Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
555039 | 2lx4 RC | 18658 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H MET 1 -5.141 -3.628 -6.220
2 HA MET 1 HA MET 1 -7.755 -3.752 -4.868
3 HB2 MET 1 2HB MET 1 -6.848 -5.291 -3.246
4 HB3 MET 1 3HB MET 1 -6.584 -5.944 -4.857
5 HG2 MET 1 2HG MET 1 -4.260 -4.818 -4.658
6 HG3 MET 1 3HG MET 1 -4.608 -4.809 -2.931
7 HE1 MET 1 3HE MET 1 -4.601 -6.892 -6.112
8 HE2 MET 1 1HE MET 1 -2.892 -6.963 -5.681
9 HE3 MET 1 2HE MET 1 -3.875 -8.426 -5.630
10 H GLY 2 H GLY 2 -4.403 -2.690 -4.756
11 HA2 GLY 2 2HA GLY 2 -3.629 -0.689 -3.827
12 HA3 GLY 2 3HA GLY 2 -5.179 -0.491 -3.022
13 H SER 3 H SER 3 -3.210 -3.395 -2.853
14 HA SER 3 HA SER 3 -2.382 -4.531 -1.056
15 HB2 SER 3 2HB SER 3 -0.507 -3.145 -1.116
16 HB3 SER 3 3HB SER 3 -1.425 -1.715 -0.645
17 HG SER 3 HG SER 3 -0.264 -3.671 0.919
18 H LEU 4 H LEU 4 -4.472 -5.111 -0.267
19 HA LEU 4 HA LEU 4 -6.101 -3.658 1.416
20 HB2 LEU 4 2HB LEU 4 -7.183 -5.627 1.902
21 HB3 LEU 4 3HB LEU 4 -6.377 -6.020 0.385
22 HG LEU 4 HG LEU 4 -4.514 -6.912 2.071
23 HD11 LEU 4 1HD1 LEU 4 -5.228 -6.801 4.184
24 HD12 LEU 4 2HD1 LEU 4 -6.263 -8.165 3.765
25 HD13 LEU 4 3HD1 LEU 4 -6.902 -6.523 3.702
26 HD21 LEU 4 3HD2 LEU 4 -6.991 -8.518 1.478
27 HD22 LEU 4 1HD2 LEU 4 -5.339 -9.104 1.670
28 HD23 LEU 4 2HD2 LEU 4 -5.770 -8.127 0.266
29 H PHE 5 H PHE 5 -3.032 -5.100 2.083
30 HA PHE 5 HA PHE 5 -3.138 -5.421 4.843
31 HB2 PHE 5 2HB PHE 5 -0.872 -4.693 2.994
32 HB3 PHE 5 3HB PHE 5 -0.628 -4.924 4.722
33 HD1 PHE 5 HD1 PHE 5 -2.375 -7.197 5.294
34 HD2 PHE 5 HD2 PHE 5 0.187 -6.475 1.973
35 HE1 PHE 5 HE1 PHE 5 -2.158 -9.622 4.939
36 HE2 PHE 5 HE2 PHE 5 0.408 -8.899 1.612
37 HZ PHE 5 HZ PHE 5 -0.766 -10.476 3.095
38 H ARG 6 H ARG 6 -2.790 -2.529 2.914
39 HA ARG 6 HA ARG 6 -1.928 -0.806 4.994
40 HB2 ARG 6 2HB ARG 6 -2.279 -0.586 2.261
41 HB3 ARG 6 3HB ARG 6 -3.528 0.469 2.908
42 HG2 ARG 6 2HG ARG 6 -0.788 0.712 4.022
43 HG3 ARG 6 3HG ARG 6 -1.091 1.338 2.400
44 HD2 ARG 6 2HD ARG 6 -2.707 2.858 3.174
45 HD3 ARG 6 3HD ARG 6 -2.857 2.035 4.726
46 HE ARG 6 HE ARG 6 -0.236 2.917 4.530
47 HH11 ARG 6 1HH1 ARG 6 -3.428 4.303 4.640
48 HH12 ARG 6 2HH1 ARG 6 -2.905 5.772 5.394
49 HH21 ARG 6 1HH2 ARG 6 0.464 4.848 5.522
50 HH22 ARG 6 2HH2 ARG 6 -0.691 6.082 5.894
51 H SER 7 H SER 7 -5.057 -1.928 3.924
52 HA SER 7 HA SER 7 -6.599 0.017 5.321
53 HB2 SER 7 2HB SER 7 -7.979 -2.508 4.953
54 HB3 SER 7 3HB SER 7 -8.306 -0.938 4.219
55 HG SER 7 HG SER 7 -7.650 -1.936 2.478
56 H GLU 8 H GLU 8 -5.366 -3.185 6.106
57 HA GLU 8 HA GLU 8 -6.746 -3.269 8.644
58 HB2 GLU 8 2HB GLU 8 -5.146 -5.111 7.017
59 HB3 GLU 8 3HB GLU 8 -4.851 -5.257 8.744
60 HG2 GLU 8 2HG GLU 8 -7.217 -5.621 9.141
61 HG3 GLU 8 3HG GLU 8 -7.551 -5.417 7.422
62 H SER 9 H SER 9 -3.541 -2.517 7.442
63 HA SER 9 HA SER 9 -2.155 -2.544 9.885
64 HB2 SER 9 2HB SER 9 -1.148 -2.421 7.562
65 HB3 SER 9 3HB SER 9 -1.560 -0.707 7.561
66 HG SER 9 HG SER 9 0.610 -1.741 8.497
67 H MET 10 H MET 10 -3.883 0.055 8.204
68 HA MET 10 HA MET 10 -3.278 2.027 10.184
69 HB2 MET 10 2HB MET 10 -5.167 1.908 7.849
70 HB3 MET 10 3HB MET 10 -5.207 3.257 8.977
71 HG2 MET 10 2HG MET 10 -2.535 2.611 7.985
72 HG3 MET 10 3HG MET 10 -3.671 3.119 6.737
73 HE1 MET 10 3HE MET 10 -0.876 5.228 8.587
74 HE2 MET 10 1HE MET 10 -1.753 5.269 10.117
75 HE3 MET 10 2HE MET 10 -1.415 3.724 9.336
76 H CYS 11 H CYS 11 -5.466 -0.546 10.040
77 HA CYS 11 HA CYS 11 -7.522 0.651 11.668
78 HB2 CYS 11 2HB CYS 11 -7.138 -1.847 10.216
79 HB3 CYS 11 3HB CYS 11 -7.870 -2.100 11.796
80 HG CYS 11 HG CYS 11 -10.098 -0.592 11.357
81 H LEU 12 H LEU 12 -4.697 -1.360 12.145
82 HA LEU 12 HA LEU 12 -5.315 -1.644 14.993
83 HB2 LEU 12 2HB LEU 12 -2.973 -2.817 13.518
84 HB3 LEU 12 3HB LEU 12 -3.622 -3.302 15.083
85 HG LEU 12 HG LEU 12 -5.615 -3.580 13.015
86 HD11 LEU 12 1HD1 LEU 12 -4.645 -4.989 11.500
87 HD12 LEU 12 2HD1 LEU 12 -3.360 -5.476 12.605
88 HD13 LEU 12 3HD1 LEU 12 -3.294 -3.900 11.816
89 HD21 LEU 12 3HD2 LEU 12 -4.235 -5.533 14.854
90 HD22 LEU 12 1HD2 LEU 12 -5.681 -5.873 13.902
91 HD23 LEU 12 2HD2 LEU 12 -5.733 -4.660 15.182
92 H ALA 13 H ALA 13 -2.822 -0.376 12.823
93 HA ALA 13 HA ALA 13 -0.920 0.454 14.626
94 HB1 ALA 13 3HB ALA 13 -0.189 2.033 12.989
95 HB2 ALA 13 1HB ALA 13 -0.773 0.603 12.138
96 HB3 ALA 13 2HB ALA 13 -1.776 2.052 12.220
97 H GLN 14 H GLN 14 -3.919 2.096 13.714
98 HA GLN 14 HA GLN 14 -3.514 4.510 15.040
99 HB2 GLN 14 2HB GLN 14 -5.828 3.013 14.010
100 HB3 GLN 14 3HB GLN 14 -6.204 4.131 15.315
101 HG2 GLN 14 2HG GLN 14 -6.277 4.888 12.808
102 HG3 GLN 14 3HG GLN 14 -5.703 5.972 14.074
103 HE21 GLN 14 1HE2 GLN 14 -4.302 3.330 12.156
104 HE22 GLN 14 2HE2 GLN 14 -2.896 4.205 11.665
105 H LEU 15 H LEU 15 -5.259 1.636 16.229
106 HA LEU 15 HA LEU 15 -5.398 2.693 18.900
107 HB2 LEU 15 2HB LEU 15 -6.463 0.407 17.436
108 HB3 LEU 15 3HB LEU 15 -6.002 0.018 19.092
109 HG LEU 15 HG LEU 15 -8.361 0.573 18.960
110 HD11 LEU 15 1HD1 LEU 15 -6.813 2.779 20.309
111 HD12 LEU 15 2HD1 LEU 15 -7.077 1.170 20.979
112 HD13 LEU 15 3HD1 LEU 15 -8.448 2.244 20.698
113 HD21 LEU 15 3HD2 LEU 15 -8.798 3.119 18.514
114 HD22 LEU 15 1HD2 LEU 15 -8.708 1.974 17.175
115 HD23 LEU 15 2HD2 LEU 15 -7.319 2.990 17.560
116 H PHE 16 H PHE 16 -2.872 1.564 17.242
117 HA PHE 16 HA PHE 16 -1.752 -0.138 19.323
118 HB2 PHE 16 2HB PHE 16 -1.065 -1.045 17.340
119 HB3 PHE 16 3HB PHE 16 -1.071 0.505 16.506
120 HD1 PHE 16 HD1 PHE 16 0.862 1.962 16.569
121 HD2 PHE 16 HD2 PHE 16 0.877 -1.805 18.550
122 HE1 PHE 16 HE1 PHE 16 3.310 2.086 16.779
123 HE2 PHE 16 HE2 PHE 16 3.325 -1.687 18.765
124 HZ PHE 16 HZ PHE 16 4.545 0.261 17.879
125 H LEU 17 H LEU 17 -1.571 3.122 18.165
126 HA LEU 17 HA LEU 17 0.878 3.719 19.590
127 HB2 LEU 17 2HB LEU 17 -0.947 5.804 18.478
128 HB3 LEU 17 3HB LEU 17 0.811 5.808 18.600
129 HG LEU 17 HG LEU 17 0.037 3.709 16.837
130 HD11 LEU 17 1HD1 LEU 17 -0.996 6.359 15.888
131 HD12 LEU 17 2HD1 LEU 17 -2.044 5.194 16.695
132 HD13 LEU 17 3HD1 LEU 17 -1.239 4.758 15.189
133 HD21 LEU 17 3HD2 LEU 17 1.738 4.540 15.614
134 HD22 LEU 17 1HD2 LEU 17 2.067 5.465 17.079
135 HD23 LEU 17 2HD2 LEU 17 1.170 6.204 15.753
Start of MODEL 2
1 H1 MET 1 H MET 1 -9.181 -6.870 -4.641
2 HA MET 1 HA MET 1 -6.558 -5.966 -3.720
3 HB2 MET 1 2HB MET 1 -7.197 -3.703 -3.456
4 HB3 MET 1 3HB MET 1 -7.683 -4.147 -5.086
5 HG2 MET 1 2HG MET 1 -9.966 -4.687 -3.896
6 HG3 MET 1 3HG MET 1 -9.348 -3.547 -2.703
7 HE1 MET 1 3HE MET 1 -11.723 -3.909 -4.674
8 HE2 MET 1 1HE MET 1 -12.184 -2.208 -4.740
9 HE3 MET 1 2HE MET 1 -11.647 -3.033 -6.203
10 H GLY 2 H GLY 2 -8.523 -8.001 -2.870
11 HA2 GLY 2 2HA GLY 2 -9.752 -6.991 -0.466
12 HA3 GLY 2 3HA GLY 2 -9.707 -8.667 -0.992
13 H SER 3 H SER 3 -6.728 -8.482 -1.295
14 HA SER 3 HA SER 3 -6.117 -9.102 1.484
15 HB2 SER 3 2HB SER 3 -4.008 -9.361 -0.580
16 HB3 SER 3 3HB SER 3 -4.482 -10.482 0.696
17 HG SER 3 HG SER 3 -5.060 -10.687 -1.824
18 H LEU 4 H LEU 4 -6.537 -6.428 1.196
19 HA LEU 4 HA LEU 4 -4.162 -4.957 0.649
20 HB2 LEU 4 2HB LEU 4 -6.773 -4.307 0.937
21 HB3 LEU 4 3HB LEU 4 -6.134 -3.781 2.493
22 HG LEU 4 HG LEU 4 -6.144 -1.896 1.045
23 HD11 LEU 4 1HD1 LEU 4 -3.994 -1.169 1.347
24 HD12 LEU 4 2HD1 LEU 4 -3.284 -2.700 0.836
25 HD13 LEU 4 3HD1 LEU 4 -4.018 -2.558 2.433
26 HD21 LEU 4 3HD2 LEU 4 -4.314 -3.044 -0.968
27 HD22 LEU 4 1HD2 LEU 4 -5.635 -1.890 -1.156
28 HD23 LEU 4 2HD2 LEU 4 -5.984 -3.613 -1.014
29 H PHE 5 H PHE 5 -2.548 -4.302 1.967
30 HA PHE 5 HA PHE 5 -2.691 -5.141 4.789
31 HB2 PHE 5 2HB PHE 5 -0.219 -5.462 4.669
32 HB3 PHE 5 3HB PHE 5 -1.120 -6.564 3.633
33 HD1 PHE 5 HD1 PHE 5 -1.307 -5.996 1.166
34 HD2 PHE 5 HD2 PHE 5 1.449 -4.093 3.793
35 HE1 PHE 5 HE1 PHE 5 0.034 -5.277 -0.767
36 HE2 PHE 5 HE2 PHE 5 2.794 -3.370 1.864
37 HZ PHE 5 HZ PHE 5 2.087 -3.961 -0.420
38 H ARG 6 H ARG 6 -1.679 -2.709 2.489
39 HA ARG 6 HA ARG 6 -0.199 -1.009 4.091
40 HB2 ARG 6 2HB ARG 6 -1.106 -0.916 1.533
41 HB3 ARG 6 3HB ARG 6 -2.112 0.319 2.278
42 HG2 ARG 6 2HG ARG 6 0.897 0.237 2.356
43 HG3 ARG 6 3HG ARG 6 -0.079 1.253 1.294
44 HD2 ARG 6 2HD ARG 6 -1.130 2.201 3.392
45 HD3 ARG 6 3HD ARG 6 0.137 1.369 4.293
46 HE ARG 6 HE ARG 6 1.468 2.825 2.399
47 HH11 ARG 6 1HH1 ARG 6 -0.808 3.545 4.933
48 HH12 ARG 6 2HH1 ARG 6 -0.189 5.138 5.216
49 HH21 ARG 6 1HH2 ARG 6 2.293 4.921 2.762
50 HH22 ARG 6 2HH2 ARG 6 1.575 5.920 3.980
51 H SER 7 H SER 7 -3.724 -1.089 3.642
52 HA SER 7 HA SER 7 -4.250 1.050 5.434
53 HB2 SER 7 2HB SER 7 -6.402 -0.924 5.118
54 HB3 SER 7 3HB SER 7 -6.394 0.804 4.763
55 HG SER 7 HG SER 7 -6.133 -1.266 3.074
56 H GLU 8 H GLU 8 -4.023 -2.437 5.794
57 HA GLU 8 HA GLU 8 -5.176 -2.783 8.286
58 HB2 GLU 8 2HB GLU 8 -2.707 -4.194 7.262
59 HB3 GLU 8 3HB GLU 8 -3.807 -4.780 8.503
60 HG2 GLU 8 2HG GLU 8 -5.616 -4.752 6.757
61 HG3 GLU 8 3HG GLU 8 -4.351 -4.449 5.568
62 H SER 9 H SER 9 -1.800 -1.969 7.523
63 HA SER 9 HA SER 9 -0.816 -1.890 10.126
64 HB2 SER 9 2HB SER 9 0.078 -1.072 7.509
65 HB3 SER 9 3HB SER 9 0.518 0.146 8.705
66 HG SER 9 HG SER 9 0.990 -2.602 9.150
67 H MET 10 H MET 10 -2.543 0.545 8.264
68 HA MET 10 HA MET 10 -2.214 2.573 10.293
69 HB2 MET 10 2HB MET 10 -3.506 2.410 7.616
70 HB3 MET 10 3HB MET 10 -4.093 3.637 8.730
71 HG2 MET 10 2HG MET 10 -1.164 3.422 8.334
72 HG3 MET 10 3HG MET 10 -2.129 4.095 7.022
73 HE1 MET 10 3HE MET 10 -4.108 6.827 8.743
74 HE2 MET 10 1HE MET 10 -3.025 7.065 7.371
75 HE3 MET 10 2HE MET 10 -4.010 5.606 7.473
76 H CYS 11 H CYS 11 -4.224 -0.080 9.869
77 HA CYS 11 HA CYS 11 -6.528 1.089 11.204
78 HB2 CYS 11 2HB CYS 11 -6.389 -0.823 9.321
79 HB3 CYS 11 3HB CYS 11 -6.361 -1.842 10.755
80 HG CYS 11 HG CYS 11 -8.907 -0.287 9.335
81 H LEU 12 H LEU 12 -3.776 -0.920 11.916
82 HA LEU 12 HA LEU 12 -4.805 -1.531 14.585
83 HB2 LEU 12 2HB LEU 12 -2.190 -2.419 13.396
84 HB3 LEU 12 3HB LEU 12 -3.039 -3.104 14.780
85 HG LEU 12 HG LEU 12 -4.671 -3.252 12.406
86 HD11 LEU 12 1HD1 LEU 12 -2.180 -3.317 11.559
87 HD12 LEU 12 2HD1 LEU 12 -3.392 -4.431 10.926
88 HD13 LEU 12 3HD1 LEU 12 -2.258 -4.973 12.163
89 HD21 LEU 12 3HD2 LEU 12 -5.300 -4.717 14.037
90 HD22 LEU 12 1HD2 LEU 12 -3.642 -5.032 14.551
91 HD23 LEU 12 2HD2 LEU 12 -4.265 -5.778 13.079
92 H ALA 13 H ALA 13 -2.076 0.073 12.996
93 HA ALA 13 HA ALA 13 -0.556 0.795 15.173
94 HB1 ALA 13 3HB ALA 13 0.047 1.195 12.805
95 HB2 ALA 13 1HB ALA 13 -1.090 2.544 12.776
96 HB3 ALA 13 2HB ALA 13 0.318 2.598 13.839
97 H GLN 14 H GLN 14 -3.454 2.379 13.909
98 HA GLN 14 HA GLN 14 -3.422 4.673 15.487
99 HB2 GLN 14 2HB GLN 14 -5.440 3.173 13.957
100 HB3 GLN 14 3HB GLN 14 -6.091 4.150 15.267
101 HG2 GLN 14 2HG GLN 14 -5.802 5.132 12.860
102 HG3 GLN 14 3HG GLN 14 -5.494 6.118 14.288
103 HE21 GLN 14 1HE2 GLN 14 -3.665 3.714 12.419
104 HE22 GLN 14 2HE2 GLN 14 -2.249 4.686 12.233
105 H LEU 15 H LEU 15 -5.165 1.623 16.109
106 HA LEU 15 HA LEU 15 -5.804 2.413 18.799
107 HB2 LEU 15 2HB LEU 15 -6.474 0.230 16.983
108 HB3 LEU 15 3HB LEU 15 -6.273 -0.292 18.654
109 HG LEU 15 HG LEU 15 -8.606 0.170 18.167
110 HD11 LEU 15 1HD1 LEU 15 -7.715 0.626 20.420
111 HD12 LEU 15 2HD1 LEU 15 -9.079 1.662 20.003
112 HD13 LEU 15 3HD1 LEU 15 -7.437 2.303 19.948
113 HD21 LEU 15 3HD2 LEU 15 -7.490 2.753 17.183
114 HD22 LEU 15 1HD2 LEU 15 -9.112 2.724 17.875
115 HD23 LEU 15 2HD2 LEU 15 -8.732 1.718 16.477
116 H PHE 16 H PHE 16 -2.977 1.560 17.503
117 HA PHE 16 HA PHE 16 -2.116 -0.283 19.586
118 HB2 PHE 16 2HB PHE 16 -1.058 -0.962 17.676
119 HB3 PHE 16 3HB PHE 16 -1.018 0.660 16.994
120 HD1 PHE 16 HD1 PHE 16 0.788 2.186 17.514
121 HD2 PHE 16 HD2 PHE 16 0.698 -1.751 19.127
122 HE1 PHE 16 HE1 PHE 16 3.156 2.396 18.150
123 HE2 PHE 16 HE2 PHE 16 3.065 -1.548 19.766
124 HZ PHE 16 HZ PHE 16 4.297 0.528 19.278
125 H LEU 17 H LEU 17 -1.941 3.079 18.767
126 HA LEU 17 HA LEU 17 0.197 3.642 20.636
127 HB2 LEU 17 2HB LEU 17 -1.540 5.742 19.416
128 HB3 LEU 17 3HB LEU 17 0.170 5.813 19.837
129 HG LEU 17 HG LEU 17 -0.173 3.862 17.789
130 HD11 LEU 17 1HD1 LEU 17 -2.285 5.259 17.423
131 HD12 LEU 17 2HD1 LEU 17 -1.214 5.012 16.045
132 HD13 LEU 17 3HD1 LEU 17 -1.189 6.545 16.917
133 HD21 LEU 17 3HD2 LEU 17 1.679 5.678 18.530
134 HD22 LEU 17 1HD2 LEU 17 0.974 6.492 17.133
135 HD23 LEU 17 2HD2 LEU 17 1.659 4.876 16.958
Start of MODEL 3
1 H1 MET 1 H MET 1 -8.056 -4.585 -3.556
2 HA MET 1 HA MET 1 -9.819 -6.056 -5.399
3 HB2 MET 1 2HB MET 1 -8.392 -7.990 -5.283
4 HB3 MET 1 3HB MET 1 -7.421 -6.612 -5.783
5 HG2 MET 1 2HG MET 1 -7.008 -6.472 -3.156
6 HG3 MET 1 3HG MET 1 -7.330 -8.199 -3.293
7 HE1 MET 1 3HE MET 1 -4.537 -5.739 -5.684
8 HE2 MET 1 1HE MET 1 -5.548 -5.219 -4.336
9 HE3 MET 1 2HE MET 1 -3.882 -5.720 -4.046
10 H GLY 2 H GLY 2 -8.511 -5.727 -2.146
11 HA2 GLY 2 2HA GLY 2 -10.461 -5.917 -0.489
12 HA3 GLY 2 3HA GLY 2 -10.612 -7.538 -1.151
13 H SER 3 H SER 3 -7.673 -7.800 -1.417
14 HA SER 3 HA SER 3 -7.175 -8.626 1.332
15 HB2 SER 3 2HB SER 3 -5.128 -9.132 -0.749
16 HB3 SER 3 3HB SER 3 -5.784 -10.216 0.478
17 HG SER 3 HG SER 3 -6.651 -9.720 -2.109
18 H LEU 4 H LEU 4 -7.162 -5.909 1.154
19 HA LEU 4 HA LEU 4 -4.556 -4.840 0.680
20 HB2 LEU 4 2HB LEU 4 -7.030 -3.765 0.907
21 HB3 LEU 4 3HB LEU 4 -6.361 -3.379 2.490
22 HG LEU 4 HG LEU 4 -6.026 -1.502 1.051
23 HD11 LEU 4 1HD1 LEU 4 -3.820 -1.112 1.501
24 HD12 LEU 4 2HD1 LEU 4 -3.315 -2.724 0.994
25 HD13 LEU 4 3HD1 LEU 4 -4.110 -2.499 2.551
26 HD21 LEU 4 3HD2 LEU 4 -6.237 -2.519 -1.107
27 HD22 LEU 4 1HD2 LEU 4 -4.776 -3.474 -0.855
28 HD23 LEU 4 2HD2 LEU 4 -4.665 -1.721 -1.025
29 H PHE 5 H PHE 5 -2.912 -4.444 2.074
30 HA PHE 5 HA PHE 5 -3.278 -5.335 4.859
31 HB2 PHE 5 2HB PHE 5 -0.874 -6.008 4.806
32 HB3 PHE 5 3HB PHE 5 -1.890 -6.938 3.709
33 HD1 PHE 5 HD1 PHE 5 -1.902 -6.294 1.257
34 HD2 PHE 5 HD2 PHE 5 0.998 -4.861 4.024
35 HE1 PHE 5 HE1 PHE 5 -0.405 -5.725 -0.611
36 HE2 PHE 5 HE2 PHE 5 2.498 -4.289 2.160
37 HZ PHE 5 HZ PHE 5 1.797 -4.721 -0.161
38 H ARG 6 H ARG 6 -1.889 -2.990 2.681
39 HA ARG 6 HA ARG 6 -0.219 -1.577 4.382
40 HB2 ARG 6 2HB ARG 6 -0.046 -0.790 2.242
41 HB3 ARG 6 3HB ARG 6 -1.774 -0.920 1.940
42 HG2 ARG 6 2HG ARG 6 -2.192 1.100 3.181
43 HG3 ARG 6 3HG ARG 6 -0.494 1.201 3.649
44 HD2 ARG 6 2HD ARG 6 -0.687 2.702 1.869
45 HD3 ARG 6 3HD ARG 6 0.001 1.252 1.139
46 HE ARG 6 HE ARG 6 -2.689 0.959 0.813
47 HH11 ARG 6 1HH1 ARG 6 -0.368 3.417 -0.020
48 HH12 ARG 6 2HH1 ARG 6 -1.232 3.939 -1.429
49 HH21 ARG 6 1HH2 ARG 6 -3.835 1.638 -1.038
50 HH22 ARG 6 2HH2 ARG 6 -3.204 2.927 -2.006
51 H SER 7 H SER 7 -3.693 -1.069 3.793
52 HA SER 7 HA SER 7 -3.968 1.040 5.661
53 HB2 SER 7 2HB SER 7 -6.367 -0.596 5.203
54 HB3 SER 7 3HB SER 7 -6.107 1.127 4.931
55 HG SER 7 HG SER 7 -6.334 0.276 2.933
56 H GLU 8 H GLU 8 -4.264 -2.452 5.903
57 HA GLU 8 HA GLU 8 -5.540 -2.705 8.345
58 HB2 GLU 8 2HB GLU 8 -3.261 -4.423 7.350
59 HB3 GLU 8 3HB GLU 8 -4.477 -4.883 8.534
60 HG2 GLU 8 2HG GLU 8 -6.196 -4.520 6.720
61 HG3 GLU 8 3HG GLU 8 -4.845 -4.409 5.593
62 H SER 9 H SER 9 -2.055 -2.373 7.720
63 HA SER 9 HA SER 9 -1.183 -2.498 10.367
64 HB2 SER 9 2HB SER 9 0.037 -2.190 7.928
65 HB3 SER 9 3HB SER 9 0.319 -0.619 8.678
66 HG SER 9 HG SER 9 1.214 -1.726 10.469
67 H MET 10 H MET 10 -2.370 0.223 8.468
68 HA MET 10 HA MET 10 -1.838 2.134 10.563
69 HB2 MET 10 2HB MET 10 -2.859 2.211 7.794
70 HB3 MET 10 3HB MET 10 -3.508 3.441 8.870
71 HG2 MET 10 2HG MET 10 -0.799 3.493 9.385
72 HG3 MET 10 3HG MET 10 -0.891 3.230 7.645
73 HE1 MET 10 3HE MET 10 -1.461 5.158 5.914
74 HE2 MET 10 1HE MET 10 -0.902 6.716 6.524
75 HE3 MET 10 2HE MET 10 0.076 5.270 6.774
76 H CYS 11 H CYS 11 -4.190 -0.171 10.037
77 HA CYS 11 HA CYS 11 -6.367 1.348 11.231
78 HB2 CYS 11 2HB CYS 11 -6.104 -1.241 9.817
79 HB3 CYS 11 3HB CYS 11 -7.348 -1.162 11.059
80 HG CYS 11 HG CYS 11 -9.021 0.423 9.816
81 H LEU 12 H LEU 12 -4.029 -1.100 12.075
82 HA LEU 12 HA LEU 12 -5.271 -1.478 14.699
83 HB2 LEU 12 2HB LEU 12 -3.548 -3.255 14.970
84 HB3 LEU 12 3HB LEU 12 -4.671 -3.516 13.637
85 HG LEU 12 HG LEU 12 -2.803 -2.494 12.169
86 HD11 LEU 12 1HD1 LEU 12 -1.044 -1.760 13.327
87 HD12 LEU 12 2HD1 LEU 12 -0.609 -3.460 13.504
88 HD13 LEU 12 3HD1 LEU 12 -1.516 -2.645 14.778
89 HD21 LEU 12 3HD2 LEU 12 -1.594 -4.812 12.293
90 HD22 LEU 12 1HD2 LEU 12 -3.261 -4.701 11.727
91 HD23 LEU 12 2HD2 LEU 12 -2.924 -5.217 13.380
92 H ALA 13 H ALA 13 -2.543 -0.001 13.147
93 HA ALA 13 HA ALA 13 -0.848 0.294 15.376
94 HB1 ALA 13 3HB ALA 13 -1.119 1.831 12.809
95 HB2 ALA 13 1HB ALA 13 0.081 2.246 14.034
96 HB3 ALA 13 2HB ALA 13 0.117 0.659 13.265
97 H GLN 14 H GLN 14 -3.486 2.282 14.128
98 HA GLN 14 HA GLN 14 -3.129 4.542 15.719
99 HB2 GLN 14 2HB GLN 14 -5.336 3.351 14.179
100 HB3 GLN 14 3HB GLN 14 -5.846 4.395 15.499
101 HG2 GLN 14 2HG GLN 14 -5.424 5.352 13.102
102 HG3 GLN 14 3HG GLN 14 -4.982 6.272 14.539
103 HE21 GLN 14 1HE2 GLN 14 -3.503 3.655 12.646
104 HE22 GLN 14 2HE2 GLN 14 -1.967 4.424 12.466
105 H LEU 15 H LEU 15 -5.280 1.761 16.323
106 HA LEU 15 HA LEU 15 -5.808 2.614 19.017
107 HB2 LEU 15 2HB LEU 15 -6.750 0.533 17.195
108 HB3 LEU 15 3HB LEU 15 -6.642 0.006 18.873
109 HG LEU 15 HG LEU 15 -8.884 0.773 18.357
110 HD11 LEU 15 1HD1 LEU 15 -7.471 2.774 20.112
111 HD12 LEU 15 2HD1 LEU 15 -7.940 1.149 20.612
112 HD13 LEU 15 3HD1 LEU 15 -9.176 2.327 20.169
113 HD21 LEU 15 3HD2 LEU 15 -8.188 3.600 18.077
114 HD22 LEU 15 1HD2 LEU 15 -9.376 2.630 17.207
115 HD23 LEU 15 2HD2 LEU 15 -7.682 2.596 16.718
116 H PHE 16 H PHE 16 -3.122 1.385 17.713
117 HA PHE 16 HA PHE 16 -2.517 -0.559 19.794
118 HB2 PHE 16 2HB PHE 16 -1.558 -1.375 17.888
119 HB3 PHE 16 3HB PHE 16 -1.308 0.226 17.200
120 HD1 PHE 16 HD1 PHE 16 0.684 1.505 17.714
121 HD2 PHE 16 HD2 PHE 16 0.085 -2.385 19.334
122 HE1 PHE 16 HE1 PHE 16 3.061 1.405 18.342
123 HE2 PHE 16 HE2 PHE 16 2.460 -2.491 19.965
124 HZ PHE 16 HZ PHE 16 3.952 -0.595 19.470
125 H LEU 17 H LEU 17 -1.903 2.752 18.991
126 HA LEU 17 HA LEU 17 0.298 3.017 20.856
127 HB2 LEU 17 2HB LEU 17 -1.140 5.332 19.635
128 HB3 LEU 17 3HB LEU 17 0.562 5.175 20.063
129 HG LEU 17 HG LEU 17 -0.034 3.288 18.011
130 HD11 LEU 17 1HD1 LEU 17 -0.897 4.575 16.264
131 HD12 LEU 17 2HD1 LEU 17 -0.672 6.087 17.142
132 HD13 LEU 17 3HD1 LEU 17 -1.934 4.960 17.637
133 HD21 LEU 17 3HD2 LEU 17 1.467 5.736 17.360
134 HD22 LEU 17 1HD2 LEU 17 1.925 4.041 17.195
135 HD23 LEU 17 2HD2 LEU 17 2.045 4.838 18.764
Start of MODEL 4
1 H1 MET 1 H MET 1 -3.862 1.901 -1.329
2 HA MET 1 HA MET 1 -5.538 2.601 -3.648
3 HB2 MET 1 2HB MET 1 -4.987 0.493 -4.685
4 HB3 MET 1 3HB MET 1 -3.497 1.347 -4.306
5 HG2 MET 1 2HG MET 1 -3.743 -0.114 -2.079
6 HG3 MET 1 3HG MET 1 -4.575 -1.171 -3.216
7 HE1 MET 1 3HE MET 1 -1.687 0.503 -1.951
8 HE2 MET 1 1HE MET 1 -0.699 -0.959 -1.930
9 HE3 MET 1 2HE MET 1 -0.360 0.317 -3.099
10 H GLY 2 H GLY 2 -5.094 0.564 -0.814
11 HA2 GLY 2 2HA GLY 2 -6.807 -0.138 0.626
12 HA3 GLY 2 3HA GLY 2 -7.985 0.275 -0.610
13 H SER 3 H SER 3 -5.136 -1.786 -0.964
14 HA SER 3 HA SER 3 -6.369 -3.764 -2.441
15 HB2 SER 3 2HB SER 3 -4.156 -4.427 -0.514
16 HB3 SER 3 3HB SER 3 -4.432 -5.056 -2.138
17 HG SER 3 HG SER 3 -2.867 -3.077 -1.466
18 H LEU 4 H LEU 4 -5.399 -4.231 0.957
19 HA LEU 4 HA LEU 4 -7.901 -5.064 1.897
20 HB2 LEU 4 2HB LEU 4 -7.700 -6.945 0.433
21 HB3 LEU 4 3HB LEU 4 -6.062 -7.270 0.994
22 HG LEU 4 HG LEU 4 -8.083 -8.730 1.803
23 HD11 LEU 4 1HD1 LEU 4 -5.516 -8.220 2.722
24 HD12 LEU 4 2HD1 LEU 4 -6.549 -9.577 3.169
25 HD13 LEU 4 3HD1 LEU 4 -6.529 -8.121 4.163
26 HD21 LEU 4 3HD2 LEU 4 -9.100 -6.437 2.667
27 HD22 LEU 4 1HD2 LEU 4 -8.130 -6.834 4.085
28 HD23 LEU 4 2HD2 LEU 4 -9.365 -7.959 3.519
29 H PHE 5 H PHE 5 -4.489 -6.063 2.185
30 HA PHE 5 HA PHE 5 -4.607 -6.231 5.032
31 HB2 PHE 5 2HB PHE 5 -2.329 -6.268 3.056
32 HB3 PHE 5 3HB PHE 5 -2.068 -6.365 4.794
33 HD1 PHE 5 HD1 PHE 5 -4.268 -8.090 5.652
34 HD2 PHE 5 HD2 PHE 5 -1.754 -8.348 2.227
35 HE1 PHE 5 HE1 PHE 5 -4.634 -10.522 5.571
36 HE2 PHE 5 HE2 PHE 5 -2.116 -10.780 2.141
37 HZ PHE 5 HZ PHE 5 -3.558 -11.870 3.813
38 H ARG 6 H ARG 6 -3.709 -3.763 2.726
39 HA ARG 6 HA ARG 6 -2.327 -2.041 4.475
40 HB2 ARG 6 2HB ARG 6 -3.331 -1.965 1.769
41 HB3 ARG 6 3HB ARG 6 -3.639 -0.435 2.579
42 HG2 ARG 6 2HG ARG 6 -1.487 -0.532 1.340
43 HG3 ARG 6 3HG ARG 6 -1.322 -0.133 3.051
44 HD2 ARG 6 2HD ARG 6 0.344 -1.795 2.158
45 HD3 ARG 6 3HD ARG 6 -0.563 -2.315 3.578
46 HE ARG 6 HE ARG 6 -1.894 -3.189 1.264
47 HH11 ARG 6 1HH1 ARG 6 1.015 -3.793 3.078
48 HH12 ARG 6 2HH1 ARG 6 1.133 -5.451 2.587
49 HH21 ARG 6 1HH2 ARG 6 -1.750 -5.369 0.610
50 HH22 ARG 6 2HH2 ARG 6 -0.440 -6.346 1.182
51 H SER 7 H SER 7 -5.737 -2.492 3.799
52 HA SER 7 HA SER 7 -6.601 -0.142 5.183
53 HB2 SER 7 2HB SER 7 -7.903 -2.476 3.888
54 HB3 SER 7 3HB SER 7 -8.829 -1.653 5.143
55 HG SER 7 HG SER 7 -8.769 -0.919 2.726
56 H GLU 8 H GLU 8 -6.128 -3.519 6.027
57 HA GLU 8 HA GLU 8 -7.356 -3.280 8.612
58 HB2 GLU 8 2HB GLU 8 -5.898 -5.404 7.119
59 HB3 GLU 8 3HB GLU 8 -5.965 -5.537 8.870
60 HG2 GLU 8 2HG GLU 8 -8.571 -4.923 7.933
61 HG3 GLU 8 3HG GLU 8 -7.931 -6.250 6.966
62 H SER 9 H SER 9 -4.096 -3.118 7.317
63 HA SER 9 HA SER 9 -2.695 -3.227 9.756
64 HB2 SER 9 2HB SER 9 -1.818 -3.367 7.307
65 HB3 SER 9 3HB SER 9 -1.720 -1.609 7.419
66 HG SER 9 HG SER 9 -0.071 -1.781 8.730
67 H MET 10 H MET 10 -4.037 -0.518 7.920
68 HA MET 10 HA MET 10 -3.034 1.472 9.720
69 HB2 MET 10 2HB MET 10 -4.889 1.460 7.375
70 HB3 MET 10 3HB MET 10 -4.867 2.861 8.438
71 HG2 MET 10 2HG MET 10 -2.184 2.197 7.841
72 HG3 MET 10 3HG MET 10 -3.090 2.191 6.330
73 HE1 MET 10 3HE MET 10 -0.919 3.689 6.420
74 HE2 MET 10 1HE MET 10 -1.459 5.223 5.737
75 HE3 MET 10 2HE MET 10 -0.786 5.173 7.366
76 H CYS 11 H CYS 11 -5.641 -0.688 9.796
77 HA CYS 11 HA CYS 11 -7.410 0.956 11.368
78 HB2 CYS 11 2HB CYS 11 -7.838 -1.206 9.803
79 HB3 CYS 11 3HB CYS 11 -7.760 -1.984 11.379
80 HG CYS 11 HG CYS 11 -10.223 -1.545 11.910
81 H LEU 12 H LEU 12 -4.942 -1.452 11.946
82 HA LEU 12 HA LEU 12 -5.529 -1.448 14.815
83 HB2 LEU 12 2HB LEU 12 -3.440 -3.073 13.387
84 HB3 LEU 12 3HB LEU 12 -4.111 -3.344 14.994
85 HG LEU 12 HG LEU 12 -6.175 -3.438 12.971
86 HD11 LEU 12 1HD1 LEU 12 -3.955 -4.234 11.794
87 HD12 LEU 12 2HD1 LEU 12 -5.477 -5.094 11.564
88 HD13 LEU 12 3HD1 LEU 12 -4.280 -5.712 12.701
89 HD21 LEU 12 3HD2 LEU 12 -6.710 -5.508 14.070
90 HD22 LEU 12 1HD2 LEU 12 -6.294 -4.305 15.292
91 HD23 LEU 12 2HD2 LEU 12 -5.127 -5.552 14.849
92 H ALA 13 H ALA 13 -2.898 -0.770 12.540
93 HA ALA 13 HA ALA 13 -0.861 -0.122 14.267
94 HB1 ALA 13 3HB ALA 13 -0.729 -0.192 11.774
95 HB2 ALA 13 1HB ALA 13 -1.481 1.403 11.744
96 HB3 ALA 13 2HB ALA 13 0.093 1.185 12.509
97 H GLN 14 H GLN 14 -3.568 1.910 13.237
98 HA GLN 14 HA GLN 14 -2.754 4.322 14.366
99 HB2 GLN 14 2HB GLN 14 -5.296 3.148 13.462
100 HB3 GLN 14 3HB GLN 14 -5.466 4.409 14.675
101 HG2 GLN 14 2HG GLN 14 -5.450 4.970 12.115
102 HG3 GLN 14 3HG GLN 14 -4.695 6.043 13.293
103 HE21 GLN 14 1HE2 GLN 14 -3.761 3.071 11.586
104 HE22 GLN 14 2HE2 GLN 14 -2.238 3.667 11.029
105 H LEU 15 H LEU 15 -4.925 1.871 15.782
106 HA LEU 15 HA LEU 15 -4.850 3.142 18.361
107 HB2 LEU 15 2HB LEU 15 -6.294 0.952 17.085
108 HB3 LEU 15 3HB LEU 15 -5.878 0.624 18.766
109 HG LEU 15 HG LEU 15 -8.118 1.545 18.593
110 HD11 LEU 15 1HD1 LEU 15 -7.906 3.337 20.195
111 HD12 LEU 15 2HD1 LEU 15 -6.212 3.567 19.762
112 HD13 LEU 15 3HD1 LEU 15 -6.724 2.078 20.557
113 HD21 LEU 15 3HD2 LEU 15 -8.258 2.841 16.704
114 HD22 LEU 15 1HD2 LEU 15 -6.717 3.644 17.007
115 HD23 LEU 15 2HD2 LEU 15 -8.141 4.086 17.949
116 H PHE 16 H PHE 16 -2.567 1.491 16.793
117 HA PHE 16 HA PHE 16 -1.707 -0.205 18.998
118 HB2 PHE 16 2HB PHE 16 -1.205 -1.363 17.092
119 HB3 PHE 16 3HB PHE 16 -0.973 0.098 16.138
120 HD1 PHE 16 HD1 PHE 16 1.171 1.221 16.081
121 HD2 PHE 16 HD2 PHE 16 0.605 -2.332 18.354
122 HE1 PHE 16 HE1 PHE 16 3.610 0.961 16.276
123 HE2 PHE 16 HE2 PHE 16 3.043 -2.597 18.554
124 HZ PHE 16 HZ PHE 16 4.549 -0.949 17.514
125 H LEU 17 H LEU 17 -1.015 2.883 17.587
126 HA LEU 17 HA LEU 17 1.519 3.180 18.956
127 HB2 LEU 17 2HB LEU 17 0.040 5.443 17.687
128 HB3 LEU 17 3HB LEU 17 1.777 5.170 17.805
129 HG LEU 17 HG LEU 17 0.646 3.095 16.213
130 HD11 LEU 17 1HD1 LEU 17 -1.168 4.884 15.960
131 HD12 LEU 17 2HD1 LEU 17 -0.466 4.209 14.490
132 HD13 LEU 17 3HD1 LEU 17 0.044 5.798 15.061
133 HD21 LEU 17 3HD2 LEU 17 2.797 3.504 15.660
134 HD22 LEU 17 1HD2 LEU 17 2.678 5.226 16.019
135 HD23 LEU 17 2HD2 LEU 17 2.057 4.600 14.492
Start of MODEL 5
1 H1 MET 1 H MET 1 -4.932 -11.322 -3.983
2 HA MET 1 HA MET 1 -7.116 -10.253 -5.641
3 HB2 MET 1 2HB MET 1 -8.326 -9.563 -3.677
4 HB3 MET 1 3HB MET 1 -7.986 -11.283 -3.548
5 HG2 MET 1 2HG MET 1 -5.905 -10.490 -2.202
6 HG3 MET 1 3HG MET 1 -6.836 -9.006 -2.011
7 HE1 MET 1 3HE MET 1 -8.375 -8.724 0.131
8 HE2 MET 1 1HE MET 1 -9.365 -9.065 -1.289
9 HE3 MET 1 2HE MET 1 -9.716 -9.866 0.243
10 H GLY 2 H GLY 2 -4.471 -9.604 -3.408
11 HA2 GLY 2 2HA GLY 2 -3.115 -7.644 -4.411
12 HA3 GLY 2 3HA GLY 2 -4.596 -6.749 -4.106
13 H SER 3 H SER 3 -4.913 -8.575 -1.644
14 HA SER 3 HA SER 3 -4.636 -8.247 0.599
15 HB2 SER 3 2HB SER 3 -2.684 -9.553 0.380
16 HB3 SER 3 3HB SER 3 -1.809 -8.263 -0.446
17 HG SER 3 HG SER 3 -1.618 -8.790 2.041
18 H LEU 4 H LEU 4 -5.756 -6.161 0.364
19 HA LEU 4 HA LEU 4 -4.407 -3.712 0.101
20 HB2 LEU 4 2HB LEU 4 -6.970 -4.373 0.124
21 HB3 LEU 4 3HB LEU 4 -6.830 -3.894 1.815
22 HG LEU 4 HG LEU 4 -7.684 -2.111 0.298
23 HD11 LEU 4 1HD1 LEU 4 -5.285 -0.793 1.138
24 HD12 LEU 4 2HD1 LEU 4 -5.788 -1.957 2.363
25 HD13 LEU 4 3HD1 LEU 4 -6.907 -0.705 1.824
26 HD21 LEU 4 3HD2 LEU 4 -4.923 -1.670 -0.707
27 HD22 LEU 4 1HD2 LEU 4 -6.474 -1.230 -1.423
28 HD23 LEU 4 2HD2 LEU 4 -5.910 -2.899 -1.500
29 H PHE 5 H PHE 5 -3.018 -2.750 1.414
30 HA PHE 5 HA PHE 5 -3.127 -3.389 4.289
31 HB2 PHE 5 2HB PHE 5 -0.820 -3.455 4.417
32 HB3 PHE 5 3HB PHE 5 -1.080 -4.109 2.803
33 HD1 PHE 5 HD1 PHE 5 -1.527 -1.826 1.140
34 HD2 PHE 5 HD2 PHE 5 1.137 -2.257 4.431
35 HE1 PHE 5 HE1 PHE 5 -0.083 -0.071 0.196
36 HE2 PHE 5 HE2 PHE 5 2.585 -0.503 3.493
37 HZ PHE 5 HZ PHE 5 1.976 0.593 1.374
38 H ARG 6 H ARG 6 -3.552 -1.000 1.997
39 HA ARG 6 HA ARG 6 -2.466 1.292 3.125
40 HB2 ARG 6 2HB ARG 6 -3.936 0.813 0.927
41 HB3 ARG 6 3HB ARG 6 -5.179 1.523 1.947
42 HG2 ARG 6 2HG ARG 6 -2.561 2.787 1.166
43 HG3 ARG 6 3HG ARG 6 -4.166 3.225 0.578
44 HD2 ARG 6 2HD ARG 6 -3.910 4.809 2.200
45 HD3 ARG 6 3HD ARG 6 -4.641 3.523 3.158
46 HE ARG 6 HE ARG 6 -2.686 3.340 4.327
47 HH11 ARG 6 1HH1 ARG 6 -2.077 5.074 1.370
48 HH12 ARG 6 2HH1 ARG 6 -0.446 5.478 1.790
49 HH21 ARG 6 1HH2 ARG 6 -0.539 3.866 4.892
50 HH22 ARG 6 2HH2 ARG 6 0.428 4.790 3.793
51 H SER 7 H SER 7 -5.762 0.007 3.587
52 HA SER 7 HA SER 7 -6.410 1.874 5.636
53 HB2 SER 7 2HB SER 7 -7.945 -0.621 5.663
54 HB3 SER 7 3HB SER 7 -8.496 1.038 5.432
55 HG SER 7 HG SER 7 -8.746 0.430 3.436
56 H GLU 8 H GLU 8 -5.033 -1.340 5.590
57 HA GLU 8 HA GLU 8 -5.420 -2.144 8.210
58 HB2 GLU 8 2HB GLU 8 -3.001 -2.584 6.451
59 HB3 GLU 8 3HB GLU 8 -3.335 -3.465 7.935
60 HG2 GLU 8 2HG GLU 8 -5.567 -4.080 6.797
61 HG3 GLU 8 3HG GLU 8 -4.756 -3.589 5.311
62 H SER 9 H SER 9 -2.880 -0.064 6.878
63 HA SER 9 HA SER 9 -1.302 0.225 9.141
64 HB2 SER 9 2HB SER 9 -1.614 1.572 6.604
65 HB3 SER 9 3HB SER 9 -1.313 2.744 7.888
66 HG SER 9 HG SER 9 0.604 1.804 8.317
67 H MET 10 H MET 10 -4.300 1.839 8.261
68 HA MET 10 HA MET 10 -4.183 3.637 10.522
69 HB2 MET 10 2HB MET 10 -6.249 3.109 8.392
70 HB3 MET 10 3HB MET 10 -6.552 4.195 9.742
71 HG2 MET 10 2HG MET 10 -4.118 4.589 8.073
72 HG3 MET 10 3HG MET 10 -5.686 5.110 7.460
73 HE1 MET 10 3HE MET 10 -4.387 8.557 8.484
74 HE2 MET 10 1HE MET 10 -3.929 7.266 7.373
75 HE3 MET 10 2HE MET 10 -5.612 7.781 7.480
76 H CYS 11 H CYS 11 -5.182 0.450 9.964
77 HA CYS 11 HA CYS 11 -7.207 0.432 12.044
78 HB2 CYS 11 2HB CYS 11 -6.574 -1.210 9.808
79 HB3 CYS 11 3HB CYS 11 -6.457 -2.208 11.252
80 HG CYS 11 HG CYS 11 -9.029 -1.995 12.030
81 H LEU 12 H LEU 12 -3.845 -0.344 11.630
82 HA LEU 12 HA LEU 12 -3.725 -1.673 14.230
83 HB2 LEU 12 2HB LEU 12 -1.455 -1.177 12.321
84 HB3 LEU 12 3HB LEU 12 -1.513 -2.328 13.654
85 HG LEU 12 HG LEU 12 -3.589 -2.843 11.695
86 HD11 LEU 12 1HD1 LEU 12 -1.546 -1.807 10.391
87 HD12 LEU 12 2HD1 LEU 12 -2.407 -3.218 9.779
88 HD13 LEU 12 3HD1 LEU 12 -0.875 -3.420 10.628
89 HD21 LEU 12 3HD2 LEU 12 -2.478 -4.278 13.582
90 HD22 LEU 12 1HD2 LEU 12 -1.309 -4.662 12.318
91 HD23 LEU 12 2HD2 LEU 12 -3.017 -5.035 12.082
92 H ALA 13 H ALA 13 -2.313 1.106 12.531
93 HA ALA 13 HA ALA 13 -0.664 2.114 14.486
94 HB1 ALA 13 3HB ALA 13 -1.262 4.389 13.489
95 HB2 ALA 13 1HB ALA 13 -0.596 3.172 12.399
96 HB3 ALA 13 2HB ALA 13 -2.330 3.496 12.407
97 H GLN 14 H GLN 14 -4.164 2.505 14.173
98 HA GLN 14 HA GLN 14 -4.571 4.401 16.173
99 HB2 GLN 14 2HB GLN 14 -6.215 2.405 14.768
100 HB3 GLN 14 3HB GLN 14 -6.815 2.859 16.358
101 HG2 GLN 14 2HG GLN 14 -7.547 4.162 14.208
102 HG3 GLN 14 3HG GLN 14 -7.270 5.001 15.734
103 HE21 GLN 14 1HE2 GLN 14 -5.232 3.820 13.075
104 HE22 GLN 14 2HE2 GLN 14 -4.378 5.304 12.845
105 H LEU 15 H LEU 15 -4.835 0.853 16.440
106 HA LEU 15 HA LEU 15 -4.994 0.975 19.309
107 HB2 LEU 15 2HB LEU 15 -5.258 -1.050 17.225
108 HB3 LEU 15 3HB LEU 15 -4.452 -1.644 18.676
109 HG LEU 15 HG LEU 15 -6.831 -2.123 18.749
110 HD11 LEU 15 1HD1 LEU 15 -5.622 -1.624 20.838
111 HD12 LEU 15 2HD1 LEU 15 -7.329 -1.190 20.920
112 HD13 LEU 15 3HD1 LEU 15 -6.111 0.065 20.695
113 HD21 LEU 15 3HD2 LEU 15 -7.045 0.791 18.153
114 HD22 LEU 15 1HD2 LEU 15 -8.301 0.015 19.118
115 HD23 LEU 15 2HD2 LEU 15 -7.955 -0.567 17.489
116 H PHE 16 H PHE 16 -2.497 1.525 17.345
117 HA PHE 16 HA PHE 16 -0.504 -0.045 18.773
118 HB2 PHE 16 2HB PHE 16 0.192 0.013 16.596
119 HB3 PHE 16 3HB PHE 16 -0.550 1.580 16.289
120 HD1 PHE 16 HD1 PHE 16 0.633 3.636 16.775
121 HD2 PHE 16 HD2 PHE 16 2.428 -0.158 17.481
122 HE1 PHE 16 HE1 PHE 16 2.832 4.719 16.979
123 HE2 PHE 16 HE2 PHE 16 4.631 0.919 17.687
124 HZ PHE 16 HZ PHE 16 4.835 3.360 17.437
125 H LEU 17 H LEU 17 -1.804 3.166 18.688
126 HA LEU 17 HA LEU 17 0.383 4.320 20.195
127 HB2 LEU 17 2HB LEU 17 -2.259 5.657 19.813
128 HB3 LEU 17 3HB LEU 17 -0.650 6.369 19.907
129 HG LEU 17 HG LEU 17 -0.772 4.719 17.587
130 HD11 LEU 17 1HD1 LEU 17 -2.897 6.835 17.535
131 HD12 LEU 17 2HD1 LEU 17 -3.266 5.158 17.938
132 HD13 LEU 17 3HD1 LEU 17 -2.577 5.555 16.363
133 HD21 LEU 17 3HD2 LEU 17 0.404 7.029 18.340
134 HD22 LEU 17 1HD2 LEU 17 -0.887 7.647 17.309
135 HD23 LEU 17 2HD2 LEU 17 0.276 6.487 16.666
Start of MODEL 6
1 H1 MET 1 H MET 1 -3.536 0.744 -2.029
2 HA MET 1 HA MET 1 -5.405 1.429 -4.200
3 HB2 MET 1 2HB MET 1 -5.199 -0.806 -5.086
4 HB3 MET 1 3HB MET 1 -3.596 -0.093 -4.962
5 HG2 MET 1 2HG MET 1 -3.602 -1.312 -2.632
6 HG3 MET 1 3HG MET 1 -4.808 -2.323 -3.423
7 HE1 MET 1 3HE MET 1 -1.569 -1.489 -2.591
8 HE2 MET 1 1HE MET 1 -0.818 -3.042 -2.957
9 HE3 MET 1 2HE MET 1 -0.507 -1.648 -3.991
10 H GLY 2 H GLY 2 -4.822 -0.401 -1.252
11 HA2 GLY 2 2HA GLY 2 -6.411 -0.780 0.433
12 HA3 GLY 2 3HA GLY 2 -7.684 -0.359 -0.703
13 H SER 3 H SER 3 -5.098 -2.738 -1.118
14 HA SER 3 HA SER 3 -6.663 -4.700 -2.264
15 HB2 SER 3 2HB SER 3 -4.344 -5.419 -0.489
16 HB3 SER 3 3HB SER 3 -4.841 -6.157 -2.012
17 HG SER 3 HG SER 3 -3.041 -4.860 -2.364
18 H LEU 4 H LEU 4 -5.403 -4.950 1.062
19 HA LEU 4 HA LEU 4 -7.865 -5.414 2.310
20 HB2 LEU 4 2HB LEU 4 -8.010 -7.432 1.035
21 HB3 LEU 4 3HB LEU 4 -6.362 -7.882 1.465
22 HG LEU 4 HG LEU 4 -8.420 -9.033 2.610
23 HD11 LEU 4 1HD1 LEU 4 -6.455 -8.275 4.653
24 HD12 LEU 4 2HD1 LEU 4 -5.769 -8.883 3.148
25 HD13 LEU 4 3HD1 LEU 4 -6.918 -9.867 4.053
26 HD21 LEU 4 3HD2 LEU 4 -8.035 -6.942 4.681
27 HD22 LEU 4 1HD2 LEU 4 -9.428 -7.973 4.354
28 HD23 LEU 4 2HD2 LEU 4 -9.108 -6.574 3.329
29 H PHE 5 H PHE 5 -4.565 -6.769 2.384
30 HA PHE 5 HA PHE 5 -4.411 -6.625 5.237
31 HB2 PHE 5 2HB PHE 5 -2.391 -7.206 3.077
32 HB3 PHE 5 3HB PHE 5 -1.939 -7.118 4.776
33 HD1 PHE 5 HD1 PHE 5 -4.194 -8.411 6.098
34 HD2 PHE 5 HD2 PHE 5 -2.195 -9.428 2.481
35 HE1 PHE 5 HE1 PHE 5 -4.857 -10.761 6.397
36 HE2 PHE 5 HE2 PHE 5 -2.856 -11.780 2.773
37 HZ PHE 5 HZ PHE 5 -4.190 -12.449 4.732
38 H ARG 6 H ARG 6 -3.992 -4.377 2.737
39 HA ARG 6 HA ARG 6 -1.997 -2.736 3.952
40 HB2 ARG 6 2HB ARG 6 -2.131 -2.347 1.682
41 HB3 ARG 6 3HB ARG 6 -3.886 -2.458 1.659
42 HG2 ARG 6 2HG ARG 6 -4.084 -0.272 2.653
43 HG3 ARG 6 3HG ARG 6 -2.331 -0.163 2.832
44 HD2 ARG 6 2HD ARG 6 -3.411 -0.693 0.119
45 HD3 ARG 6 3HD ARG 6 -3.627 0.927 0.781
46 HE ARG 6 HE ARG 6 -1.215 -0.192 -0.212
47 HH11 ARG 6 1HH1 ARG 6 -2.474 1.938 2.238
48 HH12 ARG 6 2HH1 ARG 6 -1.015 2.863 2.367
49 HH21 ARG 6 1HH2 ARG 6 0.711 1.019 -0.051
50 HH22 ARG 6 2HH2 ARG 6 0.796 2.340 1.064
51 H SER 7 H SER 7 -5.530 -2.398 3.609
52 HA SER 7 HA SER 7 -5.715 -0.093 5.240
53 HB2 SER 7 2HB SER 7 -8.128 -1.727 5.224
54 HB3 SER 7 3HB SER 7 -7.864 -0.107 4.577
55 HG SER 7 HG SER 7 -7.670 -0.943 2.665
56 H GLU 8 H GLU 8 -5.809 -3.527 5.910
57 HA GLU 8 HA GLU 8 -6.870 -3.412 8.515
58 HB2 GLU 8 2HB GLU 8 -5.446 -5.393 6.866
59 HB3 GLU 8 3HB GLU 8 -5.229 -5.591 8.599
60 HG2 GLU 8 2HG GLU 8 -7.810 -5.382 8.691
61 HG3 GLU 8 3HG GLU 8 -7.725 -5.777 6.975
62 H SER 9 H SER 9 -3.618 -3.004 7.264
63 HA SER 9 HA SER 9 -2.267 -3.134 9.750
64 HB2 SER 9 2HB SER 9 -1.253 -3.317 7.408
65 HB3 SER 9 3HB SER 9 -1.330 -1.556 7.354
66 HG SER 9 HG SER 9 0.662 -2.058 8.144
67 H MET 10 H MET 10 -3.699 -0.488 7.908
68 HA MET 10 HA MET 10 -2.782 1.529 9.747
69 HB2 MET 10 2HB MET 10 -4.837 1.699 7.536
70 HB3 MET 10 3HB MET 10 -4.142 3.066 8.397
71 HG2 MET 10 2HG MET 10 -2.151 1.298 7.207
72 HG3 MET 10 3HG MET 10 -3.238 2.040 6.035
73 HE1 MET 10 3HE MET 10 0.126 3.437 8.391
74 HE2 MET 10 1HE MET 10 -0.271 1.953 7.526
75 HE3 MET 10 2HE MET 10 0.426 3.319 6.657
76 H CYS 11 H CYS 11 -5.289 -0.714 9.736
77 HA CYS 11 HA CYS 11 -7.184 0.905 11.208
78 HB2 CYS 11 2HB CYS 11 -7.541 -1.197 9.570
79 HB3 CYS 11 3HB CYS 11 -7.485 -2.047 11.109
80 HG CYS 11 HG CYS 11 -9.943 -0.298 9.770
81 H LEU 12 H LEU 12 -4.721 -1.485 11.860
82 HA LEU 12 HA LEU 12 -5.457 -1.559 14.693
83 HB2 LEU 12 2HB LEU 12 -3.731 -3.344 14.833
84 HB3 LEU 12 3HB LEU 12 -5.075 -3.711 13.754
85 HG LEU 12 HG LEU 12 -3.483 -2.879 11.885
86 HD11 LEU 12 1HD1 LEU 12 -1.107 -3.796 12.917
87 HD12 LEU 12 2HD1 LEU 12 -1.763 -2.820 14.231
88 HD13 LEU 12 3HD1 LEU 12 -1.531 -2.107 12.634
89 HD21 LEU 12 3HD2 LEU 12 -4.271 -5.206 12.245
90 HD22 LEU 12 1HD2 LEU 12 -2.876 -5.477 13.289
91 HD23 LEU 12 2HD2 LEU 12 -2.640 -5.108 11.580
92 H ALA 13 H ALA 13 -3.035 -0.349 12.515
93 HA ALA 13 HA ALA 13 -0.962 0.142 14.348
94 HB1 ALA 13 3HB ALA 13 -1.699 1.333 11.701
95 HB2 ALA 13 1HB ALA 13 -0.350 1.973 12.640
96 HB3 ALA 13 2HB ALA 13 -0.339 0.289 12.114
97 H GLN 14 H GLN 14 -3.762 2.072 13.391
98 HA GLN 14 HA GLN 14 -3.096 4.465 14.654
99 HB2 GLN 14 2HB GLN 14 -5.553 3.203 13.647
100 HB3 GLN 14 3HB GLN 14 -5.814 4.376 14.930
101 HG2 GLN 14 2HG GLN 14 -5.796 5.089 12.406
102 HG3 GLN 14 3HG GLN 14 -5.129 6.134 13.660
103 HE21 GLN 14 1HE2 GLN 14 -3.982 3.334 11.798
104 HE22 GLN 14 2HE2 GLN 14 -2.491 4.056 11.309
105 H LEU 15 H LEU 15 -5.134 1.819 15.907
106 HA LEU 15 HA LEU 15 -5.172 2.952 18.550
107 HB2 LEU 15 2HB LEU 15 -6.445 0.731 17.142
108 HB3 LEU 15 3HB LEU 15 -6.045 0.365 18.819
109 HG LEU 15 HG LEU 15 -8.334 1.142 18.634
110 HD11 LEU 15 1HD1 LEU 15 -6.612 3.266 19.899
111 HD12 LEU 15 2HD1 LEU 15 -6.995 1.711 20.636
112 HD13 LEU 15 3HD1 LEU 15 -8.282 2.870 20.304
113 HD21 LEU 15 3HD2 LEU 15 -7.670 3.908 17.951
114 HD22 LEU 15 1HD2 LEU 15 -9.005 2.891 17.408
115 HD23 LEU 15 2HD2 LEU 15 -7.427 2.762 16.632
116 H PHE 16 H PHE 16 -2.770 1.526 16.930
117 HA PHE 16 HA PHE 16 -1.829 -0.219 19.063
118 HB2 PHE 16 2HB PHE 16 -1.230 -1.251 17.115
119 HB3 PHE 16 3HB PHE 16 -1.092 0.265 16.230
120 HD1 PHE 16 HD1 PHE 16 0.971 1.534 16.247
121 HD2 PHE 16 HD2 PHE 16 0.635 -2.153 18.347
122 HE1 PHE 16 HE1 PHE 16 3.421 1.432 16.453
123 HE2 PHE 16 HE2 PHE 16 3.084 -2.260 18.558
124 HZ PHE 16 HZ PHE 16 4.480 -0.466 17.611
125 H LEU 17 H LEU 17 -1.329 2.975 17.825
126 HA LEU 17 HA LEU 17 1.170 3.361 19.237
127 HB2 LEU 17 2HB LEU 17 -0.437 5.585 18.058
128 HB3 LEU 17 3HB LEU 17 1.313 5.420 18.191
129 HG LEU 17 HG LEU 17 0.338 3.358 16.482
130 HD11 LEU 17 1HD1 LEU 17 -1.581 5.038 16.282
131 HD12 LEU 17 2HD1 LEU 17 -0.813 4.487 14.793
132 HD13 LEU 17 3HD1 LEU 17 -0.416 6.073 15.455
133 HD21 LEU 17 3HD2 LEU 17 2.534 4.911 16.689
134 HD22 LEU 17 1HD2 LEU 17 1.722 5.687 15.330
135 HD23 LEU 17 2HD2 LEU 17 2.124 3.972 15.254
Start of MODEL 7
1 H1 MET 1 H MET 1 -6.295 -6.746 -5.481
2 HA MET 1 HA MET 1 -5.972 -9.658 -5.794
3 HB2 MET 1 2HB MET 1 -4.352 -9.671 -4.006
4 HB3 MET 1 3HB MET 1 -3.832 -8.526 -5.235
5 HG2 MET 1 2HG MET 1 -5.152 -6.839 -3.669
6 HG3 MET 1 3HG MET 1 -4.744 -8.054 -2.460
7 HE1 MET 1 3HE MET 1 -0.995 -7.966 -2.128
8 HE2 MET 1 1HE MET 1 -2.421 -7.806 -1.103
9 HE3 MET 1 2HE MET 1 -2.352 -9.076 -2.325
10 H GLY 2 H GLY 2 -7.153 -7.000 -3.816
11 HA2 GLY 2 2HA GLY 2 -9.096 -7.003 -2.521
12 HA3 GLY 2 3HA GLY 2 -9.191 -8.748 -2.710
13 H SER 3 H SER 3 -6.270 -7.164 -1.642
14 HA SER 3 HA SER 3 -6.814 -7.987 1.124
15 HB2 SER 3 2HB SER 3 -4.624 -8.920 -0.662
16 HB3 SER 3 3HB SER 3 -4.205 -8.587 1.018
17 HG SER 3 HG SER 3 -5.715 -10.088 1.674
18 H LEU 4 H LEU 4 -7.216 -5.567 1.029
19 HA LEU 4 HA LEU 4 -5.169 -3.705 0.661
20 HB2 LEU 4 2HB LEU 4 -7.804 -3.562 1.252
21 HB3 LEU 4 3HB LEU 4 -7.100 -3.128 2.809
22 HG LEU 4 HG LEU 4 -7.570 -1.110 1.643
23 HD11 LEU 4 1HD1 LEU 4 -5.563 -0.063 1.911
24 HD12 LEU 4 2HD1 LEU 4 -4.662 -1.328 1.076
25 HD13 LEU 4 3HD1 LEU 4 -5.212 -1.584 2.732
26 HD21 LEU 4 3HD2 LEU 4 -7.217 -0.704 -0.570
27 HD22 LEU 4 1HD2 LEU 4 -7.414 -2.455 -0.636
28 HD23 LEU 4 2HD2 LEU 4 -5.798 -1.748 -0.653
29 H PHE 5 H PHE 5 -3.502 -3.020 1.869
30 HA PHE 5 HA PHE 5 -3.239 -4.129 4.587
31 HB2 PHE 5 2HB PHE 5 -0.844 -4.292 4.252
32 HB3 PHE 5 3HB PHE 5 -1.668 -5.154 2.957
33 HD1 PHE 5 HD1 PHE 5 -2.088 -3.770 0.780
34 HD2 PHE 5 HD2 PHE 5 0.833 -2.809 3.723
35 HE1 PHE 5 HE1 PHE 5 -0.845 -2.456 -0.888
36 HE2 PHE 5 HE2 PHE 5 2.080 -1.493 2.060
37 HZ PHE 5 HZ PHE 5 1.241 -1.314 -0.248
38 H ARG 6 H ARG 6 -2.796 -1.381 2.474
39 HA ARG 6 HA ARG 6 -1.356 0.349 4.067
40 HB2 ARG 6 2HB ARG 6 -3.727 1.199 2.408
41 HB3 ARG 6 3HB ARG 6 -2.294 2.140 2.797
42 HG2 ARG 6 2HG ARG 6 -1.073 0.184 1.530
43 HG3 ARG 6 3HG ARG 6 -2.662 -0.018 0.791
44 HD2 ARG 6 2HD ARG 6 -2.313 2.685 0.649
45 HD3 ARG 6 3HD ARG 6 -0.666 2.095 0.429
46 HE ARG 6 HE ARG 6 -1.263 1.314 -1.635
47 HH11 ARG 6 1HH1 ARG 6 -4.143 1.958 0.212
48 HH12 ARG 6 2HH1 ARG 6 -5.216 1.691 -1.122
49 HH21 ARG 6 1HH2 ARG 6 -2.665 0.961 -3.400
50 HH22 ARG 6 2HH2 ARG 6 -4.374 1.123 -3.176
51 H SER 7 H SER 7 -4.862 -0.216 4.072
52 HA SER 7 HA SER 7 -5.388 1.652 6.159
53 HB2 SER 7 2HB SER 7 -7.335 -0.522 5.853
54 HB3 SER 7 3HB SER 7 -7.559 1.222 5.708
55 HG SER 7 HG SER 7 -7.253 1.096 3.616
56 H GLU 8 H GLU 8 -4.692 -1.784 6.034
57 HA GLU 8 HA GLU 8 -5.475 -2.574 8.570
58 HB2 GLU 8 2HB GLU 8 -3.016 -3.498 7.073
59 HB3 GLU 8 3HB GLU 8 -3.822 -4.362 8.375
60 HG2 GLU 8 2HG GLU 8 -5.865 -4.448 6.929
61 HG3 GLU 8 3HG GLU 8 -4.879 -3.804 5.618
62 H SER 9 H SER 9 -2.369 -1.184 7.550
63 HA SER 9 HA SER 9 -1.095 -1.275 10.040
64 HB2 SER 9 2HB SER 9 -0.592 -0.109 7.450
65 HB3 SER 9 3HB SER 9 -0.154 1.031 8.722
66 HG SER 9 HG SER 9 0.927 -1.463 8.109
67 H MET 10 H MET 10 -3.276 1.099 8.633
68 HA MET 10 HA MET 10 -2.939 2.966 10.805
69 HB2 MET 10 2HB MET 10 -4.952 2.888 8.550
70 HB3 MET 10 3HB MET 10 -4.764 4.217 9.687
71 HG2 MET 10 2HG MET 10 -2.225 3.929 8.749
72 HG3 MET 10 3HG MET 10 -3.186 3.513 7.332
73 HE1 MET 10 3HE MET 10 -1.144 6.062 7.610
74 HE2 MET 10 1HE MET 10 -1.975 5.578 6.131
75 HE3 MET 10 2HE MET 10 -2.085 7.244 6.699
76 H CYS 11 H CYS 11 -4.686 0.129 10.338
77 HA CYS 11 HA CYS 11 -6.921 0.867 12.034
78 HB2 CYS 11 2HB CYS 11 -6.503 -1.072 10.052
79 HB3 CYS 11 3HB CYS 11 -6.668 -1.976 11.553
80 HG CYS 11 HG CYS 11 -8.957 0.324 10.468
81 H LEU 12 H LEU 12 -3.871 -0.800 12.270
82 HA LEU 12 HA LEU 12 -4.480 -1.698 14.986
83 HB2 LEU 12 2HB LEU 12 -1.949 -2.176 13.435
84 HB3 LEU 12 3HB LEU 12 -2.528 -3.043 14.856
85 HG LEU 12 HG LEU 12 -4.413 -3.252 12.677
86 HD11 LEU 12 1HD1 LEU 12 -2.039 -2.980 11.565
87 HD12 LEU 12 2HD1 LEU 12 -3.194 -4.180 10.986
88 HD13 LEU 12 3HD1 LEU 12 -1.875 -4.667 12.051
89 HD21 LEU 12 3HD2 LEU 12 -4.438 -5.500 13.288
90 HD22 LEU 12 1HD2 LEU 12 -4.064 -4.664 14.795
91 HD23 LEU 12 2HD2 LEU 12 -2.779 -5.457 13.885
92 H ALA 13 H ALA 13 -2.161 0.314 13.217
93 HA ALA 13 HA ALA 13 -0.487 1.094 15.255
94 HB1 ALA 13 3HB ALA 13 0.019 3.052 13.960
95 HB2 ALA 13 1HB ALA 13 -0.239 1.698 12.859
96 HB3 ALA 13 2HB ALA 13 -1.500 2.913 13.075
97 H GLN 14 H GLN 14 -3.681 2.378 14.443
98 HA GLN 14 HA GLN 14 -3.723 4.565 16.166
99 HB2 GLN 14 2HB GLN 14 -5.724 2.919 14.771
100 HB3 GLN 14 3HB GLN 14 -6.321 3.730 16.212
101 HG2 GLN 14 2HG GLN 14 -6.441 4.879 13.865
102 HG3 GLN 14 3HG GLN 14 -6.079 5.811 15.317
103 HE21 GLN 14 1HE2 GLN 14 -4.222 3.764 13.085
104 HE22 GLN 14 2HE2 GLN 14 -2.962 4.913 12.811
105 H LEU 15 H LEU 15 -5.013 1.293 16.762
106 HA LEU 15 HA LEU 15 -5.410 1.843 19.557
107 HB2 LEU 15 2HB LEU 15 -6.037 -0.298 17.678
108 HB3 LEU 15 3HB LEU 15 -5.578 -0.886 19.274
109 HG LEU 15 HG LEU 15 -7.990 -0.687 19.086
110 HD11 LEU 15 1HD1 LEU 15 -6.898 -0.256 21.252
111 HD12 LEU 15 2HD1 LEU 15 -8.409 0.634 21.064
112 HD13 LEU 15 3HD1 LEU 15 -6.866 1.466 20.872
113 HD21 LEU 15 3HD2 LEU 15 -8.818 1.800 19.035
114 HD22 LEU 15 1HD2 LEU 15 -8.496 0.928 17.536
115 HD23 LEU 15 2HD2 LEU 15 -7.305 2.065 18.167
116 H PHE 16 H PHE 16 -2.681 1.421 17.891
117 HA PHE 16 HA PHE 16 -1.367 -0.419 19.726
118 HB2 PHE 16 2HB PHE 16 -0.477 -0.852 17.665
119 HB3 PHE 16 3HB PHE 16 -0.706 0.800 17.101
120 HD1 PHE 16 HD1 PHE 16 0.961 2.504 17.522
121 HD2 PHE 16 HD2 PHE 16 1.521 -1.502 18.849
122 HE1 PHE 16 HE1 PHE 16 3.349 2.966 17.900
123 HE2 PHE 16 HE2 PHE 16 3.908 -1.046 19.230
124 HZ PHE 16 HZ PHE 16 4.825 1.190 18.756
125 H LEU 17 H LEU 17 -1.682 2.980 19.136
126 HA LEU 17 HA LEU 17 0.587 3.694 20.787
127 HB2 LEU 17 2HB LEU 17 -1.514 5.631 19.924
128 HB3 LEU 17 3HB LEU 17 0.214 5.887 20.153
129 HG LEU 17 HG LEU 17 -0.148 4.029 18.023
130 HD11 LEU 17 1HD1 LEU 17 -1.517 5.142 16.495
131 HD12 LEU 17 2HD1 LEU 17 -1.566 6.612 17.467
132 HD13 LEU 17 3HD1 LEU 17 -2.436 5.174 18.000
133 HD21 LEU 17 3HD2 LEU 17 1.557 6.017 18.677
134 HD22 LEU 17 1HD2 LEU 17 0.601 6.813 17.427
135 HD23 LEU 17 2HD2 LEU 17 1.443 5.305 17.067
Start of MODEL 8
1 H1 MET 1 H MET 1 -5.818 -6.694 -6.896
2 HA MET 1 HA MET 1 -3.160 -6.971 -5.712
3 HB2 MET 1 2HB MET 1 -2.048 -5.743 -7.402
4 HB3 MET 1 3HB MET 1 -2.997 -6.960 -8.245
5 HG2 MET 1 2HG MET 1 -4.777 -5.032 -8.343
6 HG3 MET 1 3HG MET 1 -3.355 -4.014 -8.132
7 HE1 MET 1 3HE MET 1 -5.388 -6.326 -10.067
8 HE2 MET 1 1HE MET 1 -5.522 -4.958 -11.173
9 HE3 MET 1 2HE MET 1 -4.700 -6.432 -11.688
10 H GLY 2 H GLY 2 -5.781 -5.932 -4.830
11 HA2 GLY 2 2HA GLY 2 -5.540 -3.060 -4.776
12 HA3 GLY 2 3HA GLY 2 -6.732 -4.025 -3.919
13 H SER 3 H SER 3 -4.533 -5.696 -2.751
14 HA SER 3 HA SER 3 -3.478 -5.793 -0.732
15 HB2 SER 3 2HB SER 3 -1.725 -4.674 -2.024
16 HB3 SER 3 3HB SER 3 -2.441 -3.104 -1.664
17 HG SER 3 HG SER 3 -0.600 -3.998 -0.302
18 H LEU 4 H LEU 4 -5.557 -5.631 0.353
19 HA LEU 4 HA LEU 4 -6.626 -3.188 1.268
20 HB2 LEU 4 2HB LEU 4 -8.090 -4.463 2.569
21 HB3 LEU 4 3HB LEU 4 -7.758 -5.456 1.151
22 HG LEU 4 HG LEU 4 -7.789 -6.895 3.041
23 HD11 LEU 4 1HD1 LEU 4 -5.960 -7.186 1.343
24 HD12 LEU 4 2HD1 LEU 4 -5.647 -7.905 2.922
25 HD13 LEU 4 3HD1 LEU 4 -4.878 -6.381 2.480
26 HD21 LEU 4 3HD2 LEU 4 -5.558 -5.624 4.479
27 HD22 LEU 4 1HD2 LEU 4 -7.009 -6.414 5.097
28 HD23 LEU 4 2HD2 LEU 4 -7.089 -4.748 4.523
29 H PHE 5 H PHE 5 -3.833 -4.836 2.167
30 HA PHE 5 HA PHE 5 -3.672 -4.436 4.917
31 HB2 PHE 5 2HB PHE 5 -1.862 -5.102 2.771
32 HB3 PHE 5 3HB PHE 5 -1.086 -3.996 3.900
33 HD1 PHE 5 HD2 PHE 5 -0.953 -4.616 6.317
34 HD2 PHE 5 HD1 PHE 5 -2.219 -7.360 3.319
35 HE1 PHE 5 HE2 PHE 5 -0.516 -6.489 7.852
36 HE2 PHE 5 HE1 PHE 5 -1.785 -9.237 4.850
37 HZ PHE 5 HZ PHE 5 -0.932 -8.803 7.119
38 H ARG 6 H ARG 6 -3.451 -2.177 2.310
39 HA ARG 6 HA ARG 6 -1.971 -0.115 3.395
40 HB2 ARG 6 2HB ARG 6 -3.326 -0.411 1.103
41 HB3 ARG 6 3HB ARG 6 -4.459 0.631 1.954
42 HG2 ARG 6 2HG ARG 6 -1.566 1.227 1.370
43 HG3 ARG 6 3HG ARG 6 -2.975 1.956 0.595
44 HD2 ARG 6 2HD ARG 6 -2.619 3.574 2.132
45 HD3 ARG 6 3HD ARG 6 -3.550 2.486 3.160
46 HE ARG 6 HE ARG 6 -1.011 1.648 3.534
47 HH11 ARG 6 1HH1 ARG 6 -2.536 4.773 3.702
48 HH12 ARG 6 2HH1 ARG 6 -1.453 5.382 4.909
49 HH21 ARG 6 1HH2 ARG 6 0.422 2.438 5.123
50 HH22 ARG 6 2HH2 ARG 6 0.230 4.054 5.716
51 H SER 7 H SER 7 -5.446 -0.751 3.786
52 HA SER 7 HA SER 7 -5.816 1.456 5.582
53 HB2 SER 7 2HB SER 7 -7.888 -0.568 5.747
54 HB3 SER 7 3HB SER 7 -7.994 1.096 5.173
55 HG SER 7 HG SER 7 -8.270 -0.936 3.690
56 H GLU 8 H GLU 8 -5.137 -1.956 5.881
57 HA GLU 8 HA GLU 8 -5.857 -2.420 8.520
58 HB2 GLU 8 2HB GLU 8 -3.693 -3.554 6.772
59 HB3 GLU 8 3HB GLU 8 -3.852 -4.065 8.447
60 HG2 GLU 8 2HG GLU 8 -6.329 -4.129 6.864
61 HG3 GLU 8 3HG GLU 8 -5.075 -5.266 6.372
62 H SER 9 H SER 9 -2.932 -0.947 7.209
63 HA SER 9 HA SER 9 -1.408 -0.841 9.543
64 HB2 SER 9 2HB SER 9 -1.322 0.340 6.908
65 HB3 SER 9 3HB SER 9 -0.847 1.523 8.126
66 HG SER 9 HG SER 9 0.241 -1.085 7.839
67 H MET 10 H MET 10 -3.989 1.244 8.392
68 HA MET 10 HA MET 10 -3.604 3.171 10.513
69 HB2 MET 10 2HB MET 10 -5.824 2.894 8.480
70 HB3 MET 10 3HB MET 10 -5.618 4.251 9.579
71 HG2 MET 10 2HG MET 10 -3.298 4.498 8.501
72 HG3 MET 10 3HG MET 10 -3.945 3.463 7.229
73 HE1 MET 10 3HE MET 10 -2.929 6.548 7.990
74 HE2 MET 10 1HE MET 10 -3.902 7.725 7.108
75 HE3 MET 10 2HE MET 10 -4.321 7.303 8.769
76 H CYS 11 H CYS 11 -5.231 0.213 10.111
77 HA CYS 11 HA CYS 11 -7.285 0.749 12.081
78 HB2 CYS 11 2HB CYS 11 -6.622 -1.451 10.222
79 HB3 CYS 11 3HB CYS 11 -7.371 -1.941 11.737
80 HG CYS 11 HG CYS 11 -9.117 0.563 10.678
81 H LEU 12 H LEU 12 -4.100 -0.610 11.953
82 HA LEU 12 HA LEU 12 -4.354 -1.700 14.658
83 HB2 LEU 12 2HB LEU 12 -1.962 -1.843 12.839
84 HB3 LEU 12 3HB LEU 12 -2.283 -2.813 14.275
85 HG LEU 12 HG LEU 12 -4.333 -3.114 12.225
86 HD11 LEU 12 1HD1 LEU 12 -3.142 -3.964 10.479
87 HD12 LEU 12 2HD1 LEU 12 -1.764 -4.406 11.485
88 HD13 LEU 12 3HD1 LEU 12 -2.012 -2.723 11.022
89 HD21 LEU 12 3HD2 LEU 12 -4.364 -5.255 12.981
90 HD22 LEU 12 1HD2 LEU 12 -3.591 -4.498 14.374
91 HD23 LEU 12 2HD2 LEU 12 -2.611 -5.334 13.169
92 H ALA 13 H ALA 13 -2.288 0.520 12.800
93 HA ALA 13 HA ALA 13 -0.594 1.400 14.773
94 HB1 ALA 13 3HB ALA 13 -1.822 3.197 12.690
95 HB2 ALA 13 1HB ALA 13 -0.256 3.380 13.481
96 HB3 ALA 13 2HB ALA 13 -0.529 2.045 12.361
97 H GLN 14 H GLN 14 -3.906 2.452 14.129
98 HA GLN 14 HA GLN 14 -4.024 4.617 15.880
99 HB2 GLN 14 2HB GLN 14 -5.965 2.845 14.555
100 HB3 GLN 14 3HB GLN 14 -6.551 3.596 16.033
101 HG2 GLN 14 2HG GLN 14 -6.855 4.755 13.704
102 HG3 GLN 14 3HG GLN 14 -6.507 5.695 15.154
103 HE21 GLN 14 1HE2 GLN 14 -4.599 3.824 12.813
104 HE22 GLN 14 2HE2 GLN 14 -3.438 5.067 12.510
105 H LEU 15 H LEU 15 -5.048 1.254 16.489
106 HA LEU 15 HA LEU 15 -5.353 1.745 19.307
107 HB2 LEU 15 2HB LEU 15 -5.911 -0.417 17.429
108 HB3 LEU 15 3HB LEU 15 -5.339 -0.985 18.996
109 HG LEU 15 HG LEU 15 -7.766 -0.958 18.917
110 HD11 LEU 15 1HD1 LEU 15 -6.718 1.251 20.679
111 HD12 LEU 15 2HD1 LEU 15 -6.609 -0.472 21.038
112 HD13 LEU 15 3HD1 LEU 15 -8.187 0.308 20.929
113 HD21 LEU 15 3HD2 LEU 15 -7.321 1.846 18.007
114 HD22 LEU 15 1HD2 LEU 15 -8.771 1.461 18.935
115 HD23 LEU 15 2HD2 LEU 15 -8.455 0.632 17.411
116 H PHE 16 H PHE 16 -2.681 1.539 17.514
117 HA PHE 16 HA PHE 16 -1.155 -0.222 19.259
118 HB2 PHE 16 2HB PHE 16 -0.331 -0.564 17.154
119 HB3 PHE 16 3HB PHE 16 -0.705 1.073 16.626
120 HD1 PHE 16 HD1 PHE 16 0.853 2.888 16.995
121 HD2 PHE 16 HD2 PHE 16 1.760 -1.079 18.240
122 HE1 PHE 16 HE1 PHE 16 3.215 3.519 17.271
123 HE2 PHE 16 HE2 PHE 16 4.123 -0.455 18.519
124 HZ PHE 16 HZ PHE 16 4.854 1.847 18.035
125 H LEU 17 H LEU 17 -1.739 3.153 18.734
126 HA LEU 17 HA LEU 17 0.546 4.009 20.294
127 HB2 LEU 17 2HB LEU 17 -1.725 5.800 19.555
128 HB3 LEU 17 3HB LEU 17 -0.011 6.176 19.710
129 HG LEU 17 HG LEU 17 -0.338 4.322 17.571
130 HD11 LEU 17 1HD1 LEU 17 -1.960 6.805 17.124
131 HD12 LEU 17 2HD1 LEU 17 -2.698 5.297 17.661
132 HD13 LEU 17 3HD1 LEU 17 -1.846 5.361 16.119
133 HD21 LEU 17 3HD2 LEU 17 1.115 5.719 16.564
134 HD22 LEU 17 1HD2 LEU 17 1.253 6.415 18.179
135 HD23 LEU 17 2HD2 LEU 17 0.188 7.160 16.986
Start of MODEL 9
1 H1 MET 1 H MET 1 0.628 -8.529 -1.335
2 HA MET 1 HA MET 1 -0.045 -10.729 -3.175
3 HB2 MET 1 2HB MET 1 -1.830 -11.416 -1.699
4 HB3 MET 1 3HB MET 1 -0.319 -11.388 -0.800
5 HG2 MET 1 2HG MET 1 -1.086 -8.984 -0.145
6 HG3 MET 1 3HG MET 1 -2.680 -9.585 -0.595
7 HE1 MET 1 3HE MET 1 -2.172 -12.954 0.813
8 HE2 MET 1 1HE MET 1 -3.533 -12.303 1.727
9 HE3 MET 1 2HE MET 1 -3.357 -11.919 0.015
10 H GLY 2 H GLY 2 -0.988 -7.646 -1.765
11 HA2 GLY 2 2HA GLY 2 -2.099 -5.914 -2.873
12 HA3 GLY 2 3HA GLY 2 -2.499 -7.031 -4.170
13 H SER 3 H SER 3 -3.121 -7.698 -0.787
14 HA SER 3 HA SER 3 -5.929 -8.056 -1.370
15 HB2 SER 3 2HB SER 3 -4.292 -8.470 1.137
16 HB3 SER 3 3HB SER 3 -6.029 -8.764 1.054
17 HG SER 3 HG SER 3 -5.384 -10.677 0.434
18 H LEU 4 H LEU 4 -4.657 -6.629 1.595
19 HA LEU 4 HA LEU 4 -5.984 -4.097 1.034
20 HB2 LEU 4 2HB LEU 4 -7.362 -6.020 2.387
21 HB3 LEU 4 3HB LEU 4 -6.600 -5.135 3.707
22 HG LEU 4 HG LEU 4 -8.875 -4.344 3.242
23 HD11 LEU 4 1HD1 LEU 4 -8.267 -1.915 2.901
24 HD12 LEU 4 2HD1 LEU 4 -6.600 -2.455 2.701
25 HD13 LEU 4 3HD1 LEU 4 -7.444 -2.745 4.222
26 HD21 LEU 4 3HD2 LEU 4 -8.160 -4.669 0.583
27 HD22 LEU 4 1HD2 LEU 4 -8.258 -2.921 0.798
28 HD23 LEU 4 2HD2 LEU 4 -9.644 -3.937 1.194
29 H PHE 5 H PHE 5 -4.720 -2.485 1.667
30 HA PHE 5 HA PHE 5 -2.864 -2.947 3.907
31 HB2 PHE 5 2HB PHE 5 -1.154 -1.682 2.776
32 HB3 PHE 5 3HB PHE 5 -1.714 -2.945 1.686
33 HD1 PHE 5 HD1 PHE 5 -3.740 -2.168 0.130
34 HD2 PHE 5 HD2 PHE 5 -0.853 0.410 1.900
35 HE1 PHE 5 HE1 PHE 5 -4.197 -0.476 -1.597
36 HE2 PHE 5 HE2 PHE 5 -1.306 2.106 0.176
37 HZ PHE 5 HZ PHE 5 -2.980 1.665 -1.575
38 H ARG 6 H ARG 6 -5.091 -0.844 2.299
39 HA ARG 6 HA ARG 6 -4.461 1.502 3.821
40 HB2 ARG 6 2HB ARG 6 -5.444 2.008 1.775
41 HB3 ARG 6 3HB ARG 6 -6.639 0.726 1.918
42 HG2 ARG 6 2HG ARG 6 -7.965 1.969 3.392
43 HG3 ARG 6 3HG ARG 6 -6.662 3.108 3.738
44 HD2 ARG 6 2HD ARG 6 -7.597 2.865 0.928
45 HD3 ARG 6 3HD ARG 6 -8.643 3.697 2.078
46 HE ARG 6 HE ARG 6 -6.114 4.768 2.399
47 HH11 ARG 6 1HH1 ARG 6 -8.492 4.520 -0.131
48 HH12 ARG 6 2HH1 ARG 6 -8.018 5.998 -0.901
49 HH21 ARG 6 1HH2 ARG 6 -5.480 6.716 1.395
50 HH22 ARG 6 2HH2 ARG 6 -6.304 7.246 -0.032
51 H SER 7 H SER 7 -7.513 -0.337 3.701
52 HA SER 7 HA SER 7 -8.547 0.635 6.091
53 HB2 SER 7 2HB SER 7 -9.125 -2.154 5.115
54 HB3 SER 7 3HB SER 7 -10.215 -1.017 5.907
55 HG SER 7 HG SER 7 -10.704 -1.008 3.743
56 H GLU 8 H GLU 8 -6.208 -1.862 5.512
57 HA GLU 8 HA GLU 8 -6.405 -3.016 8.143
58 HB2 GLU 8 2HB GLU 8 -4.871 -4.575 7.432
59 HB3 GLU 8 3HB GLU 8 -5.560 -4.083 5.891
60 HG2 GLU 8 2HG GLU 8 -3.289 -4.086 5.475
61 HG3 GLU 8 3HG GLU 8 -3.630 -2.388 5.807
62 H SER 9 H SER 9 -4.443 -0.599 6.540
63 HA SER 9 HA SER 9 -2.383 -0.401 8.445
64 HB2 SER 9 2HB SER 9 -2.020 0.628 6.332
65 HB3 SER 9 3HB SER 9 -3.506 1.571 6.453
66 HG SER 9 HG SER 9 -1.332 1.865 8.246
67 H MET 10 H MET 10 -5.454 1.352 8.126
68 HA MET 10 HA MET 10 -5.023 2.938 10.466
69 HB2 MET 10 2HB MET 10 -7.559 2.375 8.919
70 HB3 MET 10 3HB MET 10 -7.388 3.598 10.171
71 HG2 MET 10 2HG MET 10 -5.823 3.541 7.601
72 HG3 MET 10 3HG MET 10 -7.271 4.505 7.883
73 HE1 MET 10 3HE MET 10 -3.124 4.857 8.540
74 HE2 MET 10 1HE MET 10 -4.169 4.688 7.129
75 HE3 MET 10 2HE MET 10 -3.679 6.291 7.675
76 H CYS 11 H CYS 11 -5.910 -0.272 9.978
77 HA CYS 11 HA CYS 11 -7.624 -0.523 12.286
78 HB2 CYS 11 2HB CYS 11 -7.309 -2.012 10.019
79 HB3 CYS 11 3HB CYS 11 -6.404 -2.968 11.186
80 HG CYS 11 HG CYS 11 -8.773 -4.208 11.276
81 H LEU 12 H LEU 12 -4.250 -1.062 11.491
82 HA LEU 12 HA LEU 12 -3.736 -2.097 14.181
83 HB2 LEU 12 2HB LEU 12 -1.447 -2.525 13.296
84 HB3 LEU 12 3HB LEU 12 -2.733 -3.398 12.465
85 HG LEU 12 HG LEU 12 -2.604 -1.478 10.738
86 HD11 LEU 12 1HD1 LEU 12 0.097 -0.979 10.846
87 HD12 LEU 12 2HD1 LEU 12 -0.405 -0.831 12.530
88 HD13 LEU 12 3HD1 LEU 12 -1.184 0.150 11.288
89 HD21 LEU 12 3HD2 LEU 12 -0.294 -3.404 10.938
90 HD22 LEU 12 1HD2 LEU 12 -0.963 -2.684 9.473
91 HD23 LEU 12 2HD2 LEU 12 -1.915 -3.845 10.399
92 H ALA 13 H ALA 13 -3.243 0.692 12.173
93 HA ALA 13 HA ALA 13 -1.155 1.929 13.594
94 HB1 ALA 13 3HB ALA 13 -2.238 4.064 12.609
95 HB2 ALA 13 1HB ALA 13 -1.560 2.860 11.513
96 HB3 ALA 13 2HB ALA 13 -3.303 2.935 11.772
97 H GLN 14 H GLN 14 -4.662 2.009 14.015
98 HA GLN 14 HA GLN 14 -4.825 4.040 15.917
99 HB2 GLN 14 2HB GLN 14 -6.529 1.820 15.021
100 HB3 GLN 14 3HB GLN 14 -6.821 2.328 16.679
101 HG2 GLN 14 2HG GLN 14 -8.104 3.416 14.665
102 HG3 GLN 14 3HG GLN 14 -7.617 4.367 16.067
103 HE21 GLN 14 1HE2 GLN 14 -6.046 3.223 13.093
104 HE22 GLN 14 2HE2 GLN 14 -5.408 4.762 12.637
105 H LEU 15 H LEU 15 -4.672 0.519 16.471
106 HA LEU 15 HA LEU 15 -4.260 0.871 19.295
107 HB2 LEU 15 2HB LEU 15 -4.732 -1.338 17.451
108 HB3 LEU 15 3HB LEU 15 -3.583 -1.734 18.728
109 HG LEU 15 HG LEU 15 -5.829 -2.417 19.345
110 HD11 LEU 15 1HD1 LEU 15 -4.268 -1.624 21.085
111 HD12 LEU 15 2HD1 LEU 15 -5.959 -1.359 21.507
112 HD13 LEU 15 3HD1 LEU 15 -4.969 -0.012 20.945
113 HD21 LEU 15 3HD2 LEU 15 -7.348 -1.084 18.256
114 HD22 LEU 15 1HD2 LEU 15 -6.473 0.403 18.622
115 HD23 LEU 15 2HD2 LEU 15 -7.413 -0.400 19.881
116 H PHE 16 H PHE 16 -2.281 1.460 16.814
117 HA PHE 16 HA PHE 16 0.112 0.208 17.902
118 HB2 PHE 16 2HB PHE 16 0.356 0.130 15.632
119 HB3 PHE 16 3HB PHE 16 -0.608 1.581 15.372
120 HD1 PHE 16 HD1 PHE 16 0.404 3.778 15.443
121 HD2 PHE 16 HD2 PHE 16 2.729 0.263 16.044
122 HE1 PHE 16 HE1 PHE 16 2.461 5.084 15.101
123 HE2 PHE 16 HE2 PHE 16 4.789 1.564 15.704
124 HZ PHE 16 HZ PHE 16 4.657 3.978 15.233
125 H LEU 17 H LEU 17 -1.508 3.271 17.867
126 HA LEU 17 HA LEU 17 0.804 4.747 18.792
127 HB2 LEU 17 2HB LEU 17 -1.990 5.799 18.887
128 HB3 LEU 17 3HB LEU 17 -0.481 6.661 18.592
129 HG LEU 17 HG LEU 17 -0.892 4.806 16.468
130 HD11 LEU 17 1HD1 LEU 17 -3.195 6.710 16.713
131 HD12 LEU 17 2HD1 LEU 17 -3.296 5.053 17.307
132 HD13 LEU 17 3HD1 LEU 17 -2.986 5.359 15.598
133 HD21 LEU 17 3HD2 LEU 17 -0.253 6.576 15.226
134 HD22 LEU 17 1HD2 LEU 17 0.163 7.266 16.795
135 HD23 LEU 17 2HD2 LEU 17 -1.370 7.680 16.029
Start of MODEL 10
1 H1 MET 1 H MET 1 -3.969 -2.130 -5.083
2 HA MET 1 HA MET 1 -6.635 -1.068 -4.423
3 HB2 MET 1 2HB MET 1 -7.395 -3.276 -3.832
4 HB3 MET 1 3HB MET 1 -6.769 -3.319 -5.475
5 HG2 MET 1 2HG MET 1 -4.563 -4.073 -4.311
6 HG3 MET 1 3HG MET 1 -5.641 -4.502 -2.986
7 HE1 MET 1 3HE MET 1 -6.861 -6.939 -2.941
8 HE2 MET 1 1HE MET 1 -7.951 -5.696 -3.557
9 HE3 MET 1 2HE MET 1 -7.857 -7.263 -4.361
10 H GLY 2 H GLY 2 -3.641 -2.521 -3.275
11 HA2 GLY 2 2HA GLY 2 -2.751 -1.366 -1.239
12 HA3 GLY 2 3HA GLY 2 -4.345 -1.629 -0.546
13 H SER 3 H SER 3 -3.624 -4.262 -2.415
14 HA SER 3 HA SER 3 -3.010 -6.407 -1.975
15 HB2 SER 3 2HB SER 3 -0.805 -5.295 -1.481
16 HB3 SER 3 3HB SER 3 -1.271 -5.261 0.219
17 HG SER 3 HG SER 3 -0.064 -7.104 -0.146
18 H LEU 4 H LEU 4 -5.047 -4.789 -0.273
19 HA LEU 4 HA LEU 4 -6.655 -5.371 1.235
20 HB2 LEU 4 2HB LEU 4 -7.137 -7.551 1.504
21 HB3 LEU 4 3HB LEU 4 -5.926 -7.749 0.239
22 HG LEU 4 HG LEU 4 -4.388 -7.863 2.485
23 HD11 LEU 4 1HD1 LEU 4 -6.271 -9.772 3.454
24 HD12 LEU 4 2HD1 LEU 4 -7.038 -8.185 3.395
25 HD13 LEU 4 3HD1 LEU 4 -5.539 -8.406 4.297
26 HD21 LEU 4 3HD2 LEU 4 -4.056 -10.095 1.926
27 HD22 LEU 4 1HD2 LEU 4 -4.620 -9.382 0.414
28 HD23 LEU 4 2HD2 LEU 4 -5.730 -10.319 1.415
29 H PHE 5 H PHE 5 -3.371 -5.251 1.873
30 HA PHE 5 HA PHE 5 -3.862 -5.072 4.773
31 HB2 PHE 5 2HB PHE 5 -1.954 -6.631 3.355
32 HB3 PHE 5 3HB PHE 5 -1.074 -5.375 4.221
33 HD1 PHE 5 HD2 PHE 5 -2.362 -5.021 6.699
34 HD2 PHE 5 HD1 PHE 5 -1.884 -8.621 4.478
35 HE1 PHE 5 HE2 PHE 5 -2.549 -6.323 8.777
36 HE2 PHE 5 HE1 PHE 5 -2.071 -9.929 6.553
37 HZ PHE 5 HZ PHE 5 -2.403 -8.781 8.707
38 H ARG 6 H ARG 6 -4.070 -3.012 2.633
39 HA ARG 6 HA ARG 6 -1.836 -1.235 3.120
40 HB2 ARG 6 2HB ARG 6 -2.585 -1.003 0.940
41 HB3 ARG 6 3HB ARG 6 -4.276 -1.166 1.393
42 HG2 ARG 6 2HG ARG 6 -4.317 1.061 2.279
43 HG3 ARG 6 3HG ARG 6 -2.576 1.230 2.042
44 HD2 ARG 6 2HD ARG 6 -3.135 2.195 0.098
45 HD3 ARG 6 3HD ARG 6 -3.418 0.546 -0.460
46 HE ARG 6 HE ARG 6 -5.661 0.989 -0.510
47 HH11 ARG 6 1HH1 ARG 6 -4.064 3.428 1.393
48 HH12 ARG 6 2HH1 ARG 6 -5.478 4.414 1.554
49 HH21 ARG 6 1HH2 ARG 6 -7.531 2.279 -0.305
50 HH22 ARG 6 2HH2 ARG 6 -7.450 3.760 0.589
51 H SER 7 H SER 7 -5.371 -0.876 3.481
52 HA SER 7 HA SER 7 -5.109 1.338 5.259
53 HB2 SER 7 2HB SER 7 -7.677 -0.016 5.419
54 HB3 SER 7 3HB SER 7 -7.300 1.606 4.839
55 HG SER 7 HG SER 7 -8.006 -0.462 3.400
56 H GLU 8 H GLU 8 -5.361 -2.109 5.647
57 HA GLU 8 HA GLU 8 -6.255 -2.309 8.267
58 HB2 GLU 8 2HB GLU 8 -4.549 -3.997 6.504
59 HB3 GLU 8 3HB GLU 8 -4.577 -4.377 8.221
60 HG2 GLU 8 2HG GLU 8 -7.246 -3.968 7.231
61 HG3 GLU 8 3HG GLU 8 -6.399 -5.181 6.272
62 H SER 9 H SER 9 -3.054 -1.561 7.024
63 HA SER 9 HA SER 9 -1.677 -1.774 9.492
64 HB2 SER 9 2HB SER 9 -1.062 -0.996 6.775
65 HB3 SER 9 3HB SER 9 -0.311 0.113 7.923
66 HG SER 9 HG SER 9 -0.098 -2.719 7.983
67 H MET 10 H MET 10 -3.361 0.856 7.873
68 HA MET 10 HA MET 10 -2.567 2.783 9.887
69 HB2 MET 10 2HB MET 10 -3.913 2.857 7.271
70 HB3 MET 10 3HB MET 10 -4.521 4.023 8.439
71 HG2 MET 10 2HG MET 10 -1.750 4.198 8.625
72 HG3 MET 10 3HG MET 10 -2.088 4.054 6.902
73 HE1 MET 10 3HE MET 10 -3.458 5.279 5.617
74 HE2 MET 10 1HE MET 10 -4.342 6.760 5.988
75 HE3 MET 10 2HE MET 10 -2.626 6.835 5.585
76 H CYS 11 H CYS 11 -4.903 0.408 9.616
77 HA CYS 11 HA CYS 11 -6.886 1.840 11.218
78 HB2 CYS 11 2HB CYS 11 -7.003 -0.262 9.283
79 HB3 CYS 11 3HB CYS 11 -7.646 -0.869 10.805
80 HG CYS 11 HG CYS 11 -9.961 -0.076 9.892
81 H LEU 12 H LEU 12 -4.404 -0.550 11.489
82 HA LEU 12 HA LEU 12 -5.312 -1.333 14.161
83 HB2 LEU 12 2HB LEU 12 -4.740 -3.234 12.957
84 HB3 LEU 12 3HB LEU 12 -3.347 -2.457 12.207
85 HG LEU 12 HG LEU 12 -2.891 -4.279 13.926
86 HD11 LEU 12 1HD1 LEU 12 -0.856 -3.390 14.081
87 HD12 LEU 12 2HD1 LEU 12 -1.446 -1.993 14.980
88 HD13 LEU 12 3HD1 LEU 12 -1.509 -1.998 13.218
89 HD21 LEU 12 3HD2 LEU 12 -4.602 -2.768 15.482
90 HD22 LEU 12 1HD2 LEU 12 -3.004 -2.384 16.123
91 HD23 LEU 12 2HD2 LEU 12 -3.543 -4.062 16.046
92 H ALA 13 H ALA 13 -2.518 0.067 12.494
93 HA ALA 13 HA ALA 13 -0.752 0.342 14.588
94 HB1 ALA 13 3HB ALA 13 -1.267 2.065 12.187
95 HB2 ALA 13 1HB ALA 13 0.001 2.454 13.350
96 HB3 ALA 13 2HB ALA 13 0.048 0.925 12.471
97 H GLN 14 H GLN 14 -3.486 2.419 13.742
98 HA GLN 14 HA GLN 14 -3.013 4.509 15.521
99 HB2 GLN 14 2HB GLN 14 -5.330 3.460 14.040
100 HB3 GLN 14 3HB GLN 14 -5.738 4.370 15.489
101 HG2 GLN 14 2HG GLN 14 -5.494 5.555 13.170
102 HG3 GLN 14 3HG GLN 14 -4.946 6.335 14.653
103 HE21 GLN 14 1HE2 GLN 14 -3.616 3.923 12.409
104 HE22 GLN 14 2HE2 GLN 14 -2.095 4.714 12.193
105 H LEU 15 H LEU 15 -5.115 1.667 16.002
106 HA LEU 15 HA LEU 15 -5.434 2.245 18.802
107 HB2 LEU 15 2HB LEU 15 -6.538 0.375 16.853
108 HB3 LEU 15 3HB LEU 15 -6.289 -0.343 18.443
109 HG LEU 15 HG LEU 15 -8.563 0.473 18.208
110 HD11 LEU 15 1HD1 LEU 15 -7.454 0.566 20.408
111 HD12 LEU 15 2HD1 LEU 15 -8.684 1.814 20.212
112 HD13 LEU 15 3HD1 LEU 15 -6.976 2.230 20.074
113 HD21 LEU 15 3HD2 LEU 15 -7.171 2.975 17.379
114 HD22 LEU 15 1HD2 LEU 15 -8.724 3.089 18.206
115 HD23 LEU 15 2HD2 LEU 15 -8.596 2.195 16.691
116 H PHE 16 H PHE 16 -2.860 1.168 17.185
117 HA PHE 16 HA PHE 16 -2.114 -0.985 18.998
118 HB2 PHE 16 2HB PHE 16 -1.307 -1.590 16.946
119 HB3 PHE 16 3HB PHE 16 -1.090 0.077 16.421
120 HD1 PHE 16 HD1 PHE 16 0.947 1.286 16.924
121 HD2 PHE 16 HD2 PHE 16 0.424 -2.755 18.155
122 HE1 PHE 16 HE1 PHE 16 3.361 1.111 17.365
123 HE2 PHE 16 HE2 PHE 16 2.837 -2.935 18.599
124 HZ PHE 16 HZ PHE 16 4.309 -1.001 18.205
125 H LEU 17 H LEU 17 -1.530 2.393 18.492
126 HA LEU 17 HA LEU 17 0.800 2.466 20.210
127 HB2 LEU 17 2HB LEU 17 -0.710 4.895 19.354
128 HB3 LEU 17 3HB LEU 17 1.020 4.693 19.627
129 HG LEU 17 HG LEU 17 0.252 3.034 17.441
130 HD11 LEU 17 1HD1 LEU 17 -1.663 4.729 17.397
131 HD12 LEU 17 2HD1 LEU 17 -0.741 4.494 15.913
132 HD13 LEU 17 3HD1 LEU 17 -0.438 5.907 16.924
133 HD21 LEU 17 3HD2 LEU 17 2.141 3.881 16.551
134 HD22 LEU 17 1HD2 LEU 17 2.393 4.496 18.184
135 HD23 LEU 17 2HD2 LEU 17 1.709 5.546 16.943