Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
526946 | 2lmf RC | 18114 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 1HT LEU 1 -17.394 -0.313 3.759
2 H2 LEU 1 2HT LEU 1 -18.425 0.281 2.546
3 H3 LEU 1 3HT LEU 1 -17.127 1.227 3.101
4 HA LEU 1 HA LEU 1 -16.777 -1.395 1.765
5 HB2 LEU 1 2HB LEU 1 -16.330 1.303 0.485
6 HB3 LEU 1 1HB LEU 1 -16.429 -0.277 -0.291
7 HG LEU 1 HG LEU 1 -18.875 -0.219 0.857
8 HD11 LEU 1 2HD1 LEU 1 -18.463 2.665 0.054
9 HD12 LEU 1 3HD1 LEU 1 -18.268 2.138 1.725
10 HD13 LEU 1 1HD1 LEU 1 -19.825 1.951 0.919
11 HD21 LEU 1 1HD2 LEU 1 -18.050 1.072 -1.763
12 HD22 LEU 1 2HD2 LEU 1 -19.711 0.651 -1.349
13 HD23 LEU 1 3HD2 LEU 1 -18.495 -0.616 -1.511
14 H LEU 2 H LEU 2 -15.214 -1.708 3.508
15 HA LEU 2 HA LEU 2 -13.130 -0.073 4.247
16 HB2 LEU 2 2HB LEU 2 -13.600 -2.336 5.172
17 HB3 LEU 2 1HB LEU 2 -12.844 -3.023 3.739
18 HG LEU 2 HG LEU 2 -10.892 -1.391 4.297
19 HD11 LEU 2 1HD1 LEU 2 -11.904 -1.824 7.109
20 HD12 LEU 2 2HD1 LEU 2 -12.331 -0.371 6.209
21 HD13 LEU 2 3HD1 LEU 2 -10.641 -0.727 6.557
22 HD21 LEU 2 3HD2 LEU 2 -9.956 -3.117 5.897
23 HD22 LEU 2 1HD2 LEU 2 -10.532 -3.728 4.346
24 HD23 LEU 2 2HD2 LEU 2 -11.523 -3.920 5.792
25 H GLY 3 H GLY 3 -13.235 -2.265 1.515
26 HA2 GLY 3 2HA GLY 3 -10.792 -2.272 0.443
27 HA3 GLY 3 1HA GLY 3 -12.200 -2.008 -0.584
28 H ASP 4 H ASP 4 -12.883 0.574 0.565
29 HA ASP 4 HA ASP 4 -11.178 2.246 -1.027
30 HB2 ASP 4 2HB ASP 4 -13.397 2.845 0.939
31 HB3 ASP 4 1HB ASP 4 -12.525 4.103 0.063
32 H PHE 5 H PHE 5 -11.597 1.621 2.422
33 HA PHE 5 HA PHE 5 -9.923 3.563 3.511
34 HB2 PHE 5 2HB PHE 5 -10.992 2.434 5.189
35 HB3 PHE 5 1HB PHE 5 -10.937 0.900 4.345
36 HD1 PHE 5 1HD PHE 5 -8.849 -0.494 4.396
37 HD2 PHE 5 2HD PHE 5 -9.277 3.094 6.719
38 HE1 PHE 5 1HE PHE 5 -6.924 -1.169 5.800
39 HE2 PHE 5 2HE PHE 5 -7.347 2.418 8.121
40 HZ PHE 5 HZ PHE 5 -6.171 0.284 7.662
41 H PHE 6 H PHE 6 -9.117 0.267 2.459
42 HA PHE 6 HA PHE 6 -6.358 0.412 3.022
43 HB2 PHE 6 2HB PHE 6 -8.138 -1.362 1.445
44 HB3 PHE 6 1HB PHE 6 -6.435 -1.382 0.990
45 HD1 PHE 6 1HD PHE 6 -4.807 -1.293 3.192
46 HD2 PHE 6 2HD PHE 6 -8.765 -2.949 3.022
47 HE1 PHE 6 1HE PHE 6 -4.290 -2.726 5.150
48 HE2 PHE 6 2HE PHE 6 -8.249 -4.382 4.979
49 HZ PHE 6 HZ PHE 6 -6.015 -4.269 6.045
50 H ARG 7 H ARG 7 -8.195 1.151 0.073
51 HA ARG 7 HA ARG 7 -6.114 1.537 -1.700
52 HB2 ARG 7 2HB ARG 7 -8.026 1.838 -2.877
53 HB3 ARG 7 1HB ARG 7 -8.906 2.399 -1.461
54 HG2 ARG 7 2HG ARG 7 -8.046 4.638 -1.721
55 HG3 ARG 7 1HG ARG 7 -6.915 4.113 -2.962
56 HD2 ARG 7 2HD ARG 7 -8.463 4.391 -4.568
57 HD3 ARG 7 1HD ARG 7 -9.585 3.326 -3.734
58 HE ARG 7 HE ARG 7 -9.911 6.064 -4.011
59 HH11 ARG 7 1HH2 ARG 7 -9.697 3.837 -1.365
60 HH12 ARG 7 2HH2 ARG 7 -10.605 4.835 -0.282
61 HH21 ARG 7 1HH1 ARG 7 -11.099 7.362 -2.598
62 HH22 ARG 7 2HH1 ARG 7 -11.399 6.827 -0.977
63 H LYS 8 H LYS 8 -7.357 3.730 0.782
64 HA LYS 8 HA LYS 8 -5.703 5.938 0.023
65 HB2 LYS 8 2HB LYS 8 -7.809 6.132 1.376
66 HB3 LYS 8 1HB LYS 8 -6.950 5.390 2.726
67 HG2 LYS 8 2HG LYS 8 -5.280 7.205 2.669
68 HG3 LYS 8 1HG LYS 8 -6.134 7.949 1.318
69 HD2 LYS 8 2HD LYS 8 -8.043 8.437 2.657
70 HD3 LYS 8 1HD LYS 8 -7.495 7.373 3.954
71 HE2 LYS 8 2HE LYS 8 -6.037 9.879 3.070
72 HE3 LYS 8 1HE LYS 8 -7.121 9.795 4.458
73 HZ1 LYS 8 3HZ LYS 8 -5.399 7.677 4.750
74 HZ2 LYS 8 1HZ LYS 8 -5.376 9.128 5.627
75 HZ3 LYS 8 2HZ LYS 8 -4.411 8.961 4.239
76 H SER 9 H SER 9 -5.467 3.398 2.497
77 HA SER 9 HA SER 9 -2.950 4.327 3.510
78 HB2 SER 9 2HB SER 9 -3.261 1.572 4.109
79 HB3 SER 9 1HB SER 9 -3.583 2.943 5.167
80 HG SER 9 HG SER 9 -5.680 3.043 4.182
81 H LYS 10 H LYS 10 -3.914 1.594 1.434
82 HA LYS 10 HA LYS 10 -1.423 0.496 0.949
83 HB2 LYS 10 2HB LYS 10 -3.910 0.697 -0.733
84 HB3 LYS 10 1HB LYS 10 -2.462 -0.095 -1.354
85 HG2 LYS 10 2HG LYS 10 -3.489 -0.827 1.372
86 HG3 LYS 10 1HG LYS 10 -4.278 -1.498 -0.053
87 HD2 LYS 10 2HD LYS 10 -1.293 -1.622 0.025
88 HD3 LYS 10 1HD LYS 10 -2.167 -2.697 1.114
89 HE2 LYS 10 2HE LYS 10 -1.771 -3.838 -1.010
90 HE3 LYS 10 1HE LYS 10 -3.497 -3.527 -0.827
91 HZ1 LYS 10 3HZ LYS 10 -2.590 -2.957 -3.046
92 HZ2 LYS 10 1HZ LYS 10 -1.643 -1.754 -2.316
93 HZ3 LYS 10 2HZ LYS 10 -3.337 -1.650 -2.259
94 H GLU 11 H GLU 11 -2.912 3.360 -0.487
95 HA GLU 11 HA GLU 11 -0.894 3.709 -2.491
96 HB2 GLU 11 2HB GLU 11 -3.101 5.405 -1.368
97 HB3 GLU 11 1HB GLU 11 -1.850 6.168 -2.349
98 HG2 GLU 11 2HG GLU 11 -2.291 4.456 -4.133
99 HG3 GLU 11 1HG GLU 11 -3.643 3.865 -3.170
100 H LYS 12 H LYS 12 -1.430 4.954 0.778
101 HA LYS 12 HA LYS 12 0.826 6.700 0.805
102 HB2 LYS 12 2HB LYS 12 -0.989 5.525 2.889
103 HB3 LYS 12 1HB LYS 12 0.485 6.350 3.389
104 HG2 LYS 12 2HG LYS 12 -1.287 7.705 1.384
105 HG3 LYS 12 1HG LYS 12 -1.795 7.693 3.071
106 HD2 LYS 12 2HD LYS 12 0.940 8.616 2.137
107 HD3 LYS 12 1HD LYS 12 -0.414 9.703 2.437
108 HE2 LYS 12 2HE LYS 12 -0.389 8.266 4.768
109 HE3 LYS 12 1HE LYS 12 1.328 8.290 4.369
110 HZ1 LYS 12 3HZ LYS 12 -0.089 10.305 5.549
111 HZ2 LYS 12 1HZ LYS 12 0.090 10.826 3.944
112 HZ3 LYS 12 2HZ LYS 12 1.462 10.433 4.866
113 H ILE 13 H ILE 13 0.273 3.391 2.006
114 HA ILE 13 HA ILE 13 2.889 3.005 3.015
115 HB ILE 13 HB ILE 13 0.569 1.244 2.280
116 HG12 ILE 13 2HG1 ILE 13 1.012 0.618 4.781
117 HG13 ILE 13 1HG1 ILE 13 1.979 2.091 4.807
118 HG21 ILE 13 1HG2 ILE 13 1.938 -0.666 3.209
119 HG22 ILE 13 2HG2 ILE 13 3.351 0.371 3.033
120 HG23 ILE 13 3HG2 ILE 13 2.421 -0.102 1.611
121 HD11 ILE 13 3HD1 ILE 13 0.017 3.371 3.995
122 HD12 ILE 13 1HD1 ILE 13 -0.321 2.563 5.525
123 HD13 ILE 13 2HD1 ILE 13 -0.942 1.891 4.019
124 H GLY 14 H GLY 14 1.279 2.157 -0.035
125 HA2 GLY 14 2HA GLY 14 3.227 0.645 -1.243
126 HA3 GLY 14 1HA GLY 14 2.149 1.721 -2.126
127 H LYS 15 H LYS 15 2.967 4.199 -1.266
128 HA LYS 15 HA LYS 15 5.356 4.555 -2.792
129 HB2 LYS 15 2HB LYS 15 3.431 6.286 -1.343
130 HB3 LYS 15 1HB LYS 15 5.062 6.935 -1.506
131 HG2 LYS 15 2HG LYS 15 3.703 7.631 -3.419
132 HG3 LYS 15 1HG LYS 15 4.957 6.512 -3.958
133 HD2 LYS 15 2HD LYS 15 3.392 4.680 -4.042
134 HD3 LYS 15 1HD LYS 15 2.139 5.647 -3.263
135 HE2 LYS 15 2HE LYS 15 3.372 6.241 -5.969
136 HE3 LYS 15 1HE LYS 15 1.788 5.510 -5.712
137 HZ1 LYS 15 3HZ LYS 15 0.940 7.526 -5.485
138 HZ2 LYS 15 1HZ LYS 15 2.468 8.227 -5.712
139 HZ3 LYS 15 2HZ LYS 15 1.946 7.819 -4.147
140 H GLU 16 H GLU 16 4.612 4.614 0.673
141 HA GLU 16 HA GLU 16 7.262 5.323 1.474
142 HB2 GLU 16 2HB GLU 16 4.786 4.359 2.833
143 HB3 GLU 16 1HB GLU 16 6.314 4.178 3.693
144 HG2 GLU 16 2HG GLU 16 6.775 6.586 3.369
145 HG3 GLU 16 1HG GLU 16 5.236 6.763 2.530
146 H PHE 17 H PHE 17 5.493 2.204 1.481
147 HA PHE 17 HA PHE 17 7.749 0.724 2.334
148 HB2 PHE 17 2HB PHE 17 6.112 -0.760 2.617
149 HB3 PHE 17 1HB PHE 17 5.037 0.208 1.633
150 HD1 PHE 17 2HD PHE 17 5.380 0.022 -0.971
151 HD2 PHE 17 1HD PHE 17 6.750 -2.875 1.881
152 HE1 PHE 17 2HE PHE 17 5.445 -1.698 -2.752
153 HE2 PHE 17 1HE PHE 17 6.815 -4.597 0.104
154 HZ PHE 17 HZ PHE 17 6.166 -4.010 -2.218
155 H LYS 18 H LYS 18 6.918 2.068 -0.723
156 HA LYS 18 HA LYS 18 8.470 0.236 -2.308
157 HB2 LYS 18 2HB LYS 18 7.127 2.868 -2.777
158 HB3 LYS 18 1HB LYS 18 8.371 2.355 -3.911
159 HG2 LYS 18 2HG LYS 18 6.226 0.409 -3.117
160 HG3 LYS 18 1HG LYS 18 5.852 1.650 -4.308
161 HD2 LYS 18 2HD LYS 18 8.183 -0.285 -4.507
162 HD3 LYS 18 1HD LYS 18 6.644 -0.483 -5.342
163 HE2 LYS 18 2HE LYS 18 8.884 1.378 -5.926
164 HE3 LYS 18 1HE LYS 18 7.727 0.631 -7.025
165 HZ1 LYS 18 3HZ LYS 18 7.285 2.946 -6.961
166 HZ2 LYS 18 1HZ LYS 18 7.277 2.976 -5.265
167 HZ3 LYS 18 2HZ LYS 18 6.034 2.179 -6.105
168 H ARG 19 H ARG 19 9.114 3.201 -0.532
169 HA ARG 19 HA ARG 19 11.792 3.390 -1.694
170 HB2 ARG 19 2HB ARG 19 11.879 5.565 -0.933
171 HB3 ARG 19 1HB ARG 19 10.145 5.367 -1.170
172 HG2 ARG 19 2HG ARG 19 9.958 4.747 1.260
173 HG3 ARG 19 1HG ARG 19 11.659 5.163 1.450
174 HD2 ARG 19 2HD ARG 19 10.917 7.420 0.295
175 HD3 ARG 19 1HD ARG 19 9.322 6.956 0.888
176 HE ARG 19 HE ARG 19 10.932 6.667 3.076
177 HH11 ARG 19 1HH2 ARG 19 10.309 9.182 0.781
178 HH12 ARG 19 2HH2 ARG 19 10.614 10.468 1.900
179 HH21 ARG 19 1HH1 ARG 19 11.332 8.348 4.549
180 HH22 ARG 19 2HH1 ARG 19 11.192 9.995 4.034
181 H ILE 20 H ILE 20 10.324 2.015 1.108
182 HA ILE 20 HA ILE 20 12.775 2.200 2.689
183 HB ILE 20 HB ILE 20 11.582 1.404 4.497
184 HG12 ILE 20 2HG1 ILE 20 9.836 -0.105 2.525
185 HG13 ILE 20 1HG1 ILE 20 11.008 -0.791 3.648
186 HG21 ILE 20 1HG2 ILE 20 9.024 2.102 3.227
187 HG22 ILE 20 2HG2 ILE 20 10.287 3.299 2.973
188 HG23 ILE 20 3HG2 ILE 20 9.827 2.834 4.607
189 HD11 ILE 20 3HD1 ILE 20 8.475 0.694 4.420
190 HD12 ILE 20 1HD1 ILE 20 9.669 0.062 5.551
191 HD13 ILE 20 2HD1 ILE 20 8.737 -1.044 4.543
192 H VAL 21 H VAL 21 10.847 -0.309 1.094
193 HA VAL 21 HA VAL 21 12.992 -2.263 1.523
194 HB VAL 21 HB VAL 21 10.489 -2.747 1.856
195 HG11 VAL 21 1HG1 VAL 21 10.232 -1.761 -0.688
196 HG12 VAL 21 2HG1 VAL 21 9.072 -2.849 0.067
197 HG13 VAL 21 3HG1 VAL 21 10.311 -3.492 -1.007
198 HG21 VAL 21 3HG2 VAL 21 12.133 -4.537 0.036
199 HG22 VAL 21 1HG2 VAL 21 10.775 -5.053 1.036
200 HG23 VAL 21 2HG2 VAL 21 12.258 -4.474 1.794
201 H GLN 22 H GLN 22 13.797 -0.215 -0.154
202 HA GLN 22 HA GLN 22 13.367 -0.691 -2.907
203 HB2 GLN 22 2HB GLN 22 15.606 0.643 -1.385
204 HB3 GLN 22 1HB GLN 22 15.607 0.527 -3.145
205 HG2 GLN 22 2HG GLN 22 13.355 1.620 -3.168
206 HG3 GLN 22 1HG GLN 22 13.489 1.841 -1.425
207 HE21 GLN 22 1HE2 GLN 22 13.552 3.797 -3.870
208 HE22 GLN 22 2HE2 GLN 22 14.909 4.763 -3.547
209 H ARG 23 H ARG 23 13.452 -3.064 -2.889
210 HA ARG 23 HA ARG 23 14.491 -5.088 -3.250
211 HB2 ARG 23 2HB ARG 23 16.408 -3.129 -4.516
212 HB3 ARG 23 1HB ARG 23 16.643 -4.873 -4.615
213 HG2 ARG 23 2HG ARG 23 14.291 -5.041 -5.539
214 HG3 ARG 23 1HG ARG 23 14.282 -3.279 -5.642
215 HD2 ARG 23 2HD ARG 23 16.674 -3.898 -6.850
216 HD3 ARG 23 1HD ARG 23 15.670 -5.256 -7.343
217 HE ARG 23 HE ARG 23 15.593 -2.799 -8.554
218 HH11 ARG 23 1HH2 ARG 23 13.315 -4.733 -6.791
219 HH12 ARG 23 2HH2 ARG 23 11.931 -4.027 -7.553
220 HH21 ARG 23 1HH1 ARG 23 13.782 -1.893 -9.555
221 HH22 ARG 23 2HH1 ARG 23 12.195 -2.427 -9.117
Start of MODEL 2
1 H1 LEU 1 1HT LEU 1 -18.000 -1.159 4.443
2 H2 LEU 1 2HT LEU 1 -16.384 -1.600 4.723
3 H3 LEU 1 3HT LEU 1 -17.049 -1.740 3.166
4 HA LEU 1 HA LEU 1 -16.746 0.406 2.674
5 HB2 LEU 1 2HB LEU 1 -17.664 0.783 5.513
6 HB3 LEU 1 1HB LEU 1 -16.894 2.128 4.675
7 HG LEU 1 HG LEU 1 -18.538 1.883 2.825
8 HD11 LEU 1 2HD1 LEU 1 -19.097 -0.456 3.016
9 HD12 LEU 1 3HD1 LEU 1 -20.567 0.465 3.328
10 HD13 LEU 1 1HD1 LEU 1 -19.665 -0.240 4.671
11 HD21 LEU 1 1HD2 LEU 1 -18.881 3.349 4.910
12 HD22 LEU 1 2HD2 LEU 1 -19.988 2.096 5.471
13 HD23 LEU 1 3HD2 LEU 1 -20.325 2.965 3.974
14 H LEU 2 H LEU 2 -14.771 -1.529 3.542
15 HA LEU 2 HA LEU 2 -12.712 0.192 4.779
16 HB2 LEU 2 2HB LEU 2 -13.190 -2.037 5.819
17 HB3 LEU 2 1HB LEU 2 -12.582 -2.780 4.341
18 HG LEU 2 HG LEU 2 -10.550 -1.192 4.665
19 HD11 LEU 2 1HD1 LEU 2 -11.302 0.160 6.501
20 HD12 LEU 2 2HD1 LEU 2 -10.073 -0.914 7.161
21 HD13 LEU 2 3HD1 LEU 2 -11.780 -1.258 7.432
22 HD21 LEU 2 3HD2 LEU 2 -10.452 -3.630 4.809
23 HD22 LEU 2 1HD2 LEU 2 -10.974 -3.551 6.492
24 HD23 LEU 2 2HD2 LEU 2 -9.416 -2.875 6.021
25 H GLY 3 H GLY 3 -13.183 -2.127 2.175
26 HA2 GLY 3 2HA GLY 3 -10.870 -2.236 0.848
27 HA3 GLY 3 1HA GLY 3 -12.376 -1.994 -0.035
28 H ASP 4 H ASP 4 -12.903 0.640 1.056
29 HA ASP 4 HA ASP 4 -11.402 2.229 -0.786
30 HB2 ASP 4 2HB ASP 4 -12.615 4.113 0.152
31 HB3 ASP 4 1HB ASP 4 -13.731 2.763 -0.055
32 H PHE 5 H PHE 5 -11.355 1.744 2.715
33 HA PHE 5 HA PHE 5 -9.452 3.643 3.466
34 HB2 PHE 5 2HB PHE 5 -10.342 2.655 5.333
35 HB3 PHE 5 1HB PHE 5 -10.473 1.084 4.573
36 HD1 PHE 5 2HD PHE 5 -8.452 -0.409 4.405
37 HD2 PHE 5 1HD PHE 5 -8.409 3.286 6.598
38 HE1 PHE 5 2HE PHE 5 -6.383 -1.119 5.568
39 HE2 PHE 5 1HE PHE 5 -6.340 2.571 7.763
40 HZ PHE 5 HZ PHE 5 -5.327 0.368 7.247
41 H PHE 6 H PHE 6 -9.016 0.272 2.460
42 HA PHE 6 HA PHE 6 -6.226 0.187 2.683
43 HB2 PHE 6 2HB PHE 6 -8.297 -1.408 1.283
44 HB3 PHE 6 1HB PHE 6 -6.654 -1.561 0.662
45 HD1 PHE 6 2HD PHE 6 -4.822 -1.596 2.725
46 HD2 PHE 6 1HD PHE 6 -8.883 -2.995 2.878
47 HE1 PHE 6 2HE PHE 6 -4.240 -3.081 4.626
48 HE2 PHE 6 1HE PHE 6 -8.297 -4.483 4.776
49 HZ PHE 6 HZ PHE 6 -5.979 -4.523 5.651
50 H ARG 7 H ARG 7 -8.263 1.031 -0.115
51 HA ARG 7 HA ARG 7 -6.272 1.361 -2.010
52 HB2 ARG 7 2HB ARG 7 -8.255 1.716 -3.059
53 HB3 ARG 7 1HB ARG 7 -9.021 2.327 -1.597
54 HG2 ARG 7 2HG ARG 7 -8.084 4.514 -1.918
55 HG3 ARG 7 1HG ARG 7 -7.054 3.948 -3.226
56 HD2 ARG 7 2HD ARG 7 -10.067 4.170 -3.222
57 HD3 ARG 7 1HD ARG 7 -8.944 5.092 -4.213
58 HE ARG 7 HE ARG 7 -10.108 2.648 -4.913
59 HH11 ARG 7 1HH2 ARG 7 -6.921 4.011 -4.751
60 HH12 ARG 7 2HH2 ARG 7 -6.238 2.869 -5.857
61 HH21 ARG 7 1HH1 ARG 7 -9.219 1.187 -6.381
62 HH22 ARG 7 2HH1 ARG 7 -7.538 1.281 -6.787
63 H LYS 8 H LYS 8 -7.459 3.657 0.420
64 HA LYS 8 HA LYS 8 -5.696 5.772 -0.323
65 HB2 LYS 8 2HB LYS 8 -7.859 5.921 1.062
66 HB3 LYS 8 1HB LYS 8 -6.881 5.376 2.425
67 HG2 LYS 8 2HG LYS 8 -5.345 7.275 2.092
68 HG3 LYS 8 1HG LYS 8 -6.310 7.818 0.717
69 HD2 LYS 8 2HD LYS 8 -8.257 8.127 2.187
70 HD3 LYS 8 1HD LYS 8 -7.322 7.548 3.564
71 HE2 LYS 8 2HE LYS 8 -7.519 10.110 3.240
72 HE3 LYS 8 1HE LYS 8 -5.916 9.446 3.559
73 HZ1 LYS 8 3HZ LYS 8 -5.459 9.463 1.204
74 HZ2 LYS 8 1HZ LYS 8 -5.907 11.017 1.711
75 HZ3 LYS 8 2HZ LYS 8 -7.018 10.047 0.867
76 H SER 9 H SER 9 -5.559 3.165 2.078
77 HA SER 9 HA SER 9 -3.075 4.040 3.217
78 HB2 SER 9 2HB SER 9 -4.308 1.284 3.351
79 HB3 SER 9 1HB SER 9 -3.115 1.971 4.449
80 HG SER 9 HG SER 9 -5.817 2.736 4.063
81 H LYS 10 H LYS 10 -3.962 1.350 1.039
82 HA LYS 10 HA LYS 10 -1.442 0.289 0.611
83 HB2 LYS 10 2HB LYS 10 -3.934 0.439 -1.047
84 HB3 LYS 10 1HB LYS 10 -2.451 -0.144 -1.804
85 HG2 LYS 10 2HG LYS 10 -2.235 -1.933 -0.238
86 HG3 LYS 10 1HG LYS 10 -3.455 -1.242 0.830
87 HD2 LYS 10 2HD LYS 10 -5.116 -1.533 -1.083
88 HD3 LYS 10 1HD LYS 10 -3.880 -2.491 -1.890
89 HE2 LYS 10 2HE LYS 10 -4.863 -3.087 0.906
90 HE3 LYS 10 1HE LYS 10 -5.537 -3.841 -0.536
91 HZ1 LYS 10 3HZ LYS 10 -3.814 -5.210 0.458
92 HZ2 LYS 10 1HZ LYS 10 -2.690 -3.950 0.301
93 HZ3 LYS 10 2HZ LYS 10 -3.344 -4.681 -1.086
94 H GLU 11 H GLU 11 -2.900 3.203 -0.690
95 HA GLU 11 HA GLU 11 -0.848 3.692 -2.645
96 HB2 GLU 11 2HB GLU 11 -3.024 5.387 -1.415
97 HB3 GLU 11 1HB GLU 11 -1.830 6.071 -2.520
98 HG2 GLU 11 2HG GLU 11 -2.520 4.661 -4.308
99 HG3 GLU 11 1HG GLU 11 -3.440 3.614 -3.229
100 H LYS 12 H LYS 12 -1.582 4.923 0.612
101 HA LYS 12 HA LYS 12 0.609 6.662 0.881
102 HB2 LYS 12 2HB LYS 12 -1.142 6.800 2.505
103 HB3 LYS 12 1HB LYS 12 -0.998 5.090 2.907
104 HG2 LYS 12 2HG LYS 12 0.040 6.628 4.606
105 HG3 LYS 12 1HG LYS 12 1.163 5.447 3.937
106 HD2 LYS 12 2HD LYS 12 2.266 7.050 2.623
107 HD3 LYS 12 1HD LYS 12 0.906 8.169 2.673
108 HE2 LYS 12 2HE LYS 12 3.041 8.603 4.176
109 HE3 LYS 12 1HE LYS 12 1.429 8.922 4.814
110 HZ1 LYS 12 3HZ LYS 12 2.751 7.632 6.365
111 HZ2 LYS 12 1HZ LYS 12 2.984 6.424 5.199
112 HZ3 LYS 12 2HZ LYS 12 1.428 6.722 5.810
113 H ILE 13 H ILE 13 0.238 3.288 1.988
114 HA ILE 13 HA ILE 13 2.877 2.925 2.851
115 HB ILE 13 HB ILE 13 0.661 1.092 1.952
116 HG12 ILE 13 2HG1 ILE 13 0.980 0.352 4.408
117 HG13 ILE 13 1HG1 ILE 13 1.957 1.807 4.593
118 HG21 ILE 13 1HG2 ILE 13 3.501 0.414 2.663
119 HG22 ILE 13 2HG2 ILE 13 2.537 -0.156 1.297
120 HG23 ILE 13 3HG2 ILE 13 2.189 -0.735 2.926
121 HD11 ILE 13 3HD1 ILE 13 0.031 3.165 3.801
122 HD12 ILE 13 1HD1 ILE 13 -0.365 2.245 5.250
123 HD13 ILE 13 2HD1 ILE 13 -0.930 1.693 3.675
124 H GLY 14 H GLY 14 1.304 2.678 -0.283
125 HA2 GLY 14 2HA GLY 14 3.137 1.241 -1.771
126 HA3 GLY 14 1HA GLY 14 2.186 2.579 -2.412
127 H LYS 15 H LYS 15 3.155 4.745 -1.116
128 HA LYS 15 HA LYS 15 5.600 5.255 -2.465
129 HB2 LYS 15 2HB LYS 15 3.895 6.729 -0.494
130 HB3 LYS 15 1HB LYS 15 5.537 7.303 -0.775
131 HG2 LYS 15 2HG LYS 15 3.942 8.421 -2.291
132 HG3 LYS 15 1HG LYS 15 5.083 7.425 -3.197
133 HD2 LYS 15 2HD LYS 15 3.456 5.651 -3.427
134 HD3 LYS 15 1HD LYS 15 2.335 6.477 -2.344
135 HE2 LYS 15 2HE LYS 15 2.048 6.688 -4.965
136 HE3 LYS 15 1HE LYS 15 1.776 8.088 -3.928
137 HZ1 LYS 15 3HZ LYS 15 3.290 8.368 -5.943
138 HZ2 LYS 15 1HZ LYS 15 4.445 7.508 -5.047
139 HZ3 LYS 15 2HZ LYS 15 3.836 8.980 -4.455
140 H GLU 16 H GLU 16 4.874 4.977 1.025
141 HA GLU 16 HA GLU 16 7.548 5.063 1.905
142 HB2 GLU 16 2HB GLU 16 5.072 3.805 3.104
143 HB3 GLU 16 1HB GLU 16 6.623 3.864 3.941
144 HG2 GLU 16 2HG GLU 16 5.293 6.335 2.817
145 HG3 GLU 16 1HG GLU 16 5.000 5.769 4.460
146 H PHE 17 H PHE 17 5.443 2.379 0.989
147 HA PHE 17 HA PHE 17 7.062 0.215 1.640
148 HB2 PHE 17 2HB PHE 17 4.739 0.027 0.853
149 HB3 PHE 17 1HB PHE 17 5.248 0.513 -0.760
150 HD1 PHE 17 2HD PHE 17 6.696 -0.971 -2.114
151 HD2 PHE 17 1HD PHE 17 5.189 -2.152 1.727
152 HE1 PHE 17 2HE PHE 17 7.254 -3.331 -2.619
153 HE2 PHE 17 1HE PHE 17 5.742 -4.511 1.228
154 HZ PHE 17 HZ PHE 17 6.780 -5.106 -0.951
155 H LYS 18 H LYS 18 6.996 2.165 -1.344
156 HA LYS 18 HA LYS 18 8.958 0.666 -2.719
157 HB2 LYS 18 2HB LYS 18 7.311 2.738 -3.377
158 HB3 LYS 18 1HB LYS 18 8.861 3.571 -3.275
159 HG2 LYS 18 2HG LYS 18 8.863 2.852 -5.498
160 HG3 LYS 18 1HG LYS 18 9.731 1.537 -4.707
161 HD2 LYS 18 2HD LYS 18 7.484 0.360 -4.467
162 HD3 LYS 18 1HD LYS 18 6.822 1.594 -5.538
163 HE2 LYS 18 2HE LYS 18 7.400 -0.186 -6.989
164 HE3 LYS 18 1HE LYS 18 8.732 0.959 -7.153
165 HZ1 LYS 18 3HZ LYS 18 9.003 -1.654 -6.553
166 HZ2 LYS 18 1HZ LYS 18 9.065 -0.944 -5.013
167 HZ3 LYS 18 2HZ LYS 18 10.162 -0.457 -6.216
168 H ARG 19 H ARG 19 9.168 3.323 -0.421
169 HA ARG 19 HA ARG 19 12.022 3.658 -0.782
170 HB2 ARG 19 2HB ARG 19 10.082 4.757 1.265
171 HB3 ARG 19 1HB ARG 19 11.794 5.178 1.199
172 HG2 ARG 19 2HG ARG 19 11.410 5.862 -1.223
173 HG3 ARG 19 1HG ARG 19 9.682 5.700 -0.904
174 HD2 ARG 19 2HD ARG 19 11.638 7.676 0.231
175 HD3 ARG 19 1HD ARG 19 10.037 7.962 -0.449
176 HE ARG 19 HE ARG 19 9.552 6.445 1.784
177 HH11 ARG 19 1HH2 ARG 19 11.256 9.373 1.088
178 HH12 ARG 19 2HH2 ARG 19 10.965 10.076 2.644
179 HH21 ARG 19 1HH1 ARG 19 9.164 7.361 3.829
180 HH22 ARG 19 2HH1 ARG 19 9.779 8.939 4.194
181 H ILE 20 H ILE 20 9.887 2.390 1.772
182 HA ILE 20 HA ILE 20 11.900 1.561 3.533
183 HB ILE 20 HB ILE 20 9.220 1.683 3.678
184 HG12 ILE 20 2HG1 ILE 20 10.936 -0.235 5.278
185 HG13 ILE 20 1HG1 ILE 20 10.819 1.504 5.547
186 HG21 ILE 20 1HG2 ILE 20 8.167 -0.439 3.636
187 HG22 ILE 20 2HG2 ILE 20 9.707 -1.294 3.545
188 HG23 ILE 20 3HG2 ILE 20 9.122 -0.381 2.157
189 HD11 ILE 20 3HD1 ILE 20 8.329 1.204 5.849
190 HD12 ILE 20 1HD1 ILE 20 9.309 0.436 7.097
191 HD13 ILE 20 2HD1 ILE 20 8.600 -0.539 5.811
192 H VAL 21 H VAL 21 10.474 -0.017 0.731
193 HA VAL 21 HA VAL 21 12.030 -2.455 1.229
194 HB VAL 21 HB VAL 21 10.029 -1.789 -0.945
195 HG11 VAL 21 1HG1 VAL 21 11.558 -3.361 -1.866
196 HG12 VAL 21 2HG1 VAL 21 10.195 -4.324 -1.293
197 HG13 VAL 21 3HG1 VAL 21 11.681 -4.247 -0.347
198 HG21 VAL 21 3HG2 VAL 21 8.938 -3.838 0.422
199 HG22 VAL 21 1HG2 VAL 21 8.662 -2.160 0.885
200 HG23 VAL 21 2HG2 VAL 21 9.874 -3.121 1.731
201 H GLN 22 H GLN 22 14.132 -2.011 0.785
202 HA GLN 22 HA GLN 22 14.990 -0.423 -1.427
203 HB2 GLN 22 2HB GLN 22 16.747 -2.468 -0.108
204 HB3 GLN 22 1HB GLN 22 17.153 -0.848 -0.681
205 HG2 GLN 22 2HG GLN 22 15.592 0.044 1.122
206 HG3 GLN 22 1HG GLN 22 15.553 -1.593 1.775
207 HE21 GLN 22 1HE2 GLN 22 16.743 -1.104 3.718
208 HE22 GLN 22 2HE2 GLN 22 18.378 -0.648 3.688
209 H ARG 23 H ARG 23 13.301 -1.964 -2.694
210 HA ARG 23 HA ARG 23 13.017 -3.469 -4.408
211 HB2 ARG 23 2HB ARG 23 15.993 -2.978 -4.619
212 HB3 ARG 23 1HB ARG 23 15.064 -3.889 -5.810
213 HG2 ARG 23 2HG ARG 23 13.550 -1.878 -6.036
214 HG3 ARG 23 1HG ARG 23 14.689 -0.987 -5.025
215 HD2 ARG 23 2HD ARG 23 16.458 -1.269 -6.627
216 HD3 ARG 23 1HD ARG 23 15.506 -2.416 -7.566
217 HE ARG 23 HE ARG 23 13.985 -0.146 -7.586
218 HH11 ARG 23 1HH2 ARG 23 17.277 -0.916 -8.330
219 HH12 ARG 23 2HH2 ARG 23 17.428 0.302 -9.553
220 HH21 ARG 23 1HH1 ARG 23 14.183 1.459 -9.180
221 HH22 ARG 23 2HH1 ARG 23 15.678 1.646 -10.033
Start of MODEL 3
1 H1 LEU 1 1HT LEU 1 -16.928 -0.830 4.003
2 H2 LEU 1 2HT LEU 1 -18.353 0.041 3.695
3 H3 LEU 1 3HT LEU 1 -17.459 0.342 5.107
4 HA LEU 1 HA LEU 1 -16.706 0.978 2.314
5 HB2 LEU 1 2HB LEU 1 -18.222 2.499 3.752
6 HB3 LEU 1 1HB LEU 1 -16.782 2.790 4.729
7 HG LEU 1 HG LEU 1 -15.673 3.270 2.362
8 HD11 LEU 1 2HD1 LEU 1 -18.526 4.134 1.848
9 HD12 LEU 1 3HD1 LEU 1 -17.878 2.618 1.226
10 HD13 LEU 1 1HD1 LEU 1 -17.168 4.152 0.724
11 HD21 LEU 1 1HD2 LEU 1 -17.530 5.177 3.821
12 HD22 LEU 1 2HD2 LEU 1 -16.313 5.673 2.645
13 HD23 LEU 1 3HD2 LEU 1 -15.818 4.916 4.158
14 H LEU 2 H LEU 2 -15.253 -0.984 3.745
15 HA LEU 2 HA LEU 2 -12.948 0.313 4.961
16 HB2 LEU 2 2HB LEU 2 -13.710 -1.816 5.859
17 HB3 LEU 2 1HB LEU 2 -13.487 -2.586 4.292
18 HG LEU 2 HG LEU 2 -11.120 -1.122 5.133
19 HD11 LEU 2 1HD1 LEU 2 -12.052 -3.420 6.874
20 HD12 LEU 2 2HD1 LEU 2 -11.851 -1.746 7.391
21 HD13 LEU 2 3HD1 LEU 2 -10.443 -2.700 6.924
22 HD21 LEU 2 3HD2 LEU 2 -11.565 -4.042 4.502
23 HD22 LEU 2 1HD2 LEU 2 -10.015 -3.201 4.518
24 HD23 LEU 2 2HD2 LEU 2 -11.231 -2.787 3.309
25 H GLY 3 H GLY 3 -13.457 -1.884 2.256
26 HA2 GLY 3 2HA GLY 3 -11.075 -2.067 1.047
27 HA3 GLY 3 1HA GLY 3 -12.534 -1.805 0.095
28 H ASP 4 H ASP 4 -13.065 0.850 1.123
29 HA ASP 4 HA ASP 4 -11.522 2.400 -0.687
30 HB2 ASP 4 2HB ASP 4 -13.838 2.957 0.209
31 HB3 ASP 4 1HB ASP 4 -13.045 3.457 1.701
32 H PHE 5 H PHE 5 -11.369 1.823 2.789
33 HA PHE 5 HA PHE 5 -9.372 3.654 3.498
34 HB2 PHE 5 2HB PHE 5 -9.925 2.709 5.469
35 HB3 PHE 5 1HB PHE 5 -10.653 1.330 4.676
36 HD1 PHE 5 2HD PHE 5 -9.222 -0.661 4.072
37 HD2 PHE 5 1HD PHE 5 -7.738 2.626 6.406
38 HE1 PHE 5 2HE PHE 5 -7.319 -2.052 4.836
39 HE2 PHE 5 1HE PHE 5 -5.835 1.232 7.164
40 HZ PHE 5 HZ PHE 5 -5.625 -1.109 6.377
41 H PHE 6 H PHE 6 -9.131 0.273 2.472
42 HA PHE 6 HA PHE 6 -6.378 -0.026 2.547
43 HB2 PHE 6 2HB PHE 6 -8.614 -1.314 1.116
44 HB3 PHE 6 1HB PHE 6 -7.051 -1.492 0.326
45 HD1 PHE 6 1HD PHE 6 -5.095 -1.768 2.388
46 HD2 PHE 6 2HD PHE 6 -9.148 -3.196 2.357
47 HE1 PHE 6 1HE PHE 6 -4.476 -3.552 3.990
48 HE2 PHE 6 2HE PHE 6 -8.527 -4.981 3.965
49 HZ PHE 6 HZ PHE 6 -6.193 -5.159 4.782
50 H ARG 7 H ARG 7 -8.373 1.150 -0.168
51 HA ARG 7 HA ARG 7 -6.380 1.528 -2.053
52 HB2 ARG 7 2HB ARG 7 -8.993 2.871 -1.492
53 HB3 ARG 7 1HB ARG 7 -7.906 3.631 -2.654
54 HG2 ARG 7 2HG ARG 7 -7.782 1.525 -3.928
55 HG3 ARG 7 1HG ARG 7 -8.861 0.753 -2.766
56 HD2 ARG 7 2HD ARG 7 -10.308 2.981 -3.420
57 HD3 ARG 7 1HD ARG 7 -9.488 2.660 -4.943
58 HE ARG 7 HE ARG 7 -11.734 1.323 -4.128
59 HH11 ARG 7 1HH2 ARG 7 -8.457 0.412 -4.811
60 HH12 ARG 7 2HH2 ARG 7 -8.860 -1.222 -5.213
61 HH21 ARG 7 1HH1 ARG 7 -12.253 -0.810 -4.666
62 HH22 ARG 7 2HH1 ARG 7 -11.002 -1.911 -5.135
63 H LYS 8 H LYS 8 -7.324 3.628 0.639
64 HA LYS 8 HA LYS 8 -5.488 5.722 -0.045
65 HB2 LYS 8 2HB LYS 8 -6.993 5.061 2.495
66 HB3 LYS 8 1HB LYS 8 -5.951 6.475 2.327
67 HG2 LYS 8 2HG LYS 8 -7.319 7.423 0.636
68 HG3 LYS 8 1HG LYS 8 -8.163 5.901 0.354
69 HD2 LYS 8 2HD LYS 8 -9.570 7.468 1.647
70 HD3 LYS 8 1HD LYS 8 -9.175 6.036 2.598
71 HE2 LYS 8 2HE LYS 8 -8.920 8.297 3.783
72 HE3 LYS 8 1HE LYS 8 -7.539 7.204 3.873
73 HZ1 LYS 8 3HZ LYS 8 -6.286 8.552 2.623
74 HZ2 LYS 8 1HZ LYS 8 -7.402 9.753 3.059
75 HZ3 LYS 8 2HZ LYS 8 -7.559 8.951 1.570
76 H SER 9 H SER 9 -5.411 2.904 2.085
77 HA SER 9 HA SER 9 -2.863 3.536 3.241
78 HB2 SER 9 2HB SER 9 -4.050 0.774 3.100
79 HB3 SER 9 1HB SER 9 -3.024 1.467 4.351
80 HG SER 9 HG SER 9 -5.321 1.351 4.850
81 H LYS 10 H LYS 10 -3.932 1.178 0.783
82 HA LYS 10 HA LYS 10 -1.498 0.039 0.156
83 HB2 LYS 10 2HB LYS 10 -4.077 0.387 -1.209
84 HB3 LYS 10 1HB LYS 10 -2.719 0.266 -2.324
85 HG2 LYS 10 2HG LYS 10 -3.515 -1.972 -1.917
86 HG3 LYS 10 1HG LYS 10 -1.984 -1.803 -1.060
87 HD2 LYS 10 2HD LYS 10 -3.239 -1.282 1.022
88 HD3 LYS 10 1HD LYS 10 -4.749 -1.543 0.149
89 HE2 LYS 10 2HE LYS 10 -2.607 -3.665 0.216
90 HE3 LYS 10 1HE LYS 10 -3.795 -3.529 1.511
91 HZ1 LYS 10 3HZ LYS 10 -5.478 -3.492 -0.417
92 HZ2 LYS 10 1HZ LYS 10 -4.799 -4.976 0.046
93 HZ3 LYS 10 2HZ LYS 10 -4.218 -4.171 -1.333
94 H GLU 11 H GLU 11 -2.887 3.090 -1.011
95 HA GLU 11 HA GLU 11 -0.714 3.685 -2.781
96 HB2 GLU 11 2HB GLU 11 -3.088 5.147 -1.725
97 HB3 GLU 11 1HB GLU 11 -1.761 6.103 -2.386
98 HG2 GLU 11 2HG GLU 11 -3.104 5.698 -4.263
99 HG3 GLU 11 1HG GLU 11 -1.872 4.458 -4.402
100 H LYS 12 H LYS 12 -1.523 4.475 0.560
101 HA LYS 12 HA LYS 12 0.600 6.312 0.996
102 HB2 LYS 12 2HB LYS 12 -1.442 6.072 2.438
103 HB3 LYS 12 1HB LYS 12 -0.779 4.559 3.042
104 HG2 LYS 12 2HG LYS 12 0.965 6.997 3.138
105 HG3 LYS 12 1HG LYS 12 -0.343 6.869 4.311
106 HD2 LYS 12 2HD LYS 12 0.567 4.490 4.783
107 HD3 LYS 12 1HD LYS 12 2.016 5.022 3.932
108 HE2 LYS 12 2HE LYS 12 2.179 6.960 5.487
109 HE3 LYS 12 1HE LYS 12 0.791 6.331 6.375
110 HZ1 LYS 12 3HZ LYS 12 2.042 4.804 7.373
111 HZ2 LYS 12 1HZ LYS 12 3.387 5.691 6.839
112 HZ3 LYS 12 2HZ LYS 12 2.833 4.365 5.934
113 H ILE 13 H ILE 13 0.247 2.823 1.681
114 HA ILE 13 HA ILE 13 2.844 2.468 2.732
115 HB ILE 13 HB ILE 13 0.716 0.671 1.603
116 HG12 ILE 13 2HG1 ILE 13 1.025 -0.302 3.979
117 HG13 ILE 13 1HG1 ILE 13 1.957 1.156 4.314
118 HG21 ILE 13 1HG2 ILE 13 2.207 -1.241 2.333
119 HG22 ILE 13 2HG2 ILE 13 3.527 -0.076 2.386
120 HG23 ILE 13 3HG2 ILE 13 2.707 -0.411 0.860
121 HD11 ILE 13 3HD1 ILE 13 -0.364 1.492 4.986
122 HD12 ILE 13 1HD1 ILE 13 -0.921 1.032 3.379
123 HD13 ILE 13 2HD1 ILE 13 -0.001 2.519 3.604
124 H GLY 14 H GLY 14 1.432 2.179 -0.503
125 HA2 GLY 14 2HA GLY 14 3.483 0.969 -1.891
126 HA3 GLY 14 1HA GLY 14 2.428 2.198 -2.585
127 H LYS 15 H LYS 15 3.105 4.451 -1.220
128 HA LYS 15 HA LYS 15 5.559 5.191 -2.457
129 HB2 LYS 15 2HB LYS 15 3.556 6.503 -0.680
130 HB3 LYS 15 1HB LYS 15 5.168 7.216 -0.725
131 HG2 LYS 15 2HG LYS 15 3.769 8.266 -2.429
132 HG3 LYS 15 1HG LYS 15 5.024 7.306 -3.213
133 HD2 LYS 15 2HD LYS 15 3.400 5.432 -3.454
134 HD3 LYS 15 1HD LYS 15 2.147 6.458 -2.753
135 HE2 LYS 15 2HE LYS 15 3.732 7.215 -5.220
136 HE3 LYS 15 1HE LYS 15 2.166 6.405 -5.282
137 HZ1 LYS 15 3HZ LYS 15 1.715 8.686 -5.448
138 HZ2 LYS 15 1HZ LYS 15 2.794 9.087 -4.202
139 HZ3 LYS 15 2HZ LYS 15 1.341 8.283 -3.840
140 H GLU 16 H GLU 16 4.678 4.923 1.001
141 HA GLU 16 HA GLU 16 7.263 5.262 2.025
142 HB2 GLU 16 2HB GLU 16 4.925 3.654 3.089
143 HB3 GLU 16 1HB GLU 16 6.399 3.965 4.005
144 HG2 GLU 16 2HG GLU 16 5.966 6.458 3.510
145 HG3 GLU 16 1HG GLU 16 4.346 5.954 3.037
146 H PHE 17 H PHE 17 5.514 2.325 1.060
147 HA PHE 17 HA PHE 17 7.399 0.397 1.730
148 HB2 PHE 17 2HB PHE 17 5.124 -0.070 0.870
149 HB3 PHE 17 1HB PHE 17 5.637 0.444 -0.732
150 HD1 PHE 17 1HD PHE 17 6.721 -1.843 2.025
151 HD2 PHE 17 2HD PHE 17 6.372 -1.206 -2.206
152 HE1 PHE 17 1HE PHE 17 7.564 -4.135 1.616
153 HE2 PHE 17 2HE PHE 17 7.218 -3.499 -2.619
154 HZ PHE 17 HZ PHE 17 7.817 -4.966 -0.709
155 H LYS 18 H LYS 18 7.042 2.096 -1.399
156 HA LYS 18 HA LYS 18 9.223 0.973 -2.697
157 HB2 LYS 18 2HB LYS 18 7.372 2.855 -3.348
158 HB3 LYS 18 1HB LYS 18 8.805 3.866 -3.184
159 HG2 LYS 18 2HG LYS 18 8.973 3.219 -5.415
160 HG3 LYS 18 1HG LYS 18 9.942 1.970 -4.632
161 HD2 LYS 18 2HD LYS 18 7.963 0.480 -4.584
162 HD3 LYS 18 1HD LYS 18 7.016 1.724 -5.400
163 HE2 LYS 18 2HE LYS 18 8.668 1.660 -7.288
164 HE3 LYS 18 1HE LYS 18 9.457 0.297 -6.493
165 HZ1 LYS 18 3HZ LYS 18 8.006 -0.974 -7.562
166 HZ2 LYS 18 1HZ LYS 18 7.060 0.349 -8.041
167 HZ3 LYS 18 2HZ LYS 18 6.809 -0.366 -6.520
168 H ARG 19 H ARG 19 9.127 3.451 -0.236
169 HA ARG 19 HA ARG 19 11.962 4.088 -0.567
170 HB2 ARG 19 2HB ARG 19 9.882 5.090 1.394
171 HB3 ARG 19 1HB ARG 19 11.549 5.664 1.315
172 HG2 ARG 19 2HG ARG 19 11.088 6.166 -1.160
173 HG3 ARG 19 1HG ARG 19 9.382 5.939 -0.772
174 HD2 ARG 19 2HD ARG 19 10.176 7.614 1.249
175 HD3 ARG 19 1HD ARG 19 11.195 8.172 -0.074
176 HE ARG 19 HE ARG 19 8.575 8.907 0.224
177 HH11 ARG 19 1HH2 ARG 19 10.358 7.142 -2.173
178 HH12 ARG 19 2HH2 ARG 19 9.265 7.530 -3.457
179 HH21 ARG 19 1HH1 ARG 19 7.158 9.418 -1.461
180 HH22 ARG 19 2HH1 ARG 19 7.460 8.816 -3.056
181 H ILE 20 H ILE 20 9.856 2.171 1.445
182 HA ILE 20 HA ILE 20 11.794 1.738 3.526
183 HB ILE 20 HB ILE 20 9.063 1.455 3.333
184 HG12 ILE 20 2HG1 ILE 20 10.915 0.129 5.329
185 HG13 ILE 20 1HG1 ILE 20 10.411 1.818 5.358
186 HG21 ILE 20 1HG2 ILE 20 10.189 -1.350 3.543
187 HG22 ILE 20 2HG2 ILE 20 9.418 -0.712 2.090
188 HG23 ILE 20 3HG2 ILE 20 8.493 -0.871 3.580
189 HD11 ILE 20 3HD1 ILE 20 8.646 -0.621 5.673
190 HD12 ILE 20 1HD1 ILE 20 8.017 1.011 5.448
191 HD13 ILE 20 2HD1 ILE 20 8.972 0.623 6.880
192 H VAL 21 H VAL 21 10.757 0.080 0.612
193 HA VAL 21 HA VAL 21 12.838 -1.978 1.074
194 HB VAL 21 HB VAL 21 10.619 -2.954 0.995
195 HG11 VAL 21 1HG1 VAL 21 9.643 -2.651 -1.564
196 HG12 VAL 21 2HG1 VAL 21 10.286 -1.045 -1.236
197 HG13 VAL 21 3HG1 VAL 21 9.078 -1.746 -0.163
198 HG21 VAL 21 3HG2 VAL 21 11.126 -4.661 -0.497
199 HG22 VAL 21 1HG2 VAL 21 12.706 -3.896 -0.347
200 HG23 VAL 21 2HG2 VAL 21 11.689 -3.552 -1.745
201 H GLN 22 H GLN 22 14.250 -0.177 0.202
202 HA GLN 22 HA GLN 22 14.053 0.255 -2.681
203 HB2 GLN 22 2HB GLN 22 16.314 1.204 -0.936
204 HB3 GLN 22 1HB GLN 22 15.668 1.932 -2.407
205 HG2 GLN 22 2HG GLN 22 13.477 2.229 -1.078
206 HG3 GLN 22 1HG GLN 22 14.451 1.898 0.353
207 HE21 GLN 22 1HE2 GLN 22 13.949 4.218 -2.289
208 HE22 GLN 22 2HE2 GLN 22 14.865 5.465 -1.592
209 H ARG 23 H ARG 23 14.379 -2.023 -3.220
210 HA ARG 23 HA ARG 23 16.670 -3.502 -2.564
211 HB2 ARG 23 2HB ARG 23 14.931 -3.574 -5.039
212 HB3 ARG 23 1HB ARG 23 16.156 -4.783 -4.654
213 HG2 ARG 23 2HG ARG 23 13.858 -4.053 -2.816
214 HG3 ARG 23 1HG ARG 23 13.834 -5.424 -3.925
215 HD2 ARG 23 2HD ARG 23 16.232 -5.797 -2.624
216 HD3 ARG 23 1HD ARG 23 15.234 -5.117 -1.343
217 HE ARG 23 HE ARG 23 15.139 -7.750 -2.109
218 HH11 ARG 23 1HH2 ARG 23 12.882 -5.116 -2.091
219 HH12 ARG 23 2HH2 ARG 23 11.491 -6.139 -1.992
220 HH21 ARG 23 1HH1 ARG 23 13.318 -9.081 -1.972
221 HH22 ARG 23 2HH1 ARG 23 11.735 -8.378 -1.923
Start of MODEL 4
1 H1 LEU 1 1HT LEU 1 -17.528 2.094 3.766
2 H2 LEU 1 2HT LEU 1 -17.001 1.773 2.183
3 H3 LEU 1 3HT LEU 1 -15.938 2.470 3.311
4 HA LEU 1 HA LEU 1 -16.770 0.171 4.530
5 HB2 LEU 1 2HB LEU 1 -16.449 -0.149 1.548
6 HB3 LEU 1 1HB LEU 1 -16.052 -1.471 2.645
7 HG LEU 1 HG LEU 1 -18.297 -1.499 3.536
8 HD11 LEU 1 2HD1 LEU 1 -18.623 1.021 1.896
9 HD12 LEU 1 3HD1 LEU 1 -18.872 0.814 3.629
10 HD13 LEU 1 1HD1 LEU 1 -20.006 0.098 2.483
11 HD21 LEU 1 1HD2 LEU 1 -18.487 -1.176 0.526
12 HD22 LEU 1 2HD2 LEU 1 -19.546 -2.140 1.555
13 HD23 LEU 1 3HD2 LEU 1 -17.865 -2.620 1.324
14 H LEU 2 H LEU 2 -14.844 -1.379 4.650
15 HA LEU 2 HA LEU 2 -12.506 0.081 5.272
16 HB2 LEU 2 2HB LEU 2 -13.038 -2.045 6.338
17 HB3 LEU 2 1HB LEU 2 -12.843 -2.884 4.805
18 HG LEU 2 HG LEU 2 -10.563 -1.191 5.365
19 HD11 LEU 2 1HD1 LEU 2 -11.235 -3.332 7.402
20 HD12 LEU 2 2HD1 LEU 2 -11.051 -1.606 7.716
21 HD13 LEU 2 3HD1 LEU 2 -9.654 -2.570 7.241
22 HD21 LEU 2 3HD2 LEU 2 -9.333 -3.159 4.794
23 HD22 LEU 2 1HD2 LEU 2 -10.751 -3.107 3.748
24 HD23 LEU 2 2HD2 LEU 2 -10.718 -4.194 5.137
25 H GLY 3 H GLY 3 -13.053 -2.306 2.741
26 HA2 GLY 3 2HA GLY 3 -10.764 -2.391 1.356
27 HA3 GLY 3 1HA GLY 3 -12.308 -2.290 0.512
28 H ASP 4 H ASP 4 -12.956 0.378 1.437
29 HA ASP 4 HA ASP 4 -11.687 1.925 -0.573
30 HB2 ASP 4 2HB ASP 4 -13.147 2.905 1.894
31 HB3 ASP 4 1HB ASP 4 -12.838 3.827 0.425
32 H PHE 5 H PHE 5 -11.203 1.588 2.910
33 HA PHE 5 HA PHE 5 -9.282 3.575 3.337
34 HB2 PHE 5 2HB PHE 5 -9.580 2.705 5.395
35 HB3 PHE 5 1HB PHE 5 -10.283 1.242 4.742
36 HD1 PHE 5 1HD PHE 5 -8.777 -0.679 4.088
37 HD2 PHE 5 2HD PHE 5 -7.314 2.810 6.123
38 HE1 PHE 5 1HE PHE 5 -6.716 -1.906 4.718
39 HE2 PHE 5 2HE PHE 5 -5.253 1.583 6.748
40 HZ PHE 5 HZ PHE 5 -4.954 -0.776 6.045
41 H PHE 6 H PHE 6 -8.914 0.178 2.431
42 HA PHE 6 HA PHE 6 -6.160 0.004 2.331
43 HB2 PHE 6 2HB PHE 6 -8.413 -1.408 1.064
44 HB3 PHE 6 1HB PHE 6 -6.897 -1.527 0.175
45 HD1 PHE 6 1HD PHE 6 -4.777 -1.748 1.964
46 HD2 PHE 6 2HD PHE 6 -8.787 -3.182 2.514
47 HE1 PHE 6 1HE PHE 6 -3.948 -3.446 3.574
48 HE2 PHE 6 2HE PHE 6 -7.959 -4.884 4.123
49 HZ PHE 6 HZ PHE 6 -5.540 -5.012 4.653
50 H ARG 7 H ARG 7 -8.339 1.031 -0.302
51 HA ARG 7 HA ARG 7 -6.445 1.473 -2.276
52 HB2 ARG 7 2HB ARG 7 -8.978 3.001 -1.639
53 HB3 ARG 7 1HB ARG 7 -8.026 3.271 -3.100
54 HG2 ARG 7 2HG ARG 7 -8.246 0.787 -3.574
55 HG3 ARG 7 1HG ARG 7 -9.415 0.716 -2.254
56 HD2 ARG 7 2HD ARG 7 -9.640 2.505 -4.691
57 HD3 ARG 7 1HD ARG 7 -10.527 1.000 -4.452
58 HE ARG 7 HE ARG 7 -11.145 2.462 -2.232
59 HH11 ARG 7 1HH2 ARG 7 -11.220 3.024 -5.646
60 HH12 ARG 7 2HH2 ARG 7 -12.572 4.105 -5.578
61 HH21 ARG 7 1HH1 ARG 7 -12.918 3.878 -2.135
62 HH22 ARG 7 2HH1 ARG 7 -13.533 4.588 -3.591
63 H LYS 8 H LYS 8 -7.592 3.775 0.185
64 HA LYS 8 HA LYS 8 -5.780 5.846 -0.535
65 HB2 LYS 8 2HB LYS 8 -7.902 6.155 0.771
66 HB3 LYS 8 1HB LYS 8 -7.107 5.393 2.147
67 HG2 LYS 8 2HG LYS 8 -5.284 7.150 1.924
68 HG3 LYS 8 1HG LYS 8 -6.335 7.976 0.773
69 HD2 LYS 8 2HD LYS 8 -8.130 8.018 2.518
70 HD3 LYS 8 1HD LYS 8 -6.978 7.329 3.664
71 HE2 LYS 8 2HE LYS 8 -6.853 10.021 2.294
72 HE3 LYS 8 1HE LYS 8 -6.895 9.685 4.025
73 HZ1 LYS 8 3HZ LYS 8 -4.684 9.923 3.837
74 HZ2 LYS 8 1HZ LYS 8 -4.667 9.591 2.174
75 HZ3 LYS 8 2HZ LYS 8 -4.732 8.315 3.292
76 H SER 9 H SER 9 -5.659 3.182 1.778
77 HA SER 9 HA SER 9 -3.228 4.034 3.030
78 HB2 SER 9 2HB SER 9 -4.262 1.206 2.981
79 HB3 SER 9 1HB SER 9 -3.323 2.008 4.236
80 HG SER 9 HG SER 9 -5.083 2.998 4.934
81 H LYS 10 H LYS 10 -3.976 1.466 0.652
82 HA LYS 10 HA LYS 10 -1.409 0.488 0.289
83 HB2 LYS 10 2HB LYS 10 -3.875 0.569 -1.360
84 HB3 LYS 10 1HB LYS 10 -2.375 0.264 -2.233
85 HG2 LYS 10 2HG LYS 10 -1.906 -1.689 -0.996
86 HG3 LYS 10 1HG LYS 10 -3.025 -1.249 0.294
87 HD2 LYS 10 2HD LYS 10 -4.915 -1.823 -0.970
88 HD3 LYS 10 1HD LYS 10 -4.048 -1.708 -2.500
89 HE2 LYS 10 2HE LYS 10 -2.829 -3.734 -2.052
90 HE3 LYS 10 1HE LYS 10 -3.424 -3.792 -0.394
91 HZ1 LYS 10 3HZ LYS 10 -5.619 -3.631 -2.125
92 HZ2 LYS 10 1HZ LYS 10 -5.184 -4.906 -1.094
93 HZ3 LYS 10 2HZ LYS 10 -4.599 -4.867 -2.689
94 H GLU 11 H GLU 11 -2.900 3.394 -1.057
95 HA GLU 11 HA GLU 11 -0.795 4.000 -2.883
96 HB2 GLU 11 2HB GLU 11 -2.966 5.651 -1.590
97 HB3 GLU 11 1HB GLU 11 -1.769 6.368 -2.671
98 HG2 GLU 11 2HG GLU 11 -2.419 4.845 -4.464
99 HG3 GLU 11 1HG GLU 11 -3.547 4.020 -3.390
100 H LYS 12 H LYS 12 -1.584 5.271 0.360
101 HA LYS 12 HA LYS 12 0.686 6.886 0.677
102 HB2 LYS 12 2HB LYS 12 -1.332 6.873 2.176
103 HB3 LYS 12 1HB LYS 12 -0.741 5.364 2.872
104 HG2 LYS 12 2HG LYS 12 1.296 6.443 3.629
105 HG3 LYS 12 1HG LYS 12 0.861 7.935 2.795
106 HD2 LYS 12 2HD LYS 12 -1.216 8.031 4.231
107 HD3 LYS 12 1HD LYS 12 -0.558 6.683 5.160
108 HE2 LYS 12 2HE LYS 12 0.901 9.303 4.720
109 HE3 LYS 12 1HE LYS 12 -0.051 8.933 6.159
110 HZ1 LYS 12 3HZ LYS 12 2.080 7.109 5.248
111 HZ2 LYS 12 1HZ LYS 12 1.407 7.271 6.796
112 HZ3 LYS 12 2HZ LYS 12 2.453 8.468 6.197
113 H ILE 13 H ILE 13 0.123 3.491 1.615
114 HA ILE 13 HA ILE 13 2.699 3.026 2.658
115 HB ILE 13 HB ILE 13 0.422 1.336 1.667
116 HG12 ILE 13 2HG1 ILE 13 0.857 0.407 4.078
117 HG13 ILE 13 1HG1 ILE 13 1.809 1.874 4.289
118 HG21 ILE 13 1HG2 ILE 13 3.222 0.415 2.286
119 HG22 ILE 13 2HG2 ILE 13 2.250 0.063 0.855
120 HG23 ILE 13 3HG2 ILE 13 1.828 -0.657 2.408
121 HD11 ILE 13 3HD1 ILE 13 -0.459 2.300 5.045
122 HD12 ILE 13 1HD1 ILE 13 -1.116 1.713 3.519
123 HD13 ILE 13 2HD1 ILE 13 -0.180 3.207 3.561
124 H GLY 14 H GLY 14 1.294 2.909 -0.562
125 HA2 GLY 14 2HA GLY 14 3.162 1.446 -1.973
126 HA3 GLY 14 1HA GLY 14 2.309 2.838 -2.636
127 H LYS 15 H LYS 15 3.284 4.889 -1.089
128 HA LYS 15 HA LYS 15 5.825 5.369 -2.292
129 HB2 LYS 15 2HB LYS 15 4.091 6.815 -0.315
130 HB3 LYS 15 1HB LYS 15 5.758 7.342 -0.543
131 HG2 LYS 15 2HG LYS 15 4.181 8.555 -2.038
132 HG3 LYS 15 1HG LYS 15 5.372 7.621 -2.946
133 HD2 LYS 15 2HD LYS 15 3.789 5.873 -3.392
134 HD3 LYS 15 1HD LYS 15 2.624 6.556 -2.258
135 HE2 LYS 15 2HE LYS 15 2.232 8.456 -3.666
136 HE3 LYS 15 1HE LYS 15 3.604 8.053 -4.699
137 HZ1 LYS 15 3HZ LYS 15 1.284 6.245 -4.343
138 HZ2 LYS 15 1HZ LYS 15 2.494 6.169 -5.530
139 HZ3 LYS 15 2HZ LYS 15 1.348 7.422 -5.567
140 H GLU 16 H GLU 16 4.878 4.969 1.134
141 HA GLU 16 HA GLU 16 7.484 4.878 2.183
142 HB2 GLU 16 2HB GLU 16 4.946 3.537 3.156
143 HB3 GLU 16 1HB GLU 16 6.432 3.667 4.095
144 HG2 GLU 16 2HG GLU 16 6.312 6.162 3.814
145 HG3 GLU 16 1HG GLU 16 4.732 5.950 3.060
146 H PHE 17 H PHE 17 5.332 2.300 1.049
147 HA PHE 17 HA PHE 17 6.793 0.038 1.612
148 HB2 PHE 17 2HB PHE 17 4.559 0.119 0.485
149 HB3 PHE 17 1HB PHE 17 5.381 0.581 -1.000
150 HD1 PHE 17 1HD PHE 17 5.151 -2.053 1.588
151 HD2 PHE 17 2HD PHE 17 6.438 -1.037 -2.378
152 HE1 PHE 17 1HE PHE 17 5.590 -4.449 1.126
153 HE2 PHE 17 2HE PHE 17 6.880 -3.435 -2.845
154 HZ PHE 17 HZ PHE 17 6.458 -5.143 -1.094
155 H LYS 18 H LYS 18 7.213 2.293 -1.096
156 HA LYS 18 HA LYS 18 9.305 0.816 -2.350
157 HB2 LYS 18 2HB LYS 18 7.781 3.079 -2.920
158 HB3 LYS 18 1HB LYS 18 9.416 3.715 -2.744
159 HG2 LYS 18 2HG LYS 18 9.263 3.113 -5.033
160 HG3 LYS 18 1HG LYS 18 10.139 1.778 -4.291
161 HD2 LYS 18 2HD LYS 18 8.274 0.346 -4.361
162 HD3 LYS 18 1HD LYS 18 7.137 1.681 -4.538
163 HE2 LYS 18 2HE LYS 18 7.661 0.278 -6.644
164 HE3 LYS 18 1HE LYS 18 7.719 2.035 -6.799
165 HZ1 LYS 18 3HZ LYS 18 9.736 1.618 -7.652
166 HZ2 LYS 18 1HZ LYS 18 9.863 0.093 -6.922
167 HZ3 LYS 18 2HZ LYS 18 10.217 1.493 -6.028
168 H ARG 19 H ARG 19 9.345 3.707 -0.250
169 HA ARG 19 HA ARG 19 12.120 3.948 -0.001
170 HB2 ARG 19 2HB ARG 19 9.751 4.779 1.595
171 HB3 ARG 19 1HB ARG 19 11.289 4.746 2.455
172 HG2 ARG 19 2HG ARG 19 11.162 6.050 -0.251
173 HG3 ARG 19 1HG ARG 19 10.549 6.923 1.153
174 HD2 ARG 19 2HD ARG 19 13.286 5.643 1.119
175 HD3 ARG 19 1HD ARG 19 13.014 7.300 0.588
176 HE ARG 19 HE ARG 19 11.844 7.211 3.056
177 HH11 ARG 19 1HH2 ARG 19 14.944 6.372 1.762
178 HH12 ARG 19 2HH2 ARG 19 15.805 6.740 3.218
179 HH21 ARG 19 1HH1 ARG 19 12.969 7.698 4.970
180 HH22 ARG 19 2HH1 ARG 19 14.688 7.491 5.034
181 H ILE 20 H ILE 20 9.875 1.683 1.347
182 HA ILE 20 HA ILE 20 11.816 0.620 3.246
183 HB ILE 20 HB ILE 20 9.025 0.824 3.209
184 HG12 ILE 20 2HG1 ILE 20 10.786 -0.910 4.954
185 HG13 ILE 20 1HG1 ILE 20 10.531 0.822 5.154
186 HG21 ILE 20 1HG2 ILE 20 8.181 -1.443 3.330
187 HG22 ILE 20 2HG2 ILE 20 9.792 -2.104 3.060
188 HG23 ILE 20 3HG2 ILE 20 8.972 -1.228 1.774
189 HD11 ILE 20 3HD1 ILE 20 8.506 -1.399 5.464
190 HD12 ILE 20 1HD1 ILE 20 8.028 0.290 5.283
191 HD13 ILE 20 2HD1 ILE 20 9.003 -0.207 6.666
192 H VAL 21 H VAL 21 10.346 -0.115 0.166
193 HA VAL 21 HA VAL 21 11.764 -2.692 0.052
194 HB VAL 21 HB VAL 21 9.562 -1.547 -1.681
195 HG11 VAL 21 1HG1 VAL 21 10.615 -2.882 -3.243
196 HG12 VAL 21 2HG1 VAL 21 9.663 -4.121 -2.430
197 HG13 VAL 21 3HG1 VAL 21 11.365 -3.908 -2.021
198 HG21 VAL 21 3HG2 VAL 21 9.629 -3.177 0.742
199 HG22 VAL 21 1HG2 VAL 21 8.823 -4.025 -0.575
200 HG23 VAL 21 2HG2 VAL 21 8.245 -2.441 -0.064
201 H GLN 22 H GLN 22 12.804 0.140 -0.292
202 HA GLN 22 HA GLN 22 14.038 -0.207 -2.960
203 HB2 GLN 22 2HB GLN 22 13.483 2.258 -1.312
204 HB3 GLN 22 1HB GLN 22 14.666 2.268 -2.619
205 HG2 GLN 22 2HG GLN 22 11.986 1.099 -3.222
206 HG3 GLN 22 1HG GLN 22 12.076 2.851 -3.044
207 HE21 GLN 22 1HE2 GLN 22 12.191 0.523 -5.381
208 HE22 GLN 22 2HE2 GLN 22 13.205 1.290 -6.505
209 H ARG 23 H ARG 23 14.634 -1.361 -0.270
210 HA ARG 23 HA ARG 23 17.512 -1.066 -0.415
211 HB2 ARG 23 2HB ARG 23 17.464 -0.589 2.191
212 HB3 ARG 23 1HB ARG 23 17.386 0.737 1.031
213 HG2 ARG 23 2HG ARG 23 15.078 1.039 1.330
214 HG3 ARG 23 1HG ARG 23 14.854 -0.579 1.992
215 HD2 ARG 23 2HD ARG 23 16.626 1.336 3.467
216 HD3 ARG 23 1HD ARG 23 14.880 1.538 3.587
217 HE ARG 23 HE ARG 23 15.256 -1.121 4.089
218 HH11 ARG 23 1HH2 ARG 23 16.565 1.834 5.323
219 HH12 ARG 23 2HH2 ARG 23 16.831 1.212 6.917
220 HH21 ARG 23 1HH1 ARG 23 15.599 -1.945 6.176
221 HH22 ARG 23 2HH1 ARG 23 16.283 -0.929 7.401
Start of MODEL 5
1 H1 LEU 1 1HT LEU 1 -18.207 0.531 4.645
2 H2 LEU 1 2HT LEU 1 -18.143 2.222 4.491
3 H3 LEU 1 3HT LEU 1 -16.956 1.402 5.388
4 HA LEU 1 HA LEU 1 -17.025 0.304 2.809
5 HB2 LEU 1 2HB LEU 1 -17.369 3.241 3.004
6 HB3 LEU 1 1HB LEU 1 -16.049 2.723 1.959
7 HG LEU 1 HG LEU 1 -18.236 2.974 0.758
8 HD11 LEU 1 2HD1 LEU 1 -17.759 1.232 -0.655
9 HD12 LEU 1 3HD1 LEU 1 -17.679 0.047 0.648
10 HD13 LEU 1 1HD1 LEU 1 -16.315 1.124 0.347
11 HD21 LEU 1 1HD2 LEU 1 -19.446 1.981 2.899
12 HD22 LEU 1 2HD2 LEU 1 -19.175 0.443 2.076
13 HD23 LEU 1 3HD2 LEU 1 -20.114 1.712 1.289
14 H LEU 2 H LEU 2 -15.377 -0.871 3.821
15 HA LEU 2 HA LEU 2 -13.076 0.508 4.949
16 HB2 LEU 2 2HB LEU 2 -13.823 -1.578 5.956
17 HB3 LEU 2 1HB LEU 2 -13.582 -2.427 4.435
18 HG LEU 2 HG LEU 2 -11.229 -0.904 5.162
19 HD11 LEU 2 1HD1 LEU 2 -12.119 -3.042 7.116
20 HD12 LEU 2 2HD1 LEU 2 -11.994 -1.320 7.472
21 HD13 LEU 2 3HD1 LEU 2 -10.542 -2.253 7.108
22 HD21 LEU 2 3HD2 LEU 2 -11.453 -2.807 3.526
23 HD22 LEU 2 1HD2 LEU 2 -11.579 -3.888 4.914
24 HD23 LEU 2 2HD2 LEU 2 -10.108 -2.951 4.658
25 H GLY 3 H GLY 3 -13.581 -1.826 2.361
26 HA2 GLY 3 2HA GLY 3 -11.201 -2.052 1.155
27 HA3 GLY 3 1HA GLY 3 -12.666 -1.850 0.197
28 H ASP 4 H ASP 4 -13.215 0.849 1.093
29 HA ASP 4 HA ASP 4 -11.721 2.325 -0.805
30 HB2 ASP 4 2HB ASP 4 -14.020 2.887 0.222
31 HB3 ASP 4 1HB ASP 4 -13.111 3.548 1.580
32 H PHE 5 H PHE 5 -11.453 1.877 2.683
33 HA PHE 5 HA PHE 5 -9.413 3.727 3.235
34 HB2 PHE 5 2HB PHE 5 -9.912 2.899 5.273
35 HB3 PHE 5 1HB PHE 5 -10.691 1.493 4.581
36 HD1 PHE 5 2HD PHE 5 -9.327 -0.545 4.038
37 HD2 PHE 5 1HD PHE 5 -7.676 2.837 6.103
38 HE1 PHE 5 2HE PHE 5 -7.412 -1.934 4.783
39 HE2 PHE 5 1HE PHE 5 -5.759 1.450 6.846
40 HZ PHE 5 HZ PHE 5 -5.627 -0.935 6.185
41 H PHE 6 H PHE 6 -9.288 0.303 2.349
42 HA PHE 6 HA PHE 6 -6.549 -0.078 2.411
43 HB2 PHE 6 2HB PHE 6 -8.824 -1.319 1.005
44 HB3 PHE 6 1HB PHE 6 -7.269 -1.551 0.209
45 HD1 PHE 6 1HD PHE 6 -5.281 -1.940 2.106
46 HD2 PHE 6 2HD PHE 6 -9.418 -3.044 2.434
47 HE1 PHE 6 1HE PHE 6 -4.681 -3.696 3.756
48 HE2 PHE 6 2HE PHE 6 -8.819 -4.802 4.083
49 HZ PHE 6 HZ PHE 6 -6.451 -5.125 4.745
50 H ARG 7 H ARG 7 -8.513 1.218 -0.259
51 HA ARG 7 HA ARG 7 -6.512 1.490 -2.167
52 HB2 ARG 7 2HB ARG 7 -8.857 3.336 -1.658
53 HB3 ARG 7 1HB ARG 7 -7.901 3.281 -3.140
54 HG2 ARG 7 2HG ARG 7 -8.497 0.752 -3.174
55 HG3 ARG 7 1HG ARG 7 -9.763 1.187 -2.026
56 HD2 ARG 7 2HD ARG 7 -9.451 1.994 -4.898
57 HD3 ARG 7 1HD ARG 7 -10.890 1.429 -4.049
58 HE ARG 7 HE ARG 7 -10.331 3.813 -2.842
59 HH11 ARG 7 1HH2 ARG 7 -10.742 2.737 -6.103
60 HH12 ARG 7 2HH2 ARG 7 -11.373 4.247 -6.671
61 HH21 ARG 7 1HH1 ARG 7 -11.156 5.800 -3.578
62 HH22 ARG 7 2HH1 ARG 7 -11.607 5.982 -5.239
63 H LYS 8 H LYS 8 -7.543 3.905 0.269
64 HA LYS 8 HA LYS 8 -5.472 5.740 -0.455
65 HB2 LYS 8 2HB LYS 8 -6.265 7.117 1.272
66 HB3 LYS 8 1HB LYS 8 -7.701 6.244 0.751
67 HG2 LYS 8 2HG LYS 8 -7.942 5.824 2.983
68 HG3 LYS 8 1HG LYS 8 -6.779 4.548 2.668
69 HD2 LYS 8 2HD LYS 8 -4.997 6.428 3.109
70 HD3 LYS 8 1HD LYS 8 -6.336 7.230 3.928
71 HE2 LYS 8 2HE LYS 8 -6.681 5.021 5.188
72 HE3 LYS 8 1HE LYS 8 -5.093 4.559 4.578
73 HZ1 LYS 8 3HZ LYS 8 -5.570 6.010 6.822
74 HZ2 LYS 8 1HZ LYS 8 -5.139 7.199 5.690
75 HZ3 LYS 8 2HZ LYS 8 -4.083 5.907 6.007
76 H SER 9 H SER 9 -5.750 3.107 1.844
77 HA SER 9 HA SER 9 -3.352 3.752 3.285
78 HB2 SER 9 2HB SER 9 -5.322 2.294 4.076
79 HB3 SER 9 1HB SER 9 -4.595 1.012 3.111
80 HG SER 9 HG SER 9 -3.961 1.333 5.456
81 H LYS 10 H LYS 10 -4.151 1.246 0.851
82 HA LYS 10 HA LYS 10 -1.626 0.121 0.602
83 HB2 LYS 10 2HB LYS 10 -4.013 0.344 -1.156
84 HB3 LYS 10 1HB LYS 10 -2.494 -0.041 -1.964
85 HG2 LYS 10 2HG LYS 10 -2.151 -1.892 -0.294
86 HG3 LYS 10 1HG LYS 10 -3.765 -1.561 0.334
87 HD2 LYS 10 2HD LYS 10 -3.399 -2.047 -2.614
88 HD3 LYS 10 1HD LYS 10 -3.433 -3.416 -1.506
89 HE2 LYS 10 2HE LYS 10 -5.578 -1.315 -1.338
90 HE3 LYS 10 1HE LYS 10 -5.679 -2.581 -2.561
91 HZ1 LYS 10 3HZ LYS 10 -6.784 -3.464 -0.737
92 HZ2 LYS 10 1HZ LYS 10 -5.657 -2.859 0.378
93 HZ3 LYS 10 2HZ LYS 10 -5.239 -4.162 -0.630
94 H GLU 11 H GLU 11 -2.936 3.070 -0.821
95 HA GLU 11 HA GLU 11 -0.768 3.620 -2.562
96 HB2 GLU 11 2HB GLU 11 -2.884 5.333 -1.267
97 HB3 GLU 11 1HB GLU 11 -1.611 6.045 -2.259
98 HG2 GLU 11 2HG GLU 11 -2.266 4.718 -4.171
99 HG3 GLU 11 1HG GLU 11 -3.413 3.798 -3.197
100 H LYS 12 H LYS 12 -1.451 4.468 0.811
101 HA LYS 12 HA LYS 12 0.799 6.127 1.225
102 HB2 LYS 12 2HB LYS 12 -1.183 5.941 2.758
103 HB3 LYS 12 1HB LYS 12 -0.560 4.377 3.285
104 HG2 LYS 12 2HG LYS 12 1.491 5.401 4.087
105 HG3 LYS 12 1HG LYS 12 1.012 6.964 3.427
106 HD2 LYS 12 2HD LYS 12 -0.859 7.106 4.963
107 HD3 LYS 12 1HD LYS 12 -0.555 5.469 5.548
108 HE2 LYS 12 2HE LYS 12 0.342 7.435 6.975
109 HE3 LYS 12 1HE LYS 12 1.444 6.101 6.635
110 HZ1 LYS 12 3HZ LYS 12 2.675 7.347 5.222
111 HZ2 LYS 12 1HZ LYS 12 2.109 8.603 6.212
112 HZ3 LYS 12 2HZ LYS 12 1.361 8.298 4.716
113 H ILE 13 H ILE 13 0.310 2.628 1.692
114 HA ILE 13 HA ILE 13 2.846 2.049 2.752
115 HB ILE 13 HB ILE 13 0.729 0.487 1.311
116 HG12 ILE 13 2HG1 ILE 13 0.876 -0.779 3.559
117 HG13 ILE 13 1HG1 ILE 13 1.841 0.586 4.118
118 HG21 ILE 13 1HG2 ILE 13 2.715 -0.565 0.532
119 HG22 ILE 13 2HG2 ILE 13 2.121 -1.550 1.867
120 HG23 ILE 13 3HG2 ILE 13 3.470 -0.446 2.122
121 HD11 ILE 13 3HD1 ILE 13 -0.007 2.118 3.544
122 HD12 ILE 13 1HD1 ILE 13 -0.536 0.888 4.689
123 HD13 ILE 13 2HD1 ILE 13 -0.965 0.746 2.986
124 H GLY 14 H GLY 14 1.554 2.055 -0.546
125 HA2 GLY 14 2HA GLY 14 3.675 1.021 -1.956
126 HA3 GLY 14 1HA GLY 14 2.607 2.275 -2.581
127 H LYS 15 H LYS 15 3.206 4.400 -0.932
128 HA LYS 15 HA LYS 15 5.712 5.245 -2.043
129 HB2 LYS 15 2HB LYS 15 3.515 6.480 -0.470
130 HB3 LYS 15 1HB LYS 15 5.101 7.230 -0.309
131 HG2 LYS 15 2HG LYS 15 3.865 8.282 -2.145
132 HG3 LYS 15 1HG LYS 15 5.250 7.399 -2.786
133 HD2 LYS 15 2HD LYS 15 3.812 5.506 -3.373
134 HD3 LYS 15 1HD LYS 15 2.419 6.318 -2.657
135 HE2 LYS 15 2HE LYS 15 2.225 6.779 -4.969
136 HE3 LYS 15 1HE LYS 15 2.938 8.246 -4.299
137 HZ1 LYS 15 3HZ LYS 15 4.138 6.203 -5.999
138 HZ2 LYS 15 1HZ LYS 15 5.136 6.894 -4.814
139 HZ3 LYS 15 2HZ LYS 15 4.388 7.882 -5.978
140 H GLU 16 H GLU 16 4.591 4.219 1.124
141 HA GLU 16 HA GLU 16 7.034 4.918 2.457
142 HB2 GLU 16 2HB GLU 16 4.649 3.246 3.219
143 HB3 GLU 16 1HB GLU 16 6.053 3.397 4.270
144 HG2 GLU 16 2HG GLU 16 4.836 5.902 3.160
145 HG3 GLU 16 1HG GLU 16 3.998 5.081 4.476
146 H PHE 17 H PHE 17 5.669 1.932 1.091
147 HA PHE 17 HA PHE 17 7.872 0.333 2.006
148 HB2 PHE 17 2HB PHE 17 6.496 -1.353 1.503
149 HB3 PHE 17 1HB PHE 17 5.323 -0.161 0.988
150 HD1 PHE 17 2HD PHE 17 5.776 0.816 -1.471
151 HD2 PHE 17 1HD PHE 17 7.121 -2.984 -0.027
152 HE1 PHE 17 2HE PHE 17 5.927 -0.013 -3.801
153 HE2 PHE 17 1HE PHE 17 7.279 -3.820 -2.351
154 HZ PHE 17 HZ PHE 17 6.684 -2.331 -4.245
155 H LYS 18 H LYS 18 7.174 2.025 -1.067
156 HA LYS 18 HA LYS 18 9.301 0.664 -2.434
157 HB2 LYS 18 2HB LYS 18 8.947 2.181 -4.249
158 HB3 LYS 18 1HB LYS 18 7.378 1.700 -3.613
159 HG2 LYS 18 2HG LYS 18 7.550 3.844 -2.161
160 HG3 LYS 18 1HG LYS 18 8.807 4.329 -3.303
161 HD2 LYS 18 2HD LYS 18 5.987 3.503 -4.048
162 HD3 LYS 18 1HD LYS 18 6.593 5.164 -4.030
163 HE2 LYS 18 2HE LYS 18 6.824 4.541 -6.287
164 HE3 LYS 18 1HE LYS 18 8.439 4.268 -5.631
165 HZ1 LYS 18 3HZ LYS 18 6.877 2.430 -6.924
166 HZ2 LYS 18 1HZ LYS 18 6.746 1.996 -5.289
167 HZ3 LYS 18 2HZ LYS 18 8.278 2.102 -6.019
168 H ARG 19 H ARG 19 9.134 3.513 -0.417
169 HA ARG 19 HA ARG 19 11.733 4.475 -1.260
170 HB2 ARG 19 2HB ARG 19 11.320 6.317 0.045
171 HB3 ARG 19 1HB ARG 19 9.661 5.761 -0.155
172 HG2 ARG 19 2HG ARG 19 9.946 4.445 1.995
173 HG3 ARG 19 1HG ARG 19 11.486 5.280 2.216
174 HD2 ARG 19 2HD ARG 19 8.703 6.406 2.269
175 HD3 ARG 19 1HD ARG 19 10.025 6.659 3.406
176 HE ARG 19 HE ARG 19 10.936 7.761 1.072
177 HH11 ARG 19 1HH2 ARG 19 8.101 8.080 3.028
178 HH12 ARG 19 2HH2 ARG 19 7.831 9.740 2.612
179 HH21 ARG 19 1HH1 ARG 19 10.590 9.940 0.521
180 HH22 ARG 19 2HH1 ARG 19 9.240 10.792 1.192
181 H ILE 20 H ILE 20 10.401 2.545 1.365
182 HA ILE 20 HA ILE 20 12.828 2.427 2.865
183 HB ILE 20 HB ILE 20 10.242 1.986 3.470
184 HG12 ILE 20 2HG1 ILE 20 12.587 0.631 4.823
185 HG13 ILE 20 1HG1 ILE 20 12.126 2.322 5.017
186 HG21 ILE 20 1HG2 ILE 20 9.763 -0.342 3.786
187 HG22 ILE 20 2HG2 ILE 20 11.390 -0.810 3.297
188 HG23 ILE 20 3HG2 ILE 20 10.267 -0.150 2.109
189 HD11 ILE 20 3HD1 ILE 20 9.860 1.541 5.790
190 HD12 ILE 20 1HD1 ILE 20 11.179 1.093 6.871
191 HD13 ILE 20 2HD1 ILE 20 10.487 -0.107 5.780
192 H VAL 21 H VAL 21 11.260 0.328 0.482
193 HA VAL 21 HA VAL 21 13.491 -1.581 0.677
194 HB VAL 21 HB VAL 21 11.052 -2.318 0.668
195 HG11 VAL 21 1HG1 VAL 21 10.993 -2.277 -2.279
196 HG12 VAL 21 2HG1 VAL 21 10.870 -0.678 -1.551
197 HG13 VAL 21 3HG1 VAL 21 9.707 -1.930 -1.123
198 HG21 VAL 21 3HG2 VAL 21 13.030 -3.366 -1.376
199 HG22 VAL 21 1HG2 VAL 21 11.557 -4.220 -0.920
200 HG23 VAL 21 2HG2 VAL 21 12.813 -3.923 0.282
201 H GLN 22 H GLN 22 14.467 0.681 -0.321
202 HA GLN 22 HA GLN 22 14.226 0.918 -3.169
203 HB2 GLN 22 2HB GLN 22 16.067 2.073 -1.089
204 HB3 GLN 22 1HB GLN 22 16.407 2.298 -2.804
205 HG2 GLN 22 2HG GLN 22 14.369 3.460 -3.168
206 HG3 GLN 22 1HG GLN 22 13.699 2.932 -1.625
207 HE21 GLN 22 1HE2 GLN 22 13.394 5.094 -0.784
208 HE22 GLN 22 2HE2 GLN 22 14.704 6.099 -0.394
209 H ARG 23 H ARG 23 14.610 -1.232 -3.898
210 HA ARG 23 HA ARG 23 15.981 -3.202 -4.059
211 HB2 ARG 23 2HB ARG 23 17.433 -1.250 -5.824
212 HB3 ARG 23 1HB ARG 23 16.981 -2.923 -6.153
213 HG2 ARG 23 2HG ARG 23 15.279 -1.919 -7.323
214 HG3 ARG 23 1HG ARG 23 14.517 -1.881 -5.736
215 HD2 ARG 23 2HD ARG 23 14.300 0.333 -6.504
216 HD3 ARG 23 1HD ARG 23 15.709 0.402 -5.447
217 HE ARG 23 HE ARG 23 16.795 -0.099 -7.891
218 HH11 ARG 23 1HH2 ARG 23 14.537 2.204 -6.642
219 HH12 ARG 23 2HH2 ARG 23 14.994 3.460 -7.743
220 HH21 ARG 23 1HH1 ARG 23 17.404 1.544 -9.341
221 HH22 ARG 23 2HH1 ARG 23 16.620 3.086 -9.271
Start of MODEL 6
1 H1 LEU 1 1HT LEU 1 -18.190 -1.270 4.670
2 H2 LEU 1 2HT LEU 1 -16.620 -1.768 5.086
3 H3 LEU 1 3HT LEU 1 -17.103 -1.742 3.456
4 HA LEU 1 HA LEU 1 -16.893 0.491 3.251
5 HB2 LEU 1 2HB LEU 1 -18.437 0.558 5.474
6 HB3 LEU 1 1HB LEU 1 -16.916 1.118 6.165
7 HG LEU 1 HG LEU 1 -18.266 2.309 3.722
8 HD11 LEU 1 2HD1 LEU 1 -18.837 4.173 5.150
9 HD12 LEU 1 3HD1 LEU 1 -17.943 3.476 6.499
10 HD13 LEU 1 1HD1 LEU 1 -19.422 2.703 5.929
11 HD21 LEU 1 1HD2 LEU 1 -15.815 3.137 5.312
12 HD22 LEU 1 2HD2 LEU 1 -16.553 4.097 4.032
13 HD23 LEU 1 3HD2 LEU 1 -15.827 2.537 3.654
14 H LEU 2 H LEU 2 -14.900 -1.418 3.395
15 HA LEU 2 HA LEU 2 -12.732 -0.050 4.881
16 HB2 LEU 2 2HB LEU 2 -13.242 -2.395 5.591
17 HB3 LEU 2 1HB LEU 2 -12.748 -2.917 3.982
18 HG LEU 2 HG LEU 2 -10.659 -1.387 4.481
19 HD11 LEU 2 1HD1 LEU 2 -11.465 -2.296 7.260
20 HD12 LEU 2 2HD1 LEU 2 -11.558 -0.631 6.692
21 HD13 LEU 2 3HD1 LEU 2 -9.992 -1.427 6.832
22 HD21 LEU 2 3HD2 LEU 2 -9.464 -3.351 5.319
23 HD22 LEU 2 1HD2 LEU 2 -10.574 -3.780 4.017
24 HD23 LEU 2 2HD2 LEU 2 -11.005 -4.125 5.693
25 H GLY 3 H GLY 3 -13.420 -1.931 1.990
26 HA2 GLY 3 2HA GLY 3 -11.186 -1.923 0.539
27 HA3 GLY 3 1HA GLY 3 -12.720 -1.500 -0.218
28 H ASP 4 H ASP 4 -13.062 0.979 1.263
29 HA ASP 4 HA ASP 4 -11.591 2.741 -0.438
30 HB2 ASP 4 2HB ASP 4 -12.661 4.528 0.810
31 HB3 ASP 4 1HB ASP 4 -13.845 3.260 0.502
32 H PHE 5 H PHE 5 -11.337 1.754 2.941
33 HA PHE 5 HA PHE 5 -9.312 3.480 3.804
34 HB2 PHE 5 2HB PHE 5 -10.100 2.307 5.598
35 HB3 PHE 5 1HB PHE 5 -10.414 0.866 4.655
36 HD1 PHE 5 1HD PHE 5 -8.563 -0.754 4.168
37 HD2 PHE 5 2HD PHE 5 -8.013 2.656 6.722
38 HE1 PHE 5 1HE PHE 5 -6.478 -1.751 5.058
39 HE2 PHE 5 2HE PHE 5 -5.925 1.657 7.609
40 HZ PHE 5 HZ PHE 5 -5.157 -0.549 6.776
41 H PHE 6 H PHE 6 -9.048 0.205 2.443
42 HA PHE 6 HA PHE 6 -6.272 0.006 2.440
43 HB2 PHE 6 2HB PHE 6 -8.499 -1.295 0.974
44 HB3 PHE 6 1HB PHE 6 -6.907 -1.437 0.235
45 HD1 PHE 6 1HD PHE 6 -4.989 -1.792 2.256
46 HD2 PHE 6 2HD PHE 6 -9.071 -3.129 2.272
47 HE1 PHE 6 1HE PHE 6 -4.390 -3.583 3.852
48 HE2 PHE 6 2HE PHE 6 -8.471 -4.921 3.876
49 HZ PHE 6 HZ PHE 6 -6.134 -5.149 4.670
50 H ARG 7 H ARG 7 -8.435 1.352 -0.046
51 HA ARG 7 HA ARG 7 -6.592 1.819 -2.054
52 HB2 ARG 7 2HB ARG 7 -8.629 2.451 -2.843
53 HB3 ARG 7 1HB ARG 7 -9.202 2.925 -1.247
54 HG2 ARG 7 2HG ARG 7 -8.123 5.055 -1.389
55 HG3 ARG 7 1HG ARG 7 -7.235 4.586 -2.833
56 HD2 ARG 7 2HD ARG 7 -10.210 5.035 -2.568
57 HD3 ARG 7 1HD ARG 7 -9.083 5.983 -3.527
58 HE ARG 7 HE ARG 7 -10.495 3.737 -4.413
59 HH11 ARG 7 1HH2 ARG 7 -7.207 4.834 -4.347
60 HH12 ARG 7 2HH2 ARG 7 -6.701 3.796 -5.635
61 HH21 ARG 7 1HH1 ARG 7 -9.832 2.399 -6.101
62 HH22 ARG 7 2HH1 ARG 7 -8.183 2.426 -6.631
63 H LYS 8 H LYS 8 -7.335 3.774 0.807
64 HA LYS 8 HA LYS 8 -5.457 5.845 0.169
65 HB2 LYS 8 2HB LYS 8 -6.969 5.080 2.666
66 HB3 LYS 8 1HB LYS 8 -5.795 6.395 2.659
67 HG2 LYS 8 2HG LYS 8 -7.063 7.699 1.182
68 HG3 LYS 8 1HG LYS 8 -7.959 6.309 0.568
69 HD2 LYS 8 2HD LYS 8 -9.313 6.173 2.495
70 HD3 LYS 8 1HD LYS 8 -8.200 7.147 3.455
71 HE2 LYS 8 2HE LYS 8 -9.694 8.231 1.055
72 HE3 LYS 8 1HE LYS 8 -10.300 8.356 2.707
73 HZ1 LYS 8 3HZ LYS 8 -8.709 10.166 1.559
74 HZ2 LYS 8 1HZ LYS 8 -7.554 9.191 2.328
75 HZ3 LYS 8 2HZ LYS 8 -8.797 9.910 3.237
76 H SER 9 H SER 9 -5.392 2.894 2.104
77 HA SER 9 HA SER 9 -2.811 3.384 3.244
78 HB2 SER 9 2HB SER 9 -3.143 1.416 4.366
79 HB3 SER 9 1HB SER 9 -4.811 1.706 3.884
80 HG SER 9 HG SER 9 -3.479 -0.397 3.346
81 H LYS 10 H LYS 10 -3.964 1.223 0.644
82 HA LYS 10 HA LYS 10 -1.536 0.115 -0.099
83 HB2 LYS 10 2HB LYS 10 -4.151 0.536 -1.389
84 HB3 LYS 10 1HB LYS 10 -2.809 0.410 -2.525
85 HG2 LYS 10 2HG LYS 10 -3.708 -1.816 -2.104
86 HG3 LYS 10 1HG LYS 10 -2.104 -1.704 -1.380
87 HD2 LYS 10 2HD LYS 10 -3.013 -1.413 0.810
88 HD3 LYS 10 1HD LYS 10 -4.634 -1.151 0.167
89 HE2 LYS 10 2HE LYS 10 -3.905 -3.531 1.129
90 HE3 LYS 10 1HE LYS 10 -4.981 -3.401 -0.263
91 HZ1 LYS 10 3HZ LYS 10 -2.075 -3.433 -0.686
92 HZ2 LYS 10 1HZ LYS 10 -3.318 -3.954 -1.717
93 HZ3 LYS 10 2HZ LYS 10 -2.879 -4.896 -0.372
94 H GLU 11 H GLU 11 -2.960 3.214 -1.070
95 HA GLU 11 HA GLU 11 -0.901 3.901 -2.917
96 HB2 GLU 11 2HB GLU 11 -2.979 5.511 -1.433
97 HB3 GLU 11 1HB GLU 11 -1.811 6.262 -2.521
98 HG2 GLU 11 2HG GLU 11 -2.598 4.960 -4.388
99 HG3 GLU 11 1HG GLU 11 -3.607 3.966 -3.339
100 H LYS 12 H LYS 12 -1.496 4.768 0.485
101 HA LYS 12 HA LYS 12 0.804 6.394 0.787
102 HB2 LYS 12 2HB LYS 12 -0.972 4.928 2.734
103 HB3 LYS 12 1HB LYS 12 0.437 5.842 3.275
104 HG2 LYS 12 2HG LYS 12 -0.442 7.860 2.148
105 HG3 LYS 12 1HG LYS 12 -1.859 6.948 1.631
106 HD2 LYS 12 2HD LYS 12 -2.331 6.459 4.061
107 HD3 LYS 12 1HD LYS 12 -1.036 7.582 4.476
108 HE2 LYS 12 2HE LYS 12 -3.088 8.832 4.555
109 HE3 LYS 12 1HE LYS 12 -2.246 9.327 3.088
110 HZ1 LYS 12 3HZ LYS 12 -4.526 7.454 3.328
111 HZ2 LYS 12 1HZ LYS 12 -3.590 7.580 1.919
112 HZ3 LYS 12 2HZ LYS 12 -4.467 8.923 2.477
113 H ILE 13 H ILE 13 0.214 2.971 1.648
114 HA ILE 13 HA ILE 13 2.769 2.430 2.649
115 HB ILE 13 HB ILE 13 0.501 0.824 1.536
116 HG12 ILE 13 2HG1 ILE 13 0.901 -0.269 3.873
117 HG13 ILE 13 1HG1 ILE 13 1.903 1.146 4.186
118 HG21 ILE 13 1HG2 ILE 13 3.244 -0.242 2.195
119 HG22 ILE 13 2HG2 ILE 13 2.410 -0.352 0.644
120 HG23 ILE 13 3HG2 ILE 13 1.808 -1.246 2.038
121 HD11 ILE 13 3HD1 ILE 13 -0.055 2.585 3.534
122 HD12 ILE 13 1HD1 ILE 13 -0.330 1.617 4.981
123 HD13 ILE 13 2HD1 ILE 13 -1.030 1.118 3.442
124 H GLY 14 H GLY 14 1.392 2.042 -0.608
125 HA2 GLY 14 2HA GLY 14 3.481 0.799 -1.890
126 HA3 GLY 14 1HA GLY 14 2.428 1.977 -2.669
127 H LYS 15 H LYS 15 3.092 4.289 -1.311
128 HA LYS 15 HA LYS 15 5.594 4.934 -2.561
129 HB2 LYS 15 2HB LYS 15 3.474 6.401 -1.066
130 HB3 LYS 15 1HB LYS 15 5.076 7.136 -1.116
131 HG2 LYS 15 2HG LYS 15 3.726 7.930 -3.006
132 HG3 LYS 15 1HG LYS 15 5.068 6.949 -3.592
133 HD2 LYS 15 2HD LYS 15 3.570 4.994 -3.763
134 HD3 LYS 15 1HD LYS 15 2.227 5.972 -3.174
135 HE2 LYS 15 2HE LYS 15 2.260 7.363 -5.116
136 HE3 LYS 15 1HE LYS 15 3.819 6.719 -5.633
137 HZ1 LYS 15 3HZ LYS 15 1.206 5.325 -5.588
138 HZ2 LYS 15 1HZ LYS 15 2.679 4.507 -5.784
139 HZ3 LYS 15 2HZ LYS 15 2.189 5.657 -6.933
140 H GLU 16 H GLU 16 4.508 4.435 0.768
141 HA GLU 16 HA GLU 16 7.037 5.182 1.917
142 HB2 GLU 16 2HB GLU 16 4.599 3.770 3.010
143 HB3 GLU 16 1HB GLU 16 6.041 4.072 3.980
144 HG2 GLU 16 2HG GLU 16 5.844 6.503 3.439
145 HG3 GLU 16 1HG GLU 16 4.337 6.160 2.593
146 H PHE 17 H PHE 17 5.435 2.071 1.162
147 HA PHE 17 HA PHE 17 7.580 0.516 2.233
148 HB2 PHE 17 2HB PHE 17 5.996 -1.054 2.019
149 HB3 PHE 17 1HB PHE 17 5.024 0.025 1.038
150 HD1 PHE 17 2HD PHE 17 5.708 0.264 -1.473
151 HD2 PHE 17 1HD PHE 17 6.903 -2.985 1.064
152 HE1 PHE 17 2HE PHE 17 6.142 -1.132 -3.470
153 HE2 PHE 17 1HE PHE 17 7.335 -4.385 -0.930
154 HZ PHE 17 HZ PHE 17 6.960 -3.461 -3.202
155 H LYS 18 H LYS 18 7.117 2.196 -0.766
156 HA LYS 18 HA LYS 18 8.991 0.647 -2.301
157 HB2 LYS 18 2HB LYS 18 7.247 2.057 -3.357
158 HB3 LYS 18 1HB LYS 18 8.044 3.494 -2.723
159 HG2 LYS 18 2HG LYS 18 8.938 3.378 -4.877
160 HG3 LYS 18 1HG LYS 18 10.163 2.515 -3.951
161 HD2 LYS 18 2HD LYS 18 9.190 0.368 -4.576
162 HD3 LYS 18 1HD LYS 18 7.857 1.181 -5.400
163 HE2 LYS 18 2HE LYS 18 9.551 2.284 -6.899
164 HE3 LYS 18 1HE LYS 18 10.790 1.271 -6.159
165 HZ1 LYS 18 3HZ LYS 18 8.393 -0.060 -7.157
166 HZ2 LYS 18 1HZ LYS 18 10.006 -0.585 -7.158
167 HZ3 LYS 18 2HZ LYS 18 9.480 0.542 -8.316
168 H ARG 19 H ARG 19 9.168 3.589 -0.335
169 HA ARG 19 HA ARG 19 11.974 3.981 -0.956
170 HB2 ARG 19 2HB ARG 19 11.835 5.972 0.309
171 HB3 ARG 19 1HB ARG 19 10.279 5.839 -0.504
172 HG2 ARG 19 2HG ARG 19 9.443 6.205 1.583
173 HG3 ARG 19 1HG ARG 19 9.735 4.482 1.790
174 HD2 ARG 19 2HD ARG 19 12.143 5.264 2.501
175 HD3 ARG 19 1HD ARG 19 11.352 6.808 2.793
176 HE ARG 19 HE ARG 19 11.319 4.635 4.531
177 HH11 ARG 19 1HH2 ARG 19 9.000 6.679 2.971
178 HH12 ARG 19 2HH2 ARG 19 7.748 6.354 4.120
179 HH21 ARG 19 1HH1 ARG 19 9.690 4.222 6.037
180 HH22 ARG 19 2HH1 ARG 19 8.139 4.969 5.854
181 H ILE 20 H ILE 20 10.098 2.385 1.500
182 HA ILE 20 HA ILE 20 12.287 2.261 3.390
183 HB ILE 20 HB ILE 20 9.539 2.050 3.603
184 HG12 ILE 20 2HG1 ILE 20 11.636 1.086 5.557
185 HG13 ILE 20 1HG1 ILE 20 11.145 2.762 5.322
186 HG21 ILE 20 1HG2 ILE 20 10.687 -0.692 4.188
187 HG22 ILE 20 2HG2 ILE 20 9.700 -0.320 2.774
188 HG23 ILE 20 3HG2 ILE 20 9.014 -0.172 4.390
189 HD11 ILE 20 3HD1 ILE 20 9.431 0.480 6.333
190 HD12 ILE 20 1HD1 ILE 20 8.783 2.058 5.886
191 HD13 ILE 20 2HD1 ILE 20 9.922 1.919 7.225
192 H VAL 21 H VAL 21 10.792 0.194 0.979
193 HA VAL 21 HA VAL 21 12.444 -2.095 1.665
194 HB VAL 21 HB VAL 21 10.040 -2.165 0.764
195 HG11 VAL 21 1HG1 VAL 21 11.232 -2.129 -1.976
196 HG12 VAL 21 2HG1 VAL 21 10.923 -0.572 -1.209
197 HG13 VAL 21 3HG1 VAL 21 9.602 -1.713 -1.453
198 HG21 VAL 21 3HG2 VAL 21 10.689 -4.167 -0.768
199 HG22 VAL 21 1HG2 VAL 21 11.159 -4.232 0.930
200 HG23 VAL 21 2HG2 VAL 21 12.346 -3.797 -0.297
201 H GLN 22 H GLN 22 13.911 0.257 0.992
202 HA GLN 22 HA GLN 22 14.811 0.611 -1.558
203 HB2 GLN 22 2HB GLN 22 16.658 0.386 0.825
204 HB3 GLN 22 1HB GLN 22 16.910 1.339 -0.639
205 HG2 GLN 22 2HG GLN 22 14.832 2.631 -0.075
206 HG3 GLN 22 1HG GLN 22 14.769 1.765 1.459
207 HE21 GLN 22 1HE2 GLN 22 15.303 3.478 2.893
208 HE22 GLN 22 2HE2 GLN 22 16.772 4.328 2.823
209 H ARG 23 H ARG 23 14.663 -1.317 -2.752
210 HA ARG 23 HA ARG 23 15.682 -3.798 -2.268
211 HB2 ARG 23 2HB ARG 23 15.827 -2.250 -4.866
212 HB3 ARG 23 1HB ARG 23 16.054 -3.993 -4.721
213 HG2 ARG 23 2HG ARG 23 13.576 -2.765 -3.553
214 HG3 ARG 23 1HG ARG 23 13.666 -2.992 -5.299
215 HD2 ARG 23 2HD ARG 23 14.058 -5.151 -3.207
216 HD3 ARG 23 1HD ARG 23 12.642 -4.954 -4.235
217 HE ARG 23 HE ARG 23 14.712 -5.151 -6.011
218 HH11 ARG 23 1HH2 ARG 23 13.567 -7.012 -3.328
219 HH12 ARG 23 2HH2 ARG 23 14.111 -8.526 -3.968
220 HH21 ARG 23 1HH1 ARG 23 15.430 -7.135 -6.856
221 HH22 ARG 23 2HH1 ARG 23 15.165 -8.596 -5.965
Start of MODEL 7
1 H1 LEU 1 1HT LEU 1 -17.714 2.945 4.104
2 H2 LEU 1 2HT LEU 1 -17.324 1.570 5.024
3 H3 LEU 1 3HT LEU 1 -18.688 1.560 4.011
4 HA LEU 1 HA LEU 1 -17.227 0.411 2.710
5 HB2 LEU 1 2HB LEU 1 -16.649 3.326 2.099
6 HB3 LEU 1 1HB LEU 1 -16.370 1.980 0.995
7 HG LEU 1 HG LEU 1 -19.101 2.411 2.196
8 HD11 LEU 1 2HD1 LEU 1 -18.507 4.567 1.211
9 HD12 LEU 1 3HD1 LEU 1 -19.673 3.749 0.172
10 HD13 LEU 1 1HD1 LEU 1 -17.965 3.772 -0.265
11 HD21 LEU 1 1HD2 LEU 1 -18.779 0.325 1.014
12 HD22 LEU 1 2HD2 LEU 1 -18.021 1.151 -0.346
13 HD23 LEU 1 3HD2 LEU 1 -19.739 1.375 -0.024
14 H LEU 2 H LEU 2 -15.614 -0.673 3.754
15 HA LEU 2 HA LEU 2 -13.335 0.682 4.903
16 HB2 LEU 2 2HB LEU 2 -14.161 -1.388 5.891
17 HB3 LEU 2 1HB LEU 2 -13.843 -2.253 4.393
18 HG LEU 2 HG LEU 2 -11.527 -0.734 5.251
19 HD11 LEU 2 1HD1 LEU 2 -10.966 -2.198 7.200
20 HD12 LEU 2 2HD1 LEU 2 -12.611 -2.831 7.149
21 HD13 LEU 2 3HD1 LEU 2 -12.333 -1.128 7.513
22 HD21 LEU 2 3HD2 LEU 2 -10.392 -2.832 4.858
23 HD22 LEU 2 1HD2 LEU 2 -11.584 -2.577 3.582
24 HD23 LEU 2 2HD2 LEU 2 -11.924 -3.706 4.895
25 H GLY 3 H GLY 3 -13.739 -1.673 2.321
26 HA2 GLY 3 2HA GLY 3 -11.310 -1.958 1.238
27 HA3 GLY 3 1HA GLY 3 -12.720 -1.734 0.204
28 H ASP 4 H ASP 4 -13.257 0.987 1.044
29 HA ASP 4 HA ASP 4 -11.620 2.406 -0.784
30 HB2 ASP 4 2HB ASP 4 -13.961 3.038 0.039
31 HB3 ASP 4 1HB ASP 4 -13.168 3.657 1.487
32 H PHE 5 H PHE 5 -11.610 2.066 2.733
33 HA PHE 5 HA PHE 5 -9.590 3.884 3.388
34 HB2 PHE 5 2HB PHE 5 -10.248 3.090 5.392
35 HB3 PHE 5 1HB PHE 5 -10.967 1.670 4.666
36 HD1 PHE 5 2HD PHE 5 -9.553 -0.380 4.268
37 HD2 PHE 5 1HD PHE 5 -8.103 3.042 6.421
38 HE1 PHE 5 2HE PHE 5 -7.713 -1.744 5.211
39 HE2 PHE 5 1HE PHE 5 -6.261 1.675 7.360
40 HZ PHE 5 HZ PHE 5 -6.066 -0.721 6.754
41 H PHE 6 H PHE 6 -9.393 0.433 2.605
42 HA PHE 6 HA PHE 6 -6.643 0.102 2.790
43 HB2 PHE 6 2HB PHE 6 -8.852 -1.258 1.376
44 HB3 PHE 6 1HB PHE 6 -7.260 -1.523 0.675
45 HD1 PHE 6 1HD PHE 6 -5.401 -1.671 2.841
46 HD2 PHE 6 2HD PHE 6 -9.474 -3.034 2.729
47 HE1 PHE 6 1HE PHE 6 -4.890 -3.340 4.598
48 HE2 PHE 6 2HE PHE 6 -8.962 -4.703 4.490
49 HZ PHE 6 HZ PHE 6 -6.670 -4.856 5.426
50 H ARG 7 H ARG 7 -8.552 1.153 -0.030
51 HA ARG 7 HA ARG 7 -6.522 1.346 -1.906
52 HB2 ARG 7 2HB ARG 7 -9.168 2.565 -1.516
53 HB3 ARG 7 1HB ARG 7 -8.066 3.585 -2.437
54 HG2 ARG 7 2HG ARG 7 -9.229 2.160 -4.008
55 HG3 ARG 7 1HG ARG 7 -7.565 1.605 -3.906
56 HD2 ARG 7 2HD ARG 7 -8.240 -0.431 -3.233
57 HD3 ARG 7 1HD ARG 7 -9.100 0.264 -1.868
58 HE ARG 7 HE ARG 7 -10.317 -0.935 -4.038
59 HH11 ARG 7 1HH2 ARG 7 -10.397 2.219 -2.597
60 HH12 ARG 7 2HH2 ARG 7 -11.996 2.575 -3.155
61 HH21 ARG 7 1HH1 ARG 7 -12.405 -0.466 -4.759
62 HH22 ARG 7 2HH1 ARG 7 -13.130 1.060 -4.377
63 H LYS 8 H LYS 8 -7.426 3.618 0.649
64 HA LYS 8 HA LYS 8 -5.512 5.614 -0.110
65 HB2 LYS 8 2HB LYS 8 -7.610 5.970 1.302
66 HB3 LYS 8 1HB LYS 8 -6.713 5.244 2.636
67 HG2 LYS 8 2HG LYS 8 -4.862 7.022 1.865
68 HG3 LYS 8 1HG LYS 8 -6.288 7.871 1.271
69 HD2 LYS 8 2HD LYS 8 -6.184 8.692 3.444
70 HD3 LYS 8 1HD LYS 8 -7.244 7.303 3.677
71 HE2 LYS 8 2HE LYS 8 -5.326 5.932 4.373
72 HE3 LYS 8 1HE LYS 8 -4.239 7.294 4.098
73 HZ1 LYS 8 3HZ LYS 8 -5.225 8.505 5.835
74 HZ2 LYS 8 1HZ LYS 8 -4.996 6.943 6.454
75 HZ3 LYS 8 2HZ LYS 8 -6.542 7.438 5.954
76 H SER 9 H SER 9 -5.581 2.941 2.210
77 HA SER 9 HA SER 9 -3.034 3.545 3.367
78 HB2 SER 9 2HB SER 9 -4.887 2.149 4.417
79 HB3 SER 9 1HB SER 9 -4.395 0.849 3.337
80 HG SER 9 HG SER 9 -2.215 1.260 4.231
81 H LYS 10 H LYS 10 -4.124 1.066 1.030
82 HA LYS 10 HA LYS 10 -1.706 -0.165 0.524
83 HB2 LYS 10 2HB LYS 10 -4.243 0.172 -0.928
84 HB3 LYS 10 1HB LYS 10 -2.859 -0.082 -1.987
85 HG2 LYS 10 2HG LYS 10 -3.778 -2.249 -1.426
86 HG3 LYS 10 1HG LYS 10 -2.242 -2.080 -0.577
87 HD2 LYS 10 2HD LYS 10 -3.415 -1.441 1.473
88 HD3 LYS 10 1HD LYS 10 -4.961 -1.514 0.629
89 HE2 LYS 10 2HE LYS 10 -3.142 -3.914 0.680
90 HE3 LYS 10 1HE LYS 10 -4.221 -3.581 2.034
91 HZ1 LYS 10 3HZ LYS 10 -4.995 -3.966 -0.805
92 HZ2 LYS 10 1HZ LYS 10 -6.066 -3.479 0.418
93 HZ3 LYS 10 2HZ LYS 10 -5.330 -5.008 0.495
94 H GLU 11 H GLU 11 -3.002 2.838 -0.853
95 HA GLU 11 HA GLU 11 -0.883 3.308 -2.675
96 HB2 GLU 11 2HB GLU 11 -2.876 5.123 -1.314
97 HB3 GLU 11 1HB GLU 11 -1.657 5.742 -2.428
98 HG2 GLU 11 2HG GLU 11 -2.524 4.485 -4.247
99 HG3 GLU 11 1HG GLU 11 -3.489 3.462 -3.184
100 H LYS 12 H LYS 12 -1.402 4.138 0.716
101 HA LYS 12 HA LYS 12 0.811 5.824 1.085
102 HB2 LYS 12 2HB LYS 12 -1.225 4.990 2.669
103 HB3 LYS 12 1HB LYS 12 0.085 4.009 3.321
104 HG2 LYS 12 2HG LYS 12 1.441 6.005 3.703
105 HG3 LYS 12 1HG LYS 12 0.212 7.016 2.945
106 HD2 LYS 12 2HD LYS 12 -0.141 7.221 5.299
107 HD3 LYS 12 1HD LYS 12 -1.414 6.155 4.705
108 HE2 LYS 12 2HE LYS 12 1.165 4.953 5.677
109 HE3 LYS 12 1HE LYS 12 -0.041 5.479 6.849
110 HZ1 LYS 12 3HZ LYS 12 -1.027 3.541 6.488
111 HZ2 LYS 12 1HZ LYS 12 -0.058 3.198 5.139
112 HZ3 LYS 12 2HZ LYS 12 -1.469 4.125 4.954
113 H ILE 13 H ILE 13 0.498 2.288 1.319
114 HA ILE 13 HA ILE 13 3.098 1.753 2.231
115 HB ILE 13 HB ILE 13 1.000 0.188 0.744
116 HG12 ILE 13 2HG1 ILE 13 1.206 -1.193 2.891
117 HG13 ILE 13 1HG1 ILE 13 2.196 0.120 3.524
118 HG21 ILE 13 1HG2 ILE 13 2.471 -1.810 1.093
119 HG22 ILE 13 2HG2 ILE 13 3.778 -0.706 1.510
120 HG23 ILE 13 3HG2 ILE 13 3.081 -0.678 -0.111
121 HD11 ILE 13 3HD1 ILE 13 -0.181 0.347 4.183
122 HD12 ILE 13 1HD1 ILE 13 -0.633 0.404 2.482
123 HD13 ILE 13 2HD1 ILE 13 0.346 1.695 3.180
124 H GLY 14 H GLY 14 1.689 1.990 -1.024
125 HA2 GLY 14 2HA GLY 14 3.825 1.170 -2.568
126 HA3 GLY 14 1HA GLY 14 2.690 2.427 -3.060
127 H LYS 15 H LYS 15 3.245 4.378 -1.159
128 HA LYS 15 HA LYS 15 5.661 5.496 -2.240
129 HB2 LYS 15 2HB LYS 15 3.547 6.381 -0.313
130 HB3 LYS 15 1HB LYS 15 5.091 7.233 -0.310
131 HG2 LYS 15 2HG LYS 15 3.493 8.314 -1.848
132 HG3 LYS 15 1HG LYS 15 4.869 7.651 -2.732
133 HD2 LYS 15 2HD LYS 15 3.607 5.764 -3.475
134 HD3 LYS 15 1HD LYS 15 2.296 6.109 -2.346
135 HE2 LYS 15 2HE LYS 15 1.760 8.171 -3.550
136 HE3 LYS 15 1HE LYS 15 3.116 7.907 -4.646
137 HZ1 LYS 15 3HZ LYS 15 1.907 6.522 -5.861
138 HZ2 LYS 15 1HZ LYS 15 0.549 6.991 -4.961
139 HZ3 LYS 15 2HZ LYS 15 1.437 5.618 -4.501
140 H GLU 16 H GLU 16 4.652 4.545 1.050
141 HA GLU 16 HA GLU 16 7.165 4.918 2.266
142 HB2 GLU 16 2HB GLU 16 4.803 3.165 2.946
143 HB3 GLU 16 1HB GLU 16 6.251 3.219 3.951
144 HG2 GLU 16 2HG GLU 16 4.771 5.725 3.142
145 HG3 GLU 16 1HG GLU 16 4.353 4.822 4.596
146 H PHE 17 H PHE 17 5.692 2.128 0.658
147 HA PHE 17 HA PHE 17 7.637 0.204 1.248
148 HB2 PHE 17 2HB PHE 17 5.464 -0.292 0.194
149 HB3 PHE 17 1HB PHE 17 6.014 0.484 -1.284
150 HD1 PHE 17 2HD PHE 17 7.106 -2.120 1.173
151 HD2 PHE 17 1HD PHE 17 6.980 -0.860 -2.929
152 HE1 PHE 17 2HE PHE 17 8.152 -4.258 0.489
153 HE2 PHE 17 1HE PHE 17 8.023 -3.000 -3.618
154 HZ PHE 17 HZ PHE 17 8.614 -4.701 -1.911
155 H LYS 18 H LYS 18 7.415 2.466 -1.500
156 HA LYS 18 HA LYS 18 9.739 1.588 -2.826
157 HB2 LYS 18 2HB LYS 18 7.764 3.419 -3.347
158 HB3 LYS 18 1HB LYS 18 9.146 4.471 -3.044
159 HG2 LYS 18 2HG LYS 18 9.345 4.037 -5.340
160 HG3 LYS 18 1HG LYS 18 10.421 2.828 -4.640
161 HD2 LYS 18 2HD LYS 18 8.342 1.279 -4.628
162 HD3 LYS 18 1HD LYS 18 7.634 2.451 -5.739
163 HE2 LYS 18 2HE LYS 18 9.499 2.156 -7.292
164 HE3 LYS 18 1HE LYS 18 10.293 1.057 -6.165
165 HZ1 LYS 18 3HZ LYS 18 8.275 0.499 -8.063
166 HZ2 LYS 18 1HZ LYS 18 7.716 0.110 -6.509
167 HZ3 LYS 18 2HZ LYS 18 9.155 -0.582 -7.089
168 H ARG 19 H ARG 19 9.269 3.744 -0.114
169 HA ARG 19 HA ARG 19 12.009 4.719 -0.164
170 HB2 ARG 19 2HB ARG 19 9.819 5.028 1.908
171 HB3 ARG 19 1HB ARG 19 11.368 5.871 1.926
172 HG2 ARG 19 2HG ARG 19 9.805 6.080 -0.599
173 HG3 ARG 19 1HG ARG 19 9.129 6.915 0.799
174 HD2 ARG 19 2HD ARG 19 12.001 7.227 -0.110
175 HD3 ARG 19 1HD ARG 19 10.701 8.321 -0.579
176 HE ARG 19 HE ARG 19 10.551 8.267 2.150
177 HH11 ARG 19 1HH2 ARG 19 13.042 8.852 -0.179
178 HH12 ARG 19 2HH2 ARG 19 13.919 9.953 0.832
179 HH21 ARG 19 1HH1 ARG 19 11.694 9.710 3.480
180 HH22 ARG 19 2HH1 ARG 19 13.156 10.439 2.901
181 H ILE 20 H ILE 20 10.008 2.662 1.941
182 HA ILE 20 HA ILE 20 12.060 1.933 3.722
183 HB ILE 20 HB ILE 20 9.388 1.636 3.712
184 HG12 ILE 20 2HG1 ILE 20 11.292 -0.230 5.152
185 HG13 ILE 20 1HG1 ILE 20 10.943 1.432 5.629
186 HG21 ILE 20 1HG2 ILE 20 8.677 -0.586 3.316
187 HG22 ILE 20 2HG2 ILE 20 10.331 -1.191 3.227
188 HG23 ILE 20 3HG2 ILE 20 9.685 -0.194 1.926
189 HD11 ILE 20 3HD1 ILE 20 9.527 -0.014 6.949
190 HD12 ILE 20 1HD1 ILE 20 8.988 -0.876 5.509
191 HD13 ILE 20 2HD1 ILE 20 8.506 0.801 5.765
192 H VAL 21 H VAL 21 11.010 0.607 0.647
193 HA VAL 21 HA VAL 21 12.845 -1.653 0.894
194 HB VAL 21 HB VAL 21 10.429 -1.693 -0.107
195 HG11 VAL 21 1HG1 VAL 21 11.824 -1.177 -2.703
196 HG12 VAL 21 2HG1 VAL 21 11.293 0.215 -1.762
197 HG13 VAL 21 3HG1 VAL 21 10.120 -0.992 -2.290
198 HG21 VAL 21 3HG2 VAL 21 11.086 -3.542 -1.593
199 HG22 VAL 21 1HG2 VAL 21 12.000 -3.603 -0.086
200 HG23 VAL 21 2HG2 VAL 21 12.760 -2.988 -1.554
201 H GLN 22 H GLN 22 13.447 1.309 0.475
202 HA GLN 22 HA GLN 22 14.662 2.663 -1.042
203 HB2 GLN 22 2HB GLN 22 17.086 1.857 -0.778
204 HB3 GLN 22 1HB GLN 22 16.176 2.211 0.691
205 HG2 GLN 22 2HG GLN 22 15.701 -0.140 1.036
206 HG3 GLN 22 1HG GLN 22 16.426 -0.556 -0.516
207 HE21 GLN 22 1HE2 GLN 22 18.065 1.964 1.198
208 HE22 GLN 22 2HE2 GLN 22 19.348 1.019 1.784
209 H ARG 23 H ARG 23 13.275 0.730 -2.682
210 HA ARG 23 HA ARG 23 14.379 1.059 -5.132
211 HB2 ARG 23 2HB ARG 23 15.500 -1.147 -5.620
212 HB3 ARG 23 1HB ARG 23 16.423 -0.071 -4.580
213 HG2 ARG 23 2HG ARG 23 15.936 -1.335 -2.644
214 HG3 ARG 23 1HG ARG 23 14.576 -2.153 -3.416
215 HD2 ARG 23 2HD ARG 23 17.495 -2.498 -4.155
216 HD3 ARG 23 1HD ARG 23 16.528 -3.650 -3.239
217 HE ARG 23 HE ARG 23 15.108 -3.310 -5.547
218 HH11 ARG 23 1HH2 ARG 23 18.386 -4.083 -4.757
219 HH12 ARG 23 2HH2 ARG 23 18.639 -5.063 -6.163
220 HH21 ARG 23 1HH1 ARG 23 15.431 -4.593 -7.394
221 HH22 ARG 23 2HH1 ARG 23 16.965 -5.352 -7.657
Start of MODEL 8
1 H1 LEU 1 1HT LEU 1 -17.640 2.756 2.100
2 H2 LEU 1 2HT LEU 1 -16.875 2.578 3.607
3 H3 LEU 1 3HT LEU 1 -18.383 1.849 3.325
4 HA LEU 1 HA LEU 1 -17.308 0.009 2.768
5 HB2 LEU 1 2HB LEU 1 -16.584 1.873 0.509
6 HB3 LEU 1 1HB LEU 1 -16.034 0.197 0.511
7 HG LEU 1 HG LEU 1 -18.326 -0.607 0.639
8 HD11 LEU 1 2HD1 LEU 1 -20.174 1.168 0.433
9 HD12 LEU 1 3HD1 LEU 1 -18.953 2.333 0.943
10 HD13 LEU 1 1HD1 LEU 1 -19.406 1.007 2.011
11 HD21 LEU 1 1HD2 LEU 1 -17.394 -0.004 -1.597
12 HD22 LEU 1 2HD2 LEU 1 -18.108 1.600 -1.434
13 HD23 LEU 1 3HD2 LEU 1 -19.147 0.178 -1.530
14 H LEU 2 H LEU 2 -15.548 -1.040 3.501
15 HA LEU 2 HA LEU 2 -13.372 0.413 4.645
16 HB2 LEU 2 2HB LEU 2 -14.132 -1.705 5.588
17 HB3 LEU 2 1HB LEU 2 -13.673 -2.546 4.112
18 HG LEU 2 HG LEU 2 -11.504 -0.895 5.084
19 HD11 LEU 2 1HD1 LEU 2 -12.580 -3.014 6.962
20 HD12 LEU 2 2HD1 LEU 2 -12.415 -1.293 7.306
21 HD13 LEU 2 3HD1 LEU 2 -10.977 -2.291 7.092
22 HD21 LEU 2 3HD2 LEU 2 -11.393 -2.787 3.455
23 HD22 LEU 2 1HD2 LEU 2 -11.699 -3.893 4.794
24 HD23 LEU 2 2HD2 LEU 2 -10.232 -2.914 4.776
25 H GLY 3 H GLY 3 -13.493 -1.958 2.045
26 HA2 GLY 3 2HA GLY 3 -10.992 -2.090 1.101
27 HA3 GLY 3 1HA GLY 3 -12.353 -1.954 -0.011
28 H ASP 4 H ASP 4 -13.106 0.724 0.794
29 HA ASP 4 HA ASP 4 -11.477 2.253 -0.944
30 HB2 ASP 4 2HB ASP 4 -13.868 2.770 -0.270
31 HB3 ASP 4 1HB ASP 4 -13.229 3.342 1.270
32 H PHE 5 H PHE 5 -11.576 1.854 2.563
33 HA PHE 5 HA PHE 5 -9.687 3.789 3.305
34 HB2 PHE 5 2HB PHE 5 -10.388 2.964 5.283
35 HB3 PHE 5 1HB PHE 5 -11.003 1.508 4.534
36 HD1 PHE 5 2HD PHE 5 -9.486 -0.471 4.215
37 HD2 PHE 5 1HD PHE 5 -8.268 3.034 6.378
38 HE1 PHE 5 2HE PHE 5 -7.614 -1.738 5.228
39 HE2 PHE 5 1HE PHE 5 -6.394 1.764 7.386
40 HZ PHE 5 HZ PHE 5 -6.067 -0.625 6.811
41 H PHE 6 H PHE 6 -9.286 0.344 2.552
42 HA PHE 6 HA PHE 6 -6.535 0.148 2.856
43 HB2 PHE 6 2HB PHE 6 -8.594 -1.302 1.303
44 HB3 PHE 6 1HB PHE 6 -6.947 -1.483 0.706
45 HD1 PHE 6 1HD PHE 6 -5.205 -1.606 2.927
46 HD2 PHE 6 2HD PHE 6 -9.238 -3.060 2.665
47 HE1 PHE 6 1HE PHE 6 -4.725 -3.256 4.714
48 HE2 PHE 6 2HE PHE 6 -8.758 -4.711 4.455
49 HZ PHE 6 HZ PHE 6 -6.501 -4.809 5.479
50 H ARG 7 H ARG 7 -8.352 1.120 -0.051
51 HA ARG 7 HA ARG 7 -6.245 1.438 -1.816
52 HB2 ARG 7 2HB ARG 7 -8.956 2.583 -1.536
53 HB3 ARG 7 1HB ARG 7 -7.841 3.553 -2.495
54 HG2 ARG 7 2HG ARG 7 -7.310 1.552 -3.866
55 HG3 ARG 7 1HG ARG 7 -8.485 0.621 -2.936
56 HD2 ARG 7 2HD ARG 7 -9.987 2.792 -3.657
57 HD3 ARG 7 1HD ARG 7 -8.928 2.641 -5.055
58 HE ARG 7 HE ARG 7 -11.162 1.102 -4.680
59 HH11 ARG 7 1HH2 ARG 7 -7.760 0.456 -4.901
60 HH12 ARG 7 2HH2 ARG 7 -7.974 -1.164 -5.467
61 HH21 ARG 7 1HH1 ARG 7 -11.432 -1.011 -5.433
62 HH22 ARG 7 2HH1 ARG 7 -10.045 -1.993 -5.771
63 H LYS 8 H LYS 8 -7.419 3.690 0.660
64 HA LYS 8 HA LYS 8 -5.624 5.798 -0.017
65 HB2 LYS 8 2HB LYS 8 -7.281 5.141 2.408
66 HB3 LYS 8 1HB LYS 8 -6.136 6.481 2.441
67 HG2 LYS 8 2HG LYS 8 -7.256 7.632 0.700
68 HG3 LYS 8 1HG LYS 8 -8.165 6.196 0.223
69 HD2 LYS 8 2HD LYS 8 -9.608 6.337 2.069
70 HD3 LYS 8 1HD LYS 8 -8.489 7.343 2.989
71 HE2 LYS 8 2HE LYS 8 -9.735 8.309 0.413
72 HE3 LYS 8 1HE LYS 8 -10.538 8.521 1.968
73 HZ1 LYS 8 3HZ LYS 8 -7.807 9.473 1.290
74 HZ2 LYS 8 1HZ LYS 8 -8.586 9.683 2.782
75 HZ3 LYS 8 2HZ LYS 8 -9.197 10.445 1.392
76 H SER 9 H SER 9 -5.516 3.195 2.408
77 HA SER 9 HA SER 9 -2.941 3.964 3.407
78 HB2 SER 9 2HB SER 9 -4.723 2.593 4.629
79 HB3 SER 9 1HB SER 9 -4.187 1.227 3.653
80 HG SER 9 HG SER 9 -1.988 2.078 4.473
81 H LYS 10 H LYS 10 -4.065 1.297 1.313
82 HA LYS 10 HA LYS 10 -1.643 0.081 0.777
83 HB2 LYS 10 2HB LYS 10 -4.127 0.469 -0.877
84 HB3 LYS 10 1HB LYS 10 -2.722 -0.345 -1.563
85 HG2 LYS 10 2HG LYS 10 -4.019 -1.144 1.053
86 HG3 LYS 10 1HG LYS 10 -4.412 -1.886 -0.496
87 HD2 LYS 10 2HD LYS 10 -1.714 -2.118 -0.573
88 HD3 LYS 10 1HD LYS 10 -1.958 -2.163 1.172
89 HE2 LYS 10 2HE LYS 10 -3.787 -3.916 0.691
90 HE3 LYS 10 1HE LYS 10 -3.075 -4.032 -0.917
91 HZ1 LYS 10 3HZ LYS 10 -0.956 -4.120 0.826
92 HZ2 LYS 10 1HZ LYS 10 -1.611 -5.424 -0.038
93 HZ3 LYS 10 2HZ LYS 10 -2.140 -5.102 1.544
94 H GLU 11 H GLU 11 -2.938 3.101 -0.421
95 HA GLU 11 HA GLU 11 -0.947 3.444 -2.469
96 HB2 GLU 11 2HB GLU 11 -3.026 5.213 -1.203
97 HB3 GLU 11 1HB GLU 11 -1.784 5.911 -2.243
98 HG2 GLU 11 2HG GLU 11 -2.478 4.627 -4.117
99 HG3 GLU 11 1HG GLU 11 -3.448 3.546 -3.116
100 H LYS 12 H LYS 12 -1.393 4.442 0.883
101 HA LYS 12 HA LYS 12 0.843 6.172 1.064
102 HB2 LYS 12 2HB LYS 12 -0.624 4.553 3.157
103 HB3 LYS 12 1HB LYS 12 0.643 5.719 3.538
104 HG2 LYS 12 2HG LYS 12 -1.490 6.728 1.736
105 HG3 LYS 12 1HG LYS 12 -2.011 6.360 3.380
106 HD2 LYS 12 2HD LYS 12 -0.231 7.790 4.287
107 HD3 LYS 12 1HD LYS 12 0.343 8.132 2.655
108 HE2 LYS 12 2HE LYS 12 -1.533 9.431 2.126
109 HE3 LYS 12 1HE LYS 12 -2.527 8.683 3.376
110 HZ1 LYS 12 3HZ LYS 12 -1.306 11.060 3.619
111 HZ2 LYS 12 1HZ LYS 12 -0.171 10.037 4.357
112 HZ3 LYS 12 2HZ LYS 12 -1.772 10.081 4.928
113 H ILE 13 H ILE 13 0.443 2.684 1.621
114 HA ILE 13 HA ILE 13 3.068 2.227 2.574
115 HB ILE 13 HB ILE 13 0.888 0.498 1.418
116 HG12 ILE 13 2HG1 ILE 13 1.182 -0.524 3.777
117 HG13 ILE 13 1HG1 ILE 13 2.125 0.920 4.146
118 HG21 ILE 13 1HG2 ILE 13 2.350 -1.441 2.085
119 HG22 ILE 13 2HG2 ILE 13 3.681 -0.296 2.231
120 HG23 ILE 13 3HG2 ILE 13 2.907 -0.556 0.667
121 HD11 ILE 13 3HD1 ILE 13 -0.717 0.919 3.097
122 HD12 ILE 13 1HD1 ILE 13 0.216 2.339 3.572
123 HD13 ILE 13 2HD1 ILE 13 -0.267 1.154 4.784
124 H GLY 14 H GLY 14 1.524 2.005 -0.621
125 HA2 GLY 14 2HA GLY 14 3.557 0.871 -2.098
126 HA3 GLY 14 1HA GLY 14 2.439 2.073 -2.738
127 H LYS 15 H LYS 15 3.129 4.303 -1.272
128 HA LYS 15 HA LYS 15 5.542 5.108 -2.602
129 HB2 LYS 15 2HB LYS 15 3.526 6.410 -0.812
130 HB3 LYS 15 1HB LYS 15 5.094 7.190 -1.012
131 HG2 LYS 15 2HG LYS 15 3.399 7.986 -2.669
132 HG3 LYS 15 1HG LYS 15 4.807 7.249 -3.432
133 HD2 LYS 15 2HD LYS 15 3.638 5.249 -3.927
134 HD3 LYS 15 1HD LYS 15 2.339 5.633 -2.799
135 HE2 LYS 15 2HE LYS 15 2.910 7.409 -5.167
136 HE3 LYS 15 1HE LYS 15 1.880 5.987 -5.323
137 HZ1 LYS 15 3HZ LYS 15 1.446 8.047 -3.242
138 HZ2 LYS 15 1HZ LYS 15 0.377 6.831 -3.748
139 HZ3 LYS 15 2HZ LYS 15 0.727 8.137 -4.779
140 H GLU 16 H GLU 16 4.623 4.745 0.828
141 HA GLU 16 HA GLU 16 7.183 5.272 1.887
142 HB2 GLU 16 2HB GLU 16 4.847 3.664 2.929
143 HB3 GLU 16 1HB GLU 16 6.320 3.916 3.864
144 HG2 GLU 16 2HG GLU 16 6.019 6.383 3.588
145 HG3 GLU 16 1HG GLU 16 4.478 6.070 2.787
146 H PHE 17 H PHE 17 5.602 2.276 0.848
147 HA PHE 17 HA PHE 17 7.550 0.436 1.649
148 HB2 PHE 17 2HB PHE 17 5.319 -0.165 0.776
149 HB3 PHE 17 1HB PHE 17 5.815 0.351 -0.831
150 HD1 PHE 17 1HD PHE 17 6.999 -1.834 1.964
151 HD2 PHE 17 2HD PHE 17 6.640 -1.282 -2.277
152 HE1 PHE 17 1HE PHE 17 7.962 -4.086 1.596
153 HE2 PHE 17 2HE PHE 17 7.605 -3.534 -2.651
154 HZ PHE 17 HZ PHE 17 8.270 -4.939 -0.715
155 H LYS 18 H LYS 18 7.198 2.118 -1.483
156 HA LYS 18 HA LYS 18 9.410 1.033 -2.767
157 HB2 LYS 18 2HB LYS 18 7.512 2.887 -3.403
158 HB3 LYS 18 1HB LYS 18 8.944 3.907 -3.281
159 HG2 LYS 18 2HG LYS 18 9.041 3.223 -5.513
160 HG3 LYS 18 1HG LYS 18 10.074 2.027 -4.732
161 HD2 LYS 18 2HD LYS 18 8.242 0.423 -4.661
162 HD3 LYS 18 1HD LYS 18 7.121 1.626 -5.297
163 HE2 LYS 18 2HE LYS 18 9.608 0.834 -6.812
164 HE3 LYS 18 1HE LYS 18 8.099 -0.062 -6.980
165 HZ1 LYS 18 3HZ LYS 18 6.988 1.951 -7.649
166 HZ2 LYS 18 1HZ LYS 18 8.333 1.693 -8.649
167 HZ3 LYS 18 2HZ LYS 18 8.404 2.860 -7.417
168 H ARG 19 H ARG 19 9.270 3.503 -0.292
169 HA ARG 19 HA ARG 19 12.091 4.179 -0.660
170 HB2 ARG 19 2HB ARG 19 11.581 6.119 0.378
171 HB3 ARG 19 1HB ARG 19 9.897 5.628 0.219
172 HG2 ARG 19 2HG ARG 19 10.157 4.422 2.445
173 HG3 ARG 19 1HG ARG 19 11.717 5.229 2.606
174 HD2 ARG 19 2HD ARG 19 10.077 7.325 1.934
175 HD3 ARG 19 1HD ARG 19 8.987 6.327 2.887
176 HE ARG 19 HE ARG 19 10.832 8.016 3.988
177 HH11 ARG 19 1HH2 ARG 19 10.346 4.581 4.025
178 HH12 ARG 19 2HH2 ARG 19 11.140 4.356 5.544
179 HH21 ARG 19 1HH1 ARG 19 11.858 7.715 5.979
180 HH22 ARG 19 2HH1 ARG 19 11.990 6.124 6.651
181 H ILE 20 H ILE 20 10.019 2.290 1.415
182 HA ILE 20 HA ILE 20 11.974 1.866 3.467
183 HB ILE 20 HB ILE 20 9.252 1.535 3.284
184 HG12 ILE 20 2HG1 ILE 20 11.115 0.207 5.268
185 HG13 ILE 20 1HG1 ILE 20 10.619 1.899 5.307
186 HG21 ILE 20 1HG2 ILE 20 10.423 -1.252 3.465
187 HG22 ILE 20 2HG2 ILE 20 9.633 -0.615 2.023
188 HG23 ILE 20 3HG2 ILE 20 8.720 -0.802 3.517
189 HD11 ILE 20 3HD1 ILE 20 8.221 1.104 5.394
190 HD12 ILE 20 1HD1 ILE 20 9.175 0.702 6.823
191 HD13 ILE 20 2HD1 ILE 20 8.841 -0.533 5.608
192 H VAL 21 H VAL 21 10.946 0.172 0.565
193 HA VAL 21 HA VAL 21 13.073 -1.838 1.017
194 HB VAL 21 HB VAL 21 10.852 -2.834 0.898
195 HG11 VAL 21 1HG1 VAL 21 9.996 -2.549 -1.726
196 HG12 VAL 21 2HG1 VAL 21 10.547 -0.927 -1.321
197 HG13 VAL 21 3HG1 VAL 21 9.317 -1.710 -0.335
198 HG21 VAL 21 3HG2 VAL 21 12.981 -3.784 -0.331
199 HG22 VAL 21 1HG2 VAL 21 12.059 -3.425 -1.791
200 HG23 VAL 21 2HG2 VAL 21 11.409 -4.539 -0.591
201 H GLN 22 H GLN 22 14.431 0.039 0.190
202 HA GLN 22 HA GLN 22 14.280 0.484 -2.692
203 HB2 GLN 22 2HB GLN 22 16.021 1.588 -0.488
204 HB3 GLN 22 1HB GLN 22 16.338 1.919 -2.191
205 HG2 GLN 22 2HG GLN 22 14.016 2.795 -2.418
206 HG3 GLN 22 1HG GLN 22 13.781 2.549 -0.688
207 HE21 GLN 22 1HE2 GLN 22 13.685 5.161 -2.003
208 HE22 GLN 22 2HE2 GLN 22 14.963 6.081 -1.367
209 H ARG 23 H ARG 23 14.741 -1.682 -3.384
210 HA ARG 23 HA ARG 23 16.954 -3.215 -2.658
211 HB2 ARG 23 2HB ARG 23 15.417 -3.003 -5.245
212 HB3 ARG 23 1HB ARG 23 16.737 -4.153 -5.031
213 HG2 ARG 23 2HG ARG 23 15.565 -5.042 -3.004
214 HG3 ARG 23 1HG ARG 23 14.207 -3.978 -3.371
215 HD2 ARG 23 2HD ARG 23 14.611 -5.221 -5.791
216 HD3 ARG 23 1HD ARG 23 15.018 -6.509 -4.662
217 HE ARG 23 HE ARG 23 12.446 -5.839 -5.335
218 HH11 ARG 23 1HH2 ARG 23 14.292 -5.822 -2.398
219 HH12 ARG 23 2HH2 ARG 23 12.909 -5.998 -1.376
220 HH21 ARG 23 1HH1 ARG 23 10.643 -6.077 -3.995
221 HH22 ARG 23 2HH1 ARG 23 10.848 -6.146 -2.276
Start of MODEL 9
1 H1 LEU 1 1HT LEU 1 -17.657 0.993 1.915
2 H2 LEU 1 2HT LEU 1 -17.594 -0.035 0.564
3 H3 LEU 1 3HT LEU 1 -16.262 0.945 0.952
4 HA LEU 1 HA LEU 1 -17.095 -0.802 3.087
5 HB2 LEU 1 2HB LEU 1 -16.921 -1.848 0.423
6 HB3 LEU 1 1HB LEU 1 -15.512 -2.417 1.314
7 HG LEU 1 HG LEU 1 -18.319 -2.602 2.435
8 HD11 LEU 1 2HD1 LEU 1 -18.249 -3.863 0.333
9 HD12 LEU 1 3HD1 LEU 1 -18.270 -4.975 1.701
10 HD13 LEU 1 1HD1 LEU 1 -16.762 -4.662 0.843
11 HD21 LEU 1 1HD2 LEU 1 -17.213 -4.403 3.798
12 HD22 LEU 1 2HD2 LEU 1 -16.538 -2.799 4.084
13 HD23 LEU 1 3HD2 LEU 1 -15.673 -3.951 3.067
14 H LEU 2 H LEU 2 -14.971 -1.943 3.815
15 HA LEU 2 HA LEU 2 -13.065 0.013 4.436
16 HB2 LEU 2 2HB LEU 2 -13.410 -2.137 5.661
17 HB3 LEU 2 1HB LEU 2 -12.552 -2.948 4.354
18 HG LEU 2 HG LEU 2 -10.742 -1.133 4.708
19 HD11 LEU 2 1HD1 LEU 2 -10.626 -0.501 7.191
20 HD12 LEU 2 2HD1 LEU 2 -12.323 -0.968 7.285
21 HD13 LEU 2 3HD1 LEU 2 -11.831 0.357 6.237
22 HD21 LEU 2 3HD2 LEU 2 -11.203 -3.298 6.753
23 HD22 LEU 2 1HD2 LEU 2 -9.664 -2.489 6.456
24 HD23 LEU 2 2HD2 LEU 2 -10.396 -3.484 5.195
25 H GLY 3 H GLY 3 -12.967 -2.567 2.061
26 HA2 GLY 3 2HA GLY 3 -10.509 -2.562 1.025
27 HA3 GLY 3 1HA GLY 3 -11.910 -2.560 -0.043
28 H ASP 4 H ASP 4 -12.797 0.111 0.688
29 HA ASP 4 HA ASP 4 -11.210 1.634 -1.144
30 HB2 ASP 4 2HB ASP 4 -13.705 1.927 -0.641
31 HB3 ASP 4 1HB ASP 4 -13.200 2.764 0.826
32 H PHE 5 H PHE 5 -11.522 1.476 2.366
33 HA PHE 5 HA PHE 5 -9.956 3.676 3.100
34 HB2 PHE 5 2HB PHE 5 -10.951 2.791 4.962
35 HB3 PHE 5 1HB PHE 5 -10.831 1.143 4.374
36 HD1 PHE 5 1HD PHE 5 -8.721 -0.156 4.655
37 HD2 PHE 5 2HD PHE 5 -9.204 3.793 6.276
38 HE1 PHE 5 1HE PHE 5 -6.741 -0.502 6.104
39 HE2 PHE 5 2HE PHE 5 -7.221 3.445 7.722
40 HZ PHE 5 HZ PHE 5 -5.988 1.295 7.636
41 H PHE 6 H PHE 6 -8.993 0.278 2.655
42 HA PHE 6 HA PHE 6 -6.260 0.600 3.148
43 HB2 PHE 6 2HB PHE 6 -7.935 -1.403 1.725
44 HB3 PHE 6 1HB PHE 6 -6.213 -1.411 1.358
45 HD1 PHE 6 1HD PHE 6 -4.698 -1.027 3.613
46 HD2 PHE 6 2HD PHE 6 -8.596 -2.822 3.437
47 HE1 PHE 6 1HE PHE 6 -4.246 -2.209 5.744
48 HE2 PHE 6 2HE PHE 6 -8.144 -4.005 5.571
49 HZ PHE 6 HZ PHE 6 -5.973 -3.697 6.724
50 H ARG 7 H ARG 7 -8.068 0.884 0.095
51 HA ARG 7 HA ARG 7 -5.963 1.180 -1.661
52 HB2 ARG 7 2HB ARG 7 -7.935 1.156 -2.815
53 HB3 ARG 7 1HB ARG 7 -8.796 2.048 -1.566
54 HG2 ARG 7 2HG ARG 7 -7.969 4.129 -2.315
55 HG3 ARG 7 1HG ARG 7 -6.721 3.376 -3.299
56 HD2 ARG 7 2HD ARG 7 -9.703 3.345 -3.785
57 HD3 ARG 7 1HD ARG 7 -8.485 4.130 -4.779
58 HE ARG 7 HE ARG 7 -9.386 1.499 -5.075
59 HH11 ARG 7 1HH2 ARG 7 -6.349 3.148 -4.764
60 HH12 ARG 7 2HH2 ARG 7 -5.435 1.865 -5.479
61 HH21 ARG 7 1HH1 ARG 7 -8.190 -0.162 -6.019
62 HH22 ARG 7 2HH1 ARG 7 -6.474 -0.002 -6.192
63 H LYS 8 H LYS 8 -7.481 3.625 0.421
64 HA LYS 8 HA LYS 8 -5.872 5.789 -0.516
65 HB2 LYS 8 2HB LYS 8 -7.292 5.505 2.145
66 HB3 LYS 8 1HB LYS 8 -6.738 7.007 1.404
67 HG2 LYS 8 2HG LYS 8 -8.295 6.771 -0.422
68 HG3 LYS 8 1HG LYS 8 -8.729 5.141 0.091
69 HD2 LYS 8 2HD LYS 8 -10.488 6.575 0.861
70 HD3 LYS 8 1HD LYS 8 -9.526 6.164 2.280
71 HE2 LYS 8 2HE LYS 8 -8.458 8.286 2.305
72 HE3 LYS 8 1HE LYS 8 -8.991 8.663 0.668
73 HZ1 LYS 8 3HZ LYS 8 -10.896 9.463 1.433
74 HZ2 LYS 8 1HZ LYS 8 -10.259 9.350 3.001
75 HZ3 LYS 8 2HZ LYS 8 -11.193 8.078 2.370
76 H SER 9 H SER 9 -5.667 3.594 2.271
77 HA SER 9 HA SER 9 -3.269 4.776 3.304
78 HB2 SER 9 2HB SER 9 -4.930 3.444 4.655
79 HB3 SER 9 1HB SER 9 -4.338 1.999 3.842
80 HG SER 9 HG SER 9 -3.191 3.530 5.816
81 H LYS 10 H LYS 10 -3.952 1.742 1.543
82 HA LYS 10 HA LYS 10 -1.367 0.768 1.349
83 HB2 LYS 10 2HB LYS 10 -3.746 0.562 -0.487
84 HB3 LYS 10 1HB LYS 10 -2.205 -0.181 -0.917
85 HG2 LYS 10 2HG LYS 10 -2.213 -1.393 1.254
86 HG3 LYS 10 1HG LYS 10 -3.793 -0.696 1.612
87 HD2 LYS 10 2HD LYS 10 -4.736 -1.770 -0.391
88 HD3 LYS 10 1HD LYS 10 -3.159 -2.449 -0.775
89 HE2 LYS 10 2HE LYS 10 -5.164 -3.423 1.105
90 HE3 LYS 10 1HE LYS 10 -3.745 -4.247 0.465
91 HZ1 LYS 10 3HZ LYS 10 -2.393 -3.354 2.133
92 HZ2 LYS 10 1HZ LYS 10 -3.805 -3.830 2.942
93 HZ3 LYS 10 2HZ LYS 10 -3.546 -2.190 2.583
94 H GLU 11 H GLU 11 -2.919 3.374 -0.406
95 HA GLU 11 HA GLU 11 -0.934 3.662 -2.433
96 HB2 GLU 11 2HB GLU 11 -3.116 5.399 -1.318
97 HB3 GLU 11 1HB GLU 11 -1.898 6.119 -2.371
98 HG2 GLU 11 2HG GLU 11 -2.454 4.672 -4.177
99 HG3 GLU 11 1HG GLU 11 -3.391 3.605 -3.133
100 H LYS 12 H LYS 12 -1.530 5.395 0.630
101 HA LYS 12 HA LYS 12 0.743 7.025 0.606
102 HB2 LYS 12 2HB LYS 12 -0.855 5.820 2.868
103 HB3 LYS 12 1HB LYS 12 0.502 6.911 3.153
104 HG2 LYS 12 2HG LYS 12 -0.594 8.619 1.724
105 HG3 LYS 12 1HG LYS 12 -1.969 7.535 1.509
106 HD2 LYS 12 2HD LYS 12 -2.604 7.690 3.775
107 HD3 LYS 12 1HD LYS 12 -1.025 8.303 4.268
108 HE2 LYS 12 2HE LYS 12 -2.820 9.844 2.389
109 HE3 LYS 12 1HE LYS 12 -2.928 10.022 4.140
110 HZ1 LYS 12 3HZ LYS 12 -0.336 10.292 3.859
111 HZ2 LYS 12 1HZ LYS 12 -1.393 11.610 3.697
112 HZ3 LYS 12 2HZ LYS 12 -0.794 10.827 2.313
113 H ILE 13 H ILE 13 0.289 3.734 1.890
114 HA ILE 13 HA ILE 13 2.941 3.418 2.832
115 HB ILE 13 HB ILE 13 0.653 1.577 2.178
116 HG12 ILE 13 2HG1 ILE 13 1.154 1.017 4.682
117 HG13 ILE 13 1HG1 ILE 13 2.076 2.518 4.665
118 HG21 ILE 13 1HG2 ILE 13 2.125 -0.251 3.158
119 HG22 ILE 13 2HG2 ILE 13 3.484 0.831 2.867
120 HG23 ILE 13 3HG2 ILE 13 2.507 0.257 1.514
121 HD11 ILE 13 3HD1 ILE 13 -0.850 2.216 3.926
122 HD12 ILE 13 1HD1 ILE 13 0.063 3.724 3.865
123 HD13 ILE 13 2HD1 ILE 13 -0.227 2.932 5.411
124 H GLY 14 H GLY 14 1.302 2.906 -0.234
125 HA2 GLY 14 2HA GLY 14 3.081 1.289 -1.595
126 HA3 GLY 14 1HA GLY 14 2.148 2.578 -2.356
127 H LYS 15 H LYS 15 3.230 4.800 -1.079
128 HA LYS 15 HA LYS 15 5.652 5.151 -2.568
129 HB2 LYS 15 2HB LYS 15 4.048 6.831 -0.664
130 HB3 LYS 15 1HB LYS 15 5.675 7.341 -1.114
131 HG2 LYS 15 2HG LYS 15 4.000 8.334 -2.625
132 HG3 LYS 15 1HG LYS 15 5.053 7.222 -3.502
133 HD2 LYS 15 2HD LYS 15 3.386 5.497 -3.495
134 HD3 LYS 15 1HD LYS 15 2.383 6.386 -2.348
135 HE2 LYS 15 2HE LYS 15 3.086 7.445 -5.095
136 HE3 LYS 15 1HE LYS 15 1.617 6.527 -4.761
137 HZ1 LYS 15 3HZ LYS 15 0.741 8.196 -3.508
138 HZ2 LYS 15 1HZ LYS 15 1.648 9.124 -4.599
139 HZ3 LYS 15 2HZ LYS 15 2.255 8.813 -3.043
140 H GLU 16 H GLU 16 4.976 5.247 0.947
141 HA GLU 16 HA GLU 16 7.655 5.318 1.778
142 HB2 GLU 16 2HB GLU 16 5.241 5.413 3.048
143 HB3 GLU 16 1HB GLU 16 5.778 3.794 3.494
144 HG2 GLU 16 2HG GLU 16 7.893 4.704 4.340
145 HG3 GLU 16 1HG GLU 16 7.412 6.324 3.838
146 H PHE 17 H PHE 17 5.494 2.634 1.040
147 HA PHE 17 HA PHE 17 7.106 0.497 1.882
148 HB2 PHE 17 2HB PHE 17 4.757 0.252 1.238
149 HB3 PHE 17 1HB PHE 17 5.160 0.631 -0.431
150 HD1 PHE 17 2HD PHE 17 6.180 -1.672 2.327
151 HD2 PHE 17 1HD PHE 17 5.588 -1.142 -1.891
152 HE1 PHE 17 2HE PHE 17 6.689 -4.068 1.962
153 HE2 PHE 17 1HE PHE 17 6.092 -3.539 -2.261
154 HZ PHE 17 HZ PHE 17 6.649 -5.006 -0.337
155 H LYS 18 H LYS 18 6.855 2.063 -1.308
156 HA LYS 18 HA LYS 18 8.620 0.469 -2.719
157 HB2 LYS 18 2HB LYS 18 7.182 2.677 -3.309
158 HB3 LYS 18 1HB LYS 18 8.794 3.386 -3.244
159 HG2 LYS 18 2HG LYS 18 8.713 2.698 -5.467
160 HG3 LYS 18 1HG LYS 18 9.446 1.284 -4.713
161 HD2 LYS 18 2HD LYS 18 7.264 0.182 -4.586
162 HD3 LYS 18 1HD LYS 18 6.480 1.615 -5.252
163 HE2 LYS 18 2HE LYS 18 7.763 1.373 -7.333
164 HE3 LYS 18 1HE LYS 18 8.586 -0.040 -6.673
165 HZ1 LYS 18 3HZ LYS 18 6.522 -0.361 -8.161
166 HZ2 LYS 18 1HZ LYS 18 5.646 0.045 -6.768
167 HZ3 LYS 18 2HZ LYS 18 6.681 -1.303 -6.756
168 H ARG 19 H ARG 19 9.323 3.121 -0.496
169 HA ARG 19 HA ARG 19 12.168 3.047 -1.039
170 HB2 ARG 19 2HB ARG 19 10.772 4.372 1.292
171 HB3 ARG 19 1HB ARG 19 12.358 4.757 0.625
172 HG2 ARG 19 2HG ARG 19 11.084 5.233 -1.584
173 HG3 ARG 19 1HG ARG 19 9.640 5.283 -0.572
174 HD2 ARG 19 2HD ARG 19 11.121 6.898 0.913
175 HD3 ARG 19 1HD ARG 19 12.004 7.127 -0.593
176 HE ARG 19 HE ARG 19 9.392 7.485 -1.314
177 HH11 ARG 19 1HH2 ARG 19 11.485 8.771 1.123
178 HH12 ARG 19 2HH2 ARG 19 10.703 10.315 1.177
179 HH21 ARG 19 1HH1 ARG 19 8.362 9.511 -1.252
180 HH22 ARG 19 2HH1 ARG 19 8.937 10.735 -0.168
181 H ILE 20 H ILE 20 9.919 1.649 1.231
182 HA ILE 20 HA ILE 20 11.962 0.737 3.056
183 HB ILE 20 HB ILE 20 9.230 1.200 3.223
184 HG12 ILE 20 2HG1 ILE 20 10.925 -0.447 5.115
185 HG13 ILE 20 1HG1 ILE 20 10.952 1.313 5.014
186 HG21 ILE 20 1HG2 ILE 20 8.180 -0.904 3.805
187 HG22 ILE 20 2HG2 ILE 20 9.683 -1.782 3.533
188 HG23 ILE 20 3HG2 ILE 20 8.832 -1.044 2.173
189 HD11 ILE 20 3HD1 ILE 20 8.410 1.206 5.402
190 HD12 ILE 20 1HD1 ILE 20 9.443 0.844 6.784
191 HD13 ILE 20 2HD1 ILE 20 8.678 -0.468 5.889
192 H VAL 21 H VAL 21 10.053 -0.595 0.425
193 HA VAL 21 HA VAL 21 11.126 -3.277 0.827
194 HB VAL 21 HB VAL 21 8.741 -2.770 0.107
195 HG11 VAL 21 1HG1 VAL 21 9.612 -2.612 -2.719
196 HG12 VAL 21 2HG1 VAL 21 9.914 -1.157 -1.768
197 HG13 VAL 21 3HG1 VAL 21 8.279 -1.797 -1.903
198 HG21 VAL 21 3HG2 VAL 21 8.844 -4.611 -1.708
199 HG22 VAL 21 1HG2 VAL 21 9.454 -5.015 -0.105
200 HG23 VAL 21 2HG2 VAL 21 10.580 -4.628 -1.404
201 H GLN 22 H GLN 22 13.254 -1.701 0.434
202 HA GLN 22 HA GLN 22 13.999 -1.294 -2.280
203 HB2 GLN 22 2HB GLN 22 15.782 -1.673 0.139
204 HB3 GLN 22 1HB GLN 22 16.258 -0.971 -1.406
205 HG2 GLN 22 2HG GLN 22 14.032 0.530 -0.756
206 HG3 GLN 22 1HG GLN 22 14.759 0.245 0.824
207 HE21 GLN 22 1HE2 GLN 22 14.867 2.312 -1.843
208 HE22 GLN 22 2HE2 GLN 22 16.407 2.978 -1.584
209 H ARG 23 H ARG 23 13.060 -3.574 -2.791
210 HA ARG 23 HA ARG 23 13.427 -5.726 -3.509
211 HB2 ARG 23 2HB ARG 23 16.267 -4.683 -3.627
212 HB3 ARG 23 1HB ARG 23 15.715 -6.186 -4.366
213 HG2 ARG 23 2HG ARG 23 13.956 -4.766 -5.576
214 HG3 ARG 23 1HG ARG 23 14.889 -3.362 -5.056
215 HD2 ARG 23 2HD ARG 23 15.664 -3.956 -7.257
216 HD3 ARG 23 1HD ARG 23 16.918 -4.429 -6.113
217 HE ARG 23 HE ARG 23 15.397 -6.685 -6.373
218 HH11 ARG 23 1HH2 ARG 23 16.981 -4.509 -8.549
219 HH12 ARG 23 2HH2 ARG 23 17.297 -5.718 -9.748
220 HH21 ARG 23 1HH1 ARG 23 15.808 -8.277 -7.943
221 HH22 ARG 23 2HH1 ARG 23 16.632 -7.850 -9.406
Start of MODEL 10
1 H1 LEU 1 1HT LEU 1 -18.684 1.547 4.774
2 H2 LEU 1 2HT LEU 1 -17.293 1.677 5.741
3 H3 LEU 1 3HT LEU 1 -18.141 0.210 5.662
4 HA LEU 1 HA LEU 1 -17.240 -0.408 3.734
5 HB2 LEU 1 2HB LEU 1 -16.783 1.091 1.882
6 HB3 LEU 1 1HB LEU 1 -18.371 1.447 2.536
7 HG LEU 1 HG LEU 1 -17.374 3.556 2.158
8 HD11 LEU 1 2HD1 LEU 1 -17.318 4.572 4.294
9 HD12 LEU 1 3HD1 LEU 1 -16.741 3.103 5.072
10 HD13 LEU 1 1HD1 LEU 1 -18.393 3.188 4.462
11 HD21 LEU 1 1HD2 LEU 1 -14.930 2.211 2.459
12 HD22 LEU 1 2HD2 LEU 1 -14.955 3.394 3.767
13 HD23 LEU 1 3HD2 LEU 1 -15.163 3.919 2.100
14 H LEU 2 H LEU 2 -15.179 -1.029 3.387
15 HA LEU 2 HA LEU 2 -13.055 0.452 4.827
16 HB2 LEU 2 2HB LEU 2 -13.682 -1.749 5.814
17 HB3 LEU 2 1HB LEU 2 -13.167 -2.509 4.309
18 HG LEU 2 HG LEU 2 -11.008 -1.048 4.673
19 HD11 LEU 2 1HD1 LEU 2 -11.890 -1.525 7.533
20 HD12 LEU 2 2HD1 LEU 2 -11.980 0.045 6.738
21 HD13 LEU 2 3HD1 LEU 2 -10.415 -0.724 6.996
22 HD21 LEU 2 3HD2 LEU 2 -10.907 -3.421 4.543
23 HD22 LEU 2 1HD2 LEU 2 -11.666 -3.599 6.125
24 HD23 LEU 2 2HD2 LEU 2 -10.033 -2.944 5.999
25 H GLY 3 H GLY 3 -13.703 -1.742 2.168
26 HA2 GLY 3 2HA GLY 3 -11.415 -2.020 0.829
27 HA3 GLY 3 1HA GLY 3 -12.896 -1.624 -0.040
28 H ASP 4 H ASP 4 -13.176 1.031 1.114
29 HA ASP 4 HA ASP 4 -11.539 2.494 -0.720
30 HB2 ASP 4 2HB ASP 4 -13.876 3.097 0.284
31 HB3 ASP 4 1HB ASP 4 -12.936 3.763 1.619
32 H PHE 5 H PHE 5 -11.504 1.964 2.774
33 HA PHE 5 HA PHE 5 -9.463 3.696 3.541
34 HB2 PHE 5 2HB PHE 5 -10.337 2.743 5.416
35 HB3 PHE 5 1HB PHE 5 -10.697 1.231 4.609
36 HD1 PHE 5 2HD PHE 5 -8.900 -0.504 4.322
37 HD2 PHE 5 1HD PHE 5 -8.292 3.083 6.606
38 HE1 PHE 5 2HE PHE 5 -6.900 -1.512 5.380
39 HE2 PHE 5 1HE PHE 5 -6.291 2.072 7.664
40 HZ PHE 5 HZ PHE 5 -5.594 -0.227 7.049
41 H PHE 6 H PHE 6 -9.231 0.307 2.510
42 HA PHE 6 HA PHE 6 -6.459 0.033 2.687
43 HB2 PHE 6 2HB PHE 6 -8.649 -1.360 1.256
44 HB3 PHE 6 1HB PHE 6 -7.029 -1.611 0.610
45 HD1 PHE 6 1HD PHE 6 -5.169 -1.917 2.573
46 HD2 PHE 6 2HD PHE 6 -9.347 -2.870 2.883
47 HE1 PHE 6 1HE PHE 6 -4.672 -3.498 4.419
48 HE2 PHE 6 2HE PHE 6 -8.848 -4.453 4.727
49 HZ PHE 6 HZ PHE 6 -6.516 -4.762 5.498
50 H ARG 7 H ARG 7 -8.435 1.056 -0.107
51 HA ARG 7 HA ARG 7 -6.425 1.319 -1.993
52 HB2 ARG 7 2HB ARG 7 -8.916 2.961 -1.521
53 HB3 ARG 7 1HB ARG 7 -7.854 3.233 -2.903
54 HG2 ARG 7 2HG ARG 7 -8.108 0.752 -3.431
55 HG3 ARG 7 1HG ARG 7 -9.396 0.720 -2.226
56 HD2 ARG 7 2HD ARG 7 -9.314 2.130 -4.875
57 HD3 ARG 7 1HD ARG 7 -10.602 1.151 -4.174
58 HE ARG 7 HE ARG 7 -10.446 3.301 -2.497
59 HH11 ARG 7 1HH2 ARG 7 -10.760 2.853 -5.914
60 HH12 ARG 7 2HH2 ARG 7 -11.676 4.303 -6.160
61 HH21 ARG 7 1HH1 ARG 7 -11.646 5.204 -2.812
62 HH22 ARG 7 2HH1 ARG 7 -12.177 5.634 -4.403
63 H LYS 8 H LYS 8 -7.395 3.581 0.551
64 HA LYS 8 HA LYS 8 -5.541 5.624 -0.200
65 HB2 LYS 8 2HB LYS 8 -7.484 6.217 1.112
66 HB3 LYS 8 1HB LYS 8 -7.021 5.089 2.385
67 HG2 LYS 8 2HG LYS 8 -5.116 6.393 2.987
68 HG3 LYS 8 1HG LYS 8 -5.234 7.371 1.523
69 HD2 LYS 8 2HD LYS 8 -7.165 8.502 2.296
70 HD3 LYS 8 1HD LYS 8 -7.471 7.299 3.550
71 HE2 LYS 8 2HE LYS 8 -4.969 8.996 3.525
72 HE3 LYS 8 1HE LYS 8 -6.448 9.511 4.336
73 HZ1 LYS 8 3HZ LYS 8 -5.380 8.413 6.014
74 HZ2 LYS 8 1HZ LYS 8 -4.655 7.279 4.980
75 HZ3 LYS 8 2HZ LYS 8 -6.305 7.142 5.369
76 H SER 9 H SER 9 -5.503 2.942 2.111
77 HA SER 9 HA SER 9 -2.951 3.623 3.228
78 HB2 SER 9 2HB SER 9 -4.792 2.191 4.296
79 HB3 SER 9 1HB SER 9 -4.216 0.886 3.264
80 HG SER 9 HG SER 9 -2.988 2.164 5.422
81 H LYS 10 H LYS 10 -4.029 1.083 0.953
82 HA LYS 10 HA LYS 10 -1.578 -0.090 0.433
83 HB2 LYS 10 2HB LYS 10 -4.151 0.135 -0.998
84 HB3 LYS 10 1HB LYS 10 -2.763 -0.173 -2.040
85 HG2 LYS 10 2HG LYS 10 -2.232 -2.193 -0.955
86 HG3 LYS 10 1HG LYS 10 -3.168 -1.778 0.481
87 HD2 LYS 10 2HD LYS 10 -5.186 -2.357 -0.491
88 HD3 LYS 10 1HD LYS 10 -4.631 -1.990 -2.122
89 HE2 LYS 10 2HE LYS 10 -4.948 -4.483 -1.489
90 HE3 LYS 10 1HE LYS 10 -3.453 -4.027 -2.307
91 HZ1 LYS 10 3HZ LYS 10 -3.612 -5.359 0.045
92 HZ2 LYS 10 1HZ LYS 10 -3.321 -3.766 0.551
93 HZ3 LYS 10 2HZ LYS 10 -2.243 -4.526 -0.521
94 H GLU 11 H GLU 11 -2.942 2.906 -0.832
95 HA GLU 11 HA GLU 11 -0.843 3.353 -2.743
96 HB2 GLU 11 2HB GLU 11 -2.997 5.102 -1.551
97 HB3 GLU 11 1HB GLU 11 -1.781 5.743 -2.658
98 HG2 GLU 11 2HG GLU 11 -2.463 4.223 -4.401
99 HG3 GLU 11 1HG GLU 11 -3.525 3.352 -3.297
100 H LYS 12 H LYS 12 -1.606 4.623 0.494
101 HA LYS 12 HA LYS 12 0.593 6.328 0.781
102 HB2 LYS 12 2HB LYS 12 -1.503 5.943 2.308
103 HB3 LYS 12 1HB LYS 12 -0.481 4.747 3.101
104 HG2 LYS 12 2HG LYS 12 0.076 6.622 4.339
105 HG3 LYS 12 1HG LYS 12 1.290 6.733 3.065
106 HD2 LYS 12 2HD LYS 12 -0.402 8.171 1.785
107 HD3 LYS 12 1HD LYS 12 -1.310 8.259 3.294
108 HE2 LYS 12 2HE LYS 12 0.099 10.190 3.268
109 HE3 LYS 12 1HE LYS 12 0.849 9.058 4.394
110 HZ1 LYS 12 3HZ LYS 12 2.489 8.509 2.881
111 HZ2 LYS 12 1HZ LYS 12 2.305 10.175 2.623
112 HZ3 LYS 12 2HZ LYS 12 1.603 9.066 1.543
113 H ILE 13 H ILE 13 0.221 2.909 1.756
114 HA ILE 13 HA ILE 13 2.806 2.531 2.749
115 HB ILE 13 HB ILE 13 0.660 0.756 1.625
116 HG12 ILE 13 2HG1 ILE 13 1.041 -0.263 3.984
117 HG13 ILE 13 1HG1 ILE 13 1.961 1.204 4.312
118 HG21 ILE 13 1HG2 ILE 13 2.134 -1.191 2.270
119 HG22 ILE 13 2HG2 ILE 13 3.475 -0.050 2.338
120 HG23 ILE 13 3HG2 ILE 13 2.630 -0.330 0.813
121 HD11 ILE 13 3HD1 ILE 13 -0.042 2.541 3.617
122 HD12 ILE 13 1HD1 ILE 13 -0.331 1.539 5.037
123 HD13 ILE 13 2HD1 ILE 13 -0.941 1.032 3.464
124 H GLY 14 H GLY 14 1.462 2.503 -0.491
125 HA2 GLY 14 2HA GLY 14 3.465 1.214 -1.920
126 HA3 GLY 14 1HA GLY 14 2.476 2.527 -2.558
127 H LYS 15 H LYS 15 3.183 4.610 -0.980
128 HA LYS 15 HA LYS 15 5.591 5.501 -2.138
129 HB2 LYS 15 2HB LYS 15 4.381 6.634 0.377
130 HB3 LYS 15 1HB LYS 15 5.234 7.487 -0.909
131 HG2 LYS 15 2HG LYS 15 2.468 6.271 -1.010
132 HG3 LYS 15 1HG LYS 15 2.910 7.963 -1.226
133 HD2 LYS 15 2HD LYS 15 4.330 7.092 -3.232
134 HD3 LYS 15 1HD LYS 15 3.320 5.653 -3.116
135 HE2 LYS 15 2HE LYS 15 1.301 7.161 -3.230
136 HE3 LYS 15 1HE LYS 15 2.395 8.501 -3.574
137 HZ1 LYS 15 3HZ LYS 15 1.316 6.862 -5.427
138 HZ2 LYS 15 1HZ LYS 15 2.851 6.175 -5.207
139 HZ3 LYS 15 2HZ LYS 15 2.709 7.808 -5.655
140 H GLU 16 H GLU 16 4.884 4.727 1.285
141 HA GLU 16 HA GLU 16 7.584 4.876 2.123
142 HB2 GLU 16 2HB GLU 16 5.096 3.623 3.255
143 HB3 GLU 16 1HB GLU 16 6.657 3.302 4.007
144 HG2 GLU 16 2HG GLU 16 5.645 5.213 5.110
145 HG3 GLU 16 1HG GLU 16 7.030 5.772 4.175
146 H PHE 17 H PHE 17 5.526 2.167 1.137
147 HA PHE 17 HA PHE 17 7.253 0.043 1.520
148 HB2 PHE 17 2HB PHE 17 4.948 -0.228 0.780
149 HB3 PHE 17 1HB PHE 17 5.337 0.500 -0.774
150 HD1 PHE 17 1HD PHE 17 5.790 -2.421 1.405
151 HD2 PHE 17 2HD PHE 17 6.587 -0.727 -2.456
152 HE1 PHE 17 1HE PHE 17 6.455 -4.654 0.573
153 HE2 PHE 17 2HE PHE 17 7.257 -2.958 -3.294
154 HZ PHE 17 HZ PHE 17 7.196 -4.927 -1.783
155 H LYS 18 H LYS 18 7.246 2.475 -1.042
156 HA LYS 18 HA LYS 18 9.125 1.088 -2.690
157 HB2 LYS 18 2HB LYS 18 7.441 3.151 -3.126
158 HB3 LYS 18 1HB LYS 18 8.941 4.045 -2.895
159 HG2 LYS 18 2HG LYS 18 9.042 3.605 -5.178
160 HG3 LYS 18 1HG LYS 18 9.923 2.219 -4.538
161 HD2 LYS 18 2HD LYS 18 7.660 1.004 -4.494
162 HD3 LYS 18 1HD LYS 18 7.058 2.326 -5.494
163 HE2 LYS 18 2HE LYS 18 7.812 0.449 -6.900
164 HE3 LYS 18 1HE LYS 18 8.825 1.870 -7.160
165 HZ1 LYS 18 3HZ LYS 18 10.600 0.887 -6.231
166 HZ2 LYS 18 1HZ LYS 18 9.789 -0.551 -6.621
167 HZ3 LYS 18 2HZ LYS 18 9.686 0.080 -5.047
168 H ARG 19 H ARG 19 9.512 3.999 -0.614
169 HA ARG 19 HA ARG 19 12.337 4.025 -0.955
170 HB2 ARG 19 2HB ARG 19 12.375 5.880 0.443
171 HB3 ARG 19 1HB ARG 19 10.754 5.954 -0.232
172 HG2 ARG 19 2HG ARG 19 9.802 5.015 1.788
173 HG3 ARG 19 1HG ARG 19 11.397 4.667 2.439
174 HD2 ARG 19 2HD ARG 19 11.469 6.703 3.371
175 HD3 ARG 19 1HD ARG 19 11.384 7.437 1.778
176 HE ARG 19 HE ARG 19 9.414 7.631 3.706
177 HH11 ARG 19 1HH2 ARG 19 9.585 6.402 0.473
178 HH12 ARG 19 2HH2 ARG 19 7.913 6.689 0.136
179 HH21 ARG 19 1HH1 ARG 19 7.235 8.008 3.264
180 HH22 ARG 19 2HH1 ARG 19 6.585 7.596 1.713
181 H ILE 20 H ILE 20 10.249 2.798 1.655
182 HA ILE 20 HA ILE 20 12.277 2.064 3.425
183 HB ILE 20 HB ILE 20 9.647 2.087 3.628
184 HG12 ILE 20 2HG1 ILE 20 11.440 0.088 5.030
185 HG13 ILE 20 1HG1 ILE 20 11.202 1.780 5.471
186 HG21 ILE 20 1HG2 ILE 20 9.460 0.199 1.945
187 HG22 ILE 20 2HG2 ILE 20 8.606 -0.057 3.465
188 HG23 ILE 20 3HG2 ILE 20 10.148 -0.861 3.175
189 HD11 ILE 20 3HD1 ILE 20 9.769 0.522 6.916
190 HD12 ILE 20 1HD1 ILE 20 9.171 -0.458 5.577
191 HD13 ILE 20 2HD1 ILE 20 8.720 1.243 5.695
192 H VAL 21 H VAL 21 10.811 0.249 0.735
193 HA VAL 21 HA VAL 21 12.555 -2.035 1.217
194 HB VAL 21 HB VAL 21 10.545 -1.480 -0.982
195 HG11 VAL 21 1HG1 VAL 21 10.900 -4.190 -0.927
196 HG12 VAL 21 2HG1 VAL 21 12.535 -3.635 -0.568
197 HG13 VAL 21 3HG1 VAL 21 11.731 -3.113 -2.048
198 HG21 VAL 21 3HG2 VAL 21 9.312 -1.795 1.008
199 HG22 VAL 21 1HG2 VAL 21 10.460 -2.971 1.642
200 HG23 VAL 21 2HG2 VAL 21 9.379 -3.414 0.322
201 H GLN 22 H GLN 22 13.734 0.564 0.592
202 HA GLN 22 HA GLN 22 15.081 1.621 -1.004
203 HB2 GLN 22 2HB GLN 22 16.452 -1.047 -0.979
204 HB3 GLN 22 1HB GLN 22 17.160 0.568 -0.922
205 HG2 GLN 22 2HG GLN 22 15.979 0.843 1.331
206 HG3 GLN 22 1HG GLN 22 15.687 -0.895 1.273
207 HE21 GLN 22 1HE2 GLN 22 18.270 1.562 1.421
208 HE22 GLN 22 2HE2 GLN 22 19.475 0.494 1.959
209 H ARG 23 H ARG 23 13.082 1.201 -2.571
210 HA ARG 23 HA ARG 23 12.451 0.871 -4.755
211 HB2 ARG 23 2HB ARG 23 15.298 0.088 -5.365
212 HB3 ARG 23 1HB ARG 23 14.119 0.852 -6.428
213 HG2 ARG 23 2HG ARG 23 14.134 2.827 -4.806
214 HG3 ARG 23 1HG ARG 23 15.552 2.084 -4.067
215 HD2 ARG 23 2HD ARG 23 16.195 1.999 -6.748
216 HD3 ARG 23 1HD ARG 23 15.316 3.521 -6.626
217 HE ARG 23 HE ARG 23 17.054 3.601 -4.515
218 HH11 ARG 23 1HH2 ARG 23 17.313 3.047 -7.921
219 HH12 ARG 23 2HH2 ARG 23 18.910 3.705 -8.047
220 HH21 ARG 23 1HH1 ARG 23 19.148 4.464 -4.672
221 HH22 ARG 23 2HH1 ARG 23 19.950 4.508 -6.206
Start of MODEL 11
1 H1 LEU 1 1HT LEU 1 -18.182 2.260 2.705
2 H2 LEU 1 2HT LEU 1 -16.643 2.886 3.053
3 H3 LEU 1 3HT LEU 1 -17.554 2.134 4.274
4 HA LEU 1 HA LEU 1 -17.239 0.018 3.408
5 HB2 LEU 1 2HB LEU 1 -16.619 1.555 0.899
6 HB3 LEU 1 1HB LEU 1 -15.984 -0.077 1.088
7 HG LEU 1 HG LEU 1 -18.194 0.001 -0.092
8 HD11 LEU 1 2HD1 LEU 1 -18.879 -1.981 0.843
9 HD12 LEU 1 3HD1 LEU 1 -18.786 -1.368 2.492
10 HD13 LEU 1 1HD1 LEU 1 -17.317 -1.855 1.646
11 HD21 LEU 1 1HD2 LEU 1 -19.272 0.848 2.614
12 HD22 LEU 1 2HD2 LEU 1 -20.196 0.594 1.134
13 HD23 LEU 1 3HD2 LEU 1 -19.068 1.944 1.246
14 H LEU 2 H LEU 2 -15.282 -1.192 3.569
15 HA LEU 2 HA LEU 2 -13.103 0.318 4.759
16 HB2 LEU 2 2HB LEU 2 -13.817 -1.767 5.793
17 HB3 LEU 2 1HB LEU 2 -13.455 -2.651 4.315
18 HG LEU 2 HG LEU 2 -11.223 -0.992 5.147
19 HD11 LEU 2 1HD1 LEU 2 -12.108 -1.448 7.409
20 HD12 LEU 2 2HD1 LEU 2 -10.583 -2.290 7.139
21 HD13 LEU 2 3HD1 LEU 2 -12.106 -3.175 7.054
22 HD21 LEU 2 3HD2 LEU 2 -11.439 -3.989 4.851
23 HD22 LEU 2 1HD2 LEU 2 -9.972 -3.015 4.764
24 HD23 LEU 2 2HD2 LEU 2 -11.198 -2.875 3.505
25 H GLY 3 H GLY 3 -13.354 -2.123 2.231
26 HA2 GLY 3 2HA GLY 3 -10.902 -2.284 1.172
27 HA3 GLY 3 1HA GLY 3 -12.314 -2.175 0.122
28 H ASP 4 H ASP 4 -13.027 0.521 0.896
29 HA ASP 4 HA ASP 4 -11.467 2.003 -0.950
30 HB2 ASP 4 2HB ASP 4 -13.357 2.909 1.236
31 HB3 ASP 4 1HB ASP 4 -12.659 3.982 0.024
32 H PHE 5 H PHE 5 -11.495 1.759 2.577
33 HA PHE 5 HA PHE 5 -9.623 3.721 3.233
34 HB2 PHE 5 2HB PHE 5 -10.222 2.896 5.244
35 HB3 PHE 5 1HB PHE 5 -10.837 1.423 4.525
36 HD1 PHE 5 1HD PHE 5 -9.287 -0.527 4.154
37 HD2 PHE 5 2HD PHE 5 -8.069 3.010 6.263
38 HE1 PHE 5 1HE PHE 5 -7.350 -1.750 5.099
39 HE2 PHE 5 2HE PHE 5 -6.128 1.788 7.199
40 HZ PHE 5 HZ PHE 5 -5.768 -0.595 6.616
41 H PHE 6 H PHE 6 -9.146 0.294 2.489
42 HA PHE 6 HA PHE 6 -6.397 0.138 2.745
43 HB2 PHE 6 2HB PHE 6 -8.470 -1.335 1.242
44 HB3 PHE 6 1HB PHE 6 -6.842 -1.489 0.587
45 HD1 PHE 6 1HD PHE 6 -5.024 -1.594 2.738
46 HD2 PHE 6 2HD PHE 6 -9.041 -3.110 2.620
47 HE1 PHE 6 1HE PHE 6 -4.448 -3.243 4.494
48 HE2 PHE 6 2HE PHE 6 -8.464 -4.761 4.381
49 HZ PHE 6 HZ PHE 6 -6.170 -4.828 5.319
50 H ARG 7 H ARG 7 -8.237 0.980 -0.192
51 HA ARG 7 HA ARG 7 -6.112 1.362 -1.921
52 HB2 ARG 7 2HB ARG 7 -7.823 1.875 -3.287
53 HB3 ARG 7 1HB ARG 7 -8.899 1.940 -1.895
54 HG2 ARG 7 2HG ARG 7 -8.319 4.310 -1.545
55 HG3 ARG 7 1HG ARG 7 -7.222 4.252 -2.926
56 HD2 ARG 7 2HD ARG 7 -9.941 4.903 -3.008
57 HD3 ARG 7 1HD ARG 7 -8.921 4.518 -4.392
58 HE ARG 7 HE ARG 7 -9.704 2.068 -3.491
59 HH11 ARG 7 1HH2 ARG 7 -11.324 5.012 -4.321
60 HH12 ARG 7 2HH2 ARG 7 -12.768 4.224 -4.865
61 HH21 ARG 7 1HH1 ARG 7 -11.594 1.030 -4.202
62 HH22 ARG 7 2HH1 ARG 7 -12.920 1.970 -4.798
63 H LYS 8 H LYS 8 -7.424 3.590 0.497
64 HA LYS 8 HA LYS 8 -5.720 5.774 -0.234
65 HB2 LYS 8 2HB LYS 8 -7.476 5.146 2.126
66 HB3 LYS 8 1HB LYS 8 -6.369 6.518 2.185
67 HG2 LYS 8 2HG LYS 8 -7.401 7.550 0.288
68 HG3 LYS 8 1HG LYS 8 -8.320 6.094 -0.087
69 HD2 LYS 8 2HD LYS 8 -9.714 7.823 1.038
70 HD3 LYS 8 1HD LYS 8 -9.610 6.334 1.976
71 HE2 LYS 8 2HE LYS 8 -7.639 8.556 2.461
72 HE3 LYS 8 1HE LYS 8 -9.242 8.622 3.192
73 HZ1 LYS 8 3HZ LYS 8 -8.489 7.266 4.752
74 HZ2 LYS 8 1HZ LYS 8 -7.007 7.067 3.952
75 HZ3 LYS 8 2HZ LYS 8 -8.314 6.048 3.581
76 H SER 9 H SER 9 -5.599 3.234 2.243
77 HA SER 9 HA SER 9 -3.136 4.154 3.385
78 HB2 SER 9 2HB SER 9 -4.513 1.465 3.570
79 HB3 SER 9 1HB SER 9 -3.152 1.980 4.563
80 HG SER 9 HG SER 9 -4.871 2.539 5.754
81 H LYS 10 H LYS 10 -3.980 1.415 1.250
82 HA LYS 10 HA LYS 10 -1.449 0.356 0.874
83 HB2 LYS 10 2HB LYS 10 -3.881 0.517 -0.884
84 HB3 LYS 10 1HB LYS 10 -2.389 -0.190 -1.506
85 HG2 LYS 10 2HG LYS 10 -2.377 -1.891 0.156
86 HG3 LYS 10 1HG LYS 10 -3.578 -1.051 1.131
87 HD2 LYS 10 2HD LYS 10 -4.861 -2.716 0.094
88 HD3 LYS 10 1HD LYS 10 -5.122 -1.332 -0.964
89 HE2 LYS 10 2HE LYS 10 -2.833 -2.445 -2.033
90 HE3 LYS 10 1HE LYS 10 -3.735 -3.869 -1.514
91 HZ1 LYS 10 3HZ LYS 10 -5.415 -3.447 -2.956
92 HZ2 LYS 10 1HZ LYS 10 -4.156 -2.727 -3.834
93 HZ3 LYS 10 2HZ LYS 10 -5.205 -1.762 -2.908
94 H GLU 11 H GLU 11 -2.937 3.190 -0.608
95 HA GLU 11 HA GLU 11 -0.892 3.650 -2.539
96 HB2 GLU 11 2HB GLU 11 -3.055 5.336 -1.301
97 HB3 GLU 11 1HB GLU 11 -1.824 6.087 -2.316
98 HG2 GLU 11 2HG GLU 11 -2.417 4.740 -4.200
99 HG3 GLU 11 1HG GLU 11 -3.419 3.678 -3.211
100 H LYS 12 H LYS 12 -1.468 4.804 0.765
101 HA LYS 12 HA LYS 12 0.776 6.520 0.926
102 HB2 LYS 12 2HB LYS 12 -0.857 5.071 3.011
103 HB3 LYS 12 1HB LYS 12 0.500 6.115 3.440
104 HG2 LYS 12 2HG LYS 12 -0.563 7.984 2.211
105 HG3 LYS 12 1HG LYS 12 -1.932 6.940 1.828
106 HD2 LYS 12 2HD LYS 12 -2.610 6.801 4.090
107 HD3 LYS 12 1HD LYS 12 -1.056 7.391 4.680
108 HE2 LYS 12 2HE LYS 12 -1.496 9.609 3.878
109 HE3 LYS 12 1HE LYS 12 -2.910 9.068 2.974
110 HZ1 LYS 12 3HZ LYS 12 -3.832 9.943 4.877
111 HZ2 LYS 12 1HZ LYS 12 -2.579 9.395 5.881
112 HZ3 LYS 12 2HZ LYS 12 -3.726 8.295 5.279
113 H ILE 13 H ILE 13 0.320 3.089 1.777
114 HA ILE 13 HA ILE 13 2.933 2.671 2.766
115 HB ILE 13 HB ILE 13 0.711 0.915 1.751
116 HG12 ILE 13 2HG1 ILE 13 1.123 -0.006 4.159
117 HG13 ILE 13 1HG1 ILE 13 2.036 1.482 4.403
118 HG21 ILE 13 1HG2 ILE 13 3.530 0.109 2.433
119 HG22 ILE 13 2HG2 ILE 13 2.620 -0.262 0.968
120 HG23 ILE 13 3HG2 ILE 13 2.179 -1.020 2.498
121 HD11 ILE 13 3HD1 ILE 13 0.065 2.807 3.770
122 HD12 ILE 13 1HD1 ILE 13 -0.323 1.730 5.111
123 HD13 ILE 13 2HD1 ILE 13 -0.847 1.324 3.478
124 H GLY 14 H GLY 14 1.426 2.413 -0.424
125 HA2 GLY 14 2HA GLY 14 3.381 1.093 -1.856
126 HA3 GLY 14 1HA GLY 14 2.370 2.371 -2.530
127 H LYS 15 H LYS 15 3.171 4.600 -1.228
128 HA LYS 15 HA LYS 15 5.602 5.260 -2.517
129 HB2 LYS 15 2HB LYS 15 3.795 6.596 -0.547
130 HB3 LYS 15 1HB LYS 15 5.424 7.244 -0.730
131 HG2 LYS 15 2HG LYS 15 3.869 8.372 -2.268
132 HG3 LYS 15 1HG LYS 15 5.065 7.442 -3.170
133 HD2 LYS 15 2HD LYS 15 3.496 5.655 -3.557
134 HD3 LYS 15 1HD LYS 15 2.324 6.374 -2.452
135 HE2 LYS 15 2HE LYS 15 1.660 6.884 -4.739
136 HE3 LYS 15 1HE LYS 15 2.200 8.369 -3.956
137 HZ1 LYS 15 3HZ LYS 15 4.485 7.379 -4.990
138 HZ2 LYS 15 1HZ LYS 15 3.523 8.566 -5.725
139 HZ3 LYS 15 2HZ LYS 15 3.349 6.936 -6.174
140 H GLU 16 H GLU 16 4.895 4.900 0.970
141 HA GLU 16 HA GLU 16 7.552 5.059 1.860
142 HB2 GLU 16 2HB GLU 16 5.145 3.616 2.984
143 HB3 GLU 16 1HB GLU 16 6.693 3.705 3.825
144 HG2 GLU 16 2HG GLU 16 6.589 6.171 3.752
145 HG3 GLU 16 1HG GLU 16 5.032 6.078 2.932
146 H PHE 17 H PHE 17 5.561 2.226 1.079
147 HA PHE 17 HA PHE 17 7.322 0.170 1.521
148 HB2 PHE 17 2HB PHE 17 4.990 -0.058 0.749
149 HB3 PHE 17 1HB PHE 17 5.497 0.472 -0.843
150 HD1 PHE 17 1HD PHE 17 6.007 -2.137 1.747
151 HD2 PHE 17 2HD PHE 17 6.439 -1.076 -2.390
152 HE1 PHE 17 1HE PHE 17 6.590 -4.484 1.212
153 HE2 PHE 17 2HE PHE 17 7.027 -3.422 -2.929
154 HZ PHE 17 HZ PHE 17 7.103 -5.130 -1.129
155 H LYS 18 H LYS 18 7.045 2.149 -1.435
156 HA LYS 18 HA LYS 18 9.171 0.876 -2.806
157 HB2 LYS 18 2HB LYS 18 7.298 2.764 -3.465
158 HB3 LYS 18 1HB LYS 18 8.756 3.749 -3.375
159 HG2 LYS 18 2HG LYS 18 8.822 3.023 -5.592
160 HG3 LYS 18 1HG LYS 18 9.821 1.807 -4.799
161 HD2 LYS 18 2HD LYS 18 7.695 0.416 -4.541
162 HD3 LYS 18 1HD LYS 18 6.923 1.563 -5.636
163 HE2 LYS 18 2HE LYS 18 8.582 1.077 -7.367
164 HE3 LYS 18 1HE LYS 18 9.438 -0.007 -6.271
165 HZ1 LYS 18 3HZ LYS 18 8.121 -1.438 -7.483
166 HZ2 LYS 18 1HZ LYS 18 6.811 -0.363 -7.553
167 HZ3 LYS 18 2HZ LYS 18 7.167 -1.175 -6.103
168 H ARG 19 H ARG 19 9.090 3.143 -0.220
169 HA ARG 19 HA ARG 19 11.877 3.952 -0.639
170 HB2 ARG 19 2HB ARG 19 11.023 5.890 0.122
171 HB3 ARG 19 1HB ARG 19 9.539 5.105 0.649
172 HG2 ARG 19 2HG ARG 19 10.572 4.443 2.744
173 HG3 ARG 19 1HG ARG 19 12.137 5.062 2.214
174 HD2 ARG 19 2HD ARG 19 11.047 7.332 1.981
175 HD3 ARG 19 1HD ARG 19 9.624 6.655 2.769
176 HE ARG 19 HE ARG 19 11.666 6.050 4.484
177 HH11 ARG 19 1HH2 ARG 19 10.503 8.918 2.936
178 HH12 ARG 19 2HH2 ARG 19 10.998 9.976 4.216
179 HH21 ARG 19 1HH1 ARG 19 12.316 7.430 6.166
180 HH22 ARG 19 2HH1 ARG 19 12.025 9.134 6.045
181 H ILE 20 H ILE 20 9.883 1.974 1.503
182 HA ILE 20 HA ILE 20 11.998 1.606 3.430
183 HB ILE 20 HB ILE 20 10.465 0.482 4.710
184 HG12 ILE 20 2HG1 ILE 20 9.310 -0.639 2.139
185 HG13 ILE 20 1HG1 ILE 20 10.265 -1.505 3.340
186 HG21 ILE 20 1HG2 ILE 20 9.395 2.627 3.434
187 HG22 ILE 20 2HG2 ILE 20 8.531 1.704 4.658
188 HG23 ILE 20 3HG2 ILE 20 8.249 1.380 2.958
189 HD11 ILE 20 3HD1 ILE 20 8.456 -0.950 5.026
190 HD12 ILE 20 1HD1 ILE 20 7.964 -2.064 3.752
191 HD13 ILE 20 2HD1 ILE 20 7.478 -0.372 3.680
192 H VAL 21 H VAL 21 10.517 -0.397 0.895
193 HA VAL 21 HA VAL 21 12.759 -2.302 1.150
194 HB VAL 21 HB VAL 21 10.547 -3.299 1.367
195 HG11 VAL 21 1HG1 VAL 21 8.963 -2.033 0.276
196 HG12 VAL 21 2HG1 VAL 21 9.234 -3.244 -0.973
197 HG13 VAL 21 3HG1 VAL 21 10.023 -1.676 -1.087
198 HG21 VAL 21 3HG2 VAL 21 11.028 -5.118 0.048
199 HG22 VAL 21 1HG2 VAL 21 12.543 -4.248 -0.191
200 HG23 VAL 21 2HG2 VAL 21 11.265 -4.145 -1.401
201 H GLN 22 H GLN 22 13.674 -0.125 0.002
202 HA GLN 22 HA GLN 22 13.248 0.189 -2.770
203 HB2 GLN 22 2HB GLN 22 15.887 0.760 -1.447
204 HB3 GLN 22 1HB GLN 22 15.072 1.658 -2.729
205 HG2 GLN 22 2HG GLN 22 13.223 2.120 -1.014
206 HG3 GLN 22 1HG GLN 22 14.357 1.538 0.203
207 HE21 GLN 22 1HE2 GLN 22 14.906 3.516 1.231
208 HE22 GLN 22 2HE2 GLN 22 15.608 4.828 0.416
209 H ARG 23 H ARG 23 13.231 -1.884 -3.707
210 HA ARG 23 HA ARG 23 15.183 -3.856 -3.469
211 HB2 ARG 23 2HB ARG 23 14.442 -4.479 -5.842
212 HB3 ARG 23 1HB ARG 23 13.185 -4.431 -4.604
213 HG2 ARG 23 2HG ARG 23 12.423 -2.277 -5.336
214 HG3 ARG 23 1HG ARG 23 13.825 -2.070 -6.387
215 HD2 ARG 23 2HD ARG 23 13.084 -3.848 -7.843
216 HD3 ARG 23 1HD ARG 23 11.792 -4.288 -6.729
217 HE ARG 23 HE ARG 23 11.259 -1.676 -7.333
218 HH11 ARG 23 1HH2 ARG 23 11.874 -4.554 -9.152
219 HH12 ARG 23 2HH2 ARG 23 10.874 -4.090 -10.489
220 HH21 ARG 23 1HH1 ARG 23 9.944 -1.060 -9.080
221 HH22 ARG 23 2HH1 ARG 23 9.782 -2.111 -10.447
Start of MODEL 12
1 H1 LEU 1 1HT LEU 1 -17.254 0.357 2.657
2 H2 LEU 1 2HT LEU 1 -18.362 -0.753 2.004
3 H3 LEU 1 3HT LEU 1 -18.002 0.684 1.171
4 HA LEU 1 HA LEU 1 -16.616 -1.826 1.180
5 HB2 LEU 1 2HB LEU 1 -16.785 0.656 -0.526
6 HB3 LEU 1 1HB LEU 1 -15.587 -0.593 -0.870
7 HG LEU 1 HG LEU 1 -17.399 -2.281 -0.985
8 HD11 LEU 1 2HD1 LEU 1 -19.766 -1.270 -1.183
9 HD12 LEU 1 3HD1 LEU 1 -19.090 0.147 -0.380
10 HD13 LEU 1 1HD1 LEU 1 -19.086 -1.416 0.437
11 HD21 LEU 1 1HD2 LEU 1 -16.731 -1.279 -3.074
12 HD22 LEU 1 2HD2 LEU 1 -17.678 0.172 -2.744
13 HD23 LEU 1 3HD2 LEU 1 -18.493 -1.356 -3.078
14 H LEU 2 H LEU 2 -15.203 -1.878 2.937
15 HA LEU 2 HA LEU 2 -13.479 0.207 3.728
16 HB2 LEU 2 2HB LEU 2 -13.999 -1.828 5.071
17 HB3 LEU 2 1HB LEU 2 -12.943 -2.740 3.996
18 HG LEU 2 HG LEU 2 -11.231 -0.837 4.476
19 HD11 LEU 2 1HD1 LEU 2 -13.132 -0.617 6.829
20 HD12 LEU 2 2HD1 LEU 2 -12.637 0.676 5.739
21 HD13 LEU 2 3HD1 LEU 2 -11.474 -0.020 6.864
22 HD21 LEU 2 3HD2 LEU 2 -11.973 -2.953 6.484
23 HD22 LEU 2 1HD2 LEU 2 -10.457 -2.055 6.509
24 HD23 LEU 2 2HD2 LEU 2 -10.838 -3.104 5.142
25 H GLY 3 H GLY 3 -12.962 -2.555 1.632
26 HA2 GLY 3 2HA GLY 3 -10.367 -2.580 1.015
27 HA3 GLY 3 1HA GLY 3 -11.573 -2.698 -0.263
28 H ASP 4 H ASP 4 -12.589 0.005 0.073
29 HA ASP 4 HA ASP 4 -10.688 1.408 -1.563
30 HB2 ASP 4 2HB ASP 4 -13.284 2.240 -0.253
31 HB3 ASP 4 1HB ASP 4 -12.321 3.324 -1.254
32 H PHE 5 H PHE 5 -11.782 1.596 1.788
33 HA PHE 5 HA PHE 5 -10.456 3.888 2.650
34 HB2 PHE 5 2HB PHE 5 -11.797 3.070 4.321
35 HB3 PHE 5 1HB PHE 5 -11.474 1.399 3.912
36 HD1 PHE 5 2HD PHE 5 -9.345 0.298 4.693
37 HD2 PHE 5 1HD PHE 5 -10.497 4.242 5.944
38 HE1 PHE 5 2HE PHE 5 -7.718 0.186 6.557
39 HE2 PHE 5 1HE PHE 5 -8.869 4.129 7.809
40 HZ PHE 5 HZ PHE 5 -7.478 2.099 8.116
41 H PHE 6 H PHE 6 -9.327 0.530 2.575
42 HA PHE 6 HA PHE 6 -6.731 1.070 3.563
43 HB2 PHE 6 2HB PHE 6 -8.140 -1.215 2.321
44 HB3 PHE 6 1HB PHE 6 -6.395 -1.209 2.092
45 HD1 PHE 6 1HD PHE 6 -5.159 -0.277 4.422
46 HD2 PHE 6 2HD PHE 6 -8.829 -2.492 4.136
47 HE1 PHE 6 1HE PHE 6 -4.849 -1.083 6.741
48 HE2 PHE 6 2HE PHE 6 -8.516 -3.300 6.458
49 HZ PHE 6 HZ PHE 6 -6.536 -2.592 7.763
50 H ARG 7 H ARG 7 -8.025 0.790 0.261
51 HA ARG 7 HA ARG 7 -5.675 0.915 -1.185
52 HB2 ARG 7 2HB ARG 7 -8.370 1.045 -1.789
53 HB3 ARG 7 1HB ARG 7 -7.796 2.635 -2.288
54 HG2 ARG 7 2HG ARG 7 -6.033 1.585 -3.647
55 HG3 ARG 7 1HG ARG 7 -6.575 -0.011 -3.128
56 HD2 ARG 7 2HD ARG 7 -8.334 1.980 -4.584
57 HD3 ARG 7 1HD ARG 7 -7.459 0.674 -5.380
58 HE ARG 7 HE ARG 7 -8.875 -0.606 -3.428
59 HH11 ARG 7 1HH2 ARG 7 -9.632 1.636 -5.953
60 HH12 ARG 7 2HH2 ARG 7 -11.234 1.027 -6.202
61 HH21 ARG 7 1HH1 ARG 7 -10.974 -1.410 -3.747
62 HH22 ARG 7 2HH1 ARG 7 -11.995 -0.699 -4.952
63 H LYS 8 H LYS 8 -7.334 3.423 0.586
64 HA LYS 8 HA LYS 8 -5.789 5.599 -0.490
65 HB2 LYS 8 2HB LYS 8 -8.105 5.741 0.602
66 HB3 LYS 8 1HB LYS 8 -7.264 5.586 2.144
67 HG2 LYS 8 2HG LYS 8 -5.930 7.574 1.660
68 HG3 LYS 8 1HG LYS 8 -6.662 7.704 0.060
69 HD2 LYS 8 2HD LYS 8 -8.891 7.978 1.132
70 HD3 LYS 8 1HD LYS 8 -8.110 7.940 2.713
71 HE2 LYS 8 2HE LYS 8 -8.545 10.265 1.858
72 HE3 LYS 8 1HE LYS 8 -6.847 9.943 2.207
73 HZ1 LYS 8 3HZ LYS 8 -6.347 9.725 -0.042
74 HZ2 LYS 8 1HZ LYS 8 -7.405 11.050 0.002
75 HZ3 LYS 8 2HZ LYS 8 -7.973 9.528 -0.494
76 H SER 9 H SER 9 -5.783 3.743 2.547
77 HA SER 9 HA SER 9 -3.480 5.048 3.619
78 HB2 SER 9 2HB SER 9 -4.484 2.295 4.349
79 HB3 SER 9 1HB SER 9 -3.571 3.415 5.356
80 HG SER 9 HG SER 9 -5.365 4.398 5.834
81 H LYS 10 H LYS 10 -3.967 1.830 2.125
82 HA LYS 10 HA LYS 10 -1.341 0.945 2.193
83 HB2 LYS 10 2HB LYS 10 -3.745 0.296 0.650
84 HB3 LYS 10 1HB LYS 10 -2.266 0.035 -0.268
85 HG2 LYS 10 2HG LYS 10 -2.771 -2.007 0.924
86 HG3 LYS 10 1HG LYS 10 -1.366 -1.270 1.690
87 HD2 LYS 10 2HD LYS 10 -3.152 -0.123 3.239
88 HD3 LYS 10 1HD LYS 10 -4.197 -1.431 2.685
89 HE2 LYS 10 2HE LYS 10 -2.491 -3.080 3.414
90 HE3 LYS 10 1HE LYS 10 -1.497 -1.756 4.023
91 HZ1 LYS 10 3HZ LYS 10 -4.076 -2.752 5.025
92 HZ2 LYS 10 1HZ LYS 10 -3.641 -1.136 5.298
93 HZ3 LYS 10 2HZ LYS 10 -2.657 -2.390 5.885
94 H GLU 11 H GLU 11 -2.936 3.111 -0.096
95 HA GLU 11 HA GLU 11 -0.903 3.344 -2.000
96 HB2 GLU 11 2HB GLU 11 -3.186 5.016 -1.106
97 HB3 GLU 11 1HB GLU 11 -1.898 5.877 -1.947
98 HG2 GLU 11 2HG GLU 11 -2.062 4.366 -3.847
99 HG3 GLU 11 1HG GLU 11 -3.248 3.376 -2.999
100 H LYS 12 H LYS 12 -1.480 5.306 0.930
101 HA LYS 12 HA LYS 12 0.785 6.931 0.773
102 HB2 LYS 12 2HB LYS 12 -0.963 7.336 2.419
103 HB3 LYS 12 1HB LYS 12 -0.594 5.813 3.227
104 HG2 LYS 12 2HG LYS 12 1.573 6.597 3.901
105 HG3 LYS 12 1HG LYS 12 1.443 8.023 2.870
106 HD2 LYS 12 2HD LYS 12 -0.322 8.940 4.235
107 HD3 LYS 12 1HD LYS 12 -0.441 7.449 5.170
108 HE2 LYS 12 2HE LYS 12 0.884 9.387 6.231
109 HE3 LYS 12 1HE LYS 12 1.658 7.803 6.215
110 HZ1 LYS 12 3HZ LYS 12 3.163 8.448 4.676
111 HZ2 LYS 12 1HZ LYS 12 2.863 9.975 5.347
112 HZ3 LYS 12 2HZ LYS 12 2.099 9.521 3.900
113 H ILE 13 H ILE 13 0.399 3.710 2.244
114 HA ILE 13 HA ILE 13 3.069 3.468 3.158
115 HB ILE 13 HB ILE 13 0.814 1.550 2.605
116 HG12 ILE 13 2HG1 ILE 13 1.261 1.158 5.140
117 HG13 ILE 13 1HG1 ILE 13 2.176 2.664 5.059
118 HG21 ILE 13 1HG2 ILE 13 3.652 0.930 3.384
119 HG22 ILE 13 2HG2 ILE 13 2.714 0.246 2.053
120 HG23 ILE 13 3HG2 ILE 13 2.316 -0.170 3.720
121 HD11 ILE 13 3HD1 ILE 13 0.186 3.827 4.192
122 HD12 ILE 13 1HD1 ILE 13 -0.169 3.057 5.738
123 HD13 ILE 13 2HD1 ILE 13 -0.721 2.315 4.237
124 H GLY 14 H GLY 14 1.351 2.646 0.194
125 HA2 GLY 14 2HA GLY 14 3.160 1.012 -1.096
126 HA3 GLY 14 1HA GLY 14 2.126 2.174 -1.923
127 H LYS 15 H LYS 15 3.093 4.569 -1.041
128 HA LYS 15 HA LYS 15 5.400 4.918 -2.649
129 HB2 LYS 15 2HB LYS 15 3.881 6.655 -0.720
130 HB3 LYS 15 1HB LYS 15 5.418 7.210 -1.379
131 HG2 LYS 15 2HG LYS 15 3.747 8.053 -2.858
132 HG3 LYS 15 1HG LYS 15 4.457 6.672 -3.694
133 HD2 LYS 15 2HD LYS 15 2.610 5.245 -3.011
134 HD3 LYS 15 1HD LYS 15 1.934 6.537 -2.018
135 HE2 LYS 15 2HE LYS 15 1.811 7.925 -4.164
136 HE3 LYS 15 1HE LYS 15 2.141 6.426 -5.032
137 HZ1 LYS 15 3HZ LYS 15 -0.294 7.328 -3.943
138 HZ2 LYS 15 1HZ LYS 15 0.147 5.883 -3.170
139 HZ3 LYS 15 2HZ LYS 15 0.005 5.931 -4.863
140 H GLU 16 H GLU 16 4.996 5.229 0.896
141 HA GLU 16 HA GLU 16 7.743 5.475 1.472
142 HB2 GLU 16 2HB GLU 16 5.394 4.489 3.093
143 HB3 GLU 16 1HB GLU 16 7.025 4.555 3.760
144 HG2 GLU 16 2HG GLU 16 5.673 6.612 4.241
145 HG3 GLU 16 1HG GLU 16 7.158 6.942 3.351
146 H PHE 17 H PHE 17 5.605 2.666 1.308
147 HA PHE 17 HA PHE 17 7.374 0.658 2.092
148 HB2 PHE 17 2HB PHE 17 5.000 0.276 1.796
149 HB3 PHE 17 1HB PHE 17 5.130 0.588 0.073
150 HD1 PHE 17 1HD PHE 17 6.816 -1.514 2.666
151 HD2 PHE 17 2HD PHE 17 5.188 -1.278 -1.299
152 HE1 PHE 17 1HE PHE 17 7.324 -3.913 2.321
153 HE2 PHE 17 2HE PHE 17 5.697 -3.677 -1.651
154 HZ PHE 17 HZ PHE 17 6.770 -4.999 0.156
155 H LYS 18 H LYS 18 6.734 1.935 -1.181
156 HA LYS 18 HA LYS 18 8.344 0.221 -2.636
157 HB2 LYS 18 2HB LYS 18 7.009 2.682 -3.062
158 HB3 LYS 18 1HB LYS 18 8.656 2.899 -3.653
159 HG2 LYS 18 2HG LYS 18 7.464 2.026 -5.511
160 HG3 LYS 18 1HG LYS 18 8.327 0.636 -4.855
161 HD2 LYS 18 2HD LYS 18 6.171 0.242 -3.449
162 HD3 LYS 18 1HD LYS 18 5.401 1.324 -4.608
163 HE2 LYS 18 2HE LYS 18 6.060 -0.128 -6.459
164 HE3 LYS 18 1HE LYS 18 6.941 -1.181 -5.352
165 HZ1 LYS 18 3HZ LYS 18 4.966 -2.275 -5.448
166 HZ2 LYS 18 1HZ LYS 18 4.057 -0.871 -5.730
167 HZ3 LYS 18 2HZ LYS 18 4.614 -1.221 -4.164
168 H ARG 19 H ARG 19 9.298 3.381 -1.290
169 HA ARG 19 HA ARG 19 12.048 3.129 -1.885
170 HB2 ARG 19 2HB ARG 19 10.883 4.688 0.427
171 HB3 ARG 19 1HB ARG 19 12.371 5.021 -0.460
172 HG2 ARG 19 2HG ARG 19 10.888 5.252 -2.543
173 HG3 ARG 19 1HG ARG 19 9.523 5.304 -1.426
174 HD2 ARG 19 2HD ARG 19 11.252 7.105 -0.277
175 HD3 ARG 19 1HD ARG 19 11.573 7.355 -1.988
176 HE ARG 19 HE ARG 19 9.428 8.444 -0.678
177 HH11 ARG 19 1HH2 ARG 19 9.812 6.188 -3.285
178 HH12 ARG 19 2HH2 ARG 19 8.278 6.552 -3.998
179 HH21 ARG 19 1HH1 ARG 19 7.429 8.918 -1.617
180 HH22 ARG 19 2HH1 ARG 19 6.933 8.096 -3.058
181 H ILE 20 H ILE 20 10.094 1.628 0.485
182 HA ILE 20 HA ILE 20 12.335 1.050 2.269
183 HB ILE 20 HB ILE 20 9.550 1.335 2.612
184 HG12 ILE 20 2HG1 ILE 20 11.630 0.262 4.528
185 HG13 ILE 20 1HG1 ILE 20 11.375 1.965 4.156
186 HG21 ILE 20 1HG2 ILE 20 10.419 -1.481 3.327
187 HG22 ILE 20 2HG2 ILE 20 9.330 -1.081 1.999
188 HG23 ILE 20 3HG2 ILE 20 8.854 -0.746 3.661
189 HD11 ILE 20 3HD1 ILE 20 10.173 1.477 6.197
190 HD12 ILE 20 1HD1 ILE 20 9.403 0.072 5.460
191 HD13 ILE 20 2HD1 ILE 20 8.985 1.695 4.912
192 H VAL 21 H VAL 21 10.611 -0.354 -0.341
193 HA VAL 21 HA VAL 21 12.152 -2.851 0.001
194 HB VAL 21 HB VAL 21 9.852 -3.284 0.696
195 HG11 VAL 21 1HG1 VAL 21 9.263 -1.609 -1.624
196 HG12 VAL 21 2HG1 VAL 21 8.229 -2.044 -0.268
197 HG13 VAL 21 3HG1 VAL 21 8.346 -3.114 -1.660
198 HG21 VAL 21 3HG2 VAL 21 9.723 -5.285 -0.416
199 HG22 VAL 21 1HG2 VAL 21 11.302 -4.795 -1.027
200 HG23 VAL 21 2HG2 VAL 21 9.858 -4.537 -2.005
201 H GLN 22 H GLN 22 12.602 -0.441 -1.654
202 HA GLN 22 HA GLN 22 13.139 -1.830 -4.118
203 HB2 GLN 22 2HB GLN 22 11.715 -0.747 -5.558
204 HB3 GLN 22 1HB GLN 22 10.707 -0.754 -4.116
205 HG2 GLN 22 2HG GLN 22 10.542 1.486 -4.546
206 HG3 GLN 22 1HG GLN 22 12.087 1.560 -3.708
207 HE21 GLN 22 1HE2 GLN 22 13.182 3.167 -4.902
208 HE22 GLN 22 2HE2 GLN 22 13.445 3.085 -6.577
209 H ARG 23 H ARG 23 14.280 -0.182 -1.824
210 HA ARG 23 HA ARG 23 15.693 1.698 -1.546
211 HB2 ARG 23 2HB ARG 23 17.867 1.034 -2.832
212 HB3 ARG 23 1HB ARG 23 17.248 -0.036 -1.573
213 HG2 ARG 23 2HG ARG 23 16.230 -1.490 -3.192
214 HG3 ARG 23 1HG ARG 23 16.538 -0.347 -4.499
215 HD2 ARG 23 2HD ARG 23 18.863 -0.755 -4.469
216 HD3 ARG 23 1HD ARG 23 18.804 -1.480 -2.864
217 HE ARG 23 HE ARG 23 17.257 -3.144 -4.386
218 HH11 ARG 23 1HH2 ARG 23 20.450 -1.833 -4.617
219 HH12 ARG 23 2HH2 ARG 23 21.101 -3.201 -5.456
220 HH21 ARG 23 1HH1 ARG 23 18.100 -4.942 -5.488
221 HH22 ARG 23 2HH1 ARG 23 19.769 -4.962 -5.952
Start of MODEL 13
1 H1 LEU 1 1HT LEU 1 -16.415 1.566 3.483
2 H2 LEU 1 2HT LEU 1 -17.914 0.788 3.670
3 H3 LEU 1 3HT LEU 1 -17.304 1.102 2.116
4 HA LEU 1 HA LEU 1 -16.756 -1.083 3.897
5 HB2 LEU 1 2HB LEU 1 -16.507 -0.463 0.953
6 HB3 LEU 1 1HB LEU 1 -15.878 -1.967 1.623
7 HG LEU 1 HG LEU 1 -18.220 -2.162 0.734
8 HD11 LEU 1 2HD1 LEU 1 -17.150 -3.387 2.878
9 HD12 LEU 1 3HD1 LEU 1 -18.808 -3.680 2.359
10 HD13 LEU 1 1HD1 LEU 1 -18.484 -2.561 3.681
11 HD21 LEU 1 1HD2 LEU 1 -19.033 -0.526 3.141
12 HD22 LEU 1 2HD2 LEU 1 -20.026 -1.025 1.772
13 HD23 LEU 1 3HD2 LEU 1 -18.791 0.214 1.558
14 H LEU 2 H LEU 2 -14.706 -2.059 4.185
15 HA LEU 2 HA LEU 2 -12.591 -0.339 4.820
16 HB2 LEU 2 2HB LEU 2 -12.896 -2.661 5.683
17 HB3 LEU 2 1HB LEU 2 -12.321 -3.250 4.126
18 HG LEU 2 HG LEU 2 -10.346 -1.602 4.496
19 HD11 LEU 2 1HD1 LEU 2 -11.449 -1.937 7.299
20 HD12 LEU 2 2HD1 LEU 2 -11.105 -0.428 6.457
21 HD13 LEU 2 3HD1 LEU 2 -9.781 -1.466 6.979
22 HD21 LEU 2 3HD2 LEU 2 -10.577 -4.091 6.181
23 HD22 LEU 2 1HD2 LEU 2 -9.080 -3.327 5.648
24 HD23 LEU 2 2HD2 LEU 2 -10.169 -4.052 4.465
25 H GLY 3 H GLY 3 -13.036 -2.434 2.038
26 HA2 GLY 3 2HA GLY 3 -10.772 -2.327 0.634
27 HA3 GLY 3 1HA GLY 3 -12.316 -2.071 -0.176
28 H ASP 4 H ASP 4 -12.902 0.450 1.143
29 HA ASP 4 HA ASP 4 -11.502 2.224 -0.612
30 HB2 ASP 4 2HB ASP 4 -13.850 2.572 0.249
31 HB3 ASP 4 1HB ASP 4 -13.147 2.964 1.818
32 H PHE 5 H PHE 5 -11.308 1.421 2.816
33 HA PHE 5 HA PHE 5 -9.486 3.366 3.674
34 HB2 PHE 5 2HB PHE 5 -10.248 2.186 5.480
35 HB3 PHE 5 1HB PHE 5 -10.343 0.678 4.596
36 HD1 PHE 5 1HD PHE 5 -8.286 -0.701 4.226
37 HD2 PHE 5 2HD PHE 5 -8.276 2.816 6.691
38 HE1 PHE 5 1HE PHE 5 -6.131 -1.407 5.227
39 HE2 PHE 5 2HE PHE 5 -6.119 2.111 7.690
40 HZ PHE 5 HZ PHE 5 -5.047 -0.001 6.958
41 H PHE 6 H PHE 6 -8.935 0.142 2.311
42 HA PHE 6 HA PHE 6 -6.133 0.172 2.486
43 HB2 PHE 6 2HB PHE 6 -8.155 -1.373 0.953
44 HB3 PHE 6 1HB PHE 6 -6.512 -1.389 0.313
45 HD1 PHE 6 1HD PHE 6 -4.657 -1.565 2.324
46 HD2 PHE 6 2HD PHE 6 -8.662 -3.111 2.412
47 HE1 PHE 6 1HE PHE 6 -3.982 -3.206 4.054
48 HE2 PHE 6 2HE PHE 6 -7.987 -4.754 4.144
49 HZ PHE 6 HZ PHE 6 -5.650 -4.800 4.967
50 H ARG 7 H ARG 7 -8.301 1.278 -0.108
51 HA ARG 7 HA ARG 7 -6.420 1.835 -2.062
52 HB2 ARG 7 2HB ARG 7 -8.978 3.267 -1.336
53 HB3 ARG 7 1HB ARG 7 -8.010 3.711 -2.740
54 HG2 ARG 7 2HG ARG 7 -8.134 1.228 -3.405
55 HG3 ARG 7 1HG ARG 7 -9.412 1.092 -2.197
56 HD2 ARG 7 2HD ARG 7 -9.398 2.618 -4.777
57 HD3 ARG 7 1HD ARG 7 -10.656 1.589 -4.097
58 HE ARG 7 HE ARG 7 -10.517 3.681 -2.345
59 HH11 ARG 7 1HH2 ARG 7 -10.869 3.348 -5.770
60 HH12 ARG 7 2HH2 ARG 7 -11.824 4.782 -5.952
61 HH21 ARG 7 1HH1 ARG 7 -11.766 5.565 -2.574
62 HH22 ARG 7 2HH1 ARG 7 -12.331 6.038 -4.141
63 H LYS 8 H LYS 8 -7.498 3.995 0.578
64 HA LYS 8 HA LYS 8 -5.661 6.061 -0.146
65 HB2 LYS 8 2HB LYS 8 -6.427 7.232 1.730
66 HB3 LYS 8 1HB LYS 8 -7.816 6.255 1.270
67 HG2 LYS 8 2HG LYS 8 -7.814 5.661 3.474
68 HG3 LYS 8 1HG LYS 8 -6.556 4.543 2.976
69 HD2 LYS 8 2HD LYS 8 -4.939 6.558 3.410
70 HD3 LYS 8 1HD LYS 8 -6.281 7.191 4.364
71 HE2 LYS 8 2HE LYS 8 -4.635 4.724 4.825
72 HE3 LYS 8 1HE LYS 8 -5.118 5.972 5.974
73 HZ1 LYS 8 3HZ LYS 8 -7.019 4.094 4.689
74 HZ2 LYS 8 1HZ LYS 8 -7.339 5.167 5.962
75 HZ3 LYS 8 2HZ LYS 8 -6.321 3.830 6.215
76 H SER 9 H SER 9 -5.531 3.325 2.074
77 HA SER 9 HA SER 9 -3.029 4.093 3.260
78 HB2 SER 9 2HB SER 9 -3.981 1.255 3.237
79 HB3 SER 9 1HB SER 9 -3.220 2.169 4.534
80 HG SER 9 HG SER 9 -5.559 3.288 3.753
81 H LYS 10 H LYS 10 -3.977 1.605 0.886
82 HA LYS 10 HA LYS 10 -1.480 0.534 0.346
83 HB2 LYS 10 2HB LYS 10 -3.966 0.883 -1.303
84 HB3 LYS 10 1HB LYS 10 -2.511 0.221 -2.047
85 HG2 LYS 10 2HG LYS 10 -3.339 -0.910 0.591
86 HG3 LYS 10 1HG LYS 10 -4.320 -1.337 -0.809
87 HD2 LYS 10 2HD LYS 10 -1.357 -1.532 -1.140
88 HD3 LYS 10 1HD LYS 10 -2.121 -2.735 -0.103
89 HE2 LYS 10 2HE LYS 10 -3.436 -3.595 -1.839
90 HE3 LYS 10 1HE LYS 10 -3.302 -2.122 -2.802
91 HZ1 LYS 10 3HZ LYS 10 -0.760 -3.319 -2.262
92 HZ2 LYS 10 1HZ LYS 10 -1.437 -2.842 -3.742
93 HZ3 LYS 10 2HZ LYS 10 -1.798 -4.372 -3.098
94 H GLU 11 H GLU 11 -2.926 3.522 -0.850
95 HA GLU 11 HA GLU 11 -0.899 4.064 -2.785
96 HB2 GLU 11 2HB GLU 11 -3.176 5.528 -1.577
97 HB3 GLU 11 1HB GLU 11 -1.867 6.524 -2.216
98 HG2 GLU 11 2HG GLU 11 -3.334 6.194 -4.045
99 HG3 GLU 11 1HG GLU 11 -2.013 5.078 -4.334
100 H LYS 12 H LYS 12 -1.524 5.344 0.485
101 HA LYS 12 HA LYS 12 0.805 6.906 0.698
102 HB2 LYS 12 2HB LYS 12 -0.913 5.551 2.784
103 HB3 LYS 12 1HB LYS 12 0.441 6.604 3.196
104 HG2 LYS 12 2HG LYS 12 -0.622 8.395 1.773
105 HG3 LYS 12 1HG LYS 12 -2.030 7.347 1.607
106 HD2 LYS 12 2HD LYS 12 -2.262 7.297 4.078
107 HD3 LYS 12 1HD LYS 12 -0.893 8.401 4.213
108 HE2 LYS 12 2HE LYS 12 -3.597 8.939 2.972
109 HE3 LYS 12 1HE LYS 12 -2.835 9.781 4.322
110 HZ1 LYS 12 3HZ LYS 12 -2.283 11.219 2.695
111 HZ2 LYS 12 1HZ LYS 12 -2.379 10.057 1.463
112 HZ3 LYS 12 2HZ LYS 12 -0.998 10.135 2.448
113 H ILE 13 H ILE 13 0.162 3.548 1.721
114 HA ILE 13 HA ILE 13 2.747 3.043 2.727
115 HB ILE 13 HB ILE 13 0.393 1.390 1.860
116 HG12 ILE 13 2HG1 ILE 13 0.875 0.542 4.297
117 HG13 ILE 13 1HG1 ILE 13 1.859 1.999 4.421
118 HG21 ILE 13 1HG2 ILE 13 2.277 0.096 1.051
119 HG22 ILE 13 2HG2 ILE 13 1.673 -0.645 2.531
120 HG23 ILE 13 3HG2 ILE 13 3.135 0.338 2.574
121 HD11 ILE 13 3HD1 ILE 13 -0.118 3.343 3.697
122 HD12 ILE 13 1HD1 ILE 13 -0.393 2.484 5.213
123 HD13 ILE 13 2HD1 ILE 13 -1.083 1.866 3.713
124 H GLY 14 H GLY 14 1.245 2.707 -0.452
125 HA2 GLY 14 2HA GLY 14 3.077 1.149 -1.779
126 HA3 GLY 14 1HA GLY 14 2.204 2.478 -2.537
127 H LYS 15 H LYS 15 3.226 4.692 -1.345
128 HA LYS 15 HA LYS 15 5.820 4.851 -2.577
129 HB2 LYS 15 2HB LYS 15 5.077 6.962 -2.800
130 HB3 LYS 15 1HB LYS 15 3.788 6.684 -1.641
131 HG2 LYS 15 2HG LYS 15 6.580 7.137 -0.607
132 HG3 LYS 15 1HG LYS 15 5.653 8.513 -1.186
133 HD2 LYS 15 2HD LYS 15 3.759 7.739 0.331
134 HD3 LYS 15 1HD LYS 15 4.908 6.618 1.051
135 HE2 LYS 15 2HE LYS 15 5.366 8.356 2.454
136 HE3 LYS 15 1HE LYS 15 6.351 8.941 1.114
137 HZ1 LYS 15 3HZ LYS 15 4.883 10.547 0.620
138 HZ2 LYS 15 1HZ LYS 15 4.384 10.344 2.228
139 HZ3 LYS 15 2HZ LYS 15 3.527 9.586 0.973
140 H GLU 16 H GLU 16 4.621 4.542 0.704
141 HA GLU 16 HA GLU 16 7.162 5.083 1.937
142 HB2 GLU 16 2HB GLU 16 4.533 4.915 2.820
143 HB3 GLU 16 1HB GLU 16 5.288 3.488 3.527
144 HG2 GLU 16 2HG GLU 16 7.102 4.909 4.434
145 HG3 GLU 16 1HG GLU 16 6.317 6.331 3.748
146 H PHE 17 H PHE 17 5.311 2.153 1.163
147 HA PHE 17 HA PHE 17 7.242 0.377 2.289
148 HB2 PHE 17 2HB PHE 17 5.427 -0.932 2.146
149 HB3 PHE 17 1HB PHE 17 4.643 0.199 1.060
150 HD1 PHE 17 2HD PHE 17 5.086 0.079 -1.408
151 HD2 PHE 17 1HD PHE 17 6.408 -2.942 1.338
152 HE1 PHE 17 2HE PHE 17 5.358 -1.508 -3.287
153 HE2 PHE 17 1HE PHE 17 6.679 -4.532 -0.535
154 HZ PHE 17 HZ PHE 17 6.159 -3.818 -2.857
155 H LYS 18 H LYS 18 6.967 1.976 -0.789
156 HA LYS 18 HA LYS 18 8.614 0.124 -2.245
157 HB2 LYS 18 2HB LYS 18 7.408 2.788 -2.734
158 HB3 LYS 18 1HB LYS 18 8.886 2.446 -3.631
159 HG2 LYS 18 2HG LYS 18 7.947 0.631 -4.762
160 HG3 LYS 18 1HG LYS 18 6.714 0.369 -3.530
161 HD2 LYS 18 2HD LYS 18 5.301 1.951 -4.405
162 HD3 LYS 18 1HD LYS 18 6.623 2.995 -4.933
163 HE2 LYS 18 2HE LYS 18 6.089 0.343 -6.274
164 HE3 LYS 18 1HE LYS 18 5.239 1.808 -6.766
165 HZ1 LYS 18 3HZ LYS 18 7.301 1.359 -8.037
166 HZ2 LYS 18 1HZ LYS 18 8.193 1.577 -6.612
167 HZ3 LYS 18 2HZ LYS 18 7.298 2.869 -7.258
168 H ARG 19 H ARG 19 9.215 3.222 -0.601
169 HA ARG 19 HA ARG 19 12.010 3.250 -1.230
170 HB2 ARG 19 2HB ARG 19 10.455 4.748 0.895
171 HB3 ARG 19 1HB ARG 19 12.118 5.088 0.416
172 HG2 ARG 19 2HG ARG 19 11.424 5.649 -1.835
173 HG3 ARG 19 1HG ARG 19 9.772 5.129 -1.501
174 HD2 ARG 19 2HD ARG 19 10.368 7.683 -1.382
175 HD3 ARG 19 1HD ARG 19 9.319 6.980 -0.153
176 HE ARG 19 HE ARG 19 11.801 6.705 0.926
177 HH11 ARG 19 1HH2 ARG 19 10.013 9.317 -0.471
178 HH12 ARG 19 2HH2 ARG 19 10.762 10.535 0.507
179 HH21 ARG 19 1HH1 ARG 19 12.792 8.299 2.209
180 HH22 ARG 19 2HH1 ARG 19 12.334 9.958 2.022
181 H ILE 20 H ILE 20 10.174 2.509 1.743
182 HA ILE 20 HA ILE 20 12.320 1.902 3.392
183 HB ILE 20 HB ILE 20 9.672 1.984 3.756
184 HG12 ILE 20 2HG1 ILE 20 11.524 0.257 5.418
185 HG13 ILE 20 1HG1 ILE 20 11.446 2.018 5.487
186 HG21 ILE 20 1HG2 ILE 20 9.427 -0.203 2.489
187 HG22 ILE 20 2HG2 ILE 20 8.692 -0.170 4.089
188 HG23 ILE 20 3HG2 ILE 20 10.235 -0.986 3.846
189 HD11 ILE 20 3HD1 ILE 20 10.050 1.245 7.264
190 HD12 ILE 20 1HD1 ILE 20 9.282 0.042 6.228
191 HD13 ILE 20 2HD1 ILE 20 8.955 1.757 5.980
192 H VAL 21 H VAL 21 10.642 -0.142 1.035
193 HA VAL 21 HA VAL 21 12.414 -2.396 1.642
194 HB VAL 21 HB VAL 21 10.121 -2.131 -0.322
195 HG11 VAL 21 1HG1 VAL 21 11.983 -4.406 0.376
196 HG12 VAL 21 2HG1 VAL 21 11.569 -3.781 -1.220
197 HG13 VAL 21 3HG1 VAL 21 10.379 -4.697 -0.298
198 HG21 VAL 21 3HG2 VAL 21 9.324 -3.994 1.455
199 HG22 VAL 21 1HG2 VAL 21 9.020 -2.277 1.707
200 HG23 VAL 21 2HG2 VAL 21 10.380 -3.059 2.512
201 H GLN 22 H GLN 22 14.376 -1.403 0.941
202 HA GLN 22 HA GLN 22 14.651 -0.584 -1.826
203 HB2 GLN 22 2HB GLN 22 17.177 -0.622 -1.034
204 HB3 GLN 22 1HB GLN 22 16.086 0.656 -0.497
205 HG2 GLN 22 2HG GLN 22 15.769 -0.343 1.623
206 HG3 GLN 22 1HG GLN 22 16.409 -1.894 1.083
207 HE21 GLN 22 1HE2 GLN 22 18.272 0.683 -0.160
208 HE22 GLN 22 2HE2 GLN 22 19.522 0.640 0.988
209 H ARG 23 H ARG 23 13.986 -2.566 -2.846
210 HA ARG 23 HA ARG 23 14.834 -5.112 -2.564
211 HB2 ARG 23 2HB ARG 23 14.911 -5.202 -5.140
212 HB3 ARG 23 1HB ARG 23 13.402 -4.693 -4.385
213 HG2 ARG 23 2HG ARG 23 13.633 -2.500 -5.066
214 HG3 ARG 23 1HG ARG 23 15.394 -2.554 -5.007
215 HD2 ARG 23 2HD ARG 23 14.305 -2.438 -7.337
216 HD3 ARG 23 1HD ARG 23 15.544 -3.666 -7.090
217 HE ARG 23 HE ARG 23 13.213 -4.959 -6.478
218 HH11 ARG 23 1HH2 ARG 23 14.390 -3.103 -9.149
219 HH12 ARG 23 2HH2 ARG 23 13.455 -3.954 -10.332
220 HH21 ARG 23 1HH1 ARG 23 11.981 -6.081 -8.024
221 HH22 ARG 23 2HH1 ARG 23 12.091 -5.640 -9.695
Start of MODEL 14
1 H1 LEU 1 1HT LEU 1 -18.008 1.262 4.056
2 H2 LEU 1 2HT LEU 1 -16.815 2.031 3.123
3 H3 LEU 1 3HT LEU 1 -16.555 1.754 4.779
4 HA LEU 1 HA LEU 1 -16.757 -0.690 4.283
5 HB2 LEU 1 2HB LEU 1 -16.162 0.240 1.468
6 HB3 LEU 1 1HB LEU 1 -16.526 -1.396 2.017
7 HG LEU 1 HG LEU 1 -18.448 0.950 2.058
8 HD11 LEU 1 2HD1 LEU 1 -18.055 0.103 -0.206
9 HD12 LEU 1 3HD1 LEU 1 -19.657 -0.389 0.344
10 HD13 LEU 1 1HD1 LEU 1 -18.330 -1.550 0.344
11 HD21 LEU 1 1HD2 LEU 1 -18.629 -1.913 3.009
12 HD22 LEU 1 2HD2 LEU 1 -20.073 -1.001 2.568
13 HD23 LEU 1 3HD2 LEU 1 -19.044 -0.438 3.885
14 H LEU 2 H LEU 2 -14.766 -1.777 4.290
15 HA LEU 2 HA LEU 2 -12.496 -0.231 4.973
16 HB2 LEU 2 2HB LEU 2 -12.929 -2.565 5.730
17 HB3 LEU 2 1HB LEU 2 -12.515 -3.111 4.107
18 HG LEU 2 HG LEU 2 -10.381 -1.676 4.408
19 HD11 LEU 2 1HD1 LEU 2 -10.941 -0.529 6.471
20 HD12 LEU 2 2HD1 LEU 2 -9.628 -1.648 6.821
21 HD13 LEU 2 3HD1 LEU 2 -11.279 -2.059 7.279
22 HD21 LEU 2 3HD2 LEU 2 -10.327 -4.083 4.251
23 HD22 LEU 2 1HD2 LEU 2 -10.819 -4.234 5.939
24 HD23 LEU 2 2HD2 LEU 2 -9.239 -3.560 5.539
25 H GLY 3 H GLY 3 -13.284 -2.108 2.112
26 HA2 GLY 3 2HA GLY 3 -11.105 -2.078 0.567
27 HA3 GLY 3 1HA GLY 3 -12.675 -1.671 -0.120
28 H ASP 4 H ASP 4 -12.991 0.806 1.366
29 HA ASP 4 HA ASP 4 -11.581 2.575 -0.388
30 HB2 ASP 4 2HB ASP 4 -13.253 3.061 2.086
31 HB3 ASP 4 1HB ASP 4 -12.563 4.357 1.111
32 H PHE 5 H PHE 5 -11.185 1.492 2.929
33 HA PHE 5 HA PHE 5 -9.218 3.305 3.799
34 HB2 PHE 5 2HB PHE 5 -9.922 2.081 5.594
35 HB3 PHE 5 1HB PHE 5 -10.235 0.653 4.631
36 HD1 PHE 5 2HD PHE 5 -8.356 -0.905 4.032
37 HD2 PHE 5 1HD PHE 5 -7.826 2.424 6.694
38 HE1 PHE 5 2HE PHE 5 -6.229 -1.884 4.839
39 HE2 PHE 5 1HE PHE 5 -5.698 1.441 7.501
40 HZ PHE 5 HZ PHE 5 -4.900 -0.714 6.573
41 H PHE 6 H PHE 6 -8.897 0.072 2.367
42 HA PHE 6 HA PHE 6 -6.117 -0.075 2.321
43 HB2 PHE 6 2HB PHE 6 -8.344 -1.396 0.881
44 HB3 PHE 6 1HB PHE 6 -6.768 -1.488 0.100
45 HD1 PHE 6 1HD PHE 6 -4.757 -1.945 1.855
46 HD2 PHE 6 2HD PHE 6 -8.860 -3.097 2.387
47 HE1 PHE 6 1HE PHE 6 -4.055 -3.695 3.468
48 HE2 PHE 6 2HE PHE 6 -8.158 -4.849 3.996
49 HZ PHE 6 HZ PHE 6 -5.762 -5.143 4.541
50 H ARG 7 H ARG 7 -8.308 1.141 -0.231
51 HA ARG 7 HA ARG 7 -6.416 1.743 -2.160
52 HB2 ARG 7 2HB ARG 7 -8.957 3.195 -1.400
53 HB3 ARG 7 1HB ARG 7 -7.996 3.622 -2.815
54 HG2 ARG 7 2HG ARG 7 -8.190 1.228 -3.577
55 HG3 ARG 7 1HG ARG 7 -9.320 0.956 -2.250
56 HD2 ARG 7 2HD ARG 7 -9.662 2.641 -4.711
57 HD3 ARG 7 1HD ARG 7 -10.773 1.472 -4.002
58 HE ARG 7 HE ARG 7 -10.594 3.442 -2.109
59 HH11 ARG 7 1HH2 ARG 7 -11.307 3.306 -5.491
60 HH12 ARG 7 2HH2 ARG 7 -12.368 4.676 -5.464
61 HH21 ARG 7 1HH1 ARG 7 -11.984 5.239 -2.065
62 HH22 ARG 7 2HH1 ARG 7 -12.750 5.769 -3.525
63 H LYS 8 H LYS 8 -7.456 3.718 0.600
64 HA LYS 8 HA LYS 8 -5.694 5.894 0.014
65 HB2 LYS 8 2HB LYS 8 -7.670 6.290 1.356
66 HB3 LYS 8 1HB LYS 8 -7.151 5.096 2.545
67 HG2 LYS 8 2HG LYS 8 -5.269 6.452 3.198
68 HG3 LYS 8 1HG LYS 8 -5.541 7.569 1.860
69 HD2 LYS 8 2HD LYS 8 -7.523 8.430 2.832
70 HD3 LYS 8 1HD LYS 8 -7.658 7.079 3.958
71 HE2 LYS 8 2HE LYS 8 -6.713 9.402 4.790
72 HE3 LYS 8 1HE LYS 8 -5.985 7.899 5.356
73 HZ1 LYS 8 3HZ LYS 8 -4.472 9.739 4.434
74 HZ2 LYS 8 1HZ LYS 8 -4.996 9.210 2.910
75 HZ3 LYS 8 2HZ LYS 8 -4.189 8.135 3.949
76 H SER 9 H SER 9 -5.518 3.010 2.044
77 HA SER 9 HA SER 9 -3.033 3.722 3.282
78 HB2 SER 9 2HB SER 9 -4.006 0.893 3.019
79 HB3 SER 9 1HB SER 9 -3.155 1.656 4.359
80 HG SER 9 HG SER 9 -5.850 1.690 3.676
81 H LYS 10 H LYS 10 -3.907 1.399 0.709
82 HA LYS 10 HA LYS 10 -1.375 0.441 0.120
83 HB2 LYS 10 2HB LYS 10 -3.933 0.684 -1.345
84 HB3 LYS 10 1HB LYS 10 -2.506 0.544 -2.369
85 HG2 LYS 10 2HG LYS 10 -1.924 -1.556 -1.496
86 HG3 LYS 10 1HG LYS 10 -2.878 -1.321 -0.032
87 HD2 LYS 10 2HD LYS 10 -4.879 -1.847 -1.081
88 HD3 LYS 10 1HD LYS 10 -4.306 -1.344 -2.667
89 HE2 LYS 10 2HE LYS 10 -3.018 -3.326 -2.946
90 HE3 LYS 10 1HE LYS 10 -3.162 -3.749 -1.239
91 HZ1 LYS 10 3HZ LYS 10 -5.300 -3.772 -3.293
92 HZ2 LYS 10 1HZ LYS 10 -5.609 -3.914 -1.631
93 HZ3 LYS 10 2HZ LYS 10 -4.680 -5.095 -2.426
94 H GLU 11 H GLU 11 -2.930 3.443 -0.939
95 HA GLU 11 HA GLU 11 -0.913 4.236 -2.768
96 HB2 GLU 11 2HB GLU 11 -3.040 5.703 -1.223
97 HB3 GLU 11 1HB GLU 11 -1.857 6.590 -2.184
98 HG2 GLU 11 2HG GLU 11 -2.497 5.346 -4.186
99 HG3 GLU 11 1HG GLU 11 -3.619 4.363 -3.247
100 H LYS 12 H LYS 12 -1.482 5.094 0.645
101 HA LYS 12 HA LYS 12 0.836 6.680 0.961
102 HB2 LYS 12 2HB LYS 12 -0.965 5.206 2.873
103 HB3 LYS 12 1HB LYS 12 0.491 6.018 3.452
104 HG2 LYS 12 2HG LYS 12 -0.288 8.130 2.415
105 HG3 LYS 12 1HG LYS 12 -1.762 7.315 1.888
106 HD2 LYS 12 2HD LYS 12 -2.554 7.051 4.088
107 HD3 LYS 12 1HD LYS 12 -0.955 7.294 4.792
108 HE2 LYS 12 2HE LYS 12 -2.685 9.247 4.909
109 HE3 LYS 12 1HE LYS 12 -1.020 9.616 4.461
110 HZ1 LYS 12 3HZ LYS 12 -1.806 9.269 2.088
111 HZ2 LYS 12 1HZ LYS 12 -2.315 10.687 2.868
112 HZ3 LYS 12 2HZ LYS 12 -3.385 9.377 2.706
113 H ILE 13 H ILE 13 0.220 3.237 1.690
114 HA ILE 13 HA ILE 13 2.843 2.687 2.603
115 HB ILE 13 HB ILE 13 0.499 1.046 1.673
116 HG12 ILE 13 2HG1 ILE 13 0.955 0.118 4.077
117 HG13 ILE 13 1HG1 ILE 13 1.924 1.576 4.279
118 HG21 ILE 13 1HG2 ILE 13 3.278 0.076 2.329
119 HG22 ILE 13 2HG2 ILE 13 2.363 -0.208 0.846
120 HG23 ILE 13 3HG2 ILE 13 1.858 -0.966 2.354
121 HD11 ILE 13 3HD1 ILE 13 -0.355 1.973 5.067
122 HD12 ILE 13 1HD1 ILE 13 -1.004 1.458 3.512
123 HD13 ILE 13 2HD1 ILE 13 -0.053 2.938 3.624
124 H GLY 14 H GLY 14 1.230 2.527 -0.540
125 HA2 GLY 14 2HA GLY 14 3.047 1.079 -2.022
126 HA3 GLY 14 1HA GLY 14 2.114 2.427 -2.671
127 H LYS 15 H LYS 15 3.141 4.577 -1.327
128 HA LYS 15 HA LYS 15 5.617 4.989 -2.692
129 HB2 LYS 15 2HB LYS 15 3.833 6.572 -0.916
130 HB3 LYS 15 1HB LYS 15 5.525 7.067 -0.955
131 HG2 LYS 15 2HG LYS 15 4.270 8.277 -2.672
132 HG3 LYS 15 1HG LYS 15 5.411 7.174 -3.438
133 HD2 LYS 15 2HD LYS 15 3.623 5.526 -3.780
134 HD3 LYS 15 1HD LYS 15 2.473 6.588 -2.966
135 HE2 LYS 15 2HE LYS 15 2.685 8.260 -4.693
136 HE3 LYS 15 1HE LYS 15 4.026 7.391 -5.440
137 HZ1 LYS 15 3HZ LYS 15 2.072 5.527 -5.342
138 HZ2 LYS 15 1HZ LYS 15 2.457 6.466 -6.701
139 HZ3 LYS 15 2HZ LYS 15 1.195 6.945 -5.669
140 H GLU 16 H GLU 16 4.826 4.911 0.790
141 HA GLU 16 HA GLU 16 7.458 4.948 1.741
142 HB2 GLU 16 2HB GLU 16 4.931 3.748 2.889
143 HB3 GLU 16 1HB GLU 16 6.460 3.785 3.767
144 HG2 GLU 16 2HG GLU 16 6.538 6.239 3.543
145 HG3 GLU 16 1HG GLU 16 5.013 6.208 2.657
146 H PHE 17 H PHE 17 5.356 2.227 0.843
147 HA PHE 17 HA PHE 17 6.932 0.093 1.616
148 HB2 PHE 17 2HB PHE 17 4.686 -0.150 0.671
149 HB3 PHE 17 1HB PHE 17 5.292 0.330 -0.910
150 HD1 PHE 17 2HD PHE 17 5.851 -2.144 1.826
151 HD2 PHE 17 1HD PHE 17 6.117 -1.311 -2.377
152 HE1 PHE 17 2HE PHE 17 6.486 -4.499 1.406
153 HE2 PHE 17 1HE PHE 17 6.751 -3.669 -2.802
154 HZ PHE 17 HZ PHE 17 6.940 -5.266 -0.912
155 H LYS 18 H LYS 18 7.159 2.056 -1.332
156 HA LYS 18 HA LYS 18 9.157 0.486 -2.579
157 HB2 LYS 18 2HB LYS 18 7.592 2.522 -3.397
158 HB3 LYS 18 1HB LYS 18 9.097 3.402 -3.137
159 HG2 LYS 18 2HG LYS 18 9.382 2.695 -5.335
160 HG3 LYS 18 1HG LYS 18 10.155 1.371 -4.464
161 HD2 LYS 18 2HD LYS 18 8.060 0.072 -4.574
162 HD3 LYS 18 1HD LYS 18 7.283 1.397 -5.441
163 HE2 LYS 18 2HE LYS 18 7.982 -0.129 -7.130
164 HE3 LYS 18 1HE LYS 18 9.170 1.174 -7.162
165 HZ1 LYS 18 3HZ LYS 18 10.242 -0.985 -7.196
166 HZ2 LYS 18 1HZ LYS 18 9.477 -1.419 -5.746
167 HZ3 LYS 18 2HZ LYS 18 10.618 -0.160 -5.760
168 H ARG 19 H ARG 19 9.377 3.328 -0.454
169 HA ARG 19 HA ARG 19 12.288 3.296 -0.629
170 HB2 ARG 19 2HB ARG 19 12.049 5.202 1.076
171 HB3 ARG 19 1HB ARG 19 11.431 5.489 -0.548
172 HG2 ARG 19 2HG ARG 19 9.158 4.913 0.220
173 HG3 ARG 19 1HG ARG 19 9.776 4.645 1.847
174 HD2 ARG 19 2HD ARG 19 8.891 6.866 1.820
175 HD3 ARG 19 1HD ARG 19 10.646 7.032 1.776
176 HE ARG 19 HE ARG 19 9.955 7.028 -0.858
177 HH11 ARG 19 1HH2 ARG 19 8.905 8.765 1.943
178 HH12 ARG 19 2HH2 ARG 19 8.514 10.210 1.071
179 HH21 ARG 19 1HH1 ARG 19 9.445 8.917 -2.009
180 HH22 ARG 19 2HH1 ARG 19 8.819 10.296 -1.168
181 H ILE 20 H ILE 20 9.826 2.865 1.920
182 HA ILE 20 HA ILE 20 11.531 2.308 4.033
183 HB ILE 20 HB ILE 20 8.900 2.554 3.843
184 HG12 ILE 20 2HG1 ILE 20 10.274 0.781 5.880
185 HG13 ILE 20 1HG1 ILE 20 10.217 2.543 5.910
186 HG21 ILE 20 1HG2 ILE 20 8.847 0.295 2.597
187 HG22 ILE 20 2HG2 ILE 20 7.683 0.531 3.896
188 HG23 ILE 20 3HG2 ILE 20 9.131 -0.436 4.175
189 HD11 ILE 20 3HD1 ILE 20 7.889 0.629 6.164
190 HD12 ILE 20 1HD1 ILE 20 7.689 2.363 5.908
191 HD13 ILE 20 2HD1 ILE 20 8.472 1.771 7.374
192 H VAL 21 H VAL 21 10.367 0.182 1.469
193 HA VAL 21 HA VAL 21 11.674 -2.131 2.670
194 HB VAL 21 HB VAL 21 9.395 -2.035 1.335
195 HG11 VAL 21 1HG1 VAL 21 9.506 -2.264 -0.979
196 HG12 VAL 21 2HG1 VAL 21 11.174 -2.829 -0.951
197 HG13 VAL 21 3HG1 VAL 21 10.819 -1.121 -0.697
198 HG21 VAL 21 3HG2 VAL 21 9.785 -4.421 0.657
199 HG22 VAL 21 1HG2 VAL 21 10.281 -4.070 2.313
200 HG23 VAL 21 2HG2 VAL 21 11.494 -4.203 1.040
201 H GLN 22 H GLN 22 13.097 0.279 1.610
202 HA GLN 22 HA GLN 22 14.546 0.588 -0.413
203 HB2 GLN 22 2HB GLN 22 16.754 0.113 0.815
204 HB3 GLN 22 1HB GLN 22 15.633 1.249 1.567
205 HG2 GLN 22 2HG GLN 22 14.777 -0.506 3.032
206 HG3 GLN 22 1HG GLN 22 15.800 -1.702 2.239
207 HE21 GLN 22 1HE2 GLN 22 17.989 0.495 2.056
208 HE22 GLN 22 2HE2 GLN 22 18.667 0.502 3.612
209 H ARG 23 H ARG 23 13.716 -1.192 -1.824
210 HA ARG 23 HA ARG 23 14.638 -3.824 -1.754
211 HB2 ARG 23 2HB ARG 23 14.308 -3.716 -4.286
212 HB3 ARG 23 1HB ARG 23 12.909 -3.304 -3.294
213 HG2 ARG 23 2HG ARG 23 13.144 -0.994 -3.701
214 HG3 ARG 23 1HG ARG 23 14.819 -1.165 -4.229
215 HD2 ARG 23 2HD ARG 23 12.586 -2.502 -5.748
216 HD3 ARG 23 1HD ARG 23 12.987 -0.812 -6.041
217 HE ARG 23 HE ARG 23 15.399 -2.080 -6.217
218 HH11 ARG 23 1HH2 ARG 23 12.276 -2.513 -7.642
219 HH12 ARG 23 2HH2 ARG 23 12.890 -3.156 -9.128
220 HH21 ARG 23 1HH1 ARG 23 16.212 -2.922 -8.164
221 HH22 ARG 23 2HH1 ARG 23 15.119 -3.387 -9.424
Start of MODEL 15
1 H1 LEU 1 1HT LEU 1 -17.960 0.916 2.429
2 H2 LEU 1 2HT LEU 1 -16.996 0.342 3.705
3 H3 LEU 1 3HT LEU 1 -18.174 -0.664 3.004
4 HA LEU 1 HA LEU 1 -16.624 -1.466 1.663
5 HB2 LEU 1 2HB LEU 1 -16.833 1.393 0.728
6 HB3 LEU 1 1HB LEU 1 -15.720 0.273 -0.059
7 HG LEU 1 HG LEU 1 -17.546 -1.256 -0.569
8 HD11 LEU 1 2HD1 LEU 1 -18.980 -1.027 1.323
9 HD12 LEU 1 3HD1 LEU 1 -19.915 -0.434 -0.049
10 HD13 LEU 1 1HD1 LEU 1 -19.163 0.709 1.065
11 HD21 LEU 1 1HD2 LEU 1 -17.171 0.530 -2.187
12 HD22 LEU 1 2HD2 LEU 1 -18.180 1.633 -1.251
13 HD23 LEU 1 3HD2 LEU 1 -18.904 0.239 -2.052
14 H LEU 2 H LEU 2 -15.271 -1.756 3.627
15 HA LEU 2 HA LEU 2 -13.303 -0.034 4.540
16 HB2 LEU 2 2HB LEU 2 -13.817 -2.185 5.596
17 HB3 LEU 2 1HB LEU 2 -13.082 -3.030 4.238
18 HG LEU 2 HG LEU 2 -11.288 -0.991 5.167
19 HD11 LEU 2 1HD1 LEU 2 -12.206 -2.956 7.286
20 HD12 LEU 2 2HD1 LEU 2 -12.414 -1.205 7.340
21 HD13 LEU 2 3HD1 LEU 2 -10.797 -1.904 7.420
22 HD21 LEU 2 3HD2 LEU 2 -9.727 -2.795 5.265
23 HD22 LEU 2 1HD2 LEU 2 -10.797 -3.110 3.900
24 HD23 LEU 2 2HD2 LEU 2 -11.021 -3.984 5.415
25 H GLY 3 H GLY 3 -12.904 -2.574 2.134
26 HA2 GLY 3 2HA GLY 3 -10.355 -2.394 1.340
27 HA3 GLY 3 1HA GLY 3 -11.646 -2.538 0.149
28 H ASP 4 H ASP 4 -12.828 0.051 0.703
29 HA ASP 4 HA ASP 4 -11.363 1.681 -1.073
30 HB2 ASP 4 2HB ASP 4 -13.842 1.865 -0.363
31 HB3 ASP 4 1HB ASP 4 -13.239 2.767 1.025
32 H PHE 5 H PHE 5 -11.544 1.541 2.451
33 HA PHE 5 HA PHE 5 -9.904 3.730 3.083
34 HB2 PHE 5 2HB PHE 5 -10.636 2.999 5.089
35 HB3 PHE 5 1HB PHE 5 -11.014 1.413 4.456
36 HD1 PHE 5 1HD PHE 5 -9.237 -0.367 4.396
37 HD2 PHE 5 2HD PHE 5 -8.613 3.447 6.269
38 HE1 PHE 5 1HE PHE 5 -7.275 -1.276 5.607
39 HE2 PHE 5 2HE PHE 5 -6.648 2.536 7.476
40 HZ PHE 5 HZ PHE 5 -5.980 0.171 7.144
41 H PHE 6 H PHE 6 -9.132 0.302 2.632
42 HA PHE 6 HA PHE 6 -6.384 0.439 3.055
43 HB2 PHE 6 2HB PHE 6 -8.240 -1.410 1.703
44 HB3 PHE 6 1HB PHE 6 -6.589 -1.479 1.098
45 HD1 PHE 6 1HD PHE 6 -4.860 -1.080 3.334
46 HD2 PHE 6 2HD PHE 6 -8.642 -3.109 3.228
47 HE1 PHE 6 1HE PHE 6 -4.185 -2.432 5.297
48 HE2 PHE 6 2HE PHE 6 -7.970 -4.462 5.196
49 HZ PHE 6 HZ PHE 6 -5.743 -4.123 6.232
50 H ARG 7 H ARG 7 -8.183 0.853 0.003
51 HA ARG 7 HA ARG 7 -6.055 1.163 -1.739
52 HB2 ARG 7 2HB ARG 7 -8.801 2.394 -1.672
53 HB3 ARG 7 1HB ARG 7 -7.655 2.813 -2.946
54 HG2 ARG 7 2HG ARG 7 -7.508 0.548 -3.693
55 HG3 ARG 7 1HG ARG 7 -8.331 -0.053 -2.253
56 HD2 ARG 7 2HD ARG 7 -9.693 0.173 -4.461
57 HD3 ARG 7 1HD ARG 7 -10.421 0.736 -2.960
58 HE ARG 7 HE ARG 7 -9.163 2.955 -3.935
59 HH11 ARG 7 1HH2 ARG 7 -11.406 0.637 -5.186
60 HH12 ARG 7 2HH2 ARG 7 -12.178 1.756 -6.258
61 HH21 ARG 7 1HH1 ARG 7 -10.170 4.430 -5.342
62 HH22 ARG 7 2HH1 ARG 7 -11.478 3.904 -6.347
63 H LYS 8 H LYS 8 -7.501 3.551 0.440
64 HA LYS 8 HA LYS 8 -5.887 5.737 -0.450
65 HB2 LYS 8 2HB LYS 8 -7.445 5.255 2.098
66 HB3 LYS 8 1HB LYS 8 -6.606 6.765 1.742
67 HG2 LYS 8 2HG LYS 8 -7.992 7.230 -0.123
68 HG3 LYS 8 1HG LYS 8 -8.588 5.572 -0.198
69 HD2 LYS 8 2HD LYS 8 -9.957 5.845 1.700
70 HD3 LYS 8 1HD LYS 8 -9.078 7.274 2.241
71 HE2 LYS 8 2HE LYS 8 -11.384 7.651 1.138
72 HE3 LYS 8 1HE LYS 8 -10.042 8.642 0.565
73 HZ1 LYS 8 3HZ LYS 8 -11.275 7.731 -1.284
74 HZ2 LYS 8 1HZ LYS 8 -11.044 6.153 -0.709
75 HZ3 LYS 8 2HZ LYS 8 -9.714 7.063 -1.246
76 H SER 9 H SER 9 -5.675 3.438 2.245
77 HA SER 9 HA SER 9 -3.280 4.525 3.343
78 HB2 SER 9 2HB SER 9 -3.643 1.691 3.888
79 HB3 SER 9 1HB SER 9 -3.714 3.059 4.995
80 HG SER 9 HG SER 9 -5.788 2.313 3.204
81 H LYS 10 H LYS 10 -3.904 1.664 1.292
82 HA LYS 10 HA LYS 10 -1.314 0.733 1.038
83 HB2 LYS 10 2HB LYS 10 -3.793 0.515 -0.520
84 HB3 LYS 10 1HB LYS 10 -2.345 0.379 -1.513
85 HG2 LYS 10 2HG LYS 10 -2.942 -1.836 -0.742
86 HG3 LYS 10 1HG LYS 10 -1.477 -1.339 0.104
87 HD2 LYS 10 2HD LYS 10 -3.110 -0.463 1.936
88 HD3 LYS 10 1HD LYS 10 -4.294 -1.507 1.150
89 HE2 LYS 10 2HE LYS 10 -3.244 -2.780 2.920
90 HE3 LYS 10 1HE LYS 10 -2.662 -3.409 1.378
91 HZ1 LYS 10 3HZ LYS 10 -0.793 -1.679 1.721
92 HZ2 LYS 10 1HZ LYS 10 -0.726 -3.150 2.562
93 HZ3 LYS 10 2HZ LYS 10 -1.256 -1.744 3.354
94 H GLU 11 H GLU 11 -2.906 3.388 -0.658
95 HA GLU 11 HA GLU 11 -0.884 3.929 -2.544
96 HB2 GLU 11 2HB GLU 11 -3.057 5.573 -1.272
97 HB3 GLU 11 1HB GLU 11 -1.857 6.351 -2.306
98 HG2 GLU 11 2HG GLU 11 -2.430 4.922 -4.165
99 HG3 GLU 11 1HG GLU 11 -3.478 3.936 -3.149
100 H LYS 12 H LYS 12 -1.487 5.401 0.659
101 HA LYS 12 HA LYS 12 0.817 7.011 0.708
102 HB2 LYS 12 2HB LYS 12 -1.257 6.900 2.327
103 HB3 LYS 12 1HB LYS 12 -0.242 5.778 3.231
104 HG2 LYS 12 2HG LYS 12 1.555 7.465 3.322
105 HG3 LYS 12 1HG LYS 12 0.548 8.589 2.409
106 HD2 LYS 12 2HD LYS 12 -1.201 8.216 4.297
107 HD3 LYS 12 1HD LYS 12 0.157 7.573 5.220
108 HE2 LYS 12 2HE LYS 12 1.385 9.754 4.554
109 HE3 LYS 12 1HE LYS 12 -0.217 10.361 4.131
110 HZ1 LYS 12 3HZ LYS 12 0.916 10.325 6.630
111 HZ2 LYS 12 1HZ LYS 12 -0.226 9.071 6.666
112 HZ3 LYS 12 2HZ LYS 12 -0.711 10.647 6.258
113 H ILE 13 H ILE 13 0.277 3.694 1.901
114 HA ILE 13 HA ILE 13 2.901 3.302 2.881
115 HB ILE 13 HB ILE 13 0.591 1.532 2.125
116 HG12 ILE 13 2HG1 ILE 13 1.073 0.849 4.606
117 HG13 ILE 13 1HG1 ILE 13 2.017 2.336 4.656
118 HG21 ILE 13 1HG2 ILE 13 2.441 0.212 1.411
119 HG22 ILE 13 2HG2 ILE 13 1.998 -0.379 3.011
120 HG23 ILE 13 3HG2 ILE 13 3.394 0.679 2.820
121 HD11 ILE 13 3HD1 ILE 13 0.019 3.594 3.878
122 HD12 ILE 13 1HD1 ILE 13 -0.267 2.774 5.411
123 HD13 ILE 13 2HD1 ILE 13 -0.912 2.097 3.917
124 H GLY 14 H GLY 14 1.324 2.876 -0.235
125 HA2 GLY 14 2HA GLY 14 3.118 1.284 -1.599
126 HA3 GLY 14 1HA GLY 14 2.208 2.594 -2.346
127 H LYS 15 H LYS 15 3.242 4.814 -1.161
128 HA LYS 15 HA LYS 15 5.695 5.160 -2.555
129 HB2 LYS 15 2HB LYS 15 4.041 6.820 -0.688
130 HB3 LYS 15 1HB LYS 15 5.691 7.332 -1.043
131 HG2 LYS 15 2HG LYS 15 4.041 8.339 -2.610
132 HG3 LYS 15 1HG LYS 15 5.214 7.319 -3.443
133 HD2 LYS 15 2HD LYS 15 3.630 5.492 -3.575
134 HD3 LYS 15 1HD LYS 15 2.480 6.359 -2.556
135 HE2 LYS 15 2HE LYS 15 3.457 7.534 -5.157
136 HE3 LYS 15 1HE LYS 15 2.089 6.422 -5.110
137 HZ1 LYS 15 3HZ LYS 15 1.942 9.090 -4.720
138 HZ2 LYS 15 1HZ LYS 15 1.960 8.501 -3.129
139 HZ3 LYS 15 2HZ LYS 15 0.772 7.964 -4.218
140 H GLU 16 H GLU 16 4.979 5.171 0.953
141 HA GLU 16 HA GLU 16 7.670 5.234 1.797
142 HB2 GLU 16 2HB GLU 16 5.143 4.210 3.103
143 HB3 GLU 16 1HB GLU 16 6.707 4.166 3.919
144 HG2 GLU 16 2HG GLU 16 6.935 6.622 3.532
145 HG3 GLU 16 1HG GLU 16 5.315 6.633 2.838
146 H PHE 17 H PHE 17 5.464 2.553 1.109
147 HA PHE 17 HA PHE 17 7.065 0.407 1.895
148 HB2 PHE 17 2HB PHE 17 4.732 0.156 1.244
149 HB3 PHE 17 1HB PHE 17 5.116 0.620 -0.406
150 HD1 PHE 17 2HD PHE 17 6.406 -1.777 2.169
151 HD2 PHE 17 1HD PHE 17 5.269 -1.132 -1.921
152 HE1 PHE 17 2HE PHE 17 6.890 -4.152 1.665
153 HE2 PHE 17 1HE PHE 17 5.748 -3.509 -2.428
154 HZ PHE 17 HZ PHE 17 6.564 -5.022 -0.638
155 H LYS 18 H LYS 18 6.890 2.079 -1.240
156 HA LYS 18 HA LYS 18 8.646 0.501 -2.690
157 HB2 LYS 18 2HB LYS 18 7.244 2.764 -3.197
158 HB3 LYS 18 1HB LYS 18 8.877 3.423 -3.131
159 HG2 LYS 18 2HG LYS 18 8.729 2.801 -5.375
160 HG3 LYS 18 1HG LYS 18 9.459 1.360 -4.672
161 HD2 LYS 18 2HD LYS 18 7.278 0.269 -4.546
162 HD3 LYS 18 1HD LYS 18 6.481 1.734 -5.118
163 HE2 LYS 18 2HE LYS 18 6.989 -0.148 -6.843
164 HE3 LYS 18 1HE LYS 18 7.357 1.519 -7.287
165 HZ1 LYS 18 3HZ LYS 18 9.643 1.165 -6.600
166 HZ2 LYS 18 1HZ LYS 18 9.200 0.044 -7.793
167 HZ3 LYS 18 2HZ LYS 18 9.289 -0.440 -6.167
168 H ARG 19 H ARG 19 9.431 3.314 -0.632
169 HA ARG 19 HA ARG 19 12.258 3.043 -1.097
170 HB2 ARG 19 2HB ARG 19 12.440 4.740 0.740
171 HB3 ARG 19 1HB ARG 19 11.399 5.237 -0.593
172 HG2 ARG 19 2HG ARG 19 9.422 4.575 0.662
173 HG3 ARG 19 1HG ARG 19 10.423 4.000 1.991
174 HD2 ARG 19 2HD ARG 19 10.118 6.840 1.009
175 HD3 ARG 19 1HD ARG 19 9.640 6.209 2.579
176 HE ARG 19 HE ARG 19 12.140 7.301 1.941
177 HH11 ARG 19 1HH2 ARG 19 10.895 4.412 3.400
178 HH12 ARG 19 2HH2 ARG 19 12.367 4.047 4.234
179 HH21 ARG 19 1HH1 ARG 19 14.049 6.829 3.044
180 HH22 ARG 19 2HH1 ARG 19 14.146 5.414 4.038
181 H ILE 20 H ILE 20 9.976 1.701 1.145
182 HA ILE 20 HA ILE 20 11.967 0.937 3.096
183 HB ILE 20 HB ILE 20 9.214 1.260 3.141
184 HG12 ILE 20 2HG1 ILE 20 10.932 -0.263 5.113
185 HG13 ILE 20 1HG1 ILE 20 10.828 1.493 4.995
186 HG21 ILE 20 1HG2 ILE 20 8.219 -0.868 3.668
187 HG22 ILE 20 2HG2 ILE 20 9.774 -1.688 3.550
188 HG23 ILE 20 3HG2 ILE 20 9.009 -1.035 2.102
189 HD11 ILE 20 3HD1 ILE 20 9.304 0.882 6.727
190 HD12 ILE 20 1HD1 ILE 20 8.642 -0.443 5.772
191 HD13 ILE 20 2HD1 ILE 20 8.305 1.227 5.315
192 H VAL 21 H VAL 21 10.390 -0.469 0.326
193 HA VAL 21 HA VAL 21 11.907 -2.982 0.746
194 HB VAL 21 HB VAL 21 9.437 -3.235 0.808
195 HG11 VAL 21 1HG1 VAL 21 8.888 -2.976 -2.000
196 HG12 VAL 21 2HG1 VAL 21 9.579 -1.458 -1.435
197 HG13 VAL 21 3HG1 VAL 21 8.143 -2.113 -0.658
198 HG21 VAL 21 3HG2 VAL 21 10.487 -4.471 -1.741
199 HG22 VAL 21 1HG2 VAL 21 9.404 -5.175 -0.541
200 HG23 VAL 21 2HG2 VAL 21 11.113 -4.958 -0.166
201 H GLN 22 H GLN 22 13.597 -1.426 -0.286
202 HA GLN 22 HA GLN 22 13.346 -0.951 -3.113
203 HB2 GLN 22 2HB GLN 22 15.717 -0.804 -1.239
204 HB3 GLN 22 1HB GLN 22 15.762 -0.323 -2.936
205 HG2 GLN 22 2HG GLN 22 13.798 1.220 -2.416
206 HG3 GLN 22 1HG GLN 22 14.109 0.889 -0.713
207 HE21 GLN 22 1HE2 GLN 22 16.508 1.308 -0.032
208 HE22 GLN 22 2HE2 GLN 22 17.264 2.658 -0.730
209 H ARG 23 H ARG 23 12.797 -3.138 -3.769
210 HA ARG 23 HA ARG 23 13.301 -5.165 -4.719
211 HB2 ARG 23 2HB ARG 23 16.151 -4.155 -4.736
212 HB3 ARG 23 1HB ARG 23 15.442 -5.376 -5.793
213 HG2 ARG 23 2HG ARG 23 13.806 -3.573 -6.561
214 HG3 ARG 23 1HG ARG 23 14.837 -2.412 -5.725
215 HD2 ARG 23 2HD ARG 23 15.625 -2.418 -7.963
216 HD3 ARG 23 1HD ARG 23 16.778 -3.410 -7.075
217 HE ARG 23 HE ARG 23 14.948 -5.220 -7.986
218 HH11 ARG 23 1HH2 ARG 23 16.854 -2.706 -9.412
219 HH12 ARG 23 2HH2 ARG 23 16.995 -3.495 -10.948
220 HH21 ARG 23 1HH1 ARG 23 15.138 -6.265 -9.995
221 HH22 ARG 23 2HH1 ARG 23 16.027 -5.510 -11.277
Start of MODEL 16
1 H1 LEU 1 1HT LEU 1 -16.609 1.464 1.106
2 H2 LEU 1 2HT LEU 1 -17.915 0.830 1.988
3 H3 LEU 1 3HT LEU 1 -17.853 0.636 0.301
4 HA LEU 1 HA LEU 1 -17.097 -1.243 2.023
5 HB2 LEU 1 2HB LEU 1 -15.682 -2.099 0.078
6 HB3 LEU 1 1HB LEU 1 -17.360 -1.716 -0.297
7 HG LEU 1 HG LEU 1 -15.687 0.646 -0.597
8 HD11 LEU 1 2HD1 LEU 1 -14.947 -1.787 -2.247
9 HD12 LEU 1 3HD1 LEU 1 -13.901 -0.959 -1.093
10 HD13 LEU 1 1HD1 LEU 1 -14.409 -0.139 -2.570
11 HD21 LEU 1 1HD2 LEU 1 -16.779 0.739 -2.762
12 HD22 LEU 1 2HD2 LEU 1 -17.970 0.216 -1.570
13 HD23 LEU 1 3HD2 LEU 1 -17.231 -0.963 -2.654
14 H LEU 2 H LEU 2 -15.593 -1.427 3.543
15 HA LEU 2 HA LEU 2 -13.630 0.260 4.305
16 HB2 LEU 2 2HB LEU 2 -14.182 -1.792 5.514
17 HB3 LEU 2 1HB LEU 2 -13.378 -2.748 4.277
18 HG LEU 2 HG LEU 2 -11.634 -0.632 5.115
19 HD11 LEU 2 1HD1 LEU 2 -11.255 -1.496 7.469
20 HD12 LEU 2 2HD1 LEU 2 -12.793 -2.346 7.325
21 HD13 LEU 2 3HD1 LEU 2 -12.749 -0.584 7.250
22 HD21 LEU 2 3HD2 LEU 2 -11.072 -2.840 4.060
23 HD22 LEU 2 1HD2 LEU 2 -11.398 -3.596 5.620
24 HD23 LEU 2 2HD2 LEU 2 -10.088 -2.426 5.464
25 H GLY 3 H GLY 3 -13.104 -2.434 2.114
26 HA2 GLY 3 2HA GLY 3 -10.514 -2.360 1.473
27 HA3 GLY 3 1HA GLY 3 -11.728 -2.537 0.209
28 H ASP 4 H ASP 4 -12.859 0.121 0.533
29 HA ASP 4 HA ASP 4 -11.199 1.586 -1.222
30 HB2 ASP 4 2HB ASP 4 -12.768 3.321 -1.047
31 HB3 ASP 4 1HB ASP 4 -13.730 1.884 -0.715
32 H PHE 5 H PHE 5 -11.715 1.751 2.275
33 HA PHE 5 HA PHE 5 -10.068 3.909 2.909
34 HB2 PHE 5 2HB PHE 5 -10.959 3.277 4.889
35 HB3 PHE 5 1HB PHE 5 -11.263 1.648 4.323
36 HD1 PHE 5 1HD PHE 5 -9.499 -0.103 4.529
37 HD2 PHE 5 2HD PHE 5 -8.986 3.848 6.134
38 HE1 PHE 5 1HE PHE 5 -7.611 -0.905 5.916
39 HE2 PHE 5 2HE PHE 5 -7.092 3.042 7.517
40 HZ PHE 5 HZ PHE 5 -6.404 0.662 7.408
41 H PHE 6 H PHE 6 -9.290 0.452 2.711
42 HA PHE 6 HA PHE 6 -6.559 0.636 3.270
43 HB2 PHE 6 2HB PHE 6 -8.331 -1.318 1.937
44 HB3 PHE 6 1HB PHE 6 -6.640 -1.419 1.462
45 HD1 PHE 6 1HD PHE 6 -5.065 -0.881 3.771
46 HD2 PHE 6 2HD PHE 6 -8.858 -2.884 3.555
47 HE1 PHE 6 1HE PHE 6 -4.540 -2.096 5.865
48 HE2 PHE 6 2HE PHE 6 -8.335 -4.097 5.654
49 HZ PHE 6 HZ PHE 6 -6.177 -3.704 6.810
50 H ARG 7 H ARG 7 -8.273 0.954 0.178
51 HA ARG 7 HA ARG 7 -6.120 1.090 -1.560
52 HB2 ARG 7 2HB ARG 7 -8.901 1.770 -1.627
53 HB3 ARG 7 1HB ARG 7 -7.998 3.099 -2.352
54 HG2 ARG 7 2HG ARG 7 -6.834 1.497 -3.832
55 HG3 ARG 7 1HG ARG 7 -7.750 0.172 -3.114
56 HD2 ARG 7 2HD ARG 7 -8.752 0.941 -5.252
57 HD3 ARG 7 1HD ARG 7 -9.848 1.159 -3.890
58 HE ARG 7 HE ARG 7 -8.554 3.557 -4.058
59 HH11 ARG 7 1HH2 ARG 7 -10.273 1.523 -6.269
60 HH12 ARG 7 2HH2 ARG 7 -10.849 2.834 -7.243
61 HH21 ARG 7 1HH1 ARG 7 -9.305 5.281 -5.331
62 HH22 ARG 7 2HH1 ARG 7 -10.301 4.962 -6.712
63 H LYS 8 H LYS 8 -7.445 3.578 0.565
64 HA LYS 8 HA LYS 8 -5.736 5.672 -0.389
65 HB2 LYS 8 2HB LYS 8 -7.681 5.302 1.826
66 HB3 LYS 8 1HB LYS 8 -6.427 6.512 2.094
67 HG2 LYS 8 2HG LYS 8 -7.071 7.766 0.188
68 HG3 LYS 8 1HG LYS 8 -8.030 6.438 -0.465
69 HD2 LYS 8 2HD LYS 8 -9.780 6.776 1.042
70 HD3 LYS 8 1HD LYS 8 -8.744 7.575 2.224
71 HE2 LYS 8 2HE LYS 8 -8.645 9.580 0.924
72 HE3 LYS 8 1HE LYS 8 -9.354 8.785 -0.481
73 HZ1 LYS 8 3HZ LYS 8 -10.642 9.720 1.975
74 HZ2 LYS 8 1HZ LYS 8 -11.279 8.339 1.223
75 HZ3 LYS 8 2HZ LYS 8 -11.184 9.803 0.366
76 H SER 9 H SER 9 -5.646 3.414 2.349
77 HA SER 9 HA SER 9 -3.227 4.452 3.460
78 HB2 SER 9 2HB SER 9 -4.467 1.714 3.804
79 HB3 SER 9 1HB SER 9 -3.235 2.433 4.835
80 HG SER 9 HG SER 9 -5.814 3.519 4.344
81 H LYS 10 H LYS 10 -3.945 1.556 1.496
82 HA LYS 10 HA LYS 10 -1.386 0.524 1.277
83 HB2 LYS 10 2HB LYS 10 -3.865 0.382 -0.319
84 HB3 LYS 10 1HB LYS 10 -2.395 0.065 -1.238
85 HG2 LYS 10 2HG LYS 10 -3.234 -2.031 -0.319
86 HG3 LYS 10 1HG LYS 10 -1.724 -1.610 0.489
87 HD2 LYS 10 2HD LYS 10 -2.852 -0.871 2.445
88 HD3 LYS 10 1HD LYS 10 -4.409 -0.818 1.617
89 HE2 LYS 10 2HE LYS 10 -3.761 -2.869 3.193
90 HE3 LYS 10 1HE LYS 10 -4.702 -3.113 1.721
91 HZ1 LYS 10 3HZ LYS 10 -1.771 -3.163 1.564
92 HZ2 LYS 10 1HZ LYS 10 -2.915 -3.972 0.608
93 HZ3 LYS 10 2HZ LYS 10 -2.582 -4.524 2.180
94 H GLU 11 H GLU 11 -2.902 3.143 -0.559
95 HA GLU 11 HA GLU 11 -0.855 3.556 -2.440
96 HB2 GLU 11 2HB GLU 11 -3.153 5.084 -1.406
97 HB3 GLU 11 1HB GLU 11 -1.841 6.069 -2.057
98 HG2 GLU 11 2HG GLU 11 -3.383 5.507 -3.848
99 HG3 GLU 11 1HG GLU 11 -1.864 4.674 -4.123
100 H LYS 12 H LYS 12 -1.444 5.179 0.689
101 HA LYS 12 HA LYS 12 0.837 6.783 0.730
102 HB2 LYS 12 2HB LYS 12 -0.623 5.441 3.021
103 HB3 LYS 12 1HB LYS 12 0.618 6.676 3.229
104 HG2 LYS 12 2HG LYS 12 -0.877 8.055 1.550
105 HG3 LYS 12 1HG LYS 12 -2.142 6.943 2.068
106 HD2 LYS 12 2HD LYS 12 -0.457 8.684 3.892
107 HD3 LYS 12 1HD LYS 12 -2.147 8.962 3.472
108 HE2 LYS 12 2HE LYS 12 -2.680 6.698 4.443
109 HE3 LYS 12 1HE LYS 12 -1.013 6.614 5.015
110 HZ1 LYS 12 3HZ LYS 12 -1.383 8.668 6.246
111 HZ2 LYS 12 1HZ LYS 12 -2.466 7.458 6.735
112 HZ3 LYS 12 2HZ LYS 12 -2.997 8.711 5.717
113 H ILE 13 H ILE 13 0.382 3.461 1.931
114 HA ILE 13 HA ILE 13 3.010 3.053 2.830
115 HB ILE 13 HB ILE 13 0.711 1.305 1.994
116 HG12 ILE 13 2HG1 ILE 13 1.228 0.456 4.401
117 HG13 ILE 13 1HG1 ILE 13 2.218 1.907 4.538
118 HG21 ILE 13 1HG2 ILE 13 2.134 -0.667 2.678
119 HG22 ILE 13 2HG2 ILE 13 3.532 0.401 2.574
120 HG23 ILE 13 3HG2 ILE 13 2.570 0.061 1.133
121 HD11 ILE 13 3HD1 ILE 13 0.227 3.267 3.868
122 HD12 ILE 13 1HD1 ILE 13 -0.010 2.392 5.380
123 HD13 ILE 13 2HD1 ILE 13 -0.739 1.791 3.890
124 H GLY 14 H GLY 14 1.472 2.899 -0.305
125 HA2 GLY 14 2HA GLY 14 3.283 1.367 -1.746
126 HA3 GLY 14 1HA GLY 14 2.315 2.672 -2.425
127 H LYS 15 H LYS 15 3.346 4.867 -1.068
128 HA LYS 15 HA LYS 15 5.754 5.262 -2.556
129 HB2 LYS 15 2HB LYS 15 5.574 7.499 -1.935
130 HB3 LYS 15 1HB LYS 15 3.902 6.950 -1.893
131 HG2 LYS 15 2HG LYS 15 4.638 6.385 0.659
132 HG3 LYS 15 1HG LYS 15 5.690 7.758 0.348
133 HD2 LYS 15 2HD LYS 15 3.087 8.400 -0.668
134 HD3 LYS 15 1HD LYS 15 2.889 7.758 0.958
135 HE2 LYS 15 2HE LYS 15 4.850 9.949 0.225
136 HE3 LYS 15 1HE LYS 15 3.252 10.236 0.912
137 HZ1 LYS 15 3HZ LYS 15 5.550 8.846 2.153
138 HZ2 LYS 15 1HZ LYS 15 3.972 8.698 2.759
139 HZ3 LYS 15 2HZ LYS 15 4.725 10.221 2.715
140 H GLU 16 H GLU 16 5.037 4.768 0.887
141 HA GLU 16 HA GLU 16 7.781 5.049 1.706
142 HB2 GLU 16 2HB GLU 16 5.369 3.791 3.039
143 HB3 GLU 16 1HB GLU 16 6.952 3.919 3.804
144 HG2 GLU 16 2HG GLU 16 6.834 6.425 3.323
145 HG3 GLU 16 1HG GLU 16 5.137 6.169 2.918
146 H PHE 17 H PHE 17 5.578 2.337 1.169
147 HA PHE 17 HA PHE 17 7.177 0.167 1.654
148 HB2 PHE 17 2HB PHE 17 4.877 -0.051 0.999
149 HB3 PHE 17 1HB PHE 17 5.227 0.645 -0.570
150 HD1 PHE 17 2HD PHE 17 6.496 -2.091 1.623
151 HD2 PHE 17 1HD PHE 17 5.438 -0.848 -2.345
152 HE1 PHE 17 2HE PHE 17 6.978 -4.369 0.792
153 HE2 PHE 17 1HE PHE 17 5.914 -3.127 -3.184
154 HZ PHE 17 HZ PHE 17 6.694 -4.895 -1.622
155 H LYS 18 H LYS 18 6.980 2.064 -1.356
156 HA LYS 18 HA LYS 18 8.994 0.558 -2.695
157 HB2 LYS 18 2HB LYS 18 7.553 3.128 -3.148
158 HB3 LYS 18 1HB LYS 18 9.034 2.848 -4.062
159 HG2 LYS 18 2HG LYS 18 6.816 0.796 -3.924
160 HG3 LYS 18 1HG LYS 18 6.823 2.071 -5.138
161 HD2 LYS 18 2HD LYS 18 9.038 0.035 -4.725
162 HD3 LYS 18 1HD LYS 18 7.836 -0.011 -6.009
163 HE2 LYS 18 2HE LYS 18 9.469 1.100 -7.174
164 HE3 LYS 18 1HE LYS 18 8.774 2.506 -6.368
165 HZ1 LYS 18 3HZ LYS 18 10.434 1.770 -4.494
166 HZ2 LYS 18 1HZ LYS 18 10.947 2.740 -5.789
167 HZ3 LYS 18 2HZ LYS 18 11.262 1.070 -5.803
168 H ARG 19 H ARG 19 9.025 2.991 -0.296
169 HA ARG 19 HA ARG 19 11.796 3.776 -0.824
170 HB2 ARG 19 2HB ARG 19 9.771 4.667 1.234
171 HB3 ARG 19 1HB ARG 19 11.424 5.253 1.191
172 HG2 ARG 19 2HG ARG 19 9.836 5.376 -1.347
173 HG3 ARG 19 1HG ARG 19 9.456 6.545 -0.083
174 HD2 ARG 19 2HD ARG 19 11.399 6.949 -1.930
175 HD3 ARG 19 1HD ARG 19 11.452 7.645 -0.311
176 HE ARG 19 HE ARG 19 12.615 5.189 -0.010
177 HH11 ARG 19 1HH2 ARG 19 13.080 7.915 -2.092
178 HH12 ARG 19 2HH2 ARG 19 14.783 7.660 -2.278
179 HH21 ARG 19 1HH1 ARG 19 14.851 4.849 -0.251
180 HH22 ARG 19 2HH1 ARG 19 15.785 5.924 -1.235
181 H ILE 20 H ILE 20 9.964 1.584 1.128
182 HA ILE 20 HA ILE 20 12.212 1.173 2.975
183 HB ILE 20 HB ILE 20 10.727 0.299 4.475
184 HG12 ILE 20 2HG1 ILE 20 9.172 -0.798 2.114
185 HG13 ILE 20 1HG1 ILE 20 10.152 -1.710 3.262
186 HG21 ILE 20 1HG2 ILE 20 8.921 1.709 4.588
187 HG22 ILE 20 2HG2 ILE 20 8.420 1.367 2.942
188 HG23 ILE 20 3HG2 ILE 20 9.735 2.500 3.242
189 HD11 ILE 20 3HD1 ILE 20 8.599 -0.851 5.086
190 HD12 ILE 20 1HD1 ILE 20 7.877 -1.993 3.955
191 HD13 ILE 20 2HD1 ILE 20 7.545 -0.270 3.799
192 H VAL 21 H VAL 21 10.204 -0.606 0.662
193 HA VAL 21 HA VAL 21 11.832 -2.992 0.869
194 HB VAL 21 HB VAL 21 9.296 -2.841 0.380
195 HG11 VAL 21 1HG1 VAL 21 10.026 -1.270 -1.705
196 HG12 VAL 21 2HG1 VAL 21 8.556 -2.240 -1.708
197 HG13 VAL 21 3HG1 VAL 21 10.005 -2.836 -2.513
198 HG21 VAL 21 3HG2 VAL 21 10.328 -4.975 0.329
199 HG22 VAL 21 1HG2 VAL 21 11.263 -4.582 -1.113
200 HG23 VAL 21 2HG2 VAL 21 9.523 -4.840 -1.233
201 H GLN 22 H GLN 22 13.251 -0.614 0.085
202 HA GLN 22 HA GLN 22 13.737 -0.149 -2.553
203 HB2 GLN 22 2HB GLN 22 15.981 -0.574 -0.577
204 HB3 GLN 22 1HB GLN 22 15.947 0.521 -1.959
205 HG2 GLN 22 2HG GLN 22 13.999 1.700 -0.839
206 HG3 GLN 22 1HG GLN 22 14.337 0.732 0.594
207 HE21 GLN 22 1HE2 GLN 22 17.346 0.949 -0.412
208 HE22 GLN 22 2HE2 GLN 22 17.822 2.450 0.222
209 H ARG 23 H ARG 23 13.327 -1.998 -3.810
210 HA ARG 23 HA ARG 23 14.572 -4.496 -3.524
211 HB2 ARG 23 2HB ARG 23 13.933 -4.890 -5.848
212 HB3 ARG 23 1HB ARG 23 12.625 -4.076 -4.992
213 HG2 ARG 23 2HG ARG 23 12.663 -2.607 -6.734
214 HG3 ARG 23 1HG ARG 23 14.082 -1.935 -5.934
215 HD2 ARG 23 2HD ARG 23 15.414 -3.733 -7.248
216 HD3 ARG 23 1HD ARG 23 13.967 -3.869 -8.242
217 HE ARG 23 HE ARG 23 14.463 -1.183 -8.191
218 HH11 ARG 23 1HH2 ARG 23 16.299 -4.020 -8.935
219 HH12 ARG 23 2HH2 ARG 23 17.306 -3.231 -10.102
220 HH21 ARG 23 1HH1 ARG 23 15.780 -0.141 -9.722
221 HH22 ARG 23 2HH1 ARG 23 17.011 -1.037 -10.549
Start of MODEL 17
1 H1 LEU 1 1HT LEU 1 -16.776 1.363 5.695
2 H2 LEU 1 2HT LEU 1 -18.275 0.933 5.024
3 H3 LEU 1 3HT LEU 1 -17.738 2.544 4.949
4 HA LEU 1 HA LEU 1 -17.121 0.313 3.238
5 HB2 LEU 1 2HB LEU 1 -17.079 3.329 3.110
6 HB3 LEU 1 1HB LEU 1 -16.419 2.355 1.799
7 HG LEU 1 HG LEU 1 -18.827 3.012 1.471
8 HD11 LEU 1 2HD1 LEU 1 -19.316 1.032 0.399
9 HD12 LEU 1 3HD1 LEU 1 -18.844 0.038 1.775
10 HD13 LEU 1 1HD1 LEU 1 -17.610 0.739 0.727
11 HD21 LEU 1 1HD2 LEU 1 -20.533 2.127 2.868
12 HD22 LEU 1 2HD2 LEU 1 -19.309 2.728 3.985
13 HD23 LEU 1 3HD2 LEU 1 -19.422 1.000 3.647
14 H LEU 2 H LEU 2 -15.350 -0.761 4.164
15 HA LEU 2 HA LEU 2 -12.960 0.645 4.936
16 HB2 LEU 2 2HB LEU 2 -13.671 -1.543 5.906
17 HB3 LEU 2 1HB LEU 2 -13.258 -2.292 4.365
18 HG LEU 2 HG LEU 2 -11.004 -1.030 4.626
19 HD11 LEU 2 1HD1 LEU 2 -12.065 -1.045 7.464
20 HD12 LEU 2 2HD1 LEU 2 -11.481 0.343 6.549
21 HD13 LEU 2 3HD1 LEU 2 -10.351 -0.898 7.084
22 HD21 LEU 2 3HD2 LEU 2 -10.086 -2.911 5.956
23 HD22 LEU 2 1HD2 LEU 2 -11.166 -3.434 4.664
24 HD23 LEU 2 2HD2 LEU 2 -11.739 -3.403 6.332
25 H GLY 3 H GLY 3 -13.860 -1.443 2.258
26 HA2 GLY 3 2HA GLY 3 -11.648 -1.803 0.809
27 HA3 GLY 3 1HA GLY 3 -13.145 -1.316 0.019
28 H ASP 4 H ASP 4 -13.243 1.325 1.222
29 HA ASP 4 HA ASP 4 -11.594 2.737 -0.647
30 HB2 ASP 4 2HB ASP 4 -13.358 3.621 1.640
31 HB3 ASP 4 1HB ASP 4 -12.435 4.762 0.663
32 H PHE 5 H PHE 5 -11.412 1.957 2.765
33 HA PHE 5 HA PHE 5 -9.316 3.684 3.524
34 HB2 PHE 5 2HB PHE 5 -10.205 2.756 5.408
35 HB3 PHE 5 1HB PHE 5 -10.622 1.257 4.604
36 HD1 PHE 5 1HD PHE 5 -8.879 -0.526 4.279
37 HD2 PHE 5 2HD PHE 5 -8.132 3.033 6.564
38 HE1 PHE 5 1HE PHE 5 -6.887 -1.590 5.295
39 HE2 PHE 5 2HE PHE 5 -6.136 1.967 7.576
40 HZ PHE 5 HZ PHE 5 -5.514 -0.347 6.940
41 H PHE 6 H PHE 6 -9.274 0.303 2.440
42 HA PHE 6 HA PHE 6 -6.514 -0.103 2.573
43 HB2 PHE 6 2HB PHE 6 -8.788 -1.390 1.174
44 HB3 PHE 6 1HB PHE 6 -7.192 -1.718 0.507
45 HD1 PHE 6 2HD PHE 6 -5.329 -2.086 2.485
46 HD2 PHE 6 1HD PHE 6 -9.535 -2.909 2.760
47 HE1 PHE 6 2HE PHE 6 -4.893 -3.703 4.317
48 HE2 PHE 6 1HE PHE 6 -9.101 -4.528 4.588
49 HZ PHE 6 HZ PHE 6 -6.782 -4.924 5.368
50 H ARG 7 H ARG 7 -8.452 0.853 -0.291
51 HA ARG 7 HA ARG 7 -6.354 1.067 -2.088
52 HB2 ARG 7 2HB ARG 7 -7.901 1.957 -3.489
53 HB3 ARG 7 1HB ARG 7 -9.038 1.598 -2.194
54 HG2 ARG 7 2HG ARG 7 -8.607 3.902 -1.272
55 HG3 ARG 7 1HG ARG 7 -7.646 4.241 -2.712
56 HD2 ARG 7 2HD ARG 7 -9.694 3.542 -4.068
57 HD3 ARG 7 1HD ARG 7 -10.596 3.611 -2.558
58 HE ARG 7 HE ARG 7 -9.331 6.036 -2.680
59 HH11 ARG 7 1HH2 ARG 7 -11.375 4.192 -4.772
60 HH12 ARG 7 2HH2 ARG 7 -12.085 5.578 -5.531
61 HH21 ARG 7 1HH1 ARG 7 -10.254 7.860 -3.668
62 HH22 ARG 7 2HH1 ARG 7 -11.451 7.656 -4.903
63 H LYS 8 H LYS 8 -7.463 3.404 0.317
64 HA LYS 8 HA LYS 8 -5.598 5.444 -0.462
65 HB2 LYS 8 2HB LYS 8 -7.799 5.767 0.811
66 HB3 LYS 8 1HB LYS 8 -6.934 5.186 2.233
67 HG2 LYS 8 2HG LYS 8 -5.160 6.984 1.632
68 HG3 LYS 8 1HG LYS 8 -6.421 7.678 0.612
69 HD2 LYS 8 2HD LYS 8 -7.942 7.697 2.612
70 HD3 LYS 8 1HD LYS 8 -6.575 7.180 3.598
71 HE2 LYS 8 2HE LYS 8 -6.297 9.439 3.876
72 HE3 LYS 8 1HE LYS 8 -5.448 9.300 2.337
73 HZ1 LYS 8 3HZ LYS 8 -7.909 10.610 2.935
74 HZ2 LYS 8 1HZ LYS 8 -8.090 9.506 1.660
75 HZ3 LYS 8 2HZ LYS 8 -6.924 10.738 1.555
76 H SER 9 H SER 9 -5.702 2.898 1.992
77 HA SER 9 HA SER 9 -3.231 3.661 3.234
78 HB2 SER 9 2HB SER 9 -5.097 2.299 4.299
79 HB3 SER 9 1HB SER 9 -4.532 0.938 3.335
80 HG SER 9 HG SER 9 -3.634 1.561 5.629
81 H LYS 10 H LYS 10 -4.154 0.991 1.040
82 HA LYS 10 HA LYS 10 -1.672 -0.194 0.727
83 HB2 LYS 10 2HB LYS 10 -4.096 0.052 -1.009
84 HB3 LYS 10 1HB LYS 10 -2.617 -0.573 -1.737
85 HG2 LYS 10 2HG LYS 10 -2.511 -2.396 -0.217
86 HG3 LYS 10 1HG LYS 10 -3.686 -1.658 0.871
87 HD2 LYS 10 2HD LYS 10 -5.417 -1.876 -0.918
88 HD3 LYS 10 1HD LYS 10 -4.237 -2.722 -1.912
89 HE2 LYS 10 2HE LYS 10 -3.965 -4.304 0.125
90 HE3 LYS 10 1HE LYS 10 -5.492 -3.615 0.676
91 HZ1 LYS 10 3HZ LYS 10 -5.097 -4.798 -2.015
92 HZ2 LYS 10 1HZ LYS 10 -6.562 -4.324 -1.305
93 HZ3 LYS 10 2HZ LYS 10 -5.715 -5.662 -0.689
94 H GLU 11 H GLU 11 -3.010 2.668 -0.874
95 HA GLU 11 HA GLU 11 -0.821 3.049 -2.663
96 HB2 GLU 11 2HB GLU 11 -2.979 4.870 -1.594
97 HB3 GLU 11 1HB GLU 11 -1.722 5.455 -2.685
98 HG2 GLU 11 2HG GLU 11 -2.400 3.980 -4.426
99 HG3 GLU 11 1HG GLU 11 -3.404 3.030 -3.331
100 H LYS 12 H LYS 12 -1.632 4.301 0.553
101 HA LYS 12 HA LYS 12 0.503 6.067 0.899
102 HB2 LYS 12 2HB LYS 12 -1.592 5.363 2.434
103 HB3 LYS 12 1HB LYS 12 -0.341 4.417 3.237
104 HG2 LYS 12 2HG LYS 12 -0.159 6.434 4.381
105 HG3 LYS 12 1HG LYS 12 1.028 6.679 3.099
106 HD2 LYS 12 2HD LYS 12 -0.910 7.709 1.745
107 HD3 LYS 12 1HD LYS 12 -1.787 7.765 3.274
108 HE2 LYS 12 2HE LYS 12 0.065 9.073 4.275
109 HE3 LYS 12 1HE LYS 12 0.904 9.050 2.724
110 HZ1 LYS 12 3HZ LYS 12 -1.111 10.113 1.759
111 HZ2 LYS 12 1HZ LYS 12 -0.279 11.084 2.874
112 HZ3 LYS 12 2HZ LYS 12 -1.714 10.300 3.336
113 H ILE 13 H ILE 13 0.287 2.573 1.550
114 HA ILE 13 HA ILE 13 2.812 2.196 2.647
115 HB ILE 13 HB ILE 13 0.845 0.508 1.167
116 HG12 ILE 13 2HG1 ILE 13 1.149 -0.838 3.342
117 HG13 ILE 13 1HG1 ILE 13 2.061 0.551 3.929
118 HG21 ILE 13 1HG2 ILE 13 2.789 -0.426 0.249
119 HG22 ILE 13 2HG2 ILE 13 2.469 -1.433 1.661
120 HG23 ILE 13 3HG2 ILE 13 3.710 -0.182 1.733
121 HD11 ILE 13 3HD1 ILE 13 -0.807 0.571 2.959
122 HD12 ILE 13 1HD1 ILE 13 0.098 2.001 3.456
123 HD13 ILE 13 2HD1 ILE 13 -0.271 0.739 4.629
124 H GLY 14 H GLY 14 1.692 1.864 -0.719
125 HA2 GLY 14 2HA GLY 14 4.018 1.117 -1.950
126 HA3 GLY 14 1HA GLY 14 2.825 2.168 -2.710
127 H LYS 15 H LYS 15 3.149 4.323 -0.767
128 HA LYS 15 HA LYS 15 5.339 5.654 -2.022
129 HB2 LYS 15 2HB LYS 15 3.253 6.332 -0.056
130 HB3 LYS 15 1HB LYS 15 4.781 7.162 0.230
131 HG2 LYS 15 2HG LYS 15 3.408 8.519 -1.255
132 HG3 LYS 15 1HG LYS 15 4.781 7.891 -2.164
133 HD2 LYS 15 2HD LYS 15 3.446 6.235 -3.237
134 HD3 LYS 15 1HD LYS 15 2.113 6.471 -2.105
135 HE2 LYS 15 2HE LYS 15 3.097 8.493 -4.142
136 HE3 LYS 15 1HE LYS 15 1.603 7.562 -4.244
137 HZ1 LYS 15 3HZ LYS 15 2.310 9.688 -2.316
138 HZ2 LYS 15 1HZ LYS 15 1.053 8.592 -2.009
139 HZ3 LYS 15 2HZ LYS 15 0.976 9.614 -3.365
140 H GLU 16 H GLU 16 4.857 4.639 1.385
141 HA GLU 16 HA GLU 16 7.591 5.104 2.055
142 HB2 GLU 16 2HB GLU 16 7.115 4.114 4.143
143 HB3 GLU 16 1HB GLU 16 5.631 4.931 3.681
144 HG2 GLU 16 2HG GLU 16 4.838 2.724 2.753
145 HG3 GLU 16 1HG GLU 16 6.238 1.976 3.511
146 H PHE 17 H PHE 17 5.733 2.170 1.359
147 HA PHE 17 HA PHE 17 7.729 0.283 1.563
148 HB2 PHE 17 2HB PHE 17 5.802 -0.789 1.077
149 HB3 PHE 17 1HB PHE 17 5.222 0.522 0.068
150 HD1 PHE 17 2HD PHE 17 6.291 0.804 -2.269
151 HD2 PHE 17 1HD PHE 17 6.654 -2.746 0.117
152 HE1 PHE 17 2HE PHE 17 6.862 -0.497 -4.294
153 HE2 PHE 17 1HE PHE 17 7.222 -4.052 -1.906
154 HZ PHE 17 HZ PHE 17 7.332 -2.930 -4.118
155 H LYS 18 H LYS 18 7.273 2.704 -0.956
156 HA LYS 18 HA LYS 18 9.174 1.530 -2.769
157 HB2 LYS 18 2HB LYS 18 7.398 3.139 -3.475
158 HB3 LYS 18 1HB LYS 18 8.248 4.408 -2.600
159 HG2 LYS 18 2HG LYS 18 9.107 4.699 -4.744
160 HG3 LYS 18 1HG LYS 18 10.308 3.608 -4.059
161 HD2 LYS 18 2HD LYS 18 9.152 1.680 -5.061
162 HD3 LYS 18 1HD LYS 18 7.918 2.755 -5.722
163 HE2 LYS 18 2HE LYS 18 9.623 3.915 -7.059
164 HE3 LYS 18 1HE LYS 18 10.878 2.883 -6.375
165 HZ1 LYS 18 3HZ LYS 18 8.729 2.190 -8.260
166 HZ2 LYS 18 1HZ LYS 18 9.371 0.992 -7.246
167 HZ3 LYS 18 2HZ LYS 18 10.384 1.816 -8.332
168 H ARG 19 H ARG 19 9.319 3.766 -0.069
169 HA ARG 19 HA ARG 19 12.101 4.457 -0.605
170 HB2 ARG 19 2HB ARG 19 10.356 5.209 1.748
171 HB3 ARG 19 1HB ARG 19 11.904 5.932 1.309
172 HG2 ARG 19 2HG ARG 19 10.814 6.471 -0.960
173 HG3 ARG 19 1HG ARG 19 9.282 6.091 -0.176
174 HD2 ARG 19 2HD ARG 19 10.514 7.776 1.652
175 HD3 ARG 19 1HD ARG 19 10.980 8.471 0.104
176 HE ARG 19 HE ARG 19 8.538 8.883 1.279
177 HH11 ARG 19 1HH2 ARG 19 9.611 7.404 -1.672
178 HH12 ARG 19 2HH2 ARG 19 8.129 7.707 -2.513
179 HH21 ARG 19 1HH1 ARG 19 6.611 9.283 0.171
180 HH22 ARG 19 2HH1 ARG 19 6.436 8.770 -1.474
181 H ILE 20 H ILE 20 10.321 2.199 1.383
182 HA ILE 20 HA ILE 20 12.550 1.768 3.188
183 HB ILE 20 HB ILE 20 11.139 0.477 4.451
184 HG12 ILE 20 2HG1 ILE 20 9.813 -0.409 1.869
185 HG13 ILE 20 1HG1 ILE 20 10.875 -1.370 2.897
186 HG21 ILE 20 1HG2 ILE 20 8.759 1.462 3.016
187 HG22 ILE 20 2HG2 ILE 20 9.941 2.712 3.386
188 HG23 ILE 20 3HG2 ILE 20 9.256 1.732 4.679
189 HD11 ILE 20 3HD1 ILE 20 8.135 -0.300 3.649
190 HD12 ILE 20 1HD1 ILE 20 9.219 -1.145 4.751
191 HD13 ILE 20 2HD1 ILE 20 8.559 -1.984 3.348
192 H VAL 21 H VAL 21 10.971 -0.059 0.576
193 HA VAL 21 HA VAL 21 13.060 -2.091 0.661
194 HB VAL 21 HB VAL 21 10.575 -2.535 0.224
195 HG11 VAL 21 1HG1 VAL 21 11.013 -2.143 -2.673
196 HG12 VAL 21 2HG1 VAL 21 10.864 -0.644 -1.758
197 HG13 VAL 21 3HG1 VAL 21 9.574 -1.842 -1.700
198 HG21 VAL 21 3HG2 VAL 21 12.660 -3.569 -1.723
199 HG22 VAL 21 1HG2 VAL 21 11.115 -4.347 -1.379
200 HG23 VAL 21 2HG2 VAL 21 12.337 -4.215 -0.114
201 H GLN 22 H GLN 22 14.312 0.224 0.146
202 HA GLN 22 HA GLN 22 14.504 0.989 -2.566
203 HB2 GLN 22 2HB GLN 22 16.798 1.147 -0.620
204 HB3 GLN 22 1HB GLN 22 16.383 2.256 -1.928
205 HG2 GLN 22 2HG GLN 22 14.194 2.681 -0.647
206 HG3 GLN 22 1HG GLN 22 14.974 1.881 0.716
207 HE21 GLN 22 1HE2 GLN 22 17.435 3.350 -1.002
208 HE22 GLN 22 2HE2 GLN 22 17.505 4.824 -0.163
209 H ARG 23 H ARG 23 14.410 -1.356 -3.340
210 HA ARG 23 HA ARG 23 17.154 -2.194 -3.966
211 HB2 ARG 23 2HB ARG 23 15.118 -4.281 -3.231
212 HB3 ARG 23 1HB ARG 23 16.876 -4.416 -3.290
213 HG2 ARG 23 2HG ARG 23 16.968 -2.753 -1.383
214 HG3 ARG 23 1HG ARG 23 15.218 -2.919 -1.248
215 HD2 ARG 23 2HD ARG 23 15.659 -5.459 -1.108
216 HD3 ARG 23 1HD ARG 23 17.337 -5.018 -0.796
217 HE ARG 23 HE ARG 23 15.933 -3.511 0.997
218 HH11 ARG 23 1HH2 ARG 23 16.050 -6.865 0.149
219 HH12 ARG 23 2HH2 ARG 23 15.653 -7.422 1.741
220 HH21 ARG 23 1HH1 ARG 23 15.411 -4.234 3.081
221 HH22 ARG 23 2HH1 ARG 23 15.292 -5.932 3.401
Start of MODEL 18
1 H1 LEU 1 1HT LEU 1 -18.296 1.627 2.109
2 H2 LEU 1 2HT LEU 1 -17.631 1.481 0.553
3 H3 LEU 1 3HT LEU 1 -16.721 2.181 1.806
4 HA LEU 1 HA LEU 1 -17.420 -0.279 2.781
5 HB2 LEU 1 2HB LEU 1 -16.828 -0.318 -0.176
6 HB3 LEU 1 1HB LEU 1 -16.400 -1.687 0.850
7 HG LEU 1 HG LEU 1 -18.752 -1.836 1.614
8 HD11 LEU 1 2HD1 LEU 1 -19.041 0.521 -0.251
9 HD12 LEU 1 3HD1 LEU 1 -19.563 0.383 1.427
10 HD13 LEU 1 1HD1 LEU 1 -20.418 -0.500 0.163
11 HD21 LEU 1 1HD2 LEU 1 -18.121 -3.216 -0.272
12 HD22 LEU 1 2HD2 LEU 1 -18.292 -1.857 -1.383
13 HD23 LEU 1 3HD2 LEU 1 -19.718 -2.547 -0.609
14 H LEU 2 H LEU 2 -15.651 -0.935 3.880
15 HA LEU 2 HA LEU 2 -13.442 0.533 4.366
16 HB2 LEU 2 2HB LEU 2 -14.035 -1.605 5.491
17 HB3 LEU 2 1HB LEU 2 -13.325 -2.460 4.125
18 HG LEU 2 HG LEU 2 -11.278 -0.911 4.527
19 HD11 LEU 2 1HD1 LEU 2 -12.200 0.576 6.197
20 HD12 LEU 2 2HD1 LEU 2 -10.998 -0.430 6.999
21 HD13 LEU 2 3HD1 LEU 2 -12.714 -0.783 7.194
22 HD21 LEU 2 3HD2 LEU 2 -12.026 -3.190 6.346
23 HD22 LEU 2 1HD2 LEU 2 -10.400 -2.516 6.231
24 HD23 LEU 2 2HD2 LEU 2 -11.141 -3.279 4.822
25 H GLY 3 H GLY 3 -13.682 -1.897 1.849
26 HA2 GLY 3 2HA GLY 3 -11.249 -2.154 0.791
27 HA3 GLY 3 1HA GLY 3 -12.637 -1.902 -0.263
28 H ASP 4 H ASP 4 -13.154 0.820 0.630
29 HA ASP 4 HA ASP 4 -11.381 2.216 -1.127
30 HB2 ASP 4 2HB ASP 4 -12.650 4.162 -0.600
31 HB3 ASP 4 1HB ASP 4 -13.800 2.827 -0.610
32 H PHE 5 H PHE 5 -11.724 1.957 2.375
33 HA PHE 5 HA PHE 5 -9.869 3.857 3.220
34 HB2 PHE 5 2HB PHE 5 -10.947 3.001 5.042
35 HB3 PHE 5 1HB PHE 5 -11.086 1.399 4.343
36 HD1 PHE 5 2HD PHE 5 -9.175 -0.209 4.474
37 HD2 PHE 5 1HD PHE 5 -9.079 3.621 6.415
38 HE1 PHE 5 2HE PHE 5 -7.264 -0.956 5.861
39 HE2 PHE 5 1HE PHE 5 -7.166 2.872 7.802
40 HZ PHE 5 HZ PHE 5 -6.258 0.581 7.525
41 H PHE 6 H PHE 6 -9.363 0.407 2.527
42 HA PHE 6 HA PHE 6 -6.616 0.323 3.036
43 HB2 PHE 6 2HB PHE 6 -8.552 -1.340 1.522
44 HB3 PHE 6 1HB PHE 6 -6.854 -1.551 1.099
45 HD1 PHE 6 1HD PHE 6 -5.235 -1.547 3.279
46 HD2 PHE 6 2HD PHE 6 -9.366 -2.721 3.209
47 HE1 PHE 6 1HE PHE 6 -4.884 -2.903 5.326
48 HE2 PHE 6 2HE PHE 6 -9.013 -4.080 5.254
49 HZ PHE 6 HZ PHE 6 -6.779 -4.166 6.316
50 H ARG 7 H ARG 7 -8.307 0.925 -0.053
51 HA ARG 7 HA ARG 7 -6.102 1.131 -1.715
52 HB2 ARG 7 2HB ARG 7 -8.835 2.315 -1.706
53 HB3 ARG 7 1HB ARG 7 -7.652 3.058 -2.783
54 HG2 ARG 7 2HG ARG 7 -7.175 0.883 -3.804
55 HG3 ARG 7 1HG ARG 7 -8.300 0.096 -2.697
56 HD2 ARG 7 2HD ARG 7 -9.882 2.068 -3.759
57 HD3 ARG 7 1HD ARG 7 -8.852 1.683 -5.132
58 HE ARG 7 HE ARG 7 -11.033 0.188 -4.413
59 HH11 ARG 7 1HH2 ARG 7 -7.620 -0.405 -4.620
60 HH12 ARG 7 2HH2 ARG 7 -7.800 -2.107 -4.866
61 HH21 ARG 7 1HH1 ARG 7 -11.260 -2.035 -4.747
62 HH22 ARG 7 2HH1 ARG 7 -9.854 -3.028 -4.942
63 H LYS 8 H LYS 8 -7.442 3.522 0.513
64 HA LYS 8 HA LYS 8 -5.678 5.634 -0.268
65 HB2 LYS 8 2HB LYS 8 -7.550 5.143 2.023
66 HB3 LYS 8 1HB LYS 8 -6.374 6.453 2.143
67 HG2 LYS 8 2HG LYS 8 -7.242 7.551 0.218
68 HG3 LYS 8 1HG LYS 8 -8.177 6.135 -0.261
69 HD2 LYS 8 2HD LYS 8 -9.781 6.459 1.414
70 HD3 LYS 8 1HD LYS 8 -8.695 7.436 2.402
71 HE2 LYS 8 2HE LYS 8 -9.624 8.360 -0.319
72 HE3 LYS 8 1HE LYS 8 -10.557 8.688 1.142
73 HZ1 LYS 8 3HZ LYS 8 -7.705 9.419 0.752
74 HZ2 LYS 8 1HZ LYS 8 -8.669 9.806 2.092
75 HZ3 LYS 8 2HZ LYS 8 -9.012 10.490 0.575
76 H SER 9 H SER 9 -5.685 3.247 2.369
77 HA SER 9 HA SER 9 -3.222 4.166 3.504
78 HB2 SER 9 2HB SER 9 -4.420 1.416 3.835
79 HB3 SER 9 1HB SER 9 -3.379 2.289 4.956
80 HG SER 9 HG SER 9 -5.266 2.822 5.771
81 H LYS 10 H LYS 10 -4.083 1.310 1.525
82 HA LYS 10 HA LYS 10 -1.557 0.200 1.270
83 HB2 LYS 10 2HB LYS 10 -3.980 0.246 -0.499
84 HB3 LYS 10 1HB LYS 10 -2.480 -0.431 -1.130
85 HG2 LYS 10 2HG LYS 10 -2.475 -1.744 1.178
86 HG3 LYS 10 1HG LYS 10 -4.204 -1.407 1.128
87 HD2 LYS 10 2HD LYS 10 -2.635 -2.748 -1.096
88 HD3 LYS 10 1HD LYS 10 -3.637 -3.593 0.083
89 HE2 LYS 10 2HE LYS 10 -5.607 -2.298 -0.683
90 HE3 LYS 10 1HE LYS 10 -4.600 -1.501 -1.889
91 HZ1 LYS 10 3HZ LYS 10 -4.219 -4.269 -2.090
92 HZ2 LYS 10 1HZ LYS 10 -4.895 -3.214 -3.233
93 HZ3 LYS 10 2HZ LYS 10 -5.892 -3.968 -2.081
94 H GLU 11 H GLU 11 -2.958 2.997 -0.313
95 HA GLU 11 HA GLU 11 -0.918 3.327 -2.282
96 HB2 GLU 11 2HB GLU 11 -3.058 5.082 -1.113
97 HB3 GLU 11 1HB GLU 11 -1.800 5.802 -2.118
98 HG2 GLU 11 2HG GLU 11 -2.409 4.522 -4.007
99 HG3 GLU 11 1HG GLU 11 -3.323 3.367 -3.041
100 H LYS 12 H LYS 12 -1.446 4.606 0.984
101 HA LYS 12 HA LYS 12 0.805 6.305 1.086
102 HB2 LYS 12 2HB LYS 12 -0.748 4.858 3.238
103 HB3 LYS 12 1HB LYS 12 0.588 5.950 3.601
104 HG2 LYS 12 2HG LYS 12 -0.588 7.738 2.296
105 HG3 LYS 12 1HG LYS 12 -1.961 6.646 2.115
106 HD2 LYS 12 2HD LYS 12 -2.001 6.458 4.650
107 HD3 LYS 12 1HD LYS 12 -0.839 7.783 4.686
108 HE2 LYS 12 2HE LYS 12 -2.912 8.880 4.890
109 HE3 LYS 12 1HE LYS 12 -2.543 9.032 3.171
110 HZ1 LYS 12 3HZ LYS 12 -4.814 7.971 4.227
111 HZ2 LYS 12 1HZ LYS 12 -3.914 6.597 3.804
112 HZ3 LYS 12 2HZ LYS 12 -4.275 7.769 2.629
113 H ILE 13 H ILE 13 0.376 2.869 1.873
114 HA ILE 13 HA ILE 13 2.995 2.443 2.860
115 HB ILE 13 HB ILE 13 0.789 0.688 1.802
116 HG12 ILE 13 2HG1 ILE 13 1.120 -0.236 4.208
117 HG13 ILE 13 1HG1 ILE 13 2.056 1.230 4.490
118 HG21 ILE 13 1HG2 ILE 13 3.572 -0.132 2.621
119 HG22 ILE 13 2HG2 ILE 13 2.784 -0.430 1.070
120 HG23 ILE 13 3HG2 ILE 13 2.216 -1.251 2.522
121 HD11 ILE 13 3HD1 ILE 13 -0.803 1.148 3.487
122 HD12 ILE 13 1HD1 ILE 13 0.127 2.603 3.844
123 HD13 ILE 13 2HD1 ILE 13 -0.320 1.502 5.145
124 H GLY 14 H GLY 14 1.468 2.264 -0.319
125 HA2 GLY 14 2HA GLY 14 3.400 0.964 -1.802
126 HA3 GLY 14 1HA GLY 14 2.388 2.261 -2.433
127 H LYS 15 H LYS 15 3.198 4.463 -1.140
128 HA LYS 15 HA LYS 15 5.629 5.135 -2.424
129 HB2 LYS 15 2HB LYS 15 3.827 6.457 -0.434
130 HB3 LYS 15 1HB LYS 15 5.437 7.132 -0.682
131 HG2 LYS 15 2HG LYS 15 3.771 8.182 -2.184
132 HG3 LYS 15 1HG LYS 15 5.008 7.314 -3.096
133 HD2 LYS 15 2HD LYS 15 3.535 5.435 -3.442
134 HD3 LYS 15 1HD LYS 15 2.333 6.108 -2.341
135 HE2 LYS 15 2HE LYS 15 3.220 7.365 -4.955
136 HE3 LYS 15 1HE LYS 15 1.701 6.508 -4.695
137 HZ1 LYS 15 3HZ LYS 15 1.437 8.197 -2.771
138 HZ2 LYS 15 1HZ LYS 15 1.089 8.681 -4.359
139 HZ3 LYS 15 2HZ LYS 15 2.568 9.114 -3.644
140 H GLU 16 H GLU 16 4.914 4.790 1.060
141 HA GLU 16 HA GLU 16 7.577 4.990 1.941
142 HB2 GLU 16 2HB GLU 16 5.178 3.596 3.145
143 HB3 GLU 16 1HB GLU 16 6.720 3.771 3.980
144 HG2 GLU 16 2HG GLU 16 6.548 6.257 3.624
145 HG3 GLU 16 1HG GLU 16 4.923 6.001 2.990
146 H PHE 17 H PHE 17 5.602 2.178 1.060
147 HA PHE 17 HA PHE 17 7.420 0.156 1.714
148 HB2 PHE 17 2HB PHE 17 5.111 -0.302 1.101
149 HB3 PHE 17 1HB PHE 17 5.407 0.261 -0.540
150 HD1 PHE 17 2HD PHE 17 6.070 -2.378 1.928
151 HD2 PHE 17 1HD PHE 17 6.659 -1.091 -2.124
152 HE1 PHE 17 2HE PHE 17 6.813 -4.659 1.320
153 HE2 PHE 17 1HE PHE 17 7.400 -3.375 -2.739
154 HZ PHE 17 HZ PHE 17 7.483 -5.162 -1.018
155 H LYS 18 H LYS 18 7.226 2.245 -1.124
156 HA LYS 18 HA LYS 18 9.116 0.752 -2.659
157 HB2 LYS 18 2HB LYS 18 7.333 2.675 -3.286
158 HB3 LYS 18 1HB LYS 18 8.795 3.655 -3.201
159 HG2 LYS 18 2HG LYS 18 8.863 2.955 -5.422
160 HG3 LYS 18 1HG LYS 18 9.826 1.696 -4.650
161 HD2 LYS 18 2HD LYS 18 7.799 0.268 -4.491
162 HD3 LYS 18 1HD LYS 18 6.872 1.519 -5.319
163 HE2 LYS 18 2HE LYS 18 8.157 1.276 -7.323
164 HE3 LYS 18 1HE LYS 18 9.363 0.281 -6.506
165 HZ1 LYS 18 3HZ LYS 18 7.531 -1.342 -6.083
166 HZ2 LYS 18 1HZ LYS 18 7.966 -1.171 -7.712
167 HZ3 LYS 18 2HZ LYS 18 6.554 -0.428 -7.130
168 H ARG 19 H ARG 19 9.435 3.951 -1.057
169 HA ARG 19 HA ARG 19 12.203 4.164 -1.447
170 HB2 ARG 19 2HB ARG 19 12.165 5.970 0.077
171 HB3 ARG 19 1HB ARG 19 10.570 5.977 -0.670
172 HG2 ARG 19 2HG ARG 19 9.782 4.571 1.304
173 HG3 ARG 19 1HG ARG 19 11.323 4.947 2.072
174 HD2 ARG 19 2HD ARG 19 10.740 7.418 1.548
175 HD3 ARG 19 1HD ARG 19 9.097 6.829 1.308
176 HE ARG 19 HE ARG 19 9.803 5.800 3.739
177 HH11 ARG 19 1HH2 ARG 19 9.820 8.940 2.286
178 HH12 ARG 19 2HH2 ARG 19 9.551 9.782 3.774
179 HH21 ARG 19 1HH1 ARG 19 9.448 6.900 5.697
180 HH22 ARG 19 2HH1 ARG 19 9.340 8.628 5.705
181 H ILE 20 H ILE 20 10.419 2.935 1.399
182 HA ILE 20 HA ILE 20 12.659 2.304 2.940
183 HB ILE 20 HB ILE 20 10.073 2.309 3.464
184 HG12 ILE 20 2HG1 ILE 20 12.040 0.379 4.718
185 HG13 ILE 20 1HG1 ILE 20 11.855 2.090 5.107
186 HG21 ILE 20 1HG2 ILE 20 9.049 0.153 3.518
187 HG22 ILE 20 2HG2 ILE 20 10.556 -0.647 3.076
188 HG23 ILE 20 3HG2 ILE 20 9.707 0.350 1.896
189 HD11 ILE 20 3HD1 ILE 20 9.868 -0.139 5.575
190 HD12 ILE 20 1HD1 ILE 20 9.415 1.564 5.652
191 HD13 ILE 20 2HD1 ILE 20 10.610 0.917 6.776
192 H VAL 21 H VAL 21 10.914 0.399 0.498
193 HA VAL 21 HA VAL 21 12.948 -1.729 0.715
194 HB VAL 21 HB VAL 21 10.375 -1.716 -0.888
195 HG11 VAL 21 1HG1 VAL 21 11.844 -3.288 -1.864
196 HG12 VAL 21 2HG1 VAL 21 10.855 -4.246 -0.763
197 HG13 VAL 21 3HG1 VAL 21 12.492 -3.782 -0.300
198 HG21 VAL 21 3HG2 VAL 21 11.029 -2.565 1.921
199 HG22 VAL 21 1HG2 VAL 21 9.844 -3.493 1.003
200 HG23 VAL 21 2HG2 VAL 21 9.574 -1.780 1.305
201 H GLN 22 H GLN 22 14.429 -0.024 -0.228
202 HA GLN 22 HA GLN 22 14.361 1.185 -2.638
203 HB2 GLN 22 2HB GLN 22 16.876 0.339 -2.815
204 HB3 GLN 22 1HB GLN 22 16.384 1.499 -1.580
205 HG2 GLN 22 2HG GLN 22 16.285 -0.160 0.105
206 HG3 GLN 22 1HG GLN 22 16.294 -1.473 -1.071
207 HE21 GLN 22 1HE2 GLN 22 18.212 -1.629 0.911
208 HE22 GLN 22 2HE2 GLN 22 19.743 -1.242 0.289
209 H ARG 23 H ARG 23 12.928 -0.012 -3.996
210 HA ARG 23 HA ARG 23 12.319 -1.770 -5.427
211 HB2 ARG 23 2HB ARG 23 14.941 -0.672 -6.455
212 HB3 ARG 23 1HB ARG 23 13.870 -1.705 -7.404
213 HG2 ARG 23 2HG ARG 23 12.055 -0.088 -7.194
214 HG3 ARG 23 1HG ARG 23 13.042 0.924 -6.139
215 HD2 ARG 23 2HD ARG 23 13.270 1.945 -8.248
216 HD3 ARG 23 1HD ARG 23 14.731 0.970 -8.103
217 HE ARG 23 HE ARG 23 12.969 -0.702 -9.351
218 HH11 ARG 23 1HH2 ARG 23 14.098 2.528 -9.875
219 HH12 ARG 23 2HH2 ARG 23 13.938 2.453 -11.598
220 HH21 ARG 23 1HH1 ARG 23 12.758 -0.808 -11.612
221 HH22 ARG 23 2HH1 ARG 23 13.181 0.564 -12.582
Start of MODEL 19
1 H1 LEU 1 1HT LEU 1 -16.707 1.403 3.751
2 H2 LEU 1 2HT LEU 1 -18.103 0.437 3.804
3 H3 LEU 1 3HT LEU 1 -17.601 1.130 2.337
4 HA LEU 1 HA LEU 1 -16.764 -1.307 3.589
5 HB2 LEU 1 2HB LEU 1 -16.181 -0.183 0.837
6 HB3 LEU 1 1HB LEU 1 -16.199 -1.879 1.318
7 HG LEU 1 HG LEU 1 -18.609 -0.038 1.382
8 HD11 LEU 1 2HD1 LEU 1 -17.896 -0.537 -0.919
9 HD12 LEU 1 3HD1 LEU 1 -19.390 -1.393 -0.538
10 HD13 LEU 1 1HD1 LEU 1 -17.854 -2.259 -0.542
11 HD21 LEU 1 1HD2 LEU 1 -19.737 -2.375 1.574
12 HD22 LEU 1 2HD2 LEU 1 -18.972 -1.707 3.014
13 HD23 LEU 1 3HD2 LEU 1 -18.141 -2.941 2.067
14 H LEU 2 H LEU 2 -14.792 -1.833 4.314
15 HA LEU 2 HA LEU 2 -12.792 0.095 4.778
16 HB2 LEU 2 2HB LEU 2 -13.085 -2.030 6.052
17 HB3 LEU 2 1HB LEU 2 -12.393 -2.884 4.675
18 HG LEU 2 HG LEU 2 -10.518 -1.055 4.861
19 HD11 LEU 2 1HD1 LEU 2 -10.117 -0.197 7.048
20 HD12 LEU 2 2HD1 LEU 2 -11.325 -1.260 7.769
21 HD13 LEU 2 3HD1 LEU 2 -11.831 0.092 6.759
22 HD21 LEU 2 3HD2 LEU 2 -10.745 -3.358 6.792
23 HD22 LEU 2 1HD2 LEU 2 -9.248 -2.543 6.340
24 HD23 LEU 2 2HD2 LEU 2 -10.162 -3.445 5.130
25 H GLY 3 H GLY 3 -12.961 -2.515 2.433
26 HA2 GLY 3 2HA GLY 3 -10.607 -2.558 1.180
27 HA3 GLY 3 1HA GLY 3 -12.098 -2.545 0.240
28 H ASP 4 H ASP 4 -12.876 0.145 1.012
29 HA ASP 4 HA ASP 4 -11.447 1.631 -0.969
30 HB2 ASP 4 2HB ASP 4 -13.863 1.991 -0.264
31 HB3 ASP 4 1HB ASP 4 -13.235 2.763 1.191
32 H PHE 5 H PHE 5 -11.466 1.563 2.567
33 HA PHE 5 HA PHE 5 -9.774 3.704 3.131
34 HB2 PHE 5 2HB PHE 5 -10.554 2.855 5.099
35 HB3 PHE 5 1HB PHE 5 -10.606 1.213 4.495
36 HD1 PHE 5 2HD PHE 5 -8.516 -0.187 4.467
37 HD2 PHE 5 1HD PHE 5 -8.654 3.708 6.272
38 HE1 PHE 5 2HE PHE 5 -6.411 -0.669 5.681
39 HE2 PHE 5 1HE PHE 5 -6.547 3.223 7.485
40 HZ PHE 5 HZ PHE 5 -5.426 1.032 7.189
41 H PHE 6 H PHE 6 -8.961 0.304 2.530
42 HA PHE 6 HA PHE 6 -6.190 0.507 2.786
43 HB2 PHE 6 2HB PHE 6 -8.071 -1.380 1.474
44 HB3 PHE 6 1HB PHE 6 -6.398 -1.438 0.920
45 HD1 PHE 6 1HD PHE 6 -4.637 -1.183 3.003
46 HD2 PHE 6 2HD PHE 6 -8.600 -2.832 3.211
47 HE1 PHE 6 1HE PHE 6 -3.999 -2.462 5.030
48 HE2 PHE 6 2HE PHE 6 -7.958 -4.112 5.238
49 HZ PHE 6 HZ PHE 6 -5.662 -3.924 6.149
50 H ARG 7 H ARG 7 -8.232 0.958 -0.102
51 HA ARG 7 HA ARG 7 -6.237 1.254 -1.997
52 HB2 ARG 7 2HB ARG 7 -7.974 1.778 -3.339
53 HB3 ARG 7 1HB ARG 7 -8.997 1.631 -1.915
54 HG2 ARG 7 2HG ARG 7 -8.714 4.030 -1.443
55 HG3 ARG 7 1HG ARG 7 -7.650 4.192 -2.840
56 HD2 ARG 7 2HD ARG 7 -10.374 4.592 -2.891
57 HD3 ARG 7 1HD ARG 7 -9.384 4.230 -4.302
58 HE ARG 7 HE ARG 7 -9.999 1.763 -3.322
59 HH11 ARG 7 1HH2 ARG 7 -11.804 4.598 -4.145
60 HH12 ARG 7 2HH2 ARG 7 -13.224 3.725 -4.618
61 HH21 ARG 7 1HH1 ARG 7 -11.856 0.611 -3.940
62 HH22 ARG 7 2HH1 ARG 7 -13.253 1.467 -4.503
63 H LYS 8 H LYS 8 -7.569 3.730 0.184
64 HA LYS 8 HA LYS 8 -5.822 5.796 -0.766
65 HB2 LYS 8 2HB LYS 8 -8.004 6.241 0.348
66 HB3 LYS 8 1HB LYS 8 -7.328 5.631 1.857
67 HG2 LYS 8 2HG LYS 8 -5.665 7.689 0.532
68 HG3 LYS 8 1HG LYS 8 -7.241 8.267 1.067
69 HD2 LYS 8 2HD LYS 8 -6.818 7.525 3.331
70 HD3 LYS 8 1HD LYS 8 -5.324 6.727 2.840
71 HE2 LYS 8 2HE LYS 8 -4.276 8.830 2.326
72 HE3 LYS 8 1HE LYS 8 -5.799 9.700 2.511
73 HZ1 LYS 8 3HZ LYS 8 -3.905 9.012 4.487
74 HZ2 LYS 8 1HZ LYS 8 -5.391 8.284 4.860
75 HZ3 LYS 8 2HZ LYS 8 -5.304 9.967 4.636
76 H SER 9 H SER 9 -5.774 3.490 1.909
77 HA SER 9 HA SER 9 -3.414 4.560 3.131
78 HB2 SER 9 2HB SER 9 -4.327 1.720 3.474
79 HB3 SER 9 1HB SER 9 -3.583 2.795 4.652
80 HG SER 9 HG SER 9 -5.647 2.954 5.197
81 H LYS 10 H LYS 10 -4.045 1.684 1.103
82 HA LYS 10 HA LYS 10 -1.460 0.690 0.965
83 HB2 LYS 10 2HB LYS 10 -3.800 0.624 -0.912
84 HB3 LYS 10 1HB LYS 10 -2.241 0.027 -1.477
85 HG2 LYS 10 2HG LYS 10 -2.199 -1.363 0.705
86 HG3 LYS 10 1HG LYS 10 -3.917 -0.984 0.821
87 HD2 LYS 10 2HD LYS 10 -2.552 -2.355 -1.515
88 HD3 LYS 10 1HD LYS 10 -3.594 -3.132 -0.324
89 HE2 LYS 10 2HE LYS 10 -5.171 -2.732 -1.958
90 HE3 LYS 10 1HE LYS 10 -5.274 -1.189 -1.111
91 HZ1 LYS 10 3HZ LYS 10 -4.662 -1.556 -3.751
92 HZ2 LYS 10 1HZ LYS 10 -3.165 -1.213 -3.030
93 HZ3 LYS 10 2HZ LYS 10 -4.457 -0.124 -2.860
94 H GLU 11 H GLU 11 -2.950 3.337 -0.850
95 HA GLU 11 HA GLU 11 -0.830 3.777 -2.667
96 HB2 GLU 11 2HB GLU 11 -3.000 5.535 -1.539
97 HB3 GLU 11 1HB GLU 11 -1.769 6.194 -2.616
98 HG2 GLU 11 2HG GLU 11 -2.396 4.720 -4.390
99 HG3 GLU 11 1HG GLU 11 -3.395 3.742 -3.316
100 H LYS 12 H LYS 12 -1.578 5.361 0.448
101 HA LYS 12 HA LYS 12 0.708 6.968 0.606
102 HB2 LYS 12 2HB LYS 12 -1.050 5.709 2.711
103 HB3 LYS 12 1HB LYS 12 0.328 6.721 3.144
104 HG2 LYS 12 2HG LYS 12 -1.625 7.752 1.110
105 HG3 LYS 12 1HG LYS 12 -2.080 7.791 2.813
106 HD2 LYS 12 2HD LYS 12 0.026 9.016 3.323
107 HD3 LYS 12 1HD LYS 12 0.408 9.034 1.601
108 HE2 LYS 12 2HE LYS 12 -2.059 10.260 2.870
109 HE3 LYS 12 1HE LYS 12 -0.653 11.152 2.288
110 HZ1 LYS 12 3HZ LYS 12 -1.064 10.286 0.071
111 HZ2 LYS 12 1HZ LYS 12 -2.420 11.128 0.645
112 HZ3 LYS 12 2HZ LYS 12 -2.419 9.429 0.634
113 H ILE 13 H ILE 13 0.152 3.671 1.843
114 HA ILE 13 HA ILE 13 2.706 3.267 2.920
115 HB ILE 13 HB ILE 13 0.448 1.529 1.993
116 HG12 ILE 13 2HG1 ILE 13 0.855 0.713 4.443
117 HG13 ILE 13 1HG1 ILE 13 1.833 2.171 4.593
118 HG21 ILE 13 1HG2 ILE 13 3.220 0.593 2.720
119 HG22 ILE 13 2HG2 ILE 13 2.322 0.247 1.240
120 HG23 ILE 13 3HG2 ILE 13 1.801 -0.451 2.772
121 HD11 ILE 13 3HD1 ILE 13 -0.435 2.666 5.317
122 HD12 ILE 13 1HD1 ILE 13 -1.090 2.033 3.808
123 HD13 ILE 13 2HD1 ILE 13 -0.125 3.509 3.800
124 H GLY 14 H GLY 14 1.407 2.977 -0.333
125 HA2 GLY 14 2HA GLY 14 3.324 1.412 -1.573
126 HA3 GLY 14 1HA GLY 14 2.496 2.759 -2.359
127 H LYS 15 H LYS 15 3.300 4.937 -1.216
128 HA LYS 15 HA LYS 15 5.836 5.486 -2.203
129 HB2 LYS 15 2HB LYS 15 4.684 6.928 0.168
130 HB3 LYS 15 1HB LYS 15 5.571 7.592 -1.205
131 HG2 LYS 15 2HG LYS 15 2.762 6.454 -1.256
132 HG3 LYS 15 1HG LYS 15 3.207 8.147 -1.421
133 HD2 LYS 15 2HD LYS 15 3.083 7.665 -3.648
134 HD3 LYS 15 1HD LYS 15 4.735 7.126 -3.395
135 HE2 LYS 15 2HE LYS 15 4.169 4.900 -3.610
136 HE3 LYS 15 1HE LYS 15 2.566 5.127 -2.914
137 HZ1 LYS 15 3HZ LYS 15 2.261 4.705 -5.192
138 HZ2 LYS 15 1HZ LYS 15 3.469 5.805 -5.649
139 HZ3 LYS 15 2HZ LYS 15 2.007 6.373 -4.995
140 H GLU 16 H GLU 16 4.890 4.972 1.189
141 HA GLU 16 HA GLU 16 7.525 5.053 2.222
142 HB2 GLU 16 2HB GLU 16 4.933 3.912 3.247
143 HB3 GLU 16 1HB GLU 16 6.435 3.741 4.156
144 HG2 GLU 16 2HG GLU 16 5.090 5.757 4.814
145 HG3 GLU 16 1HG GLU 16 6.717 6.144 4.258
146 H PHE 17 H PHE 17 5.440 2.239 1.461
147 HA PHE 17 HA PHE 17 7.478 0.363 2.055
148 HB2 PHE 17 2HB PHE 17 5.660 -0.920 2.049
149 HB3 PHE 17 1HB PHE 17 4.752 0.313 1.203
150 HD1 PHE 17 1HD PHE 17 5.399 0.530 -1.405
151 HD2 PHE 17 2HD PHE 17 5.897 -2.977 1.014
152 HE1 PHE 17 1HE PHE 17 5.355 -0.872 -3.439
153 HE2 PHE 17 2HE PHE 17 5.861 -4.385 -1.020
154 HZ PHE 17 HZ PHE 17 5.592 -3.336 -3.253
155 H LYS 18 H LYS 18 6.933 2.355 -0.711
156 HA LYS 18 HA LYS 18 8.329 0.667 -2.581
157 HB2 LYS 18 2HB LYS 18 6.726 2.442 -3.290
158 HB3 LYS 18 1HB LYS 18 7.855 3.660 -2.702
159 HG2 LYS 18 2HG LYS 18 8.459 3.572 -4.943
160 HG3 LYS 18 1HG LYS 18 9.556 2.364 -4.285
161 HD2 LYS 18 2HD LYS 18 7.722 0.643 -4.794
162 HD3 LYS 18 1HD LYS 18 6.951 1.912 -5.746
163 HE2 LYS 18 2HE LYS 18 9.207 2.172 -6.938
164 HE3 LYS 18 1HE LYS 18 9.662 0.648 -6.178
165 HZ1 LYS 18 3HZ LYS 18 7.899 1.133 -8.385
166 HZ2 LYS 18 1HZ LYS 18 7.197 0.146 -7.198
167 HZ3 LYS 18 2HZ LYS 18 8.673 -0.304 -7.910
168 H ARG 19 H ARG 19 9.234 3.033 -0.174
169 HA ARG 19 HA ARG 19 11.974 3.146 -1.205
170 HB2 ARG 19 2HB ARG 19 12.260 5.091 -0.018
171 HB3 ARG 19 1HB ARG 19 10.517 5.146 -0.261
172 HG2 ARG 19 2HG ARG 19 10.322 3.933 1.979
173 HG3 ARG 19 1HG ARG 19 12.024 4.315 2.222
174 HD2 ARG 19 2HD ARG 19 11.002 6.742 1.425
175 HD3 ARG 19 1HD ARG 19 9.657 6.079 2.345
176 HE ARG 19 HE ARG 19 11.829 7.282 3.499
177 HH11 ARG 19 1HH2 ARG 19 10.480 4.087 3.582
178 HH12 ARG 19 2HH2 ARG 19 11.129 3.714 5.141
179 HH21 ARG 19 1HH1 ARG 19 12.666 6.791 5.538
180 HH22 ARG 19 2HH1 ARG 19 12.361 5.241 6.248
181 H ILE 20 H ILE 20 10.177 1.409 1.176
182 HA ILE 20 HA ILE 20 12.579 0.843 2.765
183 HB ILE 20 HB ILE 20 11.220 -0.031 4.399
184 HG12 ILE 20 2HG1 ILE 20 9.324 -0.880 2.191
185 HG13 ILE 20 1HG1 ILE 20 10.326 -1.922 3.200
186 HG21 ILE 20 1HG2 ILE 20 8.857 1.306 3.228
187 HG22 ILE 20 2HG2 ILE 20 10.303 2.298 3.345
188 HG23 ILE 20 3HG2 ILE 20 9.628 1.552 4.786
189 HD11 ILE 20 3HD1 ILE 20 9.057 -1.075 5.204
190 HD12 ILE 20 1HD1 ILE 20 8.073 -2.002 4.074
191 HD13 ILE 20 2HD1 ILE 20 7.966 -0.243 4.100
192 H VAL 21 H VAL 21 10.278 -0.814 0.667
193 HA VAL 21 HA VAL 21 11.748 -3.305 0.728
194 HB VAL 21 HB VAL 21 9.199 -2.956 0.405
195 HG11 VAL 21 1HG1 VAL 21 8.391 -2.322 -1.664
196 HG12 VAL 21 2HG1 VAL 21 9.807 -2.921 -2.524
197 HG13 VAL 21 3HG1 VAL 21 9.885 -1.386 -1.661
198 HG21 VAL 21 3HG2 VAL 21 9.205 -4.934 -1.291
199 HG22 VAL 21 1HG2 VAL 21 9.995 -5.170 0.267
200 HG23 VAL 21 2HG2 VAL 21 10.960 -4.835 -1.168
201 H GLN 22 H GLN 22 13.107 -0.857 -0.226
202 HA GLN 22 HA GLN 22 13.409 -0.654 -2.958
203 HB2 GLN 22 2HB GLN 22 15.459 -0.408 -0.754
204 HB3 GLN 22 1HB GLN 22 15.800 0.005 -2.435
205 HG2 GLN 22 2HG GLN 22 13.314 1.151 -1.246
206 HG3 GLN 22 1HG GLN 22 14.846 1.810 -0.675
207 HE21 GLN 22 1HE2 GLN 22 12.515 2.200 -3.065
208 HE22 GLN 22 2HE2 GLN 22 13.460 3.012 -4.218
209 H ARG 23 H ARG 23 13.140 -2.709 -3.901
210 HA ARG 23 HA ARG 23 14.457 -5.059 -3.413
211 HB2 ARG 23 2HB ARG 23 13.811 -3.838 -6.107
212 HB3 ARG 23 1HB ARG 23 14.240 -5.530 -5.850
213 HG2 ARG 23 2HG ARG 23 11.911 -4.139 -4.496
214 HG3 ARG 23 1HG ARG 23 11.762 -5.128 -5.947
215 HD2 ARG 23 2HD ARG 23 13.179 -6.797 -4.279
216 HD3 ARG 23 1HD ARG 23 12.139 -5.957 -3.136
217 HE ARG 23 HE ARG 23 11.305 -8.063 -4.678
218 HH11 ARG 23 1HH2 ARG 23 10.413 -4.721 -4.413
219 HH12 ARG 23 2HH2 ARG 23 8.801 -4.973 -4.985
220 HH21 ARG 23 1HH1 ARG 23 9.194 -8.385 -5.416
221 HH22 ARG 23 2HH1 ARG 23 8.110 -7.042 -5.548
Start of MODEL 20
1 H1 LEU 1 1HT LEU 1 -18.401 -1.741 3.994
2 H2 LEU 1 2HT LEU 1 -17.795 -0.463 4.937
3 H3 LEU 1 3HT LEU 1 -16.948 -1.932 4.847
4 HA LEU 1 HA LEU 1 -16.683 -1.539 2.409
5 HB2 LEU 1 2HB LEU 1 -17.627 1.217 3.258
6 HB3 LEU 1 1HB LEU 1 -16.988 0.799 1.668
7 HG LEU 1 HG LEU 1 -19.317 -0.744 2.790
8 HD11 LEU 1 2HD1 LEU 1 -19.951 1.623 3.004
9 HD12 LEU 1 3HD1 LEU 1 -20.847 0.861 1.690
10 HD13 LEU 1 1HD1 LEU 1 -19.476 1.911 1.330
11 HD21 LEU 1 1HD2 LEU 1 -18.398 0.022 -0.001
12 HD22 LEU 1 2HD2 LEU 1 -19.844 -0.920 0.354
13 HD23 LEU 1 3HD2 LEU 1 -18.253 -1.569 0.746
14 H LEU 2 H LEU 2 -14.728 -2.191 3.501
15 HA LEU 2 HA LEU 2 -13.088 -0.019 4.628
16 HB2 LEU 2 2HB LEU 2 -13.337 -2.164 5.878
17 HB3 LEU 2 1HB LEU 2 -12.489 -2.965 4.558
18 HG LEU 2 HG LEU 2 -10.722 -1.090 4.863
19 HD11 LEU 2 1HD1 LEU 2 -12.217 -1.001 7.499
20 HD12 LEU 2 2HD1 LEU 2 -11.847 0.351 6.430
21 HD13 LEU 2 3HD1 LEU 2 -10.554 -0.442 7.325
22 HD21 LEU 2 3HD2 LEU 2 -9.629 -2.420 6.687
23 HD22 LEU 2 1HD2 LEU 2 -10.196 -3.370 5.314
24 HD23 LEU 2 2HD2 LEU 2 -11.126 -3.346 6.813
25 H GLY 3 H GLY 3 -12.955 -2.607 2.267
26 HA2 GLY 3 2HA GLY 3 -10.522 -2.548 1.183
27 HA3 GLY 3 1HA GLY 3 -11.942 -2.585 0.141
28 H ASP 4 H ASP 4 -12.868 0.081 0.849
29 HA ASP 4 HA ASP 4 -11.338 1.611 -1.021
30 HB2 ASP 4 2HB ASP 4 -12.853 3.419 -0.511
31 HB3 ASP 4 1HB ASP 4 -13.791 1.927 -0.579
32 H PHE 5 H PHE 5 -11.618 1.527 2.497
33 HA PHE 5 HA PHE 5 -10.050 3.730 3.184
34 HB2 PHE 5 2HB PHE 5 -10.999 2.847 5.069
35 HB3 PHE 5 1HB PHE 5 -10.887 1.199 4.486
36 HD1 PHE 5 1HD PHE 5 -8.728 -0.066 4.682
37 HD2 PHE 5 2HD PHE 5 -9.276 3.830 6.403
38 HE1 PHE 5 1HE PHE 5 -6.727 -0.406 6.102
39 HE2 PHE 5 2HE PHE 5 -7.270 3.491 7.820
40 HZ PHE 5 HZ PHE 5 -5.995 1.369 7.668
41 H PHE 6 H PHE 6 -9.091 0.357 2.639
42 HA PHE 6 HA PHE 6 -6.333 0.714 3.086
43 HB2 PHE 6 2HB PHE 6 -8.047 -1.358 1.828
44 HB3 PHE 6 1HB PHE 6 -6.349 -1.363 1.354
45 HD1 PHE 6 1HD PHE 6 -4.690 -0.902 3.461
46 HD2 PHE 6 2HD PHE 6 -8.598 -2.676 3.664
47 HE1 PHE 6 1HE PHE 6 -4.088 -1.986 5.611
48 HE2 PHE 6 2HE PHE 6 -7.991 -3.762 5.811
49 HZ PHE 6 HZ PHE 6 -5.745 -3.410 6.787
50 H ARG 7 H ARG 7 -8.286 1.009 0.134
51 HA ARG 7 HA ARG 7 -6.270 1.194 -1.748
52 HB2 ARG 7 2HB ARG 7 -8.212 1.351 -2.902
53 HB3 ARG 7 1HB ARG 7 -9.065 2.046 -1.529
54 HG2 ARG 7 2HG ARG 7 -8.265 4.253 -2.047
55 HG3 ARG 7 1HG ARG 7 -7.150 3.624 -3.263
56 HD2 ARG 7 2HD ARG 7 -9.248 4.605 -4.235
57 HD3 ARG 7 1HD ARG 7 -8.982 2.920 -4.672
58 HE ARG 7 HE ARG 7 -10.539 2.768 -2.430
59 HH11 ARG 7 1HH2 ARG 7 -10.724 4.426 -5.463
60 HH12 ARG 7 2HH2 ARG 7 -12.454 4.408 -5.524
61 HH21 ARG 7 1HH1 ARG 7 -12.810 2.741 -2.505
62 HH22 ARG 7 2HH1 ARG 7 -13.635 3.455 -3.850
63 H LYS 8 H LYS 8 -7.604 3.771 0.317
64 HA LYS 8 HA LYS 8 -5.858 5.801 -0.680
65 HB2 LYS 8 2HB LYS 8 -7.546 5.550 1.809
66 HB3 LYS 8 1HB LYS 8 -6.522 6.955 1.513
67 HG2 LYS 8 2HG LYS 8 -7.695 7.493 -0.509
68 HG3 LYS 8 1HG LYS 8 -8.563 5.958 -0.486
69 HD2 LYS 8 2HD LYS 8 -9.957 7.872 0.315
70 HD3 LYS 8 1HD LYS 8 -9.760 6.610 1.531
71 HE2 LYS 8 2HE LYS 8 -7.833 8.920 1.446
72 HE3 LYS 8 1HE LYS 8 -9.402 9.110 2.227
73 HZ1 LYS 8 3HZ LYS 8 -8.600 8.071 3.988
74 HZ2 LYS 8 1HZ LYS 8 -7.104 7.845 3.221
75 HZ3 LYS 8 2HZ LYS 8 -8.327 6.676 3.058
76 H SER 9 H SER 9 -5.772 3.632 2.125
77 HA SER 9 HA SER 9 -3.356 4.691 3.210
78 HB2 SER 9 2HB SER 9 -5.132 3.294 4.414
79 HB3 SER 9 1HB SER 9 -4.391 1.894 3.648
80 HG SER 9 HG SER 9 -2.421 3.312 4.618
81 H LYS 10 H LYS 10 -4.057 1.736 1.316
82 HA LYS 10 HA LYS 10 -1.489 0.714 1.160
83 HB2 LYS 10 2HB LYS 10 -3.881 0.596 -0.633
84 HB3 LYS 10 1HB LYS 10 -2.343 0.020 -1.271
85 HG2 LYS 10 2HG LYS 10 -2.159 -1.363 0.900
86 HG3 LYS 10 1HG LYS 10 -3.868 -0.997 1.134
87 HD2 LYS 10 2HD LYS 10 -2.896 -2.135 -1.486
88 HD3 LYS 10 1HD LYS 10 -3.221 -3.194 -0.116
89 HE2 LYS 10 2HE LYS 10 -5.490 -2.855 -0.217
90 HE3 LYS 10 1HE LYS 10 -5.326 -1.185 -0.755
91 HZ1 LYS 10 3HZ LYS 10 -5.598 -3.578 -2.300
92 HZ2 LYS 10 1HZ LYS 10 -4.275 -2.641 -2.799
93 HZ3 LYS 10 2HZ LYS 10 -5.831 -1.959 -2.760
94 H GLU 11 H GLU 11 -2.964 3.349 -0.668
95 HA GLU 11 HA GLU 11 -0.900 3.694 -2.571
96 HB2 GLU 11 2HB GLU 11 -2.979 5.539 -1.402
97 HB3 GLU 11 1HB GLU 11 -1.777 6.129 -2.550
98 HG2 GLU 11 2HG GLU 11 -2.550 4.708 -4.273
99 HG3 GLU 11 1HG GLU 11 -3.427 3.676 -3.147
100 H LYS 12 H LYS 12 -1.511 5.354 0.534
101 HA LYS 12 HA LYS 12 0.786 6.928 0.608
102 HB2 LYS 12 2HB LYS 12 -1.236 6.856 2.220
103 HB3 LYS 12 1HB LYS 12 -0.339 5.595 3.064
104 HG2 LYS 12 2HG LYS 12 1.574 7.115 3.340
105 HG3 LYS 12 1HG LYS 12 0.710 8.375 2.458
106 HD2 LYS 12 2HD LYS 12 0.073 9.024 4.561
107 HD3 LYS 12 1HD LYS 12 -1.152 7.776 4.343
108 HE2 LYS 12 2HE LYS 12 1.531 7.434 5.716
109 HE3 LYS 12 1HE LYS 12 -0.048 7.458 6.499
110 HZ1 LYS 12 3HZ LYS 12 -0.541 5.544 4.839
111 HZ2 LYS 12 1HZ LYS 12 0.320 5.224 6.265
112 HZ3 LYS 12 2HZ LYS 12 1.151 5.388 4.793
113 H ILE 13 H ILE 13 0.282 3.593 1.755
114 HA ILE 13 HA ILE 13 2.889 3.180 2.737
115 HB ILE 13 HB ILE 13 0.603 1.435 1.867
116 HG12 ILE 13 2HG1 ILE 13 1.058 0.625 4.307
117 HG13 ILE 13 1HG1 ILE 13 2.027 2.090 4.443
118 HG21 ILE 13 1HG2 ILE 13 2.457 0.156 1.091
119 HG22 ILE 13 2HG2 ILE 13 2.007 -0.520 2.656
120 HG23 ILE 13 3HG2 ILE 13 3.404 0.546 2.529
121 HD11 ILE 13 3HD1 ILE 13 -0.901 1.948 3.674
122 HD12 ILE 13 1HD1 ILE 13 0.059 3.427 3.730
123 HD13 ILE 13 2HD1 ILE 13 -0.255 2.524 5.210
124 H GLY 14 H GLY 14 1.383 2.860 -0.432
125 HA2 GLY 14 2HA GLY 14 3.255 1.374 -1.817
126 HA3 GLY 14 1HA GLY 14 2.327 2.690 -2.532
127 H LYS 15 H LYS 15 3.289 4.852 -1.098
128 HA LYS 15 HA LYS 15 5.742 5.378 -2.453
129 HB2 LYS 15 2HB LYS 15 4.081 6.840 -0.420
130 HB3 LYS 15 1HB LYS 15 5.696 7.426 -0.814
131 HG2 LYS 15 2HG LYS 15 4.034 8.524 -2.246
132 HG3 LYS 15 1HG LYS 15 5.073 7.480 -3.218
133 HD2 LYS 15 2HD LYS 15 3.402 5.790 -3.377
134 HD3 LYS 15 1HD LYS 15 2.433 6.526 -2.099
135 HE2 LYS 15 2HE LYS 15 1.953 8.453 -3.516
136 HE3 LYS 15 1HE LYS 15 3.010 7.822 -4.779
137 HZ1 LYS 15 3HZ LYS 15 0.302 7.163 -4.199
138 HZ2 LYS 15 1HZ LYS 15 1.277 5.776 -4.197
139 HZ3 LYS 15 2HZ LYS 15 1.235 6.780 -5.567
140 H GLU 16 H GLU 16 5.002 5.116 1.037
141 HA GLU 16 HA GLU 16 7.685 5.139 1.903
142 HB2 GLU 16 2HB GLU 16 5.191 3.952 3.137
143 HB3 GLU 16 1HB GLU 16 6.750 4.001 3.961
144 HG2 GLU 16 2HG GLU 16 6.803 6.458 3.711
145 HG3 GLU 16 1HG GLU 16 5.236 6.407 2.903
146 H PHE 17 H PHE 17 5.485 2.509 1.054
147 HA PHE 17 HA PHE 17 7.024 0.294 1.699
148 HB2 PHE 17 2HB PHE 17 4.727 0.129 0.919
149 HB3 PHE 17 1HB PHE 17 5.193 0.726 -0.667
150 HD1 PHE 17 2HD PHE 17 6.250 -1.909 1.769
151 HD2 PHE 17 1HD PHE 17 5.505 -0.872 -2.329
152 HE1 PHE 17 2HE PHE 17 6.747 -4.239 1.097
153 HE2 PHE 17 1HE PHE 17 5.996 -3.203 -3.006
154 HZ PHE 17 HZ PHE 17 6.624 -4.891 -1.297
155 H LYS 18 H LYS 18 7.119 2.334 -1.193
156 HA LYS 18 HA LYS 18 8.877 0.787 -2.720
157 HB2 LYS 18 2HB LYS 18 7.525 3.071 -3.150
158 HB3 LYS 18 1HB LYS 18 9.132 3.744 -2.885
159 HG2 LYS 18 2HG LYS 18 9.221 3.323 -5.170
160 HG3 LYS 18 1HG LYS 18 9.871 1.811 -4.540
161 HD2 LYS 18 2HD LYS 18 7.656 0.767 -4.702
162 HD3 LYS 18 1HD LYS 18 6.966 2.287 -5.273
163 HE2 LYS 18 2HE LYS 18 9.144 0.711 -6.678
164 HE3 LYS 18 1HE LYS 18 7.448 0.765 -7.160
165 HZ1 LYS 18 3HZ LYS 18 8.072 3.373 -6.970
166 HZ2 LYS 18 1HZ LYS 18 8.100 2.481 -8.411
167 HZ3 LYS 18 2HZ LYS 18 9.536 2.721 -7.535
168 H ARG 19 H ARG 19 9.597 3.394 -0.389
169 HA ARG 19 HA ARG 19 12.438 3.117 -0.745
170 HB2 ARG 19 2HB ARG 19 12.618 4.972 0.570
171 HB3 ARG 19 1HB ARG 19 10.904 5.130 0.200
172 HG2 ARG 19 2HG ARG 19 10.501 3.684 2.297
173 HG3 ARG 19 1HG ARG 19 12.175 4.024 2.708
174 HD2 ARG 19 2HD ARG 19 9.896 5.969 2.395
175 HD3 ARG 19 1HD ARG 19 10.894 5.701 3.816
176 HE ARG 19 HE ARG 19 11.377 7.602 1.830
177 HH11 ARG 19 1HH2 ARG 19 13.112 5.024 3.370
178 HH12 ARG 19 2HH2 ARG 19 14.670 5.671 2.983
179 HH21 ARG 19 1HH1 ARG 19 13.410 8.448 1.342
180 HH22 ARG 19 2HH1 ARG 19 14.839 7.606 1.842
181 H ILE 20 H ILE 20 10.027 1.659 1.274
182 HA ILE 20 HA ILE 20 11.913 0.618 3.201
183 HB ILE 20 HB ILE 20 9.178 1.082 3.189
184 HG12 ILE 20 2HG1 ILE 20 10.772 -0.679 5.068
185 HG13 ILE 20 1HG1 ILE 20 10.715 1.083 5.115
186 HG21 ILE 20 1HG2 ILE 20 9.595 -1.918 3.333
187 HG22 ILE 20 2HG2 ILE 20 8.875 -1.090 1.952
188 HG23 ILE 20 3HG2 ILE 20 8.076 -1.045 3.520
189 HD11 ILE 20 3HD1 ILE 20 8.464 -0.862 5.644
190 HD12 ILE 20 1HD1 ILE 20 8.172 0.847 5.321
191 HD13 ILE 20 2HD1 ILE 20 9.116 0.364 6.730
192 H VAL 21 H VAL 21 10.234 -0.516 0.336
193 HA VAL 21 HA VAL 21 11.412 -3.191 0.623
194 HB VAL 21 HB VAL 21 8.973 -2.833 0.015
195 HG11 VAL 21 1HG1 VAL 21 9.978 -1.043 -1.825
196 HG12 VAL 21 2HG1 VAL 21 8.364 -1.746 -1.890
197 HG13 VAL 21 3HG1 VAL 21 9.672 -2.459 -2.829
198 HG21 VAL 21 3HG2 VAL 21 10.294 -4.940 -0.399
199 HG22 VAL 21 1HG2 VAL 21 10.616 -4.354 -2.030
200 HG23 VAL 21 2HG2 VAL 21 8.962 -4.698 -1.527
201 H GLN 22 H GLN 22 13.433 -1.535 0.263
202 HA GLN 22 HA GLN 22 14.052 -0.870 -2.435
203 HB2 GLN 22 2HB GLN 22 16.127 -1.402 -0.320
204 HB3 GLN 22 1HB GLN 22 16.161 -0.224 -1.633
205 HG2 GLN 22 2HG GLN 22 14.267 0.982 -0.544
206 HG3 GLN 22 1HG GLN 22 14.365 -0.148 0.806
207 HE21 GLN 22 1HE2 GLN 22 17.498 0.206 -0.259
208 HE22 GLN 22 2HE2 GLN 22 17.993 1.468 0.761
209 H ARG 23 H ARG 23 13.102 -3.488 -2.428
210 HA ARG 23 HA ARG 23 15.429 -5.248 -2.675
211 HB2 ARG 23 2HB ARG 23 12.518 -5.894 -3.179
212 HB3 ARG 23 1HB ARG 23 13.838 -7.034 -2.923
213 HG2 ARG 23 2HG ARG 23 14.157 -5.850 -0.640
214 HG3 ARG 23 1HG ARG 23 12.569 -5.154 -0.930
215 HD2 ARG 23 2HD ARG 23 11.608 -7.041 -0.181
216 HD3 ARG 23 1HD ARG 23 12.349 -7.941 -1.494
217 HE ARG 23 HE ARG 23 12.962 -8.306 1.162
218 HH11 ARG 23 1HH2 ARG 23 14.750 -7.302 -1.636
219 HH12 ARG 23 2HH2 ARG 23 16.264 -7.884 -1.037
220 HH21 ARG 23 1HH1 ARG 23 14.941 -9.064 1.938
221 HH22 ARG 23 2HH1 ARG 23 16.374 -8.877 0.982