Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
614418 | 5u9v RC | 30214 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -15.450 -0.064 -5.380
2 H2 GLY 1 2HT GLY 1 -13.835 -0.417 -4.990
3 H3 GLY 1 3HT GLY 1 -15.094 -1.350 -4.333
4 HA2 GLY 1 2HA GLY 1 -15.615 -2.320 -6.408
5 HA3 GLY 1 1HA GLY 1 -14.550 -1.180 -7.244
6 H VAL 2 H VAL 2 -14.393 -4.066 -7.332
7 HA VAL 2 HA VAL 2 -12.511 -5.243 -5.669
8 HB VAL 2 HB VAL 2 -13.162 -5.633 -8.587
9 HG11 VAL 2 1HG1 VAL 2 -11.054 -6.994 -6.907
10 HG12 VAL 2 2HG1 VAL 2 -10.895 -6.323 -8.531
11 HG13 VAL 2 3HG1 VAL 2 -11.811 -7.808 -8.276
12 HG21 VAL 2 1HG2 VAL 2 -14.786 -6.324 -6.812
13 HG22 VAL 2 2HG2 VAL 2 -13.546 -7.384 -6.139
14 HG23 VAL 2 3HG2 VAL 2 -14.182 -7.687 -7.756
15 H VAL 3 H VAL 3 -11.817 -3.792 -8.860
16 HA VAL 3 HA VAL 3 -9.048 -3.867 -8.729
17 HB VAL 3 HB VAL 3 -10.809 -1.769 -10.019
18 HG11 VAL 3 1HG1 VAL 3 -8.605 -0.864 -9.912
19 HG12 VAL 3 2HG1 VAL 3 -8.749 -1.558 -11.528
20 HG13 VAL 3 3HG1 VAL 3 -7.868 -2.426 -10.271
21 HG21 VAL 3 1HG2 VAL 3 -10.661 -3.133 -11.992
22 HG22 VAL 3 2HG2 VAL 3 -11.123 -4.210 -10.675
23 HG23 VAL 3 3HG2 VAL 3 -9.456 -4.184 -11.250
24 H ASP 4 H ASP 4 -11.292 -1.553 -7.319
25 HA ASP 4 HA ASP 4 -9.334 0.373 -6.554
26 HB2 ASP 4 2HB ASP 4 -11.862 0.705 -6.752
27 HB3 ASP 4 1HB ASP 4 -11.979 -0.080 -5.178
28 H ILE 5 H ILE 5 -10.891 -2.336 -4.860
29 HA ILE 5 HA ILE 5 -9.889 -1.948 -2.307
30 HB ILE 5 HB ILE 5 -10.479 -4.475 -3.849
31 HG12 ILE 5 2HG1 ILE 5 -11.871 -3.160 -1.495
32 HG13 ILE 5 1HG1 ILE 5 -12.328 -2.892 -3.176
33 HG21 ILE 5 1HG2 ILE 5 -9.499 -4.120 -1.012
34 HG22 ILE 5 2HG2 ILE 5 -8.880 -5.212 -2.251
35 HG23 ILE 5 3HG2 ILE 5 -10.443 -5.528 -1.500
36 HD11 ILE 5 1HD1 ILE 5 -12.519 -5.458 -3.349
37 HD12 ILE 5 2HD1 ILE 5 -13.775 -4.620 -2.439
38 HD13 ILE 5 3HD1 ILE 5 -12.477 -5.454 -1.586
39 H LEU 6 H LEU 6 -8.274 -3.233 -5.156
40 HA LEU 6 HA LEU 6 -5.986 -4.287 -3.879
41 HB2 LEU 6 2HB LEU 6 -5.877 -3.025 -6.608
42 HB3 LEU 6 1HB LEU 6 -5.052 -4.471 -6.017
43 HG LEU 6 HG LEU 6 -7.991 -4.158 -6.672
44 HD11 LEU 6 1HD1 LEU 6 -7.510 -6.031 -8.206
45 HD12 LEU 6 2HD1 LEU 6 -5.828 -6.036 -7.673
46 HD13 LEU 6 3HD1 LEU 6 -6.470 -4.650 -8.553
47 HD21 LEU 6 1HD2 LEU 6 -8.072 -5.458 -4.711
48 HD22 LEU 6 2HD2 LEU 6 -6.527 -6.237 -5.052
49 HD23 LEU 6 3HD2 LEU 6 -7.961 -6.677 -5.979
50 H LYS 7 H LYS 7 -6.639 -1.116 -5.316
51 HA LYS 7 HA LYS 7 -4.141 0.056 -4.855
52 HB2 LYS 7 2HB LYS 7 -6.654 1.667 -4.626
53 HB3 LYS 7 1HB LYS 7 -5.149 2.082 -5.408
54 HG2 LYS 7 2HG LYS 7 -6.876 -0.155 -6.464
55 HG3 LYS 7 1HG LYS 7 -7.192 1.520 -6.902
56 HD2 LYS 7 2HD LYS 7 -5.325 1.679 -8.204
57 HD3 LYS 7 1HD LYS 7 -4.373 0.678 -7.116
58 HE2 LYS 7 2HE LYS 7 -5.161 -1.328 -8.057
59 HE3 LYS 7 1HE LYS 7 -6.570 -0.543 -8.772
60 HZ1 LYS 7 1HZ LYS 7 -3.793 0.091 -9.585
61 HZ2 LYS 7 2HZ LYS 7 -5.235 0.508 -10.381
62 HZ3 LYS 7 3HZ LYS 7 -4.719 -1.110 -10.345
63 H GLY 8 H GLY 8 -7.110 0.277 -2.899
64 HA2 GLY 8 2HA GLY 8 -6.140 1.769 -0.781
65 HA3 GLY 8 1HA GLY 8 -7.407 0.549 -0.626
66 H ALA 9 H ALA 9 -5.511 -1.540 -1.600
67 HA ALA 9 HA ALA 9 -4.490 -2.322 0.972
68 HB1 ALA 9 1HB ALA 9 -3.809 -3.658 -1.641
69 HB2 ALA 9 2HB ALA 9 -5.398 -3.848 -0.899
70 HB3 ALA 9 3HB ALA 9 -3.954 -4.381 -0.038
71 H ALA 10 H ALA 10 -3.174 -0.913 -1.952
72 HA ALA 10 HA ALA 10 -0.446 -1.398 -1.566
73 HB1 ALA 10 1HB ALA 10 -1.447 -0.406 -3.620
74 HB2 ALA 10 2HB ALA 10 -0.061 0.506 -3.022
75 HB3 ALA 10 3HB ALA 10 -1.697 1.098 -2.734
76 H LYS 11 H LYS 11 -2.544 1.123 -0.237
77 HA LYS 11 HA LYS 11 -0.552 2.702 0.953
78 HB2 LYS 11 2HB LYS 11 -3.104 3.118 0.638
79 HB3 LYS 11 1HB LYS 11 -3.206 2.358 2.216
80 HG2 LYS 11 2HG LYS 11 -1.477 3.991 3.047
81 HG3 LYS 11 1HG LYS 11 -1.626 4.830 1.497
82 HD2 LYS 11 2HD LYS 11 -3.995 5.243 1.903
83 HD3 LYS 11 1HD LYS 11 -3.933 4.305 3.396
84 HE2 LYS 11 2HE LYS 11 -2.170 5.930 4.222
85 HE3 LYS 11 1HE LYS 11 -2.539 6.928 2.815
86 HZ1 LYS 11 1HZ LYS 11 -4.017 6.583 5.243
87 HZ2 LYS 11 2HZ LYS 11 -4.979 6.350 3.862
88 HZ3 LYS 11 3HZ LYS 11 -4.130 7.806 4.074
89 H ASP 12 H ASP 12 -2.476 0.029 2.279
90 HA ASP 12 HA ASP 12 -1.404 0.055 4.873
91 HB2 ASP 12 2HB ASP 12 -3.418 -1.237 4.158
92 HB3 ASP 12 1HB ASP 12 -2.346 -2.367 3.319
93 H ILE 13 H ILE 13 -0.343 -1.622 1.935
94 HA ILE 13 HA ILE 13 1.807 -3.028 3.173
95 HB ILE 13 HB ILE 13 1.432 -2.253 0.270
96 HG12 ILE 13 2HG1 ILE 13 0.790 -4.907 1.572
97 HG13 ILE 13 1HG1 ILE 13 -0.414 -3.619 1.449
98 HG21 ILE 13 1HG2 ILE 13 3.724 -2.927 0.733
99 HG22 ILE 13 2HG2 ILE 13 2.904 -4.244 -0.107
100 HG23 ILE 13 3HG2 ILE 13 3.162 -4.335 1.635
101 HD11 ILE 13 1HD1 ILE 13 -0.357 -3.644 -0.925
102 HD12 ILE 13 2HD1 ILE 13 -0.375 -5.344 -0.456
103 HD13 ILE 13 3HD1 ILE 13 1.135 -4.583 -0.958
104 H ALA 14 H ALA 14 1.729 -0.141 1.081
105 HA ALA 14 HA ALA 14 4.437 0.493 1.161
106 HB1 ALA 14 1HB ALA 14 1.982 2.231 0.916
107 HB2 ALA 14 2HB ALA 14 3.065 1.687 -0.365
108 HB3 ALA 14 3HB ALA 14 3.616 2.886 0.805
109 H GLY 15 H GLY 15 2.046 0.736 3.631
110 HA2 GLY 15 2HA GLY 15 2.973 2.794 5.243
111 HA3 GLY 15 1HA GLY 15 2.197 1.334 5.850
112 H HIS 16 H HIS 16 3.810 -0.664 5.625
113 HA HIS 16 HA HIS 16 5.920 -0.156 7.462
114 HB2 HIS 16 2HB HIS 16 6.421 -2.494 7.279
115 HB3 HIS 16 1HB HIS 16 4.666 -2.331 7.210
116 HD2 HIS 16 2HD HIS 16 3.529 -3.412 4.920
117 HE1 HIS 16 1HE HIS 16 7.081 -3.895 2.691
118 HE2 HIS 16 2HE HIS 16 4.583 -4.345 2.721
119 H LEU 17 H LEU 17 5.708 -0.010 4.033
120 HA LEU 17 HA LEU 17 8.475 -0.472 3.462
121 HB2 LEU 17 2HB LEU 17 6.377 -0.570 1.882
122 HB3 LEU 17 1HB LEU 17 6.673 1.164 1.700
123 HG LEU 17 HG LEU 17 7.804 -0.091 -0.072
124 HD11 LEU 17 1HD1 LEU 17 8.782 1.986 1.119
125 HD12 LEU 17 2HD1 LEU 17 9.854 1.044 0.084
126 HD13 LEU 17 3HD1 LEU 17 9.932 0.856 1.835
127 HD21 LEU 17 1HD2 LEU 17 9.789 -1.292 1.791
128 HD22 LEU 17 2HD2 LEU 17 9.137 -1.920 0.279
129 HD23 LEU 17 3HD2 LEU 17 8.200 -2.061 1.764
130 H ALA 18 H ALA 18 6.514 2.511 3.273
131 HA ALA 18 HA ALA 18 8.643 4.299 3.017
132 HB1 ALA 18 1HB ALA 18 6.165 4.780 2.723
133 HB2 ALA 18 2HB ALA 18 7.090 6.023 3.566
134 HB3 ALA 18 3HB ALA 18 6.072 4.909 4.479
135 H SER 19 H SER 19 7.672 2.449 5.711
136 HA SER 19 HA SER 19 8.490 4.137 7.828
137 HB2 SER 19 2HB SER 19 8.241 2.267 9.213
138 HB3 SER 19 1HB SER 19 7.128 1.928 7.890
139 HG SER 19 HG SER 19 8.266 0.131 7.863
140 H LYS 20 H LYS 20 10.206 1.693 5.914
141 HA LYS 20 HA LYS 20 12.636 1.904 7.376
142 HB2 LYS 20 2HB LYS 20 13.080 0.031 6.228
143 HB3 LYS 20 1HB LYS 20 11.581 0.258 5.335
144 HG2 LYS 20 2HG LYS 20 13.165 0.202 3.622
145 HG3 LYS 20 1HG LYS 20 12.980 1.927 3.903
146 HD2 LYS 20 2HD LYS 20 15.285 1.814 3.989
147 HD3 LYS 20 1HD LYS 20 14.939 1.455 5.680
148 HE2 LYS 20 2HE LYS 20 16.424 -0.264 5.039
149 HE3 LYS 20 1HE LYS 20 14.835 -1.021 4.924
150 HZ1 LYS 20 1HZ LYS 20 14.815 -0.509 2.555
151 HZ2 LYS 20 2HZ LYS 20 16.147 -1.481 2.963
152 HZ3 LYS 20 3HZ LYS 20 16.360 0.180 2.676
153 H VAL 21 H VAL 21 11.233 3.593 4.705
154 HA VAL 21 HA VAL 21 13.590 4.834 3.724
155 HB VAL 21 HB VAL 21 10.812 5.943 3.579
156 HG11 VAL 21 1HG1 VAL 21 11.675 6.803 1.393
157 HG12 VAL 21 2HG1 VAL 21 13.264 6.167 1.820
158 HG13 VAL 21 3HG1 VAL 21 12.541 7.454 2.785
159 HG21 VAL 21 1HG2 VAL 21 10.847 3.545 2.911
160 HG22 VAL 21 2HG2 VAL 21 12.131 3.911 1.759
161 HG23 VAL 21 3HG2 VAL 21 10.526 4.608 1.542
162 H MET 22 H MET 22 11.735 5.306 6.539
163 HA MET 22 HA MET 22 12.432 8.097 6.908
164 HB2 MET 22 2HB MET 22 10.312 7.222 7.794
165 HB3 MET 22 1HB MET 22 11.206 6.095 8.824
166 HG2 MET 22 2HG MET 22 11.813 9.039 8.972
167 HG3 MET 22 1HG MET 22 10.401 8.392 9.819
168 HE1 MET 22 1HE MET 22 12.595 9.927 11.027
169 HE2 MET 22 2HE MET 22 13.355 9.068 12.364
170 HE3 MET 22 3HE MET 22 11.599 9.181 12.284
171 HN1 NH2 23 HN1 NH2 23 13.212 5.143 8.844
172 HN2 NH2 23 HN2 NH2 23 14.735 5.706 9.338
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -16.613 -2.047 -5.709
2 H2 GLY 1 2HT GLY 1 -16.037 -0.559 -5.124
3 H3 GLY 1 3HT GLY 1 -15.350 -2.015 -4.577
4 HA2 GLY 1 2HA GLY 1 -15.262 -1.742 -7.435
5 HA3 GLY 1 1HA GLY 1 -14.371 -0.474 -6.579
6 H VAL 2 H VAL 2 -14.517 -3.845 -7.369
7 HA VAL 2 HA VAL 2 -12.740 -4.995 -5.575
8 HB VAL 2 HB VAL 2 -13.301 -5.520 -8.490
9 HG11 VAL 2 1HG1 VAL 2 -12.035 -7.720 -8.011
10 HG12 VAL 2 2HG1 VAL 2 -11.294 -6.850 -6.668
11 HG13 VAL 2 3HG1 VAL 2 -11.064 -6.281 -8.321
12 HG21 VAL 2 1HG2 VAL 2 -13.865 -7.042 -5.924
13 HG22 VAL 2 2HG2 VAL 2 -14.348 -7.553 -7.542
14 HG23 VAL 2 3HG2 VAL 2 -15.038 -6.092 -6.835
15 H VAL 3 H VAL 3 -11.885 -3.737 -8.807
16 HA VAL 3 HA VAL 3 -9.130 -3.908 -8.586
17 HB VAL 3 HB VAL 3 -10.773 -1.810 -10.023
18 HG11 VAL 3 1HG1 VAL 3 -8.657 -1.741 -11.473
19 HG12 VAL 3 2HG1 VAL 3 -7.847 -2.564 -10.140
20 HG13 VAL 3 3HG1 VAL 3 -8.549 -0.966 -9.892
21 HG21 VAL 3 1HG2 VAL 3 -10.360 -3.294 -11.981
22 HG22 VAL 3 2HG2 VAL 3 -11.286 -4.107 -10.719
23 HG23 VAL 3 3HG2 VAL 3 -9.567 -4.451 -10.911
24 H ASP 4 H ASP 4 -11.315 -1.441 -7.346
25 HA ASP 4 HA ASP 4 -9.296 0.435 -6.612
26 HB2 ASP 4 2HB ASP 4 -11.737 0.960 -6.904
27 HB3 ASP 4 1HB ASP 4 -12.041 0.116 -5.385
28 H ILE 5 H ILE 5 -11.019 -2.118 -4.840
29 HA ILE 5 HA ILE 5 -10.064 -1.659 -2.281
30 HB ILE 5 HB ILE 5 -10.737 -4.227 -3.720
31 HG12 ILE 5 2HG1 ILE 5 -12.142 -2.721 -1.491
32 HG13 ILE 5 1HG1 ILE 5 -12.522 -2.517 -3.202
33 HG21 ILE 5 1HG2 ILE 5 -9.845 -3.768 -0.868
34 HG22 ILE 5 2HG2 ILE 5 -9.234 -4.952 -2.023
35 HG23 ILE 5 3HG2 ILE 5 -10.838 -5.154 -1.321
36 HD11 ILE 5 1HD1 ILE 5 -12.839 -5.080 -3.247
37 HD12 ILE 5 2HD1 ILE 5 -14.086 -4.128 -2.444
38 HD13 ILE 5 3HD1 ILE 5 -12.873 -4.977 -1.487
39 H LEU 6 H LEU 6 -8.441 -3.162 -5.019
40 HA LEU 6 HA LEU 6 -6.252 -4.277 -3.631
41 HB2 LEU 6 2HB LEU 6 -5.989 -3.133 -6.400
42 HB3 LEU 6 1HB LEU 6 -5.264 -4.596 -5.728
43 HG LEU 6 HG LEU 6 -8.160 -4.152 -6.488
44 HD11 LEU 6 1HD1 LEU 6 -6.039 -6.135 -7.367
45 HD12 LEU 6 2HD1 LEU 6 -6.671 -4.794 -8.321
46 HD13 LEU 6 3HD1 LEU 6 -7.718 -6.150 -7.906
47 HD21 LEU 6 1HD2 LEU 6 -8.366 -5.372 -4.483
48 HD22 LEU 6 2HD2 LEU 6 -6.859 -6.247 -4.752
49 HD23 LEU 6 3HD2 LEU 6 -8.290 -6.640 -5.704
50 H LYS 7 H LYS 7 -6.632 -1.156 -5.270
51 HA LYS 7 HA LYS 7 -4.127 -0.074 -4.827
52 HB2 LYS 7 2HB LYS 7 -6.581 1.623 -4.527
53 HB3 LYS 7 1HB LYS 7 -5.074 2.009 -5.320
54 HG2 LYS 7 2HG LYS 7 -6.869 -0.170 -6.385
55 HG3 LYS 7 1HG LYS 7 -7.148 1.516 -6.798
56 HD2 LYS 7 2HD LYS 7 -5.307 1.639 -8.133
57 HD3 LYS 7 1HD LYS 7 -4.351 0.627 -7.056
58 HE2 LYS 7 2HE LYS 7 -5.531 -1.379 -7.883
59 HE3 LYS 7 1HE LYS 7 -6.482 -0.366 -8.969
60 HZ1 LYS 7 1HZ LYS 7 -3.524 -0.380 -9.018
61 HZ2 LYS 7 2HZ LYS 7 -4.594 0.199 -10.203
62 HZ3 LYS 7 3HZ LYS 7 -4.442 -1.472 -9.935
63 H GLY 8 H GLY 8 -7.000 0.214 -2.757
64 HA2 GLY 8 2HA GLY 8 -5.954 1.710 -0.687
65 HA3 GLY 8 1HA GLY 8 -7.197 0.475 -0.470
66 H ALA 9 H ALA 9 -5.288 -1.586 -1.524
67 HA ALA 9 HA ALA 9 -4.173 -2.348 1.013
68 HB1 ALA 9 1HB ALA 9 -5.096 -3.882 -0.854
69 HB2 ALA 9 2HB ALA 9 -3.637 -4.394 -0.007
70 HB3 ALA 9 3HB ALA 9 -3.517 -3.670 -1.610
71 H ALA 10 H ALA 10 -2.937 -0.991 -1.988
72 HA ALA 10 HA ALA 10 -0.202 -1.394 -1.641
73 HB1 ALA 10 1HB ALA 10 -1.274 -0.439 -3.681
74 HB2 ALA 10 2HB ALA 10 0.119 0.493 -3.131
75 HB3 ALA 10 3HB ALA 10 -1.514 1.073 -2.804
76 H LYS 11 H LYS 11 -2.311 1.124 -0.318
77 HA LYS 11 HA LYS 11 -0.318 2.736 0.831
78 HB2 LYS 11 2HB LYS 11 -2.874 3.132 0.528
79 HB3 LYS 11 1HB LYS 11 -2.962 2.392 2.116
80 HG2 LYS 11 2HG LYS 11 -1.306 4.045 2.964
81 HG3 LYS 11 1HG LYS 11 -1.335 4.832 1.379
82 HD2 LYS 11 2HD LYS 11 -3.626 5.453 1.622
83 HD3 LYS 11 1HD LYS 11 -3.844 4.386 3.010
84 HE2 LYS 11 2HE LYS 11 -1.896 6.700 3.030
85 HE3 LYS 11 1HE LYS 11 -3.573 6.867 3.551
86 HZ1 LYS 11 1HZ LYS 11 -3.028 6.002 5.498
87 HZ2 LYS 11 2HZ LYS 11 -1.407 5.872 5.006
88 HZ3 LYS 11 3HZ LYS 11 -2.482 4.581 4.751
89 H ASP 12 H ASP 12 -2.250 0.111 2.247
90 HA ASP 12 HA ASP 12 -1.108 0.182 4.813
91 HB2 ASP 12 2HB ASP 12 -3.188 -1.088 4.036
92 HB3 ASP 12 1HB ASP 12 -2.075 -2.330 3.448
93 H ILE 13 H ILE 13 -0.243 -1.744 1.949
94 HA ILE 13 HA ILE 13 1.908 -3.138 3.165
95 HB ILE 13 HB ILE 13 1.476 -2.467 0.244
96 HG12 ILE 13 2HG1 ILE 13 0.775 -5.044 1.662
97 HG13 ILE 13 1HG1 ILE 13 -0.381 -3.712 1.548
98 HG21 ILE 13 1HG2 ILE 13 3.751 -3.215 0.659
99 HG22 ILE 13 2HG2 ILE 13 2.854 -4.538 -0.086
100 HG23 ILE 13 3HG2 ILE 13 3.169 -4.554 1.649
101 HD11 ILE 13 1HD1 ILE 13 -0.669 -5.338 -0.304
102 HD12 ILE 13 2HD1 ILE 13 0.992 -5.033 -0.812
103 HD13 ILE 13 3HD1 ILE 13 -0.207 -3.743 -0.899
104 H ALA 14 H ALA 14 1.889 -0.335 0.954
105 HA ALA 14 HA ALA 14 4.656 0.162 1.039
106 HB1 ALA 14 1HB ALA 14 3.987 2.496 0.328
107 HB2 ALA 14 2HB ALA 14 2.307 1.988 0.507
108 HB3 ALA 14 3HB ALA 14 3.346 1.197 -0.678
109 H GLY 15 H GLY 15 2.159 0.765 3.335
110 HA2 GLY 15 2HA GLY 15 3.160 2.960 4.746
111 HA3 GLY 15 1HA GLY 15 2.186 1.673 5.447
112 H HIS 16 H HIS 16 3.688 -0.514 5.425
113 HA HIS 16 HA HIS 16 5.630 -0.014 7.456
114 HB2 HIS 16 2HB HIS 16 5.962 -2.394 7.483
115 HB3 HIS 16 1HB HIS 16 4.239 -2.101 7.256
116 HD2 HIS 16 2HD HIS 16 3.230 -3.499 5.105
117 HE1 HIS 16 1HE HIS 16 6.836 -4.023 2.973
118 HE2 HIS 16 2HE HIS 16 4.353 -4.556 2.999
119 H LEU 17 H LEU 17 5.756 -0.060 4.034
120 HA LEU 17 HA LEU 17 8.500 -0.819 3.745
121 HB2 LEU 17 2HB LEU 17 6.570 -0.798 1.974
122 HB3 LEU 17 1HB LEU 17 7.020 0.899 1.769
123 HG LEU 17 HG LEU 17 8.195 -0.516 0.147
124 HD11 LEU 17 1HD1 LEU 17 10.295 0.486 0.428
125 HD12 LEU 17 2HD1 LEU 17 10.228 0.358 2.185
126 HD13 LEU 17 3HD1 LEU 17 9.220 1.539 1.347
127 HD21 LEU 17 1HD2 LEU 17 9.373 -2.409 0.685
128 HD22 LEU 17 2HD2 LEU 17 8.285 -2.430 2.071
129 HD23 LEU 17 3HD2 LEU 17 9.911 -1.766 2.236
130 H ALA 18 H ALA 18 6.902 2.333 3.220
131 HA ALA 18 HA ALA 18 9.220 3.878 3.114
132 HB1 ALA 18 1HB ALA 18 6.409 4.558 3.983
133 HB2 ALA 18 2HB ALA 18 7.168 4.871 2.422
134 HB3 ALA 18 3HB ALA 18 7.685 5.768 3.850
135 H SER 19 H SER 19 7.877 2.229 5.757
136 HA SER 19 HA SER 19 8.460 3.876 7.934
137 HB2 SER 19 2HB SER 19 8.299 1.947 9.269
138 HB3 SER 19 1HB SER 19 7.290 1.575 7.873
139 HG SER 19 HG SER 19 9.964 0.764 8.375
140 H LYS 20 H LYS 20 10.561 1.738 6.062
141 HA LYS 20 HA LYS 20 12.831 2.227 7.765
142 HB2 LYS 20 2HB LYS 20 13.504 0.285 6.878
143 HB3 LYS 20 1HB LYS 20 12.105 0.298 5.813
144 HG2 LYS 20 2HG LYS 20 13.895 0.214 4.305
145 HG3 LYS 20 1HG LYS 20 13.515 1.930 4.362
146 HD2 LYS 20 2HD LYS 20 15.776 2.113 4.741
147 HD3 LYS 20 1HD LYS 20 15.284 1.812 6.407
148 HE2 LYS 20 2HE LYS 20 17.030 0.259 6.018
149 HE3 LYS 20 1HE LYS 20 15.554 -0.690 5.849
150 HZ1 LYS 20 1HZ LYS 20 17.512 0.048 3.857
151 HZ2 LYS 20 2HZ LYS 20 15.899 0.241 3.359
152 HZ3 LYS 20 3HZ LYS 20 16.450 -1.273 3.898
153 H VAL 21 H VAL 21 11.484 3.502 4.847
154 HA VAL 21 HA VAL 21 13.869 4.971 4.111
155 HB VAL 21 HB VAL 21 11.122 5.421 3.019
156 HG11 VAL 21 1HG1 VAL 21 13.911 5.636 1.861
157 HG12 VAL 21 2HG1 VAL 21 12.877 6.986 2.329
158 HG13 VAL 21 3HG1 VAL 21 12.421 5.954 0.974
159 HG21 VAL 21 1HG2 VAL 21 13.091 3.215 2.378
160 HG22 VAL 21 2HG2 VAL 21 11.763 3.667 1.309
161 HG23 VAL 21 3HG2 VAL 21 11.422 3.030 2.918
162 H MET 22 H MET 22 11.235 5.417 6.219
163 HA MET 22 HA MET 22 11.848 8.309 6.430
164 HB2 MET 22 2HB MET 22 9.574 7.884 5.527
165 HB3 MET 22 1HB MET 22 9.195 6.958 6.988
166 HG2 MET 22 2HG MET 22 9.479 8.898 8.386
167 HG3 MET 22 1HG MET 22 10.138 9.839 7.039
168 HE1 MET 22 1HE MET 22 8.557 11.836 7.007
169 HE2 MET 22 2HE MET 22 8.141 11.192 8.593
170 HE3 MET 22 3HE MET 22 6.862 11.710 7.497
171 HN1 NH2 23 HN1 NH2 23 11.126 5.306 8.197
172 HN2 NH2 23 HN2 NH2 23 11.599 5.898 9.716
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -15.199 0.855 -5.715
2 H2 GLY 1 2HT GLY 1 -14.217 -0.209 -4.825
3 H3 GLY 1 3HT GLY 1 -15.829 -0.621 -5.168
4 HA2 GLY 1 2HA GLY 1 -15.404 -1.222 -7.299
5 HA3 GLY 1 1HA GLY 1 -14.068 -0.067 -7.435
6 H VAL 2 H VAL 2 -14.486 -3.160 -7.720
7 HA VAL 2 HA VAL 2 -12.954 -4.536 -5.854
8 HB VAL 2 HB VAL 2 -13.404 -4.947 -8.807
9 HG11 VAL 2 1HG1 VAL 2 -11.672 -6.519 -6.899
10 HG12 VAL 2 2HG1 VAL 2 -11.287 -5.967 -8.529
11 HG13 VAL 2 3HG1 VAL 2 -12.431 -7.287 -8.292
12 HG21 VAL 2 1HG2 VAL 2 -14.828 -6.747 -8.041
13 HG22 VAL 2 2HG2 VAL 2 -15.244 -5.307 -7.111
14 HG23 VAL 2 3HG2 VAL 2 -14.246 -6.568 -6.385
15 H VAL 3 H VAL 3 -11.799 -3.337 -9.009
16 HA VAL 3 HA VAL 3 -9.094 -3.808 -8.650
17 HB VAL 3 HB VAL 3 -10.421 -1.532 -10.141
18 HG11 VAL 3 1HG1 VAL 3 -8.122 -0.954 -9.907
19 HG12 VAL 3 2HG1 VAL 3 -8.246 -1.710 -11.495
20 HG13 VAL 3 3HG1 VAL 3 -7.601 -2.623 -10.131
21 HG21 VAL 3 1HG2 VAL 3 -9.528 -4.313 -10.964
22 HG22 VAL 3 2HG2 VAL 3 -10.046 -3.063 -12.095
23 HG23 VAL 3 3HG2 VAL 3 -11.184 -3.711 -10.914
24 H ASP 4 H ASP 4 -11.059 -1.118 -7.506
25 HA ASP 4 HA ASP 4 -8.887 0.516 -6.644
26 HB2 ASP 4 2HB ASP 4 -11.135 1.425 -7.050
27 HB3 ASP 4 1HB ASP 4 -11.764 0.473 -5.707
28 H ILE 5 H ILE 5 -10.983 -1.832 -4.993
29 HA ILE 5 HA ILE 5 -10.130 -1.483 -2.381
30 HB ILE 5 HB ILE 5 -11.027 -3.940 -3.884
31 HG12 ILE 5 2HG1 ILE 5 -12.323 -2.378 -1.633
32 HG13 ILE 5 1HG1 ILE 5 -12.602 -2.022 -3.337
33 HG21 ILE 5 1HG2 ILE 5 -9.670 -4.883 -2.173
34 HG22 ILE 5 2HG2 ILE 5 -11.303 -4.902 -1.509
35 HG23 ILE 5 3HG2 ILE 5 -10.159 -3.659 -1.002
36 HD11 ILE 5 1HD1 ILE 5 -13.676 -4.081 -3.718
37 HD12 ILE 5 2HD1 ILE 5 -14.265 -3.614 -2.125
38 HD13 ILE 5 3HD1 ILE 5 -12.985 -4.817 -2.273
39 H LEU 6 H LEU 6 -8.509 -3.095 -5.046
40 HA LEU 6 HA LEU 6 -6.534 -4.452 -3.542
41 HB2 LEU 6 2HB LEU 6 -5.998 -3.345 -6.287
42 HB3 LEU 6 1HB LEU 6 -5.474 -4.878 -5.582
43 HG LEU 6 HG LEU 6 -8.261 -4.126 -6.496
44 HD11 LEU 6 1HD1 LEU 6 -6.314 -6.316 -7.280
45 HD12 LEU 6 2HD1 LEU 6 -6.750 -4.913 -8.254
46 HD13 LEU 6 3HD1 LEU 6 -7.954 -6.155 -7.907
47 HD21 LEU 6 1HD2 LEU 6 -8.691 -6.590 -5.745
48 HD22 LEU 6 2HD2 LEU 6 -8.701 -5.326 -4.517
49 HD23 LEU 6 3HD2 LEU 6 -7.280 -6.352 -4.714
50 H LYS 7 H LYS 7 -6.512 -1.308 -5.181
51 HA LYS 7 HA LYS 7 -3.936 -0.487 -4.598
52 HB2 LYS 7 2HB LYS 7 -6.216 1.452 -4.434
53 HB3 LYS 7 1HB LYS 7 -4.635 1.679 -5.139
54 HG2 LYS 7 2HG LYS 7 -6.576 -0.310 -6.310
55 HG3 LYS 7 1HG LYS 7 -6.664 1.395 -6.732
56 HD2 LYS 7 2HD LYS 7 -4.740 1.336 -7.955
57 HD3 LYS 7 1HD LYS 7 -3.961 0.222 -6.838
58 HE2 LYS 7 2HE LYS 7 -5.296 -1.643 -7.755
59 HE3 LYS 7 1HE LYS 7 -6.072 -0.526 -8.878
60 HZ1 LYS 7 1HZ LYS 7 -3.142 -0.663 -8.810
61 HZ2 LYS 7 2HZ LYS 7 -4.176 -0.285 -10.103
62 HZ3 LYS 7 3HZ LYS 7 -3.995 -1.898 -9.599
63 H GLY 8 H GLY 8 -6.877 0.169 -2.707
64 HA2 GLY 8 2HA GLY 8 -5.768 1.519 -0.570
65 HA3 GLY 8 1HA GLY 8 -7.181 0.468 -0.436
66 H ALA 9 H ALA 9 -5.510 -1.838 -1.379
67 HA ALA 9 HA ALA 9 -4.679 -2.743 1.218
68 HB1 ALA 9 1HB ALA 9 -5.665 -4.114 -0.771
69 HB2 ALA 9 2HB ALA 9 -4.416 -4.844 0.237
70 HB3 ALA 9 3HB ALA 9 -3.995 -4.168 -1.337
71 H ALA 10 H ALA 10 -3.091 -1.470 -1.635
72 HA ALA 10 HA ALA 10 -0.439 -2.247 -0.942
73 HB1 ALA 10 1HB ALA 10 -1.172 -1.540 -3.232
74 HB2 ALA 10 2HB ALA 10 0.271 -0.703 -2.659
75 HB3 ALA 10 3HB ALA 10 -1.293 0.113 -2.632
76 H LYS 11 H LYS 11 -2.482 0.482 -0.122
77 HA LYS 11 HA LYS 11 -0.572 2.262 0.856
78 HB2 LYS 11 2HB LYS 11 -3.128 2.531 0.543
79 HB3 LYS 11 1HB LYS 11 -3.197 1.925 2.187
80 HG2 LYS 11 2HG LYS 11 -1.707 3.713 2.955
81 HG3 LYS 11 1HG LYS 11 -1.579 4.320 1.298
82 HD2 LYS 11 2HD LYS 11 -4.030 4.710 1.272
83 HD3 LYS 11 1HD LYS 11 -4.123 4.160 2.946
84 HE2 LYS 11 2HE LYS 11 -4.008 6.666 2.697
85 HE3 LYS 11 1HE LYS 11 -2.723 5.984 3.693
86 HZ1 LYS 11 1HZ LYS 11 -1.969 7.633 2.012
87 HZ2 LYS 11 2HZ LYS 11 -2.431 6.542 0.795
88 HZ3 LYS 11 3HZ LYS 11 -1.206 6.125 1.896
89 H ASP 12 H ASP 12 -2.140 -0.485 2.414
90 HA ASP 12 HA ASP 12 -1.030 -0.001 5.003
91 HB2 ASP 12 2HB ASP 12 -3.077 -1.430 4.414
92 HB3 ASP 12 1HB ASP 12 -1.921 -2.687 3.955
93 H ILE 13 H ILE 13 -0.160 -2.165 2.317
94 HA ILE 13 HA ILE 13 2.073 -3.355 3.600
95 HB ILE 13 HB ILE 13 1.627 -2.977 0.630
96 HG12 ILE 13 2HG1 ILE 13 0.801 -5.333 2.345
97 HG13 ILE 13 1HG1 ILE 13 -0.308 -4.019 1.932
98 HG21 ILE 13 1HG2 ILE 13 3.018 -4.974 0.429
99 HG22 ILE 13 2HG2 ILE 13 3.143 -5.095 2.184
100 HG23 ILE 13 3HG2 ILE 13 3.895 -3.743 1.337
101 HD11 ILE 13 1HD1 ILE 13 -0.322 -6.085 0.392
102 HD12 ILE 13 2HD1 ILE 13 1.239 -5.509 -0.191
103 HD13 ILE 13 3HD1 ILE 13 -0.199 -4.508 -0.385
104 H ALA 14 H ALA 14 1.886 -0.780 1.139
105 HA ALA 14 HA ALA 14 4.617 -0.162 1.062
106 HB1 ALA 14 1HB ALA 14 3.990 1.854 -0.045
107 HB2 ALA 14 2HB ALA 14 2.391 1.847 0.700
108 HB3 ALA 14 3HB ALA 14 2.800 0.642 -0.522
109 H GLY 15 H GLY 15 2.231 0.505 3.457
110 HA2 GLY 15 2HA GLY 15 3.214 2.827 4.660
111 HA3 GLY 15 1HA GLY 15 2.347 1.548 5.504
112 H HIS 16 H HIS 16 3.865 -0.539 5.687
113 HA HIS 16 HA HIS 16 5.940 0.186 7.485
114 HB2 HIS 16 2HB HIS 16 6.400 -2.197 7.622
115 HB3 HIS 16 1HB HIS 16 4.656 -1.939 7.622
116 HD2 HIS 16 2HD HIS 16 3.396 -3.530 5.762
117 HE1 HIS 16 1HE HIS 16 6.652 -4.101 3.135
118 HE2 HIS 16 2HE HIS 16 4.225 -4.702 3.581
119 H LEU 17 H LEU 17 5.856 -0.111 4.081
120 HA LEU 17 HA LEU 17 8.605 -0.822 3.687
121 HB2 LEU 17 2HB LEU 17 6.550 -1.003 2.049
122 HB3 LEU 17 1HB LEU 17 6.980 0.664 1.645
123 HG LEU 17 HG LEU 17 8.079 -0.895 0.113
124 HD11 LEU 17 1HD1 LEU 17 10.194 0.154 1.982
125 HD12 LEU 17 2HD1 LEU 17 9.169 1.249 1.052
126 HD13 LEU 17 3HD1 LEU 17 10.211 0.094 0.221
127 HD21 LEU 17 1HD2 LEU 17 9.900 -1.972 2.203
128 HD22 LEU 17 2HD2 LEU 17 9.243 -2.755 0.767
129 HD23 LEU 17 3HD2 LEU 17 8.257 -2.615 2.221
130 H ALA 18 H ALA 18 6.850 2.215 3.001
131 HA ALA 18 HA ALA 18 9.145 3.800 2.663
132 HB1 ALA 18 1HB ALA 18 7.650 5.709 2.886
133 HB2 ALA 18 2HB ALA 18 6.414 4.687 3.620
134 HB3 ALA 18 3HB ALA 18 6.862 4.453 1.931
135 H SER 19 H SER 19 7.726 2.497 5.480
136 HA SER 19 HA SER 19 8.365 4.425 7.416
137 HB2 SER 19 2HB SER 19 8.059 2.712 9.017
138 HB3 SER 19 1HB SER 19 6.999 2.271 7.682
139 HG SER 19 HG SER 19 9.667 1.349 7.857
140 H LYS 20 H LYS 20 10.343 2.064 5.751
141 HA LYS 20 HA LYS 20 12.591 2.317 7.500
142 HB2 LYS 20 2HB LYS 20 13.192 0.439 6.432
143 HB3 LYS 20 1HB LYS 20 11.807 0.629 5.365
144 HG2 LYS 20 2HG LYS 20 13.570 0.606 3.842
145 HG3 LYS 20 1HG LYS 20 13.345 2.329 4.105
146 HD2 LYS 20 2HD LYS 20 15.638 2.185 4.425
147 HD3 LYS 20 1HD LYS 20 15.089 1.909 6.077
148 HE2 LYS 20 2HE LYS 20 15.185 -0.533 5.697
149 HE3 LYS 20 1HE LYS 20 15.755 -0.249 4.052
150 HZ1 LYS 20 1HZ LYS 20 17.798 0.302 4.760
151 HZ2 LYS 20 2HZ LYS 20 17.369 -0.585 6.144
152 HZ3 LYS 20 3HZ LYS 20 17.235 1.109 6.142
153 H VAL 21 H VAL 21 11.392 3.951 4.709
154 HA VAL 21 HA VAL 21 13.873 5.399 4.240
155 HB VAL 21 HB VAL 21 11.171 5.527 2.946
156 HG11 VAL 21 1HG1 VAL 21 13.682 7.130 2.481
157 HG12 VAL 21 2HG1 VAL 21 12.043 7.729 2.739
158 HG13 VAL 21 3HG1 VAL 21 12.461 6.925 1.225
159 HG21 VAL 21 1HG2 VAL 21 12.509 4.636 0.997
160 HG22 VAL 21 2HG2 VAL 21 12.377 3.523 2.357
161 HG23 VAL 21 3HG2 VAL 21 13.866 4.437 2.106
162 H MET 22 H MET 22 11.015 5.720 6.078
163 HA MET 22 HA MET 22 11.180 8.629 6.276
164 HB2 MET 22 2HB MET 22 8.992 7.320 6.220
165 HB3 MET 22 1HB MET 22 9.382 6.794 7.863
166 HG2 MET 22 2HG MET 22 8.030 8.738 8.134
167 HG3 MET 22 1HG MET 22 9.690 9.281 8.419
168 HE1 MET 22 1HE MET 22 7.057 8.589 5.771
169 HE2 MET 22 2HE MET 22 6.920 10.110 4.893
170 HE3 MET 22 3HE MET 22 6.457 10.037 6.591
171 HN1 NH2 23 HN1 NH2 23 10.911 6.158 8.888
172 HN2 NH2 23 HN2 NH2 23 12.085 6.879 9.880
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -15.129 -3.842 -4.879
2 H2 GLY 1 2HT GLY 1 -16.130 -3.859 -6.252
3 H3 GLY 1 3HT GLY 1 -16.163 -2.534 -5.188
4 HA2 GLY 1 2HA GLY 1 -14.772 -2.565 -7.460
5 HA3 GLY 1 1HA GLY 1 -14.332 -1.589 -6.050
6 H VAL 2 H VAL 2 -13.838 -4.766 -7.561
7 HA VAL 2 HA VAL 2 -11.821 -5.771 -5.944
8 HB VAL 2 HB VAL 2 -12.384 -6.051 -8.892
9 HG11 VAL 2 1HG1 VAL 2 -10.728 -8.024 -8.700
10 HG12 VAL 2 2HG1 VAL 2 -10.105 -7.192 -7.275
11 HG13 VAL 2 3HG1 VAL 2 -10.044 -6.405 -8.852
12 HG21 VAL 2 1HG2 VAL 2 -13.179 -8.228 -8.251
13 HG22 VAL 2 2HG2 VAL 2 -13.859 -7.084 -7.094
14 HG23 VAL 2 3HG2 VAL 2 -12.474 -8.077 -6.641
15 H VAL 3 H VAL 3 -11.317 -4.019 -9.016
16 HA VAL 3 HA VAL 3 -8.567 -3.700 -8.834
17 HB VAL 3 HB VAL 3 -10.609 -1.811 -10.030
18 HG11 VAL 3 1HG1 VAL 3 -7.596 -1.979 -10.235
19 HG12 VAL 3 2HG1 VAL 3 -8.581 -0.578 -9.816
20 HG13 VAL 3 3HG1 VAL 3 -8.577 -1.189 -11.470
21 HG21 VAL 3 1HG2 VAL 3 -10.526 -4.220 -10.850
22 HG22 VAL 3 2HG2 VAL 3 -8.872 -3.901 -11.372
23 HG23 VAL 3 3HG2 VAL 3 -10.210 -2.999 -12.084
24 H ASP 4 H ASP 4 -11.142 -1.826 -7.332
25 HA ASP 4 HA ASP 4 -9.489 0.307 -6.409
26 HB2 ASP 4 2HB ASP 4 -11.965 0.452 -6.630
27 HB3 ASP 4 1HB ASP 4 -12.122 -0.661 -5.272
28 H ILE 5 H ILE 5 -10.659 -2.701 -4.918
29 HA ILE 5 HA ILE 5 -9.755 -2.337 -2.325
30 HB ILE 5 HB ILE 5 -9.958 -4.815 -4.035
31 HG12 ILE 5 2HG1 ILE 5 -11.543 -3.880 -1.624
32 HG13 ILE 5 1HG1 ILE 5 -12.020 -3.558 -3.290
33 HG21 ILE 5 1HG2 ILE 5 -9.065 -4.512 -1.163
34 HG22 ILE 5 2HG2 ILE 5 -8.281 -5.418 -2.458
35 HG23 ILE 5 3HG2 ILE 5 -9.789 -6.006 -1.759
36 HD11 ILE 5 1HD1 ILE 5 -11.830 -6.112 -3.639
37 HD12 ILE 5 2HD1 ILE 5 -13.213 -5.521 -2.718
38 HD13 ILE 5 3HD1 ILE 5 -11.828 -6.218 -1.879
39 H LEU 6 H LEU 6 -7.937 -3.149 -5.218
40 HA LEU 6 HA LEU 6 -5.536 -3.951 -3.953
41 HB2 LEU 6 2HB LEU 6 -5.567 -2.531 -6.602
42 HB3 LEU 6 1HB LEU 6 -4.564 -3.886 -6.077
43 HG LEU 6 HG LEU 6 -7.509 -3.932 -6.774
44 HD11 LEU 6 1HD1 LEU 6 -6.780 -5.582 -8.436
45 HD12 LEU 6 2HD1 LEU 6 -5.121 -5.466 -7.847
46 HD13 LEU 6 3HD1 LEU 6 -5.875 -4.082 -8.640
47 HD21 LEU 6 1HD2 LEU 6 -7.125 -6.468 -6.246
48 HD22 LEU 6 2HD2 LEU 6 -7.443 -5.363 -4.911
49 HD23 LEU 6 3HD2 LEU 6 -5.793 -5.884 -5.250
50 H LYS 7 H LYS 7 -6.632 -0.831 -5.224
51 HA LYS 7 HA LYS 7 -4.338 0.662 -4.641
52 HB2 LYS 7 2HB LYS 7 -7.062 1.876 -4.384
53 HB3 LYS 7 1HB LYS 7 -5.621 2.548 -5.105
54 HG2 LYS 7 2HG LYS 7 -6.990 0.153 -6.326
55 HG3 LYS 7 1HG LYS 7 -7.536 1.789 -6.678
56 HD2 LYS 7 2HD LYS 7 -5.692 2.286 -7.926
57 HD3 LYS 7 1HD LYS 7 -4.622 1.374 -6.869
58 HE2 LYS 7 2HE LYS 7 -5.137 -0.682 -7.916
59 HE3 LYS 7 1HE LYS 7 -6.588 -0.026 -8.675
60 HZ1 LYS 7 1HZ LYS 7 -5.415 0.761 -10.378
61 HZ2 LYS 7 2HZ LYS 7 -4.150 -0.239 -9.843
62 HZ3 LYS 7 3HZ LYS 7 -4.199 1.396 -9.381
63 H GLY 8 H GLY 8 -7.341 0.333 -2.752
64 HA2 GLY 8 2HA GLY 8 -6.643 1.821 -0.529
65 HA3 GLY 8 1HA GLY 8 -7.713 0.418 -0.475
66 H ALA 9 H ALA 9 -5.523 -1.313 -1.507
67 HA ALA 9 HA ALA 9 -4.429 -2.069 1.042
68 HB1 ALA 9 1HB ALA 9 -3.544 -3.150 -1.628
69 HB2 ALA 9 2HB ALA 9 -5.079 -3.623 -0.901
70 HB3 ALA 9 3HB ALA 9 -3.564 -3.967 -0.065
71 H ALA 10 H ALA 10 -3.249 -0.431 -1.842
72 HA ALA 10 HA ALA 10 -0.498 -0.501 -1.332
73 HB1 ALA 10 1HB ALA 10 -0.351 1.470 -2.772
74 HB2 ALA 10 2HB ALA 10 -2.085 1.741 -2.605
75 HB3 ALA 10 3HB ALA 10 -1.494 0.309 -3.447
76 H LYS 11 H LYS 11 -3.040 1.504 0.015
77 HA LYS 11 HA LYS 11 -1.401 3.460 1.222
78 HB2 LYS 11 2HB LYS 11 -3.983 3.381 0.844
79 HB3 LYS 11 1HB LYS 11 -3.969 2.622 2.426
80 HG2 LYS 11 2HG LYS 11 -2.714 4.533 3.353
81 HG3 LYS 11 1HG LYS 11 -2.749 5.309 1.762
82 HD2 LYS 11 2HD LYS 11 -5.200 5.370 1.823
83 HD3 LYS 11 1HD LYS 11 -5.199 4.541 3.380
84 HE2 LYS 11 2HE LYS 11 -3.756 7.162 2.949
85 HE3 LYS 11 1HE LYS 11 -5.441 7.088 3.464
86 HZ1 LYS 11 1HZ LYS 11 -3.042 6.538 4.952
87 HZ2 LYS 11 2HZ LYS 11 -4.229 5.334 5.120
88 HZ3 LYS 11 3HZ LYS 11 -4.591 6.949 5.507
89 H ASP 12 H ASP 12 -2.679 0.372 2.368
90 HA ASP 12 HA ASP 12 -1.581 0.652 5.009
91 HB2 ASP 12 2HB ASP 12 -3.586 -0.751 4.429
92 HB3 ASP 12 1HB ASP 12 -2.487 -1.883 3.628
93 H ILE 13 H ILE 13 -0.746 -1.350 2.176
94 HA ILE 13 HA ILE 13 1.520 -2.596 3.228
95 HB ILE 13 HB ILE 13 1.036 -1.734 0.365
96 HG12 ILE 13 2HG1 ILE 13 0.487 -4.447 1.584
97 HG13 ILE 13 1HG1 ILE 13 -0.739 -3.174 1.588
98 HG21 ILE 13 1HG2 ILE 13 2.878 -3.777 1.634
99 HG22 ILE 13 2HG2 ILE 13 3.338 -2.383 0.657
100 HG23 ILE 13 3HG2 ILE 13 2.504 -3.746 -0.089
101 HD11 ILE 13 1HD1 ILE 13 0.690 -4.098 -0.918
102 HD12 ILE 13 2HD1 ILE 13 -0.719 -3.041 -0.816
103 HD13 ILE 13 3HD1 ILE 13 -0.863 -4.746 -0.391
104 H ALA 14 H ALA 14 1.354 0.359 1.232
105 HA ALA 14 HA ALA 14 4.036 1.027 1.191
106 HB1 ALA 14 1HB ALA 14 1.621 2.841 1.350
107 HB2 ALA 14 2HB ALA 14 2.435 2.280 -0.110
108 HB3 ALA 14 3HB ALA 14 3.254 3.399 0.981
109 H GLY 15 H GLY 15 1.848 1.060 3.851
110 HA2 GLY 15 2HA GLY 15 2.948 3.001 5.527
111 HA3 GLY 15 1HA GLY 15 2.137 1.540 6.082
112 H HIS 16 H HIS 16 3.642 -0.512 5.621
113 HA HIS 16 HA HIS 16 5.888 -0.194 7.348
114 HB2 HIS 16 2HB HIS 16 6.187 -2.531 7.139
115 HB3 HIS 16 1HB HIS 16 4.446 -2.286 7.019
116 HD2 HIS 16 2HD HIS 16 3.329 -3.198 4.635
117 HE1 HIS 16 1HE HIS 16 6.943 -3.920 2.574
118 HE2 HIS 16 2HE HIS 16 4.418 -4.172 2.471
119 H LEU 17 H LEU 17 5.456 0.103 3.950
120 HA LEU 17 HA LEU 17 8.114 -0.516 3.132
121 HB2 LEU 17 2HB LEU 17 5.898 -0.277 1.731
122 HB3 LEU 17 1HB LEU 17 6.363 1.427 1.654
123 HG LEU 17 HG LEU 17 7.220 0.218 -0.293
124 HD11 LEU 17 1HD1 LEU 17 8.502 2.076 0.965
125 HD12 LEU 17 2HD1 LEU 17 9.392 1.115 -0.216
126 HD13 LEU 17 3HD1 LEU 17 9.568 0.779 1.505
127 HD21 LEU 17 1HD2 LEU 17 7.535 -1.930 1.354
128 HD22 LEU 17 2HD2 LEU 17 9.194 -1.334 1.300
129 HD23 LEU 17 3HD2 LEU 17 8.362 -1.764 -0.193
130 H ALA 18 H ALA 18 6.449 2.640 3.342
131 HA ALA 18 HA ALA 18 8.697 4.254 3.037
132 HB1 ALA 18 1HB ALA 18 6.502 5.229 2.928
133 HB2 ALA 18 2HB ALA 18 7.347 5.982 4.281
134 HB3 ALA 18 3HB ALA 18 6.140 4.730 4.580
135 H SER 19 H SER 19 7.847 2.224 5.637
136 HA SER 19 HA SER 19 8.995 3.608 7.812
137 HB2 SER 19 2HB SER 19 8.710 1.642 9.014
138 HB3 SER 19 1HB SER 19 7.529 1.433 7.725
139 HG SER 19 HG SER 19 10.203 0.471 7.694
140 H LYS 20 H LYS 20 10.361 1.451 5.376
141 HA LYS 20 HA LYS 20 12.924 1.267 6.599
142 HB2 LYS 20 2HB LYS 20 13.137 -0.385 5.098
143 HB3 LYS 20 1HB LYS 20 11.582 0.073 4.416
144 HG2 LYS 20 2HG LYS 20 12.992 0.260 2.567
145 HG3 LYS 20 1HG LYS 20 12.956 1.910 3.172
146 HD2 LYS 20 2HD LYS 20 15.248 1.638 2.972
147 HD3 LYS 20 1HD LYS 20 15.032 1.044 4.618
148 HE2 LYS 20 2HE LYS 20 16.329 -0.629 3.555
149 HE3 LYS 20 1HE LYS 20 14.689 -1.275 3.546
150 HZ1 LYS 20 1HZ LYS 20 14.420 -0.785 1.310
151 HZ2 LYS 20 2HZ LYS 20 16.023 -1.343 1.386
152 HZ3 LYS 20 3HZ LYS 20 15.704 0.323 1.283
153 H VAL 21 H VAL 21 11.392 3.477 4.422
154 HA VAL 21 HA VAL 21 13.716 4.765 3.434
155 HB VAL 21 HB VAL 21 10.926 5.819 3.767
156 HG11 VAL 21 1HG1 VAL 21 13.341 6.836 2.267
157 HG12 VAL 21 2HG1 VAL 21 12.383 7.691 3.475
158 HG13 VAL 21 3HG1 VAL 21 11.701 7.357 1.884
159 HG21 VAL 21 1HG2 VAL 21 11.185 3.764 2.349
160 HG22 VAL 21 2HG2 VAL 21 12.308 4.668 1.333
161 HG23 VAL 21 3HG2 VAL 21 10.622 5.171 1.447
162 H MET 22 H MET 22 12.189 4.786 6.475
163 HA MET 22 HA MET 22 13.776 7.149 7.298
164 HB2 MET 22 2HB MET 22 11.288 7.537 7.286
165 HB3 MET 22 1HB MET 22 11.147 6.269 8.511
166 HG2 MET 22 2HG MET 22 11.244 8.385 9.669
167 HG3 MET 22 1HG MET 22 12.794 7.571 9.920
168 HE1 MET 22 1HE MET 22 11.861 11.431 7.739
169 HE2 MET 22 2HE MET 22 11.035 10.648 9.084
170 HE3 MET 22 3HE MET 22 10.891 9.977 7.462
171 HN1 NH2 23 HN1 NH2 23 12.119 4.296 8.777
172 HN2 NH2 23 HN2 NH2 23 13.403 3.925 9.823
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -16.473 -1.262 -4.309
2 H2 GLY 1 2HT GLY 1 -15.834 -2.835 -4.370
3 H3 GLY 1 3HT GLY 1 -16.903 -2.302 -5.578
4 HA2 GLY 1 2HA GLY 1 -15.279 -1.414 -6.775
5 HA3 GLY 1 1HA GLY 1 -14.662 -0.559 -5.353
6 H VAL 2 H VAL 2 -14.806 -3.817 -6.797
7 HA VAL 2 HA VAL 2 -12.862 -5.081 -5.272
8 HB VAL 2 HB VAL 2 -13.702 -5.400 -8.150
9 HG11 VAL 2 1HG1 VAL 2 -12.411 -7.626 -7.944
10 HG12 VAL 2 2HG1 VAL 2 -11.544 -6.852 -6.618
11 HG13 VAL 2 3HG1 VAL 2 -11.464 -6.169 -8.242
12 HG21 VAL 2 1HG2 VAL 2 -14.818 -7.359 -7.318
13 HG22 VAL 2 2HG2 VAL 2 -15.194 -6.053 -6.195
14 HG23 VAL 2 3HG2 VAL 2 -13.977 -7.258 -5.773
15 H VAL 3 H VAL 3 -12.329 -3.602 -8.478
16 HA VAL 3 HA VAL 3 -9.562 -3.758 -8.529
17 HB VAL 3 HB VAL 3 -11.354 -1.608 -9.680
18 HG11 VAL 3 1HG1 VAL 3 -9.379 -1.417 -11.312
19 HG12 VAL 3 2HG1 VAL 3 -8.439 -2.289 -10.100
20 HG13 VAL 3 3HG1 VAL 3 -9.147 -0.721 -9.708
21 HG21 VAL 3 1HG2 VAL 3 -11.061 -2.974 -11.761
22 HG22 VAL 3 2HG2 VAL 3 -11.915 -3.841 -10.484
23 HG23 VAL 3 3HG2 VAL 3 -10.215 -4.187 -10.801
24 H ASP 4 H ASP 4 -11.639 -1.402 -6.946
25 HA ASP 4 HA ASP 4 -9.580 0.457 -6.288
26 HB2 ASP 4 2HB ASP 4 -12.099 0.871 -6.314
27 HB3 ASP 4 1HB ASP 4 -12.144 0.054 -4.753
28 H ILE 5 H ILE 5 -11.113 -2.219 -4.518
29 HA ILE 5 HA ILE 5 -9.916 -1.893 -2.041
30 HB ILE 5 HB ILE 5 -10.750 -4.370 -3.549
31 HG12 ILE 5 2HG1 ILE 5 -11.867 -3.052 -1.056
32 HG13 ILE 5 1HG1 ILE 5 -12.434 -2.681 -2.685
33 HG21 ILE 5 1HG2 ILE 5 -9.507 -4.107 -0.806
34 HG22 ILE 5 2HG2 ILE 5 -9.064 -5.217 -2.103
35 HG23 ILE 5 3HG2 ILE 5 -10.570 -5.453 -1.216
36 HD11 ILE 5 1HD1 ILE 5 -13.273 -4.870 -3.015
37 HD12 ILE 5 2HD1 ILE 5 -13.737 -4.474 -1.361
38 HD13 ILE 5 3HD1 ILE 5 -12.349 -5.520 -1.662
39 H LEU 6 H LEU 6 -8.560 -3.249 -4.998
40 HA LEU 6 HA LEU 6 -6.249 -4.422 -3.897
41 HB2 LEU 6 2HB LEU 6 -6.242 -3.069 -6.585
42 HB3 LEU 6 1HB LEU 6 -5.438 -4.562 -6.091
43 HG LEU 6 HG LEU 6 -8.394 -4.124 -6.560
44 HD11 LEU 6 1HD1 LEU 6 -6.948 -4.611 -8.528
45 HD12 LEU 6 2HD1 LEU 6 -8.094 -5.913 -8.204
46 HD13 LEU 6 3HD1 LEU 6 -6.403 -6.088 -7.734
47 HD21 LEU 6 1HD2 LEU 6 -6.918 -6.311 -5.102
48 HD22 LEU 6 2HD2 LEU 6 -8.427 -6.660 -5.946
49 HD23 LEU 6 3HD2 LEU 6 -8.403 -5.483 -4.635
50 H LYS 7 H LYS 7 -6.801 -1.190 -5.239
51 HA LYS 7 HA LYS 7 -4.269 -0.108 -4.930
52 HB2 LYS 7 2HB LYS 7 -6.680 1.548 -4.289
53 HB3 LYS 7 1HB LYS 7 -5.266 1.980 -5.218
54 HG2 LYS 7 2HG LYS 7 -7.193 -0.124 -6.202
55 HG3 LYS 7 1HG LYS 7 -7.479 1.587 -6.495
56 HD2 LYS 7 2HD LYS 7 -5.790 1.750 -8.014
57 HD3 LYS 7 1HD LYS 7 -4.742 0.682 -7.091
58 HE2 LYS 7 2HE LYS 7 -5.738 -1.269 -7.991
59 HE3 LYS 7 1HE LYS 7 -7.144 -0.379 -8.572
60 HZ1 LYS 7 1HZ LYS 7 -4.773 -0.929 -9.936
61 HZ2 LYS 7 2HZ LYS 7 -4.835 0.751 -9.688
62 HZ3 LYS 7 3HZ LYS 7 -6.110 -0.040 -10.482
63 H GLY 8 H GLY 8 -6.944 -0.177 -2.606
64 HA2 GLY 8 2HA GLY 8 -5.833 1.235 -0.509
65 HA3 GLY 8 1HA GLY 8 -6.941 -0.123 -0.297
66 H ALA 9 H ALA 9 -4.980 -1.899 -1.709
67 HA ALA 9 HA ALA 9 -3.564 -2.779 0.633
68 HB1 ALA 9 1HB ALA 9 -2.918 -4.654 -0.655
69 HB2 ALA 9 2HB ALA 9 -3.108 -3.779 -2.174
70 HB3 ALA 9 3HB ALA 9 -4.530 -4.243 -1.241
71 H ALA 10 H ALA 10 -2.660 -1.275 -2.452
72 HA ALA 10 HA ALA 10 0.121 -1.371 -2.183
73 HB1 ALA 10 1HB ALA 10 0.180 0.478 -3.767
74 HB2 ALA 10 2HB ALA 10 -1.515 0.842 -3.444
75 HB3 ALA 10 3HB ALA 10 -1.074 -0.668 -4.243
76 H LYS 11 H LYS 11 -2.248 0.779 -0.743
77 HA LYS 11 HA LYS 11 -0.453 2.758 0.181
78 HB2 LYS 11 2HB LYS 11 -3.092 2.665 0.024
79 HB3 LYS 11 1HB LYS 11 -2.910 2.137 1.685
80 HG2 LYS 11 2HG LYS 11 -1.781 4.687 0.510
81 HG3 LYS 11 1HG LYS 11 -3.157 4.575 1.618
82 HD2 LYS 11 2HD LYS 11 -1.497 3.349 3.201
83 HD3 LYS 11 1HD LYS 11 -0.241 4.043 2.175
84 HE2 LYS 11 2HE LYS 11 -2.263 5.468 3.896
85 HE3 LYS 11 1HE LYS 11 -0.510 5.663 3.862
86 HZ1 LYS 11 1HZ LYS 11 -1.578 7.507 2.763
87 HZ2 LYS 11 2HZ LYS 11 -2.405 6.455 1.717
88 HZ3 LYS 11 3HZ LYS 11 -0.714 6.593 1.626
89 H ASP 12 H ASP 12 -1.970 0.001 1.841
90 HA ASP 12 HA ASP 12 -0.633 0.333 4.299
91 HB2 ASP 12 2HB ASP 12 -2.648 -1.117 3.883
92 HB3 ASP 12 1HB ASP 12 -1.571 -2.284 3.106
93 H ILE 13 H ILE 13 0.079 -1.900 1.605
94 HA ILE 13 HA ILE 13 2.407 -3.034 2.613
95 HB ILE 13 HB ILE 13 1.793 -2.351 -0.273
96 HG12 ILE 13 2HG1 ILE 13 1.338 -4.992 1.129
97 HG13 ILE 13 1HG1 ILE 13 0.093 -3.737 1.108
98 HG21 ILE 13 1HG2 ILE 13 3.758 -4.225 1.059
99 HG22 ILE 13 2HG2 ILE 13 4.094 -2.958 -0.121
100 HG23 ILE 13 3HG2 ILE 13 3.255 -4.427 -0.620
101 HD11 ILE 13 1HD1 ILE 13 1.430 -4.806 -1.391
102 HD12 ILE 13 2HD1 ILE 13 0.025 -3.745 -1.304
103 HD13 ILE 13 3HD1 ILE 13 -0.100 -5.420 -0.766
104 H ALA 14 H ALA 14 2.127 -0.206 0.454
105 HA ALA 14 HA ALA 14 4.911 0.433 0.606
106 HB1 ALA 14 1HB ALA 14 4.300 2.470 -0.580
107 HB2 ALA 14 2HB ALA 14 2.595 2.200 -0.219
108 HB3 ALA 14 3HB ALA 14 3.455 1.096 -1.294
109 H GLY 15 H GLY 15 2.169 1.095 2.594
110 HA2 GLY 15 2HA GLY 15 3.011 3.499 3.823
111 HA3 GLY 15 1HA GLY 15 1.893 2.328 4.518
112 H HIS 16 H HIS 16 3.170 0.164 5.108
113 HA HIS 16 HA HIS 16 4.882 0.844 7.268
114 HB2 HIS 16 2HB HIS 16 5.058 -1.522 7.652
115 HB3 HIS 16 1HB HIS 16 3.403 -1.189 7.143
116 HD2 HIS 16 2HD HIS 16 2.612 -2.745 4.999
117 HE1 HIS 16 1HE HIS 16 6.445 -3.841 3.610
118 HE2 HIS 16 2HE HIS 16 3.951 -4.165 3.264
119 H LEU 17 H LEU 17 5.469 0.409 3.941
120 HA LEU 17 HA LEU 17 8.151 -0.570 4.100
121 HB2 LEU 17 2HB LEU 17 6.454 -0.535 2.083
122 HB3 LEU 17 1HB LEU 17 7.143 1.066 1.794
123 HG LEU 17 HG LEU 17 8.345 -0.617 0.493
124 HD11 LEU 17 1HD1 LEU 17 10.141 0.190 2.771
125 HD12 LEU 17 2HD1 LEU 17 9.461 1.390 1.670
126 HD13 LEU 17 3HD1 LEU 17 10.510 0.116 1.049
127 HD21 LEU 17 1HD2 LEU 17 9.124 -2.597 1.335
128 HD22 LEU 17 2HD2 LEU 17 7.892 -2.331 2.566
129 HD23 LEU 17 3HD2 LEU 17 9.568 -1.886 2.886
130 H ALA 18 H ALA 18 6.910 2.631 3.110
131 HA ALA 18 HA ALA 18 9.331 3.993 3.159
132 HB1 ALA 18 1HB ALA 18 6.545 5.002 3.769
133 HB2 ALA 18 2HB ALA 18 7.353 5.005 2.202
134 HB3 ALA 18 3HB ALA 18 7.942 6.045 3.498
135 H SER 19 H SER 19 7.547 2.712 5.765
136 HA SER 19 HA SER 19 8.193 4.506 7.837
137 HB2 SER 19 2HB SER 19 7.440 2.851 9.304
138 HB3 SER 19 1HB SER 19 6.586 2.457 7.815
139 HG SER 19 HG SER 19 8.547 1.084 9.158
140 H LYS 20 H LYS 20 9.898 1.647 6.597
141 HA LYS 20 HA LYS 20 12.030 1.813 8.470
142 HB2 LYS 20 2HB LYS 20 12.423 -0.244 7.671
143 HB3 LYS 20 1HB LYS 20 11.161 0.012 6.471
144 HG2 LYS 20 2HG LYS 20 13.046 -0.472 5.161
145 HG3 LYS 20 1HG LYS 20 12.980 1.284 5.143
146 HD2 LYS 20 2HD LYS 20 15.164 1.160 5.800
147 HD3 LYS 20 1HD LYS 20 14.486 0.841 7.396
148 HE2 LYS 20 2HE LYS 20 14.584 -1.580 6.968
149 HE3 LYS 20 1HE LYS 20 15.231 -1.277 5.356
150 HZ1 LYS 20 1HZ LYS 20 17.248 -0.751 6.163
151 HZ2 LYS 20 2HZ LYS 20 16.755 -1.692 7.489
152 HZ3 LYS 20 3HZ LYS 20 16.634 0.001 7.554
153 H VAL 21 H VAL 21 11.373 3.243 5.392
154 HA VAL 21 HA VAL 21 14.040 4.082 4.815
155 HB VAL 21 HB VAL 21 11.398 5.092 3.812
156 HG11 VAL 21 1HG1 VAL 21 12.994 6.828 3.438
157 HG12 VAL 21 2HG1 VAL 21 12.873 5.950 1.913
158 HG13 VAL 21 3HG1 VAL 21 14.244 5.670 2.986
159 HG21 VAL 21 1HG2 VAL 21 13.426 3.130 2.714
160 HG22 VAL 21 2HG2 VAL 21 12.063 3.759 1.787
161 HG23 VAL 21 3HG2 VAL 21 11.774 2.769 3.218
162 H MET 22 H MET 22 11.637 5.172 6.968
163 HA MET 22 HA MET 22 12.894 7.835 7.207
164 HB2 MET 22 2HB MET 22 10.450 7.819 6.875
165 HB3 MET 22 1HB MET 22 10.266 6.822 8.326
166 HG2 MET 22 2HG MET 22 11.060 8.561 9.747
167 HG3 MET 22 1HG MET 22 11.678 9.498 8.379
168 HE1 MET 22 1HE MET 22 10.584 11.378 7.468
169 HE2 MET 22 2HE MET 22 8.897 11.411 6.959
170 HE3 MET 22 3HE MET 22 9.975 10.166 6.332
171 HN1 NH2 23 HN1 NH2 23 11.603 5.256 9.389
172 HN2 NH2 23 HN2 NH2 23 12.743 5.537 10.615
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -15.246 -1.871 -4.397
2 H2 GLY 1 2HT GLY 1 -16.296 -0.906 -5.319
3 H3 GLY 1 3HT GLY 1 -14.671 -0.452 -5.123
4 HA2 GLY 1 2HA GLY 1 -15.808 -2.622 -6.768
5 HA3 GLY 1 1HA GLY 1 -14.680 -1.343 -7.244
6 H VAL 2 H VAL 2 -14.604 -4.421 -7.220
7 HA VAL 2 HA VAL 2 -12.750 -5.405 -5.400
8 HB VAL 2 HB VAL 2 -13.327 -6.100 -8.278
9 HG11 VAL 2 1HG1 VAL 2 -11.984 -8.228 -7.693
10 HG12 VAL 2 2HG1 VAL 2 -11.263 -7.261 -6.406
11 HG13 VAL 2 3HG1 VAL 2 -11.067 -6.775 -8.089
12 HG21 VAL 2 1HG2 VAL 2 -14.438 -8.002 -7.309
13 HG22 VAL 2 2HG2 VAL 2 -14.967 -6.588 -6.399
14 HG23 VAL 2 3HG2 VAL 2 -13.749 -7.669 -5.720
15 H VAL 3 H VAL 3 -12.006 -4.297 -8.711
16 HA VAL 3 HA VAL 3 -9.241 -4.325 -8.527
17 HB VAL 3 HB VAL 3 -10.995 -2.404 -10.076
18 HG11 VAL 3 1HG1 VAL 3 -8.055 -3.108 -10.273
19 HG12 VAL 3 2HG1 VAL 3 -8.761 -1.514 -10.005
20 HG13 VAL 3 3HG1 VAL 3 -8.945 -2.308 -11.569
21 HG21 VAL 3 1HG2 VAL 3 -10.363 -4.067 -11.937
22 HG22 VAL 3 2HG2 VAL 3 -11.532 -4.628 -10.742
23 HG23 VAL 3 3HG2 VAL 3 -9.849 -5.146 -10.640
24 H ASP 4 H ASP 4 -11.523 -1.867 -7.449
25 HA ASP 4 HA ASP 4 -9.582 0.141 -6.878
26 HB2 ASP 4 2HB ASP 4 -12.021 0.574 -7.188
27 HB3 ASP 4 1HB ASP 4 -12.319 -0.217 -5.641
28 H ILE 5 H ILE 5 -11.151 -2.371 -4.916
29 HA ILE 5 HA ILE 5 -10.204 -1.659 -2.403
30 HB ILE 5 HB ILE 5 -10.818 -4.341 -3.639
31 HG12 ILE 5 2HG1 ILE 5 -12.182 -2.814 -1.405
32 HG13 ILE 5 1HG1 ILE 5 -12.616 -2.618 -3.103
33 HG21 ILE 5 1HG2 ILE 5 -9.799 -3.689 -0.870
34 HG22 ILE 5 2HG2 ILE 5 -9.229 -4.936 -1.979
35 HG23 ILE 5 3HG2 ILE 5 -10.789 -5.116 -1.178
36 HD11 ILE 5 1HD1 ILE 5 -13.467 -4.780 -3.278
37 HD12 ILE 5 2HD1 ILE 5 -13.905 -4.373 -1.618
38 HD13 ILE 5 3HD1 ILE 5 -12.495 -5.383 -1.935
39 H LEU 6 H LEU 6 -8.571 -3.435 -4.992
40 HA LEU 6 HA LEU 6 -6.325 -4.323 -3.575
41 HB2 LEU 6 2HB LEU 6 -6.117 -3.317 -6.405
42 HB3 LEU 6 1HB LEU 6 -5.316 -4.702 -5.657
43 HG LEU 6 HG LEU 6 -8.229 -4.448 -6.435
44 HD11 LEU 6 1HD1 LEU 6 -6.622 -5.132 -8.193
45 HD12 LEU 6 2HD1 LEU 6 -7.717 -6.448 -7.770
46 HD13 LEU 6 3HD1 LEU 6 -6.064 -6.446 -7.158
47 HD21 LEU 6 1HD2 LEU 6 -6.834 -6.373 -4.576
48 HD22 LEU 6 2HD2 LEU 6 -8.258 -6.874 -5.487
49 HD23 LEU 6 3HD2 LEU 6 -8.370 -5.537 -4.346
50 H LYS 7 H LYS 7 -6.840 -1.297 -5.349
51 HA LYS 7 HA LYS 7 -4.371 -0.103 -4.986
52 HB2 LYS 7 2HB LYS 7 -6.875 1.522 -4.719
53 HB3 LYS 7 1HB LYS 7 -5.396 1.917 -5.560
54 HG2 LYS 7 2HG LYS 7 -7.143 -0.361 -6.488
55 HG3 LYS 7 1HG LYS 7 -7.481 1.297 -6.971
56 HD2 LYS 7 2HD LYS 7 -5.668 1.413 -8.347
57 HD3 LYS 7 1HD LYS 7 -4.664 0.477 -7.245
58 HE2 LYS 7 2HE LYS 7 -5.814 -1.595 -7.959
59 HE3 LYS 7 1HE LYS 7 -6.793 -0.652 -9.081
60 HZ1 LYS 7 1HZ LYS 7 -4.724 -1.765 -9.999
61 HZ2 LYS 7 2HZ LYS 7 -3.839 -0.585 -9.158
62 HZ3 LYS 7 3HZ LYS 7 -4.937 -0.123 -10.368
63 H GLY 8 H GLY 8 -7.222 0.100 -2.883
64 HA2 GLY 8 2HA GLY 8 -6.247 1.734 -0.882
65 HA3 GLY 8 1HA GLY 8 -7.404 0.429 -0.604
66 H ALA 9 H ALA 9 -5.376 -1.536 -1.624
67 HA ALA 9 HA ALA 9 -4.190 -2.150 0.920
68 HB1 ALA 9 1HB ALA 9 -5.019 -3.800 -0.880
69 HB2 ALA 9 2HB ALA 9 -3.504 -4.177 -0.061
70 HB3 ALA 9 3HB ALA 9 -3.480 -3.489 -1.684
71 H ALA 10 H ALA 10 -3.041 -0.858 -2.156
72 HA ALA 10 HA ALA 10 -0.287 -1.044 -1.774
73 HB1 ALA 10 1HB ALA 10 -1.854 1.167 -3.124
74 HB2 ALA 10 2HB ALA 10 -1.280 -0.314 -3.887
75 HB3 ALA 10 3HB ALA 10 -0.123 0.887 -3.311
76 H LYS 11 H LYS 11 -2.529 1.518 -0.745
77 HA LYS 11 HA LYS 11 -0.645 3.254 0.375
78 HB2 LYS 11 2HB LYS 11 -3.187 3.555 -0.050
79 HB3 LYS 11 1HB LYS 11 -3.332 2.903 1.571
80 HG2 LYS 11 2HG LYS 11 -1.906 4.660 2.474
81 HG3 LYS 11 1HG LYS 11 -1.624 5.292 0.845
82 HD2 LYS 11 2HD LYS 11 -3.852 6.045 0.624
83 HD3 LYS 11 1HD LYS 11 -4.421 5.033 1.951
84 HE2 LYS 11 2HE LYS 11 -2.376 7.191 2.443
85 HE3 LYS 11 1HE LYS 11 -4.095 7.577 2.395
86 HZ1 LYS 11 1HZ LYS 11 -4.048 5.399 3.966
87 HZ2 LYS 11 2HZ LYS 11 -4.048 6.999 4.538
88 HZ3 LYS 11 3HZ LYS 11 -2.587 6.145 4.394
89 H ASP 12 H ASP 12 -2.295 0.455 1.737
90 HA ASP 12 HA ASP 12 -1.324 0.829 4.400
91 HB2 ASP 12 2HB ASP 12 -3.337 -0.495 3.931
92 HB3 ASP 12 1HB ASP 12 -2.363 -1.664 3.029
93 H ILE 13 H ILE 13 -0.408 -1.435 1.793
94 HA ILE 13 HA ILE 13 1.710 -2.707 3.062
95 HB ILE 13 HB ILE 13 1.474 -1.953 0.140
96 HG12 ILE 13 2HG1 ILE 13 0.801 -4.608 1.416
97 HG13 ILE 13 1HG1 ILE 13 -0.401 -3.320 1.301
98 HG21 ILE 13 1HG2 ILE 13 3.746 -2.625 0.650
99 HG22 ILE 13 2HG2 ILE 13 2.944 -3.973 -0.157
100 HG23 ILE 13 3HG2 ILE 13 3.170 -4.001 1.591
101 HD11 ILE 13 1HD1 ILE 13 1.174 -4.252 -1.103
102 HD12 ILE 13 2HD1 ILE 13 -0.312 -3.302 -1.075
103 HD13 ILE 13 3HD1 ILE 13 -0.347 -5.009 -0.632
104 H ALA 14 H ALA 14 1.871 0.155 0.938
105 HA ALA 14 HA ALA 14 4.569 0.695 1.080
106 HB1 ALA 14 1HB ALA 14 3.908 3.113 0.796
107 HB2 ALA 14 2HB ALA 14 2.231 2.609 1.006
108 HB3 ALA 14 3HB ALA 14 3.169 2.007 -0.361
109 H GLY 15 H GLY 15 2.217 0.914 3.588
110 HA2 GLY 15 2HA GLY 15 3.266 2.845 5.289
111 HA3 GLY 15 1HA GLY 15 2.406 1.408 5.829
112 H HIS 16 H HIS 16 3.896 -0.673 5.512
113 HA HIS 16 HA HIS 16 6.010 -0.409 7.376
114 HB2 HIS 16 2HB HIS 16 6.397 -2.735 7.038
115 HB3 HIS 16 1HB HIS 16 4.657 -2.502 6.875
116 HD2 HIS 16 2HD HIS 16 3.635 -3.351 4.436
117 HE1 HIS 16 1HE HIS 16 7.310 -3.807 2.407
118 HE2 HIS 16 2HE HIS 16 4.800 -4.159 2.243
119 H LEU 17 H LEU 17 5.859 -0.040 3.948
120 HA LEU 17 HA LEU 17 8.592 -0.544 3.347
121 HB2 LEU 17 2HB LEU 17 6.513 -0.340 1.765
122 HB3 LEU 17 1HB LEU 17 6.890 1.387 1.795
123 HG LEU 17 HG LEU 17 7.965 0.298 -0.119
124 HD11 LEU 17 1HD1 LEU 17 9.029 2.177 1.309
125 HD12 LEU 17 2HD1 LEU 17 10.053 1.327 0.154
126 HD13 LEU 17 3HD1 LEU 17 10.136 0.922 1.868
127 HD21 LEU 17 1HD2 LEU 17 8.272 -1.890 1.463
128 HD22 LEU 17 2HD2 LEU 17 9.889 -1.196 1.592
129 HD23 LEU 17 3HD2 LEU 17 9.230 -1.609 0.010
130 H ALA 18 H ALA 18 6.830 2.561 3.493
131 HA ALA 18 HA ALA 18 9.030 4.252 3.416
132 HB1 ALA 18 1HB ALA 18 7.585 5.941 4.429
133 HB2 ALA 18 2HB ALA 18 6.464 4.689 4.962
134 HB3 ALA 18 3HB ALA 18 6.677 5.006 3.240
135 H SER 19 H SER 19 8.123 2.076 5.862
136 HA SER 19 HA SER 19 8.969 3.358 8.201
137 HB2 SER 19 2HB SER 19 8.913 1.257 9.203
138 HB3 SER 19 1HB SER 19 7.841 1.025 7.824
139 HG SER 19 HG SER 19 10.581 0.319 8.056
140 H LYS 20 H LYS 20 10.813 1.435 5.849
141 HA LYS 20 HA LYS 20 13.280 1.659 7.236
142 HB2 LYS 20 2HB LYS 20 13.858 0.069 5.766
143 HB3 LYS 20 1HB LYS 20 12.292 0.270 4.989
144 HG2 LYS 20 2HG LYS 20 13.772 0.672 3.227
145 HG3 LYS 20 1HG LYS 20 13.417 2.294 3.801
146 HD2 LYS 20 2HD LYS 20 15.711 2.466 3.805
147 HD3 LYS 20 1HD LYS 20 15.523 1.735 5.398
148 HE2 LYS 20 2HE LYS 20 17.195 0.457 4.234
149 HE3 LYS 20 1HE LYS 20 15.732 -0.527 4.274
150 HZ1 LYS 20 1HZ LYS 20 16.295 -0.673 2.081
151 HZ2 LYS 20 2HZ LYS 20 16.963 0.888 2.019
152 HZ3 LYS 20 3HZ LYS 20 15.276 0.682 2.028
153 H VAL 21 H VAL 21 11.606 3.615 4.926
154 HA VAL 21 HA VAL 21 13.883 5.289 4.322
155 HB VAL 21 HB VAL 21 11.035 6.004 3.776
156 HG11 VAL 21 1HG1 VAL 21 13.569 6.402 2.172
157 HG12 VAL 21 2HG1 VAL 21 12.912 7.601 3.286
158 HG13 VAL 21 3HG1 VAL 21 11.993 7.128 1.857
159 HG21 VAL 21 1HG2 VAL 21 12.779 4.054 2.250
160 HG22 VAL 21 2HG2 VAL 21 11.254 4.708 1.654
161 HG23 VAL 21 3HG2 VAL 21 11.272 3.672 3.082
162 H MET 22 H MET 22 11.540 5.097 6.786
163 HA MET 22 HA MET 22 11.675 7.920 7.500
164 HB2 MET 22 2HB MET 22 9.568 6.651 7.785
165 HB3 MET 22 1HB MET 22 10.380 5.596 8.949
166 HG2 MET 22 2HG MET 22 10.433 8.581 9.353
167 HG3 MET 22 1HG MET 22 9.001 7.654 9.824
168 HE1 MET 22 1HE MET 22 8.823 7.726 12.153
169 HE2 MET 22 2HE MET 22 9.996 9.041 12.190
170 HE3 MET 22 3HE MET 22 10.135 7.713 13.339
171 HN1 NH2 23 HN1 NH2 23 12.422 4.888 9.325
172 HN2 NH2 23 HN2 NH2 23 13.708 5.571 10.198
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -14.182 -1.876 -4.176
2 H2 GLY 1 2HT GLY 1 -15.831 -2.288 -4.157
3 H3 GLY 1 3HT GLY 1 -15.313 -0.881 -4.954
4 HA2 GLY 1 2HA GLY 1 -15.744 -3.289 -6.127
5 HA3 GLY 1 1HA GLY 1 -14.796 -1.962 -6.815
6 H VAL 2 H VAL 2 -14.417 -4.880 -7.077
7 HA VAL 2 HA VAL 2 -12.362 -5.934 -5.540
8 HB VAL 2 HB VAL 2 -13.088 -6.275 -8.448
9 HG11 VAL 2 1HG1 VAL 2 -10.824 -7.513 -6.879
10 HG12 VAL 2 2HG1 VAL 2 -10.770 -6.772 -8.479
11 HG13 VAL 2 3HG1 VAL 2 -11.552 -8.337 -8.259
12 HG21 VAL 2 1HG2 VAL 2 -14.559 -7.150 -6.580
13 HG22 VAL 2 2HG2 VAL 2 -13.219 -8.193 -6.104
14 HG23 VAL 2 3HG2 VAL 2 -13.969 -8.388 -7.688
15 H VAL 3 H VAL 3 -11.949 -4.326 -8.701
16 HA VAL 3 HA VAL 3 -9.176 -4.133 -8.661
17 HB VAL 3 HB VAL 3 -11.141 -2.170 -9.868
18 HG11 VAL 3 1HG1 VAL 3 -8.986 -1.165 -9.916
19 HG12 VAL 3 2HG1 VAL 3 -9.174 -1.908 -11.504
20 HG13 VAL 3 3HG1 VAL 3 -8.193 -2.700 -10.271
21 HG21 VAL 3 1HG2 VAL 3 -11.448 -4.582 -10.523
22 HG22 VAL 3 2HG2 VAL 3 -9.784 -4.585 -11.106
23 HG23 VAL 3 3HG2 VAL 3 -10.983 -3.540 -11.867
24 H ASP 4 H ASP 4 -11.607 -2.068 -7.172
25 HA ASP 4 HA ASP 4 -9.839 0.051 -6.453
26 HB2 ASP 4 2HB ASP 4 -12.334 0.237 -6.578
27 HB3 ASP 4 1HB ASP 4 -12.433 -0.735 -5.110
28 H ILE 5 H ILE 5 -11.051 -2.809 -4.728
29 HA ILE 5 HA ILE 5 -10.019 -2.324 -2.204
30 HB ILE 5 HB ILE 5 -10.435 -4.880 -3.751
31 HG12 ILE 5 2HG1 ILE 5 -11.789 -3.797 -1.264
32 HG13 ILE 5 1HG1 ILE 5 -12.359 -3.451 -2.896
33 HG21 ILE 5 1HG2 ILE 5 -9.307 -4.486 -0.974
34 HG22 ILE 5 2HG2 ILE 5 -8.680 -5.500 -2.273
35 HG23 ILE 5 3HG2 ILE 5 -10.157 -5.963 -1.429
36 HD11 ILE 5 1HD1 ILE 5 -12.936 -5.689 -3.307
37 HD12 ILE 5 2HD1 ILE 5 -13.394 -5.476 -1.618
38 HD13 ILE 5 3HD1 ILE 5 -11.888 -6.296 -2.026
39 H LEU 6 H LEU 6 -8.363 -3.403 -5.111
40 HA LEU 6 HA LEU 6 -5.944 -4.235 -3.909
41 HB2 LEU 6 2HB LEU 6 -6.038 -2.940 -6.623
42 HB3 LEU 6 1HB LEU 6 -5.057 -4.303 -6.074
43 HG LEU 6 HG LEU 6 -8.031 -4.282 -6.639
44 HD11 LEU 6 1HD1 LEU 6 -7.451 -5.998 -8.267
45 HD12 LEU 6 2HD1 LEU 6 -5.773 -5.989 -7.726
46 HD13 LEU 6 3HD1 LEU 6 -6.441 -4.580 -8.549
47 HD21 LEU 6 1HD2 LEU 6 -6.310 -6.221 -5.103
48 HD22 LEU 6 2HD2 LEU 6 -7.717 -6.796 -5.996
49 HD23 LEU 6 3HD2 LEU 6 -7.916 -5.615 -4.704
50 H LYS 7 H LYS 7 -6.905 -1.147 -5.360
51 HA LYS 7 HA LYS 7 -4.566 0.290 -4.964
52 HB2 LYS 7 2HB LYS 7 -7.230 1.591 -4.536
53 HB3 LYS 7 1HB LYS 7 -5.829 2.211 -5.374
54 HG2 LYS 7 2HG LYS 7 -7.350 -0.176 -6.426
55 HG3 LYS 7 1HG LYS 7 -7.858 1.467 -6.794
56 HD2 LYS 7 2HD LYS 7 -6.120 1.827 -8.215
57 HD3 LYS 7 1HD LYS 7 -4.982 0.989 -7.168
58 HE2 LYS 7 2HE LYS 7 -5.553 -1.133 -8.036
59 HE3 LYS 7 1HE LYS 7 -7.059 -0.536 -8.733
60 HZ1 LYS 7 1HZ LYS 7 -6.018 0.156 -10.562
61 HZ2 LYS 7 2HZ LYS 7 -4.725 -0.830 -10.067
62 HZ3 LYS 7 3HZ LYS 7 -4.722 0.830 -9.699
63 H GLY 8 H GLY 8 -7.384 0.060 -2.810
64 HA2 GLY 8 2HA GLY 8 -6.510 1.632 -0.715
65 HA3 GLY 8 1HA GLY 8 -7.540 0.211 -0.509
66 H ALA 9 H ALA 9 -5.408 -1.508 -1.689
67 HA ALA 9 HA ALA 9 -4.066 -2.156 0.771
68 HB1 ALA 9 1HB ALA 9 -4.858 -3.759 -1.113
69 HB2 ALA 9 2HB ALA 9 -3.317 -4.088 -0.323
70 HB3 ALA 9 3HB ALA 9 -3.348 -3.319 -1.909
71 H ALA 10 H ALA 10 -3.210 -0.582 -2.254
72 HA ALA 10 HA ALA 10 -0.431 -0.574 -2.062
73 HB1 ALA 10 1HB ALA 10 -1.898 0.283 -3.974
74 HB2 ALA 10 2HB ALA 10 -0.454 1.227 -3.606
75 HB3 ALA 10 3HB ALA 10 -2.035 1.781 -3.053
76 H LYS 11 H LYS 11 -2.827 1.366 -0.387
77 HA LYS 11 HA LYS 11 -1.075 3.338 0.630
78 HB2 LYS 11 2HB LYS 11 -3.713 3.147 0.556
79 HB3 LYS 11 1HB LYS 11 -3.448 2.505 2.166
80 HG2 LYS 11 2HG LYS 11 -2.475 5.182 1.143
81 HG3 LYS 11 1HG LYS 11 -3.788 4.924 2.302
82 HD2 LYS 11 2HD LYS 11 -2.014 3.668 3.717
83 HD3 LYS 11 1HD LYS 11 -0.828 4.464 2.681
84 HE2 LYS 11 2HE LYS 11 -1.752 6.662 3.284
85 HE3 LYS 11 1HE LYS 11 -2.969 5.881 4.296
86 HZ1 LYS 11 1HZ LYS 11 -0.081 5.411 4.709
87 HZ2 LYS 11 2HZ LYS 11 -1.363 5.147 5.791
88 HZ3 LYS 11 3HZ LYS 11 -0.872 6.731 5.423
89 H ASP 12 H ASP 12 -2.424 0.401 2.126
90 HA ASP 12 HA ASP 12 -1.018 0.591 4.555
91 HB2 ASP 12 2HB ASP 12 -2.958 -0.933 4.097
92 HB3 ASP 12 1HB ASP 12 -1.865 -1.956 3.154
93 H ILE 13 H ILE 13 -0.271 -1.308 1.630
94 HA ILE 13 HA ILE 13 2.140 -2.424 2.444
95 HB ILE 13 HB ILE 13 1.403 -1.439 -0.324
96 HG12 ILE 13 2HG1 ILE 13 1.138 -4.253 0.745
97 HG13 ILE 13 1HG1 ILE 13 -0.168 -3.080 0.937
98 HG21 ILE 13 1HG2 ILE 13 2.981 -3.259 -1.029
99 HG22 ILE 13 2HG2 ILE 13 3.445 -3.451 0.661
100 HG23 ILE 13 3HG2 ILE 13 3.776 -1.935 -0.177
101 HD11 ILE 13 1HD1 ILE 13 -0.431 -2.830 -1.415
102 HD12 ILE 13 2HD1 ILE 13 -0.272 -4.566 -1.150
103 HD13 ILE 13 3HD1 ILE 13 1.101 -3.635 -1.749
104 H ALA 14 H ALA 14 1.648 0.619 0.649
105 HA ALA 14 HA ALA 14 4.325 1.440 0.585
106 HB1 ALA 14 1HB ALA 14 1.868 3.201 0.738
107 HB2 ALA 14 2HB ALA 14 2.499 2.475 -0.741
108 HB3 ALA 14 3HB ALA 14 3.457 3.670 0.133
109 H GLY 15 H GLY 15 2.057 1.371 3.180
110 HA2 GLY 15 2HA GLY 15 3.051 3.433 4.819
111 HA3 GLY 15 1HA GLY 15 2.188 2.009 5.386
112 H HIS 16 H HIS 16 3.681 -0.079 5.112
113 HA HIS 16 HA HIS 16 5.760 0.198 6.998
114 HB2 HIS 16 2HB HIS 16 6.199 -2.122 6.639
115 HB3 HIS 16 1HB HIS 16 4.457 -1.908 6.474
116 HD2 HIS 16 2HD HIS 16 3.558 -3.179 4.207
117 HE1 HIS 16 1HE HIS 16 7.054 -2.819 1.866
118 HE2 HIS 16 2HE HIS 16 4.681 -3.724 1.913
119 H LEU 17 H LEU 17 5.691 0.838 3.658
120 HA LEU 17 HA LEU 17 8.394 0.233 3.005
121 HB2 LEU 17 2HB LEU 17 6.346 0.713 1.448
122 HB3 LEU 17 1HB LEU 17 6.808 2.406 1.659
123 HG LEU 17 HG LEU 17 7.841 1.465 -0.357
124 HD11 LEU 17 1HD1 LEU 17 8.983 3.138 1.261
125 HD12 LEU 17 2HD1 LEU 17 9.970 2.367 0.020
126 HD13 LEU 17 3HD1 LEU 17 10.030 1.782 1.682
127 HD21 LEU 17 1HD2 LEU 17 9.026 -0.498 -0.417
128 HD22 LEU 17 2HD2 LEU 17 8.034 -0.884 0.988
129 HD23 LEU 17 3HD2 LEU 17 9.678 -0.283 1.207
130 H ALA 18 H ALA 18 6.825 3.415 3.433
131 HA ALA 18 HA ALA 18 9.198 4.896 3.602
132 HB1 ALA 18 1HB ALA 18 6.894 5.832 3.250
133 HB2 ALA 18 2HB ALA 18 7.842 6.693 4.464
134 HB3 ALA 18 3HB ALA 18 6.583 5.564 4.965
135 H SER 19 H SER 19 7.687 2.825 5.880
136 HA SER 19 HA SER 19 8.716 3.974 8.271
137 HB2 SER 19 2HB SER 19 7.901 2.060 9.358
138 HB3 SER 19 1HB SER 19 6.817 2.242 7.982
139 HG SER 19 HG SER 19 7.555 0.109 8.128
140 H LYS 20 H LYS 20 9.860 1.425 6.087
141 HA LYS 20 HA LYS 20 12.154 0.784 7.642
142 HB2 LYS 20 2HB LYS 20 12.171 -0.976 6.254
143 HB3 LYS 20 1HB LYS 20 10.844 -0.245 5.360
144 HG2 LYS 20 2HG LYS 20 12.454 -0.491 3.694
145 HG3 LYS 20 1HG LYS 20 12.732 1.162 4.224
146 HD2 LYS 20 2HD LYS 20 14.908 0.364 4.310
147 HD3 LYS 20 1HD LYS 20 14.383 -0.036 5.946
148 HE2 LYS 20 2HE LYS 20 13.773 -2.311 5.187
149 HE3 LYS 20 1HE LYS 20 14.335 -1.913 3.564
150 HZ1 LYS 20 1HZ LYS 20 15.994 -3.098 4.944
151 HZ2 LYS 20 2HZ LYS 20 16.034 -1.762 5.993
152 HZ3 LYS 20 3HZ LYS 20 16.535 -1.595 4.378
153 H VAL 21 H VAL 21 11.424 3.117 5.199
154 HA VAL 21 HA VAL 21 14.110 3.794 4.523
155 HB VAL 21 HB VAL 21 11.570 5.364 4.243
156 HG11 VAL 21 1HG1 VAL 21 13.373 6.922 4.125
157 HG12 VAL 21 2HG1 VAL 21 12.957 6.548 2.453
158 HG13 VAL 21 3HG1 VAL 21 14.367 5.799 3.199
159 HG21 VAL 21 1HG2 VAL 21 11.622 3.204 3.018
160 HG22 VAL 21 2HG2 VAL 21 13.130 3.701 2.250
161 HG23 VAL 21 3HG2 VAL 21 11.639 4.582 1.917
162 H MET 22 H MET 22 12.132 4.445 7.218
163 HA MET 22 HA MET 22 13.463 6.917 7.969
164 HB2 MET 22 2HB MET 22 11.078 6.525 8.519
165 HB3 MET 22 1HB MET 22 11.560 5.175 9.557
166 HG2 MET 22 2HG MET 22 12.777 6.633 11.029
167 HG3 MET 22 1HG MET 22 12.622 7.993 9.908
168 HE1 MET 22 1HE MET 22 11.531 9.764 11.164
169 HE2 MET 22 2HE MET 22 11.961 8.813 12.583
170 HE3 MET 22 3HE MET 22 10.351 9.516 12.459
171 HN1 NH2 23 HN1 NH2 23 13.073 3.895 9.898
172 HN2 NH2 23 HN2 NH2 23 14.666 3.899 10.484
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -15.352 -0.196 -7.925
2 H2 GLY 1 2HT GLY 1 -15.257 -1.861 -8.251
3 H3 GLY 1 3HT GLY 1 -13.845 -0.917 -8.213
4 HA2 GLY 1 2HA GLY 1 -14.410 -0.412 -5.813
5 HA3 GLY 1 1HA GLY 1 -15.562 -1.747 -5.952
6 H VAL 2 H VAL 2 -14.417 -3.661 -7.310
7 HA VAL 2 HA VAL 2 -12.623 -4.910 -5.603
8 HB VAL 2 HB VAL 2 -13.245 -5.289 -8.527
9 HG11 VAL 2 1HG1 VAL 2 -11.010 -6.059 -8.462
10 HG12 VAL 2 2HG1 VAL 2 -11.969 -7.512 -8.186
11 HG13 VAL 2 3HG1 VAL 2 -11.188 -6.700 -6.829
12 HG21 VAL 2 1HG2 VAL 2 -14.844 -5.909 -6.624
13 HG22 VAL 2 2HG2 VAL 2 -13.666 -7.139 -6.170
14 HG23 VAL 2 3HG2 VAL 2 -14.443 -7.206 -7.751
15 H VAL 3 H VAL 3 -11.808 -3.490 -8.779
16 HA VAL 3 HA VAL 3 -9.049 -3.693 -8.603
17 HB VAL 3 HB VAL 3 -10.688 -1.507 -9.908
18 HG11 VAL 3 1HG1 VAL 3 -8.444 -0.710 -9.756
19 HG12 VAL 3 2HG1 VAL 3 -8.598 -1.378 -11.380
20 HG13 VAL 3 3HG1 VAL 3 -7.778 -2.301 -10.121
21 HG21 VAL 3 1HG2 VAL 3 -9.430 -3.982 -11.125
22 HG22 VAL 3 2HG2 VAL 3 -10.559 -2.865 -11.892
23 HG23 VAL 3 3HG2 VAL 3 -11.110 -3.921 -10.590
24 H ASP 4 H ASP 4 -11.207 -1.293 -7.207
25 HA ASP 4 HA ASP 4 -9.178 0.539 -6.395
26 HB2 ASP 4 2HB ASP 4 -11.662 1.019 -6.632
27 HB3 ASP 4 1HB ASP 4 -11.880 0.178 -5.098
28 H ILE 5 H ILE 5 -10.882 -2.113 -4.754
29 HA ILE 5 HA ILE 5 -9.906 -1.797 -2.181
30 HB ILE 5 HB ILE 5 -10.569 -4.286 -3.755
31 HG12 ILE 5 2HG1 ILE 5 -11.972 -2.910 -1.443
32 HG13 ILE 5 1HG1 ILE 5 -12.371 -2.633 -3.137
33 HG21 ILE 5 1HG2 ILE 5 -10.644 -5.345 -1.410
34 HG22 ILE 5 2HG2 ILE 5 -9.663 -3.976 -0.888
35 HG23 ILE 5 3HG2 ILE 5 -9.047 -5.088 -2.111
36 HD11 ILE 5 1HD1 ILE 5 -12.647 -5.201 -3.293
37 HD12 ILE 5 2HD1 ILE 5 -13.908 -4.296 -2.455
38 HD13 ILE 5 3HD1 ILE 5 -12.684 -5.167 -1.531
39 H LEU 6 H LEU 6 -8.315 -3.157 -5.011
40 HA LEU 6 HA LEU 6 -6.097 -4.321 -3.718
41 HB2 LEU 6 2HB LEU 6 -5.888 -3.019 -6.424
42 HB3 LEU 6 1HB LEU 6 -5.133 -4.508 -5.845
43 HG LEU 6 HG LEU 6 -8.045 -4.063 -6.535
44 HD11 LEU 6 1HD1 LEU 6 -5.929 -5.988 -7.545
45 HD12 LEU 6 2HD1 LEU 6 -6.553 -4.587 -8.415
46 HD13 LEU 6 3HD1 LEU 6 -7.610 -5.957 -8.077
47 HD21 LEU 6 1HD2 LEU 6 -8.196 -5.386 -4.590
48 HD22 LEU 6 2HD2 LEU 6 -6.690 -6.235 -4.941
49 HD23 LEU 6 3HD2 LEU 6 -8.141 -6.584 -5.881
50 H LYS 7 H LYS 7 -6.567 -1.102 -5.120
51 HA LYS 7 HA LYS 7 -4.029 -0.055 -4.592
52 HB2 LYS 7 2HB LYS 7 -6.472 1.661 -4.376
53 HB3 LYS 7 1HB LYS 7 -4.936 2.027 -5.120
54 HG2 LYS 7 2HG LYS 7 -6.733 -0.112 -6.257
55 HG3 LYS 7 1HG LYS 7 -6.970 1.583 -6.665
56 HD2 LYS 7 2HD LYS 7 -5.069 1.692 -7.923
57 HD3 LYS 7 1HD LYS 7 -4.187 0.624 -6.840
58 HE2 LYS 7 2HE LYS 7 -5.108 -1.327 -7.822
59 HE3 LYS 7 1HE LYS 7 -6.386 -0.414 -8.624
60 HZ1 LYS 7 1HZ LYS 7 -3.779 -1.007 -9.544
61 HZ2 LYS 7 2HZ LYS 7 -3.994 0.677 -9.475
62 HZ3 LYS 7 3HZ LYS 7 -5.065 -0.284 -10.379
63 H GLY 8 H GLY 8 -7.016 0.268 -2.680
64 HA2 GLY 8 2HA GLY 8 -6.014 1.675 -0.518
65 HA3 GLY 8 1HA GLY 8 -7.340 0.513 -0.407
66 H ALA 9 H ALA 9 -5.505 -1.638 -1.395
67 HA ALA 9 HA ALA 9 -4.587 -2.520 1.183
68 HB1 ALA 9 1HB ALA 9 -3.878 -3.823 -1.439
69 HB2 ALA 9 2HB ALA 9 -5.498 -3.962 -0.757
70 HB3 ALA 9 3HB ALA 9 -4.108 -4.575 0.140
71 H ALA 10 H ALA 10 -3.124 -1.131 -1.687
72 HA ALA 10 HA ALA 10 -0.423 -1.711 -1.116
73 HB1 ALA 10 1HB ALA 10 0.111 0.043 -2.695
74 HB2 ALA 10 2HB ALA 10 -1.506 0.727 -2.543
75 HB3 ALA 10 3HB ALA 10 -1.284 -0.849 -3.301
76 H LYS 11 H LYS 11 -2.604 0.780 0.034
77 HA LYS 11 HA LYS 11 -0.782 2.590 1.116
78 HB2 LYS 11 2HB LYS 11 -3.362 2.703 0.923
79 HB3 LYS 11 1HB LYS 11 -3.318 1.938 2.501
80 HG2 LYS 11 2HG LYS 11 -1.705 3.781 3.217
81 HG3 LYS 11 1HG LYS 11 -2.155 4.605 1.719
82 HD2 LYS 11 2HD LYS 11 -4.590 4.311 2.475
83 HD3 LYS 11 1HD LYS 11 -3.933 3.885 4.056
84 HE2 LYS 11 2HE LYS 11 -4.332 6.223 4.179
85 HE3 LYS 11 1HE LYS 11 -2.596 6.076 3.906
86 HZ1 LYS 11 1HZ LYS 11 -3.071 7.546 2.277
87 HZ2 LYS 11 2HZ LYS 11 -4.687 7.044 2.123
88 HZ3 LYS 11 3HZ LYS 11 -3.441 6.137 1.407
89 H ASP 12 H ASP 12 -2.190 -0.333 2.530
90 HA ASP 12 HA ASP 12 -0.950 -0.039 5.073
91 HB2 ASP 12 2HB ASP 12 -2.393 -2.206 3.604
92 HB3 ASP 12 1HB ASP 12 -1.437 -2.651 5.020
93 H ILE 13 H ILE 13 -0.210 -2.152 2.289
94 HA ILE 13 HA ILE 13 2.144 -3.272 3.329
95 HB ILE 13 HB ILE 13 1.496 -2.713 0.425
96 HG12 ILE 13 2HG1 ILE 13 0.970 -5.258 1.974
97 HG13 ILE 13 1HG1 ILE 13 -0.247 -3.985 1.831
98 HG21 ILE 13 1HG2 ILE 13 2.935 -4.755 0.097
99 HG22 ILE 13 2HG2 ILE 13 3.362 -4.662 1.806
100 HG23 ILE 13 3HG2 ILE 13 3.812 -3.354 0.713
101 HD11 ILE 13 1HD1 ILE 13 -0.324 -4.192 -0.545
102 HD12 ILE 13 2HD1 ILE 13 -0.365 -5.841 0.077
103 HD13 ILE 13 3HD1 ILE 13 1.134 -5.182 -0.578
104 H ALA 14 H ALA 14 1.763 -0.541 1.065
105 HA ALA 14 HA ALA 14 4.487 0.155 0.941
106 HB1 ALA 14 1HB ALA 14 3.730 2.266 0.012
107 HB2 ALA 14 2HB ALA 14 2.107 2.003 0.648
108 HB3 ALA 14 3HB ALA 14 2.731 0.966 -0.635
109 H GLY 15 H GLY 15 2.108 0.653 3.388
110 HA2 GLY 15 2HA GLY 15 3.095 2.957 4.659
111 HA3 GLY 15 1HA GLY 15 2.191 1.670 5.450
112 H HIS 16 H HIS 16 3.653 -0.450 5.598
113 HA HIS 16 HA HIS 16 5.741 0.181 7.422
114 HB2 HIS 16 2HB HIS 16 6.133 -2.231 7.494
115 HB3 HIS 16 1HB HIS 16 4.402 -1.897 7.553
116 HD2 HIS 16 2HD HIS 16 3.173 -3.723 5.898
117 HE1 HIS 16 1HE HIS 16 6.048 -3.783 2.807
118 HE2 HIS 16 2HE HIS 16 3.801 -4.698 3.559
119 H LEU 17 H LEU 17 5.640 -0.027 4.024
120 HA LEU 17 HA LEU 17 8.362 -0.839 3.603
121 HB2 LEU 17 2HB LEU 17 6.293 -0.926 1.973
122 HB3 LEU 17 1HB LEU 17 6.776 0.730 1.592
123 HG LEU 17 HG LEU 17 7.816 -0.839 0.031
124 HD11 LEU 17 1HD1 LEU 17 9.976 0.082 0.140
125 HD12 LEU 17 2HD1 LEU 17 9.974 0.111 1.903
126 HD13 LEU 17 3HD1 LEU 17 8.979 1.254 1.000
127 HD21 LEU 17 1HD2 LEU 17 7.950 -2.597 2.113
128 HD22 LEU 17 2HD2 LEU 17 9.612 -2.006 2.093
129 HD23 LEU 17 3HD2 LEU 17 8.921 -2.746 0.650
130 H ALA 18 H ALA 18 6.701 2.261 2.974
131 HA ALA 18 HA ALA 18 9.024 3.790 2.626
132 HB1 ALA 18 1HB ALA 18 7.570 5.741 3.043
133 HB2 ALA 18 2HB ALA 18 6.309 4.664 3.642
134 HB3 ALA 18 3HB ALA 18 6.807 4.586 1.952
135 H SER 19 H SER 19 7.676 2.435 5.449
136 HA SER 19 HA SER 19 8.409 4.282 7.426
137 HB2 SER 19 2HB SER 19 8.149 2.516 8.976
138 HB3 SER 19 1HB SER 19 7.043 2.121 7.663
139 HG SER 19 HG SER 19 9.476 0.954 8.396
140 H LYS 20 H LYS 20 10.296 1.879 5.687
141 HA LYS 20 HA LYS 20 12.609 2.096 7.337
142 HB2 LYS 20 2HB LYS 20 13.171 0.249 6.197
143 HB3 LYS 20 1HB LYS 20 11.736 0.462 5.203
144 HG2 LYS 20 2HG LYS 20 13.436 0.465 3.605
145 HG3 LYS 20 1HG LYS 20 13.201 2.180 3.899
146 HD2 LYS 20 2HD LYS 20 15.495 2.108 4.149
147 HD3 LYS 20 1HD LYS 20 15.039 1.706 5.804
148 HE2 LYS 20 2HE LYS 20 16.619 0.044 5.195
149 HE3 LYS 20 1HE LYS 20 15.051 -0.748 5.033
150 HZ1 LYS 20 1HZ LYS 20 15.276 -0.913 2.830
151 HZ2 LYS 20 2HZ LYS 20 16.931 -0.651 3.111
152 HZ3 LYS 20 3HZ LYS 20 15.927 0.645 2.666
153 H VAL 21 H VAL 21 11.362 3.802 4.604
154 HA VAL 21 HA VAL 21 13.814 5.146 3.943
155 HB VAL 21 HB VAL 21 10.969 5.697 3.172
156 HG11 VAL 21 1HG1 VAL 21 13.580 6.946 2.317
157 HG12 VAL 21 2HG1 VAL 21 12.135 7.759 2.916
158 HG13 VAL 21 3HG1 VAL 21 12.132 7.022 1.314
159 HG21 VAL 21 1HG2 VAL 21 13.257 4.451 1.630
160 HG22 VAL 21 2HG2 VAL 21 11.602 4.653 1.057
161 HG23 VAL 21 3HG2 VAL 21 11.947 3.542 2.383
162 H MET 22 H MET 22 11.422 5.534 6.330
163 HA MET 22 HA MET 22 12.423 8.257 6.938
164 HB2 MET 22 2HB MET 22 10.110 8.398 6.175
165 HB3 MET 22 1HB MET 22 9.629 7.157 7.340
166 HG2 MET 22 2HG MET 22 9.980 8.574 9.185
167 HG3 MET 22 1HG MET 22 11.016 9.673 8.261
168 HE1 MET 22 1HE MET 22 6.499 9.097 7.764
169 HE2 MET 22 2HE MET 22 7.689 7.965 8.397
170 HE3 MET 22 3HE MET 22 7.607 8.266 6.663
171 HN1 NH2 23 HN1 NH2 23 12.232 5.048 8.029
172 HN2 NH2 23 HN2 NH2 23 12.498 5.343 9.679
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -14.571 0.025 -4.114
2 H2 GLY 1 2HT GLY 1 -15.759 -0.984 -4.789
3 H3 GLY 1 3HT GLY 1 -15.886 0.704 -4.943
4 HA2 GLY 1 2HA GLY 1 -15.137 -0.297 -7.014
5 HA3 GLY 1 1HA GLY 1 -13.904 0.765 -6.318
6 H VAL 2 H VAL 2 -14.528 -2.318 -7.512
7 HA VAL 2 HA VAL 2 -12.939 -4.039 -6.025
8 HB VAL 2 HB VAL 2 -13.560 -3.888 -8.971
9 HG11 VAL 2 1HG1 VAL 2 -12.609 -6.291 -8.973
10 HG12 VAL 2 2HG1 VAL 2 -11.753 -5.814 -7.506
11 HG13 VAL 2 3HG1 VAL 2 -11.450 -4.962 -9.021
12 HG21 VAL 2 1HG2 VAL 2 -15.300 -4.543 -7.260
13 HG22 VAL 2 2HG2 VAL 2 -14.289 -5.929 -6.850
14 HG23 VAL 2 3HG2 VAL 2 -14.974 -5.784 -8.469
15 H VAL 3 H VAL 3 -11.899 -2.293 -8.962
16 HA VAL 3 HA VAL 3 -9.195 -2.884 -8.836
17 HB VAL 3 HB VAL 3 -10.529 -0.350 -9.815
18 HG11 VAL 3 1HG1 VAL 3 -7.724 -1.437 -10.116
19 HG12 VAL 3 2HG1 VAL 3 -8.217 0.163 -9.561
20 HG13 VAL 3 3HG1 VAL 3 -8.407 -0.279 -11.257
21 HG21 VAL 3 1HG2 VAL 3 -11.326 -2.391 -10.926
22 HG22 VAL 3 2HG2 VAL 3 -9.663 -2.899 -11.217
23 HG23 VAL 3 3HG2 VAL 3 -10.301 -1.468 -12.026
24 H ASP 4 H ASP 4 -11.019 -0.409 -7.114
25 HA ASP 4 HA ASP 4 -8.758 0.983 -6.074
26 HB2 ASP 4 2HB ASP 4 -10.986 2.009 -6.190
27 HB3 ASP 4 1HB ASP 4 -11.594 0.835 -5.026
28 H ILE 5 H ILE 5 -10.850 -1.586 -4.784
29 HA ILE 5 HA ILE 5 -9.865 -1.752 -2.200
30 HB ILE 5 HB ILE 5 -10.892 -3.876 -4.082
31 HG12 ILE 5 2HG1 ILE 5 -12.062 -2.672 -1.556
32 HG13 ILE 5 1HG1 ILE 5 -12.410 -2.069 -3.175
33 HG21 ILE 5 1HG2 ILE 5 -9.504 -5.130 -2.611
34 HG22 ILE 5 2HG2 ILE 5 -11.115 -5.234 -1.904
35 HG23 ILE 5 3HG2 ILE 5 -9.926 -4.121 -1.228
36 HD11 ILE 5 1HD1 ILE 5 -13.075 -4.783 -2.022
37 HD12 ILE 5 2HD1 ILE 5 -13.120 -4.461 -3.755
38 HD13 ILE 5 3HD1 ILE 5 -14.186 -3.575 -2.666
39 H LEU 6 H LEU 6 -8.481 -3.022 -5.192
40 HA LEU 6 HA LEU 6 -6.480 -4.651 -4.091
41 HB2 LEU 6 2HB LEU 6 -6.011 -3.006 -6.567
42 HB3 LEU 6 1HB LEU 6 -5.494 -4.658 -6.218
43 HG LEU 6 HG LEU 6 -8.291 -3.688 -6.848
44 HD11 LEU 6 1HD1 LEU 6 -6.595 -4.247 -8.682
45 HD12 LEU 6 2HD1 LEU 6 -8.121 -5.127 -8.744
46 HD13 LEU 6 3HD1 LEU 6 -6.677 -5.914 -8.108
47 HD21 LEU 6 1HD2 LEU 6 -8.780 -6.232 -6.568
48 HD22 LEU 6 2HD2 LEU 6 -8.687 -5.240 -5.115
49 HD23 LEU 6 3HD2 LEU 6 -7.318 -6.248 -5.584
50 H LYS 7 H LYS 7 -6.336 -1.247 -5.090
51 HA LYS 7 HA LYS 7 -3.715 -0.677 -4.408
52 HB2 LYS 7 2HB LYS 7 -5.848 1.332 -3.806
53 HB3 LYS 7 1HB LYS 7 -4.291 1.569 -4.561
54 HG2 LYS 7 2HG LYS 7 -6.454 -0.028 -5.930
55 HG3 LYS 7 1HG LYS 7 -6.402 1.726 -6.050
56 HD2 LYS 7 2HD LYS 7 -4.537 1.725 -7.366
57 HD3 LYS 7 1HD LYS 7 -3.833 0.353 -6.519
58 HE2 LYS 7 2HE LYS 7 -5.106 -1.217 -7.760
59 HE3 LYS 7 1HE LYS 7 -6.222 0.024 -8.332
60 HZ1 LYS 7 1HZ LYS 7 -3.563 -0.670 -9.290
61 HZ2 LYS 7 2HZ LYS 7 -3.944 0.985 -9.266
62 HZ3 LYS 7 3HZ LYS 7 -4.912 -0.098 -10.147
63 H GLY 8 H GLY 8 -6.614 -0.522 -2.378
64 HA2 GLY 8 2HA GLY 8 -5.548 0.472 -0.032
65 HA3 GLY 8 1HA GLY 8 -6.866 -0.704 -0.088
66 H ALA 9 H ALA 9 -5.049 -2.622 -1.504
67 HA ALA 9 HA ALA 9 -4.052 -3.951 0.842
68 HB1 ALA 9 1HB ALA 9 -3.451 -4.718 -2.013
69 HB2 ALA 9 2HB ALA 9 -5.011 -5.053 -1.263
70 HB3 ALA 9 3HB ALA 9 -3.543 -5.763 -0.595
71 H ALA 10 H ALA 10 -2.580 -2.372 -1.982
72 HA ALA 10 HA ALA 10 0.114 -2.879 -1.165
73 HB1 ALA 10 1HB ALA 10 0.657 -1.129 -2.890
74 HB2 ALA 10 2HB ALA 10 -1.077 -0.906 -3.126
75 HB3 ALA 10 3HB ALA 10 -0.328 -2.461 -3.494
76 H LYS 11 H LYS 11 -2.204 -0.303 -0.613
77 HA LYS 11 HA LYS 11 -0.486 1.686 0.334
78 HB2 LYS 11 2HB LYS 11 -2.756 2.221 -0.145
79 HB3 LYS 11 1HB LYS 11 -3.308 1.055 1.040
80 HG2 LYS 11 2HG LYS 11 -2.526 2.351 2.870
81 HG3 LYS 11 1HG LYS 11 -1.543 3.370 1.810
82 HD2 LYS 11 2HD LYS 11 -3.597 4.261 0.764
83 HD3 LYS 11 1HD LYS 11 -4.575 3.253 1.832
84 HE2 LYS 11 2HE LYS 11 -2.661 5.436 2.708
85 HE3 LYS 11 1HE LYS 11 -4.422 5.531 2.734
86 HZ1 LYS 11 1HZ LYS 11 -4.467 3.679 4.279
87 HZ2 LYS 11 2HZ LYS 11 -3.532 4.953 4.904
88 HZ3 LYS 11 3HZ LYS 11 -2.774 3.580 4.251
89 H ASP 12 H ASP 12 -2.074 -0.976 2.038
90 HA ASP 12 HA ASP 12 -1.170 -0.268 4.633
91 HB2 ASP 12 2HB ASP 12 -3.048 -1.884 4.026
92 HB3 ASP 12 1HB ASP 12 -1.781 -3.074 3.697
93 H ILE 13 H ILE 13 0.078 -2.546 2.200
94 HA ILE 13 HA ILE 13 2.280 -3.457 3.734
95 HB ILE 13 HB ILE 13 2.006 -3.317 0.722
96 HG12 ILE 13 2HG1 ILE 13 1.410 -5.676 2.521
97 HG13 ILE 13 1HG1 ILE 13 0.159 -4.512 2.067
98 HG21 ILE 13 1HG2 ILE 13 3.578 -5.276 0.848
99 HG22 ILE 13 2HG2 ILE 13 3.763 -4.955 2.573
100 HG23 ILE 13 3HG2 ILE 13 4.294 -3.759 1.391
101 HD11 ILE 13 1HD1 ILE 13 0.377 -5.024 -0.248
102 HD12 ILE 13 2HD1 ILE 13 0.376 -6.585 0.574
103 HD13 ILE 13 3HD1 ILE 13 1.894 -5.887 0.008
104 H ALA 14 H ALA 14 2.113 -1.069 1.087
105 HA ALA 14 HA ALA 14 4.805 -0.241 1.259
106 HB1 ALA 14 1HB ALA 14 4.184 1.563 -0.165
107 HB2 ALA 14 2HB ALA 14 2.503 1.498 0.367
108 HB3 ALA 14 3HB ALA 14 3.163 0.203 -0.634
109 H GLY 15 H GLY 15 2.050 0.456 3.211
110 HA2 GLY 15 2HA GLY 15 2.686 2.978 4.245
111 HA3 GLY 15 1HA GLY 15 1.780 1.735 5.104
112 H HIS 16 H HIS 16 3.372 -0.195 5.750
113 HA HIS 16 HA HIS 16 5.129 0.889 7.709
114 HB2 HIS 16 2HB HIS 16 5.648 -1.415 8.249
115 HB3 HIS 16 1HB HIS 16 3.917 -1.285 7.935
116 HD2 HIS 16 2HD HIS 16 3.033 -3.078 6.027
117 HE1 HIS 16 1HE HIS 16 6.763 -3.940 4.246
118 HE2 HIS 16 2HE HIS 16 4.290 -4.515 4.245
119 H LEU 17 H LEU 17 5.517 0.170 4.398
120 HA LEU 17 HA LEU 17 8.342 -0.388 4.481
121 HB2 LEU 17 2HB LEU 17 6.546 -1.032 2.663
122 HB3 LEU 17 1HB LEU 17 6.914 0.573 2.021
123 HG LEU 17 HG LEU 17 8.316 -1.118 0.944
124 HD11 LEU 17 1HD1 LEU 17 9.115 1.248 1.613
125 HD12 LEU 17 2HD1 LEU 17 10.334 0.071 1.126
126 HD13 LEU 17 3HD1 LEU 17 10.082 0.421 2.835
127 HD21 LEU 17 1HD2 LEU 17 9.505 -2.723 2.063
128 HD22 LEU 17 2HD2 LEU 17 8.322 -2.430 3.335
129 HD23 LEU 17 3HD2 LEU 17 9.903 -1.649 3.403
130 H ALA 18 H ALA 18 6.460 2.319 3.102
131 HA ALA 18 HA ALA 18 8.566 4.054 2.616
132 HB1 ALA 18 1HB ALA 18 6.888 5.870 2.774
133 HB2 ALA 18 2HB ALA 18 5.749 4.732 3.494
134 HB3 ALA 18 3HB ALA 18 6.296 4.500 1.833
135 H SER 19 H SER 19 7.301 3.010 5.616
136 HA SER 19 HA SER 19 7.968 5.248 7.227
137 HB2 SER 19 2HB SER 19 7.440 3.897 9.048
138 HB3 SER 19 1HB SER 19 6.508 3.142 7.758
139 HG SER 19 HG SER 19 7.686 1.427 7.992
140 H LYS 20 H LYS 20 9.708 2.259 6.409
141 HA LYS 20 HA LYS 20 12.006 2.880 7.955
142 HB2 LYS 20 2HB LYS 20 12.448 0.727 7.516
143 HB3 LYS 20 1HB LYS 20 11.054 0.691 6.442
144 HG2 LYS 20 2HG LYS 20 12.822 0.041 5.043
145 HG3 LYS 20 1HG LYS 20 12.633 1.754 4.697
146 HD2 LYS 20 2HD LYS 20 14.868 1.895 5.120
147 HD3 LYS 20 1HD LYS 20 14.395 1.812 6.817
148 HE2 LYS 20 2HE LYS 20 15.396 -0.405 5.036
149 HE3 LYS 20 1HE LYS 20 16.000 0.100 6.614
150 HZ1 LYS 20 1HZ LYS 20 13.251 -0.667 6.702
151 HZ2 LYS 20 2HZ LYS 20 14.556 -1.213 7.642
152 HZ3 LYS 20 3HZ LYS 20 14.234 -1.926 6.133
153 H VAL 21 H VAL 21 10.947 3.662 4.762
154 HA VAL 21 HA VAL 21 13.455 4.447 3.686
155 HB VAL 21 HB VAL 21 10.666 5.269 2.950
156 HG11 VAL 21 1HG1 VAL 21 12.125 6.933 2.060
157 HG12 VAL 21 2HG1 VAL 21 11.821 5.811 0.733
158 HG13 VAL 21 3HG1 VAL 21 13.339 5.731 1.626
159 HG21 VAL 21 1HG2 VAL 21 10.808 3.562 1.267
160 HG22 VAL 21 2HG2 VAL 21 11.315 2.817 2.783
161 HG23 VAL 21 3HG2 VAL 21 12.522 3.306 1.593
162 H MET 22 H MET 22 11.383 5.864 5.986
163 HA MET 22 HA MET 22 12.642 8.517 5.622
164 HB2 MET 22 2HB MET 22 10.099 8.304 5.581
165 HB3 MET 22 1HB MET 22 10.207 7.907 7.302
166 HG2 MET 22 2HG MET 22 11.397 10.036 7.714
167 HG3 MET 22 1HG MET 22 11.264 10.437 5.995
168 HE1 MET 22 1HE MET 22 8.654 12.915 6.778
169 HE2 MET 22 2HE MET 22 9.604 12.259 5.446
170 HE3 MET 22 3HE MET 22 10.390 12.637 6.977
171 HN1 NH2 23 HN1 NH2 23 11.540 6.375 8.320
172 HN2 NH2 23 HN2 NH2 23 12.799 6.823 9.367
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -14.566 -1.479 -4.126
2 H2 GLY 1 2HT GLY 1 -16.072 -1.093 -4.813
3 H3 GLY 1 3HT GLY 1 -14.891 0.113 -4.611
4 HA2 GLY 1 2HA GLY 1 -15.294 -1.627 -6.798
5 HA3 GLY 1 1HA GLY 1 -14.154 -0.281 -6.647
6 H VAL 2 H VAL 2 -14.256 -3.442 -7.334
7 HA VAL 2 HA VAL 2 -12.396 -4.764 -5.757
8 HB VAL 2 HB VAL 2 -13.046 -4.943 -8.697
9 HG11 VAL 2 1HG1 VAL 2 -11.757 -7.173 -8.513
10 HG12 VAL 2 2HG1 VAL 2 -10.984 -6.461 -7.096
11 HG13 VAL 2 3HG1 VAL 2 -10.803 -5.699 -8.677
12 HG21 VAL 2 1HG2 VAL 2 -13.535 -6.763 -6.315
13 HG22 VAL 2 2HG2 VAL 2 -14.060 -7.081 -7.969
14 HG23 VAL 2 3HG2 VAL 2 -14.736 -5.719 -7.076
15 H VAL 3 H VAL 3 -11.680 -3.134 -8.851
16 HA VAL 3 HA VAL 3 -8.914 -3.268 -8.736
17 HB VAL 3 HB VAL 3 -10.569 -1.002 -9.871
18 HG11 VAL 3 1HG1 VAL 3 -8.566 -0.957 -11.478
19 HG12 VAL 3 2HG1 VAL 3 -7.728 -1.950 -10.284
20 HG13 VAL 3 3HG1 VAL 3 -8.285 -0.333 -9.852
21 HG21 VAL 3 1HG2 VAL 3 -10.270 -2.374 -12.002
22 HG22 VAL 3 2HG2 VAL 3 -11.375 -3.058 -10.810
23 HG23 VAL 3 3HG2 VAL 3 -9.740 -3.701 -10.968
24 H ASP 4 H ASP 4 -11.105 -0.978 -7.201
25 HA ASP 4 HA ASP 4 -9.100 0.852 -6.335
26 HB2 ASP 4 2HB ASP 4 -11.538 1.383 -6.514
27 HB3 ASP 4 1HB ASP 4 -11.820 0.355 -5.110
28 H ILE 5 H ILE 5 -10.738 -1.891 -4.774
29 HA ILE 5 HA ILE 5 -9.717 -1.657 -2.210
30 HB ILE 5 HB ILE 5 -10.415 -4.079 -3.869
31 HG12 ILE 5 2HG1 ILE 5 -11.723 -2.888 -1.407
32 HG13 ILE 5 1HG1 ILE 5 -12.175 -2.439 -3.052
33 HG21 ILE 5 1HG2 ILE 5 -8.824 -4.967 -2.341
34 HG22 ILE 5 2HG2 ILE 5 -10.385 -5.253 -1.574
35 HG23 ILE 5 3HG2 ILE 5 -9.371 -3.914 -1.036
36 HD11 ILE 5 1HD1 ILE 5 -12.106 -5.339 -2.246
37 HD12 ILE 5 2HD1 ILE 5 -13.027 -4.568 -3.537
38 HD13 ILE 5 3HD1 ILE 5 -13.508 -4.343 -1.856
39 H LEU 6 H LEU 6 -8.174 -2.975 -5.104
40 HA LEU 6 HA LEU 6 -5.929 -4.152 -3.909
41 HB2 LEU 6 2HB LEU 6 -5.742 -2.681 -6.528
42 HB3 LEU 6 1HB LEU 6 -4.967 -4.194 -6.045
43 HG LEU 6 HG LEU 6 -7.883 -3.738 -6.706
44 HD11 LEU 6 1HD1 LEU 6 -7.480 -5.381 -8.432
45 HD12 LEU 6 2HD1 LEU 6 -5.869 -5.718 -7.801
46 HD13 LEU 6 3HD1 LEU 6 -6.213 -4.160 -8.549
47 HD21 LEU 6 1HD2 LEU 6 -8.028 -5.174 -4.843
48 HD22 LEU 6 2HD2 LEU 6 -6.513 -5.985 -5.235
49 HD23 LEU 6 3HD2 LEU 6 -7.955 -6.296 -6.200
50 H LYS 7 H LYS 7 -6.368 -0.868 -5.174
51 HA LYS 7 HA LYS 7 -3.862 0.176 -4.618
52 HB2 LYS 7 2HB LYS 7 -6.313 1.832 -4.145
53 HB3 LYS 7 1HB LYS 7 -4.813 2.285 -4.914
54 HG2 LYS 7 2HG LYS 7 -6.636 0.231 -6.163
55 HG3 LYS 7 1HG LYS 7 -6.903 1.952 -6.410
56 HD2 LYS 7 2HD LYS 7 -5.072 2.186 -7.747
57 HD3 LYS 7 1HD LYS 7 -4.118 1.065 -6.783
58 HE2 LYS 7 2HE LYS 7 -5.112 -0.842 -7.836
59 HE3 LYS 7 1HE LYS 7 -6.355 0.151 -8.598
60 HZ1 LYS 7 1HZ LYS 7 -4.994 0.252 -10.333
61 HZ2 LYS 7 2HZ LYS 7 -3.689 -0.401 -9.462
62 HZ3 LYS 7 3HZ LYS 7 -4.000 1.268 -9.407
63 H GLY 8 H GLY 8 -6.758 0.295 -2.551
64 HA2 GLY 8 2HA GLY 8 -5.672 1.525 -0.323
65 HA3 GLY 8 1HA GLY 8 -6.980 0.341 -0.255
66 H ALA 9 H ALA 9 -5.178 -1.699 -1.496
67 HA ALA 9 HA ALA 9 -4.131 -2.778 0.956
68 HB1 ALA 9 1HB ALA 9 -3.733 -4.742 -0.254
69 HB2 ALA 9 2HB ALA 9 -3.512 -3.877 -1.775
70 HB3 ALA 9 3HB ALA 9 -5.125 -4.046 -1.084
71 H ALA 10 H ALA 10 -2.814 -1.140 -1.854
72 HA ALA 10 HA ALA 10 -0.084 -1.747 -1.440
73 HB1 ALA 10 1HB ALA 10 0.369 0.140 -2.907
74 HB2 ALA 10 2HB ALA 10 -1.272 0.746 -2.679
75 HB3 ALA 10 3HB ALA 10 -1.003 -0.773 -3.534
76 H LYS 11 H LYS 11 -2.224 0.670 -0.065
77 HA LYS 11 HA LYS 11 -0.289 2.347 1.093
78 HB2 LYS 11 2HB LYS 11 -2.877 2.608 0.838
79 HB3 LYS 11 1HB LYS 11 -2.885 1.853 2.420
80 HG2 LYS 11 2HG LYS 11 -1.176 3.603 3.142
81 HG3 LYS 11 1HG LYS 11 -1.542 4.435 1.625
82 HD2 LYS 11 2HD LYS 11 -3.119 5.477 2.931
83 HD3 LYS 11 1HD LYS 11 -4.064 4.048 2.520
84 HE2 LYS 11 2HE LYS 11 -2.583 4.657 5.073
85 HE3 LYS 11 1HE LYS 11 -4.261 4.161 4.862
86 HZ1 LYS 11 1HZ LYS 11 -1.876 2.468 4.343
87 HZ2 LYS 11 2HZ LYS 11 -3.493 1.990 4.135
88 HZ3 LYS 11 3HZ LYS 11 -2.903 2.346 5.688
89 H ASP 12 H ASP 12 -1.997 -0.483 2.365
90 HA ASP 12 HA ASP 12 -0.827 -0.415 4.946
91 HB2 ASP 12 2HB ASP 12 -2.894 -1.700 4.261
92 HB3 ASP 12 1HB ASP 12 -1.817 -2.872 3.490
93 H ILE 13 H ILE 13 -0.044 -2.346 2.050
94 HA ILE 13 HA ILE 13 2.184 -3.684 3.138
95 HB ILE 13 HB ILE 13 1.684 -2.911 0.254
96 HG12 ILE 13 2HG1 ILE 13 1.042 -5.548 1.587
97 HG13 ILE 13 1HG1 ILE 13 -0.134 -4.230 1.535
98 HG21 ILE 13 1HG2 ILE 13 3.474 -4.959 1.585
99 HG22 ILE 13 2HG2 ILE 13 3.957 -3.639 0.519
100 HG23 ILE 13 3HG2 ILE 13 3.061 -5.013 -0.129
101 HD11 ILE 13 1HD1 ILE 13 -0.142 -4.217 -0.863
102 HD12 ILE 13 2HD1 ILE 13 -0.304 -5.902 -0.371
103 HD13 ILE 13 3HD1 ILE 13 1.252 -5.294 -0.936
104 H ALA 14 H ALA 14 2.060 -0.801 1.040
105 HA ALA 14 HA ALA 14 4.860 -0.266 1.289
106 HB1 ALA 14 1HB ALA 14 3.476 0.480 -0.645
107 HB2 ALA 14 2HB ALA 14 4.369 1.801 0.109
108 HB3 ALA 14 3HB ALA 14 2.644 1.608 0.424
109 H GLY 15 H GLY 15 2.078 0.431 3.191
110 HA2 GLY 15 2HA GLY 15 2.801 2.797 4.486
111 HA3 GLY 15 1HA GLY 15 1.808 1.528 5.194
112 H HIS 16 H HIS 16 3.380 -0.556 5.597
113 HA HIS 16 HA HIS 16 5.066 0.275 7.753
114 HB2 HIS 16 2HB HIS 16 5.347 -2.022 8.219
115 HB3 HIS 16 1HB HIS 16 3.714 -1.898 7.566
116 HD2 HIS 16 2HD HIS 16 3.313 -3.231 5.126
117 HE1 HIS 16 1HE HIS 16 7.282 -4.586 4.639
118 HE2 HIS 16 2HE HIS 16 4.916 -4.748 3.729
119 H LEU 17 H LEU 17 5.579 -0.448 4.401
120 HA LEU 17 HA LEU 17 8.401 -0.937 4.615
121 HB2 LEU 17 2HB LEU 17 6.706 -1.613 2.718
122 HB3 LEU 17 1HB LEU 17 7.064 0.002 2.093
123 HG LEU 17 HG LEU 17 8.544 -1.664 1.075
124 HD11 LEU 17 1HD1 LEU 17 10.212 -0.084 3.016
125 HD12 LEU 17 2HD1 LEU 17 9.258 0.727 1.773
126 HD13 LEU 17 3HD1 LEU 17 10.516 -0.419 1.312
127 HD21 LEU 17 1HD2 LEU 17 9.742 -3.226 2.246
128 HD22 LEU 17 2HD2 LEU 17 8.490 -2.972 3.461
129 HD23 LEU 17 3HD2 LEU 17 10.039 -2.141 3.603
130 H ALA 18 H ALA 18 6.528 1.753 3.198
131 HA ALA 18 HA ALA 18 8.613 3.518 2.755
132 HB1 ALA 18 1HB ALA 18 6.288 3.887 1.993
133 HB2 ALA 18 2HB ALA 18 6.936 5.298 2.830
134 HB3 ALA 18 3HB ALA 18 5.810 4.223 3.658
135 H SER 19 H SER 19 7.375 2.406 5.735
136 HA SER 19 HA SER 19 7.882 4.608 7.414
137 HB2 SER 19 2HB SER 19 7.653 3.110 9.206
138 HB3 SER 19 1HB SER 19 6.692 2.363 7.932
139 HG SER 19 HG SER 19 8.600 1.237 9.228
140 H LYS 20 H LYS 20 9.954 1.889 6.435
141 HA LYS 20 HA LYS 20 12.211 2.813 7.910
142 HB2 LYS 20 2HB LYS 20 12.900 0.719 7.509
143 HB3 LYS 20 1HB LYS 20 11.483 0.476 6.494
144 HG2 LYS 20 2HG LYS 20 13.240 0.011 5.022
145 HG3 LYS 20 1HG LYS 20 12.878 1.694 4.668
146 HD2 LYS 20 2HD LYS 20 15.150 1.926 4.951
147 HD3 LYS 20 1HD LYS 20 14.684 2.057 6.646
148 HE2 LYS 20 2HE LYS 20 15.055 -0.362 6.943
149 HE3 LYS 20 1HE LYS 20 15.514 -0.501 5.245
150 HZ1 LYS 20 1HZ LYS 20 16.967 1.571 6.534
151 HZ2 LYS 20 2HZ LYS 20 17.547 0.207 5.703
152 HZ3 LYS 20 3HZ LYS 20 17.169 0.102 7.357
153 H VAL 21 H VAL 21 10.939 3.353 4.742
154 HA VAL 21 HA VAL 21 13.334 4.543 3.674
155 HB VAL 21 HB VAL 21 10.584 4.946 2.578
156 HG11 VAL 21 1HG1 VAL 21 13.270 4.536 1.245
157 HG12 VAL 21 2HG1 VAL 21 12.562 6.116 1.581
158 HG13 VAL 21 3HG1 VAL 21 11.765 5.013 0.459
159 HG21 VAL 21 1HG2 VAL 21 12.343 2.492 2.332
160 HG22 VAL 21 2HG2 VAL 21 10.920 2.804 1.336
161 HG23 VAL 21 3HG2 VAL 21 10.745 2.563 3.074
162 H MET 22 H MET 22 10.798 5.565 5.700
163 HA MET 22 HA MET 22 10.647 8.309 5.011
164 HB2 MET 22 2HB MET 22 9.039 7.004 6.487
165 HB3 MET 22 1HB MET 22 10.242 7.157 7.776
166 HG2 MET 22 2HG MET 22 10.156 9.729 7.057
167 HG3 MET 22 1HG MET 22 8.539 9.267 6.502
168 HE1 MET 22 1HE MET 22 7.275 7.429 7.963
169 HE2 MET 22 2HE MET 22 6.483 8.996 8.097
170 HE3 MET 22 3HE MET 22 6.706 8.005 9.536
171 HN1 NH2 23 HN1 NH2 23 12.300 6.921 7.909
172 HN2 NH2 23 HN2 NH2 23 13.533 8.087 7.933