
96 H GLY 22 H GLY 22 25.050 15.214 22.394
97 HA2 GLY 22 HA2 GLY 22 26.563 16.604 21.299
98 HA3 GLY 22 HA3 GLY 22 27.690 15.240 21.145
99 H LYS 23 H LYS 23 24.385 14.932 19.967
100 HA LYS 23 HA LYS 23 25.131 15.421 17.120
101 HB2 LYS 23 HB2 LYS 23 23.953 12.869 18.330
102 HB3 LYS 23 HB3 LYS 23 24.042 13.214 16.601
103 HG2 LYS 23 HG2 LYS 23 26.488 13.233 16.674
104 HG3 LYS 23 HG3 LYS 23 26.472 13.006 18.429
105 HD2 LYS 23 HD2 LYS 23 25.376 10.811 18.164
106 HD3 LYS 23 HD3 LYS 23 25.477 10.979 16.391
107 HE2 LYS 23 HE2 LYS 23 27.934 11.161 16.520
108 HE3 LYS 23 HE3 LYS 23 27.854 11.195 18.285
109 HZ1 LYS 23 HZ1 LYS 23 27.007 8.914 18.235
110 HZ2 LYS 23 HZ2 LYS 23 28.523 9.068 17.606
111 HZ3 LYS 23 HZ3 LYS 23 27.202 8.830 16.622
112 H CYS 24 H CYS 24 23.582 16.608 16.175
113 HA CYS 24 HA CYS 24 20.962 16.903 17.517
114 HB2 CYS 24 HB2 CYS 24 22.666 18.526 15.919
115 HB3 CYS 24 HB3 CYS 24 21.198 18.300 14.989
116 H LYS 25 H LYS 25 19.233 15.719 17.039
117 HA LYS 25 HA LYS 25 18.924 14.558 14.289
118 HB2 LYS 25 HB2 LYS 25 19.050 13.006 16.890
119 HB3 LYS 25 HB3 LYS 25 17.972 12.472 15.606
120 HG2 LYS 25 HG2 LYS 25 19.884 12.439 14.012
121 HG3 LYS 25 HG3 LYS 25 20.993 12.845 15.338
122 HD2 LYS 25 HD2 LYS 25 20.540 10.739 16.452
123 HD3 LYS 25 HD3 LYS 25 19.141 10.423 15.423
124 HE2 LYS 25 HE2 LYS 25 20.842 8.988 14.624
125 HE3 LYS 25 HE3 LYS 25 20.645 10.276 13.430
126 HZ1 LYS 25 HZ1 LYS 25 22.624 11.351 14.495
127 HZ2 LYS 25 HZ2 LYS 25 22.965 9.910 13.789
128 HZ3 LYS 25 HZ3 LYS 25 22.826 9.987 15.422
129 H CYS 26 H CYS 26 16.856 14.498 13.537
130 HA CYS 26 HA CYS 26 14.802 15.832 15.258
131 HB2 CYS 26 HB2 CYS 26 15.081 17.117 13.293
132 HB3 CYS 26 HB3 CYS 26 15.162 15.684 12.249
133 H MET 27 H MET 27 12.977 14.847 15.773
134 HA MET 27 HA MET 27 11.656 12.738 14.384
135 HB2 MET 27 HB2 MET 27 13.166 11.990 16.957
136 HB3 MET 27 HB3 MET 27 11.703 11.163 16.402
137 HG2 MET 27 HG2 MET 27 12.977 10.787 14.183
138 HG3 MET 27 HG3 MET 27 14.412 11.121 15.131
139 HE1 MET 27 HE1 MET 27 14.420 8.193 17.750
140 HE2 MET 27 HE2 MET 27 15.276 9.634 17.148
141 HE3 MET 27 HE3 MET 27 13.717 9.807 18.005