Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
630483 | 6cov RC | 30434 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 HT1 GLU 1 7.022 -6.785 -2.283
2 H2 GLU 1 HT2 GLU 1 6.202 -8.204 -1.837
3 H3 GLU 1 HT3 GLU 1 5.338 -6.759 -2.060
4 HA GLU 1 HA GLU 1 6.913 -7.903 -4.245
5 HB2 GLU 1 HB2 GLU 1 4.283 -8.872 -3.103
6 HB3 GLU 1 HB1 GLU 1 4.393 -8.770 -4.895
7 HG2 GLU 1 HG2 GLU 1 6.496 -10.260 -3.193
8 HG3 GLU 1 HG1 GLU 1 5.013 -11.058 -3.854
9 H MET 2 HN MET 2 7.218 -5.742 -5.053
10 HA MET 2 HA MET 2 4.760 -4.673 -6.224
11 HB2 MET 2 HB2 MET 2 6.491 -3.200 -4.235
12 HB3 MET 2 HB1 MET 2 6.076 -2.309 -5.756
13 HG2 MET 2 HG2 MET 2 3.828 -2.205 -5.282
14 HG3 MET 2 HG1 MET 2 3.809 -3.734 -4.339
15 HE1 MET 2 HE1 MET 2 5.781 -3.664 -2.028
16 HE2 MET 2 HE2 MET 2 4.041 -4.103 -2.134
17 HE3 MET 2 HE3 MET 2 4.615 -3.014 -0.823
18 H ARG 3 HN ARG 3 5.229 -2.902 -7.455
19 HA ARG 3 HA ARG 3 7.338 -3.475 -9.258
20 HB2 ARG 3 HB2 ARG 3 4.494 -2.719 -9.395
21 HB3 ARG 3 HB1 ARG 3 5.505 -1.679 -10.430
22 HG2 ARG 3 HG2 ARG 3 6.350 -3.432 -11.636
23 HG3 ARG 3 HG1 ARG 3 5.803 -4.661 -10.424
24 HD2 ARG 3 HD2 ARG 3 3.388 -3.990 -10.975
25 HD3 ARG 3 HD1 ARG 3 4.048 -2.986 -12.335
26 HE ARG 3 HE ARG 3 3.976 -5.965 -12.199
27 HH11 ARG 3 HH11 ARG 3 5.220 -3.006 -13.756
28 HH12 ARG 3 HH12 ARG 3 5.640 -3.785 -15.244
29 HH21 ARG 3 HH21 ARG 3 4.547 -7.016 -14.222
30 HH22 ARG 3 HH22 ARG 3 5.250 -6.101 -15.513
31 H ILE 4 HN ILE 4 6.885 -1.015 -10.457
32 HA ILE 4 HA ILE 4 8.737 0.534 -9.926
33 HB ILE 4 HB ILE 4 6.919 2.426 -10.226
34 HG12 ILE 4 HG12 ILE 4 4.911 1.552 -11.312
35 HG13 ILE 4 HG11 ILE 4 5.540 -0.124 -11.254
36 HG21 ILE 4 HG21 ILE 4 8.702 1.858 -11.852
37 HG22 ILE 4 HG22 ILE 4 7.118 1.931 -12.714
38 HG23 ILE 4 HG23 ILE 4 7.846 0.332 -12.297
39 HD11 ILE 4 HD11 ILE 4 5.198 -0.305 -8.842
40 HD12 ILE 4 HD12 ILE 4 3.730 0.549 -9.470
41 HD13 ILE 4 HD13 ILE 4 5.050 1.492 -8.683
42 H SER 5 HN SER 5 6.362 -0.033 -7.655
43 HA SER 5 HA SER 5 6.210 2.302 -6.265
44 HB2 SER 5 HB2 SER 5 6.200 -0.551 -5.398
45 HB3 SER 5 HB1 SER 5 5.694 0.813 -4.318
46 HG SER 5 HG SER 5 3.812 0.616 -5.180
47 H ARG 6 HN ARG 6 8.191 -0.411 -6.388
48 HA ARG 6 HA ARG 6 9.669 -0.018 -4.048
49 HB2 ARG 6 HB2 ARG 6 10.807 -1.961 -4.850
50 HB3 ARG 6 HB1 ARG 6 9.080 -2.128 -5.390
51 HG2 ARG 6 HG2 ARG 6 9.804 -0.835 -7.480
52 HG3 ARG 6 HG1 ARG 6 11.497 -1.314 -7.010
53 HD2 ARG 6 HD2 ARG 6 9.135 -3.237 -7.256
54 HD3 ARG 6 HD1 ARG 6 10.364 -2.945 -8.571
55 HE ARG 6 HE ARG 6 11.700 -3.561 -6.071
56 HH11 ARG 6 HH11 ARG 6 9.729 -5.026 -8.653
57 HH12 ARG 6 HH12 ARG 6 10.415 -6.609 -8.493
58 HH21 ARG 6 HH21 ARG 6 12.632 -5.718 -5.853
59 HH22 ARG 6 HH22 ARG 6 12.092 -7.008 -6.873
60 H ILE 7 HN ILE 7 9.455 1.174 -7.210
61 HA ILE 7 HA ILE 7 12.181 1.868 -7.270
62 HB ILE 7 HB ILE 7 9.960 2.015 -9.223
63 HG12 ILE 7 HG12 ILE 7 12.592 0.557 -9.494
64 HG13 ILE 7 HG11 ILE 7 11.429 0.001 -8.246
65 HG21 ILE 7 HG21 ILE 7 11.786 2.775 -10.858
66 HG22 ILE 7 HG22 ILE 7 12.847 3.072 -9.429
67 HG23 ILE 7 HG23 ILE 7 11.316 4.010 -9.627
68 HD11 ILE 7 HD11 ILE 7 10.276 0.488 -10.982
69 HD12 ILE 7 HD12 ILE 7 9.919 -0.801 -9.760
70 HD13 ILE 7 HD13 ILE 7 11.391 -0.927 -10.817
71 H ILE 8 HN ILE 8 9.192 3.052 -6.516
72 HA ILE 8 HA ILE 8 10.003 5.804 -6.794
73 HB ILE 8 HB ILE 8 7.988 4.695 -4.900
74 HG12 ILE 8 HG12 ILE 8 7.367 3.582 -6.786
75 HG13 ILE 8 HG11 ILE 8 6.295 5.023 -6.837
76 HG21 ILE 8 HG21 ILE 8 8.877 7.295 -5.347
77 HG22 ILE 8 HG22 ILE 8 7.233 6.901 -4.713
78 HG23 ILE 8 HG23 ILE 8 7.464 7.241 -6.471
79 HD11 ILE 8 HD11 ILE 8 8.007 6.083 -8.446
80 HD12 ILE 8 HD12 ILE 8 7.159 4.618 -9.085
81 HD13 ILE 8 HD13 ILE 8 8.851 4.483 -8.468
82 H LEU 9 HN LEU 9 9.669 3.313 -4.653
83 HA LEU 9 HA LEU 9 10.457 4.424 -2.330
84 HB2 LEU 9 HB2 LEU 9 10.173 1.965 -3.728
85 HB3 LEU 9 HB1 LEU 9 11.434 1.895 -2.454
86 HG LEU 9 HG LEU 9 8.677 2.962 -1.783
87 HD11 LEU 9 HD11 LEU 9 8.018 0.546 -1.191
88 HD12 LEU 9 HD12 LEU 9 9.446 0.001 -2.153
89 HD13 LEU 9 HD13 LEU 9 8.110 0.899 -2.957
90 HD21 LEU 9 HD21 LEU 9 10.102 1.095 0.050
91 HD22 LEU 9 HD22 LEU 9 9.450 2.752 0.354
92 HD23 LEU 9 HD23 LEU 9 11.083 2.544 -0.413
93 H ASP 10 HN ASP 10 12.122 3.304 -5.061
94 HA ASP 10 HA ASP 10 14.498 3.367 -3.581
95 HB2 ASP 10 HB2 ASP 10 13.498 3.096 -6.308
96 HB3 ASP 10 HB1 ASP 10 15.153 3.797 -6.228
97 H PHE 11 HN PHE 11 12.420 5.546 -5.320
98 HA PHE 11 HA PHE 11 14.461 7.559 -5.436
99 HB2 PHE 11 HB2 PHE 11 11.530 7.492 -6.092
100 HB3 PHE 11 HB1 PHE 11 12.647 8.874 -6.537
101 HD1 PHE 11 HD1 PHE 11 11.233 7.508 -8.656
102 HD2 PHE 11 HD2 PHE 11 14.806 6.408 -6.677
103 HE1 PHE 11 HE1 PHE 11 11.850 6.003 -10.435
104 HE2 PHE 11 HE2 PHE 11 15.351 4.957 -8.253
105 HZ PHE 11 HZ PHE 11 13.958 4.702 -10.334
106 H LEU 12 HN LEU 12 12.576 6.231 -3.298
107 HA LEU 12 HA LEU 12 11.925 8.634 -2.043
108 HB2 LEU 12 HB2 LEU 12 11.487 5.762 -1.672
109 HB3 LEU 12 HB1 LEU 12 11.051 6.924 -0.348
110 HG LEU 12 HG LEU 12 10.216 7.087 -3.191
111 HD11 LEU 12 HD11 LEU 12 8.766 5.440 -2.829
112 HD12 LEU 12 HD12 LEU 12 7.982 6.408 -1.513
113 HD13 LEU 12 HD13 LEU 12 9.363 5.296 -1.140
114 HD21 LEU 12 HD21 LEU 12 9.935 8.833 -0.850
115 HD22 LEU 12 HD22 LEU 12 8.354 8.505 -1.669
116 HD23 LEU 12 HD23 LEU 12 9.739 9.197 -2.606
117 H PHE 13 HN PHE 13 13.876 5.787 -1.827
118 HA PHE 13 HA PHE 13 15.269 7.054 0.442
119 HB2 PHE 13 HB2 PHE 13 14.594 4.130 0.143
120 HB3 PHE 13 HB1 PHE 13 15.281 4.928 1.631
121 HD1 PHE 13 HD1 PHE 13 12.705 4.068 -0.407
122 HD2 PHE 13 HD2 PHE 13 13.644 6.460 2.883
123 HE1 PHE 13 HE1 PHE 13 10.539 4.364 -0.133
124 HE2 PHE 13 HE2 PHE 13 11.257 6.744 3.312
125 HZ PHE 13 HZ PHE 13 9.599 5.663 1.813
126 H DLE 14 HN DLE 14 15.205 4.977 -2.416
127 HA DLE 14 HA DLE 14 18.062 4.776 -2.095
128 HB2 DLE 14 HB2 DLE 14 18.298 4.041 -4.402
129 HB3 DLE 14 HB1 DLE 14 16.514 4.290 -4.610
130 HG DLE 14 HG DLE 14 16.909 6.569 -3.687
131 HD11 DLE 14 HD11 DLE 14 19.383 5.550 -3.168
132 HD12 DLE 14 HD12 DLE 14 19.000 7.323 -3.239
133 HD13 DLE 14 HD13 DLE 14 19.731 6.503 -4.677
134 HD21 DLE 14 HD21 DLE 14 16.743 5.557 -6.222
135 HD22 DLE 14 HD22 DLE 14 18.244 6.565 -6.350
136 HD23 DLE 14 HD23 DLE 14 16.684 7.310 -5.805
137 H ARG 15 HN ARG 15 15.676 3.462 -1.103
138 HA ARG 15 HA ARG 15 15.485 1.506 -0.277
139 HB2 ARG 15 HB2 ARG 15 15.819 0.902 -3.220
140 HB3 ARG 15 HB1 ARG 15 15.256 -0.357 -2.042
141 HG2 ARG 15 HG2 ARG 15 13.952 2.381 -1.925
142 HG3 ARG 15 HG1 ARG 15 13.523 1.308 -3.322
143 HD2 ARG 15 HD2 ARG 15 13.617 0.111 -0.507
144 HD3 ARG 15 HD1 ARG 15 12.181 1.103 -0.997
145 HE ARG 15 HE ARG 15 12.625 -0.628 -3.153
146 HH11 ARG 15 HH11 ARG 15 12.036 -0.907 0.353
147 HH12 ARG 15 HH12 ARG 15 11.233 -2.440 0.258
148 HH21 ARG 15 HH21 ARG 15 11.533 -2.727 -3.278
149 HH22 ARG 15 HH22 ARG 15 10.944 -3.490 -1.841
150 H LYS 16 HN LYS 16 17.839 2.727 -0.367
151 HA LYS 16 HA LYS 16 19.913 0.739 -0.625
152 HB2 LYS 16 HB2 LYS 16 21.472 2.698 -0.480
153 HB3 LYS 16 HB1 LYS 16 20.306 2.833 -1.856
154 HG2 LYS 16 HG2 LYS 16 18.845 4.271 -0.539
155 HG3 LYS 16 HG1 LYS 16 19.912 4.121 0.895
156 HD2 LYS 16 HD2 LYS 16 21.632 5.436 -0.099
157 HD3 LYS 16 HD1 LYS 16 20.998 5.186 -1.764
158 HE2 LYS 16 HE2 LYS 16 19.015 6.624 -1.267
159 HE3 LYS 16 HE1 LYS 16 19.573 6.828 0.446
160 HZ1 LYS 16 HZ1 LYS 16 21.631 7.808 -0.464
161 HZ2 LYS 16 HZ2 LYS 16 20.230 8.692 -0.839
162 HZ3 LYS 16 HZ3 LYS 16 20.968 7.727 -2.025
163 H LYS 17 HN LYS 17 17.791 2.208 1.550
164 HA LYS 17 HA LYS 17 19.568 1.409 3.681
165 HB2 LYS 17 HB2 LYS 17 17.666 3.778 3.954
166 HB3 LYS 17 HB1 LYS 17 18.952 3.267 5.104
167 HG2 LYS 17 HG2 LYS 17 20.483 3.661 2.864
168 HG3 LYS 17 HG1 LYS 17 19.151 4.823 2.530
169 HD2 LYS 17 HD2 LYS 17 19.498 5.868 4.794
170 HD3 LYS 17 HD1 LYS 17 20.854 4.729 5.098
171 HE2 LYS 17 HE2 LYS 17 21.905 6.770 4.361
172 HE3 LYS 17 HE1 LYS 17 21.922 5.700 2.897
173 HZ1 LYS 17 HZ1 LYS 17 21.024 8.182 2.914
174 HZ2 LYS 17 HZ2 LYS 17 19.571 7.376 3.263
175 HZ3 LYS 17 HZ3 LYS 17 20.444 6.982 1.860
Start of MODEL 2
1 H1 GLU 1 HT1 GLU 1 6.144 -8.470 -9.310
2 H2 GLU 1 HT2 GLU 1 5.851 -8.183 -7.660
3 H3 GLU 1 HT3 GLU 1 6.188 -9.756 -8.203
4 HA GLU 1 HA GLU 1 8.247 -9.362 -7.588
5 HB2 GLU 1 HB2 GLU 1 8.030 -7.592 -10.086
6 HB3 GLU 1 HB1 GLU 1 9.604 -7.971 -9.300
7 HG2 GLU 1 HG2 GLU 1 9.300 -10.395 -9.725
8 HG3 GLU 1 HG1 GLU 1 7.643 -10.103 -10.389
9 H MET 2 HN MET 2 6.735 -6.169 -8.436
10 HA MET 2 HA MET 2 7.697 -5.135 -5.912
11 HB2 MET 2 HB2 MET 2 8.213 -2.816 -7.307
12 HB3 MET 2 HB1 MET 2 9.540 -4.023 -6.916
13 HG2 MET 2 HG2 MET 2 8.576 -5.117 -9.294
14 HG3 MET 2 HG1 MET 2 8.286 -3.376 -9.561
15 HE1 MET 2 HE1 MET 2 10.201 -5.295 -11.338
16 HE2 MET 2 HE2 MET 2 11.380 -3.995 -11.730
17 HE3 MET 2 HE3 MET 2 9.628 -3.611 -11.600
18 H ARG 3 HN ARG 3 7.071 -3.303 -5.372
19 HA ARG 3 HA ARG 3 4.696 -2.576 -6.660
20 HB2 ARG 3 HB2 ARG 3 5.524 -2.630 -3.867
21 HB3 ARG 3 HB1 ARG 3 4.699 -1.085 -4.395
22 HG2 ARG 3 HG2 ARG 3 2.859 -2.504 -3.965
23 HG3 ARG 3 HG1 ARG 3 3.161 -2.618 -5.754
24 HD2 ARG 3 HD2 ARG 3 4.134 -4.776 -5.599
25 HD3 ARG 3 HD1 ARG 3 4.351 -4.683 -3.792
26 HE ARG 3 HE ARG 3 1.848 -5.334 -5.252
27 HH11 ARG 3 HH11 ARG 3 3.380 -4.229 -2.226
28 HH12 ARG 3 HH12 ARG 3 2.065 -4.710 -1.207
29 HH21 ARG 3 HH21 ARG 3 0.064 -5.983 -3.864
30 HH22 ARG 3 HH22 ARG 3 0.149 -5.724 -2.153
31 H ILE 4 HN ILE 4 4.730 -1.145 -7.857
32 HA ILE 4 HA ILE 4 6.917 -0.039 -8.790
33 HB ILE 4 HB ILE 4 4.387 1.395 -8.911
34 HG12 ILE 4 HG12 ILE 4 3.498 -0.808 -9.005
35 HG13 ILE 4 HG11 ILE 4 3.785 -0.426 -10.748
36 HG21 ILE 4 HG21 ILE 4 6.242 2.333 -10.151
37 HG22 ILE 4 HG22 ILE 4 5.122 1.574 -11.352
38 HG23 ILE 4 HG23 ILE 4 6.646 0.730 -10.879
39 HD11 ILE 4 HD11 ILE 4 5.031 -2.369 -10.871
40 HD12 ILE 4 HD12 ILE 4 4.942 -2.590 -9.072
41 HD13 ILE 4 HD13 ILE 4 6.269 -1.594 -9.796
42 H SER 5 HN SER 5 5.582 0.520 -5.998
43 HA SER 5 HA SER 5 5.943 3.229 -5.851
44 HB2 SER 5 HB2 SER 5 5.184 1.107 -3.902
45 HB3 SER 5 HB1 SER 5 5.243 2.870 -3.445
46 HG SER 5 HG SER 5 3.475 3.250 -4.584
47 H ARG 6 HN ARG 6 7.141 0.309 -4.863
48 HA ARG 6 HA ARG 6 8.790 1.278 -2.804
49 HB2 ARG 6 HB2 ARG 6 9.124 -0.969 -2.448
50 HB3 ARG 6 HB1 ARG 6 7.604 -1.025 -3.451
51 HG2 ARG 6 HG2 ARG 6 8.999 -1.086 -5.467
52 HG3 ARG 6 HG1 ARG 6 10.451 -1.384 -4.431
53 HD2 ARG 6 HD2 ARG 6 7.867 -2.963 -4.101
54 HD3 ARG 6 HD1 ARG 6 9.175 -3.489 -5.250
55 HE ARG 6 HE ARG 6 10.295 -2.899 -2.642
56 HH11 ARG 6 HH11 ARG 6 8.376 -5.304 -4.442
57 HH12 ARG 6 HH12 ARG 6 8.867 -6.649 -3.470
58 HH21 ARG 6 HH21 ARG 6 10.964 -4.736 -1.325
59 HH22 ARG 6 HH22 ARG 6 10.357 -6.321 -1.670
60 H ILE 7 HN ILE 7 8.633 1.204 -6.117
61 HA ILE 7 HA ILE 7 11.385 1.008 -6.566
62 HB ILE 7 HB ILE 7 8.982 1.492 -8.232
63 HG12 ILE 7 HG12 ILE 7 10.864 -0.873 -8.160
64 HG13 ILE 7 HG11 ILE 7 9.493 -0.666 -7.010
65 HG21 ILE 7 HG21 ILE 7 10.610 1.053 -10.194
66 HG22 ILE 7 HG22 ILE 7 11.953 1.319 -9.020
67 HG23 ILE 7 HG23 ILE 7 10.787 2.651 -9.376
68 HD11 ILE 7 HD11 ILE 7 8.494 -0.052 -9.644
69 HD12 ILE 7 HD12 ILE 7 8.036 -1.409 -8.549
70 HD13 ILE 7 HD13 ILE 7 9.378 -1.623 -9.751
71 H ILE 8 HN ILE 8 8.925 3.237 -6.127
72 HA ILE 8 HA ILE 8 10.421 5.405 -7.288
73 HB ILE 8 HB ILE 8 8.350 5.535 -5.150
74 HG12 ILE 8 HG12 ILE 8 7.370 4.026 -6.567
75 HG13 ILE 8 HG11 ILE 8 6.629 5.590 -7.069
76 HG21 ILE 8 HG21 ILE 8 9.813 7.524 -6.389
77 HG22 ILE 8 HG22 ILE 8 8.137 7.794 -5.770
78 HG23 ILE 8 HG23 ILE 8 8.409 7.451 -7.521
79 HD11 ILE 8 HD11 ILE 8 8.475 5.628 -8.927
80 HD12 ILE 8 HD12 ILE 8 7.157 4.388 -9.089
81 HD13 ILE 8 HD13 ILE 8 8.782 3.905 -8.458
82 H LEU 9 HN LEU 9 9.604 3.947 -4.422
83 HA LEU 9 HA LEU 9 10.892 5.476 -2.629
84 HB2 LEU 9 HB2 LEU 9 9.797 2.903 -3.075
85 HB3 LEU 9 HB1 LEU 9 11.140 2.874 -1.882
86 HG LEU 9 HG LEU 9 9.050 4.968 -1.439
87 HD11 LEU 9 HD11 LEU 9 7.625 3.092 -2.229
88 HD12 LEU 9 HD12 LEU 9 7.419 3.337 -0.455
89 HD13 LEU 9 HD13 LEU 9 8.427 1.971 -1.073
90 HD21 LEU 9 HD21 LEU 9 9.804 4.765 0.726
91 HD22 LEU 9 HD22 LEU 9 11.192 3.903 -0.061
92 HD23 LEU 9 HD23 LEU 9 9.825 2.959 0.660
93 H ASP 10 HN ASP 10 11.899 3.078 -4.787
94 HA ASP 10 HA ASP 10 14.308 2.802 -3.418
95 HB2 ASP 10 HB2 ASP 10 12.969 2.119 -5.932
96 HB3 ASP 10 HB1 ASP 10 14.747 2.229 -6.112
97 H PHE 11 HN PHE 11 12.846 4.910 -5.765
98 HA PHE 11 HA PHE 11 15.368 6.070 -6.498
99 HB2 PHE 11 HB2 PHE 11 12.501 6.656 -7.183
100 HB3 PHE 11 HB1 PHE 11 13.933 7.407 -8.044
101 HD1 PHE 11 HD1 PHE 11 11.987 5.908 -9.587
102 HD2 PHE 11 HD2 PHE 11 15.255 4.537 -7.312
103 HE1 PHE 11 HE1 PHE 11 11.986 3.783 -10.727
104 HE2 PHE 11 HE2 PHE 11 15.234 2.541 -8.270
105 HZ PHE 11 HZ PHE 11 13.641 2.026 -10.154
106 H LEU 12 HN LEU 12 13.303 6.166 -4.114
107 HA LEU 12 HA LEU 12 13.397 8.931 -3.825
108 HB2 LEU 12 HB2 LEU 12 12.260 6.599 -2.479
109 HB3 LEU 12 HB1 LEU 12 12.226 8.210 -1.642
110 HG LEU 12 HG LEU 12 11.252 7.600 -4.384
111 HD11 LEU 12 HD11 LEU 12 10.107 6.958 -1.848
112 HD12 LEU 12 HD12 LEU 12 9.446 6.656 -3.493
113 HD13 LEU 12 HD13 LEU 12 9.052 8.201 -2.633
114 HD21 LEU 12 HD21 LEU 12 11.440 9.828 -4.599
115 HD22 LEU 12 HD22 LEU 12 11.575 10.075 -2.815
116 HD23 LEU 12 HD23 LEU 12 9.945 9.909 -3.584
117 H PHE 13 HN PHE 13 14.526 5.980 -2.509
118 HA PHE 13 HA PHE 13 16.255 7.543 -0.718
119 HB2 PHE 13 HB2 PHE 13 14.917 4.912 -0.139
120 HB3 PHE 13 HB1 PHE 13 15.766 5.975 1.076
121 HD1 PHE 13 HD1 PHE 13 13.020 5.037 -0.671
122 HD2 PHE 13 HD2 PHE 13 14.559 8.214 1.563
123 HE1 PHE 13 HE1 PHE 13 10.964 5.889 -0.646
124 HE2 PHE 13 HE2 PHE 13 12.309 9.150 1.722
125 HZ PHE 13 HZ PHE 13 10.411 7.985 0.633
126 H DLE 14 HN DLE 14 15.639 4.752 -2.743
127 HA DLE 14 HA DLE 14 18.280 3.975 -2.042
128 HB2 DLE 14 HB2 DLE 14 17.712 4.694 -4.572
129 HB3 DLE 14 HB1 DLE 14 19.049 3.593 -4.084
130 HG DLE 14 HG DLE 14 16.343 2.404 -4.505
131 HD11 DLE 14 HD11 DLE 14 18.097 3.216 -6.873
132 HD12 DLE 14 HD12 DLE 14 16.718 4.216 -6.259
133 HD13 DLE 14 HD13 DLE 14 16.428 2.544 -6.878
134 HD21 DLE 14 HD21 DLE 14 17.522 0.504 -4.617
135 HD22 DLE 14 HD22 DLE 14 18.955 1.461 -4.093
136 HD23 DLE 14 HD23 DLE 14 18.660 1.170 -5.858
137 H ARG 15 HN ARG 15 15.504 3.563 -1.155
138 HA ARG 15 HA ARG 15 14.809 1.976 0.230
139 HB2 ARG 15 HB2 ARG 15 15.014 0.586 -2.433
140 HB3 ARG 15 HB1 ARG 15 14.304 -0.250 -0.999
141 HG2 ARG 15 HG2 ARG 15 13.424 2.588 -1.598
142 HG3 ARG 15 HG1 ARG 15 12.781 1.256 -2.645
143 HD2 ARG 15 HD2 ARG 15 12.776 1.032 0.424
144 HD3 ARG 15 HD1 ARG 15 11.424 1.855 -0.466
145 HE ARG 15 HE ARG 15 11.840 -0.579 -1.809
146 HH11 ARG 15 HH11 ARG 15 11.036 0.536 1.479
147 HH12 ARG 15 HH12 ARG 15 10.091 -0.853 1.895
148 HH21 ARG 15 HH21 ARG 15 10.545 -2.483 -1.236
149 HH22 ARG 15 HH22 ARG 15 9.807 -2.596 0.325
150 H LYS 16 HN LYS 16 17.373 2.576 0.056
151 HA LYS 16 HA LYS 16 18.839 0.146 0.715
152 HB2 LYS 16 HB2 LYS 16 20.873 1.328 0.031
153 HB3 LYS 16 HB1 LYS 16 19.657 1.532 -1.287
154 HG2 LYS 16 HG2 LYS 16 19.006 3.756 -0.292
155 HG3 LYS 16 HG1 LYS 16 20.330 3.581 0.910
156 HD2 LYS 16 HD2 LYS 16 21.994 3.987 -0.662
157 HD3 LYS 16 HD1 LYS 16 21.075 3.226 -2.006
158 HE2 LYS 16 HE2 LYS 16 19.649 5.223 -2.270
159 HE3 LYS 16 HE1 LYS 16 20.330 5.966 -0.762
160 HZ1 LYS 16 HZ1 LYS 16 21.215 6.473 -3.199
161 HZ2 LYS 16 HZ2 LYS 16 22.252 5.185 -2.812
162 HZ3 LYS 16 HZ3 LYS 16 22.194 6.558 -1.813
163 H LYS 17 HN LYS 17 17.051 2.538 2.042
164 HA LYS 17 HA LYS 17 18.860 2.653 4.306
165 HB2 LYS 17 HB2 LYS 17 17.092 4.984 3.416
166 HB3 LYS 17 HB1 LYS 17 18.319 4.994 4.736
167 HG2 LYS 17 HG2 LYS 17 20.084 4.457 2.943
168 HG3 LYS 17 HG1 LYS 17 18.809 4.756 1.714
169 HD2 LYS 17 HD2 LYS 17 19.692 6.800 3.851
170 HD3 LYS 17 HD1 LYS 17 20.316 6.752 2.167
171 HE2 LYS 17 HE2 LYS 17 17.967 7.121 1.303
172 HE3 LYS 17 HE1 LYS 17 17.376 7.227 3.014
173 HZ1 LYS 17 HZ1 LYS 17 19.568 8.921 2.766
174 HZ2 LYS 17 HZ2 LYS 17 17.932 9.325 2.978
175 HZ3 LYS 17 HZ3 LYS 17 18.579 9.198 1.413
Start of MODEL 3
1 H1 GLU 1 HT1 GLU 1 7.088 -7.937 -5.588
2 H2 GLU 1 HT2 GLU 1 7.005 -9.323 -4.609
3 H3 GLU 1 HT3 GLU 1 8.043 -8.048 -4.187
4 HA GLU 1 HA GLU 1 5.271 -8.414 -3.660
5 HB2 GLU 1 HB2 GLU 1 7.483 -6.544 -2.644
6 HB3 GLU 1 HB1 GLU 1 5.812 -6.524 -1.973
7 HG2 GLU 1 HG2 GLU 1 6.021 -8.875 -1.219
8 HG3 GLU 1 HG1 GLU 1 7.643 -9.019 -2.006
9 H MET 2 HN MET 2 7.293 -5.732 -5.044
10 HA MET 2 HA MET 2 4.822 -4.665 -6.192
11 HB2 MET 2 HB2 MET 2 6.580 -3.190 -4.227
12 HB3 MET 2 HB1 MET 2 6.141 -2.300 -5.742
13 HG2 MET 2 HG2 MET 2 3.896 -2.209 -5.235
14 HG3 MET 2 HG1 MET 2 3.904 -3.728 -4.276
15 HE1 MET 2 HE1 MET 2 5.621 -2.991 -1.067
16 HE2 MET 2 HE2 MET 2 5.257 -4.105 -2.431
17 HE3 MET 2 HE3 MET 2 3.937 -3.562 -1.339
18 H ARG 3 HN ARG 3 5.275 -2.894 -7.427
19 HA ARG 3 HA ARG 3 7.365 -3.465 -9.252
20 HB2 ARG 3 HB2 ARG 3 4.518 -2.714 -9.365
21 HB3 ARG 3 HB1 ARG 3 5.520 -1.679 -10.415
22 HG2 ARG 3 HG2 ARG 3 6.320 -3.416 -11.646
23 HG3 ARG 3 HG1 ARG 3 5.864 -4.651 -10.404
24 HD2 ARG 3 HD2 ARG 3 3.446 -4.267 -10.883
25 HD3 ARG 3 HD1 ARG 3 3.881 -2.973 -12.078
26 HE ARG 3 HE ARG 3 4.497 -4.659 -13.629
27 HH11 ARG 3 HH11 ARG 3 4.049 -6.020 -10.362
28 HH12 ARG 3 HH12 ARG 3 4.156 -7.671 -10.871
29 HH21 ARG 3 HH21 ARG 3 4.638 -6.904 -14.314
30 HH22 ARG 3 HH22 ARG 3 4.497 -8.182 -13.154
31 H ILE 4 HN ILE 4 6.895 -1.006 -10.450
32 HA ILE 4 HA ILE 4 8.743 0.553 -9.927
33 HB ILE 4 HB ILE 4 6.914 2.435 -10.219
34 HG12 ILE 4 HG12 ILE 4 4.904 1.553 -11.292
35 HG13 ILE 4 HG11 ILE 4 5.540 -0.121 -11.238
36 HG21 ILE 4 HG21 ILE 4 8.694 1.865 -11.852
37 HG22 ILE 4 HG22 ILE 4 7.106 1.947 -12.706
38 HG23 ILE 4 HG23 ILE 4 7.830 0.343 -12.299
39 HD11 ILE 4 HD11 ILE 4 5.216 -0.301 -8.821
40 HD12 ILE 4 HD12 ILE 4 3.738 0.539 -9.445
41 HD13 ILE 4 HD13 ILE 4 5.052 1.495 -8.666
42 H SER 5 HN SER 5 6.375 -0.024 -7.647
43 HA SER 5 HA SER 5 6.219 2.311 -6.258
44 HB2 SER 5 HB2 SER 5 6.213 -0.541 -5.392
45 HB3 SER 5 HB1 SER 5 5.705 0.822 -4.312
46 HG SER 5 HG SER 5 3.823 0.625 -5.176
47 H ARG 6 HN ARG 6 8.205 -0.398 -6.382
48 HA ARG 6 HA ARG 6 9.681 0.001 -4.042
49 HB2 ARG 6 HB2 ARG 6 10.823 -1.941 -4.835
50 HB3 ARG 6 HB1 ARG 6 9.099 -2.113 -5.385
51 HG2 ARG 6 HG2 ARG 6 9.828 -0.817 -7.470
52 HG3 ARG 6 HG1 ARG 6 11.519 -1.291 -6.995
53 HD2 ARG 6 HD2 ARG 6 9.164 -3.220 -7.252
54 HD3 ARG 6 HD1 ARG 6 10.401 -2.925 -8.561
55 HE ARG 6 HE ARG 6 11.719 -3.539 -6.050
56 HH11 ARG 6 HH11 ARG 6 9.785 -5.005 -8.660
57 HH12 ARG 6 HH12 ARG 6 10.478 -6.583 -8.498
58 HH21 ARG 6 HH21 ARG 6 12.659 -5.692 -5.828
59 HH22 ARG 6 HH22 ARG 6 12.138 -6.981 -6.859
60 H ILE 7 HN ILE 7 9.463 1.190 -7.205
61 HA ILE 7 HA ILE 7 12.187 1.892 -7.262
62 HB ILE 7 HB ILE 7 9.966 2.033 -9.215
63 HG12 ILE 7 HG12 ILE 7 12.601 0.580 -9.489
64 HG13 ILE 7 HG11 ILE 7 11.441 0.022 -8.239
65 HG21 ILE 7 HG21 ILE 7 11.327 4.033 -9.610
66 HG22 ILE 7 HG22 ILE 7 11.778 2.802 -10.854
67 HG23 ILE 7 HG23 ILE 7 12.854 3.088 -9.432
68 HD11 ILE 7 HD11 ILE 7 9.928 -0.780 -9.752
69 HD12 ILE 7 HD12 ILE 7 11.401 -0.910 -10.807
70 HD13 ILE 7 HD13 ILE 7 10.284 0.504 -10.976
71 H ILE 8 HN ILE 8 9.195 3.071 -6.513
72 HA ILE 8 HA ILE 8 10.003 5.825 -6.792
73 HB ILE 8 HB ILE 8 7.986 4.717 -4.900
74 HG12 ILE 8 HG12 ILE 8 7.371 3.597 -6.785
75 HG13 ILE 8 HG11 ILE 8 6.295 5.035 -6.840
76 HG21 ILE 8 HG21 ILE 8 7.227 6.922 -4.721
77 HG22 ILE 8 HG22 ILE 8 7.459 7.258 -6.478
78 HG23 ILE 8 HG23 ILE 8 8.870 7.317 -5.354
79 HD11 ILE 8 HD11 ILE 8 8.855 4.499 -8.467
80 HD12 ILE 8 HD12 ILE 8 8.003 6.097 -8.451
81 HD13 ILE 8 HD13 ILE 8 7.164 4.624 -9.087
82 H LEU 9 HN LEU 9 9.669 3.338 -4.652
83 HA LEU 9 HA LEU 9 10.448 4.448 -2.327
84 HB2 LEU 9 HB2 LEU 9 10.186 1.986 -3.736
85 HB3 LEU 9 HB1 LEU 9 11.414 1.920 -2.429
86 HG LEU 9 HG LEU 9 8.615 2.960 -1.869
87 HD11 LEU 9 HD11 LEU 9 9.496 0.024 -2.144
88 HD12 LEU 9 HD12 LEU 9 8.114 0.847 -2.952
89 HD13 LEU 9 HD13 LEU 9 8.055 0.525 -1.178
90 HD21 LEU 9 HD21 LEU 9 11.005 2.627 -0.423
91 HD22 LEU 9 HD22 LEU 9 9.990 1.221 0.098
92 HD23 LEU 9 HD23 LEU 9 9.359 2.904 0.279
93 H ASP 10 HN ASP 10 12.122 3.332 -5.053
94 HA ASP 10 HA ASP 10 14.494 3.408 -3.563
95 HB2 ASP 10 HB2 ASP 10 13.492 3.093 -6.281
96 HB3 ASP 10 HB1 ASP 10 15.145 3.800 -6.222
97 H PHE 11 HN PHE 11 12.413 5.576 -5.288
98 HA PHE 11 HA PHE 11 14.462 7.579 -5.415
99 HB2 PHE 11 HB2 PHE 11 11.532 7.524 -6.079
100 HB3 PHE 11 HB1 PHE 11 12.655 8.901 -6.524
101 HD1 PHE 11 HD1 PHE 11 11.245 7.540 -8.647
102 HD2 PHE 11 HD2 PHE 11 14.803 6.421 -6.652
103 HE1 PHE 11 HE1 PHE 11 11.860 6.027 -10.422
104 HE2 PHE 11 HE2 PHE 11 15.344 4.961 -8.221
105 HZ PHE 11 HZ PHE 11 13.960 4.714 -10.309
106 H LEU 12 HN LEU 12 12.578 6.249 -3.285
107 HA LEU 12 HA LEU 12 11.938 8.648 -2.016
108 HB2 LEU 12 HB2 LEU 12 11.485 5.776 -1.648
109 HB3 LEU 12 HB1 LEU 12 11.054 6.942 -0.327
110 HG LEU 12 HG LEU 12 10.216 7.104 -3.171
111 HD11 LEU 12 HD11 LEU 12 7.991 6.420 -1.470
112 HD12 LEU 12 HD12 LEU 12 9.376 5.300 -1.130
113 HD13 LEU 12 HD13 LEU 12 8.751 5.467 -2.809
114 HD21 LEU 12 HD21 LEU 12 9.940 8.848 -0.827
115 HD22 LEU 12 HD22 LEU 12 8.356 8.521 -1.643
116 HD23 LEU 12 HD23 LEU 12 9.741 9.214 -2.582
117 H PHE 13 HN PHE 13 13.874 5.789 -1.833
118 HA PHE 13 HA PHE 13 15.313 7.041 0.411
119 HB2 PHE 13 HB2 PHE 13 14.592 4.126 0.151
120 HB3 PHE 13 HB1 PHE 13 15.323 4.924 1.620
121 HD1 PHE 13 HD1 PHE 13 12.700 4.140 -0.396
122 HD2 PHE 13 HD2 PHE 13 13.721 6.427 2.939
123 HE1 PHE 13 HE1 PHE 13 10.550 4.434 -0.080
124 HE2 PHE 13 HE2 PHE 13 11.341 6.723 3.416
125 HZ PHE 13 HZ PHE 13 9.649 5.694 1.916
126 H DLE 14 HN DLE 14 15.171 4.911 -2.419
127 HA DLE 14 HA DLE 14 18.029 4.674 -2.114
128 HB2 DLE 14 HB2 DLE 14 18.236 3.921 -4.430
129 HB3 DLE 14 HB1 DLE 14 16.469 4.265 -4.633
130 HG DLE 14 HG DLE 14 16.984 6.497 -3.650
131 HD11 DLE 14 HD11 DLE 14 19.792 6.285 -4.680
132 HD12 DLE 14 HD12 DLE 14 19.396 5.349 -3.169
133 HD13 DLE 14 HD13 DLE 14 19.124 7.142 -3.232
134 HD21 DLE 14 HD21 DLE 14 17.002 5.477 -6.304
135 HD22 DLE 14 HD22 DLE 14 18.251 6.788 -6.243
136 HD23 DLE 14 HD23 DLE 14 16.540 7.123 -5.736
137 H ARG 15 HN ARG 15 15.646 3.390 -1.098
138 HA ARG 15 HA ARG 15 15.475 1.451 -0.247
139 HB2 ARG 15 HB2 ARG 15 15.619 0.817 -3.196
140 HB3 ARG 15 HB1 ARG 15 15.056 -0.400 -1.973
141 HG2 ARG 15 HG2 ARG 15 13.933 2.452 -2.034
142 HG3 ARG 15 HG1 ARG 15 13.248 1.160 -3.100
143 HD2 ARG 15 HD2 ARG 15 11.945 0.690 -1.205
144 HD3 ARG 15 HD1 ARG 15 13.439 -0.180 -0.662
145 HE ARG 15 HE ARG 15 13.491 2.652 0.052
146 HH11 ARG 15 HH11 ARG 15 12.259 -0.585 0.884
147 HH12 ARG 15 HH12 ARG 15 12.116 -0.266 2.580
148 HH21 ARG 15 HH21 ARG 15 13.296 3.088 2.365
149 HH22 ARG 15 HH22 ARG 15 12.716 1.856 3.435
150 H LYS 16 HN LYS 16 17.776 2.585 -0.367
151 HA LYS 16 HA LYS 16 19.831 0.566 -0.642
152 HB2 LYS 16 HB2 LYS 16 21.407 2.524 -0.498
153 HB3 LYS 16 HB1 LYS 16 20.257 2.652 -1.888
154 HG2 LYS 16 HG2 LYS 16 18.803 4.132 -0.624
155 HG3 LYS 16 HG1 LYS 16 19.810 3.973 0.846
156 HD2 LYS 16 HD2 LYS 16 21.628 5.203 -0.142
157 HD3 LYS 16 HD1 LYS 16 20.952 5.037 -1.800
158 HE2 LYS 16 HE2 LYS 16 19.054 6.543 -1.234
159 HE3 LYS 16 HE1 LYS 16 19.619 6.645 0.488
160 HZ1 LYS 16 HZ1 LYS 16 21.486 7.837 -0.141
161 HZ2 LYS 16 HZ2 LYS 16 20.257 8.482 -1.118
162 HZ3 LYS 16 HZ3 LYS 16 21.381 7.392 -1.776
163 H LYS 17 HN LYS 17 17.826 2.380 1.453
164 HA LYS 17 HA LYS 17 19.289 1.316 3.682
165 HB2 LYS 17 HB2 LYS 17 18.393 4.238 3.471
166 HB3 LYS 17 HB1 LYS 17 19.034 3.467 4.968
167 HG2 LYS 17 HG2 LYS 17 20.673 3.416 2.384
168 HG3 LYS 17 HG1 LYS 17 20.648 4.894 3.414
169 HD2 LYS 17 HD2 LYS 17 21.353 2.083 4.464
170 HD3 LYS 17 HD1 LYS 17 22.572 3.247 3.840
171 HE2 LYS 17 HE2 LYS 17 21.841 4.916 5.610
172 HE3 LYS 17 HE1 LYS 17 20.699 3.670 6.268
173 HZ1 LYS 17 HZ1 LYS 17 22.382 2.934 7.431
174 HZ2 LYS 17 HZ2 LYS 17 23.491 3.956 6.649
175 HZ3 LYS 17 HZ3 LYS 17 23.144 2.424 6.003
Start of MODEL 4
1 H1 GLU 1 HT1 GLU 1 9.100 -8.934 -9.752
2 H2 GLU 1 HT2 GLU 1 8.569 -7.322 -9.683
3 H3 GLU 1 HT3 GLU 1 7.493 -8.552 -10.146
4 HA GLU 1 HA GLU 1 6.854 -8.762 -8.089
5 HB2 GLU 1 HB2 GLU 1 9.820 -9.430 -7.666
6 HB3 GLU 1 HB1 GLU 1 8.585 -9.630 -6.372
7 HG2 GLU 1 HG2 GLU 1 7.341 -11.289 -7.731
8 HG3 GLU 1 HG1 GLU 1 8.457 -11.027 -9.130
9 H MET 2 HN MET 2 6.645 -6.226 -8.358
10 HA MET 2 HA MET 2 7.629 -5.121 -5.893
11 HB2 MET 2 HB2 MET 2 8.164 -2.822 -7.284
12 HB3 MET 2 HB1 MET 2 9.489 -4.043 -6.928
13 HG2 MET 2 HG2 MET 2 8.441 -5.091 -9.306
14 HG3 MET 2 HG1 MET 2 8.221 -3.335 -9.541
15 HE1 MET 2 HE1 MET 2 9.909 -5.140 -11.440
16 HE2 MET 2 HE2 MET 2 11.268 -4.009 -11.760
17 HE3 MET 2 HE3 MET 2 9.594 -3.376 -11.589
18 H ARG 3 HN ARG 3 6.960 -3.326 -5.360
19 HA ARG 3 HA ARG 3 4.632 -2.578 -6.722
20 HB2 ARG 3 HB2 ARG 3 5.360 -2.660 -3.901
21 HB3 ARG 3 HB1 ARG 3 4.557 -1.109 -4.445
22 HG2 ARG 3 HG2 ARG 3 2.705 -2.537 -4.085
23 HG3 ARG 3 HG1 ARG 3 3.061 -2.618 -5.866
24 HD2 ARG 3 HD2 ARG 3 3.970 -4.790 -5.743
25 HD3 ARG 3 HD1 ARG 3 4.227 -4.716 -3.938
26 HE ARG 3 HE ARG 3 1.420 -4.408 -4.442
27 HH11 ARG 3 HH11 ARG 3 4.043 -6.787 -4.813
28 HH12 ARG 3 HH12 ARG 3 3.020 -8.173 -4.634
29 HH21 ARG 3 HH21 ARG 3 0.027 -6.292 -4.199
30 HH22 ARG 3 HH22 ARG 3 0.698 -7.886 -4.280
31 H ILE 4 HN ILE 4 4.736 -1.158 -7.925
32 HA ILE 4 HA ILE 4 6.940 -0.063 -8.783
33 HB ILE 4 HB ILE 4 4.435 1.407 -8.958
34 HG12 ILE 4 HG12 ILE 4 3.526 -0.789 -9.079
35 HG13 ILE 4 HG11 ILE 4 3.849 -0.395 -10.814
36 HG21 ILE 4 HG21 ILE 4 6.731 0.722 -10.874
37 HG22 ILE 4 HG22 ILE 4 6.327 2.328 -10.150
38 HG23 ILE 4 HG23 ILE 4 5.227 1.585 -11.379
39 HD11 ILE 4 HD11 ILE 4 6.301 -1.599 -9.813
40 HD12 ILE 4 HD12 ILE 4 5.088 -2.341 -10.936
41 HD13 ILE 4 HD13 ILE 4 4.941 -2.593 -9.144
42 H SER 5 HN SER 5 5.577 0.528 -6.011
43 HA SER 5 HA SER 5 5.957 3.233 -5.872
44 HB2 SER 5 HB2 SER 5 5.184 1.111 -3.931
45 HB3 SER 5 HB1 SER 5 5.258 2.870 -3.461
46 HG SER 5 HG SER 5 3.512 3.283 -4.645
47 H ARG 6 HN ARG 6 7.145 0.315 -4.888
48 HA ARG 6 HA ARG 6 8.796 1.239 -2.816
49 HB2 ARG 6 HB2 ARG 6 9.109 -1.008 -2.508
50 HB3 ARG 6 HB1 ARG 6 7.585 -1.029 -3.508
51 HG2 ARG 6 HG2 ARG 6 8.956 -1.090 -5.527
52 HG3 ARG 6 HG1 ARG 6 10.425 -1.391 -4.512
53 HD2 ARG 6 HD2 ARG 6 7.820 -2.959 -4.272
54 HD3 ARG 6 HD1 ARG 6 9.245 -3.524 -5.248
55 HE ARG 6 HE ARG 6 9.086 -3.339 -2.277
56 HH11 ARG 6 HH11 ARG 6 11.035 -3.849 -5.223
57 HH12 ARG 6 HH12 ARG 6 12.346 -4.631 -4.408
58 HH21 ARG 6 HH21 ARG 6 10.879 -4.419 -1.172
59 HH22 ARG 6 HH22 ARG 6 12.256 -4.958 -2.072
60 H ILE 7 HN ILE 7 8.647 1.210 -6.137
61 HA ILE 7 HA ILE 7 11.403 1.011 -6.576
62 HB ILE 7 HB ILE 7 9.008 1.493 -8.253
63 HG12 ILE 7 HG12 ILE 7 10.903 -0.861 -8.191
64 HG13 ILE 7 HG11 ILE 7 9.542 -0.666 -7.028
65 HG21 ILE 7 HG21 ILE 7 10.815 2.667 -9.381
66 HG22 ILE 7 HG22 ILE 7 10.643 1.072 -10.209
67 HG23 ILE 7 HG23 ILE 7 11.983 1.336 -9.030
68 HD11 ILE 7 HD11 ILE 7 9.407 -1.620 -9.768
69 HD12 ILE 7 HD12 ILE 7 8.514 -0.051 -9.652
70 HD13 ILE 7 HD13 ILE 7 8.076 -1.414 -8.556
71 H ILE 8 HN ILE 8 8.942 3.235 -6.136
72 HA ILE 8 HA ILE 8 10.440 5.408 -7.286
73 HB ILE 8 HB ILE 8 8.359 5.533 -5.157
74 HG12 ILE 8 HG12 ILE 8 7.388 4.022 -6.579
75 HG13 ILE 8 HG11 ILE 8 6.644 5.584 -7.081
76 HG21 ILE 8 HG21 ILE 8 9.826 7.520 -6.412
77 HG22 ILE 8 HG22 ILE 8 8.162 7.793 -5.765
78 HG23 ILE 8 HG23 ILE 8 8.403 7.452 -7.522
79 HD11 ILE 8 HD11 ILE 8 8.805 3.907 -8.467
80 HD12 ILE 8 HD12 ILE 8 8.489 5.629 -8.936
81 HD13 ILE 8 HD13 ILE 8 7.180 4.382 -9.100
82 H LEU 9 HN LEU 9 9.612 3.938 -4.429
83 HA LEU 9 HA LEU 9 10.890 5.462 -2.623
84 HB2 LEU 9 HB2 LEU 9 9.806 2.885 -3.090
85 HB3 LEU 9 HB1 LEU 9 11.141 2.857 -1.886
86 HG LEU 9 HG LEU 9 9.023 4.931 -1.460
87 HD11 LEU 9 HD11 LEU 9 7.422 3.274 -0.465
88 HD12 LEU 9 HD12 LEU 9 8.459 1.923 -1.070
89 HD13 LEU 9 HD13 LEU 9 7.636 3.020 -2.236
90 HD21 LEU 9 HD21 LEU 9 11.182 3.906 -0.068
91 HD22 LEU 9 HD22 LEU 9 9.820 2.957 0.662
92 HD23 LEU 9 HD23 LEU 9 9.785 4.764 0.705
93 H ASP 10 HN ASP 10 11.909 3.075 -4.788
94 HA ASP 10 HA ASP 10 14.317 2.803 -3.415
95 HB2 ASP 10 HB2 ASP 10 12.987 2.124 -5.934
96 HB3 ASP 10 HB1 ASP 10 14.764 2.240 -6.108
97 H PHE 11 HN PHE 11 12.854 4.913 -5.758
98 HA PHE 11 HA PHE 11 15.376 6.084 -6.481
99 HB2 PHE 11 HB2 PHE 11 12.507 6.664 -7.170
100 HB3 PHE 11 HB1 PHE 11 13.939 7.423 -8.024
101 HD1 PHE 11 HD1 PHE 11 12.005 5.926 -9.581
102 HD2 PHE 11 HD2 PHE 11 15.267 4.551 -7.301
103 HE1 PHE 11 HE1 PHE 11 12.013 3.807 -10.731
104 HE2 PHE 11 HE2 PHE 11 15.253 2.560 -8.268
105 HZ PHE 11 HZ PHE 11 13.669 2.051 -10.159
106 H LEU 12 HN LEU 12 13.303 6.165 -4.102
107 HA LEU 12 HA LEU 12 13.391 8.928 -3.803
108 HB2 LEU 12 HB2 LEU 12 12.254 6.590 -2.470
109 HB3 LEU 12 HB1 LEU 12 12.215 8.197 -1.627
110 HG LEU 12 HG LEU 12 11.253 7.600 -4.375
111 HD11 LEU 12 HD11 LEU 12 9.042 8.182 -2.634
112 HD12 LEU 12 HD12 LEU 12 10.100 6.942 -1.846
113 HD13 LEU 12 HD13 LEU 12 9.447 6.642 -3.494
114 HD21 LEU 12 HD21 LEU 12 11.422 9.829 -4.580
115 HD22 LEU 12 HD22 LEU 12 11.574 10.064 -2.796
116 HD23 LEU 12 HD23 LEU 12 9.937 9.901 -3.553
117 H PHE 13 HN PHE 13 14.526 5.976 -2.494
118 HA PHE 13 HA PHE 13 16.246 7.539 -0.694
119 HB2 PHE 13 HB2 PHE 13 14.912 4.903 -0.128
120 HB3 PHE 13 HB1 PHE 13 15.759 5.961 1.093
121 HD1 PHE 13 HD1 PHE 13 13.018 5.034 -0.666
122 HD2 PHE 13 HD2 PHE 13 14.548 8.194 1.596
123 HE1 PHE 13 HE1 PHE 13 10.962 5.883 -0.641
124 HE2 PHE 13 HE2 PHE 13 12.298 9.127 1.756
125 HZ PHE 13 HZ PHE 13 10.403 7.969 0.652
126 H DLE 14 HN DLE 14 15.643 4.757 -2.733
127 HA DLE 14 HA DLE 14 18.285 3.984 -2.031
128 HB2 DLE 14 HB2 DLE 14 17.718 4.709 -4.559
129 HB3 DLE 14 HB1 DLE 14 19.059 3.613 -4.073
130 HG DLE 14 HG DLE 14 16.357 2.415 -4.500
131 HD11 DLE 14 HD11 DLE 14 18.113 3.241 -6.862
132 HD12 DLE 14 HD12 DLE 14 16.728 4.232 -6.247
133 HD13 DLE 14 HD13 DLE 14 16.446 2.562 -6.874
134 HD21 DLE 14 HD21 DLE 14 18.682 1.195 -5.853
135 HD22 DLE 14 HD22 DLE 14 17.543 0.519 -4.616
136 HD23 DLE 14 HD23 DLE 14 18.972 1.478 -4.087
137 H ARG 15 HN ARG 15 15.510 3.561 -1.149
138 HA ARG 15 HA ARG 15 14.823 1.968 0.234
139 HB2 ARG 15 HB2 ARG 15 15.028 0.583 -2.431
140 HB3 ARG 15 HB1 ARG 15 14.314 -0.253 -0.999
141 HG2 ARG 15 HG2 ARG 15 13.443 2.589 -1.598
142 HG3 ARG 15 HG1 ARG 15 12.794 1.257 -2.642
143 HD2 ARG 15 HD2 ARG 15 12.799 0.988 0.416
144 HD3 ARG 15 HD1 ARG 15 11.472 1.891 -0.430
145 HE ARG 15 HE ARG 15 11.768 -0.517 -1.849
146 HH11 ARG 15 HH11 ARG 15 11.068 0.530 1.487
147 HH12 ARG 15 HH12 ARG 15 10.060 -0.825 1.873
148 HH21 ARG 15 HH21 ARG 15 10.388 -2.370 -1.320
149 HH22 ARG 15 HH22 ARG 15 9.668 -2.500 0.252
150 H LYS 16 HN LYS 16 17.384 2.575 0.055
151 HA LYS 16 HA LYS 16 18.859 0.153 0.728
152 HB2 LYS 16 HB2 LYS 16 20.887 1.337 0.031
153 HB3 LYS 16 HB1 LYS 16 19.668 1.536 -1.286
154 HG2 LYS 16 HG2 LYS 16 19.012 3.760 -0.289
155 HG3 LYS 16 HG1 LYS 16 20.346 3.595 0.903
156 HD2 LYS 16 HD2 LYS 16 21.999 3.991 -0.687
157 HD3 LYS 16 HD1 LYS 16 21.060 3.243 -2.024
158 HE2 LYS 16 HE2 LYS 16 19.639 5.246 -2.259
159 HE3 LYS 16 HE1 LYS 16 20.341 5.977 -0.755
160 HZ1 LYS 16 HZ1 LYS 16 21.199 6.533 -3.171
161 HZ2 LYS 16 HZ2 LYS 16 22.207 5.200 -2.871
162 HZ3 LYS 16 HZ3 LYS 16 22.223 6.531 -1.817
163 H LYS 17 HN LYS 17 17.039 2.495 2.049
164 HA LYS 17 HA LYS 17 18.890 2.757 4.275
165 HB2 LYS 17 HB2 LYS 17 16.918 4.921 3.391
166 HB3 LYS 17 HB1 LYS 17 18.185 5.059 4.663
167 HG2 LYS 17 HG2 LYS 17 19.959 4.773 2.929
168 HG3 LYS 17 HG1 LYS 17 18.695 4.624 1.661
169 HD2 LYS 17 HD2 LYS 17 19.495 6.895 1.565
170 HD3 LYS 17 HD1 LYS 17 17.871 6.959 2.333
171 HE2 LYS 17 HE2 LYS 17 18.908 7.174 4.590
172 HE3 LYS 17 HE1 LYS 17 20.562 7.009 3.864
173 HZ1 LYS 17 HZ1 LYS 17 19.193 9.008 2.480
174 HZ2 LYS 17 HZ2 LYS 17 20.534 9.151 3.512
175 HZ3 LYS 17 HZ3 LYS 17 18.960 9.293 4.137
Start of MODEL 5
1 H1 GLU 1 HT1 GLU 1 6.451 -7.230 -1.594
2 H2 GLU 1 HT2 GLU 1 7.055 -6.066 -2.673
3 H3 GLU 1 HT3 GLU 1 7.741 -7.620 -2.628
4 HA GLU 1 HA GLU 1 6.422 -8.172 -4.262
5 HB2 GLU 1 HB2 GLU 1 4.322 -7.700 -2.073
6 HB3 GLU 1 HB1 GLU 1 3.922 -8.467 -3.651
7 HG2 GLU 1 HG2 GLU 1 5.468 -10.348 -3.202
8 HG3 GLU 1 HG1 GLU 1 6.045 -9.557 -1.682
9 H MET 2 HN MET 2 7.122 -5.940 -5.231
10 HA MET 2 HA MET 2 4.721 -4.759 -6.275
11 HB2 MET 2 HB2 MET 2 5.379 -2.382 -5.837
12 HB3 MET 2 HB1 MET 2 4.911 -3.245 -4.311
13 HG2 MET 2 HG2 MET 2 7.807 -3.411 -5.060
14 HG3 MET 2 HG1 MET 2 7.213 -1.767 -4.710
15 HE1 MET 2 HE1 MET 2 6.333 -0.881 -2.769
16 HE2 MET 2 HE2 MET 2 6.181 -1.609 -1.134
17 HE3 MET 2 HE3 MET 2 5.009 -2.047 -2.424
18 H ARG 3 HN ARG 3 5.237 -2.955 -7.478
19 HA ARG 3 HA ARG 3 7.378 -3.528 -9.237
20 HB2 ARG 3 HB2 ARG 3 4.540 -2.776 -9.425
21 HB3 ARG 3 HB1 ARG 3 5.565 -1.735 -10.443
22 HG2 ARG 3 HG2 ARG 3 6.439 -3.488 -11.630
23 HG3 ARG 3 HG1 ARG 3 5.860 -4.718 -10.433
24 HD2 ARG 3 HD2 ARG 3 3.469 -4.095 -11.039
25 HD3 ARG 3 HD1 ARG 3 4.132 -3.003 -12.333
26 HE ARG 3 HE ARG 3 5.318 -5.563 -12.729
27 HH11 ARG 3 HH11 ARG 3 2.096 -4.044 -12.697
28 HH12 ARG 3 HH12 ARG 3 1.401 -5.132 -13.852
29 HH21 ARG 3 HH21 ARG 3 4.374 -7.044 -14.300
30 HH22 ARG 3 HH22 ARG 3 2.719 -6.867 -14.778
31 H ILE 4 HN ILE 4 6.915 -1.075 -10.443
32 HA ILE 4 HA ILE 4 8.756 0.494 -9.953
33 HB ILE 4 HB ILE 4 6.932 2.369 -10.249
34 HG12 ILE 4 HG12 ILE 4 4.875 1.506 -11.211
35 HG13 ILE 4 HG11 ILE 4 5.496 -0.173 -11.217
36 HG21 ILE 4 HG21 ILE 4 7.786 0.219 -12.294
37 HG22 ILE 4 HG22 ILE 4 8.653 1.760 -11.919
38 HG23 ILE 4 HG23 ILE 4 7.042 1.805 -12.731
39 HD11 ILE 4 HD11 ILE 4 5.043 1.429 -8.613
40 HD12 ILE 4 HD12 ILE 4 5.309 -0.356 -8.744
41 HD13 ILE 4 HD13 ILE 4 3.773 0.387 -9.352
42 H SER 5 HN SER 5 6.430 -0.076 -7.657
43 HA SER 5 HA SER 5 6.264 2.259 -6.282
44 HB2 SER 5 HB2 SER 5 6.204 -0.603 -5.515
45 HB3 SER 5 HB1 SER 5 5.789 0.709 -4.337
46 HG SER 5 HG SER 5 3.944 1.015 -5.335
47 H ARG 6 HN ARG 6 8.275 -0.434 -6.426
48 HA ARG 6 HA ARG 6 9.779 -0.031 -4.103
49 HB2 ARG 6 HB2 ARG 6 10.957 -1.938 -4.942
50 HB3 ARG 6 HB1 ARG 6 9.226 -2.141 -5.437
51 HG2 ARG 6 HG2 ARG 6 9.864 -0.827 -7.543
52 HG3 ARG 6 HG1 ARG 6 11.574 -1.288 -7.121
53 HD2 ARG 6 HD2 ARG 6 9.221 -3.233 -7.325
54 HD3 ARG 6 HD1 ARG 6 10.439 -2.937 -8.651
55 HE ARG 6 HE ARG 6 11.808 -3.539 -6.172
56 HH11 ARG 6 HH11 ARG 6 9.785 -5.026 -8.700
57 HH12 ARG 6 HH12 ARG 6 10.462 -6.610 -8.530
58 HH21 ARG 6 HH21 ARG 6 12.728 -5.698 -5.938
59 HH22 ARG 6 HH22 ARG 6 12.164 -6.999 -6.931
60 H ILE 7 HN ILE 7 9.504 1.176 -7.255
61 HA ILE 7 HA ILE 7 12.216 1.916 -7.341
62 HB ILE 7 HB ILE 7 9.971 2.041 -9.268
63 HG12 ILE 7 HG12 ILE 7 12.626 0.631 -9.574
64 HG13 ILE 7 HG11 ILE 7 11.480 0.045 -8.323
65 HG21 ILE 7 HG21 ILE 7 11.302 4.067 -9.658
66 HG22 ILE 7 HG22 ILE 7 11.752 2.855 -10.920
67 HG23 ILE 7 HG23 ILE 7 12.843 3.138 -9.509
68 HD11 ILE 7 HD11 ILE 7 9.990 -0.787 -9.832
69 HD12 ILE 7 HD12 ILE 7 11.446 -0.842 -10.918
70 HD13 ILE 7 HD13 ILE 7 10.279 0.537 -11.031
71 H ILE 8 HN ILE 8 9.226 3.040 -6.524
72 HA ILE 8 HA ILE 8 10.013 5.803 -6.787
73 HB ILE 8 HB ILE 8 8.001 4.674 -4.901
74 HG12 ILE 8 HG12 ILE 8 7.402 3.554 -6.794
75 HG13 ILE 8 HG11 ILE 8 6.308 4.979 -6.835
76 HG21 ILE 8 HG21 ILE 8 7.493 7.222 -6.483
77 HG22 ILE 8 HG22 ILE 8 8.874 7.272 -5.320
78 HG23 ILE 8 HG23 ILE 8 7.213 6.874 -4.734
79 HD11 ILE 8 HD11 ILE 8 8.861 4.472 -8.477
80 HD12 ILE 8 HD12 ILE 8 8.014 6.072 -8.437
81 HD13 ILE 8 HD13 ILE 8 7.168 4.610 -9.086
82 H LEU 9 HN LEU 9 9.695 3.286 -4.661
83 HA LEU 9 HA LEU 9 10.483 4.384 -2.335
84 HB2 LEU 9 HB2 LEU 9 10.248 1.929 -3.753
85 HB3 LEU 9 HB1 LEU 9 11.510 1.876 -2.474
86 HG LEU 9 HG LEU 9 8.760 2.899 -1.747
87 HD11 LEU 9 HD11 LEU 9 8.037 0.491 -1.287
88 HD12 LEU 9 HD12 LEU 9 9.465 -0.061 -2.244
89 HD13 LEU 9 HD13 LEU 9 8.166 0.897 -3.037
90 HD21 LEU 9 HD21 LEU 9 11.159 2.388 -0.433
91 HD22 LEU 9 HD22 LEU 9 10.197 0.900 -0.058
92 HD23 LEU 9 HD23 LEU 9 9.542 2.529 0.369
93 H ASP 10 HN ASP 10 12.150 3.287 -5.065
94 HA ASP 10 HA ASP 10 14.559 3.329 -3.658
95 HB2 ASP 10 HB2 ASP 10 13.447 3.201 -6.365
96 HB3 ASP 10 HB1 ASP 10 15.110 3.861 -6.320
97 H PHE 11 HN PHE 11 12.457 5.561 -5.277
98 HA PHE 11 HA PHE 11 14.487 7.587 -5.368
99 HB2 PHE 11 HB2 PHE 11 11.558 7.500 -6.054
100 HB3 PHE 11 HB1 PHE 11 12.663 8.893 -6.484
101 HD1 PHE 11 HD1 PHE 11 11.254 7.561 -8.621
102 HD2 PHE 11 HD2 PHE 11 14.803 6.441 -6.652
103 HE1 PHE 11 HE1 PHE 11 11.871 6.072 -10.418
104 HE2 PHE 11 HE2 PHE 11 15.362 4.997 -8.230
105 HZ PHE 11 HZ PHE 11 13.977 4.764 -10.322
106 H LEU 12 HN LEU 12 12.562 6.230 -3.275
107 HA LEU 12 HA LEU 12 11.823 8.614 -2.047
108 HB2 LEU 12 HB2 LEU 12 11.466 5.735 -1.675
109 HB3 LEU 12 HB1 LEU 12 10.972 6.872 -0.349
110 HG LEU 12 HG LEU 12 10.166 7.005 -3.207
111 HD11 LEU 12 HD11 LEU 12 8.746 5.327 -2.848
112 HD12 LEU 12 HD12 LEU 12 7.935 6.278 -1.537
113 HD13 LEU 12 HD13 LEU 12 9.340 5.201 -1.156
114 HD21 LEU 12 HD21 LEU 12 8.243 8.393 -1.763
115 HD22 LEU 12 HD22 LEU 12 9.658 9.114 -2.632
116 HD23 LEU 12 HD23 LEU 12 9.774 8.750 -0.867
117 H PHE 13 HN PHE 13 13.836 5.859 -1.750
118 HA PHE 13 HA PHE 13 15.089 7.128 0.586
119 HB2 PHE 13 HB2 PHE 13 14.597 4.196 0.122
120 HB3 PHE 13 HB1 PHE 13 15.188 4.948 1.677
121 HD1 PHE 13 HD1 PHE 13 12.725 4.030 -0.458
122 HD2 PHE 13 HD2 PHE 13 13.425 6.372 2.923
123 HE1 PHE 13 HE1 PHE 13 10.531 4.194 -0.252
124 HE2 PHE 13 HE2 PHE 13 11.011 6.512 3.281
125 HZ PHE 13 HZ PHE 13 9.465 5.389 1.698
126 H DLE 14 HN DLE 14 15.247 5.086 -2.267
127 HA DLE 14 HA DLE 14 18.025 4.946 -1.698
128 HB2 DLE 14 HB2 DLE 14 17.201 6.363 -3.830
129 HB3 DLE 14 HB1 DLE 14 18.816 5.592 -3.667
130 HG DLE 14 HG DLE 14 16.581 3.929 -4.727
131 HD11 DLE 14 HD11 DLE 14 16.547 4.978 -6.863
132 HD12 DLE 14 HD12 DLE 14 17.937 6.046 -6.465
133 HD13 DLE 14 HD13 DLE 14 16.339 6.294 -5.648
134 HD21 DLE 14 HD21 DLE 14 18.266 2.649 -5.465
135 HD22 DLE 14 HD22 DLE 14 19.352 3.677 -4.462
136 HD23 DLE 14 HD23 DLE 14 19.131 4.045 -6.224
137 H ARG 15 HN ARG 15 15.581 3.436 -1.178
138 HA ARG 15 HA ARG 15 15.563 1.332 -0.463
139 HB2 ARG 15 HB2 ARG 15 15.743 1.031 -3.456
140 HB3 ARG 15 HB1 ARG 15 15.308 -0.336 -2.360
141 HG2 ARG 15 HG2 ARG 15 13.924 2.388 -2.196
142 HG3 ARG 15 HG1 ARG 15 13.336 1.097 -3.316
143 HD2 ARG 15 HD2 ARG 15 12.101 0.480 -1.417
144 HD3 ARG 15 HD1 ARG 15 13.656 -0.340 -0.958
145 HE ARG 15 HE ARG 15 13.560 2.458 -0.100
146 HH11 ARG 15 HH11 ARG 15 12.590 -0.896 0.608
147 HH12 ARG 15 HH12 ARG 15 12.474 -0.665 2.321
148 HH21 ARG 15 HH21 ARG 15 13.398 2.774 2.232
149 HH22 ARG 15 HH22 ARG 15 12.942 1.456 3.258
150 H LYS 16 HN LYS 16 17.742 2.588 -0.340
151 HA LYS 16 HA LYS 16 19.899 0.657 -0.695
152 HB2 LYS 16 HB2 LYS 16 21.437 2.564 -0.775
153 HB3 LYS 16 HB1 LYS 16 20.098 2.897 -1.937
154 HG2 LYS 16 HG2 LYS 16 18.931 4.255 -0.167
155 HG3 LYS 16 HG1 LYS 16 20.338 4.008 0.925
156 HD2 LYS 16 HD2 LYS 16 21.693 5.473 -0.261
157 HD3 LYS 16 HD1 LYS 16 20.943 5.071 -1.845
158 HE2 LYS 16 HE2 LYS 16 19.001 6.510 -1.393
159 HE3 LYS 16 HE1 LYS 16 19.503 6.738 0.334
160 HZ1 LYS 16 HZ1 LYS 16 21.410 7.464 -1.777
161 HZ2 LYS 16 HZ2 LYS 16 21.136 8.160 -0.252
162 HZ3 LYS 16 HZ3 LYS 16 20.061 8.465 -1.530
163 H LYS 17 HN LYS 17 17.634 1.640 1.430
164 HA LYS 17 HA LYS 17 19.547 1.429 3.603
165 HB2 LYS 17 HB2 LYS 17 17.075 3.228 3.667
166 HB3 LYS 17 HB1 LYS 17 18.364 3.111 4.921
167 HG2 LYS 17 HG2 LYS 17 20.026 3.918 3.144
168 HG3 LYS 17 HG1 LYS 17 18.620 4.225 2.069
169 HD2 LYS 17 HD2 LYS 17 18.979 5.471 4.870
170 HD3 LYS 17 HD1 LYS 17 19.453 6.272 3.332
171 HE2 LYS 17 HE2 LYS 17 17.049 6.157 2.551
172 HE3 LYS 17 HE1 LYS 17 16.591 5.410 4.139
173 HZ1 LYS 17 HZ1 LYS 17 16.393 7.446 4.878
174 HZ2 LYS 17 HZ2 LYS 17 17.055 8.127 3.470
175 HZ3 LYS 17 HZ3 LYS 17 18.073 7.650 4.743
Start of MODEL 6
1 H1 GLU 1 HT1 GLU 1 6.622 -9.438 -4.502
2 H2 GLU 1 HT2 GLU 1 7.968 -8.408 -4.595
3 H3 GLU 1 HT3 GLU 1 6.654 -8.186 -5.648
4 HA GLU 1 HA GLU 1 5.560 -8.109 -3.156
5 HB2 GLU 1 HB2 GLU 1 8.213 -6.577 -3.335
6 HB3 GLU 1 HB1 GLU 1 6.924 -6.142 -2.156
7 HG2 GLU 1 HG2 GLU 1 7.090 -8.350 -1.057
8 HG3 GLU 1 HG1 GLU 1 8.255 -8.930 -2.312
9 H MET 2 HN MET 2 7.416 -5.721 -5.196
10 HA MET 2 HA MET 2 4.873 -4.657 -6.128
11 HB2 MET 2 HB2 MET 2 6.677 -3.160 -4.232
12 HB3 MET 2 HB1 MET 2 6.211 -2.272 -5.740
13 HG2 MET 2 HG2 MET 2 3.970 -2.187 -5.196
14 HG3 MET 2 HG1 MET 2 4.004 -3.694 -4.218
15 HE1 MET 2 HE1 MET 2 2.385 -1.182 -3.499
16 HE2 MET 2 HE2 MET 2 2.665 -1.058 -1.729
17 HE3 MET 2 HE3 MET 2 2.455 -2.671 -2.494
18 H ARG 3 HN ARG 3 5.253 -2.860 -7.382
19 HA ARG 3 HA ARG 3 7.257 -3.417 -9.305
20 HB2 ARG 3 HB2 ARG 3 4.408 -2.666 -9.272
21 HB3 ARG 3 HB1 ARG 3 5.358 -1.622 -10.362
22 HG2 ARG 3 HG2 ARG 3 6.137 -3.376 -11.615
23 HG3 ARG 3 HG1 ARG 3 5.646 -4.608 -10.381
24 HD2 ARG 3 HD2 ARG 3 3.210 -3.930 -10.807
25 HD3 ARG 3 HD1 ARG 3 3.807 -2.910 -12.187
26 HE ARG 3 HE ARG 3 4.889 -5.539 -12.523
27 HH11 ARG 3 HH11 ARG 3 1.757 -3.845 -12.456
28 HH12 ARG 3 HH12 ARG 3 0.968 -4.935 -13.545
29 HH21 ARG 3 HH21 ARG 3 3.815 -7.025 -14.003
30 HH22 ARG 3 HH22 ARG 3 2.159 -6.775 -14.439
31 H ILE 4 HN ILE 4 6.754 -0.955 -10.465
32 HA ILE 4 HA ILE 4 8.621 0.601 -9.994
33 HB ILE 4 HB ILE 4 6.780 2.483 -10.221
34 HG12 ILE 4 HG12 ILE 4 4.741 1.598 -11.239
35 HG13 ILE 4 HG11 ILE 4 5.383 -0.074 -11.207
36 HG21 ILE 4 HG21 ILE 4 8.518 1.909 -11.908
37 HG22 ILE 4 HG22 ILE 4 6.907 2.023 -12.710
38 HG23 ILE 4 HG23 ILE 4 7.619 0.404 -12.347
39 HD11 ILE 4 HD11 ILE 4 5.134 -0.259 -8.780
40 HD12 ILE 4 HD12 ILE 4 3.633 0.574 -9.362
41 HD13 ILE 4 HD13 ILE 4 4.964 1.536 -8.619
42 H SER 5 HN SER 5 6.315 0.016 -7.651
43 HA SER 5 HA SER 5 6.197 2.344 -6.247
44 HB2 SER 5 HB2 SER 5 6.190 -0.516 -5.409
45 HB3 SER 5 HB1 SER 5 5.718 0.838 -4.301
46 HG SER 5 HG SER 5 3.847 0.920 -5.230
47 H ARG 6 HN ARG 6 8.171 -0.373 -6.428
48 HA ARG 6 HA ARG 6 9.695 -0.005 -4.113
49 HB2 ARG 6 HB2 ARG 6 10.818 -1.936 -4.955
50 HB3 ARG 6 HB1 ARG 6 9.085 -2.099 -5.475
51 HG2 ARG 6 HG2 ARG 6 9.778 -0.778 -7.557
52 HG3 ARG 6 HG1 ARG 6 11.479 -1.258 -7.117
53 HD2 ARG 6 HD2 ARG 6 9.122 -3.186 -7.351
54 HD3 ARG 6 HD1 ARG 6 10.325 -2.871 -8.685
55 HE ARG 6 HE ARG 6 11.694 -3.519 -6.204
56 HH11 ARG 6 HH11 ARG 6 9.748 -4.937 -8.831
57 HH12 ARG 6 HH12 ARG 6 10.461 -6.512 -8.721
58 HH21 ARG 6 HH21 ARG 6 12.665 -5.664 -6.053
59 HH22 ARG 6 HH22 ARG 6 12.147 -6.932 -7.113
60 H ILE 7 HN ILE 7 9.420 1.226 -7.255
61 HA ILE 7 HA ILE 7 12.141 1.920 -7.359
62 HB ILE 7 HB ILE 7 9.882 2.097 -9.265
63 HG12 ILE 7 HG12 ILE 7 12.507 0.643 -9.615
64 HG13 ILE 7 HG11 ILE 7 11.376 0.071 -8.343
65 HG21 ILE 7 HG21 ILE 7 11.243 4.100 -9.657
66 HG22 ILE 7 HG22 ILE 7 11.668 2.887 -10.926
67 HG23 ILE 7 HG23 ILE 7 12.770 3.148 -9.520
68 HD11 ILE 7 HD11 ILE 7 11.269 -0.828 -10.920
69 HD12 ILE 7 HD12 ILE 7 10.154 0.592 -11.044
70 HD13 ILE 7 HD13 ILE 7 9.827 -0.712 -9.828
71 H ILE 8 HN ILE 8 9.172 3.092 -6.523
72 HA ILE 8 HA ILE 8 9.994 5.846 -6.771
73 HB ILE 8 HB ILE 8 7.987 4.726 -4.877
74 HG12 ILE 8 HG12 ILE 8 7.352 3.629 -6.772
75 HG13 ILE 8 HG11 ILE 8 6.278 5.069 -6.792
76 HG21 ILE 8 HG21 ILE 8 7.215 6.933 -4.691
77 HG22 ILE 8 HG22 ILE 8 7.498 7.295 -6.437
78 HG23 ILE 8 HG23 ILE 8 8.880 7.317 -5.273
79 HD11 ILE 8 HD11 ILE 8 7.111 4.698 -9.054
80 HD12 ILE 8 HD12 ILE 8 8.811 4.544 -8.462
81 HD13 ILE 8 HD13 ILE 8 7.975 6.150 -8.406
82 H LEU 9 HN LEU 9 9.659 3.324 -4.668
83 HA LEU 9 HA LEU 9 10.473 4.390 -2.331
84 HB2 LEU 9 HB2 LEU 9 10.164 1.955 -3.766
85 HB3 LEU 9 HB1 LEU 9 11.433 1.858 -2.504
86 HG LEU 9 HG LEU 9 8.697 2.934 -1.778
87 HD11 LEU 9 HD11 LEU 9 8.099 0.908 -3.015
88 HD12 LEU 9 HD12 LEU 9 7.990 0.525 -1.257
89 HD13 LEU 9 HD13 LEU 9 9.413 -0.030 -2.222
90 HD21 LEU 9 HD21 LEU 9 11.112 2.436 -0.449
91 HD22 LEU 9 HD22 LEU 9 10.108 0.991 -0.017
92 HD23 LEU 9 HD23 LEU 9 9.495 2.651 0.343
93 H ASP 10 HN ASP 10 12.098 3.300 -5.093
94 HA ASP 10 HA ASP 10 14.491 3.285 -3.647
95 HB2 ASP 10 HB2 ASP 10 13.448 3.148 -6.378
96 HB3 ASP 10 HB1 ASP 10 15.127 3.781 -6.280
97 H PHE 11 HN PHE 11 12.432 5.541 -5.322
98 HA PHE 11 HA PHE 11 14.497 7.526 -5.406
99 HB2 PHE 11 HB2 PHE 11 11.566 7.509 -6.055
100 HB3 PHE 11 HB1 PHE 11 12.700 8.884 -6.481
101 HD1 PHE 11 HD1 PHE 11 11.259 7.571 -8.615
102 HD2 PHE 11 HD2 PHE 11 14.826 6.395 -6.670
103 HE1 PHE 11 HE1 PHE 11 11.849 6.085 -10.420
104 HE2 PHE 11 HE2 PHE 11 15.345 4.959 -8.271
105 HZ PHE 11 HZ PHE 11 13.940 4.756 -10.349
106 H LEU 12 HN LEU 12 12.603 6.187 -3.285
107 HA LEU 12 HA LEU 12 11.979 8.577 -1.992
108 HB2 LEU 12 HB2 LEU 12 11.512 5.704 -1.667
109 HB3 LEU 12 HB1 LEU 12 11.092 6.849 -0.321
110 HG LEU 12 HG LEU 12 10.249 7.069 -3.160
111 HD11 LEU 12 HD11 LEU 12 9.379 5.256 -1.131
112 HD12 LEU 12 HD12 LEU 12 8.786 5.428 -2.820
113 HD13 LEU 12 HD13 LEU 12 8.011 6.385 -1.491
114 HD21 LEU 12 HD21 LEU 12 9.991 8.778 -0.788
115 HD22 LEU 12 HD22 LEU 12 8.407 8.481 -1.611
116 HD23 LEU 12 HD23 LEU 12 9.799 9.174 -2.536
117 H PHE 13 HN PHE 13 13.893 5.705 -1.816
118 HA PHE 13 HA PHE 13 15.306 6.926 0.464
119 HB2 PHE 13 HB2 PHE 13 14.604 4.011 0.145
120 HB3 PHE 13 HB1 PHE 13 15.286 4.798 1.642
121 HD1 PHE 13 HD1 PHE 13 12.717 3.976 -0.428
122 HD2 PHE 13 HD2 PHE 13 13.648 6.312 2.902
123 HE1 PHE 13 HE1 PHE 13 10.547 4.276 -0.163
124 HE2 PHE 13 HE2 PHE 13 11.260 6.603 3.322
125 HZ PHE 13 HZ PHE 13 9.605 5.553 1.799
126 H DLE 14 HN DLE 14 15.210 4.897 -2.428
127 HA DLE 14 HA DLE 14 18.062 4.651 -2.115
128 HB2 DLE 14 HB2 DLE 14 18.274 3.902 -4.421
129 HB3 DLE 14 HB1 DLE 14 16.493 4.190 -4.618
130 HG DLE 14 HG DLE 14 16.941 6.457 -3.691
131 HD11 DLE 14 HD11 DLE 14 19.397 5.375 -3.190
132 HD12 DLE 14 HD12 DLE 14 19.048 7.156 -3.233
133 HD13 DLE 14 HD13 DLE 14 19.758 6.343 -4.685
134 HD21 DLE 14 HD21 DLE 14 16.773 5.444 -6.238
135 HD22 DLE 14 HD22 DLE 14 18.267 6.465 -6.351
136 HD23 DLE 14 HD23 DLE 14 16.698 7.192 -5.803
137 H ARG 15 HN ARG 15 15.634 3.354 -1.158
138 HA ARG 15 HA ARG 15 15.387 1.399 -0.351
139 HB2 ARG 15 HB2 ARG 15 15.793 0.828 -3.286
140 HB3 ARG 15 HB1 ARG 15 15.226 -0.460 -2.145
141 HG2 ARG 15 HG2 ARG 15 13.886 2.253 -1.988
142 HG3 ARG 15 HG1 ARG 15 13.505 1.216 -3.428
143 HD2 ARG 15 HD2 ARG 15 13.553 -0.061 -0.647
144 HD3 ARG 15 HD1 ARG 15 12.109 0.916 -1.143
145 HE ARG 15 HE ARG 15 12.640 -0.748 -3.335
146 HH11 ARG 15 HH11 ARG 15 11.965 -1.128 0.145
147 HH12 ARG 15 HH12 ARG 15 11.202 -2.675 -0.007
148 HH21 ARG 15 HH21 ARG 15 11.602 -2.871 -3.540
149 HH22 ARG 15 HH22 ARG 15 10.993 -3.682 -2.136
150 H LYS 16 HN LYS 16 17.768 2.590 -0.375
151 HA LYS 16 HA LYS 16 19.809 0.552 -0.525
152 HB2 LYS 16 HB2 LYS 16 21.394 2.501 -0.369
153 HB3 LYS 16 HB1 LYS 16 20.294 2.600 -1.802
154 HG2 LYS 16 HG2 LYS 16 18.795 4.097 -0.610
155 HG3 LYS 16 HG1 LYS 16 19.775 3.994 0.882
156 HD2 LYS 16 HD2 LYS 16 21.615 5.187 -0.138
157 HD3 LYS 16 HD1 LYS 16 20.924 4.998 -1.788
158 HE2 LYS 16 HE2 LYS 16 19.022 6.506 -1.212
159 HE3 LYS 16 HE1 LYS 16 19.627 6.646 0.492
160 HZ1 LYS 16 HZ1 LYS 16 21.277 7.377 -1.867
161 HZ2 LYS 16 HZ2 LYS 16 21.522 7.778 -0.236
162 HZ3 LYS 16 HZ3 LYS 16 20.231 8.468 -1.097
163 H LYS 17 HN LYS 17 17.772 2.456 1.463
164 HA LYS 17 HA LYS 17 19.105 1.385 3.762
165 HB2 LYS 17 HB2 LYS 17 18.405 4.349 3.433
166 HB3 LYS 17 HB1 LYS 17 18.922 3.589 4.984
167 HG2 LYS 17 HG2 LYS 17 20.629 3.519 2.426
168 HG3 LYS 17 HG1 LYS 17 20.753 4.832 3.656
169 HD2 LYS 17 HD2 LYS 17 21.279 3.071 5.405
170 HD3 LYS 17 HD1 LYS 17 21.233 1.818 4.118
171 HE2 LYS 17 HE2 LYS 17 23.130 2.961 2.928
172 HE3 LYS 17 HE1 LYS 17 23.175 4.226 4.227
173 HZ1 LYS 17 HZ1 LYS 17 24.791 2.466 4.547
174 HZ2 LYS 17 HZ2 LYS 17 23.557 1.304 4.640
175 HZ3 LYS 17 HZ3 LYS 17 23.669 2.520 5.820
Start of MODEL 7
1 H1 GLU 1 HT1 GLU 1 8.841 -9.543 -7.312
2 H2 GLU 1 HT2 GLU 1 8.832 -9.595 -9.011
3 H3 GLU 1 HT3 GLU 1 7.875 -10.681 -8.123
4 HA GLU 1 HA GLU 1 6.968 -8.451 -9.203
5 HB2 GLU 1 HB2 GLU 1 6.099 -9.827 -6.600
6 HB3 GLU 1 HB1 GLU 1 5.086 -8.599 -7.442
7 HG2 GLU 1 HG2 GLU 1 4.958 -10.042 -9.474
8 HG3 GLU 1 HG1 GLU 1 6.039 -11.264 -8.696
9 H MET 2 HN MET 2 6.178 -6.323 -8.446
10 HA MET 2 HA MET 2 7.272 -5.367 -5.938
11 HB2 MET 2 HB2 MET 2 7.940 -3.097 -7.285
12 HB3 MET 2 HB1 MET 2 9.174 -4.458 -7.102
13 HG2 MET 2 HG2 MET 2 7.312 -4.667 -9.477
14 HG3 MET 2 HG1 MET 2 8.508 -3.346 -9.511
15 HE1 MET 2 HE1 MET 2 11.179 -3.788 -10.279
16 HE2 MET 2 HE2 MET 2 11.902 -4.952 -9.114
17 HE3 MET 2 HE3 MET 2 10.771 -3.683 -8.529
18 H ARG 3 HN ARG 3 6.728 -3.550 -5.336
19 HA ARG 3 HA ARG 3 4.552 -2.531 -6.762
20 HB2 ARG 3 HB2 ARG 3 5.116 -2.773 -3.916
21 HB3 ARG 3 HB1 ARG 3 4.469 -1.146 -4.451
22 HG2 ARG 3 HG2 ARG 3 2.483 -2.420 -4.262
23 HG3 ARG 3 HG1 ARG 3 2.959 -2.507 -6.019
24 HD2 ARG 3 HD2 ARG 3 3.642 -4.740 -5.896
25 HD3 ARG 3 HD1 ARG 3 3.884 -4.710 -4.088
26 HE ARG 3 HE ARG 3 1.108 -4.208 -4.625
27 HH11 ARG 3 HH11 ARG 3 3.586 -6.740 -4.980
28 HH12 ARG 3 HH12 ARG 3 2.484 -8.064 -4.806
29 HH21 ARG 3 HH21 ARG 3 -0.397 -6.012 -4.381
30 HH22 ARG 3 HH22 ARG 3 0.181 -7.642 -4.459
31 H ILE 4 HN ILE 4 4.902 -1.179 -7.981
32 HA ILE 4 HA ILE 4 7.246 -0.289 -8.666
33 HB ILE 4 HB ILE 4 4.856 1.375 -8.994
34 HG12 ILE 4 HG12 ILE 4 3.835 -0.748 -9.236
35 HG13 ILE 4 HG11 ILE 4 4.300 -0.327 -10.932
36 HG21 ILE 4 HG21 ILE 4 5.830 1.595 -11.329
37 HG22 ILE 4 HG22 ILE 4 7.230 0.597 -10.778
38 HG23 ILE 4 HG23 ILE 4 6.902 2.201 -10.006
39 HD11 ILE 4 HD11 ILE 4 6.603 -1.692 -9.859
40 HD12 ILE 4 HD12 ILE 4 5.379 -2.362 -11.016
41 HD13 ILE 4 HD13 ILE 4 5.165 -2.606 -9.231
42 H SER 5 HN SER 5 5.556 0.458 -6.111
43 HA SER 5 HA SER 5 6.037 3.070 -5.771
44 HB2 SER 5 HB2 SER 5 5.438 0.816 -3.927
45 HB3 SER 5 HB1 SER 5 5.432 2.551 -3.369
46 HG SER 5 HG SER 5 3.582 2.874 -4.348
47 H ARG 6 HN ARG 6 7.343 0.160 -4.898
48 HA ARG 6 HA ARG 6 9.014 1.050 -2.856
49 HB2 ARG 6 HB2 ARG 6 9.468 -1.221 -2.718
50 HB3 ARG 6 HB1 ARG 6 7.876 -1.235 -3.617
51 HG2 ARG 6 HG2 ARG 6 9.093 -1.105 -5.730
52 HG3 ARG 6 HG1 ARG 6 10.658 -1.374 -4.848
53 HD2 ARG 6 HD2 ARG 6 8.188 -3.153 -4.594
54 HD3 ARG 6 HD1 ARG 6 9.602 -3.501 -5.691
55 HE ARG 6 HE ARG 6 10.574 -3.016 -3.026
56 HH11 ARG 6 HH11 ARG 6 8.766 -5.391 -4.968
57 HH12 ARG 6 HH12 ARG 6 9.196 -6.752 -3.990
58 HH21 ARG 6 HH21 ARG 6 11.165 -4.874 -1.695
59 HH22 ARG 6 HH22 ARG 6 10.580 -6.453 -2.099
60 H ILE 7 HN ILE 7 8.854 1.146 -6.224
61 HA ILE 7 HA ILE 7 11.635 1.123 -6.545
62 HB ILE 7 HB ILE 7 9.357 1.377 -8.406
63 HG12 ILE 7 HG12 ILE 7 11.364 -0.847 -8.329
64 HG13 ILE 7 HG11 ILE 7 10.204 -0.687 -6.962
65 HG21 ILE 7 HG21 ILE 7 11.215 0.998 -10.186
66 HG22 ILE 7 HG22 ILE 7 12.388 1.466 -8.895
67 HG23 ILE 7 HG23 ILE 7 11.132 2.642 -9.443
68 HD11 ILE 7 HD11 ILE 7 8.490 -1.475 -8.192
69 HD12 ILE 7 HD12 ILE 7 9.692 -1.898 -9.485
70 HD13 ILE 7 HD13 ILE 7 8.825 -0.311 -9.532
71 H ILE 8 HN ILE 8 9.066 3.158 -6.113
72 HA ILE 8 HA ILE 8 10.430 5.437 -7.239
73 HB ILE 8 HB ILE 8 8.341 5.424 -5.112
74 HG12 ILE 8 HG12 ILE 8 7.433 3.894 -6.554
75 HG13 ILE 8 HG11 ILE 8 6.631 5.427 -7.048
76 HG21 ILE 8 HG21 ILE 8 9.709 7.499 -6.351
77 HG22 ILE 8 HG22 ILE 8 8.042 7.680 -5.680
78 HG23 ILE 8 HG23 ILE 8 8.276 7.378 -7.444
79 HD11 ILE 8 HD11 ILE 8 8.490 5.571 -8.883
80 HD12 ILE 8 HD12 ILE 8 7.235 4.278 -9.075
81 HD13 ILE 8 HD13 ILE 8 8.871 3.859 -8.437
82 H LEU 9 HN LEU 9 9.690 3.862 -4.417
83 HA LEU 9 HA LEU 9 10.889 5.408 -2.571
84 HB2 LEU 9 HB2 LEU 9 9.949 2.782 -3.099
85 HB3 LEU 9 HB1 LEU 9 11.291 2.806 -1.906
86 HG LEU 9 HG LEU 9 9.074 4.742 -1.395
87 HD11 LEU 9 HD11 LEU 9 8.639 1.698 -1.131
88 HD12 LEU 9 HD12 LEU 9 7.772 2.805 -2.253
89 HD13 LEU 9 HD13 LEU 9 7.547 2.977 -0.475
90 HD21 LEU 9 HD21 LEU 9 9.846 4.515 0.760
91 HD22 LEU 9 HD22 LEU 9 11.278 3.752 -0.050
92 HD23 LEU 9 HD23 LEU 9 9.961 2.716 0.639
93 H ASP 10 HN ASP 10 12.026 3.142 -4.802
94 HA ASP 10 HA ASP 10 14.447 2.945 -3.451
95 HB2 ASP 10 HB2 ASP 10 13.151 2.315 -6.001
96 HB3 ASP 10 HB1 ASP 10 14.921 2.514 -6.161
97 H PHE 11 HN PHE 11 12.870 5.065 -5.714
98 HA PHE 11 HA PHE 11 15.326 6.380 -6.405
99 HB2 PHE 11 HB2 PHE 11 12.430 6.833 -7.071
100 HB3 PHE 11 HB1 PHE 11 13.814 7.697 -7.899
101 HD1 PHE 11 HD1 PHE 11 11.962 6.167 -9.510
102 HD2 PHE 11 HD2 PHE 11 15.287 4.870 -7.273
103 HE1 PHE 11 HE1 PHE 11 12.077 4.096 -10.742
104 HE2 PHE 11 HE2 PHE 11 15.374 2.920 -8.315
105 HZ PHE 11 HZ PHE 11 13.819 2.405 -10.233
106 H LEU 12 HN LEU 12 13.257 6.276 -4.026
107 HA LEU 12 HA LEU 12 13.214 9.028 -3.626
108 HB2 LEU 12 HB2 LEU 12 12.199 6.592 -2.371
109 HB3 LEU 12 HB1 LEU 12 12.079 8.166 -1.478
110 HG LEU 12 HG LEU 12 11.135 7.596 -4.239
111 HD11 LEU 12 HD11 LEU 12 10.029 6.816 -1.726
112 HD12 LEU 12 HD12 LEU 12 9.378 6.536 -3.380
113 HD13 LEU 12 HD13 LEU 12 8.911 8.031 -2.467
114 HD21 LEU 12 HD21 LEU 12 11.217 9.837 -4.383
115 HD22 LEU 12 HD22 LEU 12 11.325 10.036 -2.591
116 HD23 LEU 12 HD23 LEU 12 9.712 9.808 -3.381
117 H PHE 13 HN PHE 13 14.497 6.086 -2.430
118 HA PHE 13 HA PHE 13 16.152 7.658 -0.579
119 HB2 PHE 13 HB2 PHE 13 14.942 4.948 -0.097
120 HB3 PHE 13 HB1 PHE 13 15.736 6.008 1.156
121 HD1 PHE 13 HD1 PHE 13 13.036 4.996 -0.627
122 HD2 PHE 13 HD2 PHE 13 14.418 8.163 1.720
123 HE1 PHE 13 HE1 PHE 13 10.941 5.742 -0.570
124 HE2 PHE 13 HE2 PHE 13 12.126 8.978 1.913
125 HZ PHE 13 HZ PHE 13 10.285 7.759 0.783
126 H DLE 14 HN DLE 14 15.657 4.910 -2.695
127 HA DLE 14 HA DLE 14 18.330 4.223 -2.019
128 HB2 DLE 14 HB2 DLE 14 17.749 5.035 -4.520
129 HB3 DLE 14 HB1 DLE 14 19.130 3.973 -4.071
130 HG DLE 14 HG DLE 14 16.485 2.686 -4.569
131 HD11 DLE 14 HD11 DLE 14 16.575 2.941 -6.933
132 HD12 DLE 14 HD12 DLE 14 18.209 3.692 -6.882
133 HD13 DLE 14 HD13 DLE 14 16.776 4.592 -6.232
134 HD21 DLE 14 HD21 DLE 14 18.884 1.640 -5.952
135 HD22 DLE 14 HD22 DLE 14 17.745 0.845 -4.790
136 HD23 DLE 14 HD23 DLE 14 19.117 1.830 -4.165
137 H ARG 15 HN ARG 15 15.584 3.652 -1.154
138 HA ARG 15 HA ARG 15 14.960 1.964 0.147
139 HB2 ARG 15 HB2 ARG 15 15.230 0.716 -2.579
140 HB3 ARG 15 HB1 ARG 15 14.561 -0.219 -1.188
141 HG2 ARG 15 HG2 ARG 15 13.548 2.599 -1.649
142 HG3 ARG 15 HG1 ARG 15 12.971 1.291 -2.764
143 HD2 ARG 15 HD2 ARG 15 12.976 0.917 0.290
144 HD3 ARG 15 HD1 ARG 15 11.580 1.705 -0.565
145 HE ARG 15 HE ARG 15 12.144 -0.636 -2.019
146 HH11 ARG 15 HH11 ARG 15 11.234 0.280 1.306
147 HH12 ARG 15 HH12 ARG 15 10.370 -1.182 1.644
148 HH21 ARG 15 HH21 ARG 15 10.964 -2.636 -1.551
149 HH22 ARG 15 HH22 ARG 15 10.214 -2.868 -0.008
150 H LYS 16 HN LYS 16 17.491 2.693 0.003
151 HA LYS 16 HA LYS 16 19.066 0.311 0.572
152 HB2 LYS 16 HB2 LYS 16 21.038 1.577 -0.110
153 HB3 LYS 16 HB1 LYS 16 19.797 1.802 -1.400
154 HG2 LYS 16 HG2 LYS 16 19.099 3.964 -0.273
155 HG3 LYS 16 HG1 LYS 16 20.486 3.775 0.855
156 HD2 LYS 16 HD2 LYS 16 22.060 4.299 -0.769
157 HD3 LYS 16 HD1 LYS 16 21.104 3.562 -2.101
158 HE2 LYS 16 HE2 LYS 16 19.620 5.527 -2.237
159 HE3 LYS 16 HE1 LYS 16 20.331 6.230 -0.726
160 HZ1 LYS 16 HZ1 LYS 16 22.242 5.590 -2.814
161 HZ2 LYS 16 HZ2 LYS 16 22.095 6.967 -1.830
162 HZ3 LYS 16 HZ3 LYS 16 21.120 6.802 -3.211
163 H LYS 17 HN LYS 17 17.137 2.476 1.998
164 HA LYS 17 HA LYS 17 18.944 2.653 4.254
165 HB2 LYS 17 HB2 LYS 17 17.139 4.897 3.212
166 HB3 LYS 17 HB1 LYS 17 18.025 4.943 4.783
167 HG2 LYS 17 HG2 LYS 17 20.194 4.700 3.552
168 HG3 LYS 17 HG1 LYS 17 19.294 4.681 1.997
169 HD2 LYS 17 HD2 LYS 17 18.416 6.983 2.479
170 HD3 LYS 17 HD1 LYS 17 19.321 7.004 4.032
171 HE2 LYS 17 HE2 LYS 17 20.623 6.724 1.240
172 HE3 LYS 17 HE1 LYS 17 20.525 8.257 2.202
173 HZ1 LYS 17 HZ1 LYS 17 22.420 7.598 3.063
174 HZ2 LYS 17 HZ2 LYS 17 22.283 6.014 2.464
175 HZ3 LYS 17 HZ3 LYS 17 21.549 6.430 3.936
Start of MODEL 8
1 H1 GLU 1 HT1 GLU 1 5.792 -8.193 -7.596
2 H2 GLU 1 HT2 GLU 1 6.134 -9.817 -7.958
3 H3 GLU 1 HT3 GLU 1 6.006 -8.677 -9.210
4 HA GLU 1 HA GLU 1 8.232 -9.381 -7.610
5 HB2 GLU 1 HB2 GLU 1 8.145 -9.286 -10.133
6 HB3 GLU 1 HB1 GLU 1 7.916 -7.505 -10.026
7 HG2 GLU 1 HG2 GLU 1 10.166 -7.254 -8.947
8 HG3 GLU 1 HG1 GLU 1 10.399 -9.046 -9.001
9 H MET 2 HN MET 2 6.551 -6.248 -8.360
10 HA MET 2 HA MET 2 7.582 -5.156 -5.906
11 HB2 MET 2 HB2 MET 2 8.127 -2.864 -7.289
12 HB3 MET 2 HB1 MET 2 9.443 -4.113 -6.990
13 HG2 MET 2 HG2 MET 2 8.241 -5.078 -9.360
14 HG3 MET 2 HG1 MET 2 8.158 -3.306 -9.548
15 HE1 MET 2 HE1 MET 2 9.720 -3.311 -11.700
16 HE2 MET 2 HE2 MET 2 9.408 -5.068 -11.488
17 HE3 MET 2 HE3 MET 2 11.073 -4.487 -11.835
18 H ARG 3 HN ARG 3 6.927 -3.361 -5.358
19 HA ARG 3 HA ARG 3 4.616 -2.574 -6.724
20 HB2 ARG 3 HB2 ARG 3 5.318 -2.696 -3.901
21 HB3 ARG 3 HB1 ARG 3 4.555 -1.121 -4.432
22 HG2 ARG 3 HG2 ARG 3 2.654 -2.484 -4.128
23 HG3 ARG 3 HG1 ARG 3 3.049 -2.601 -5.898
24 HD2 ARG 3 HD2 ARG 3 2.471 -4.852 -4.928
25 HD3 ARG 3 HD1 ARG 3 4.186 -4.776 -5.531
26 HE ARG 3 HE ARG 3 4.078 -4.076 -2.710
27 HH11 ARG 3 HH11 ARG 3 3.771 -6.787 -4.997
28 HH12 ARG 3 HH12 ARG 3 4.319 -7.994 -3.882
29 HH21 ARG 3 HH21 ARG 3 4.826 -5.715 -1.191
30 HH22 ARG 3 HH22 ARG 3 4.929 -7.373 -1.681
31 H ILE 4 HN ILE 4 4.752 -1.165 -7.929
32 HA ILE 4 HA ILE 4 6.976 -0.092 -8.769
33 HB ILE 4 HB ILE 4 4.485 1.404 -8.968
34 HG12 ILE 4 HG12 ILE 4 3.553 -0.780 -9.100
35 HG13 ILE 4 HG11 ILE 4 3.898 -0.390 -10.829
36 HG21 ILE 4 HG21 ILE 4 6.799 0.699 -10.855
37 HG22 ILE 4 HG22 ILE 4 6.387 2.310 -10.147
38 HG23 ILE 4 HG23 ILE 4 5.304 1.562 -11.386
39 HD11 ILE 4 HD11 ILE 4 5.115 -2.348 -10.943
40 HD12 ILE 4 HD12 ILE 4 4.942 -2.601 -9.153
41 HD13 ILE 4 HD13 ILE 4 6.323 -1.624 -9.800
42 H SER 5 HN SER 5 5.590 0.509 -6.016
43 HA SER 5 HA SER 5 5.973 3.210 -5.862
44 HB2 SER 5 HB2 SER 5 5.215 1.074 -3.930
45 HB3 SER 5 HB1 SER 5 5.277 2.833 -3.453
46 HG SER 5 HG SER 5 3.506 3.225 -4.582
47 H ARG 6 HN ARG 6 7.174 0.291 -4.893
48 HA ARG 6 HA ARG 6 8.826 1.204 -2.819
49 HB2 ARG 6 HB2 ARG 6 9.160 -1.048 -2.540
50 HB3 ARG 6 HB1 ARG 6 7.625 -1.063 -3.525
51 HG2 ARG 6 HG2 ARG 6 8.971 -1.094 -5.558
52 HG3 ARG 6 HG1 ARG 6 10.458 -1.393 -4.566
53 HD2 ARG 6 HD2 ARG 6 7.870 -2.990 -4.324
54 HD3 ARG 6 HD1 ARG 6 9.295 -3.526 -5.317
55 HE ARG 6 HE ARG 6 9.153 -3.385 -2.342
56 HH11 ARG 6 HH11 ARG 6 11.091 -3.822 -5.306
57 HH12 ARG 6 HH12 ARG 6 12.415 -4.605 -4.511
58 HH21 ARG 6 HH21 ARG 6 10.963 -4.465 -1.266
59 HH22 ARG 6 HH22 ARG 6 12.341 -4.973 -2.182
60 H ILE 7 HN ILE 7 8.674 1.200 -6.143
61 HA ILE 7 HA ILE 7 11.432 1.022 -6.580
62 HB ILE 7 HB ILE 7 9.035 1.477 -8.262
63 HG12 ILE 7 HG12 ILE 7 10.963 -0.849 -8.215
64 HG13 ILE 7 HG11 ILE 7 9.621 -0.674 -7.028
65 HG21 ILE 7 HG21 ILE 7 12.012 1.355 -9.037
66 HG22 ILE 7 HG22 ILE 7 10.833 2.680 -9.380
67 HG23 ILE 7 HG23 ILE 7 10.675 1.088 -10.217
68 HD11 ILE 7 HD11 ILE 7 9.446 -1.657 -9.742
69 HD12 ILE 7 HD12 ILE 7 8.557 -0.083 -9.653
70 HD13 ILE 7 HD13 ILE 7 8.127 -1.424 -8.525
71 H ILE 8 HN ILE 8 8.956 3.224 -6.132
72 HA ILE 8 HA ILE 8 10.437 5.412 -7.277
73 HB ILE 8 HB ILE 8 8.358 5.517 -5.146
74 HG12 ILE 8 HG12 ILE 8 7.396 4.005 -6.574
75 HG13 ILE 8 HG11 ILE 8 6.642 5.563 -7.068
76 HG21 ILE 8 HG21 ILE 8 8.139 7.777 -5.752
77 HG22 ILE 8 HG22 ILE 8 8.398 7.444 -7.506
78 HG23 ILE 8 HG23 ILE 8 9.811 7.520 -6.384
79 HD11 ILE 8 HD11 ILE 8 8.483 5.631 -8.925
80 HD12 ILE 8 HD12 ILE 8 7.187 4.371 -9.092
81 HD13 ILE 8 HD13 ILE 8 8.818 3.912 -8.462
82 H LEU 9 HN LEU 9 9.624 3.925 -4.424
83 HA LEU 9 HA LEU 9 10.892 5.450 -2.612
84 HB2 LEU 9 HB2 LEU 9 9.829 2.865 -3.090
85 HB3 LEU 9 HB1 LEU 9 11.168 2.843 -1.891
86 HG LEU 9 HG LEU 9 9.030 4.894 -1.450
87 HD11 LEU 9 HD11 LEU 9 7.449 3.215 -0.457
88 HD12 LEU 9 HD12 LEU 9 8.501 1.879 -1.069
89 HD13 LEU 9 HD13 LEU 9 7.661 2.969 -2.229
90 HD21 LEU 9 HD21 LEU 9 11.203 3.887 -0.069
91 HD22 LEU 9 HD22 LEU 9 9.853 2.923 0.663
92 HD23 LEU 9 HD23 LEU 9 9.800 4.727 0.711
93 H ASP 10 HN ASP 10 11.929 3.082 -4.791
94 HA ASP 10 HA ASP 10 14.340 2.824 -3.422
95 HB2 ASP 10 HB2 ASP 10 13.013 2.146 -5.942
96 HB3 ASP 10 HB1 ASP 10 14.789 2.275 -6.117
97 H PHE 11 HN PHE 11 12.857 4.932 -5.754
98 HA PHE 11 HA PHE 11 15.369 6.126 -6.474
99 HB2 PHE 11 HB2 PHE 11 12.494 6.687 -7.158
100 HB3 PHE 11 HB1 PHE 11 13.920 7.459 -8.011
101 HD1 PHE 11 HD1 PHE 11 11.994 5.953 -9.570
102 HD2 PHE 11 HD2 PHE 11 15.271 4.597 -7.301
103 HE1 PHE 11 HE1 PHE 11 12.019 3.838 -10.729
104 HE2 PHE 11 HE2 PHE 11 15.273 2.610 -8.276
105 HZ PHE 11 HZ PHE 11 13.690 2.094 -10.166
106 H LEU 12 HN LEU 12 13.298 6.181 -4.093
107 HA LEU 12 HA LEU 12 13.362 8.944 -3.783
108 HB2 LEU 12 HB2 LEU 12 12.248 6.590 -2.458
109 HB3 LEU 12 HB1 LEU 12 12.197 8.194 -1.608
110 HG LEU 12 HG LEU 12 11.235 7.600 -4.357
111 HD11 LEU 12 HD11 LEU 12 9.438 6.623 -3.476
112 HD12 LEU 12 HD12 LEU 12 9.023 8.157 -2.607
113 HD13 LEU 12 HD13 LEU 12 10.092 6.919 -1.829
114 HD21 LEU 12 HD21 LEU 12 11.534 10.061 -2.765
115 HD22 LEU 12 HD22 LEU 12 9.900 9.885 -3.526
116 HD23 LEU 12 HD23 LEU 12 11.391 9.832 -4.548
117 H PHE 13 HN PHE 13 14.524 5.995 -2.487
118 HA PHE 13 HA PHE 13 16.236 7.566 -0.685
119 HB2 PHE 13 HB2 PHE 13 14.922 4.918 -0.125
120 HB3 PHE 13 HB1 PHE 13 15.762 5.979 1.098
121 HD1 PHE 13 HD1 PHE 13 13.027 5.032 -0.660
122 HD2 PHE 13 HD2 PHE 13 14.531 8.200 1.608
123 HE1 PHE 13 HE1 PHE 13 10.963 5.864 -0.630
124 HE2 PHE 13 HE2 PHE 13 12.273 9.113 1.773
125 HZ PHE 13 HZ PHE 13 10.387 7.941 0.669
126 H DLE 14 HN DLE 14 15.649 4.784 -2.730
127 HA DLE 14 HA DLE 14 18.297 4.026 -2.032
128 HB2 DLE 14 HB2 DLE 14 17.724 4.761 -4.557
129 HB3 DLE 14 HB1 DLE 14 19.074 3.672 -4.076
130 HG DLE 14 HG DLE 14 16.381 2.455 -4.509
131 HD11 DLE 14 HD11 DLE 14 16.735 4.285 -6.248
132 HD12 DLE 14 HD12 DLE 14 16.468 2.613 -6.883
133 HD13 DLE 14 HD13 DLE 14 18.127 3.310 -6.869
134 HD21 DLE 14 HD21 DLE 14 18.996 1.533 -4.096
135 HD22 DLE 14 HD22 DLE 14 18.721 1.266 -5.867
136 HD23 DLE 14 HD23 DLE 14 17.579 0.568 -4.647
137 H ARG 15 HN ARG 15 15.526 3.581 -1.150
138 HA ARG 15 HA ARG 15 14.851 1.976 0.224
139 HB2 ARG 15 HB2 ARG 15 15.070 0.605 -2.447
140 HB3 ARG 15 HB1 ARG 15 14.365 -0.244 -1.019
141 HG2 ARG 15 HG2 ARG 15 13.467 2.592 -1.601
142 HG3 ARG 15 HG1 ARG 15 12.833 1.262 -2.658
143 HD2 ARG 15 HD2 ARG 15 12.833 0.969 0.398
144 HD3 ARG 15 HD1 ARG 15 11.498 1.866 -0.445
145 HE ARG 15 HE ARG 15 11.824 -0.528 -1.882
146 HH11 ARG 15 HH11 ARG 15 11.106 0.481 1.461
147 HH12 ARG 15 HH12 ARG 15 10.115 -0.889 1.833
148 HH21 ARG 15 HH21 ARG 15 10.464 -2.401 -1.372
149 HH22 ARG 15 HH22 ARG 15 9.744 -2.554 0.196
150 H LYS 16 HN LYS 16 17.406 2.611 0.050
151 HA LYS 16 HA LYS 16 18.906 0.202 0.709
152 HB2 LYS 16 HB2 LYS 16 20.919 1.385 -0.002
153 HB3 LYS 16 HB1 LYS 16 19.690 1.599 -1.307
154 HG2 LYS 16 HG2 LYS 16 19.052 3.819 -0.266
155 HG3 LYS 16 HG1 LYS 16 20.421 3.630 0.885
156 HD2 LYS 16 HD2 LYS 16 22.025 4.053 -0.739
157 HD3 LYS 16 HD1 LYS 16 21.064 3.292 -2.054
158 HE2 LYS 16 HE2 LYS 16 19.640 5.288 -2.285
159 HE3 LYS 16 HE1 LYS 16 20.336 6.022 -0.783
160 HZ1 LYS 16 HZ1 LYS 16 22.227 6.576 -1.841
161 HZ2 LYS 16 HZ2 LYS 16 21.183 6.615 -3.180
162 HZ3 LYS 16 HZ3 LYS 16 22.189 5.270 -2.925
163 H LYS 17 HN LYS 17 17.053 2.489 2.061
164 HA LYS 17 HA LYS 17 18.875 2.671 4.307
165 HB2 LYS 17 HB2 LYS 17 17.127 4.935 3.213
166 HB3 LYS 17 HB1 LYS 17 18.027 5.000 4.774
167 HG2 LYS 17 HG2 LYS 17 20.179 4.663 3.535
168 HG3 LYS 17 HG1 LYS 17 19.266 4.622 1.988
169 HD2 LYS 17 HD2 LYS 17 18.463 6.960 2.392
170 HD3 LYS 17 HD1 LYS 17 19.355 7.002 3.953
171 HE2 LYS 17 HE2 LYS 17 21.530 6.721 2.727
172 HE3 LYS 17 HE1 LYS 17 20.631 6.667 1.154
173 HZ1 LYS 17 HZ1 LYS 17 21.612 8.870 2.291
174 HZ2 LYS 17 HZ2 LYS 17 20.012 8.922 2.860
175 HZ3 LYS 17 HZ3 LYS 17 20.318 8.845 1.192
Start of MODEL 9
1 H1 GLU 1 HT1 GLU 1 7.482 -7.756 -10.265
2 H2 GLU 1 HT2 GLU 1 6.272 -7.223 -9.196
3 H3 GLU 1 HT3 GLU 1 6.313 -8.848 -9.692
4 HA GLU 1 HA GLU 1 7.357 -9.223 -7.810
5 HB2 GLU 1 HB2 GLU 1 9.180 -9.499 -9.487
6 HB3 GLU 1 HB1 GLU 1 9.574 -7.753 -9.351
7 HG2 GLU 1 HG2 GLU 1 11.224 -9.068 -8.062
8 HG3 GLU 1 HG1 GLU 1 10.212 -8.113 -6.911
9 H MET 2 HN MET 2 7.935 -5.788 -8.804
10 HA MET 2 HA MET 2 8.029 -5.121 -5.931
11 HB2 MET 2 HB2 MET 2 8.449 -2.648 -7.290
12 HB3 MET 2 HB1 MET 2 9.747 -3.652 -6.505
13 HG2 MET 2 HG2 MET 2 8.900 -4.140 -9.410
14 HG3 MET 2 HG1 MET 2 10.182 -2.986 -8.939
15 HE1 MET 2 HE1 MET 2 13.187 -4.830 -7.877
16 HE2 MET 2 HE2 MET 2 12.006 -3.816 -6.977
17 HE3 MET 2 HE3 MET 2 12.453 -3.392 -8.666
18 H ARG 3 HN ARG 3 7.328 -3.227 -5.360
19 HA ARG 3 HA ARG 3 4.884 -2.699 -6.622
20 HB2 ARG 3 HB2 ARG 3 5.766 -2.687 -3.844
21 HB3 ARG 3 HB1 ARG 3 4.787 -1.227 -4.346
22 HG2 ARG 3 HG2 ARG 3 3.116 -2.837 -3.860
23 HG3 ARG 3 HG1 ARG 3 3.355 -2.880 -5.662
24 HD2 ARG 3 HD2 ARG 3 4.502 -4.946 -5.612
25 HD3 ARG 3 HD1 ARG 3 4.848 -4.850 -3.824
26 HE ARG 3 HE ARG 3 2.008 -4.834 -4.149
27 HH11 ARG 3 HH11 ARG 3 4.821 -6.925 -4.781
28 HH12 ARG 3 HH12 ARG 3 3.956 -8.412 -4.574
29 HH21 ARG 3 HH21 ARG 3 0.831 -6.856 -3.868
30 HH22 ARG 3 HH22 ARG 3 1.649 -8.371 -4.047
31 H ILE 4 HN ILE 4 4.723 -1.215 -7.750
32 HA ILE 4 HA ILE 4 6.782 0.046 -8.774
33 HB ILE 4 HB ILE 4 4.174 1.319 -8.733
34 HG12 ILE 4 HG12 ILE 4 3.414 -0.939 -8.814
35 HG13 ILE 4 HG11 ILE 4 3.585 -0.523 -10.563
36 HG21 ILE 4 HG21 ILE 4 5.897 2.379 -10.059
37 HG22 ILE 4 HG22 ILE 4 4.766 1.562 -11.211
38 HG23 ILE 4 HG23 ILE 4 6.361 0.809 -10.825
39 HD11 ILE 4 HD11 ILE 4 4.985 -2.619 -8.957
40 HD12 ILE 4 HD12 ILE 4 6.179 -1.547 -9.791
41 HD13 ILE 4 HD13 ILE 4 4.916 -2.410 -10.759
42 H SER 5 HN SER 5 5.572 0.507 -5.879
43 HA SER 5 HA SER 5 5.876 3.244 -5.771
44 HB2 SER 5 HB2 SER 5 5.135 1.153 -3.774
45 HB3 SER 5 HB1 SER 5 5.203 2.923 -3.354
46 HG SER 5 HG SER 5 3.465 3.303 -4.601
47 H ARG 6 HN ARG 6 7.076 0.337 -4.751
48 HA ARG 6 HA ARG 6 8.753 1.349 -2.734
49 HB2 ARG 6 HB2 ARG 6 9.053 -0.880 -2.303
50 HB3 ARG 6 HB1 ARG 6 7.537 -0.952 -3.306
51 HG2 ARG 6 HG2 ARG 6 8.944 -1.119 -5.317
52 HG3 ARG 6 HG1 ARG 6 10.374 -1.415 -4.248
53 HD2 ARG 6 HD2 ARG 6 7.746 -2.884 -3.802
54 HD3 ARG 6 HD1 ARG 6 8.971 -3.517 -4.971
55 HE ARG 6 HE ARG 6 10.249 -2.875 -2.461
56 HH11 ARG 6 HH11 ARG 6 8.046 -5.215 -4.006
57 HH12 ARG 6 HH12 ARG 6 8.505 -6.547 -3.000
58 HH21 ARG 6 HH21 ARG 6 10.873 -4.696 -1.092
59 HH22 ARG 6 HH22 ARG 6 10.133 -6.246 -1.315
60 H ILE 7 HN ILE 7 8.556 1.194 -6.030
61 HA ILE 7 HA ILE 7 11.296 0.954 -6.527
62 HB ILE 7 HB ILE 7 8.860 1.488 -8.135
63 HG12 ILE 7 HG12 ILE 7 10.695 -0.914 -8.090
64 HG13 ILE 7 HG11 ILE 7 9.315 -0.682 -6.946
65 HG21 ILE 7 HG21 ILE 7 11.803 1.252 -9.007
66 HG22 ILE 7 HG22 ILE 7 10.660 2.612 -9.324
67 HG23 ILE 7 HG23 ILE 7 10.422 1.021 -10.142
68 HD11 ILE 7 HD11 ILE 7 8.355 -0.023 -9.593
69 HD12 ILE 7 HD12 ILE 7 7.852 -1.382 -8.522
70 HD13 ILE 7 HD13 ILE 7 9.199 -1.615 -9.713
71 H ILE 8 HN ILE 8 8.869 3.230 -6.084
72 HA ILE 8 HA ILE 8 10.381 5.363 -7.286
73 HB ILE 8 HB ILE 8 8.332 5.543 -5.131
74 HG12 ILE 8 HG12 ILE 8 7.313 4.030 -6.509
75 HG13 ILE 8 HG11 ILE 8 6.595 5.597 -7.038
76 HG21 ILE 8 HG21 ILE 8 8.148 7.797 -5.770
77 HG22 ILE 8 HG22 ILE 8 8.374 7.429 -7.523
78 HG23 ILE 8 HG23 ILE 8 9.805 7.498 -6.422
79 HD11 ILE 8 HD11 ILE 8 7.080 4.385 -9.049
80 HD12 ILE 8 HD12 ILE 8 8.675 3.819 -8.411
81 HD13 ILE 8 HD13 ILE 8 8.462 5.552 -8.896
82 H LEU 9 HN LEU 9 9.569 3.960 -4.389
83 HA LEU 9 HA LEU 9 10.899 5.502 -2.636
84 HB2 LEU 9 HB2 LEU 9 9.758 2.939 -3.026
85 HB3 LEU 9 HB1 LEU 9 11.110 2.913 -1.841
86 HG LEU 9 HG LEU 9 9.065 5.052 -1.423
87 HD11 LEU 9 HD11 LEU 9 7.402 3.473 -0.409
88 HD12 LEU 9 HD12 LEU 9 8.376 2.076 -1.009
89 HD13 LEU 9 HD13 LEU 9 7.595 3.199 -2.179
90 HD21 LEU 9 HD21 LEU 9 9.820 4.864 0.743
91 HD22 LEU 9 HD22 LEU 9 11.189 3.968 -0.038
92 HD23 LEU 9 HD23 LEU 9 9.809 3.057 0.703
93 H ASP 10 HN ASP 10 11.846 3.049 -4.760
94 HA ASP 10 HA ASP 10 14.261 2.757 -3.407
95 HB2 ASP 10 HB2 ASP 10 12.891 2.051 -5.896
96 HB3 ASP 10 HB1 ASP 10 14.668 2.132 -6.095
97 H PHE 11 HN PHE 11 12.813 4.850 -5.777
98 HA PHE 11 HA PHE 11 15.350 5.957 -6.548
99 HB2 PHE 11 HB2 PHE 11 12.487 6.579 -7.222
100 HB3 PHE 11 HB1 PHE 11 13.924 7.291 -8.105
101 HD1 PHE 11 HD1 PHE 11 11.941 5.798 -9.607
102 HD2 PHE 11 HD2 PHE 11 15.207 4.414 -7.337
103 HE1 PHE 11 HE1 PHE 11 11.897 3.655 -10.711
104 HE2 PHE 11 HE2 PHE 11 15.146 2.402 -8.261
105 HZ PHE 11 HZ PHE 11 13.528 1.881 -10.122
106 H LEU 12 HN LEU 12 13.301 6.128 -4.153
107 HA LEU 12 HA LEU 12 13.445 8.895 -3.912
108 HB2 LEU 12 HB2 LEU 12 12.283 6.606 -2.516
109 HB3 LEU 12 HB1 LEU 12 12.281 8.231 -1.709
110 HG LEU 12 HG LEU 12 11.275 7.589 -4.431
111 HD11 LEU 12 HD11 LEU 12 9.098 8.253 -2.675
112 HD12 LEU 12 HD12 LEU 12 10.142 7.008 -1.875
113 HD13 LEU 12 HD13 LEU 12 9.461 6.689 -3.509
114 HD21 LEU 12 HD21 LEU 12 11.495 9.809 -4.685
115 HD22 LEU 12 HD22 LEU 12 11.649 10.085 -2.909
116 HD23 LEU 12 HD23 LEU 12 10.010 9.930 -3.661
117 H PHE 13 HN PHE 13 14.540 5.949 -2.553
118 HA PHE 13 HA PHE 13 16.307 7.517 -0.806
119 HB2 PHE 13 HB2 PHE 13 14.932 4.919 -0.168
120 HB3 PHE 13 HB1 PHE 13 15.807 5.991 1.021
121 HD1 PHE 13 HD1 PHE 13 13.034 5.063 -0.687
122 HD2 PHE 13 HD2 PHE 13 14.638 8.258 1.475
123 HE1 PHE 13 HE1 PHE 13 10.991 5.946 -0.661
124 HE2 PHE 13 HE2 PHE 13 12.404 9.230 1.633
125 HZ PHE 13 HZ PHE 13 10.480 8.074 0.583
126 H DLE 14 HN DLE 14 15.630 4.702 -2.776
127 HA DLE 14 HA DLE 14 18.263 3.893 -2.081
128 HB2 DLE 14 HB2 DLE 14 17.686 4.575 -4.619
129 HB3 DLE 14 HB1 DLE 14 19.010 3.462 -4.123
130 HG DLE 14 HG DLE 14 16.282 2.309 -4.498
131 HD11 DLE 14 HD11 DLE 14 16.669 4.080 -6.290
132 HD12 DLE 14 HD12 DLE 14 16.350 2.400 -6.876
133 HD13 DLE 14 HD13 DLE 14 18.028 3.051 -6.895
134 HD21 DLE 14 HD21 DLE 14 17.427 0.387 -4.589
135 HD22 DLE 14 HD22 DLE 14 18.877 1.329 -4.086
136 HD23 DLE 14 HD23 DLE 14 18.568 1.014 -5.845
137 H ARG 15 HN ARG 15 15.487 3.544 -1.168
138 HA ARG 15 HA ARG 15 14.781 1.996 0.254
139 HB2 ARG 15 HB2 ARG 15 14.945 0.548 -2.380
140 HB3 ARG 15 HB1 ARG 15 14.235 -0.247 -0.925
141 HG2 ARG 15 HG2 ARG 15 13.392 2.590 -1.581
142 HG3 ARG 15 HG1 ARG 15 12.717 1.242 -2.587
143 HD2 ARG 15 HD2 ARG 15 12.744 1.091 0.486
144 HD3 ARG 15 HD1 ARG 15 11.396 1.920 -0.406
145 HE ARG 15 HE ARG 15 11.750 -0.552 -1.697
146 HH11 ARG 15 HH11 ARG 15 11.011 0.657 1.573
147 HH12 ARG 15 HH12 ARG 15 10.039 -0.700 2.034
148 HH21 ARG 15 HH21 ARG 15 10.417 -2.414 -1.064
149 HH22 ARG 15 HH22 ARG 15 9.697 -2.473 0.509
150 H LYS 16 HN LYS 16 17.350 2.561 0.045
151 HA LYS 16 HA LYS 16 18.792 0.134 0.763
152 HB2 LYS 16 HB2 LYS 16 20.830 1.244 0.006
153 HB3 LYS 16 HB1 LYS 16 19.599 1.452 -1.297
154 HG2 LYS 16 HG2 LYS 16 19.022 3.716 -0.318
155 HG3 LYS 16 HG1 LYS 16 20.394 3.527 0.831
156 HD2 LYS 16 HD2 LYS 16 21.998 3.861 -0.814
157 HD3 LYS 16 HD1 LYS 16 21.011 3.086 -2.101
158 HE2 LYS 16 HE2 LYS 16 19.635 5.110 -2.382
159 HE3 LYS 16 HE1 LYS 16 20.363 5.872 -0.909
160 HZ1 LYS 16 HZ1 LYS 16 22.196 5.005 -3.017
161 HZ2 LYS 16 HZ2 LYS 16 22.241 6.367 -2.003
162 HZ3 LYS 16 HZ3 LYS 16 21.204 6.342 -3.348
163 H LYS 17 HN LYS 17 17.007 2.501 2.063
164 HA LYS 17 HA LYS 17 18.854 2.710 4.286
165 HB2 LYS 17 HB2 LYS 17 17.134 4.971 3.144
166 HB3 LYS 17 HB1 LYS 17 18.055 5.067 4.692
167 HG2 LYS 17 HG2 LYS 17 20.183 4.656 3.438
168 HG3 LYS 17 HG1 LYS 17 19.252 4.585 1.903
169 HD2 LYS 17 HD2 LYS 17 18.494 6.948 2.248
170 HD3 LYS 17 HD1 LYS 17 19.406 7.020 3.796
171 HE2 LYS 17 HE2 LYS 17 21.560 6.665 2.553
172 HE3 LYS 17 HE1 LYS 17 20.641 6.580 0.992
173 HZ1 LYS 17 HZ1 LYS 17 21.665 8.802 2.093
174 HZ2 LYS 17 HZ2 LYS 17 20.050 8.895 2.611
175 HZ3 LYS 17 HZ3 LYS 17 20.404 8.761 0.956
Start of MODEL 10
1 H1 GLU 1 HT1 GLU 1 7.248 -7.815 -5.564
2 H2 GLU 1 HT2 GLU 1 7.283 -9.200 -4.580
3 H3 GLU 1 HT3 GLU 1 8.054 -7.776 -4.068
4 HA GLU 1 HA GLU 1 5.288 -8.547 -3.945
5 HB2 GLU 1 HB2 GLU 1 6.743 -8.172 -1.929
6 HB3 GLU 1 HB1 GLU 1 7.008 -6.475 -2.457
7 HG2 GLU 1 HG2 GLU 1 5.309 -6.506 -0.666
8 HG3 GLU 1 HG1 GLU 1 4.504 -6.045 -2.215
9 H MET 2 HN MET 2 7.231 -5.717 -5.036
10 HA MET 2 HA MET 2 4.757 -4.657 -6.201
11 HB2 MET 2 HB2 MET 2 6.526 -3.205 -4.229
12 HB3 MET 2 HB1 MET 2 6.092 -2.301 -5.738
13 HG2 MET 2 HG2 MET 2 3.830 -2.243 -5.251
14 HG3 MET 2 HG1 MET 2 3.864 -3.728 -4.239
15 HE1 MET 2 HE1 MET 2 3.938 -3.808 -1.763
16 HE2 MET 2 HE2 MET 2 5.063 -2.777 -0.815
17 HE3 MET 2 HE3 MET 2 5.684 -3.755 -2.189
18 H ARG 3 HN ARG 3 5.209 -2.879 -7.428
19 HA ARG 3 HA ARG 3 7.288 -3.445 -9.268
20 HB2 ARG 3 HB2 ARG 3 4.444 -2.682 -9.356
21 HB3 ARG 3 HB1 ARG 3 5.441 -1.638 -10.401
22 HG2 ARG 3 HG2 ARG 3 6.262 -3.386 -11.630
23 HG3 ARG 3 HG1 ARG 3 5.734 -4.621 -10.416
24 HD2 ARG 3 HD2 ARG 3 3.310 -3.944 -10.922
25 HD3 ARG 3 HD1 ARG 3 3.949 -2.937 -12.291
26 HE ARG 3 HE ARG 3 3.873 -5.916 -12.160
27 HH11 ARG 3 HH11 ARG 3 5.097 -2.956 -13.731
28 HH12 ARG 3 HH12 ARG 3 5.490 -3.732 -15.228
29 HH21 ARG 3 HH21 ARG 3 4.411 -6.964 -14.195
30 HH22 ARG 3 HH22 ARG 3 5.094 -6.047 -15.495
31 H ILE 4 HN ILE 4 6.824 -0.977 -10.445
32 HA ILE 4 HA ILE 4 8.686 0.567 -9.930
33 HB ILE 4 HB ILE 4 6.866 2.462 -10.195
34 HG12 ILE 4 HG12 ILE 4 4.842 1.597 -11.257
35 HG13 ILE 4 HG11 ILE 4 5.470 -0.081 -11.217
36 HG21 ILE 4 HG21 ILE 4 8.626 1.900 -11.847
37 HG22 ILE 4 HG22 ILE 4 7.030 1.982 -12.688
38 HG23 ILE 4 HG23 ILE 4 7.760 0.378 -12.291
39 HD11 ILE 4 HD11 ILE 4 5.013 1.522 -8.631
40 HD12 ILE 4 HD12 ILE 4 5.162 -0.275 -8.800
41 HD13 ILE 4 HD13 ILE 4 3.686 0.582 -9.405
42 H SER 5 HN SER 5 6.337 -0.010 -7.633
43 HA SER 5 HA SER 5 6.206 2.317 -6.228
44 HB2 SER 5 HB2 SER 5 6.194 -0.541 -5.382
45 HB3 SER 5 HB1 SER 5 5.702 0.818 -4.288
46 HG SER 5 HG SER 5 3.810 0.585 -5.123
47 H ARG 6 HN ARG 6 8.176 -0.401 -6.386
48 HA ARG 6 HA ARG 6 9.678 -0.029 -4.059
49 HB2 ARG 6 HB2 ARG 6 10.802 -1.968 -4.883
50 HB3 ARG 6 HB1 ARG 6 9.071 -2.128 -5.411
51 HG2 ARG 6 HG2 ARG 6 9.780 -0.822 -7.498
52 HG3 ARG 6 HG1 ARG 6 11.476 -1.306 -7.045
53 HD2 ARG 6 HD2 ARG 6 9.110 -3.225 -7.281
54 HD3 ARG 6 HD1 ARG 6 10.326 -2.926 -8.608
55 HE ARG 6 HE ARG 6 11.689 -3.557 -6.128
56 HH11 ARG 6 HH11 ARG 6 9.688 -5.006 -8.695
57 HH12 ARG 6 HH12 ARG 6 10.377 -6.589 -8.555
58 HH21 ARG 6 HH21 ARG 6 12.625 -5.715 -5.935
59 HH22 ARG 6 HH22 ARG 6 12.074 -6.999 -6.958
60 H ILE 7 HN ILE 7 9.438 1.187 -7.211
61 HA ILE 7 HA ILE 7 12.165 1.870 -7.290
62 HB ILE 7 HB ILE 7 9.925 2.042 -9.220
63 HG12 ILE 7 HG12 ILE 7 12.551 0.577 -9.531
64 HG13 ILE 7 HG11 ILE 7 11.399 0.015 -8.273
65 HG21 ILE 7 HG21 ILE 7 12.816 3.089 -9.449
66 HG22 ILE 7 HG22 ILE 7 11.287 4.036 -9.618
67 HG23 ILE 7 HG23 ILE 7 11.736 2.811 -10.868
68 HD11 ILE 7 HD11 ILE 7 9.869 -0.769 -9.778
69 HD12 ILE 7 HD12 ILE 7 11.331 -0.893 -10.850
70 HD13 ILE 7 HD13 ILE 7 10.216 0.526 -10.994
71 H ILE 8 HN ILE 8 9.188 3.058 -6.499
72 HA ILE 8 HA ILE 8 10.008 5.810 -6.760
73 HB ILE 8 HB ILE 8 8.003 4.694 -4.861
74 HG12 ILE 8 HG12 ILE 8 7.363 3.598 -6.751
75 HG13 ILE 8 HG11 ILE 8 6.297 5.043 -6.781
76 HG21 ILE 8 HG21 ILE 8 7.259 6.902 -4.651
77 HG22 ILE 8 HG22 ILE 8 7.480 7.255 -6.407
78 HG23 ILE 8 HG23 ILE 8 8.900 7.293 -5.292
79 HD11 ILE 8 HD11 ILE 8 8.836 4.506 -8.436
80 HD12 ILE 8 HD12 ILE 8 7.998 6.110 -8.394
81 HD13 ILE 8 HD13 ILE 8 7.142 4.653 -9.038
82 H LEU 9 HN LEU 9 9.678 3.302 -4.637
83 HA LEU 9 HA LEU 9 10.490 4.391 -2.312
84 HB2 LEU 9 HB2 LEU 9 10.184 1.945 -3.726
85 HB3 LEU 9 HB1 LEU 9 11.462 1.859 -2.469
86 HG LEU 9 HG LEU 9 8.723 2.933 -1.741
87 HD11 LEU 9 HD11 LEU 9 9.452 -0.032 -2.163
88 HD12 LEU 9 HD12 LEU 9 8.126 0.894 -2.951
89 HD13 LEU 9 HD13 LEU 9 8.036 0.522 -1.190
90 HD21 LEU 9 HD21 LEU 9 10.160 1.016 0.033
91 HD22 LEU 9 HD22 LEU 9 9.526 2.671 0.381
92 HD23 LEU 9 HD23 LEU 9 11.145 2.467 -0.417
93 H ASP 10 HN ASP 10 12.131 3.287 -5.064
94 HA ASP 10 HA ASP 10 14.517 3.326 -3.601
95 HB2 ASP 10 HB2 ASP 10 13.497 3.084 -6.323
96 HB3 ASP 10 HB1 ASP 10 15.155 3.780 -6.249
97 H PHE 11 HN PHE 11 12.439 5.531 -5.307
98 HA PHE 11 HA PHE 11 14.485 7.535 -5.419
99 HB2 PHE 11 HB2 PHE 11 11.551 7.485 -6.057
100 HB3 PHE 11 HB1 PHE 11 12.670 8.866 -6.500
101 HD1 PHE 11 HD1 PHE 11 11.236 7.521 -8.618
102 HD2 PHE 11 HD2 PHE 11 14.819 6.394 -6.672
103 HE1 PHE 11 HE1 PHE 11 11.834 6.026 -10.413
104 HE2 PHE 11 HE2 PHE 11 15.347 4.952 -8.263
105 HZ PHE 11 HZ PHE 11 13.938 4.717 -10.336
106 H LEU 12 HN LEU 12 12.611 6.198 -3.279
107 HA LEU 12 HA LEU 12 11.970 8.592 -2.004
108 HB2 LEU 12 HB2 LEU 12 11.524 5.720 -1.653
109 HB3 LEU 12 HB1 LEU 12 11.100 6.872 -0.317
110 HG LEU 12 HG LEU 12 10.248 7.061 -3.154
111 HD11 LEU 12 HD11 LEU 12 9.401 5.258 -1.109
112 HD12 LEU 12 HD12 LEU 12 8.798 5.413 -2.797
113 HD13 LEU 12 HD13 LEU 12 8.022 6.374 -1.469
114 HD21 LEU 12 HD21 LEU 12 9.985 8.789 -0.796
115 HD22 LEU 12 HD22 LEU 12 8.400 8.474 -1.613
116 HD23 LEU 12 HD23 LEU 12 9.786 9.168 -2.548
117 H PHE 13 HN PHE 13 13.909 5.737 -1.814
118 HA PHE 13 HA PHE 13 15.318 6.985 0.454
119 HB2 PHE 13 HB2 PHE 13 14.639 4.064 0.152
120 HB3 PHE 13 HB1 PHE 13 15.324 4.862 1.641
121 HD1 PHE 13 HD1 PHE 13 12.748 4.007 -0.405
122 HD2 PHE 13 HD2 PHE 13 13.684 6.382 2.897
123 HE1 PHE 13 HE1 PHE 13 10.579 4.299 -0.130
124 HE2 PHE 13 HE2 PHE 13 11.296 6.662 3.327
125 HZ PHE 13 HZ PHE 13 9.640 5.588 1.823
126 H DLE 14 HN DLE 14 15.232 4.938 -2.426
127 HA DLE 14 HA DLE 14 18.087 4.720 -2.118
128 HB2 DLE 14 HB2 DLE 14 18.307 3.979 -4.424
129 HB3 DLE 14 HB1 DLE 14 16.524 4.245 -4.622
130 HG DLE 14 HG DLE 14 16.939 6.516 -3.696
131 HD11 DLE 14 HD11 DLE 14 19.036 7.239 -3.228
132 HD12 DLE 14 HD12 DLE 14 19.758 6.447 -4.685
133 HD13 DLE 14 HD13 DLE 14 19.409 5.468 -3.188
134 HD21 DLE 14 HD21 DLE 14 18.270 6.550 -6.351
135 HD22 DLE 14 HD22 DLE 14 16.686 7.246 -5.806
136 HD23 DLE 14 HD23 DLE 14 16.799 5.499 -6.246
137 H ARG 15 HN ARG 15 15.689 3.409 -1.134
138 HA ARG 15 HA ARG 15 15.468 1.454 -0.324
139 HB2 ARG 15 HB2 ARG 15 15.844 0.872 -3.264
140 HB3 ARG 15 HB1 ARG 15 15.291 -0.410 -2.107
141 HG2 ARG 15 HG2 ARG 15 13.947 2.304 -1.954
142 HG3 ARG 15 HG1 ARG 15 13.548 1.255 -3.377
143 HD2 ARG 15 HD2 ARG 15 13.632 0.004 -0.586
144 HD3 ARG 15 HD1 ARG 15 12.182 0.976 -1.075
145 HE ARG 15 HE ARG 15 12.689 -0.707 -3.256
146 HH11 ARG 15 HH11 ARG 15 12.058 -1.059 0.234
147 HH12 ARG 15 HH12 ARG 15 11.294 -2.608 0.104
148 HH21 ARG 15 HH21 ARG 15 11.651 -2.829 -3.433
149 HH22 ARG 15 HH22 ARG 15 11.059 -3.630 -2.017
150 H LYS 16 HN LYS 16 17.831 2.668 -0.371
151 HA LYS 16 HA LYS 16 19.895 0.653 -0.539
152 HB2 LYS 16 HB2 LYS 16 21.458 2.621 -0.401
153 HB3 LYS 16 HB1 LYS 16 20.342 2.706 -1.823
154 HG2 LYS 16 HG2 LYS 16 18.839 4.187 -0.618
155 HG3 LYS 16 HG1 LYS 16 19.829 4.093 0.867
156 HD2 LYS 16 HD2 LYS 16 21.651 5.305 -0.165
157 HD3 LYS 16 HD1 LYS 16 20.947 5.116 -1.809
158 HE2 LYS 16 HE2 LYS 16 19.037 6.603 -1.213
159 HE3 LYS 16 HE1 LYS 16 19.650 6.739 0.489
160 HZ1 LYS 16 HZ1 LYS 16 21.510 7.916 -0.228
161 HZ2 LYS 16 HZ2 LYS 16 20.224 8.569 -1.124
162 HZ3 LYS 16 HZ3 LYS 16 21.307 7.487 -1.858
163 H LYS 17 HN LYS 17 17.846 2.522 1.467
164 HA LYS 17 HA LYS 17 19.227 1.483 3.753
165 HB2 LYS 17 HB2 LYS 17 18.459 4.430 3.421
166 HB3 LYS 17 HB1 LYS 17 19.000 3.686 4.971
167 HG2 LYS 17 HG2 LYS 17 20.695 3.639 2.405
168 HG3 LYS 17 HG1 LYS 17 20.796 4.964 3.624
169 HD2 LYS 17 HD2 LYS 17 21.370 3.227 5.383
170 HD3 LYS 17 HD1 LYS 17 21.348 1.965 4.104
171 HE2 LYS 17 HE2 LYS 17 23.212 3.144 2.898
172 HE3 LYS 17 HE1 LYS 17 23.232 4.420 4.188
173 HZ1 LYS 17 HZ1 LYS 17 23.351 1.991 5.488
174 HZ2 LYS 17 HZ2 LYS 17 24.598 3.121 5.268
175 HZ3 LYS 17 HZ3 LYS 17 24.406 1.844 4.166
Start of MODEL 11
1 H1 GLU 1 HT1 GLU 1 7.466 -7.479 -2.391
2 H2 GLU 1 HT2 GLU 1 5.885 -7.767 -1.841
3 H3 GLU 1 HT3 GLU 1 6.298 -6.248 -2.478
4 HA GLU 1 HA GLU 1 6.966 -8.071 -4.414
5 HB2 GLU 1 HB2 GLU 1 4.226 -8.584 -3.127
6 HB3 GLU 1 HB1 GLU 1 4.620 -9.095 -4.808
7 HG2 GLU 1 HG2 GLU 1 6.428 -10.583 -4.001
8 HG3 GLU 1 HG1 GLU 1 6.202 -9.995 -2.306
9 H MET 2 HN MET 2 7.219 -5.558 -4.767
10 HA MET 2 HA MET 2 4.759 -4.688 -6.145
11 HB2 MET 2 HB2 MET 2 6.425 -3.149 -4.162
12 HB3 MET 2 HB1 MET 2 6.057 -2.288 -5.710
13 HG2 MET 2 HG2 MET 2 4.297 -1.670 -4.271
14 HG3 MET 2 HG1 MET 2 3.592 -2.929 -5.330
15 HE1 MET 2 HE1 MET 2 5.832 -2.883 -1.923
16 HE2 MET 2 HE2 MET 2 4.416 -2.897 -0.815
17 HE3 MET 2 HE3 MET 2 4.574 -1.605 -2.055
18 H ARG 3 HN ARG 3 5.208 -2.902 -7.395
19 HA ARG 3 HA ARG 3 7.312 -3.477 -9.201
20 HB2 ARG 3 HB2 ARG 3 4.467 -2.730 -9.317
21 HB3 ARG 3 HB1 ARG 3 5.464 -1.689 -10.364
22 HG2 ARG 3 HG2 ARG 3 6.335 -3.461 -11.547
23 HG3 ARG 3 HG1 ARG 3 5.734 -4.679 -10.346
24 HD2 ARG 3 HD2 ARG 3 3.388 -4.198 -10.981
25 HD3 ARG 3 HD1 ARG 3 3.939 -2.872 -12.096
26 HE ARG 3 HE ARG 3 5.305 -5.232 -12.906
27 HH11 ARG 3 HH11 ARG 3 1.972 -4.022 -12.571
28 HH12 ARG 3 HH12 ARG 3 1.333 -4.967 -13.874
29 HH21 ARG 3 HH21 ARG 3 4.437 -6.518 -14.679
30 HH22 ARG 3 HH22 ARG 3 2.760 -6.411 -15.093
31 H ILE 4 HN ILE 4 6.847 -1.025 -10.411
32 HA ILE 4 HA ILE 4 8.702 0.529 -9.905
33 HB ILE 4 HB ILE 4 6.879 2.418 -10.203
34 HG12 ILE 4 HG12 ILE 4 4.863 1.534 -11.266
35 HG13 ILE 4 HG11 ILE 4 5.496 -0.141 -11.203
36 HG21 ILE 4 HG21 ILE 4 7.795 0.311 -12.266
37 HG22 ILE 4 HG22 ILE 4 8.648 1.846 -11.839
38 HG23 ILE 4 HG23 ILE 4 7.057 1.905 -12.690
39 HD11 ILE 4 HD11 ILE 4 5.028 1.490 -8.637
40 HD12 ILE 4 HD12 ILE 4 5.173 -0.308 -8.789
41 HD13 ILE 4 HD13 ILE 4 3.700 0.547 -9.407
42 H SER 5 HN SER 5 6.350 -0.026 -7.609
43 HA SER 5 HA SER 5 6.208 2.318 -6.233
44 HB2 SER 5 HB2 SER 5 6.214 -0.529 -5.347
45 HB3 SER 5 HB1 SER 5 5.716 0.842 -4.270
46 HG SER 5 HG SER 5 3.933 1.142 -5.456
47 H ARG 6 HN ARG 6 8.194 -0.392 -6.360
48 HA ARG 6 HA ARG 6 9.699 0.012 -4.038
49 HB2 ARG 6 HB2 ARG 6 10.830 -1.931 -4.846
50 HB3 ARG 6 HB1 ARG 6 9.097 -2.104 -5.363
51 HG2 ARG 6 HG2 ARG 6 9.793 -0.819 -7.468
52 HG3 ARG 6 HG1 ARG 6 11.491 -1.295 -7.019
53 HD2 ARG 6 HD2 ARG 6 9.127 -3.220 -7.227
54 HD3 ARG 6 HD1 ARG 6 10.342 -2.934 -8.558
55 HE ARG 6 HE ARG 6 11.705 -3.538 -6.069
56 HH11 ARG 6 HH11 ARG 6 9.709 -5.014 -8.625
57 HH12 ARG 6 HH12 ARG 6 10.399 -6.595 -8.468
58 HH21 ARG 6 HH21 ARG 6 12.643 -5.694 -5.854
59 HH22 ARG 6 HH22 ARG 6 12.094 -6.988 -6.864
60 H ILE 7 HN ILE 7 9.447 1.193 -7.201
61 HA ILE 7 HA ILE 7 12.169 1.890 -7.297
62 HB ILE 7 HB ILE 7 9.926 2.022 -9.225
63 HG12 ILE 7 HG12 ILE 7 12.560 0.570 -9.517
64 HG13 ILE 7 HG11 ILE 7 11.411 0.017 -8.255
65 HG21 ILE 7 HG21 ILE 7 12.812 3.077 -9.479
66 HG22 ILE 7 HG22 ILE 7 11.282 4.022 -9.644
67 HG23 ILE 7 HG23 ILE 7 11.720 2.787 -10.886
68 HD11 ILE 7 HD11 ILE 7 11.350 -0.923 -10.821
69 HD12 ILE 7 HD12 ILE 7 10.228 0.489 -10.981
70 HD13 ILE 7 HD13 ILE 7 9.891 -0.799 -9.750
71 H ILE 8 HN ILE 8 9.189 3.070 -6.509
72 HA ILE 8 HA ILE 8 10.000 5.822 -6.807
73 HB ILE 8 HB ILE 8 7.993 4.727 -4.898
74 HG12 ILE 8 HG12 ILE 8 7.360 3.601 -6.773
75 HG13 ILE 8 HG11 ILE 8 6.288 5.042 -6.825
76 HG21 ILE 8 HG21 ILE 8 7.236 6.935 -4.728
77 HG22 ILE 8 HG22 ILE 8 7.473 7.265 -6.486
78 HG23 ILE 8 HG23 ILE 8 8.882 7.321 -5.358
79 HD11 ILE 8 HD11 ILE 8 7.136 4.627 -9.076
80 HD12 ILE 8 HD12 ILE 8 8.832 4.487 -8.470
81 HD13 ILE 8 HD13 ILE 8 7.991 6.091 -8.451
82 H LEU 9 HN LEU 9 9.670 3.341 -4.654
83 HA LEU 9 HA LEU 9 10.474 4.456 -2.339
84 HB2 LEU 9 HB2 LEU 9 10.181 1.992 -3.730
85 HB3 LEU 9 HB1 LEU 9 11.442 1.925 -2.457
86 HG LEU 9 HG LEU 9 8.685 2.995 -1.788
87 HD11 LEU 9 HD11 LEU 9 8.035 0.579 -1.180
88 HD12 LEU 9 HD12 LEU 9 9.459 0.036 -2.149
89 HD13 LEU 9 HD13 LEU 9 8.116 0.926 -2.948
90 HD21 LEU 9 HD21 LEU 9 9.468 2.806 0.347
91 HD22 LEU 9 HD22 LEU 9 11.097 2.577 -0.420
92 HD23 LEU 9 HD23 LEU 9 10.104 1.139 0.057
93 H ASP 10 HN ASP 10 12.113 3.320 -5.074
94 HA ASP 10 HA ASP 10 14.503 3.355 -3.621
95 HB2 ASP 10 HB2 ASP 10 13.468 3.148 -6.350
96 HB3 ASP 10 HB1 ASP 10 15.144 3.793 -6.262
97 H PHE 11 HN PHE 11 12.431 5.558 -5.346
98 HA PHE 11 HA PHE 11 14.485 7.555 -5.472
99 HB2 PHE 11 HB2 PHE 11 11.552 7.508 -6.120
100 HB3 PHE 11 HB1 PHE 11 12.678 8.881 -6.571
101 HD1 PHE 11 HD1 PHE 11 11.247 7.521 -8.682
102 HD2 PHE 11 HD2 PHE 11 14.817 6.399 -6.712
103 HE1 PHE 11 HE1 PHE 11 11.846 6.006 -10.460
104 HE2 PHE 11 HE2 PHE 11 15.346 4.938 -8.286
105 HZ PHE 11 HZ PHE 11 13.944 4.689 -10.362
106 H LEU 12 HN LEU 12 12.596 6.248 -3.326
107 HA LEU 12 HA LEU 12 11.963 8.659 -2.078
108 HB2 LEU 12 HB2 LEU 12 11.510 5.791 -1.695
109 HB3 LEU 12 HB1 LEU 12 11.085 6.961 -0.374
110 HG LEU 12 HG LEU 12 10.241 7.120 -3.215
111 HD11 LEU 12 HD11 LEU 12 9.381 5.342 -1.151
112 HD12 LEU 12 HD12 LEU 12 8.786 5.480 -2.844
113 HD13 LEU 12 HD13 LEU 12 8.008 6.458 -1.531
114 HD21 LEU 12 HD21 LEU 12 8.392 8.556 -1.699
115 HD22 LEU 12 HD22 LEU 12 9.787 9.236 -2.630
116 HD23 LEU 12 HD23 LEU 12 9.970 8.869 -0.871
117 H PHE 13 HN PHE 13 13.897 5.804 -1.853
118 HA PHE 13 HA PHE 13 15.305 7.076 0.403
119 HB2 PHE 13 HB2 PHE 13 14.614 4.153 0.128
120 HB3 PHE 13 HB1 PHE 13 15.305 4.960 1.609
121 HD1 PHE 13 HD1 PHE 13 12.724 4.101 -0.424
122 HD2 PHE 13 HD2 PHE 13 13.675 6.497 2.858
123 HE1 PHE 13 HE1 PHE 13 10.558 4.405 -0.150
124 HE2 PHE 13 HE2 PHE 13 11.289 6.792 3.289
125 HZ PHE 13 HZ PHE 13 9.627 5.713 1.795
126 H DLE 14 HN DLE 14 15.218 4.975 -2.438
127 HA DLE 14 HA DLE 14 18.075 4.763 -2.130
128 HB2 DLE 14 HB2 DLE 14 18.282 3.976 -4.427
129 HB3 DLE 14 HB1 DLE 14 16.501 4.248 -4.622
130 HG DLE 14 HG DLE 14 16.943 6.536 -3.741
131 HD11 DLE 14 HD11 DLE 14 19.748 6.392 -4.773
132 HD12 DLE 14 HD12 DLE 14 19.402 5.484 -3.233
133 HD13 DLE 14 HD13 DLE 14 19.057 7.262 -3.345
134 HD21 DLE 14 HD21 DLE 14 18.236 6.474 -6.421
135 HD22 DLE 14 HD22 DLE 14 16.688 7.237 -5.866
136 HD23 DLE 14 HD23 DLE 14 16.734 5.477 -6.259
137 H ARG 15 HN ARG 15 15.663 3.469 -1.134
138 HA ARG 15 HA ARG 15 15.457 1.526 -0.281
139 HB2 ARG 15 HB2 ARG 15 15.812 0.891 -3.212
140 HB3 ARG 15 HB1 ARG 15 15.243 -0.358 -2.030
141 HG2 ARG 15 HG2 ARG 15 13.935 2.378 -1.943
142 HG3 ARG 15 HG1 ARG 15 13.523 1.297 -3.339
143 HD2 ARG 15 HD2 ARG 15 13.593 0.107 -0.523
144 HD3 ARG 15 HD1 ARG 15 12.163 1.104 -1.018
145 HE ARG 15 HE ARG 15 12.610 -0.631 -3.172
146 HH11 ARG 15 HH11 ARG 15 11.997 -0.899 0.329
147 HH12 ARG 15 HH12 ARG 15 11.192 -2.430 0.235
148 HH21 ARG 15 HH21 ARG 15 11.515 -2.728 -3.299
149 HH22 ARG 15 HH22 ARG 15 10.913 -3.486 -1.863
150 H LYS 16 HN LYS 16 17.811 2.734 -0.352
151 HA LYS 16 HA LYS 16 19.878 0.722 -0.533
152 HB2 LYS 16 HB2 LYS 16 21.453 2.658 -0.500
153 HB3 LYS 16 HB1 LYS 16 20.266 2.777 -1.858
154 HG2 LYS 16 HG2 LYS 16 18.849 4.274 -0.544
155 HG3 LYS 16 HG1 LYS 16 19.954 4.160 0.868
156 HD2 LYS 16 HD2 LYS 16 21.665 5.411 -0.227
157 HD3 LYS 16 HD1 LYS 16 20.977 5.114 -1.862
158 HE2 LYS 16 HE2 LYS 16 19.027 6.599 -1.349
159 HE3 LYS 16 HE1 LYS 16 19.657 6.859 0.331
160 HZ1 LYS 16 HZ1 LYS 16 20.188 8.589 -1.388
161 HZ2 LYS 16 HZ2 LYS 16 21.263 7.477 -2.087
162 HZ3 LYS 16 HZ3 LYS 16 21.501 7.999 -0.489
163 H LYS 17 HN LYS 17 17.652 1.733 1.566
164 HA LYS 17 HA LYS 17 19.589 1.774 3.730
165 HB2 LYS 17 HB2 LYS 17 16.895 3.213 3.576
166 HB3 LYS 17 HB1 LYS 17 17.986 3.207 5.011
167 HG2 LYS 17 HG2 LYS 17 19.779 4.287 3.627
168 HG3 LYS 17 HG1 LYS 17 18.657 4.313 2.221
169 HD2 LYS 17 HD2 LYS 17 17.068 5.760 3.517
170 HD3 LYS 17 HD1 LYS 17 18.183 5.730 4.926
171 HE2 LYS 17 HE2 LYS 17 19.952 6.878 3.557
172 HE3 LYS 17 HE1 LYS 17 18.824 6.905 2.139
173 HZ1 LYS 17 HZ1 LYS 17 19.032 8.744 4.178
174 HZ2 LYS 17 HZ2 LYS 17 17.562 7.940 4.453
175 HZ3 LYS 17 HZ3 LYS 17 17.859 8.674 2.952
Start of MODEL 12
1 H1 GLU 1 HT1 GLU 1 6.009 -8.614 -9.271
2 H2 GLU 1 HT2 GLU 1 5.774 -8.175 -7.646
3 H3 GLU 1 HT3 GLU 1 6.096 -9.793 -8.052
4 HA GLU 1 HA GLU 1 8.190 -9.391 -7.634
5 HB2 GLU 1 HB2 GLU 1 8.166 -9.272 -10.156
6 HB3 GLU 1 HB1 GLU 1 7.958 -7.489 -10.039
7 HG2 GLU 1 HG2 GLU 1 10.186 -7.278 -8.906
8 HG3 GLU 1 HG1 GLU 1 10.397 -9.073 -8.973
9 H MET 2 HN MET 2 6.601 -6.215 -8.406
10 HA MET 2 HA MET 2 7.630 -5.169 -5.921
11 HB2 MET 2 HB2 MET 2 8.157 -2.860 -7.305
12 HB3 MET 2 HB1 MET 2 9.477 -4.097 -6.984
13 HG2 MET 2 HG2 MET 2 8.335 -5.100 -9.356
14 HG3 MET 2 HG1 MET 2 8.190 -3.333 -9.563
15 HE1 MET 2 HE1 MET 2 9.777 -3.281 -11.695
16 HE2 MET 2 HE2 MET 2 9.515 -5.047 -11.483
17 HE3 MET 2 HE3 MET 2 11.165 -4.418 -11.815
18 H ARG 3 HN ARG 3 7.013 -3.350 -5.364
19 HA ARG 3 HA ARG 3 4.660 -2.573 -6.662
20 HB2 ARG 3 HB2 ARG 3 5.458 -2.667 -3.861
21 HB3 ARG 3 HB1 ARG 3 4.663 -1.104 -4.384
22 HG2 ARG 3 HG2 ARG 3 2.799 -2.506 -3.984
23 HG3 ARG 3 HG1 ARG 3 3.113 -2.588 -5.773
24 HD2 ARG 3 HD2 ARG 3 4.000 -4.772 -5.673
25 HD3 ARG 3 HD1 ARG 3 4.290 -4.707 -3.872
26 HE ARG 3 HE ARG 3 1.481 -4.358 -4.317
27 HH11 ARG 3 HH11 ARG 3 4.058 -6.773 -4.774
28 HH12 ARG 3 HH12 ARG 3 3.019 -8.145 -4.588
29 HH21 ARG 3 HH21 ARG 3 0.066 -6.225 -4.063
30 HH22 ARG 3 HH22 ARG 3 0.709 -7.828 -4.177
31 H ILE 4 HN ILE 4 4.749 -1.157 -7.872
32 HA ILE 4 HA ILE 4 6.958 -0.073 -8.766
33 HB ILE 4 HB ILE 4 4.448 1.395 -8.923
34 HG12 ILE 4 HG12 ILE 4 3.536 -0.799 -9.030
35 HG13 ILE 4 HG11 ILE 4 3.844 -0.411 -10.769
36 HG21 ILE 4 HG21 ILE 4 6.327 2.313 -10.135
37 HG22 ILE 4 HG22 ILE 4 5.221 1.563 -11.353
38 HG23 ILE 4 HG23 ILE 4 6.730 0.705 -10.856
39 HD11 ILE 4 HD11 ILE 4 6.304 -1.612 -9.786
40 HD12 ILE 4 HD12 ILE 4 5.078 -2.359 -10.893
41 HD13 ILE 4 HD13 ILE 4 4.948 -2.600 -9.099
42 H SER 5 HN SER 5 5.597 0.502 -5.994
43 HA SER 5 HA SER 5 5.962 3.205 -5.837
44 HB2 SER 5 HB2 SER 5 5.221 1.069 -3.900
45 HB3 SER 5 HB1 SER 5 5.273 2.829 -3.430
46 HG SER 5 HG SER 5 3.514 3.219 -4.600
47 H ARG 6 HN ARG 6 7.176 0.288 -4.869
48 HA ARG 6 HA ARG 6 8.828 1.242 -2.809
49 HB2 ARG 6 HB2 ARG 6 9.176 -1.013 -2.486
50 HB3 ARG 6 HB1 ARG 6 7.646 -1.060 -3.477
51 HG2 ARG 6 HG2 ARG 6 9.015 -1.091 -5.504
52 HG3 ARG 6 HG1 ARG 6 10.488 -1.379 -4.495
53 HD2 ARG 6 HD2 ARG 6 7.931 -3.001 -4.161
54 HD3 ARG 6 HD1 ARG 6 9.243 -3.492 -5.321
55 HE ARG 6 HE ARG 6 10.349 -2.913 -2.698
56 HH11 ARG 6 HH11 ARG 6 8.530 -5.339 -4.573
57 HH12 ARG 6 HH12 ARG 6 9.047 -6.687 -3.619
58 HH21 ARG 6 HH21 ARG 6 11.055 -4.756 -1.407
59 HH22 ARG 6 HH22 ARG 6 10.501 -6.350 -1.791
60 H ILE 7 HN ILE 7 8.663 1.198 -6.126
61 HA ILE 7 HA ILE 7 11.418 1.023 -6.577
62 HB ILE 7 HB ILE 7 9.013 1.481 -8.244
63 HG12 ILE 7 HG12 ILE 7 10.927 -0.857 -8.187
64 HG13 ILE 7 HG11 ILE 7 9.573 -0.669 -7.016
65 HG21 ILE 7 HG21 ILE 7 10.643 1.073 -10.207
66 HG22 ILE 7 HG22 ILE 7 11.985 1.345 -9.033
67 HG23 ILE 7 HG23 ILE 7 10.806 2.669 -9.381
68 HD11 ILE 7 HD11 ILE 7 9.424 -1.650 -9.738
69 HD12 ILE 7 HD12 ILE 7 8.534 -0.076 -9.646
70 HD13 ILE 7 HD13 ILE 7 8.095 -1.422 -8.529
71 H ILE 8 HN ILE 8 8.944 3.228 -6.123
72 HA ILE 8 HA ILE 8 10.422 5.413 -7.277
73 HB ILE 8 HB ILE 8 8.353 5.520 -5.134
74 HG12 ILE 8 HG12 ILE 8 7.381 4.011 -6.556
75 HG13 ILE 8 HG11 ILE 8 6.629 5.572 -7.050
76 HG21 ILE 8 HG21 ILE 8 8.139 7.782 -5.734
77 HG22 ILE 8 HG22 ILE 8 8.379 7.449 -7.492
78 HG23 ILE 8 HG23 ILE 8 9.804 7.521 -6.383
79 HD11 ILE 8 HD11 ILE 8 7.164 4.380 -9.076
80 HD12 ILE 8 HD12 ILE 8 8.793 3.910 -8.449
81 HD13 ILE 8 HD13 ILE 8 8.465 5.632 -8.913
82 H LEU 9 HN LEU 9 9.620 3.933 -4.417
83 HA LEU 9 HA LEU 9 10.899 5.462 -2.617
84 HB2 LEU 9 HB2 LEU 9 9.825 2.882 -3.077
85 HB3 LEU 9 HB1 LEU 9 11.171 2.858 -1.886
86 HG LEU 9 HG LEU 9 9.062 4.929 -1.426
87 HD11 LEU 9 HD11 LEU 9 8.471 1.922 -1.076
88 HD12 LEU 9 HD12 LEU 9 7.653 3.043 -2.222
89 HD13 LEU 9 HD13 LEU 9 7.452 3.272 -0.444
90 HD21 LEU 9 HD21 LEU 9 9.826 4.721 0.735
91 HD22 LEU 9 HD22 LEU 9 11.218 3.874 -0.060
92 HD23 LEU 9 HD23 LEU 9 9.861 2.915 0.660
93 H ASP 10 HN ASP 10 11.921 3.086 -4.790
94 HA ASP 10 HA ASP 10 14.334 2.819 -3.428
95 HB2 ASP 10 HB2 ASP 10 12.997 2.145 -5.944
96 HB3 ASP 10 HB1 ASP 10 14.774 2.267 -6.125
97 H PHE 11 HN PHE 11 12.853 4.929 -5.759
98 HA PHE 11 HA PHE 11 15.366 6.114 -6.488
99 HB2 PHE 11 HB2 PHE 11 12.493 6.681 -7.168
100 HB3 PHE 11 HB1 PHE 11 13.918 7.447 -8.026
101 HD1 PHE 11 HD1 PHE 11 11.982 5.941 -9.572
102 HD2 PHE 11 HD2 PHE 11 15.265 4.585 -7.312
103 HE1 PHE 11 HE1 PHE 11 11.995 3.822 -10.724
104 HE2 PHE 11 HE2 PHE 11 15.259 2.593 -8.281
105 HZ PHE 11 HZ PHE 11 13.665 2.075 -10.163
106 H LEU 12 HN LEU 12 13.300 6.181 -4.103
107 HA LEU 12 HA LEU 12 13.373 8.944 -3.799
108 HB2 LEU 12 HB2 LEU 12 12.257 6.597 -2.464
109 HB3 LEU 12 HB1 LEU 12 12.211 8.202 -1.620
110 HG LEU 12 HG LEU 12 11.238 7.598 -4.362
111 HD11 LEU 12 HD11 LEU 12 10.103 6.934 -1.829
112 HD12 LEU 12 HD12 LEU 12 9.441 6.633 -3.474
113 HD13 LEU 12 HD13 LEU 12 9.036 8.171 -2.604
114 HD21 LEU 12 HD21 LEU 12 9.912 9.891 -3.545
115 HD22 LEU 12 HD22 LEU 12 11.405 9.827 -4.568
116 HD23 LEU 12 HD23 LEU 12 11.544 10.068 -2.783
117 H PHE 13 HN PHE 13 14.529 5.995 -2.501
118 HA PHE 13 HA PHE 13 16.248 7.564 -0.705
119 HB2 PHE 13 HB2 PHE 13 14.931 4.920 -0.134
120 HB3 PHE 13 HB1 PHE 13 15.770 5.988 1.084
121 HD1 PHE 13 HD1 PHE 13 13.032 5.029 -0.664
122 HD2 PHE 13 HD2 PHE 13 14.543 8.216 1.576
123 HE1 PHE 13 HE1 PHE 13 10.969 5.862 -0.633
124 HE2 PHE 13 HE2 PHE 13 12.286 9.129 1.739
125 HZ PHE 13 HZ PHE 13 10.397 7.949 0.650
126 H DLE 14 HN DLE 14 15.649 4.777 -2.741
127 HA DLE 14 HA DLE 14 18.295 4.012 -2.045
128 HB2 DLE 14 HB2 DLE 14 17.724 4.742 -4.570
129 HB3 DLE 14 HB1 DLE 14 19.068 3.647 -4.088
130 HG DLE 14 HG DLE 14 16.368 2.444 -4.516
131 HD11 DLE 14 HD11 DLE 14 18.118 3.282 -6.878
132 HD12 DLE 14 HD12 DLE 14 16.728 4.265 -6.260
133 HD13 DLE 14 HD13 DLE 14 16.455 2.594 -6.891
134 HD21 DLE 14 HD21 DLE 14 18.984 1.511 -4.109
135 HD22 DLE 14 HD22 DLE 14 18.691 1.232 -5.876
136 HD23 DLE 14 HD23 DLE 14 17.556 0.551 -4.639
137 H ARG 15 HN ARG 15 15.521 3.577 -1.163
138 HA ARG 15 HA ARG 15 14.838 1.977 0.214
139 HB2 ARG 15 HB2 ARG 15 15.059 0.602 -2.455
140 HB3 ARG 15 HB1 ARG 15 14.357 -0.249 -1.027
141 HG2 ARG 15 HG2 ARG 15 13.448 2.583 -1.611
142 HG3 ARG 15 HG1 ARG 15 12.820 1.250 -2.667
143 HD2 ARG 15 HD2 ARG 15 12.815 1.009 0.401
144 HD3 ARG 15 HD1 ARG 15 11.454 1.823 -0.486
145 HE ARG 15 HE ARG 15 11.902 -0.601 -1.840
146 HH11 ARG 15 HH11 ARG 15 11.073 0.493 1.449
147 HH12 ARG 15 HH12 ARG 15 10.140 -0.907 1.856
148 HH21 ARG 15 HH21 ARG 15 10.624 -2.521 -1.280
149 HH22 ARG 15 HH22 ARG 15 9.881 -2.649 0.278
150 H LYS 16 HN LYS 16 17.394 2.605 0.043
151 HA LYS 16 HA LYS 16 18.885 0.193 0.709
152 HB2 LYS 16 HB2 LYS 16 20.906 1.374 0.007
153 HB3 LYS 16 HB1 LYS 16 19.683 1.583 -1.304
154 HG2 LYS 16 HG2 LYS 16 19.040 3.807 -0.280
155 HG3 LYS 16 HG1 LYS 16 20.396 3.623 0.884
156 HD2 LYS 16 HD2 LYS 16 22.017 4.038 -0.724
157 HD3 LYS 16 HD1 LYS 16 21.072 3.270 -2.045
158 HE2 LYS 16 HE2 LYS 16 19.647 5.263 -2.301
159 HE3 LYS 16 HE1 LYS 16 20.333 6.009 -0.800
160 HZ1 LYS 16 HZ1 LYS 16 22.209 5.237 -2.911
161 HZ2 LYS 16 HZ2 LYS 16 22.224 6.563 -1.851
162 HZ3 LYS 16 HZ3 LYS 16 21.198 6.570 -3.204
163 H LYS 17 HN LYS 17 17.032 2.474 2.058
164 HA LYS 17 HA LYS 17 18.855 2.671 4.302
165 HB2 LYS 17 HB2 LYS 17 17.079 4.914 3.210
166 HB3 LYS 17 HB1 LYS 17 17.988 4.992 4.766
167 HG2 LYS 17 HG2 LYS 17 20.135 4.676 3.513
168 HG3 LYS 17 HG1 LYS 17 19.213 4.622 1.972
169 HD2 LYS 17 HD2 LYS 17 18.387 6.951 2.380
170 HD3 LYS 17 HD1 LYS 17 19.289 7.006 3.933
171 HE2 LYS 17 HE2 LYS 17 21.458 6.746 2.692
172 HE3 LYS 17 HE1 LYS 17 20.548 6.681 1.125
173 HZ1 LYS 17 HZ1 LYS 17 20.232 8.855 1.156
174 HZ2 LYS 17 HZ2 LYS 17 21.509 8.896 2.275
175 HZ3 LYS 17 HZ3 LYS 17 19.902 8.932 2.820
Start of MODEL 13
1 H1 GLU 1 HT1 GLU 1 6.866 -9.200 -10.170
2 H2 GLU 1 HT2 GLU 1 7.069 -7.555 -9.805
3 H3 GLU 1 HT3 GLU 1 5.557 -8.297 -9.575
4 HA GLU 1 HA GLU 1 6.134 -9.292 -7.680
5 HB2 GLU 1 HB2 GLU 1 8.464 -10.008 -7.107
6 HB3 GLU 1 HB1 GLU 1 7.941 -10.657 -8.700
7 HG2 GLU 1 HG2 GLU 1 9.192 -8.781 -9.861
8 HG3 GLU 1 HG1 GLU 1 9.767 -8.197 -8.248
9 H MET 2 HN MET 2 6.099 -6.347 -8.482
10 HA MET 2 HA MET 2 7.154 -5.384 -5.951
11 HB2 MET 2 HB2 MET 2 7.889 -3.138 -7.276
12 HB3 MET 2 HB1 MET 2 9.087 -4.533 -7.114
13 HG2 MET 2 HG2 MET 2 7.219 -4.634 -9.494
14 HG3 MET 2 HG1 MET 2 8.477 -3.368 -9.501
15 HE1 MET 2 HE1 MET 2 10.982 -3.808 -10.332
16 HE2 MET 2 HE2 MET 2 11.821 -5.073 -9.371
17 HE3 MET 2 HE3 MET 2 10.782 -3.860 -8.546
18 H ARG 3 HN ARG 3 6.624 -3.583 -5.352
19 HA ARG 3 HA ARG 3 4.507 -2.507 -6.821
20 HB2 ARG 3 HB2 ARG 3 4.985 -2.779 -3.965
21 HB3 ARG 3 HB1 ARG 3 4.413 -1.125 -4.503
22 HG2 ARG 3 HG2 ARG 3 2.377 -2.319 -4.379
23 HG3 ARG 3 HG1 ARG 3 2.895 -2.422 -6.120
24 HD2 ARG 3 HD2 ARG 3 3.515 -4.684 -5.968
25 HD3 ARG 3 HD1 ARG 3 3.630 -4.665 -4.146
26 HE ARG 3 HE ARG 3 0.928 -4.025 -4.883
27 HH11 ARG 3 HH11 ARG 3 3.284 -6.691 -5.040
28 HH12 ARG 3 HH12 ARG 3 2.099 -7.950 -4.958
29 HH21 ARG 3 HH21 ARG 3 -0.687 -5.735 -4.772
30 HH22 ARG 3 HH22 ARG 3 -0.201 -7.396 -4.804
31 H ILE 4 HN ILE 4 4.897 -1.153 -8.017
32 HA ILE 4 HA ILE 4 7.267 -0.311 -8.669
33 HB ILE 4 HB ILE 4 4.907 1.396 -9.011
34 HG12 ILE 4 HG12 ILE 4 3.849 -0.693 -9.307
35 HG13 ILE 4 HG11 ILE 4 4.369 -0.275 -10.987
36 HG21 ILE 4 HG21 ILE 4 7.324 0.634 -10.735
37 HG22 ILE 4 HG22 ILE 4 6.934 2.238 -9.997
38 HG23 ILE 4 HG23 ILE 4 5.921 1.592 -11.349
39 HD11 ILE 4 HD11 ILE 4 5.408 -2.331 -11.055
40 HD12 ILE 4 HD12 ILE 4 5.132 -2.582 -9.279
41 HD13 ILE 4 HD13 ILE 4 6.609 -1.697 -9.853
42 H SER 5 HN SER 5 5.555 0.451 -6.138
43 HA SER 5 HA SER 5 6.048 3.047 -5.747
44 HB2 SER 5 HB2 SER 5 5.502 0.751 -3.930
45 HB3 SER 5 HB1 SER 5 5.465 2.480 -3.351
46 HG SER 5 HG SER 5 3.607 2.786 -4.327
47 H ARG 6 HN ARG 6 7.368 0.130 -4.931
48 HA ARG 6 HA ARG 6 9.056 0.972 -2.887
49 HB2 ARG 6 HB2 ARG 6 9.498 -1.305 -2.814
50 HB3 ARG 6 HB1 ARG 6 7.903 -1.289 -3.708
51 HG2 ARG 6 HG2 ARG 6 9.078 -1.150 -5.823
52 HG3 ARG 6 HG1 ARG 6 10.673 -1.347 -4.978
53 HD2 ARG 6 HD2 ARG 6 8.316 -3.243 -4.606
54 HD3 ARG 6 HD1 ARG 6 9.649 -3.507 -5.822
55 HE ARG 6 HE ARG 6 10.850 -3.006 -3.269
56 HH11 ARG 6 HH11 ARG 6 8.876 -5.431 -4.978
57 HH12 ARG 6 HH12 ARG 6 9.459 -6.779 -4.061
58 HH21 ARG 6 HH21 ARG 6 11.651 -4.848 -2.026
59 HH22 ARG 6 HH22 ARG 6 11.059 -6.441 -2.357
60 H ILE 7 HN ILE 7 8.884 1.128 -6.262
61 HA ILE 7 HA ILE 7 11.670 1.109 -6.572
62 HB ILE 7 HB ILE 7 9.405 1.374 -8.452
63 HG12 ILE 7 HG12 ILE 7 11.406 -0.852 -8.397
64 HG13 ILE 7 HG11 ILE 7 10.274 -0.697 -7.005
65 HG21 ILE 7 HG21 ILE 7 12.441 1.463 -8.915
66 HG22 ILE 7 HG22 ILE 7 11.193 2.651 -9.454
67 HG23 ILE 7 HG23 ILE 7 11.275 1.017 -10.219
68 HD11 ILE 7 HD11 ILE 7 8.534 -1.485 -8.202
69 HD12 ILE 7 HD12 ILE 7 9.709 -1.906 -9.519
70 HD13 ILE 7 HD13 ILE 7 8.841 -0.318 -9.546
71 H ILE 8 HN ILE 8 9.093 3.130 -6.136
72 HA ILE 8 HA ILE 8 10.450 5.424 -7.234
73 HB ILE 8 HB ILE 8 8.363 5.383 -5.107
74 HG12 ILE 8 HG12 ILE 8 7.448 3.866 -6.559
75 HG13 ILE 8 HG11 ILE 8 6.650 5.405 -7.044
76 HG21 ILE 8 HG21 ILE 8 8.022 7.640 -5.682
77 HG22 ILE 8 HG22 ILE 8 8.336 7.353 -7.437
78 HG23 ILE 8 HG23 ILE 8 9.719 7.477 -6.280
79 HD11 ILE 8 HD11 ILE 8 7.255 4.269 -9.079
80 HD12 ILE 8 HD12 ILE 8 8.892 3.846 -8.442
81 HD13 ILE 8 HD13 ILE 8 8.505 5.562 -8.877
82 H LEU 9 HN LEU 9 9.720 3.811 -4.430
83 HA LEU 9 HA LEU 9 10.893 5.351 -2.565
84 HB2 LEU 9 HB2 LEU 9 9.985 2.724 -3.120
85 HB3 LEU 9 HB1 LEU 9 11.330 2.743 -1.928
86 HG LEU 9 HG LEU 9 9.089 4.651 -1.396
87 HD11 LEU 9 HD11 LEU 9 7.828 2.682 -2.270
88 HD12 LEU 9 HD12 LEU 9 7.580 2.873 -0.496
89 HD13 LEU 9 HD13 LEU 9 8.699 1.603 -1.126
90 HD21 LEU 9 HD21 LEU 9 11.312 3.686 -0.066
91 HD22 LEU 9 HD22 LEU 9 10.013 2.623 0.620
92 HD23 LEU 9 HD23 LEU 9 9.873 4.420 0.756
93 H ASP 10 HN ASP 10 12.080 3.120 -4.810
94 HA ASP 10 HA ASP 10 14.497 2.977 -3.441
95 HB2 ASP 10 HB2 ASP 10 13.234 2.294 -5.988
96 HB3 ASP 10 HB1 ASP 10 15.001 2.557 -6.149
97 H PHE 11 HN PHE 11 12.892 5.064 -5.703
98 HA PHE 11 HA PHE 11 15.326 6.432 -6.375
99 HB2 PHE 11 HB2 PHE 11 12.423 6.830 -7.054
100 HB3 PHE 11 HB1 PHE 11 13.795 7.725 -7.872
101 HD1 PHE 11 HD1 PHE 11 11.987 6.168 -9.502
102 HD2 PHE 11 HD2 PHE 11 15.317 4.920 -7.246
103 HE1 PHE 11 HE1 PHE 11 12.145 4.102 -10.738
104 HE2 PHE 11 HE2 PHE 11 15.446 2.976 -8.293
105 HZ PHE 11 HZ PHE 11 13.913 2.438 -10.221
106 H LEU 12 HN LEU 12 13.249 6.276 -4.002
107 HA LEU 12 HA LEU 12 13.144 9.026 -3.595
108 HB2 LEU 12 HB2 LEU 12 12.173 6.564 -2.356
109 HB3 LEU 12 HB1 LEU 12 12.017 8.131 -1.455
110 HG LEU 12 HG LEU 12 11.103 7.559 -4.225
111 HD11 LEU 12 HD11 LEU 12 10.002 6.729 -1.730
112 HD12 LEU 12 HD12 LEU 12 9.357 6.461 -3.387
113 HD13 LEU 12 HD13 LEU 12 8.863 7.933 -2.453
114 HD21 LEU 12 HD21 LEU 12 9.633 9.742 -3.285
115 HD22 LEU 12 HD22 LEU 12 11.071 9.792 -4.383
116 HD23 LEU 12 HD23 LEU 12 11.290 9.993 -2.602
117 H PHE 13 HN PHE 13 14.479 6.108 -2.399
118 HA PHE 13 HA PHE 13 16.092 7.710 -0.537
119 HB2 PHE 13 HB2 PHE 13 14.946 4.969 -0.077
120 HB3 PHE 13 HB1 PHE 13 15.712 6.040 1.186
121 HD1 PHE 13 HD1 PHE 13 13.044 4.979 -0.615
122 HD2 PHE 13 HD2 PHE 13 14.340 8.163 1.760
123 HE1 PHE 13 HE1 PHE 13 10.930 5.678 -0.565
124 HE2 PHE 13 HE2 PHE 13 12.028 8.925 1.945
125 HZ PHE 13 HZ PHE 13 10.223 7.672 0.797
126 H DLE 14 HN DLE 14 15.669 4.963 -2.669
127 HA DLE 14 HA DLE 14 18.353 4.331 -1.988
128 HB2 DLE 14 HB2 DLE 14 17.758 5.165 -4.484
129 HB3 DLE 14 HB1 DLE 14 19.173 4.146 -4.037
130 HG DLE 14 HG DLE 14 16.579 2.768 -4.569
131 HD11 DLE 14 HD11 DLE 14 18.275 3.856 -6.866
132 HD12 DLE 14 HD12 DLE 14 16.821 4.711 -6.207
133 HD13 DLE 14 HD13 DLE 14 16.661 3.061 -6.923
134 HD21 DLE 14 HD21 DLE 14 17.911 0.981 -4.814
135 HD22 DLE 14 HD22 DLE 14 19.234 2.008 -4.153
136 HD23 DLE 14 HD23 DLE 14 19.030 1.839 -5.947
137 H ARG 15 HN ARG 15 15.619 3.684 -1.144
138 HA ARG 15 HA ARG 15 15.026 1.960 0.121
139 HB2 ARG 15 HB2 ARG 15 15.325 0.766 -2.629
140 HB3 ARG 15 HB1 ARG 15 14.680 -0.212 -1.254
141 HG2 ARG 15 HG2 ARG 15 13.603 2.592 -1.658
142 HG3 ARG 15 HG1 ARG 15 13.049 1.294 -2.794
143 HD2 ARG 15 HD2 ARG 15 13.074 0.824 0.242
144 HD3 ARG 15 HD1 ARG 15 11.680 1.672 -0.557
145 HE ARG 15 HE ARG 15 12.184 -0.619 -2.117
146 HH11 ARG 15 HH11 ARG 15 11.342 0.177 1.254
147 HH12 ARG 15 HH12 ARG 15 10.437 -1.271 1.542
148 HH21 ARG 15 HH21 ARG 15 10.941 -2.604 -1.720
149 HH22 ARG 15 HH22 ARG 15 10.206 -2.877 -0.176
150 H LYS 16 HN LYS 16 17.539 2.747 0.005
151 HA LYS 16 HA LYS 16 19.170 0.391 0.527
152 HB2 LYS 16 HB2 LYS 16 21.116 1.730 -0.095
153 HB3 LYS 16 HB1 LYS 16 19.884 1.948 -1.394
154 HG2 LYS 16 HG2 LYS 16 19.111 4.066 -0.241
155 HG3 LYS 16 HG1 LYS 16 20.479 3.890 0.915
156 HD2 LYS 16 HD2 LYS 16 22.073 4.490 -0.662
157 HD3 LYS 16 HD1 LYS 16 21.170 3.750 -2.029
158 HE2 LYS 16 HE2 LYS 16 19.637 5.671 -2.172
159 HE3 LYS 16 HE1 LYS 16 20.282 6.365 -0.627
160 HZ1 LYS 16 HZ1 LYS 16 22.253 5.826 -2.698
161 HZ2 LYS 16 HZ2 LYS 16 22.077 7.155 -1.654
162 HZ3 LYS 16 HZ3 LYS 16 21.120 7.040 -3.053
163 H LYS 17 HN LYS 17 17.175 2.459 1.999
164 HA LYS 17 HA LYS 17 18.971 2.630 4.265
165 HB2 LYS 17 HB2 LYS 17 17.077 4.833 3.295
166 HB3 LYS 17 HB1 LYS 17 17.977 4.869 4.858
167 HG2 LYS 17 HG2 LYS 17 20.140 4.738 3.598
168 HG3 LYS 17 HG1 LYS 17 19.224 4.733 2.053
169 HD2 LYS 17 HD2 LYS 17 18.268 6.987 2.617
170 HD3 LYS 17 HD1 LYS 17 19.196 6.994 4.155
171 HE2 LYS 17 HE2 LYS 17 20.459 6.847 1.334
172 HE3 LYS 17 HE1 LYS 17 20.332 8.342 2.351
173 HZ1 LYS 17 HZ1 LYS 17 22.168 6.156 2.501
174 HZ2 LYS 17 HZ2 LYS 17 21.442 6.481 4.001
175 HZ3 LYS 17 HZ3 LYS 17 22.256 7.716 3.165
Start of MODEL 14
1 H1 GLU 1 HT1 GLU 1 4.780 -7.277 -2.176
2 H2 GLU 1 HT2 GLU 1 6.393 -6.777 -1.991
3 H3 GLU 1 HT3 GLU 1 5.998 -8.426 -1.890
4 HA GLU 1 HA GLU 1 7.048 -7.690 -4.000
5 HB2 GLU 1 HB2 GLU 1 5.252 -9.691 -3.491
6 HB3 GLU 1 HB1 GLU 1 4.290 -8.748 -4.679
7 HG2 GLU 1 HG2 GLU 1 5.487 -10.431 -5.952
8 HG3 GLU 1 HG1 GLU 1 6.347 -8.871 -6.264
9 H MET 2 HN MET 2 7.241 -5.732 -5.050
10 HA MET 2 HA MET 2 4.771 -4.670 -6.203
11 HB2 MET 2 HB2 MET 2 6.520 -3.196 -4.231
12 HB3 MET 2 HB1 MET 2 6.092 -2.305 -5.748
13 HG2 MET 2 HG2 MET 2 3.849 -2.202 -5.253
14 HG3 MET 2 HG1 MET 2 3.839 -3.730 -4.309
15 HE1 MET 2 HE1 MET 2 4.142 -4.117 -2.138
16 HE2 MET 2 HE2 MET 2 4.648 -3.021 -0.806
17 HE3 MET 2 HE3 MET 2 5.863 -3.619 -1.987
18 H ARG 3 HN ARG 3 5.225 -2.900 -7.441
19 HA ARG 3 HA ARG 3 7.318 -3.468 -9.263
20 HB2 ARG 3 HB2 ARG 3 4.473 -2.708 -9.363
21 HB3 ARG 3 HB1 ARG 3 5.473 -1.667 -10.409
22 HG2 ARG 3 HG2 ARG 3 6.325 -3.436 -11.606
23 HG3 ARG 3 HG1 ARG 3 5.731 -4.657 -10.409
24 HD2 ARG 3 HD2 ARG 3 3.380 -4.166 -11.022
25 HD3 ARG 3 HD1 ARG 3 3.928 -2.838 -12.137
26 HE ARG 3 HE ARG 3 5.278 -5.208 -12.957
27 HH11 ARG 3 HH11 ARG 3 1.959 -3.961 -12.620
28 HH12 ARG 3 HH12 ARG 3 1.310 -4.893 -13.927
29 HH21 ARG 3 HH21 ARG 3 4.397 -6.477 -14.737
30 HH22 ARG 3 HH22 ARG 3 2.721 -6.349 -15.150
31 H ILE 4 HN ILE 4 6.859 -1.007 -10.453
32 HA ILE 4 HA ILE 4 8.716 0.541 -9.931
33 HB ILE 4 HB ILE 4 6.897 2.434 -10.219
34 HG12 ILE 4 HG12 ILE 4 4.882 1.560 -11.294
35 HG13 ILE 4 HG11 ILE 4 5.512 -0.117 -11.237
36 HG21 ILE 4 HG21 ILE 4 7.813 0.339 -12.296
37 HG22 ILE 4 HG22 ILE 4 8.668 1.870 -11.858
38 HG23 ILE 4 HG23 ILE 4 7.079 1.935 -12.710
39 HD11 ILE 4 HD11 ILE 4 5.038 1.503 -8.665
40 HD12 ILE 4 HD12 ILE 4 5.185 -0.295 -8.823
41 HD13 ILE 4 HD13 ILE 4 3.714 0.561 -9.443
42 H SER 5 HN SER 5 6.354 -0.027 -7.648
43 HA SER 5 HA SER 5 6.210 2.306 -6.253
44 HB2 SER 5 HB2 SER 5 6.203 -0.548 -5.392
45 HB3 SER 5 HB1 SER 5 5.701 0.816 -4.308
46 HG SER 5 HG SER 5 3.817 0.628 -5.164
47 H ARG 6 HN ARG 6 8.189 -0.407 -6.391
48 HA ARG 6 HA ARG 6 9.678 -0.021 -4.056
49 HB2 ARG 6 HB2 ARG 6 10.811 -1.961 -4.869
50 HB3 ARG 6 HB1 ARG 6 9.082 -2.127 -5.404
51 HG2 ARG 6 HG2 ARG 6 9.799 -0.827 -7.491
52 HG3 ARG 6 HG1 ARG 6 11.492 -1.307 -7.029
53 HD2 ARG 6 HD2 ARG 6 9.131 -3.230 -7.271
54 HD3 ARG 6 HD1 ARG 6 10.354 -2.933 -8.592
55 HE ARG 6 HE ARG 6 11.700 -3.556 -6.098
56 HH11 ARG 6 HH11 ARG 6 9.730 -5.011 -8.686
57 HH12 ARG 6 HH12 ARG 6 10.419 -6.592 -8.539
58 HH21 ARG 6 HH21 ARG 6 12.639 -5.713 -5.895
59 HH22 ARG 6 HH22 ARG 6 12.100 -6.998 -6.922
60 H ILE 7 HN ILE 7 9.451 1.182 -7.214
61 HA ILE 7 HA ILE 7 12.176 1.873 -7.282
62 HB ILE 7 HB ILE 7 9.947 2.028 -9.226
63 HG12 ILE 7 HG12 ILE 7 12.579 0.570 -9.514
64 HG13 ILE 7 HG11 ILE 7 11.420 0.011 -8.261
65 HG21 ILE 7 HG21 ILE 7 11.765 2.794 -10.867
66 HG22 ILE 7 HG22 ILE 7 12.835 3.084 -9.441
67 HG23 ILE 7 HG23 ILE 7 11.304 4.024 -9.628
68 HD11 ILE 7 HD11 ILE 7 10.253 0.506 -10.989
69 HD12 ILE 7 HD12 ILE 7 9.905 -0.788 -9.770
70 HD13 ILE 7 HD13 ILE 7 11.371 -0.908 -10.835
71 H ILE 8 HN ILE 8 9.191 3.056 -6.514
72 HA ILE 8 HA ILE 8 10.003 5.809 -6.786
73 HB ILE 8 HB ILE 8 7.991 4.697 -4.891
74 HG12 ILE 8 HG12 ILE 8 7.366 3.588 -6.779
75 HG13 ILE 8 HG11 ILE 8 6.294 5.028 -6.823
76 HG21 ILE 8 HG21 ILE 8 7.239 6.903 -4.699
77 HG22 ILE 8 HG22 ILE 8 7.466 7.246 -6.456
78 HG23 ILE 8 HG23 ILE 8 8.880 7.297 -5.334
79 HD11 ILE 8 HD11 ILE 8 8.004 6.091 -8.433
80 HD12 ILE 8 HD12 ILE 8 7.152 4.630 -9.074
81 HD13 ILE 8 HD13 ILE 8 8.846 4.490 -8.461
82 H LEU 9 HN LEU 9 9.672 3.312 -4.651
83 HA LEU 9 HA LEU 9 10.466 4.415 -2.327
84 HB2 LEU 9 HB2 LEU 9 10.179 1.961 -3.731
85 HB3 LEU 9 HB1 LEU 9 11.444 1.886 -2.461
86 HG LEU 9 HG LEU 9 8.689 2.951 -1.779
87 HD11 LEU 9 HD11 LEU 9 8.028 0.534 -1.195
88 HD12 LEU 9 HD12 LEU 9 9.456 -0.009 -2.161
89 HD13 LEU 9 HD13 LEU 9 8.118 0.892 -2.960
90 HD21 LEU 9 HD21 LEU 9 9.470 2.735 0.354
91 HD22 LEU 9 HD22 LEU 9 11.098 2.526 -0.418
92 HD23 LEU 9 HD23 LEU 9 10.115 1.076 0.043
93 H ASP 10 HN ASP 10 12.124 3.302 -5.066
94 HA ASP 10 HA ASP 10 14.504 3.360 -3.591
95 HB2 ASP 10 HB2 ASP 10 13.497 3.096 -6.316
96 HB3 ASP 10 HB1 ASP 10 15.153 3.798 -6.238
97 H PHE 11 HN PHE 11 12.424 5.545 -5.321
98 HA PHE 11 HA PHE 11 14.465 7.555 -5.435
99 HB2 PHE 11 HB2 PHE 11 11.533 7.493 -6.083
100 HB3 PHE 11 HB1 PHE 11 12.650 8.877 -6.527
101 HD1 PHE 11 HD1 PHE 11 11.228 7.518 -8.646
102 HD2 PHE 11 HD2 PHE 11 14.806 6.409 -6.680
103 HE1 PHE 11 HE1 PHE 11 11.840 6.018 -10.432
104 HE2 PHE 11 HE2 PHE 11 15.346 4.961 -8.262
105 HZ PHE 11 HZ PHE 11 13.947 4.714 -10.340
106 H LEU 12 HN LEU 12 12.589 6.224 -3.294
107 HA LEU 12 HA LEU 12 11.940 8.624 -2.033
108 HB2 LEU 12 HB2 LEU 12 11.498 5.751 -1.669
109 HB3 LEU 12 HB1 LEU 12 11.067 6.910 -0.340
110 HG LEU 12 HG LEU 12 10.226 7.084 -3.181
111 HD11 LEU 12 HD11 LEU 12 8.777 5.436 -2.822
112 HD12 LEU 12 HD12 LEU 12 7.995 6.400 -1.502
113 HD13 LEU 12 HD13 LEU 12 9.375 5.287 -1.133
114 HD21 LEU 12 HD21 LEU 12 9.750 9.192 -2.588
115 HD22 LEU 12 HD22 LEU 12 9.953 8.821 -0.832
116 HD23 LEU 12 HD23 LEU 12 8.369 8.499 -1.649
117 H PHE 13 HN PHE 13 13.886 5.775 -1.827
118 HA PHE 13 HA PHE 13 15.286 7.031 0.444
119 HB2 PHE 13 HB2 PHE 13 14.607 4.109 0.134
120 HB3 PHE 13 HB1 PHE 13 15.297 4.900 1.625
121 HD1 PHE 13 HD1 PHE 13 12.717 4.051 -0.411
122 HD2 PHE 13 HD2 PHE 13 13.666 6.430 2.885
123 HE1 PHE 13 HE1 PHE 13 10.551 4.348 -0.132
124 HE2 PHE 13 HE2 PHE 13 11.280 6.715 3.320
125 HZ PHE 13 HZ PHE 13 9.617 5.642 1.821
126 H DLE 14 HN DLE 14 15.215 4.971 -2.424
127 HA DLE 14 HA DLE 14 18.072 4.767 -2.110
128 HB2 DLE 14 HB2 DLE 14 18.298 4.034 -4.419
129 HB3 DLE 14 HB1 DLE 14 16.513 4.284 -4.620
130 HG DLE 14 HG DLE 14 16.910 6.561 -3.698
131 HD11 DLE 14 HD11 DLE 14 18.999 7.301 -3.229
132 HD12 DLE 14 HD12 DLE 14 19.729 6.513 -4.685
133 HD13 DLE 14 HD13 DLE 14 19.387 5.533 -3.187
134 HD21 DLE 14 HD21 DLE 14 16.697 7.310 -5.816
135 HD22 DLE 14 HD22 DLE 14 16.740 5.555 -6.231
136 HD23 DLE 14 HD23 DLE 14 18.249 6.552 -6.362
137 H ARG 15 HN ARG 15 15.685 3.454 -1.118
138 HA ARG 15 HA ARG 15 15.486 1.499 -0.294
139 HB2 ARG 15 HB2 ARG 15 15.829 0.898 -3.237
140 HB3 ARG 15 HB1 ARG 15 15.271 -0.366 -2.062
141 HG2 ARG 15 HG2 ARG 15 13.953 2.364 -1.938
142 HG3 ARG 15 HG1 ARG 15 13.533 1.295 -3.341
143 HD2 ARG 15 HD2 ARG 15 13.625 0.084 -0.532
144 HD3 ARG 15 HD1 ARG 15 12.187 1.075 -1.018
145 HE ARG 15 HE ARG 15 12.641 -0.645 -3.183
146 HH11 ARG 15 HH11 ARG 15 12.046 -0.943 0.319
147 HH12 ARG 15 HH12 ARG 15 11.250 -2.478 0.216
148 HH21 ARG 15 HH21 ARG 15 11.558 -2.747 -3.321
149 HH22 ARG 15 HH22 ARG 15 10.969 -3.520 -1.889
150 H LYS 16 HN LYS 16 17.832 2.723 -0.368
151 HA LYS 16 HA LYS 16 19.908 0.723 -0.573
152 HB2 LYS 16 HB2 LYS 16 21.473 2.674 -0.518
153 HB3 LYS 16 HB1 LYS 16 20.287 2.790 -1.879
154 HG2 LYS 16 HG2 LYS 16 18.851 4.260 -0.556
155 HG3 LYS 16 HG1 LYS 16 19.956 4.144 0.854
156 HD2 LYS 16 HD2 LYS 16 21.678 5.390 -0.264
157 HD3 LYS 16 HD1 LYS 16 20.912 5.176 -1.876
158 HE2 LYS 16 HE2 LYS 16 19.010 6.650 -1.224
159 HE3 LYS 16 HE1 LYS 16 19.684 6.806 0.455
160 HZ1 LYS 16 HZ1 LYS 16 21.234 7.558 -1.964
161 HZ2 LYS 16 HZ2 LYS 16 21.513 7.987 -0.345
162 HZ3 LYS 16 HZ3 LYS 16 20.180 8.632 -1.177
163 H LYS 17 HN LYS 17 17.708 1.977 1.533
164 HA LYS 17 HA LYS 17 19.610 1.730 3.712
165 HB2 LYS 17 HB2 LYS 17 17.102 3.432 3.922
166 HB3 LYS 17 HB1 LYS 17 18.591 3.501 4.933
167 HG2 LYS 17 HG2 LYS 17 19.853 4.267 2.836
168 HG3 LYS 17 HG1 LYS 17 18.260 4.412 2.017
169 HD2 LYS 17 HD2 LYS 17 19.002 5.868 4.636
170 HD3 LYS 17 HD1 LYS 17 19.175 6.585 2.997
171 HE2 LYS 17 HE2 LYS 17 16.690 6.299 2.625
172 HE3 LYS 17 HE1 LYS 17 16.535 5.635 4.305
173 HZ1 LYS 17 HZ1 LYS 17 17.965 8.001 4.487
174 HZ2 LYS 17 HZ2 LYS 17 16.372 7.690 4.987
175 HZ3 LYS 17 HZ3 LYS 17 16.670 8.313 3.434
Start of MODEL 15
1 H1 GLU 1 HT1 GLU 1 6.088 -8.675 -10.117
2 H2 GLU 1 HT2 GLU 1 7.712 -9.171 -10.077
3 H3 GLU 1 HT3 GLU 1 7.318 -7.540 -9.821
4 HA GLU 1 HA GLU 1 5.872 -9.031 -7.993
5 HB2 GLU 1 HB2 GLU 1 8.887 -9.639 -7.992
6 HB3 GLU 1 HB1 GLU 1 7.733 -10.120 -6.699
7 HG2 GLU 1 HG2 GLU 1 7.555 -11.076 -9.640
8 HG3 GLU 1 HG1 GLU 1 8.304 -12.015 -8.291
9 H MET 2 HN MET 2 5.987 -6.338 -8.474
10 HA MET 2 HA MET 2 7.171 -5.391 -6.003
11 HB2 MET 2 HB2 MET 2 7.861 -3.139 -7.349
12 HB3 MET 2 HB1 MET 2 9.062 -4.533 -7.221
13 HG2 MET 2 HG2 MET 2 7.111 -4.558 -9.553
14 HG3 MET 2 HG1 MET 2 8.458 -3.387 -9.584
15 HE1 MET 2 HE1 MET 2 11.531 -5.288 -8.941
16 HE2 MET 2 HE2 MET 2 10.575 -3.767 -8.966
17 HE3 MET 2 HE3 MET 2 11.242 -4.433 -10.497
18 H ARG 3 HN ARG 3 6.686 -3.589 -5.376
19 HA ARG 3 HA ARG 3 4.510 -2.492 -6.739
20 HB2 ARG 3 HB2 ARG 3 5.114 -2.790 -3.911
21 HB3 ARG 3 HB1 ARG 3 4.544 -1.123 -4.407
22 HG2 ARG 3 HG2 ARG 3 2.498 -2.282 -4.204
23 HG3 ARG 3 HG1 ARG 3 2.936 -2.380 -5.967
24 HD2 ARG 3 HD2 ARG 3 3.567 -4.652 -5.842
25 HD3 ARG 3 HD1 ARG 3 3.687 -4.654 -4.023
26 HE ARG 3 HE ARG 3 1.208 -4.895 -5.643
27 HH11 ARG 3 HH11 ARG 3 2.701 -4.135 -2.496
28 HH12 ARG 3 HH12 ARG 3 1.279 -4.473 -1.568
29 HH21 ARG 3 HH21 ARG 3 -0.723 -5.351 -4.378
30 HH22 ARG 3 HH22 ARG 3 -0.699 -5.175 -2.656
31 H ILE 4 HN ILE 4 4.859 -1.128 -7.949
32 HA ILE 4 HA ILE 4 7.218 -0.279 -8.665
33 HB ILE 4 HB ILE 4 4.850 1.432 -8.936
34 HG12 ILE 4 HG12 ILE 4 3.781 -0.659 -9.195
35 HG13 ILE 4 HG11 ILE 4 4.236 -0.230 -10.892
36 HG21 ILE 4 HG21 ILE 4 5.794 1.659 -11.285
37 HG22 ILE 4 HG22 ILE 4 7.189 0.641 -10.759
38 HG23 ILE 4 HG23 ILE 4 6.886 2.239 -9.968
39 HD11 ILE 4 HD11 ILE 4 6.515 -1.664 -9.841
40 HD12 ILE 4 HD12 ILE 4 5.278 -2.280 -11.014
41 HD13 ILE 4 HD13 ILE 4 5.051 -2.551 -9.234
42 H SER 5 HN SER 5 5.563 0.440 -6.090
43 HA SER 5 HA SER 5 6.055 3.031 -5.680
44 HB2 SER 5 HB2 SER 5 5.537 0.715 -3.885
45 HB3 SER 5 HB1 SER 5 5.510 2.437 -3.282
46 HG SER 5 HG SER 5 3.733 2.840 -4.533
47 H ARG 6 HN ARG 6 7.397 0.104 -4.916
48 HA ARG 6 HA ARG 6 9.127 0.931 -2.899
49 HB2 ARG 6 HB2 ARG 6 9.590 -1.343 -2.855
50 HB3 ARG 6 HB1 ARG 6 7.974 -1.331 -3.711
51 HG2 ARG 6 HG2 ARG 6 9.120 -1.134 -5.851
52 HG3 ARG 6 HG1 ARG 6 10.721 -1.382 -5.032
53 HD2 ARG 6 HD2 ARG 6 8.336 -3.245 -4.664
54 HD3 ARG 6 HD1 ARG 6 9.623 -3.494 -5.933
55 HE ARG 6 HE ARG 6 10.852 -3.089 -3.347
56 HH11 ARG 6 HH11 ARG 6 9.012 -5.450 -5.279
57 HH12 ARG 6 HH12 ARG 6 9.673 -6.842 -4.494
58 HH21 ARG 6 HH21 ARG 6 11.762 -4.990 -2.284
59 HH22 ARG 6 HH22 ARG 6 11.262 -6.577 -2.764
60 H ILE 7 HN ILE 7 8.879 1.126 -6.263
61 HA ILE 7 HA ILE 7 11.655 1.120 -6.640
62 HB ILE 7 HB ILE 7 9.341 1.393 -8.459
63 HG12 ILE 7 HG12 ILE 7 11.360 -0.816 -8.486
64 HG13 ILE 7 HG11 ILE 7 10.264 -0.687 -7.063
65 HG21 ILE 7 HG21 ILE 7 11.128 1.108 -10.296
66 HG22 ILE 7 HG22 ILE 7 12.363 1.469 -9.029
67 HG23 ILE 7 HG23 ILE 7 11.123 2.708 -9.461
68 HD11 ILE 7 HD11 ILE 7 8.771 -0.290 -9.573
69 HD12 ILE 7 HD12 ILE 7 8.492 -1.461 -8.224
70 HD13 ILE 7 HD13 ILE 7 9.638 -1.879 -9.568
71 H ILE 8 HN ILE 8 9.080 3.128 -6.122
72 HA ILE 8 HA ILE 8 10.425 5.436 -7.211
73 HB ILE 8 HB ILE 8 8.365 5.376 -5.057
74 HG12 ILE 8 HG12 ILE 8 7.426 3.873 -6.506
75 HG13 ILE 8 HG11 ILE 8 6.622 5.418 -6.964
76 HG21 ILE 8 HG21 ILE 8 8.362 7.363 -7.386
77 HG22 ILE 8 HG22 ILE 8 9.695 7.488 -6.175
78 HG23 ILE 8 HG23 ILE 8 7.975 7.635 -5.645
79 HD11 ILE 8 HD11 ILE 8 8.449 5.586 -8.826
80 HD12 ILE 8 HD12 ILE 8 7.191 4.300 -9.020
81 HD13 ILE 8 HD13 ILE 8 8.836 3.867 -8.415
82 H LEU 9 HN LEU 9 9.725 3.789 -4.417
83 HA LEU 9 HA LEU 9 10.909 5.309 -2.544
84 HB2 LEU 9 HB2 LEU 9 10.013 2.682 -3.123
85 HB3 LEU 9 HB1 LEU 9 11.365 2.697 -1.943
86 HG LEU 9 HG LEU 9 9.110 4.580 -1.372
87 HD11 LEU 9 HD11 LEU 9 7.852 2.611 -2.238
88 HD12 LEU 9 HD12 LEU 9 7.642 2.769 -0.457
89 HD13 LEU 9 HD13 LEU 9 8.763 1.523 -1.132
90 HD21 LEU 9 HD21 LEU 9 9.922 4.345 0.765
91 HD22 LEU 9 HD22 LEU 9 11.359 3.625 -0.073
92 HD23 LEU 9 HD23 LEU 9 10.077 2.551 0.621
93 H ASP 10 HN ASP 10 12.079 3.104 -4.822
94 HA ASP 10 HA ASP 10 14.508 2.931 -3.480
95 HB2 ASP 10 HB2 ASP 10 13.210 2.318 -6.036
96 HB3 ASP 10 HB1 ASP 10 14.978 2.546 -6.198
97 H PHE 11 HN PHE 11 12.891 5.052 -5.708
98 HA PHE 11 HA PHE 11 15.321 6.425 -6.379
99 HB2 PHE 11 HB2 PHE 11 12.416 6.826 -7.042
100 HB3 PHE 11 HB1 PHE 11 13.785 7.724 -7.862
101 HD1 PHE 11 HD1 PHE 11 11.957 6.162 -9.480
102 HD2 PHE 11 HD2 PHE 11 15.321 4.928 -7.268
103 HE1 PHE 11 HE1 PHE 11 12.112 4.103 -10.723
104 HE2 PHE 11 HE2 PHE 11 15.448 2.985 -8.325
105 HZ PHE 11 HZ PHE 11 13.893 2.447 -10.234
106 H LEU 12 HN LEU 12 13.257 6.249 -4.001
107 HA LEU 12 HA LEU 12 13.149 8.995 -3.572
108 HB2 LEU 12 HB2 LEU 12 12.188 6.522 -2.345
109 HB3 LEU 12 HB1 LEU 12 12.037 8.081 -1.431
110 HG LEU 12 HG LEU 12 11.105 7.536 -4.199
111 HD11 LEU 12 HD11 LEU 12 9.376 6.417 -3.351
112 HD12 LEU 12 HD12 LEU 12 8.870 7.889 -2.426
113 HD13 LEU 12 HD13 LEU 12 10.017 6.693 -1.696
114 HD21 LEU 12 HD21 LEU 12 9.638 9.703 -3.281
115 HD22 LEU 12 HD22 LEU 12 11.125 9.778 -4.308
116 HD23 LEU 12 HD23 LEU 12 11.258 9.948 -2.515
117 H PHE 13 HN PHE 13 14.497 6.071 -2.402
118 HA PHE 13 HA PHE 13 16.113 7.671 -0.539
119 HB2 PHE 13 HB2 PHE 13 14.973 4.924 -0.083
120 HB3 PHE 13 HB1 PHE 13 15.739 5.995 1.181
121 HD1 PHE 13 HD1 PHE 13 13.072 4.929 -0.617
122 HD2 PHE 13 HD2 PHE 13 14.362 8.109 1.768
123 HE1 PHE 13 HE1 PHE 13 10.955 5.616 -0.554
124 HE2 PHE 13 HE2 PHE 13 12.048 8.859 1.963
125 HZ PHE 13 HZ PHE 13 10.243 7.602 0.819
126 H DLE 14 HN DLE 14 15.692 4.941 -2.692
127 HA DLE 14 HA DLE 14 18.379 4.312 -2.018
128 HB2 DLE 14 HB2 DLE 14 17.770 5.115 -4.512
129 HB3 DLE 14 HB1 DLE 14 19.176 4.082 -4.072
130 HG DLE 14 HG DLE 14 16.553 2.743 -4.564
131 HD11 DLE 14 HD11 DLE 14 16.801 4.650 -6.229
132 HD12 DLE 14 HD12 DLE 14 16.651 2.990 -6.936
133 HD13 DLE 14 HD13 DLE 14 18.260 3.794 -6.874
134 HD21 DLE 14 HD21 DLE 14 19.220 1.947 -4.183
135 HD22 DLE 14 HD22 DLE 14 18.945 1.722 -5.962
136 HD23 DLE 14 HD23 DLE 14 17.851 0.929 -4.756
137 H ARG 15 HN ARG 15 15.626 3.666 -1.180
138 HA ARG 15 HA ARG 15 15.027 1.962 0.109
139 HB2 ARG 15 HB2 ARG 15 15.375 0.734 -2.616
140 HB3 ARG 15 HB1 ARG 15 14.727 -0.236 -1.239
141 HG2 ARG 15 HG2 ARG 15 13.610 2.543 -1.675
142 HG3 ARG 15 HG1 ARG 15 13.104 1.237 -2.826
143 HD2 ARG 15 HD2 ARG 15 13.076 0.776 0.213
144 HD3 ARG 15 HD1 ARG 15 11.673 1.568 -0.627
145 HE ARG 15 HE ARG 15 12.291 -0.707 -2.163
146 HH11 ARG 15 HH11 ARG 15 11.363 0.056 1.192
147 HH12 ARG 15 HH12 ARG 15 10.530 -1.437 1.472
148 HH21 ARG 15 HH21 ARG 15 11.153 -2.751 -1.777
149 HH22 ARG 15 HH22 ARG 15 10.409 -3.058 -0.245
150 H LYS 16 HN LYS 16 17.539 2.765 0.008
151 HA LYS 16 HA LYS 16 19.174 0.429 0.602
152 HB2 LYS 16 HB2 LYS 16 21.124 1.746 -0.043
153 HB3 LYS 16 HB1 LYS 16 19.901 1.937 -1.357
154 HG2 LYS 16 HG2 LYS 16 19.127 4.081 -0.251
155 HG3 LYS 16 HG1 LYS 16 20.490 3.928 0.911
156 HD2 LYS 16 HD2 LYS 16 22.087 4.495 -0.675
157 HD3 LYS 16 HD1 LYS 16 21.187 3.729 -2.029
158 HE2 LYS 16 HE2 LYS 16 19.651 5.648 -2.207
159 HE3 LYS 16 HE1 LYS 16 20.298 6.373 -0.677
160 HZ1 LYS 16 HZ1 LYS 16 22.380 5.832 -2.554
161 HZ2 LYS 16 HZ2 LYS 16 21.937 7.285 -1.795
162 HZ3 LYS 16 HZ3 LYS 16 21.175 6.812 -3.236
163 H LYS 17 HN LYS 17 17.172 2.558 2.001
164 HA LYS 17 HA LYS 17 18.946 2.764 4.281
165 HB2 LYS 17 HB2 LYS 17 17.108 4.975 3.228
166 HB3 LYS 17 HB1 LYS 17 17.975 5.032 4.809
167 HG2 LYS 17 HG2 LYS 17 20.162 4.843 3.603
168 HG3 LYS 17 HG1 LYS 17 19.283 4.810 2.037
169 HD2 LYS 17 HD2 LYS 17 18.359 7.091 2.500
170 HD3 LYS 17 HD1 LYS 17 19.218 7.125 4.079
171 HE2 LYS 17 HE2 LYS 17 21.427 6.988 2.889
172 HE3 LYS 17 HE1 LYS 17 20.562 6.943 1.297
173 HZ1 LYS 17 HZ1 LYS 17 19.654 9.104 2.893
174 HZ2 LYS 17 HZ2 LYS 17 20.366 9.108 1.353
175 HZ3 LYS 17 HZ3 LYS 17 21.343 9.151 2.740
Start of MODEL 16
1 H1 GLU 1 HT1 GLU 1 7.763 -8.375 -4.755
2 H2 GLU 1 HT2 GLU 1 9.180 -7.976 -3.908
3 H3 GLU 1 HT3 GLU 1 8.729 -7.077 -5.276
4 HA GLU 1 HA GLU 1 6.713 -7.189 -3.255
5 HB2 GLU 1 HB2 GLU 1 8.865 -7.155 -1.882
6 HB3 GLU 1 HB1 GLU 1 9.303 -5.624 -2.717
7 HG2 GLU 1 HG2 GLU 1 7.269 -4.500 -1.773
8 HG3 GLU 1 HG1 GLU 1 6.788 -6.042 -0.957
9 H MET 2 HN MET 2 5.487 -6.347 -5.063
10 HA MET 2 HA MET 2 4.564 -4.648 -6.214
11 HB2 MET 2 HB2 MET 2 6.087 -3.061 -4.184
12 HB3 MET 2 HB1 MET 2 5.895 -2.228 -5.779
13 HG2 MET 2 HG2 MET 2 4.061 -1.649 -4.238
14 HG3 MET 2 HG1 MET 2 3.458 -2.515 -5.686
15 HE1 MET 2 HE1 MET 2 0.979 -3.393 -2.796
16 HE2 MET 2 HE2 MET 2 1.276 -2.520 -4.339
17 HE3 MET 2 HE3 MET 2 2.002 -1.914 -2.810
18 H ARG 3 HN ARG 3 5.048 -2.809 -7.446
19 HA ARG 3 HA ARG 3 7.126 -3.441 -9.265
20 HB2 ARG 3 HB2 ARG 3 4.300 -2.633 -9.374
21 HB3 ARG 3 HB1 ARG 3 5.316 -1.614 -10.426
22 HG2 ARG 3 HG2 ARG 3 6.141 -3.407 -11.612
23 HG3 ARG 3 HG1 ARG 3 5.527 -4.610 -10.405
24 HD2 ARG 3 HD2 ARG 3 3.184 -4.077 -11.020
25 HD3 ARG 3 HD1 ARG 3 3.758 -2.778 -12.155
26 HE ARG 3 HE ARG 3 5.060 -5.186 -12.940
27 HH11 ARG 3 HH11 ARG 3 1.765 -3.873 -12.616
28 HH12 ARG 3 HH12 ARG 3 1.097 -4.816 -13.906
29 HH21 ARG 3 HH21 ARG 3 4.153 -6.467 -14.696
30 HH22 ARG 3 HH22 ARG 3 2.477 -6.316 -15.109
31 H ILE 4 HN ILE 4 6.725 -0.984 -10.480
32 HA ILE 4 HA ILE 4 8.615 0.527 -9.965
33 HB ILE 4 HB ILE 4 6.834 2.455 -10.280
34 HG12 ILE 4 HG12 ILE 4 4.815 1.609 -11.369
35 HG13 ILE 4 HG11 ILE 4 5.414 -0.079 -11.292
36 HG21 ILE 4 HG21 ILE 4 7.032 1.939 -12.766
37 HG22 ILE 4 HG22 ILE 4 7.732 0.333 -12.334
38 HG23 ILE 4 HG23 ILE 4 8.611 1.849 -11.897
39 HD11 ILE 4 HD11 ILE 4 3.612 0.655 -9.521
40 HD12 ILE 4 HD12 ILE 4 4.953 1.568 -8.737
41 HD13 ILE 4 HD13 ILE 4 5.058 -0.234 -8.884
42 H SER 5 HN SER 5 6.230 0.031 -7.688
43 HA SER 5 HA SER 5 6.128 2.380 -6.316
44 HB2 SER 5 HB2 SER 5 6.060 -0.468 -5.428
45 HB3 SER 5 HB1 SER 5 5.582 0.914 -4.357
46 HG SER 5 HG SER 5 3.825 1.268 -5.579
47 H ARG 6 HN ARG 6 8.052 -0.378 -6.418
48 HA ARG 6 HA ARG 6 9.541 -0.003 -4.082
49 HB2 ARG 6 HB2 ARG 6 10.636 -1.973 -4.875
50 HB3 ARG 6 HB1 ARG 6 8.906 -2.107 -5.412
51 HG2 ARG 6 HG2 ARG 6 9.655 -0.841 -7.511
52 HG3 ARG 6 HG1 ARG 6 11.337 -1.356 -7.040
53 HD2 ARG 6 HD2 ARG 6 8.933 -3.228 -7.270
54 HD3 ARG 6 HD1 ARG 6 10.167 -2.971 -8.591
55 HE ARG 6 HE ARG 6 11.496 -3.598 -6.093
56 HH11 ARG 6 HH11 ARG 6 9.477 -5.041 -8.650
57 HH12 ARG 6 HH12 ARG 6 10.125 -6.637 -8.479
58 HH21 ARG 6 HH21 ARG 6 12.376 -5.776 -5.856
59 HH22 ARG 6 HH22 ARG 6 11.800 -7.062 -6.861
60 H ILE 7 HN ILE 7 9.350 1.177 -7.249
61 HA ILE 7 HA ILE 7 12.087 1.812 -7.317
62 HB ILE 7 HB ILE 7 9.869 1.991 -9.269
63 HG12 ILE 7 HG12 ILE 7 12.472 0.480 -9.534
64 HG13 ILE 7 HG11 ILE 7 11.300 -0.045 -8.279
65 HG21 ILE 7 HG21 ILE 7 12.781 2.979 -9.494
66 HG22 ILE 7 HG22 ILE 7 11.275 3.960 -9.676
67 HG23 ILE 7 HG23 ILE 7 11.697 2.713 -10.912
68 HD11 ILE 7 HD11 ILE 7 11.238 -0.993 -10.840
69 HD12 ILE 7 HD12 ILE 7 10.154 0.445 -11.020
70 HD13 ILE 7 HD13 ILE 7 9.772 -0.827 -9.785
71 H ILE 8 HN ILE 8 9.128 3.061 -6.562
72 HA ILE 8 HA ILE 8 10.007 5.793 -6.856
73 HB ILE 8 HB ILE 8 7.953 4.751 -4.967
74 HG12 ILE 8 HG12 ILE 8 7.315 3.635 -6.847
75 HG13 ILE 8 HG11 ILE 8 6.277 5.099 -6.913
76 HG21 ILE 8 HG21 ILE 8 7.242 6.977 -4.817
77 HG22 ILE 8 HG22 ILE 8 7.519 7.297 -6.571
78 HG23 ILE 8 HG23 ILE 8 8.908 7.320 -5.419
79 HD11 ILE 8 HD11 ILE 8 7.140 4.656 -9.155
80 HD12 ILE 8 HD12 ILE 8 8.826 4.487 -8.530
81 HD13 ILE 8 HD13 ILE 8 8.016 6.107 -8.525
82 H LEU 9 HN LEU 9 9.594 3.325 -4.704
83 HA LEU 9 HA LEU 9 10.397 4.427 -2.381
84 HB2 LEU 9 HB2 LEU 9 10.062 1.966 -3.771
85 HB3 LEU 9 HB1 LEU 9 11.303 1.873 -2.479
86 HG LEU 9 HG LEU 9 8.563 3.010 -1.855
87 HD11 LEU 9 HD11 LEU 9 9.274 0.032 -2.197
88 HD12 LEU 9 HD12 LEU 9 7.960 0.951 -3.013
89 HD13 LEU 9 HD13 LEU 9 7.852 0.607 -1.246
90 HD21 LEU 9 HD21 LEU 9 10.942 2.542 -0.448
91 HD22 LEU 9 HD22 LEU 9 9.908 1.130 0.020
92 HD23 LEU 9 HD23 LEU 9 9.310 2.813 0.291
93 H ASP 10 HN ASP 10 12.038 3.245 -5.096
94 HA ASP 10 HA ASP 10 14.413 3.224 -3.615
95 HB2 ASP 10 HB2 ASP 10 13.404 3.037 -6.356
96 HB3 ASP 10 HB1 ASP 10 15.094 3.638 -6.249
97 H PHE 11 HN PHE 11 12.414 5.474 -5.368
98 HA PHE 11 HA PHE 11 14.519 7.419 -5.475
99 HB2 PHE 11 HB2 PHE 11 11.592 7.443 -6.153
100 HB3 PHE 11 HB1 PHE 11 12.756 8.788 -6.595
101 HD1 PHE 11 HD1 PHE 11 11.316 7.463 -8.720
102 HD2 PHE 11 HD2 PHE 11 14.833 6.250 -6.708
103 HE1 PHE 11 HE1 PHE 11 11.895 5.932 -10.489
104 HE2 PHE 11 HE2 PHE 11 15.342 4.775 -8.275
105 HZ PHE 11 HZ PHE 11 13.958 4.561 -10.368
106 H LEU 12 HN LEU 12 12.575 6.163 -3.346
107 HA LEU 12 HA LEU 12 11.991 8.591 -2.108
108 HB2 LEU 12 HB2 LEU 12 11.460 5.736 -1.727
109 HB3 LEU 12 HB1 LEU 12 11.050 6.919 -0.412
110 HG LEU 12 HG LEU 12 10.243 7.094 -3.263
111 HD11 LEU 12 HD11 LEU 12 7.975 6.492 -1.604
112 HD12 LEU 12 HD12 LEU 12 9.318 5.342 -1.208
113 HD13 LEU 12 HD13 LEU 12 8.741 5.493 -2.905
114 HD21 LEU 12 HD21 LEU 12 8.414 8.577 -1.767
115 HD22 LEU 12 HD22 LEU 12 9.832 9.221 -2.689
116 HD23 LEU 12 HD23 LEU 12 9.992 8.856 -0.928
117 H PHE 13 HN PHE 13 13.850 5.688 -1.860
118 HA PHE 13 HA PHE 13 15.265 6.921 0.413
119 HB2 PHE 13 HB2 PHE 13 14.499 4.018 0.123
120 HB3 PHE 13 HB1 PHE 13 15.198 4.802 1.613
121 HD1 PHE 13 HD1 PHE 13 12.614 4.015 -0.442
122 HD2 PHE 13 HD2 PHE 13 13.602 6.387 2.846
123 HE1 PHE 13 HE1 PHE 13 10.456 4.380 -0.188
124 HE2 PHE 13 HE2 PHE 13 11.221 6.748 3.255
125 HZ PHE 13 HZ PHE 13 9.542 5.715 1.748
126 H DLE 14 HN DLE 14 15.155 4.826 -2.433
127 HA DLE 14 HA DLE 14 18.004 4.544 -2.094
128 HB2 DLE 14 HB2 DLE 14 18.215 3.754 -4.390
129 HB3 DLE 14 HB1 DLE 14 16.443 4.069 -4.603
130 HG DLE 14 HG DLE 14 16.928 6.345 -3.715
131 HD11 DLE 14 HD11 DLE 14 19.051 7.017 -3.278
132 HD12 DLE 14 HD12 DLE 14 19.743 6.149 -4.708
133 HD13 DLE 14 HD13 DLE 14 19.359 5.233 -3.181
134 HD21 DLE 14 HD21 DLE 14 16.732 5.294 -6.238
135 HD22 DLE 14 HD22 DLE 14 18.261 6.261 -6.375
136 HD23 DLE 14 HD23 DLE 14 16.718 7.053 -5.843
137 H ARG 15 HN ARG 15 15.557 3.314 -1.115
138 HA ARG 15 HA ARG 15 15.297 1.380 -0.255
139 HB2 ARG 15 HB2 ARG 15 15.655 0.720 -3.181
140 HB3 ARG 15 HB1 ARG 15 15.037 -0.503 -1.996
141 HG2 ARG 15 HG2 ARG 15 13.814 2.273 -1.941
142 HG3 ARG 15 HG1 ARG 15 13.379 1.194 -3.331
143 HD2 ARG 15 HD2 ARG 15 13.392 0.012 -0.512
144 HD3 ARG 15 HD1 ARG 15 12.006 1.070 -1.006
145 HE ARG 15 HE ARG 15 12.375 -0.681 -3.163
146 HH11 ARG 15 HH11 ARG 15 11.764 -0.936 0.343
147 HH12 ARG 15 HH12 ARG 15 10.887 -2.427 0.242
148 HH21 ARG 15 HH21 ARG 15 11.178 -2.726 -3.289
149 HH22 ARG 15 HH22 ARG 15 10.548 -3.457 -1.850
150 H LYS 16 HN LYS 16 17.684 2.528 -0.326
151 HA LYS 16 HA LYS 16 19.697 0.462 -0.490
152 HB2 LYS 16 HB2 LYS 16 21.322 2.360 -0.450
153 HB3 LYS 16 HB1 LYS 16 20.144 2.509 -1.813
154 HG2 LYS 16 HG2 LYS 16 18.760 4.040 -0.507
155 HG3 LYS 16 HG1 LYS 16 19.850 3.892 0.911
156 HD2 LYS 16 HD2 LYS 16 21.600 5.105 -0.166
157 HD3 LYS 16 HD1 LYS 16 20.906 4.846 -1.804
158 HE2 LYS 16 HE2 LYS 16 18.995 6.370 -1.281
159 HE3 LYS 16 HE1 LYS 16 19.612 6.585 0.412
160 HZ1 LYS 16 HZ1 LYS 16 20.203 8.344 -1.241
161 HZ2 LYS 16 HZ2 LYS 16 21.231 7.224 -1.999
162 HZ3 LYS 16 HZ3 LYS 16 21.510 7.679 -0.386
163 H LYS 17 HN LYS 17 17.521 1.804 1.586
164 HA LYS 17 HA LYS 17 19.398 1.522 3.782
165 HB2 LYS 17 HB2 LYS 17 16.940 3.300 3.956
166 HB3 LYS 17 HB1 LYS 17 18.423 3.336 4.978
167 HG2 LYS 17 HG2 LYS 17 19.723 4.044 2.886
168 HG3 LYS 17 HG1 LYS 17 18.144 4.223 2.048
169 HD2 LYS 17 HD2 LYS 17 18.899 5.690 4.656
170 HD3 LYS 17 HD1 LYS 17 19.107 6.382 3.011
171 HE2 LYS 17 HE2 LYS 17 16.619 6.159 2.619
172 HE3 LYS 17 HE1 LYS 17 16.431 5.520 4.305
173 HZ1 LYS 17 HZ1 LYS 17 16.321 7.587 4.962
174 HZ2 LYS 17 HZ2 LYS 17 16.641 8.182 3.404
175 HZ3 LYS 17 HZ3 LYS 17 17.923 7.850 4.468
Start of MODEL 17
1 H1 GLU 1 HT1 GLU 1 7.708 -8.433 -10.427
2 H2 GLU 1 HT2 GLU 1 9.050 -9.098 -9.626
3 H3 GLU 1 HT3 GLU 1 8.800 -7.418 -9.613
4 HA GLU 1 HA GLU 1 6.485 -8.499 -8.639
5 HB2 GLU 1 HB2 GLU 1 9.014 -9.810 -7.494
6 HB3 GLU 1 HB1 GLU 1 7.453 -9.763 -6.598
7 HG2 GLU 1 HG2 GLU 1 6.326 -11.079 -8.369
8 HG3 GLU 1 HG1 GLU 1 7.812 -11.034 -9.396
9 H MET 2 HN MET 2 6.954 -5.968 -8.785
10 HA MET 2 HA MET 2 7.848 -5.171 -6.082
11 HB2 MET 2 HB2 MET 2 7.964 -3.325 -8.532
12 HB3 MET 2 HB1 MET 2 8.612 -2.950 -6.903
13 HG2 MET 2 HG2 MET 2 9.703 -5.045 -8.924
14 HG3 MET 2 HG1 MET 2 10.400 -3.435 -8.584
15 HE1 MET 2 HE1 MET 2 11.727 -3.439 -5.135
16 HE2 MET 2 HE2 MET 2 10.906 -2.591 -6.490
17 HE3 MET 2 HE3 MET 2 12.565 -3.240 -6.713
18 H ARG 3 HN ARG 3 7.223 -3.342 -5.432
19 HA ARG 3 HA ARG 3 4.742 -2.625 -6.529
20 HB2 ARG 3 HB2 ARG 3 5.737 -2.755 -3.795
21 HB3 ARG 3 HB1 ARG 3 4.864 -1.205 -4.224
22 HG2 ARG 3 HG2 ARG 3 3.068 -2.671 -3.742
23 HG3 ARG 3 HG1 ARG 3 3.275 -2.711 -5.549
24 HD2 ARG 3 HD2 ARG 3 4.444 -4.845 -5.455
25 HD3 ARG 3 HD1 ARG 3 4.440 -4.849 -3.634
26 HE ARG 3 HE ARG 3 2.111 -5.393 -3.674
27 HH11 ARG 3 HH11 ARG 3 3.390 -4.678 -6.931
28 HH12 ARG 3 HH12 ARG 3 1.984 -5.248 -7.770
29 HH21 ARG 3 HH21 ARG 3 0.209 -6.166 -4.822
30 HH22 ARG 3 HH22 ARG 3 0.149 -6.107 -6.552
31 H ILE 4 HN ILE 4 4.750 -1.208 -7.749
32 HA ILE 4 HA ILE 4 6.920 -0.071 -8.713
33 HB ILE 4 HB ILE 4 4.361 1.314 -8.800
34 HG12 ILE 4 HG12 ILE 4 3.525 -0.911 -8.888
35 HG13 ILE 4 HG11 ILE 4 3.775 -0.513 -10.634
36 HG21 ILE 4 HG21 ILE 4 6.618 0.708 -10.790
37 HG22 ILE 4 HG22 ILE 4 6.177 2.301 -10.056
38 HG23 ILE 4 HG23 ILE 4 5.068 1.515 -11.249
39 HD11 ILE 4 HD11 ILE 4 5.007 -2.654 -8.982
40 HD12 ILE 4 HD12 ILE 4 6.302 -1.635 -9.733
41 HD13 ILE 4 HD13 ILE 4 5.058 -2.434 -10.781
42 H SER 5 HN SER 5 5.578 0.473 -5.906
43 HA SER 5 HA SER 5 5.937 3.186 -5.765
44 HB2 SER 5 HB2 SER 5 5.204 1.062 -3.805
45 HB3 SER 5 HB1 SER 5 5.261 2.825 -3.352
46 HG SER 5 HG SER 5 3.484 3.199 -4.486
47 H ARG 6 HN ARG 6 7.152 0.264 -4.765
48 HA ARG 6 HA ARG 6 8.826 1.243 -2.733
49 HB2 ARG 6 HB2 ARG 6 9.184 -1.003 -2.373
50 HB3 ARG 6 HB1 ARG 6 7.642 -1.066 -3.339
51 HG2 ARG 6 HG2 ARG 6 9.031 -1.103 -5.383
52 HG3 ARG 6 HG1 ARG 6 10.467 -1.468 -4.350
53 HD2 ARG 6 HD2 ARG 6 7.828 -2.970 -4.070
54 HD3 ARG 6 HD1 ARG 6 9.130 -3.523 -5.222
55 HE ARG 6 HE ARG 6 10.231 -3.012 -2.579
56 HH11 ARG 6 HH11 ARG 6 8.264 -5.318 -4.459
57 HH12 ARG 6 HH12 ARG 6 8.696 -6.698 -3.510
58 HH21 ARG 6 HH21 ARG 6 10.817 -4.900 -1.290
59 HH22 ARG 6 HH22 ARG 6 10.167 -6.456 -1.680
60 H ILE 7 HN ILE 7 8.637 1.158 -6.044
61 HA ILE 7 HA ILE 7 11.388 0.976 -6.518
62 HB ILE 7 HB ILE 7 8.960 1.411 -8.161
63 HG12 ILE 7 HG12 ILE 7 10.893 -0.913 -8.114
64 HG13 ILE 7 HG11 ILE 7 9.565 -0.723 -6.914
65 HG21 ILE 7 HG21 ILE 7 10.740 2.602 -9.328
66 HG22 ILE 7 HG22 ILE 7 10.559 1.003 -10.146
67 HG23 ILE 7 HG23 ILE 7 11.922 1.280 -8.997
68 HD11 ILE 7 HD11 ILE 7 9.329 -1.837 -9.535
69 HD12 ILE 7 HD12 ILE 7 8.544 -0.206 -9.611
70 HD13 ILE 7 HD13 ILE 7 8.007 -1.406 -8.376
71 H ILE 8 HN ILE 8 8.918 3.190 -6.069
72 HA ILE 8 HA ILE 8 10.392 5.359 -7.257
73 HB ILE 8 HB ILE 8 8.343 5.493 -5.096
74 HG12 ILE 8 HG12 ILE 8 7.354 3.982 -6.500
75 HG13 ILE 8 HG11 ILE 8 6.605 5.543 -6.999
76 HG21 ILE 8 HG21 ILE 8 8.351 7.409 -7.463
77 HG22 ILE 8 HG22 ILE 8 9.795 7.478 -6.379
78 HG23 ILE 8 HG23 ILE 8 8.143 7.753 -5.704
79 HD11 ILE 8 HD11 ILE 8 8.427 5.582 -8.876
80 HD12 ILE 8 HD12 ILE 8 7.117 4.331 -9.020
81 HD13 ILE 8 HD13 ILE 8 8.753 3.865 -8.404
82 H LEU 9 HN LEU 9 9.610 3.913 -4.375
83 HA LEU 9 HA LEU 9 10.909 5.455 -2.601
84 HB2 LEU 9 HB2 LEU 9 9.825 2.875 -3.029
85 HB3 LEU 9 HB1 LEU 9 11.183 2.857 -1.852
86 HG LEU 9 HG LEU 9 9.090 4.938 -1.383
87 HD11 LEU 9 HD11 LEU 9 7.671 3.046 -2.162
88 HD12 LEU 9 HD12 LEU 9 7.469 3.310 -0.392
89 HD13 LEU 9 HD13 LEU 9 8.479 1.941 -0.996
90 HD21 LEU 9 HD21 LEU 9 9.870 4.736 0.772
91 HD22 LEU 9 HD22 LEU 9 11.253 3.880 -0.033
92 HD23 LEU 9 HD23 LEU 9 9.898 2.929 0.704
93 H ASP 10 HN ASP 10 11.912 3.054 -4.758
94 HA ASP 10 HA ASP 10 14.337 2.802 -3.414
95 HB2 ASP 10 HB2 ASP 10 12.978 2.105 -5.913
96 HB3 ASP 10 HB1 ASP 10 14.754 2.222 -6.108
97 H PHE 11 HN PHE 11 12.837 4.887 -5.756
98 HA PHE 11 HA PHE 11 15.343 6.065 -6.516
99 HB2 PHE 11 HB2 PHE 11 12.464 6.624 -7.180
100 HB3 PHE 11 HB1 PHE 11 13.883 7.378 -8.058
101 HD1 PHE 11 HD1 PHE 11 11.930 5.852 -9.568
102 HD2 PHE 11 HD2 PHE 11 15.239 4.527 -7.325
103 HE1 PHE 11 HE1 PHE 11 11.934 3.720 -10.693
104 HE2 PHE 11 HE2 PHE 11 15.224 2.524 -8.270
105 HZ PHE 11 HZ PHE 11 13.611 1.981 -10.129
106 H LEU 12 HN LEU 12 13.295 6.157 -4.117
107 HA LEU 12 HA LEU 12 13.371 8.924 -3.844
108 HB2 LEU 12 HB2 LEU 12 12.268 6.591 -2.472
109 HB3 LEU 12 HB1 LEU 12 12.227 8.206 -1.645
110 HG LEU 12 HG LEU 12 11.230 7.569 -4.373
111 HD11 LEU 12 HD11 LEU 12 10.119 6.934 -1.821
112 HD12 LEU 12 HD12 LEU 12 9.440 6.617 -3.455
113 HD13 LEU 12 HD13 LEU 12 9.045 8.164 -2.599
114 HD21 LEU 12 HD21 LEU 12 9.912 9.871 -3.578
115 HD22 LEU 12 HD22 LEU 12 11.400 9.796 -4.605
116 HD23 LEU 12 HD23 LEU 12 11.546 10.058 -2.824
117 H PHE 13 HN PHE 13 14.537 5.989 -2.520
118 HA PHE 13 HA PHE 13 16.270 7.579 -0.756
119 HB2 PHE 13 HB2 PHE 13 14.960 4.941 -0.146
120 HB3 PHE 13 HB1 PHE 13 15.807 6.024 1.054
121 HD1 PHE 13 HD1 PHE 13 13.057 5.039 -0.661
122 HD2 PHE 13 HD2 PHE 13 14.580 8.257 1.526
123 HE1 PHE 13 HE1 PHE 13 10.992 5.868 -0.624
124 HE2 PHE 13 HE2 PHE 13 12.322 9.168 1.696
125 HZ PHE 13 HZ PHE 13 10.427 7.971 0.637
126 H DLE 14 HN DLE 14 15.657 4.772 -2.759
127 HA DLE 14 HA DLE 14 18.309 4.015 -2.074
128 HB2 DLE 14 HB2 DLE 14 17.716 4.714 -4.604
129 HB3 DLE 14 HB1 DLE 14 19.064 3.626 -4.120
130 HG DLE 14 HG DLE 14 16.361 2.417 -4.511
131 HD11 DLE 14 HD11 DLE 14 18.092 3.226 -6.897
132 HD12 DLE 14 HD12 DLE 14 16.708 4.216 -6.280
133 HD13 DLE 14 HD13 DLE 14 16.430 2.537 -6.887
134 HD21 DLE 14 HD21 DLE 14 18.979 1.489 -4.111
135 HD22 DLE 14 HD22 DLE 14 18.676 1.189 -5.874
136 HD23 DLE 14 HD23 DLE 14 17.549 0.522 -4.622
137 H ARG 15 HN ARG 15 15.539 3.590 -1.167
138 HA ARG 15 HA ARG 15 14.864 2.006 0.231
139 HB2 ARG 15 HB2 ARG 15 15.076 0.601 -2.423
140 HB3 ARG 15 HB1 ARG 15 14.385 -0.237 -0.981
141 HG2 ARG 15 HG2 ARG 15 13.459 2.585 -1.584
142 HG3 ARG 15 HG1 ARG 15 12.836 1.242 -2.631
143 HD2 ARG 15 HD2 ARG 15 12.835 1.033 0.440
144 HD3 ARG 15 HD1 ARG 15 11.462 1.809 -0.462
145 HE ARG 15 HE ARG 15 11.960 -0.626 -1.780
146 HH11 ARG 15 HH11 ARG 15 11.087 0.502 1.486
147 HH12 ARG 15 HH12 ARG 15 10.183 -0.913 1.909
148 HH21 ARG 15 HH21 ARG 15 10.727 -2.564 -1.198
149 HH22 ARG 15 HH22 ARG 15 9.974 -2.685 0.356
150 H LYS 16 HN LYS 16 17.419 2.637 0.038
151 HA LYS 16 HA LYS 16 18.918 0.237 0.731
152 HB2 LYS 16 HB2 LYS 16 20.931 1.400 -0.013
153 HB3 LYS 16 HB1 LYS 16 19.697 1.596 -1.313
154 HG2 LYS 16 HG2 LYS 16 19.070 3.835 -0.311
155 HG3 LYS 16 HG1 LYS 16 20.444 3.664 0.836
156 HD2 LYS 16 HD2 LYS 16 22.042 4.050 -0.802
157 HD3 LYS 16 HD1 LYS 16 21.072 3.269 -2.099
158 HE2 LYS 16 HE2 LYS 16 19.652 5.265 -2.359
159 HE3 LYS 16 HE1 LYS 16 20.363 6.026 -0.876
160 HZ1 LYS 16 HZ1 LYS 16 22.235 6.568 -1.964
161 HZ2 LYS 16 HZ2 LYS 16 21.194 6.547 -3.305
162 HZ3 LYS 16 HZ3 LYS 16 22.210 5.222 -2.999
163 H LYS 17 HN LYS 17 17.077 2.550 2.052
164 HA LYS 17 HA LYS 17 18.913 2.775 4.282
165 HB2 LYS 17 HB2 LYS 17 17.154 5.015 3.158
166 HB3 LYS 17 HB1 LYS 17 18.066 5.112 4.710
167 HG2 LYS 17 HG2 LYS 17 20.208 4.755 3.461
168 HG3 LYS 17 HG1 LYS 17 19.284 4.683 1.922
169 HD2 LYS 17 HD2 LYS 17 18.479 7.026 2.289
170 HD3 LYS 17 HD1 LYS 17 19.383 7.100 3.841
171 HE2 LYS 17 HE2 LYS 17 21.548 6.800 2.603
172 HE3 LYS 17 HE1 LYS 17 20.637 6.713 1.038
173 HZ1 LYS 17 HZ1 LYS 17 20.323 8.891 1.036
174 HZ2 LYS 17 HZ2 LYS 17 21.622 8.940 2.129
175 HZ3 LYS 17 HZ3 LYS 17 20.025 9.001 2.704
Start of MODEL 18
1 H1 GLU 1 HT1 GLU 1 7.305 -9.201 -4.472
2 H2 GLU 1 HT2 GLU 1 8.170 -7.817 -4.004
3 H3 GLU 1 HT3 GLU 1 7.304 -7.824 -5.466
4 HA GLU 1 HA GLU 1 5.404 -8.464 -3.696
5 HB2 GLU 1 HB2 GLU 1 6.981 -7.981 -1.804
6 HB3 GLU 1 HB1 GLU 1 7.255 -6.335 -2.470
7 HG2 GLU 1 HG2 GLU 1 5.670 -6.188 -0.584
8 HG3 GLU 1 HG1 GLU 1 4.783 -5.816 -2.112
9 H MET 2 HN MET 2 7.313 -5.648 -4.940
10 HA MET 2 HA MET 2 4.824 -4.702 -6.170
11 HB2 MET 2 HB2 MET 2 6.510 -3.141 -4.208
12 HB3 MET 2 HB1 MET 2 6.081 -2.290 -5.746
13 HG2 MET 2 HG2 MET 2 4.149 -1.733 -4.750
14 HG3 MET 2 HG1 MET 2 3.642 -3.429 -5.011
15 HE1 MET 2 HE1 MET 2 4.452 -0.598 -2.681
16 HE2 MET 2 HE2 MET 2 6.063 -1.397 -2.637
17 HE3 MET 2 HE3 MET 2 5.056 -1.321 -1.150
18 H ARG 3 HN ARG 3 5.265 -2.918 -7.425
19 HA ARG 3 HA ARG 3 7.380 -3.485 -9.221
20 HB2 ARG 3 HB2 ARG 3 4.531 -2.756 -9.353
21 HB3 ARG 3 HB1 ARG 3 5.528 -1.712 -10.399
22 HG2 ARG 3 HG2 ARG 3 6.416 -3.484 -11.569
23 HG3 ARG 3 HG1 ARG 3 5.817 -4.700 -10.368
24 HD2 ARG 3 HD2 ARG 3 3.470 -4.228 -11.017
25 HD3 ARG 3 HD1 ARG 3 4.026 -2.916 -12.144
26 HE ARG 3 HE ARG 3 5.402 -5.283 -12.914
27 HH11 ARG 3 HH11 ARG 3 2.065 -4.074 -12.623
28 HH12 ARG 3 HH12 ARG 3 1.438 -5.037 -13.918
29 HH21 ARG 3 HH21 ARG 3 4.551 -6.595 -14.676
30 HH22 ARG 3 HH22 ARG 3 2.876 -6.496 -15.104
31 H ILE 4 HN ILE 4 6.913 -1.041 -10.442
32 HA ILE 4 HA ILE 4 8.756 0.524 -9.925
33 HB ILE 4 HB ILE 4 6.928 2.402 -10.249
34 HG12 ILE 4 HG12 ILE 4 4.923 1.504 -11.322
35 HG13 ILE 4 HG11 ILE 4 5.562 -0.168 -11.247
36 HG21 ILE 4 HG21 ILE 4 7.132 1.882 -12.729
37 HG22 ILE 4 HG22 ILE 4 7.860 0.287 -12.297
38 HG23 ILE 4 HG23 ILE 4 8.716 1.818 -11.865
39 HD11 ILE 4 HD11 ILE 4 3.749 0.513 -9.469
40 HD12 ILE 4 HD12 ILE 4 5.061 1.473 -8.693
41 HD13 ILE 4 HD13 ILE 4 5.225 -0.324 -8.831
42 H SER 5 HN SER 5 6.380 -0.029 -7.651
43 HA SER 5 HA SER 5 6.220 2.323 -6.288
44 HB2 SER 5 HB2 SER 5 6.201 -0.521 -5.397
45 HB3 SER 5 HB1 SER 5 5.697 0.853 -4.329
46 HG SER 5 HG SER 5 3.937 1.176 -5.552
47 H ARG 6 HN ARG 6 8.203 -0.390 -6.375
48 HA ARG 6 HA ARG 6 9.668 0.028 -4.033
49 HB2 ARG 6 HB2 ARG 6 10.815 -1.918 -4.806
50 HB3 ARG 6 HB1 ARG 6 9.093 -2.096 -5.359
51 HG2 ARG 6 HG2 ARG 6 9.828 -0.817 -7.453
52 HG3 ARG 6 HG1 ARG 6 11.519 -1.285 -6.969
53 HD2 ARG 6 HD2 ARG 6 9.166 -3.219 -7.219
54 HD3 ARG 6 HD1 ARG 6 10.408 -2.935 -8.525
55 HE ARG 6 HE ARG 6 11.713 -3.527 -5.999
56 HH11 ARG 6 HH11 ARG 6 9.806 -5.011 -8.619
57 HH12 ARG 6 HH12 ARG 6 10.500 -6.587 -8.444
58 HH21 ARG 6 HH21 ARG 6 12.655 -5.677 -5.758
59 HH22 ARG 6 HH22 ARG 6 12.146 -6.972 -6.788
60 H ILE 7 HN ILE 7 9.467 1.194 -7.205
61 HA ILE 7 HA ILE 7 12.191 1.891 -7.258
62 HB ILE 7 HB ILE 7 9.977 2.019 -9.221
63 HG12 ILE 7 HG12 ILE 7 12.614 0.563 -9.470
64 HG13 ILE 7 HG11 ILE 7 11.445 0.014 -8.222
65 HG21 ILE 7 HG21 ILE 7 12.867 3.071 -9.432
66 HG22 ILE 7 HG22 ILE 7 11.340 4.015 -9.627
67 HG23 ILE 7 HG23 ILE 7 11.799 2.774 -10.856
68 HD11 ILE 7 HD11 ILE 7 10.302 0.481 -10.967
69 HD12 ILE 7 HD12 ILE 7 9.945 -0.802 -9.737
70 HD13 ILE 7 HD13 ILE 7 11.421 -0.930 -10.788
71 H ILE 8 HN ILE 8 9.197 3.079 -6.529
72 HA ILE 8 HA ILE 8 10.009 5.830 -6.825
73 HB ILE 8 HB ILE 8 7.981 4.737 -4.937
74 HG12 ILE 8 HG12 ILE 8 7.378 3.602 -6.816
75 HG13 ILE 8 HG11 ILE 8 6.301 5.039 -6.887
76 HG21 ILE 8 HG21 ILE 8 7.216 6.944 -4.783
77 HG22 ILE 8 HG22 ILE 8 7.470 7.266 -6.540
78 HG23 ILE 8 HG23 ILE 8 8.868 7.333 -5.400
79 HD11 ILE 8 HD11 ILE 8 7.178 4.619 -9.127
80 HD12 ILE 8 HD12 ILE 8 8.867 4.487 -8.499
81 HD13 ILE 8 HD13 ILE 8 8.022 6.089 -8.495
82 H LEU 9 HN LEU 9 9.662 3.359 -4.669
83 HA LEU 9 HA LEU 9 10.430 4.487 -2.349
84 HB2 LEU 9 HB2 LEU 9 10.172 2.013 -3.738
85 HB3 LEU 9 HB1 LEU 9 11.397 1.958 -2.425
86 HG LEU 9 HG LEU 9 8.601 3.009 -1.877
87 HD11 LEU 9 HD11 LEU 9 9.461 0.064 -2.140
88 HD12 LEU 9 HD12 LEU 9 8.094 0.897 -2.963
89 HD13 LEU 9 HD13 LEU 9 8.017 0.581 -1.189
90 HD21 LEU 9 HD21 LEU 9 9.332 2.944 0.274
91 HD22 LEU 9 HD22 LEU 9 10.983 2.669 -0.426
92 HD23 LEU 9 HD23 LEU 9 9.967 1.262 0.091
93 H ASP 10 HN ASP 10 12.117 3.347 -5.056
94 HA ASP 10 HA ASP 10 14.483 3.433 -3.559
95 HB2 ASP 10 HB2 ASP 10 13.492 3.103 -6.279
96 HB3 ASP 10 HB1 ASP 10 15.144 3.810 -6.215
97 H PHE 11 HN PHE 11 12.412 5.589 -5.315
98 HA PHE 11 HA PHE 11 14.461 7.590 -5.444
99 HB2 PHE 11 HB2 PHE 11 11.535 7.531 -6.121
100 HB3 PHE 11 HB1 PHE 11 12.660 8.904 -6.571
101 HD1 PHE 11 HD1 PHE 11 11.260 7.529 -8.691
102 HD2 PHE 11 HD2 PHE 11 14.807 6.422 -6.670
103 HE1 PHE 11 HE1 PHE 11 11.883 6.004 -10.452
104 HE2 PHE 11 HE2 PHE 11 15.354 4.951 -8.226
105 HZ PHE 11 HZ PHE 11 13.980 4.688 -10.318
106 H LEU 12 HN LEU 12 12.564 6.280 -3.312
107 HA LEU 12 HA LEU 12 11.924 8.690 -2.065
108 HB2 LEU 12 HB2 LEU 12 11.466 5.822 -1.678
109 HB3 LEU 12 HB1 LEU 12 11.031 6.998 -0.368
110 HG LEU 12 HG LEU 12 10.206 7.141 -3.216
111 HD11 LEU 12 HD11 LEU 12 8.741 5.506 -2.850
112 HD12 LEU 12 HD12 LEU 12 7.971 6.472 -1.524
113 HD13 LEU 12 HD13 LEU 12 9.352 5.354 -1.166
114 HD21 LEU 12 HD21 LEU 12 9.918 8.902 -0.885
115 HD22 LEU 12 HD22 LEU 12 8.341 8.571 -1.711
116 HD23 LEU 12 HD23 LEU 12 9.732 9.255 -2.644
117 H PHE 13 HN PHE 13 13.856 5.830 -1.849
118 HA PHE 13 HA PHE 13 15.283 7.094 0.396
119 HB2 PHE 13 HB2 PHE 13 14.559 4.180 0.142
120 HB3 PHE 13 HB1 PHE 13 15.276 4.984 1.613
121 HD1 PHE 13 HD1 PHE 13 12.669 4.182 -0.408
122 HD2 PHE 13 HD2 PHE 13 13.669 6.512 2.902
123 HE1 PHE 13 HE1 PHE 13 10.516 4.481 -0.110
124 HE2 PHE 13 HE2 PHE 13 11.288 6.814 3.360
125 HZ PHE 13 HZ PHE 13 9.605 5.767 1.864
126 H DLE 14 HN DLE 14 15.158 4.944 -2.416
127 HA DLE 14 HA DLE 14 18.016 4.708 -2.100
128 HB2 DLE 14 HB2 DLE 14 18.223 3.944 -4.415
129 HB3 DLE 14 HB1 DLE 14 16.456 4.281 -4.621
130 HG DLE 14 HG DLE 14 16.972 6.524 -3.660
131 HD11 DLE 14 HD11 DLE 14 19.384 5.383 -3.175
132 HD12 DLE 14 HD12 DLE 14 19.117 7.178 -3.269
133 HD13 DLE 14 HD13 DLE 14 19.775 6.289 -4.702
134 HD21 DLE 14 HD21 DLE 14 16.918 5.485 -6.283
135 HD22 DLE 14 HD22 DLE 14 18.240 6.724 -6.282
136 HD23 DLE 14 HD23 DLE 14 16.564 7.170 -5.752
137 H ARG 15 HN ARG 15 15.626 3.427 -1.082
138 HA ARG 15 HA ARG 15 15.468 1.486 -0.222
139 HB2 ARG 15 HB2 ARG 15 15.605 0.844 -3.172
140 HB3 ARG 15 HB1 ARG 15 15.036 -0.364 -1.942
141 HG2 ARG 15 HG2 ARG 15 13.922 2.492 -2.023
142 HG3 ARG 15 HG1 ARG 15 13.234 1.195 -3.082
143 HD2 ARG 15 HD2 ARG 15 11.929 0.738 -1.188
144 HD3 ARG 15 HD1 ARG 15 13.421 -0.128 -0.631
145 HE ARG 15 HE ARG 15 13.465 2.712 0.058
146 HH11 ARG 15 HH11 ARG 15 12.252 -0.527 0.917
147 HH12 ARG 15 HH12 ARG 15 12.098 -0.191 2.608
148 HH21 ARG 15 HH21 ARG 15 13.249 3.170 2.364
149 HH22 ARG 15 HH22 ARG 15 12.674 1.945 3.444
150 H LYS 16 HN LYS 16 17.763 2.625 -0.352
151 HA LYS 16 HA LYS 16 19.824 0.614 -0.655
152 HB2 LYS 16 HB2 LYS 16 21.408 2.546 -0.611
153 HB3 LYS 16 HB1 LYS 16 20.185 2.709 -1.931
154 HG2 LYS 16 HG2 LYS 16 18.817 4.187 -0.551
155 HG3 LYS 16 HG1 LYS 16 19.935 4.000 0.839
156 HD2 LYS 16 HD2 LYS 16 21.648 5.276 -0.211
157 HD3 LYS 16 HD1 LYS 16 20.944 5.058 -1.852
158 HE2 LYS 16 HE2 LYS 16 19.026 6.546 -1.281
159 HE3 LYS 16 HE1 LYS 16 19.629 6.702 0.423
160 HZ1 LYS 16 HZ1 LYS 16 21.318 7.425 -1.903
161 HZ2 LYS 16 HZ2 LYS 16 21.466 7.901 -0.280
162 HZ3 LYS 16 HZ3 LYS 16 20.198 8.510 -1.232
163 H LYS 17 HN LYS 17 17.681 1.865 1.524
164 HA LYS 17 HA LYS 17 19.614 1.482 3.652
165 HB2 LYS 17 HB2 LYS 17 17.253 3.409 3.829
166 HB3 LYS 17 HB1 LYS 17 18.632 3.255 4.979
167 HG2 LYS 17 HG2 LYS 17 20.112 3.858 2.858
168 HG3 LYS 17 HG1 LYS 17 18.567 4.482 2.186
169 HD2 LYS 17 HD2 LYS 17 19.709 5.332 4.922
170 HD3 LYS 17 HD1 LYS 17 20.028 6.213 3.390
171 HE2 LYS 17 HE2 LYS 17 17.185 5.682 4.488
172 HE3 LYS 17 HE1 LYS 17 18.131 7.196 4.801
173 HZ1 LYS 17 HZ1 LYS 17 16.493 6.968 2.802
174 HZ2 LYS 17 HZ2 LYS 17 17.837 6.272 2.031
175 HZ3 LYS 17 HZ3 LYS 17 17.941 7.844 2.666
Start of MODEL 19
1 H1 GLU 1 HT1 GLU 1 6.111 -9.670 -8.275
2 H2 GLU 1 HT2 GLU 1 6.259 -8.440 -9.437
3 H3 GLU 1 HT3 GLU 1 5.827 -8.053 -7.840
4 HA GLU 1 HA GLU 1 8.129 -9.384 -7.500
5 HB2 GLU 1 HB2 GLU 1 8.257 -7.664 -10.038
6 HB3 GLU 1 HB1 GLU 1 9.723 -8.125 -9.101
7 HG2 GLU 1 HG2 GLU 1 9.295 -10.536 -9.507
8 HG3 GLU 1 HG1 GLU 1 7.739 -10.149 -10.342
9 H MET 2 HN MET 2 6.787 -6.161 -8.464
10 HA MET 2 HA MET 2 7.714 -5.127 -5.919
11 HB2 MET 2 HB2 MET 2 8.231 -2.811 -7.309
12 HB3 MET 2 HB1 MET 2 9.559 -4.019 -6.926
13 HG2 MET 2 HG2 MET 2 8.607 -5.111 -9.301
14 HG3 MET 2 HG1 MET 2 8.282 -3.376 -9.566
15 HE1 MET 2 HE1 MET 2 12.296 -5.544 -8.814
16 HE2 MET 2 HE2 MET 2 10.921 -6.238 -9.741
17 HE3 MET 2 HE3 MET 2 10.714 -5.824 -8.005
18 H ARG 3 HN ARG 3 7.086 -3.300 -5.381
19 HA ARG 3 HA ARG 3 4.707 -2.579 -6.666
20 HB2 ARG 3 HB2 ARG 3 5.545 -2.621 -3.874
21 HB3 ARG 3 HB1 ARG 3 4.711 -1.082 -4.405
22 HG2 ARG 3 HG2 ARG 3 2.887 -2.523 -3.950
23 HG3 ARG 3 HG1 ARG 3 3.167 -2.611 -5.744
24 HD2 ARG 3 HD2 ARG 3 4.101 -4.775 -5.648
25 HD3 ARG 3 HD1 ARG 3 4.431 -4.690 -3.855
26 HE ARG 3 HE ARG 3 1.605 -4.408 -4.239
27 HH11 ARG 3 HH11 ARG 3 4.225 -6.766 -4.737
28 HH12 ARG 3 HH12 ARG 3 3.223 -8.161 -4.514
29 HH21 ARG 3 HH21 ARG 3 0.239 -6.303 -3.935
30 HH22 ARG 3 HH22 ARG 3 0.917 -7.892 -4.050
31 H ILE 4 HN ILE 4 4.727 -1.135 -7.854
32 HA ILE 4 HA ILE 4 6.912 -0.028 -8.794
33 HB ILE 4 HB ILE 4 4.381 1.402 -8.906
34 HG12 ILE 4 HG12 ILE 4 3.496 -0.803 -9.004
35 HG13 ILE 4 HG11 ILE 4 3.778 -0.415 -10.746
36 HG21 ILE 4 HG21 ILE 4 6.231 2.347 -10.145
37 HG22 ILE 4 HG22 ILE 4 5.109 1.591 -11.346
38 HG23 ILE 4 HG23 ILE 4 6.636 0.747 -10.881
39 HD11 ILE 4 HD11 ILE 4 6.267 -1.578 -9.812
40 HD12 ILE 4 HD12 ILE 4 5.024 -2.361 -10.871
41 HD13 ILE 4 HD13 ILE 4 4.950 -2.576 -9.071
42 H SER 5 HN SER 5 5.587 0.518 -5.997
43 HA SER 5 HA SER 5 5.943 3.228 -5.843
44 HB2 SER 5 HB2 SER 5 5.193 1.100 -3.897
45 HB3 SER 5 HB1 SER 5 5.248 2.862 -3.438
46 HG SER 5 HG SER 5 3.496 3.251 -4.625
47 H ARG 6 HN ARG 6 7.148 0.307 -4.866
48 HA ARG 6 HA ARG 6 8.798 1.274 -2.809
49 HB2 ARG 6 HB2 ARG 6 9.137 -0.973 -2.457
50 HB3 ARG 6 HB1 ARG 6 7.615 -1.030 -3.457
51 HG2 ARG 6 HG2 ARG 6 9.008 -1.086 -5.476
52 HG3 ARG 6 HG1 ARG 6 10.461 -1.381 -4.442
53 HD2 ARG 6 HD2 ARG 6 7.882 -2.967 -4.109
54 HD3 ARG 6 HD1 ARG 6 9.190 -3.490 -5.259
55 HE ARG 6 HE ARG 6 10.316 -2.897 -2.656
56 HH11 ARG 6 HH11 ARG 6 8.384 -5.304 -4.439
57 HH12 ARG 6 HH12 ARG 6 8.875 -6.647 -3.465
58 HH21 ARG 6 HH21 ARG 6 10.985 -4.732 -1.335
59 HH22 ARG 6 HH22 ARG 6 10.374 -6.316 -1.671
60 H ILE 7 HN ILE 7 8.635 1.207 -6.120
61 HA ILE 7 HA ILE 7 11.387 1.014 -6.577
62 HB ILE 7 HB ILE 7 8.979 1.502 -8.235
63 HG12 ILE 7 HG12 ILE 7 10.862 -0.863 -8.175
64 HG13 ILE 7 HG11 ILE 7 9.494 -0.660 -7.020
65 HG21 ILE 7 HG21 ILE 7 10.780 2.666 -9.380
66 HG22 ILE 7 HG22 ILE 7 10.602 1.069 -10.202
67 HG23 ILE 7 HG23 ILE 7 11.948 1.334 -9.031
68 HD11 ILE 7 HD11 ILE 7 9.370 -1.608 -9.765
69 HD12 ILE 7 HD12 ILE 7 8.486 -0.036 -9.649
70 HD13 ILE 7 HD13 ILE 7 8.034 -1.401 -8.560
71 H ILE 8 HN ILE 8 8.925 3.241 -6.126
72 HA ILE 8 HA ILE 8 10.417 5.413 -7.284
73 HB ILE 8 HB ILE 8 8.349 5.535 -5.143
74 HG12 ILE 8 HG12 ILE 8 7.367 4.030 -6.561
75 HG13 ILE 8 HG11 ILE 8 6.625 5.594 -7.059
76 HG21 ILE 8 HG21 ILE 8 8.145 7.797 -5.747
77 HG22 ILE 8 HG22 ILE 8 8.386 7.460 -7.504
78 HG23 ILE 8 HG23 ILE 8 9.810 7.527 -6.393
79 HD11 ILE 8 HD11 ILE 8 8.774 3.911 -8.455
80 HD12 ILE 8 HD12 ILE 8 8.469 5.638 -8.918
81 HD13 ILE 8 HD13 ILE 8 7.152 4.399 -9.084
82 H LEU 9 HN LEU 9 9.605 3.948 -4.420
83 HA LEU 9 HA LEU 9 10.895 5.475 -2.626
84 HB2 LEU 9 HB2 LEU 9 9.801 2.901 -3.077
85 HB3 LEU 9 HB1 LEU 9 11.145 2.872 -1.884
86 HG LEU 9 HG LEU 9 9.051 4.961 -1.437
87 HD11 LEU 9 HD11 LEU 9 8.437 1.960 -1.070
88 HD12 LEU 9 HD12 LEU 9 7.633 3.078 -2.229
89 HD13 LEU 9 HD13 LEU 9 7.424 3.322 -0.455
90 HD21 LEU 9 HD21 LEU 9 11.198 3.899 -0.061
91 HD22 LEU 9 HD22 LEU 9 9.832 2.950 0.661
92 HD23 LEU 9 HD23 LEU 9 9.810 4.756 0.728
93 H ASP 10 HN ASP 10 11.899 3.083 -4.790
94 HA ASP 10 HA ASP 10 14.309 2.803 -3.425
95 HB2 ASP 10 HB2 ASP 10 12.968 2.126 -5.938
96 HB3 ASP 10 HB1 ASP 10 14.745 2.237 -6.121
97 H PHE 11 HN PHE 11 12.845 4.915 -5.766
98 HA PHE 11 HA PHE 11 15.368 6.079 -6.497
99 HB2 PHE 11 HB2 PHE 11 12.499 6.665 -7.180
100 HB3 PHE 11 HB1 PHE 11 13.930 7.417 -8.039
101 HD1 PHE 11 HD1 PHE 11 11.983 5.921 -9.583
102 HD2 PHE 11 HD2 PHE 11 15.254 4.547 -7.316
103 HE1 PHE 11 HE1 PHE 11 11.981 3.799 -10.728
104 HE2 PHE 11 HE2 PHE 11 15.233 2.552 -8.278
105 HZ PHE 11 HZ PHE 11 13.637 2.040 -10.160
106 H LEU 12 HN LEU 12 13.299 6.170 -4.113
107 HA LEU 12 HA LEU 12 13.396 8.933 -3.819
108 HB2 LEU 12 HB2 LEU 12 12.262 6.600 -2.476
109 HB3 LEU 12 HB1 LEU 12 12.227 8.209 -1.637
110 HG LEU 12 HG LEU 12 11.251 7.603 -4.379
111 HD11 LEU 12 HD11 LEU 12 9.052 8.198 -2.625
112 HD12 LEU 12 HD12 LEU 12 10.110 6.954 -1.843
113 HD13 LEU 12 HD13 LEU 12 9.445 6.656 -3.487
114 HD21 LEU 12 HD21 LEU 12 11.576 10.075 -2.809
115 HD22 LEU 12 HD22 LEU 12 9.942 9.907 -3.570
116 HD23 LEU 12 HD23 LEU 12 11.436 9.830 -4.590
117 H PHE 13 HN PHE 13 14.529 5.979 -2.509
118 HA PHE 13 HA PHE 13 16.260 7.540 -0.719
119 HB2 PHE 13 HB2 PHE 13 14.921 4.909 -0.140
120 HB3 PHE 13 HB1 PHE 13 15.772 5.973 1.074
121 HD1 PHE 13 HD1 PHE 13 13.025 5.033 -0.670
122 HD2 PHE 13 HD2 PHE 13 14.562 8.212 1.563
123 HE1 PHE 13 HE1 PHE 13 10.968 5.884 -0.643
124 HE2 PHE 13 HE2 PHE 13 12.313 9.146 1.724
125 HZ PHE 13 HZ PHE 13 10.414 7.979 0.636
126 H DLE 14 HN DLE 14 15.640 4.753 -2.745
127 HA DLE 14 HA DLE 14 18.279 3.970 -2.046
128 HB2 DLE 14 HB2 DLE 14 17.712 4.695 -4.574
129 HB3 DLE 14 HB1 DLE 14 19.049 3.592 -4.089
130 HG DLE 14 HG DLE 14 16.342 2.405 -4.511
131 HD11 DLE 14 HD11 DLE 14 16.714 4.218 -6.263
132 HD12 DLE 14 HD12 DLE 14 16.429 2.544 -6.886
133 HD13 DLE 14 HD13 DLE 14 18.095 3.224 -6.878
134 HD21 DLE 14 HD21 DLE 14 18.662 1.175 -5.865
135 HD22 DLE 14 HD22 DLE 14 17.518 0.503 -4.632
136 HD23 DLE 14 HD23 DLE 14 18.950 1.455 -4.099
137 H ARG 15 HN ARG 15 15.503 3.560 -1.160
138 HA ARG 15 HA ARG 15 14.810 1.970 0.222
139 HB2 ARG 15 HB2 ARG 15 15.017 0.583 -2.441
140 HB3 ARG 15 HB1 ARG 15 14.309 -0.255 -1.009
141 HG2 ARG 15 HG2 ARG 15 13.425 2.582 -1.607
142 HG3 ARG 15 HG1 ARG 15 12.782 1.248 -2.652
143 HD2 ARG 15 HD2 ARG 15 12.781 1.023 0.415
144 HD3 ARG 15 HD1 ARG 15 11.429 1.851 -0.470
145 HE ARG 15 HE ARG 15 11.841 -0.584 -1.816
146 HH11 ARG 15 HH11 ARG 15 11.035 0.537 1.470
147 HH12 ARG 15 HH12 ARG 15 10.082 -0.848 1.885
148 HH21 ARG 15 HH21 ARG 15 10.534 -2.482 -1.244
149 HH22 ARG 15 HH22 ARG 15 9.793 -2.592 0.316
150 H LYS 16 HN LYS 16 17.372 2.578 0.045
151 HA LYS 16 HA LYS 16 18.844 0.158 0.722
152 HB2 LYS 16 HB2 LYS 16 20.872 1.313 0.003
153 HB3 LYS 16 HB1 LYS 16 19.646 1.531 -1.303
154 HG2 LYS 16 HG2 LYS 16 19.031 3.766 -0.281
155 HG3 LYS 16 HG1 LYS 16 20.399 3.571 0.872
156 HD2 LYS 16 HD2 LYS 16 22.007 3.963 -0.755
157 HD3 LYS 16 HD1 LYS 16 21.039 3.202 -2.065
158 HE2 LYS 16 HE2 LYS 16 19.637 5.211 -2.313
159 HE3 LYS 16 HE1 LYS 16 20.341 5.951 -0.818
160 HZ1 LYS 16 HZ1 LYS 16 21.195 6.494 -3.234
161 HZ2 LYS 16 HZ2 LYS 16 22.199 5.158 -2.936
162 HZ3 LYS 16 HZ3 LYS 16 22.225 6.491 -1.885
163 H LYS 17 HN LYS 17 17.015 2.470 2.058
164 HA LYS 17 HA LYS 17 18.840 2.653 4.302
165 HB2 LYS 17 HB2 LYS 17 17.113 4.925 3.190
166 HB3 LYS 17 HB1 LYS 17 18.015 4.994 4.750
167 HG2 LYS 17 HG2 LYS 17 20.162 4.628 3.512
168 HG3 LYS 17 HG1 LYS 17 19.248 4.581 1.965
169 HD2 LYS 17 HD2 LYS 17 18.467 6.929 2.349
170 HD3 LYS 17 HD1 LYS 17 19.360 6.978 3.909
171 HE2 LYS 17 HE2 LYS 17 21.531 6.664 2.683
172 HE3 LYS 17 HE1 LYS 17 20.631 6.603 1.111
173 HZ1 LYS 17 HZ1 LYS 17 20.344 8.784 1.126
174 HZ2 LYS 17 HZ2 LYS 17 21.631 8.809 2.233
175 HZ3 LYS 17 HZ3 LYS 17 20.029 8.881 2.791
Start of MODEL 20
1 H1 GLU 1 HT1 GLU 1 8.148 -7.917 -4.099
2 H2 GLU 1 HT2 GLU 1 7.255 -7.837 -5.542
3 H3 GLU 1 HT3 GLU 1 7.216 -9.247 -4.597
4 HA GLU 1 HA GLU 1 5.384 -8.472 -3.713
5 HB2 GLU 1 HB2 GLU 1 7.103 -7.988 -1.915
6 HB3 GLU 1 HB1 GLU 1 7.256 -6.318 -2.567
7 HG2 GLU 1 HG2 GLU 1 4.850 -5.859 -2.027
8 HG3 GLU 1 HG1 GLU 1 4.662 -7.546 -1.404
9 H MET 2 HN MET 2 7.294 -5.667 -4.998
10 HA MET 2 HA MET 2 4.791 -4.705 -6.183
11 HB2 MET 2 HB2 MET 2 6.496 -3.165 -4.222
12 HB3 MET 2 HB1 MET 2 6.050 -2.297 -5.747
13 HG2 MET 2 HG2 MET 2 4.135 -1.749 -4.709
14 HG3 MET 2 HG1 MET 2 3.618 -3.435 -5.010
15 HE1 MET 2 HE1 MET 2 6.061 -1.473 -2.594
16 HE2 MET 2 HE2 MET 2 5.053 -1.425 -1.108
17 HE3 MET 2 HE3 MET 2 4.454 -0.669 -2.624
18 H ARG 3 HN ARG 3 5.220 -2.904 -7.421
19 HA ARG 3 HA ARG 3 7.311 -3.453 -9.250
20 HB2 ARG 3 HB2 ARG 3 4.461 -2.718 -9.336
21 HB3 ARG 3 HB1 ARG 3 5.447 -1.663 -10.383
22 HG2 ARG 3 HG2 ARG 3 6.313 -3.422 -11.587
23 HG3 ARG 3 HG1 ARG 3 5.729 -4.652 -10.393
24 HD2 ARG 3 HD2 ARG 3 3.377 -4.181 -11.005
25 HD3 ARG 3 HD1 ARG 3 3.910 -2.838 -12.109
26 HE ARG 3 HE ARG 3 5.281 -5.188 -12.951
27 HH11 ARG 3 HH11 ARG 3 1.951 -3.975 -12.600
28 HH12 ARG 3 HH12 ARG 3 1.310 -4.900 -13.915
29 HH21 ARG 3 HH21 ARG 3 4.410 -6.448 -14.741
30 HH22 ARG 3 HH22 ARG 3 2.732 -6.332 -15.152
31 H ILE 4 HN ILE 4 6.830 -0.995 -10.437
32 HA ILE 4 HA ILE 4 8.683 0.562 -9.931
33 HB ILE 4 HB ILE 4 6.852 2.446 -10.203
34 HG12 ILE 4 HG12 ILE 4 4.831 1.564 -11.258
35 HG13 ILE 4 HG11 ILE 4 5.468 -0.109 -11.211
36 HG21 ILE 4 HG21 ILE 4 7.015 1.951 -12.694
37 HG22 ILE 4 HG22 ILE 4 7.757 0.356 -12.288
38 HG23 ILE 4 HG23 ILE 4 8.612 1.886 -11.855
39 HD11 ILE 4 HD11 ILE 4 5.010 1.501 -8.630
40 HD12 ILE 4 HD12 ILE 4 5.165 -0.295 -8.794
41 HD13 ILE 4 HD13 ILE 4 3.684 0.554 -9.398
42 H SER 5 HN SER 5 6.344 -0.016 -7.625
43 HA SER 5 HA SER 5 6.206 2.319 -6.234
44 HB2 SER 5 HB2 SER 5 6.207 -0.536 -5.374
45 HB3 SER 5 HB1 SER 5 5.717 0.827 -4.282
46 HG SER 5 HG SER 5 3.944 1.171 -5.491
47 H ARG 6 HN ARG 6 8.191 -0.390 -6.384
48 HA ARG 6 HA ARG 6 9.700 -0.001 -4.064
49 HB2 ARG 6 HB2 ARG 6 10.831 -1.938 -4.888
50 HB3 ARG 6 HB1 ARG 6 9.098 -2.108 -5.404
51 HG2 ARG 6 HG2 ARG 6 9.789 -0.808 -7.500
52 HG3 ARG 6 HG1 ARG 6 11.488 -1.282 -7.056
53 HD2 ARG 6 HD2 ARG 6 9.131 -3.212 -7.273
54 HD3 ARG 6 HD1 ARG 6 10.339 -2.912 -8.606
55 HE ARG 6 HE ARG 6 11.714 -3.529 -6.127
56 HH11 ARG 6 HH11 ARG 6 9.712 -4.996 -8.684
57 HH12 ARG 6 HH12 ARG 6 10.409 -6.575 -8.541
58 HH21 ARG 6 HH21 ARG 6 12.662 -5.682 -5.931
59 HH22 ARG 6 HH22 ARG 6 12.113 -6.971 -6.948
60 H ILE 7 HN ILE 7 9.441 1.202 -7.216
61 HA ILE 7 HA ILE 7 12.162 1.900 -7.315
62 HB ILE 7 HB ILE 7 9.911 2.048 -9.234
63 HG12 ILE 7 HG12 ILE 7 12.546 0.599 -9.547
64 HG13 ILE 7 HG11 ILE 7 11.400 0.036 -8.285
65 HG21 ILE 7 HG21 ILE 7 11.695 2.828 -10.896
66 HG22 ILE 7 HG22 ILE 7 12.796 3.104 -9.493
67 HG23 ILE 7 HG23 ILE 7 11.267 4.052 -9.640
68 HD11 ILE 7 HD11 ILE 7 10.209 0.528 -11.004
69 HD12 ILE 7 HD12 ILE 7 9.874 -0.766 -9.782
70 HD13 ILE 7 HD13 ILE 7 11.332 -0.883 -10.859
71 H ILE 8 HN ILE 8 9.184 3.074 -6.509
72 HA ILE 8 HA ILE 8 9.995 5.828 -6.787
73 HB ILE 8 HB ILE 8 7.990 4.719 -4.883
74 HG12 ILE 8 HG12 ILE 8 7.354 3.607 -6.765
75 HG13 ILE 8 HG11 ILE 8 6.282 5.049 -6.804
76 HG21 ILE 8 HG21 ILE 8 7.230 6.927 -4.699
77 HG22 ILE 8 HG22 ILE 8 7.475 7.271 -6.454
78 HG23 ILE 8 HG23 ILE 8 8.880 7.314 -5.320
79 HD11 ILE 8 HD11 ILE 8 7.980 6.110 -8.428
80 HD12 ILE 8 HD12 ILE 8 7.126 4.646 -9.061
81 HD13 ILE 8 HD13 ILE 8 8.824 4.509 -8.459
82 H LEU 9 HN LEU 9 9.667 3.330 -4.653
83 HA LEU 9 HA LEU 9 10.475 4.428 -2.330
84 HB2 LEU 9 HB2 LEU 9 10.179 1.974 -3.739
85 HB3 LEU 9 HB1 LEU 9 11.444 1.897 -2.471
86 HG LEU 9 HG LEU 9 8.694 2.962 -1.778
87 HD11 LEU 9 HD11 LEU 9 9.452 0.001 -2.171
88 HD12 LEU 9 HD12 LEU 9 8.118 0.908 -2.969
89 HD13 LEU 9 HD13 LEU 9 8.028 0.546 -1.205
90 HD21 LEU 9 HD21 LEU 9 9.482 2.737 0.351
91 HD22 LEU 9 HD22 LEU 9 11.108 2.521 -0.426
92 HD23 LEU 9 HD23 LEU 9 10.117 1.076 0.034
93 H ASP 10 HN ASP 10 12.109 3.311 -5.076
94 HA ASP 10 HA ASP 10 14.502 3.333 -3.628
95 HB2 ASP 10 HB2 ASP 10 13.463 3.149 -6.356
96 HB3 ASP 10 HB1 ASP 10 15.138 3.792 -6.266
97 H PHE 11 HN PHE 11 12.430 5.551 -5.335
98 HA PHE 11 HA PHE 11 14.485 7.548 -5.445
99 HB2 PHE 11 HB2 PHE 11 11.552 7.507 -6.089
100 HB3 PHE 11 HB1 PHE 11 12.678 8.883 -6.532
101 HD1 PHE 11 HD1 PHE 11 11.243 7.539 -8.651
102 HD2 PHE 11 HD2 PHE 11 14.816 6.402 -6.694
103 HE1 PHE 11 HE1 PHE 11 11.839 6.036 -10.440
104 HE2 PHE 11 HE2 PHE 11 15.342 4.951 -8.279
105 HZ PHE 11 HZ PHE 11 13.937 4.717 -10.354
106 H LEU 12 HN LEU 12 12.601 6.226 -3.304
107 HA LEU 12 HA LEU 12 11.966 8.628 -2.040
108 HB2 LEU 12 HB2 LEU 12 11.512 5.759 -1.680
109 HB3 LEU 12 HB1 LEU 12 11.088 6.917 -0.349
110 HG LEU 12 HG LEU 12 10.243 7.100 -3.189
111 HD11 LEU 12 HD11 LEU 12 8.009 6.426 -1.512
112 HD12 LEU 12 HD12 LEU 12 9.384 5.307 -1.137
113 HD13 LEU 12 HD13 LEU 12 8.789 5.456 -2.828
114 HD21 LEU 12 HD21 LEU 12 8.396 8.522 -1.648
115 HD22 LEU 12 HD22 LEU 12 9.779 9.210 -2.592
116 HD23 LEU 12 HD23 LEU 12 9.983 8.835 -0.837
117 H PHE 13 HN PHE 13 13.897 5.770 -1.836
118 HA PHE 13 HA PHE 13 15.306 7.022 0.431
119 HB2 PHE 13 HB2 PHE 13 14.615 4.102 0.134
120 HB3 PHE 13 HB1 PHE 13 15.299 4.901 1.622
121 HD1 PHE 13 HD1 PHE 13 12.725 4.048 -0.423
122 HD2 PHE 13 HD2 PHE 13 13.665 6.434 2.871
123 HE1 PHE 13 HE1 PHE 13 10.557 4.349 -0.152
124 HE2 PHE 13 HE2 PHE 13 11.278 6.725 3.296
125 HZ PHE 13 HZ PHE 13 9.620 5.650 1.796
126 H DLE 14 HN DLE 14 15.218 4.953 -2.432
127 HA DLE 14 HA DLE 14 18.074 4.734 -2.124
128 HB2 DLE 14 HB2 DLE 14 18.285 3.976 -4.428
129 HB3 DLE 14 HB1 DLE 14 16.503 4.243 -4.623
130 HG DLE 14 HG DLE 14 16.927 6.523 -3.720
131 HD11 DLE 14 HD11 DLE 14 19.742 6.435 -4.719
132 HD12 DLE 14 HD12 DLE 14 19.395 5.470 -3.213
133 HD13 DLE 14 HD13 DLE 14 19.025 7.245 -3.267
134 HD21 DLE 14 HD21 DLE 14 16.707 7.255 -5.842
135 HD22 DLE 14 HD22 DLE 14 16.739 5.497 -6.246
136 HD23 DLE 14 HD23 DLE 14 18.253 6.485 -6.388
137 H ARG 15 HN ARG 15 15.666 3.434 -1.137
138 HA ARG 15 HA ARG 15 15.451 1.484 -0.303
139 HB2 ARG 15 HB2 ARG 15 15.818 0.874 -3.238
140 HB3 ARG 15 HB1 ARG 15 15.252 -0.389 -2.070
141 HG2 ARG 15 HG2 ARG 15 13.932 2.340 -1.956
142 HG3 ARG 15 HG1 ARG 15 13.527 1.273 -3.366
143 HD2 ARG 15 HD2 ARG 15 13.596 0.054 -0.560
144 HD3 ARG 15 HD1 ARG 15 12.160 1.044 -1.054
145 HE ARG 15 HE ARG 15 12.631 -0.667 -3.220
146 HH11 ARG 15 HH11 ARG 15 12.012 -0.977 0.276
147 HH12 ARG 15 HH12 ARG 15 11.222 -2.513 0.163
148 HH21 ARG 15 HH21 ARG 15 11.557 -2.774 -3.372
149 HH22 ARG 15 HH22 ARG 15 10.959 -3.552 -1.945
150 H LYS 16 HN LYS 16 17.810 2.695 -0.370
151 HA LYS 16 HA LYS 16 19.873 0.674 -0.534
152 HB2 LYS 16 HB2 LYS 16 21.450 2.617 -0.501
153 HB3 LYS 16 HB1 LYS 16 20.270 2.727 -1.867
154 HG2 LYS 16 HG2 LYS 16 18.841 4.223 -0.568
155 HG3 LYS 16 HG1 LYS 16 19.933 4.117 0.853
156 HD2 LYS 16 HD2 LYS 16 21.677 5.331 -0.274
157 HD3 LYS 16 HD1 LYS 16 20.911 5.111 -1.887
158 HE2 LYS 16 HE2 LYS 16 19.024 6.609 -1.249
159 HE3 LYS 16 HE1 LYS 16 19.694 6.772 0.429
160 HZ1 LYS 16 HZ1 LYS 16 20.210 8.573 -1.241
161 HZ2 LYS 16 HZ2 LYS 16 21.280 7.479 -1.977
162 HZ3 LYS 16 HZ3 LYS 16 21.520 7.946 -0.362
163 H LYS 17 HN LYS 17 17.656 1.892 1.533
164 HA LYS 17 HA LYS 17 19.554 1.841 3.732
165 HB2 LYS 17 HB2 LYS 17 16.896 3.290 3.918
166 HB3 LYS 17 HB1 LYS 17 18.406 3.580 4.852
167 HG2 LYS 17 HG2 LYS 17 19.508 4.498 2.820
168 HG3 LYS 17 HG1 LYS 17 18.025 4.182 1.855
169 HD2 LYS 17 HD2 LYS 17 17.964 6.518 2.420
170 HD3 LYS 17 HD1 LYS 17 16.761 5.721 3.491
171 HE2 LYS 17 HE2 LYS 17 18.371 5.767 5.395
172 HE3 LYS 17 HE1 LYS 17 19.647 6.477 4.319
173 HZ1 LYS 17 HZ1 LYS 17 18.358 8.413 4.051
174 HZ2 LYS 17 HZ2 LYS 17 18.401 8.072 5.713
175 HZ3 LYS 17 HZ3 LYS 17 17.001 7.736 4.814