NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
560912 |
2lrx   |
18400 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 HT1 ARG 1 -6.611 3.012 8.339
2 H2 ARG 1 HT2 ARG 1 -6.887 2.483 9.948
3 H3 ARG 1 HT3 ARG 1 -8.054 3.456 9.150
4 HA ARG 1 HA ARG 1 -7.261 0.708 8.460
5 HB2 ARG 1 HB2 ARG 1 -9.800 1.909 9.586
6 HB3 ARG 1 HB1 ARG 1 -9.607 0.227 9.109
7 HG2 ARG 1 HG2 ARG 1 -9.173 -0.047 11.297
8 HG3 ARG 1 HG1 ARG 1 -7.549 0.448 10.815
9 HD2 ARG 1 HD2 ARG 1 -7.874 1.893 12.547
10 HD3 ARG 1 HD1 ARG 1 -8.554 2.859 11.238
11 HE ARG 1 HE ARG 1 -10.691 1.483 12.156
12 HH11 ARG 1 HH11 ARG 1 -8.278 3.456 13.727
13 HH12 ARG 1 HH12 ARG 1 -9.345 3.979 14.986
14 HH21 ARG 1 HH21 ARG 1 -12.096 2.170 13.812
15 HH22 ARG 1 HH22 ARG 1 -11.513 3.249 15.035
16 H GLN 2 HN GLN 2 -9.965 2.962 7.896
17 HA GLN 2 HA GLN 2 -9.711 2.403 5.014
18 HB2 GLN 2 HB2 GLN 2 -12.239 2.680 6.646
19 HB3 GLN 2 HB1 GLN 2 -12.199 2.627 4.889
20 HG2 GLN 2 HG2 GLN 2 -11.374 0.449 6.791
21 HG3 GLN 2 HG1 GLN 2 -12.779 0.463 5.726
22 HE21 GLN 2 HE21 GLN 2 -10.403 -1.339 5.964
23 HE22 GLN 2 HE22 GLN 2 -9.757 -1.427 4.364
24 HA PRO 3 HA PRO 3 -9.715 6.973 5.468
25 HB2 PRO 3 HB2 PRO 3 -7.217 7.298 4.302
26 HB3 PRO 3 HB1 PRO 3 -7.512 7.191 6.042
27 HG2 PRO 3 HG2 PRO 3 -6.120 5.325 4.391
28 HG3 PRO 3 HG1 PRO 3 -6.488 5.180 6.116
29 HD2 PRO 3 HD2 PRO 3 -7.885 4.004 3.769
30 HD3 PRO 3 HD1 PRO 3 -7.790 3.416 5.451
31 H ARG 4 HN ARG 4 -9.767 8.587 3.668
32 HA ARG 4 HA ARG 4 -11.025 7.699 1.376
33 HB2 ARG 4 HB2 ARG 4 -10.365 10.151 2.301
34 HB3 ARG 4 HB1 ARG 4 -9.181 10.000 1.011
35 HG2 ARG 4 HG2 ARG 4 -10.970 11.053 -0.016
36 HG3 ARG 4 HG1 ARG 4 -11.181 9.361 -0.470
37 HD2 ARG 4 HD2 ARG 4 -12.726 9.160 1.524
38 HD3 ARG 4 HD1 ARG 4 -12.665 10.918 1.633
39 HE ARG 4 HE ARG 4 -14.142 11.008 -0.095
40 HH11 ARG 4 HH11 ARG 4 -12.534 7.913 -0.203
41 HH12 ARG 4 HH12 ARG 4 -13.493 7.320 -1.518
42 HH21 ARG 4 HH21 ARG 4 -15.404 10.230 -1.825
43 HH22 ARG 4 HH22 ARG 4 -15.122 8.636 -2.439
44 HA PRO 5 HA PRO 5 -7.325 5.757 -0.335
45 HB2 PRO 5 HB2 PRO 5 -8.462 3.608 -1.357
46 HB3 PRO 5 HB1 PRO 5 -8.398 3.821 0.392
47 HG2 PRO 5 HG2 PRO 5 -10.687 4.303 -1.480
48 HG3 PRO 5 HG1 PRO 5 -10.686 3.510 0.106
49 HD2 PRO 5 HD2 PRO 5 -11.344 6.177 -0.364
50 HD3 PRO 5 HD1 PRO 5 -10.883 5.494 1.209
51 H ALA 6 HN ALA 6 -6.429 6.612 -2.086
52 HA ALA 6 HA ALA 6 -8.109 7.177 -4.425
53 HB1 ALA 6 HB1 ALA 6 -6.800 8.976 -4.882
54 HB2 ALA 6 HB2 ALA 6 -5.333 8.198 -4.288
55 HB3 ALA 6 HB3 ALA 6 -6.495 8.874 -3.148
56 H LYS 7 HN LYS 7 -5.866 7.388 -6.248
57 HA LYS 7 HA LYS 7 -5.447 4.525 -6.710
58 HB2 LYS 7 HB2 LYS 7 -6.464 5.669 -8.568
59 HB3 LYS 7 HB1 LYS 7 -5.224 6.918 -8.542
60 HG2 LYS 7 HG2 LYS 7 -4.521 4.041 -9.053
61 HG3 LYS 7 HG1 LYS 7 -5.111 5.087 -10.349
62 HD2 LYS 7 HD2 LYS 7 -2.585 5.363 -8.728
63 HD3 LYS 7 HD1 LYS 7 -2.754 5.179 -10.471
64 HE2 LYS 7 HE2 LYS 7 -4.156 7.464 -10.055
65 HE3 LYS 7 HE1 LYS 7 -2.931 7.587 -8.789
66 HZ1 LYS 7 HZ1 LYS 7 -1.750 8.487 -10.463
67 HZ2 LYS 7 HZ2 LYS 7 -2.635 7.713 -11.679
68 HZ3 LYS 7 HZ3 LYS 7 -1.423 6.873 -10.851
69 H TYR 8 HN TYR 8 -3.522 3.619 -6.575
70 HA TYR 8 HA TYR 8 -1.083 5.167 -6.769
71 HB2 TYR 8 HB2 TYR 8 -1.910 3.706 -4.258
72 HB3 TYR 8 HB1 TYR 8 -0.232 4.128 -4.610
73 HD1 TYR 8 HD2 TYR 8 -0.668 6.812 -5.861
74 HD2 TYR 8 HD1 TYR 8 -2.361 5.055 -2.377
75 HE1 TYR 8 HE2 TYR 8 -1.045 9.047 -4.932
76 HE2 TYR 8 HE1 TYR 8 -2.739 7.292 -1.429
77 HH TYR 8 HH TYR 8 -1.279 9.985 -2.429
78 H LYS 9 HN LYS 9 0.854 3.633 -6.541
79 HA LYS 9 HA LYS 9 0.124 1.088 -7.827
80 HB2 LYS 9 HB2 LYS 9 1.217 2.557 -9.398
81 HB3 LYS 9 HB1 LYS 9 2.538 2.846 -8.274
82 HG2 LYS 9 HG2 LYS 9 3.623 1.216 -9.308
83 HG3 LYS 9 HG1 LYS 9 2.491 0.097 -8.550
84 HD2 LYS 9 HD2 LYS 9 1.939 1.455 -11.179
85 HD3 LYS 9 HD1 LYS 9 2.746 -0.110 -11.059
86 HE2 LYS 9 HE2 LYS 9 0.752 -0.893 -9.720
87 HE3 LYS 9 HE1 LYS 9 -0.047 0.606 -10.193
88 HZ1 LYS 9 HZ1 LYS 9 1.123 -1.127 -12.261
89 HZ2 LYS 9 HZ2 LYS 9 -0.174 -0.047 -12.377
90 HZ3 LYS 9 HZ3 LYS 9 -0.378 -1.531 -11.592
91 H PHE 10 HN PHE 10 0.645 -0.669 -6.796
92 HA PHE 10 HA PHE 10 3.039 -0.963 -5.241
93 HB2 PHE 10 HB2 PHE 10 2.232 -0.755 -3.137
94 HB3 PHE 10 HB1 PHE 10 0.876 0.091 -3.872
95 HD1 PHE 10 HD1 PHE 10 -0.714 -1.952 -5.078
96 HD2 PHE 10 HD2 PHE 10 1.459 -2.078 -1.426
97 HE1 PHE 10 HE1 PHE 10 -2.236 -3.691 -4.247
98 HE2 PHE 10 HE2 PHE 10 -0.063 -3.823 -0.584
99 HZ PHE 10 HZ PHE 10 -1.910 -4.632 -2.002
100 H THR 11 HN THR 11 2.932 -3.237 -4.115
101 HA THR 11 HA THR 11 1.492 -5.063 -5.930
102 HB THR 11 HB THR 11 3.924 -5.105 -6.303
103 HG1 THR 11 HG1 THR 11 2.997 -7.046 -6.675
104 HG21 THR 11 HG21 THR 11 4.633 -6.516 -3.879
105 HG22 THR 11 HG22 THR 11 4.179 -4.839 -3.574
106 HG23 THR 11 HG23 THR 11 5.469 -5.210 -4.719
107 H ASP 12 HN ASP 12 -0.118 -6.059 -4.902
108 HA ASP 12 HA ASP 12 -0.667 -6.138 -2.195
109 HB2 ASP 12 HB2 ASP 12 -1.385 -8.028 -4.433
110 HB3 ASP 12 HB1 ASP 12 -1.960 -8.287 -2.790
111 H VAL 13 HN VAL 13 -0.806 -8.302 -0.905
112 HA VAL 13 HA VAL 13 1.867 -9.169 -0.442
113 HB VAL 13 HB VAL 13 0.236 -8.935 1.391
114 HG11 VAL 13 HG11 VAL 13 -1.753 -9.692 0.267
115 HG12 VAL 13 HG12 VAL 13 -1.468 -10.717 1.675
116 HG13 VAL 13 HG13 VAL 13 -1.072 -11.304 0.059
117 HG21 VAL 13 HG21 VAL 13 1.171 -11.789 1.122
118 HG22 VAL 13 HG22 VAL 13 0.887 -10.889 2.611
119 HG23 VAL 13 HG23 VAL 13 2.225 -10.443 1.553
120 H ASN 14 HN ASN 14 -0.488 -10.178 -2.594
121 HA ASN 14 HA ASN 14 0.496 -12.927 -2.689
122 HB2 ASN 14 HB2 ASN 14 -2.011 -11.926 -2.838
123 HB3 ASN 14 HB1 ASN 14 -1.615 -12.062 -4.553
124 HD21 ASN 14 HD21 ASN 14 -1.334 -13.930 -1.548
125 HD22 ASN 14 HD22 ASN 14 -1.768 -15.456 -2.255
126 H GLY 15 HN GLY 15 1.271 -10.005 -4.036
127 HA2 GLY 15 HA2 GLY 15 3.074 -9.873 -5.611
128 HA3 GLY 15 HA1 GLY 15 2.478 -11.352 -6.359
129 H GLU 16 HN GLU 16 -0.127 -9.361 -5.684
130 HA GLU 16 HA GLU 16 -0.639 -8.861 -8.428
131 HB2 GLU 16 HB2 GLU 16 -1.996 -7.391 -6.183
132 HB3 GLU 16 HB1 GLU 16 -2.659 -7.874 -7.737
133 HG2 GLU 16 HG2 GLU 16 -1.852 -10.229 -6.408
134 HG3 GLU 16 HG1 GLU 16 -2.741 -9.246 -5.245
135 H THR 17 HN THR 17 -1.620 -6.275 -8.547
136 HA THR 17 HA THR 17 0.342 -4.389 -7.673
137 HB THR 17 HB THR 17 0.211 -4.876 -10.645
138 HG1 THR 17 HG1 THR 17 2.232 -5.683 -8.828
139 HG21 THR 17 HG21 THR 17 2.534 -3.687 -10.332
140 HG22 THR 17 HG22 THR 17 1.736 -3.023 -8.905
141 HG23 THR 17 HG23 THR 17 1.040 -2.766 -10.505
142 H LYS 18 HN LYS 18 -1.528 -3.333 -6.872
143 HA LYS 18 HA LYS 18 -2.934 -1.806 -8.939
144 HB2 LYS 18 HB2 LYS 18 -4.134 -3.932 -7.584
145 HB3 LYS 18 HB1 LYS 18 -4.745 -2.482 -6.780
146 HG2 LYS 18 HG2 LYS 18 -6.250 -3.040 -8.546
147 HG3 LYS 18 HG1 LYS 18 -5.375 -1.574 -9.009
148 HD2 LYS 18 HD2 LYS 18 -5.630 -3.280 -10.836
149 HD3 LYS 18 HD1 LYS 18 -3.968 -2.795 -10.498
150 HE2 LYS 18 HE2 LYS 18 -3.474 -4.816 -9.422
151 HE3 LYS 18 HE1 LYS 18 -5.178 -5.221 -9.211
152 HZ1 LYS 18 HZ1 LYS 18 -4.199 -4.928 -11.947
153 HZ2 LYS 18 HZ2 LYS 18 -5.351 -5.996 -11.319
154 HZ3 LYS 18 HZ3 LYS 18 -3.703 -6.303 -11.094
155 H THR 19 HN THR 19 -4.765 -0.561 -7.192
156 HA THR 19 HA THR 19 -3.027 1.396 -5.989
157 HB THR 19 HB THR 19 -5.011 2.710 -5.698
158 HG1 THR 19 HG1 THR 19 -6.982 1.874 -5.723
159 HG21 THR 19 HG21 THR 19 -4.014 2.278 -7.973
160 HG22 THR 19 HG22 THR 19 -5.645 2.960 -7.910
161 HG23 THR 19 HG23 THR 19 -5.412 1.244 -8.253
162 H TRP 20 HN TRP 20 -2.498 1.561 -3.973
163 HA TRP 20 HA TRP 20 -4.135 0.295 -1.938
164 HB2 TRP 20 HB2 TRP 20 -2.507 -1.267 -3.109
165 HB3 TRP 20 HB1 TRP 20 -1.244 -0.410 -2.241
166 HD1 TRP 20 HD1 TRP 20 -4.203 -2.782 -1.620
167 HE1 TRP 20 HE1 TRP 20 -3.909 -3.861 0.695
168 HE3 TRP 20 HE3 TRP 20 -0.185 -0.107 -0.001
169 HZ2 TRP 20 HZ2 TRP 20 -2.200 -3.602 2.925
170 HZ3 TRP 20 HZ3 TRP 20 0.729 -0.581 2.235
171 HH2 TRP 20 HH2 TRP 20 -0.260 -2.297 3.667
172 H THR 21 HN THR 21 -4.085 1.344 -0.071
173 HA THR 21 HA THR 21 -1.848 3.152 0.524
174 HB THR 21 HB THR 21 -3.799 4.455 -0.350
175 HG1 THR 21 HG1 THR 21 -2.323 5.250 1.320
176 HG21 THR 21 HG21 THR 21 -5.211 3.584 2.158
177 HG22 THR 21 HG22 THR 21 -5.597 3.009 0.536
178 HG23 THR 21 HG23 THR 21 -5.796 4.715 0.938
179 H GLY 22 HN GLY 22 -4.717 1.513 1.718
180 HA2 GLY 22 HA2 GLY 22 -3.339 0.341 3.930
181 HA3 GLY 22 HA1 GLY 22 -4.438 1.631 4.436
182 H GLN 23 HN GLN 23 -4.417 -1.202 2.258
183 HA GLN 23 HA GLN 23 -7.258 -1.521 2.454
184 HB2 GLN 23 HB2 GLN 23 -5.411 -2.255 0.595
185 HB3 GLN 23 HB1 GLN 23 -5.661 -3.788 1.414
186 HG2 GLN 23 HG2 GLN 23 -7.262 -3.945 -0.181
187 HG3 GLN 23 HG1 GLN 23 -8.199 -3.157 1.088
188 HE21 GLN 23 HE21 GLN 23 -9.321 -2.811 -1.170
189 HE22 GLN 23 HE22 GLN 23 -8.995 -1.275 -1.890
190 H GLY 24 HN GLY 24 -4.860 -4.071 3.016
191 HA2 GLY 24 HA2 GLY 24 -5.606 -4.536 5.725
192 HA3 GLY 24 HA1 GLY 24 -6.427 -5.663 4.641
193 H ARG 25 HN ARG 25 -4.819 -6.535 2.884
194 HA ARG 25 HA ARG 25 -2.873 -8.067 4.269
195 HB2 ARG 25 HB2 ARG 25 -2.452 -9.125 2.220
196 HB3 ARG 25 HB1 ARG 25 -4.140 -8.657 2.095
197 HG2 ARG 25 HG2 ARG 25 -3.104 -6.510 0.964
198 HG3 ARG 25 HG1 ARG 25 -1.762 -7.613 0.644
199 HD2 ARG 25 HD2 ARG 25 -3.086 -7.873 -1.238
200 HD3 ARG 25 HD1 ARG 25 -3.616 -9.209 -0.218
201 HE ARG 25 HE ARG 25 -5.238 -6.979 0.293
202 HH11 ARG 25 HH11 ARG 25 -4.599 -9.290 -2.242
203 HH12 ARG 25 HH12 ARG 25 -6.196 -9.191 -2.906
204 HH21 ARG 25 HH21 ARG 25 -7.338 -6.847 -0.578
205 HH22 ARG 25 HH22 ARG 25 -7.750 -7.804 -1.962
206 H THR 26 HN THR 26 -0.868 -7.446 4.836
207 HA THR 26 HA THR 26 0.199 -5.041 3.553
208 HB THR 26 HB THR 26 1.751 -5.970 5.806
209 HG1 THR 26 HG1 THR 26 -1.027 -5.585 6.200
210 HG21 THR 26 HG21 THR 26 0.051 -3.529 5.868
211 HG22 THR 26 HG22 THR 26 1.410 -3.609 4.746
212 HG23 THR 26 HG23 THR 26 1.686 -3.786 6.481
213 HA PRO 27 HA PRO 27 2.469 -8.327 1.239
214 HB2 PRO 27 HB2 PRO 27 3.638 -6.150 -0.200
215 HB3 PRO 27 HB1 PRO 27 2.410 -7.282 -0.767
216 HG2 PRO 27 HG2 PRO 27 2.106 -4.546 0.321
217 HG3 PRO 27 HG1 PRO 27 1.073 -5.429 -0.812
218 HD2 PRO 27 HD2 PRO 27 0.320 -5.001 1.716
219 HD3 PRO 27 HD1 PRO 27 -0.065 -6.523 0.885
220 H LYS 28 HN LYS 28 4.565 -8.965 1.479
221 HA LYS 28 HA LYS 28 6.004 -8.328 3.672
222 HB2 LYS 28 HB2 LYS 28 7.361 -9.120 1.105
223 HB3 LYS 28 HB1 LYS 28 7.847 -9.504 2.750
224 HG2 LYS 28 HG2 LYS 28 5.713 -10.716 1.068
225 HG3 LYS 28 HG1 LYS 28 6.922 -11.491 2.091
226 HD2 LYS 28 HD2 LYS 28 5.534 -10.227 3.992
227 HD3 LYS 28 HD1 LYS 28 4.249 -10.393 2.794
228 HE2 LYS 28 HE2 LYS 28 5.862 -12.564 4.112
229 HE3 LYS 28 HE1 LYS 28 4.120 -12.305 4.181
230 HZ1 LYS 28 HZ1 LYS 28 5.656 -13.092 1.763
231 HZ2 LYS 28 HZ2 LYS 28 3.983 -12.847 1.830
232 HZ3 LYS 28 HZ3 LYS 28 4.686 -14.120 2.694
233 HA PRO 29 HA PRO 29 8.863 -5.197 1.267
234 HB2 PRO 29 HB2 PRO 29 7.594 -3.963 -0.853
235 HB3 PRO 29 HB1 PRO 29 8.751 -5.298 -1.007
236 HG2 PRO 29 HG2 PRO 29 5.761 -5.363 -1.039
237 HG3 PRO 29 HG1 PRO 29 6.915 -6.271 -2.033
238 HD2 PRO 29 HD2 PRO 29 5.651 -7.401 0.047
239 HD3 PRO 29 HD1 PRO 29 7.332 -7.818 -0.358
240 H ILE 30 HN ILE 30 5.459 -4.332 0.632
241 HA ILE 30 HA ILE 30 5.640 -1.705 1.593
242 HB ILE 30 HB ILE 30 3.182 -3.453 1.539
243 HG12 ILE 30 HG12 ILE 30 4.720 -2.960 -0.615
244 HG13 ILE 30 HG11 ILE 30 2.970 -3.104 -0.703
245 HG21 ILE 30 HG21 ILE 30 3.652 -0.555 1.976
246 HG22 ILE 30 HG22 ILE 30 2.464 -1.634 2.706
247 HG23 ILE 30 HG23 ILE 30 2.221 -1.036 1.065
248 HD11 ILE 30 HD11 ILE 30 4.524 -0.535 -0.516
249 HD12 ILE 30 HD12 ILE 30 2.768 -0.674 -0.598
250 HD13 ILE 30 HD13 ILE 30 3.759 -1.191 -1.964
251 H ALA 31 HN ALA 31 5.032 -4.741 3.224
252 HA ALA 31 HA ALA 31 3.920 -3.855 5.606
253 HB1 ALA 31 HB1 ALA 31 3.935 -6.154 5.376
254 HB2 ALA 31 HB2 ALA 31 5.203 -5.899 6.575
255 HB3 ALA 31 HB3 ALA 31 5.630 -6.199 4.890
256 H GLN 32 HN GLN 32 7.324 -4.079 4.660
257 HA GLN 32 HA GLN 32 8.402 -3.293 7.148
258 HB2 GLN 32 HB2 GLN 32 9.764 -4.390 5.453
259 HB3 GLN 32 HB1 GLN 32 9.530 -3.039 4.353
260 HG2 GLN 32 HG2 GLN 32 10.582 -1.764 6.490
261 HG3 GLN 32 HG1 GLN 32 11.364 -3.338 6.625
262 HE21 GLN 32 HE21 GLN 32 10.412 -1.330 3.859
263 HE22 GLN 32 HE22 GLN 32 11.979 -1.283 3.134
264 H ALA 33 HN ALA 33 7.572 -1.463 4.220
265 HA ALA 33 HA ALA 33 8.440 1.051 5.182
266 HB1 ALA 33 HB1 ALA 33 7.121 1.991 3.342
267 HB2 ALA 33 HB2 ALA 33 6.376 0.415 3.077
268 HB3 ALA 33 HB3 ALA 33 8.106 0.628 2.812
269 H LEU 34 HN LEU 34 5.263 -0.527 5.178
270 HA LEU 34 HA LEU 34 3.924 1.668 6.415
271 HB2 LEU 34 HB2 LEU 34 3.249 -1.073 5.570
272 HB3 LEU 34 HB1 LEU 34 2.312 -0.459 6.921
273 HG LEU 34 HG LEU 34 2.548 0.814 4.196
274 HD11 LEU 34 HD11 LEU 34 1.152 -1.119 4.107
275 HD12 LEU 34 HD12 LEU 34 0.109 0.304 4.110
276 HD13 LEU 34 HD13 LEU 34 0.311 -0.648 5.582
277 HD21 LEU 34 HD21 LEU 34 1.986 2.012 6.681
278 HD22 LEU 34 HD22 LEU 34 0.448 1.869 5.828
279 HD23 LEU 34 HD23 LEU 34 1.802 2.710 5.072
280 H ALA 35 HN ALA 35 5.399 -1.306 7.565
281 HA ALA 35 HA ALA 35 4.451 -1.264 10.201
282 HB1 ALA 35 HB1 ALA 35 7.016 -2.368 9.069
283 HB2 ALA 35 HB2 ALA 35 5.508 -3.236 9.356
284 HB3 ALA 35 HB3 ALA 35 6.461 -2.650 10.719
285 H GLU 36 HN GLU 36 6.887 0.629 8.621
286 HA GLU 36 HA GLU 36 8.240 1.473 10.995
287 HB2 GLU 36 HB2 GLU 36 8.303 2.171 8.116
288 HB3 GLU 36 HB1 GLU 36 8.846 3.416 9.231
289 HG2 GLU 36 HG2 GLU 36 10.667 1.991 8.351
290 HG3 GLU 36 HG1 GLU 36 10.544 1.989 10.115
291 H GLY 37 HN GLY 37 5.282 2.323 9.504
292 HA2 GLY 37 HA2 GLY 37 3.727 3.630 10.832
293 HA3 GLY 37 HA1 GLY 37 5.080 4.657 11.298
294 H LYS 38 HN LYS 38 5.617 4.080 8.136
295 HA LYS 38 HA LYS 38 4.449 6.635 7.378
296 HB2 LYS 38 HB2 LYS 38 6.255 4.834 5.754
297 HB3 LYS 38 HB1 LYS 38 5.876 6.531 5.435
298 HG2 LYS 38 HG2 LYS 38 7.823 6.916 6.467
299 HG3 LYS 38 HG1 LYS 38 6.885 6.690 7.945
300 HD2 LYS 38 HD2 LYS 38 8.546 5.202 8.378
301 HD3 LYS 38 HD1 LYS 38 7.489 4.139 7.446
302 HE2 LYS 38 HE2 LYS 38 8.911 4.043 5.700
303 HE3 LYS 38 HE1 LYS 38 9.378 5.736 5.856
304 HZ1 LYS 38 HZ1 LYS 38 11.010 3.742 6.426
305 HZ2 LYS 38 HZ2 LYS 38 10.295 3.928 7.948
306 HZ3 LYS 38 HZ3 LYS 38 11.087 5.234 7.222
307 H SER 39 HN SER 39 3.203 6.921 5.472
308 HA SER 39 HA SER 39 1.418 4.675 4.939
309 HB2 SER 39 HB2 SER 39 0.717 7.146 5.418
310 HB3 SER 39 HB1 SER 39 1.124 7.407 3.714
311 HG SER 39 HG SER 39 -0.645 5.379 4.611
312 H LEU 40 HN LEU 40 0.599 4.665 2.549
313 HA LEU 40 HA LEU 40 2.734 3.756 0.950
314 HB2 LEU 40 HB2 LEU 40 -0.180 4.150 0.605
315 HB3 LEU 40 HB1 LEU 40 0.785 3.993 -0.853
316 HG LEU 40 HG LEU 40 -0.085 1.842 -0.223
317 HD11 LEU 40 HD11 LEU 40 1.803 1.018 -1.037
318 HD12 LEU 40 HD12 LEU 40 2.505 1.069 0.580
319 HD13 LEU 40 HD13 LEU 40 2.682 2.451 -0.502
320 HD21 LEU 40 HD21 LEU 40 -0.377 1.266 1.897
321 HD22 LEU 40 HD22 LEU 40 0.434 2.742 2.412
322 HD23 LEU 40 HD23 LEU 40 1.367 1.270 2.149
323 H ASP 41 HN ASP 41 1.574 6.873 1.492
324 HA ASP 41 HA ASP 41 1.812 8.174 -0.926
325 HB2 ASP 41 HB2 ASP 41 2.527 10.179 0.467
326 HB3 ASP 41 HB1 ASP 41 1.009 9.416 0.930
327 H ASP 42 HN ASP 42 4.304 6.785 1.034
328 HA ASP 42 HA ASP 42 6.489 8.258 -0.051
329 HB2 ASP 42 HB2 ASP 42 6.194 5.780 1.599
330 HB3 ASP 42 HB1 ASP 42 7.746 6.103 0.822
331 H PHE 43 HN PHE 43 4.860 5.250 -0.886
332 HA PHE 43 HA PHE 43 6.636 4.968 -3.216
333 HB2 PHE 43 HB2 PHE 43 4.770 2.863 -2.105
334 HB3 PHE 43 HB1 PHE 43 6.056 2.643 -3.295
335 HD1 PHE 43 HD2 PHE 43 7.930 4.578 -1.560
336 HD2 PHE 43 HD1 PHE 43 5.718 1.021 -0.804
337 HE1 PHE 43 HE2 PHE 43 9.496 3.992 0.245
338 HE2 PHE 43 HE1 PHE 43 7.281 0.429 1.000
339 HZ PHE 43 HZ PHE 43 9.173 1.915 1.527
340 H LEU 44 HN LEU 44 4.163 6.706 -2.825
341 HA LEU 44 HA LEU 44 2.058 5.665 -4.366
342 HB2 LEU 44 HB2 LEU 44 1.111 7.781 -4.285
343 HB3 LEU 44 HB1 LEU 44 2.094 7.727 -2.836
344 HG LEU 44 HG LEU 44 3.879 8.877 -4.425
345 HD11 LEU 44 HD11 LEU 44 3.100 9.460 -6.419
346 HD12 LEU 44 HD12 LEU 44 1.962 10.542 -5.619
347 HD13 LEU 44 HD13 LEU 44 1.484 8.889 -6.005
348 HD21 LEU 44 HD21 LEU 44 1.733 10.717 -3.536
349 HD22 LEU 44 HD22 LEU 44 3.472 10.778 -3.249
350 HD23 LEU 44 HD23 LEU 44 2.463 9.671 -2.318
351 H ILE 45 HN ILE 45 2.017 5.154 -6.435
352 HA ILE 45 HA ILE 45 2.600 4.973 -8.633
353 HB ILE 45 HB ILE 45 3.032 7.951 -8.561
354 HG12 ILE 45 HG12 ILE 45 0.973 7.480 -7.328
355 HG13 ILE 45 HG11 ILE 45 0.599 8.202 -8.889
356 HG21 ILE 45 HG21 ILE 45 3.129 6.113 -10.618
357 HG22 ILE 45 HG22 ILE 45 2.931 7.857 -10.786
358 HG23 ILE 45 HG23 ILE 45 1.515 6.808 -10.758
359 HD11 ILE 45 HD11 ILE 45 0.030 6.014 -9.778
360 HD12 ILE 45 HD12 ILE 45 -0.922 6.381 -8.340
361 HD13 ILE 45 HD13 ILE 45 0.442 5.269 -8.234
Start of MODEL 2
1 H1 ARG 1 HT1 ARG 1 -13.429 0.448 6.529
2 H2 ARG 1 HT2 ARG 1 -13.598 -0.512 7.942
3 H3 ARG 1 HT3 ARG 1 -12.090 -0.440 7.125
4 HA ARG 1 HA ARG 1 -13.387 1.931 8.262
5 HB2 ARG 1 HB2 ARG 1 -11.835 -0.260 9.554
6 HB3 ARG 1 HB1 ARG 1 -11.490 1.388 10.062
7 HG2 ARG 1 HG2 ARG 1 -13.136 1.024 11.534
8 HG3 ARG 1 HG1 ARG 1 -14.192 1.387 10.167
9 HD2 ARG 1 HD2 ARG 1 -14.805 -0.688 11.399
10 HD3 ARG 1 HD1 ARG 1 -14.476 -0.941 9.685
11 HE ARG 1 HE ARG 1 -12.752 -2.309 10.275
12 HH11 ARG 1 HH11 ARG 1 -13.520 -0.276 13.005
13 HH12 ARG 1 HH12 ARG 1 -12.419 -1.080 14.073
14 HH21 ARG 1 HH21 ARG 1 -11.304 -3.368 11.678
15 HH22 ARG 1 HH22 ARG 1 -11.161 -2.835 13.320
16 H GLN 2 HN GLN 2 -12.050 1.680 5.771
17 HA GLN 2 HA GLN 2 -9.343 2.661 6.241
18 HB2 GLN 2 HB2 GLN 2 -9.238 2.632 3.708
19 HB3 GLN 2 HB1 GLN 2 -9.450 1.071 4.488
20 HG2 GLN 2 HG2 GLN 2 -11.495 0.756 3.611
21 HG3 GLN 2 HG1 GLN 2 -11.931 2.460 3.739
22 HE21 GLN 2 HE21 GLN 2 -12.822 2.340 1.641
23 HE22 GLN 2 HE22 GLN 2 -11.812 2.368 0.240
24 HA PRO 3 HA PRO 3 -10.477 6.865 5.310
25 HB2 PRO 3 HB2 PRO 3 -7.989 7.719 4.424
26 HB3 PRO 3 HB1 PRO 3 -8.443 7.523 6.122
27 HG2 PRO 3 HG2 PRO 3 -6.523 6.014 4.644
28 HG3 PRO 3 HG1 PRO 3 -7.037 5.767 6.319
29 HD2 PRO 3 HD2 PRO 3 -7.898 4.366 3.842
30 HD3 PRO 3 HD1 PRO 3 -7.866 3.784 5.528
31 H ARG 4 HN ARG 4 -10.670 8.461 3.505
32 HA ARG 4 HA ARG 4 -11.457 7.370 1.095
33 HB2 ARG 4 HB2 ARG 4 -10.269 10.098 1.648
34 HB3 ARG 4 HB1 ARG 4 -10.986 9.653 0.105
35 HG2 ARG 4 HG2 ARG 4 -13.035 9.008 1.629
36 HG3 ARG 4 HG1 ARG 4 -12.284 10.170 2.725
37 HD2 ARG 4 HD2 ARG 4 -12.175 11.549 0.411
38 HD3 ARG 4 HD1 ARG 4 -13.631 10.594 0.136
39 HE ARG 4 HE ARG 4 -14.712 11.935 1.624
40 HH11 ARG 4 HH11 ARG 4 -11.286 12.157 2.250
41 HH12 ARG 4 HH12 ARG 4 -11.459 13.380 3.463
42 HH21 ARG 4 HH21 ARG 4 -14.942 13.544 3.220
43 HH22 ARG 4 HH22 ARG 4 -13.535 14.167 4.015
44 HA PRO 5 HA PRO 5 -7.269 6.271 -0.189
45 HB2 PRO 5 HB2 PRO 5 -7.814 3.949 -1.314
46 HB3 PRO 5 HB1 PRO 5 -7.985 4.143 0.431
47 HG2 PRO 5 HG2 PRO 5 -10.108 4.164 -1.682
48 HG3 PRO 5 HG1 PRO 5 -10.112 3.365 -0.099
49 HD2 PRO 5 HD2 PRO 5 -11.259 5.843 -0.661
50 HD3 PRO 5 HD1 PRO 5 -10.841 5.248 0.959
51 H ALA 6 HN ALA 6 -6.196 6.830 -1.988
52 HA ALA 6 HA ALA 6 -7.777 7.506 -4.365
53 HB1 ALA 6 HB1 ALA 6 -6.402 9.255 -4.715
54 HB2 ALA 6 HB2 ALA 6 -4.961 8.345 -4.261
55 HB3 ALA 6 HB3 ALA 6 -6.000 9.033 -3.012
56 H LYS 7 HN LYS 7 -5.584 7.567 -6.188
57 HA LYS 7 HA LYS 7 -5.264 4.683 -6.603
58 HB2 LYS 7 HB2 LYS 7 -6.285 5.786 -8.469
59 HB3 LYS 7 HB1 LYS 7 -5.049 7.040 -8.479
60 HG2 LYS 7 HG2 LYS 7 -4.338 4.161 -8.966
61 HG3 LYS 7 HG1 LYS 7 -4.965 5.180 -10.264
62 HD2 LYS 7 HD2 LYS 7 -2.398 5.476 -8.717
63 HD3 LYS 7 HD1 LYS 7 -2.623 5.310 -10.455
64 HE2 LYS 7 HE2 LYS 7 -4.007 7.583 -10.007
65 HE3 LYS 7 HE1 LYS 7 -2.788 7.701 -8.736
66 HZ1 LYS 7 HZ1 LYS 7 -1.249 8.228 -10.225
67 HZ2 LYS 7 HZ2 LYS 7 -2.476 8.371 -11.380
68 HZ3 LYS 7 HZ3 LYS 7 -1.634 6.913 -11.219
69 H TYR 8 HN TYR 8 -3.363 3.724 -6.485
70 HA TYR 8 HA TYR 8 -0.885 5.206 -6.753
71 HB2 TYR 8 HB2 TYR 8 -1.684 3.763 -4.219
72 HB3 TYR 8 HB1 TYR 8 -0.014 4.188 -4.604
73 HD1 TYR 8 HD1 TYR 8 -0.450 6.871 -5.834
74 HD2 TYR 8 HD2 TYR 8 -2.131 5.113 -2.345
75 HE1 TYR 8 HE1 TYR 8 -0.818 9.106 -4.899
76 HE2 TYR 8 HE2 TYR 8 -2.499 7.350 -1.391
77 HH TYR 8 HH TYR 8 -1.057 9.963 -2.216
78 H LYS 9 HN LYS 9 1.017 3.628 -6.557
79 HA LYS 9 HA LYS 9 0.195 1.087 -7.794
80 HB2 LYS 9 HB2 LYS 9 1.283 2.516 -9.407
81 HB3 LYS 9 HB1 LYS 9 2.641 2.777 -8.319
82 HG2 LYS 9 HG2 LYS 9 3.643 1.124 -9.410
83 HG3 LYS 9 HG1 LYS 9 2.548 0.040 -8.550
84 HD2 LYS 9 HD2 LYS 9 2.043 1.278 -11.256
85 HD3 LYS 9 HD1 LYS 9 2.532 -0.392 -10.962
86 HE2 LYS 9 HE2 LYS 9 0.323 -0.803 -11.016
87 HE3 LYS 9 HE1 LYS 9 0.356 -0.204 -9.358
88 HZ1 LYS 9 HZ1 LYS 9 -0.618 1.744 -9.943
89 HZ2 LYS 9 HZ2 LYS 9 -1.283 0.769 -11.154
90 HZ3 LYS 9 HZ3 LYS 9 0.043 1.759 -11.501
91 H PHE 10 HN PHE 10 0.698 -0.670 -6.754
92 HA PHE 10 HA PHE 10 3.120 -1.002 -5.249
93 HB2 PHE 10 HB2 PHE 10 2.363 -0.760 -3.129
94 HB3 PHE 10 HB1 PHE 10 1.019 0.122 -3.845
95 HD1 PHE 10 HD1 PHE 10 -0.648 -1.886 -5.010
96 HD2 PHE 10 HD2 PHE 10 1.574 -2.043 -1.390
97 HE1 PHE 10 HE1 PHE 10 -2.204 -3.576 -4.143
98 HE2 PHE 10 HE2 PHE 10 0.018 -3.738 -0.511
99 HZ PHE 10 HZ PHE 10 -1.870 -4.509 -1.895
100 H THR 11 HN THR 11 2.974 -3.257 -4.080
101 HA THR 11 HA THR 11 1.451 -5.068 -5.839
102 HB THR 11 HB THR 11 4.132 -5.617 -4.551
103 HG1 THR 11 HG1 THR 11 5.011 -5.219 -6.504
104 HG21 THR 11 HG21 THR 11 3.216 -7.208 -6.843
105 HG22 THR 11 HG22 THR 11 2.371 -7.494 -5.321
106 HG23 THR 11 HG23 THR 11 4.122 -7.688 -5.407
107 H ASP 12 HN ASP 12 -0.179 -5.965 -4.742
108 HA ASP 12 HA ASP 12 -0.595 -6.031 -1.995
109 HB2 ASP 12 HB2 ASP 12 -1.545 -7.992 -4.102
110 HB3 ASP 12 HB1 ASP 12 -2.188 -7.887 -2.466
111 H VAL 13 HN VAL 13 -0.881 -8.292 -0.818
112 HA VAL 13 HA VAL 13 1.774 -9.363 -0.569
113 HB VAL 13 HB VAL 13 0.383 -8.938 1.424
114 HG11 VAL 13 HG11 VAL 13 -1.775 -9.523 0.513
115 HG12 VAL 13 HG12 VAL 13 -1.446 -10.517 1.935
116 HG13 VAL 13 HG13 VAL 13 -1.274 -11.203 0.319
117 HG21 VAL 13 HG21 VAL 13 2.106 -11.007 0.984
118 HG22 VAL 13 HG22 VAL 13 0.682 -11.850 1.596
119 HG23 VAL 13 HG23 VAL 13 1.431 -10.572 2.555
120 H ASN 14 HN ASN 14 -0.867 -10.118 -2.464
121 HA ASN 14 HA ASN 14 -0.229 -12.967 -2.580
122 HB2 ASN 14 HB2 ASN 14 -2.604 -11.682 -2.512
123 HB3 ASN 14 HB1 ASN 14 -2.398 -11.883 -4.254
124 HD21 ASN 14 HD21 ASN 14 -2.026 -13.742 -1.253
125 HD22 ASN 14 HD22 ASN 14 -2.706 -15.212 -1.878
126 H GLY 15 HN GLY 15 0.879 -10.248 -4.030
127 HA2 GLY 15 HA2 GLY 15 2.513 -10.477 -5.791
128 HA3 GLY 15 HA1 GLY 15 1.510 -11.742 -6.494
129 H GLU 16 HN GLU 16 -0.862 -9.839 -5.841
130 HA GLU 16 HA GLU 16 -1.074 -8.752 -8.446
131 HB2 GLU 16 HB2 GLU 16 -2.696 -7.865 -6.065
132 HB3 GLU 16 HB1 GLU 16 -3.173 -7.877 -7.757
133 HG2 GLU 16 HG2 GLU 16 -2.626 -10.506 -7.328
134 HG3 GLU 16 HG1 GLU 16 -3.255 -10.009 -5.758
135 H THR 17 HN THR 17 -1.504 -6.394 -8.872
136 HA THR 17 HA THR 17 -0.016 -4.605 -7.112
137 HB THR 17 HB THR 17 0.574 -4.937 -10.058
138 HG1 THR 17 HG1 THR 17 1.931 -6.321 -9.277
139 HG21 THR 17 HG21 THR 17 0.796 -2.588 -8.659
140 HG22 THR 17 HG22 THR 17 1.692 -3.021 -10.115
141 HG23 THR 17 HG23 THR 17 2.408 -3.291 -8.526
142 H LYS 18 HN LYS 18 -1.700 -3.318 -6.584
143 HA LYS 18 HA LYS 18 -2.913 -1.783 -8.767
144 HB2 LYS 18 HB2 LYS 18 -4.269 -3.798 -7.402
145 HB3 LYS 18 HB1 LYS 18 -4.821 -2.304 -6.636
146 HG2 LYS 18 HG2 LYS 18 -6.283 -2.153 -8.301
147 HG3 LYS 18 HG1 LYS 18 -4.915 -1.694 -9.320
148 HD2 LYS 18 HD2 LYS 18 -5.948 -4.502 -8.894
149 HD3 LYS 18 HD1 LYS 18 -6.212 -3.512 -10.331
150 HE2 LYS 18 HE2 LYS 18 -3.714 -3.409 -10.586
151 HE3 LYS 18 HE1 LYS 18 -3.603 -4.610 -9.299
152 HZ1 LYS 18 HZ1 LYS 18 -5.205 -5.061 -11.749
153 HZ2 LYS 18 HZ2 LYS 18 -4.681 -6.204 -10.618
154 HZ3 LYS 18 HZ3 LYS 18 -3.565 -5.470 -11.656
155 H THR 19 HN THR 19 -4.750 -0.407 -7.065
156 HA THR 19 HA THR 19 -2.955 1.527 -5.928
157 HB THR 19 HB THR 19 -4.927 2.871 -5.592
158 HG1 THR 19 HG1 THR 19 -6.963 2.039 -5.901
159 HG21 THR 19 HG21 THR 19 -5.373 1.435 -8.152
160 HG22 THR 19 HG22 THR 19 -3.925 2.402 -7.873
161 HG23 THR 19 HG23 THR 19 -5.524 3.157 -7.799
162 H TRP 20 HN TRP 20 -2.342 1.690 -3.939
163 HA TRP 20 HA TRP 20 -3.950 0.503 -1.829
164 HB2 TRP 20 HB2 TRP 20 -2.371 -1.099 -3.037
165 HB3 TRP 20 HB1 TRP 20 -1.083 -0.263 -2.184
166 HD1 TRP 20 HD1 TRP 20 -4.097 -2.556 -1.516
167 HE1 TRP 20 HE1 TRP 20 -3.796 -3.641 0.795
168 HE3 TRP 20 HE3 TRP 20 0.028 0.000 0.033
169 HZ2 TRP 20 HZ2 TRP 20 -2.042 -3.433 2.995
170 HZ3 TRP 20 HZ3 TRP 20 0.966 -0.503 2.252
171 HH2 TRP 20 HH2 TRP 20 -0.050 -2.188 3.702
172 H THR 21 HN THR 21 -3.844 1.606 -0.003
173 HA THR 21 HA THR 21 -1.544 3.358 0.513
174 HB THR 21 HB THR 21 -3.481 4.695 -0.335
175 HG1 THR 21 HG1 THR 21 -2.899 5.137 2.404
176 HG21 THR 21 HG21 THR 21 -5.276 3.274 0.649
177 HG22 THR 21 HG22 THR 21 -5.454 5.003 0.945
178 HG23 THR 21 HG23 THR 21 -4.861 3.946 2.226
179 H GLY 22 HN GLY 22 -4.416 1.797 1.798
180 HA2 GLY 22 HA2 GLY 22 -3.014 0.634 3.999
181 HA3 GLY 22 HA1 GLY 22 -4.073 1.955 4.508
182 H GLN 23 HN GLN 23 -4.172 -0.896 2.356
183 HA GLN 23 HA GLN 23 -7.011 -1.153 2.637
184 HB2 GLN 23 HB2 GLN 23 -5.221 -1.941 0.736
185 HB3 GLN 23 HB1 GLN 23 -5.511 -3.464 1.559
186 HG2 GLN 23 HG2 GLN 23 -8.043 -2.559 1.266
187 HG3 GLN 23 HG1 GLN 23 -7.273 -1.880 -0.167
188 HE21 GLN 23 HE21 GLN 23 -9.249 -4.103 0.298
189 HE22 GLN 23 HE22 GLN 23 -8.591 -5.449 -0.563
190 H GLY 24 HN GLY 24 -4.688 -3.784 3.116
191 HA2 GLY 24 HA2 GLY 24 -5.342 -4.213 5.856
192 HA3 GLY 24 HA1 GLY 24 -6.244 -5.311 4.807
193 H ARG 25 HN ARG 25 -4.716 -6.216 2.976
194 HA ARG 25 HA ARG 25 -2.792 -7.836 4.291
195 HB2 ARG 25 HB2 ARG 25 -2.460 -8.880 2.223
196 HB3 ARG 25 HB1 ARG 25 -4.131 -8.351 2.140
197 HG2 ARG 25 HG2 ARG 25 -3.045 -6.231 1.007
198 HG3 ARG 25 HG1 ARG 25 -1.747 -7.375 0.650
199 HD2 ARG 25 HD2 ARG 25 -3.484 -7.172 -1.138
200 HD3 ARG 25 HD1 ARG 25 -3.248 -8.810 -0.532
201 HE ARG 25 HE ARG 25 -5.350 -7.449 0.836
202 HH11 ARG 25 HH11 ARG 25 -4.575 -9.193 -2.086
203 HH12 ARG 25 HH12 ARG 25 -6.206 -9.707 -2.360
204 HH21 ARG 25 HH21 ARG 25 -7.495 -8.125 0.478
205 HH22 ARG 25 HH22 ARG 25 -7.864 -9.101 -0.905
206 H THR 26 HN THR 26 -0.766 -7.276 4.837
207 HA THR 26 HA THR 26 0.365 -4.913 3.531
208 HB THR 26 HB THR 26 1.927 -5.858 5.757
209 HG1 THR 26 HG1 THR 26 0.039 -6.715 6.581
210 HG21 THR 26 HG21 THR 26 1.592 -3.496 4.708
211 HG22 THR 26 HG22 THR 26 1.889 -3.673 6.439
212 HG23 THR 26 HG23 THR 26 0.248 -3.402 5.847
213 HA PRO 27 HA PRO 27 2.479 -8.289 1.203
214 HB2 PRO 27 HB2 PRO 27 3.698 -6.158 -0.265
215 HB3 PRO 27 HB1 PRO 27 2.423 -7.251 -0.807
216 HG2 PRO 27 HG2 PRO 27 2.231 -4.502 0.275
217 HG3 PRO 27 HG1 PRO 27 1.150 -5.352 -0.837
218 HD2 PRO 27 HD2 PRO 27 0.454 -4.890 1.699
219 HD3 PRO 27 HD1 PRO 27 0.005 -6.403 0.881
220 H LYS 28 HN LYS 28 4.558 -8.995 1.407
221 HA LYS 28 HA LYS 28 6.054 -8.405 3.574
222 HB2 LYS 28 HB2 LYS 28 7.338 -9.241 0.983
223 HB3 LYS 28 HB1 LYS 28 7.843 -9.639 2.619
224 HG2 LYS 28 HG2 LYS 28 5.644 -10.787 0.979
225 HG3 LYS 28 HG1 LYS 28 6.841 -11.596 1.988
226 HD2 LYS 28 HD2 LYS 28 5.524 -10.285 3.904
227 HD3 LYS 28 HD1 LYS 28 4.216 -10.405 2.725
228 HE2 LYS 28 HE2 LYS 28 4.690 -12.865 2.596
229 HE3 LYS 28 HE1 LYS 28 5.802 -12.658 3.948
230 HZ1 LYS 28 HZ1 LYS 28 3.106 -11.604 4.289
231 HZ2 LYS 28 HZ2 LYS 28 4.118 -12.370 5.407
232 HZ3 LYS 28 HZ3 LYS 28 3.264 -13.289 4.274
233 HA PRO 29 HA PRO 29 8.965 -5.362 1.117
234 HB2 PRO 29 HB2 PRO 29 7.691 -4.086 -0.975
235 HB3 PRO 29 HB1 PRO 29 8.806 -5.453 -1.155
236 HG2 PRO 29 HG2 PRO 29 5.815 -5.431 -1.131
237 HG3 PRO 29 HG1 PRO 29 6.924 -6.372 -2.145
238 HD2 PRO 29 HD2 PRO 29 5.664 -7.465 -0.042
239 HD3 PRO 29 HD1 PRO 29 7.322 -7.933 -0.480
240 H ILE 30 HN ILE 30 5.582 -4.385 0.539
241 HA ILE 30 HA ILE 30 5.854 -1.770 1.502
242 HB ILE 30 HB ILE 30 3.354 -3.460 1.494
243 HG12 ILE 30 HG12 ILE 30 4.850 -2.976 -0.687
244 HG13 ILE 30 HG11 ILE 30 3.095 -3.067 -0.738
245 HG21 ILE 30 HG21 ILE 30 2.432 -1.017 1.072
246 HG22 ILE 30 HG22 ILE 30 3.890 -0.578 1.961
247 HG23 ILE 30 HG23 ILE 30 2.694 -1.644 2.699
248 HD11 ILE 30 HD11 ILE 30 4.723 -0.545 -0.541
249 HD12 ILE 30 HD12 ILE 30 2.963 -0.637 -0.604
250 HD13 ILE 30 HD13 ILE 30 3.925 -1.159 -1.989
251 H ALA 31 HN ALA 31 5.219 -4.788 3.151
252 HA ALA 31 HA ALA 31 4.178 -3.883 5.556
253 HB1 ALA 31 HB1 ALA 31 5.614 -5.956 6.432
254 HB2 ALA 31 HB2 ALA 31 5.695 -6.276 4.700
255 HB3 ALA 31 HB3 ALA 31 4.129 -6.150 5.501
256 H GLN 32 HN GLN 32 7.578 -4.240 4.594
257 HA GLN 32 HA GLN 32 8.694 -3.433 7.048
258 HB2 GLN 32 HB2 GLN 32 9.881 -3.080 4.291
259 HB3 GLN 32 HB1 GLN 32 10.759 -3.105 5.814
260 HG2 GLN 32 HG2 GLN 32 10.498 -5.386 6.080
261 HG3 GLN 32 HG1 GLN 32 9.114 -5.456 4.990
262 HE21 GLN 32 HE21 GLN 32 12.216 -3.878 4.452
263 HE22 GLN 32 HE22 GLN 32 12.689 -4.859 3.111
264 H ALA 33 HN ALA 33 7.846 -1.616 4.123
265 HA ALA 33 HA ALA 33 8.809 0.885 5.027
266 HB1 ALA 33 HB1 ALA 33 8.439 0.539 2.689
267 HB2 ALA 33 HB2 ALA 33 7.361 1.824 3.231
268 HB3 ALA 33 HB3 ALA 33 6.730 0.200 2.958
269 H LEU 34 HN LEU 34 5.542 -0.527 5.041
270 HA LEU 34 HA LEU 34 4.331 1.702 6.320
271 HB2 LEU 34 HB2 LEU 34 3.531 -1.035 5.553
272 HB3 LEU 34 HB1 LEU 34 2.637 -0.328 6.886
273 HG LEU 34 HG LEU 34 2.896 0.808 4.103
274 HD11 LEU 34 HD11 LEU 34 0.422 0.450 4.104
275 HD12 LEU 34 HD12 LEU 34 0.615 -0.457 5.606
276 HD13 LEU 34 HD13 LEU 34 1.384 -1.029 4.126
277 HD21 LEU 34 HD21 LEU 34 2.425 2.792 4.980
278 HD22 LEU 34 HD22 LEU 34 2.318 2.101 6.598
279 HD23 LEU 34 HD23 LEU 34 0.894 2.135 5.558
280 H ALA 35 HN ALA 35 5.627 -1.369 7.482
281 HA ALA 35 HA ALA 35 4.777 -1.170 10.147
282 HB1 ALA 35 HB1 ALA 35 6.495 -2.815 10.654
283 HB2 ALA 35 HB2 ALA 35 7.263 -2.515 9.095
284 HB3 ALA 35 HB3 ALA 35 5.655 -3.236 9.162
285 H GLU 36 HN GLU 36 7.255 0.501 8.430
286 HA GLU 36 HA GLU 36 8.833 1.214 10.708
287 HB2 GLU 36 HB2 GLU 36 8.738 2.018 7.835
288 HB3 GLU 36 HB1 GLU 36 9.582 3.065 8.968
289 HG2 GLU 36 HG2 GLU 36 10.169 0.170 8.390
290 HG3 GLU 36 HG1 GLU 36 11.154 1.572 7.953
291 H GLY 37 HN GLY 37 5.836 2.272 9.494
292 HA2 GLY 37 HA2 GLY 37 4.526 3.723 10.934
293 HA3 GLY 37 HA1 GLY 37 5.992 4.654 11.229
294 H LYS 38 HN LYS 38 6.278 4.062 8.084
295 HA LYS 38 HA LYS 38 5.116 6.633 7.371
296 HB2 LYS 38 HB2 LYS 38 6.759 4.809 5.612
297 HB3 LYS 38 HB1 LYS 38 6.461 6.538 5.397
298 HG2 LYS 38 HG2 LYS 38 7.845 5.575 7.861
299 HG3 LYS 38 HG1 LYS 38 8.737 5.698 6.343
300 HD2 LYS 38 HD2 LYS 38 7.120 7.966 7.485
301 HD3 LYS 38 HD1 LYS 38 8.830 7.726 7.849
302 HE2 LYS 38 HE2 LYS 38 8.029 7.715 4.995
303 HE3 LYS 38 HE1 LYS 38 7.985 9.262 5.839
304 HZ1 LYS 38 HZ1 LYS 38 10.161 8.296 4.669
305 HZ2 LYS 38 HZ2 LYS 38 10.383 7.667 6.224
306 HZ3 LYS 38 HZ3 LYS 38 10.215 9.336 6.004
307 H SER 39 HN SER 39 3.792 6.930 5.514
308 HA SER 39 HA SER 39 1.927 4.723 5.097
309 HB2 SER 39 HB2 SER 39 1.265 7.174 5.603
310 HB3 SER 39 HB1 SER 39 1.670 7.483 3.906
311 HG SER 39 HG SER 39 -0.145 5.473 4.755
312 H LEU 40 HN LEU 40 0.977 4.766 2.739
313 HA LEU 40 HA LEU 40 2.983 3.747 1.044
314 HB2 LEU 40 HB2 LEU 40 0.084 4.289 0.853
315 HB3 LEU 40 HB1 LEU 40 0.955 4.118 -0.662
316 HG LEU 40 HG LEU 40 -0.013 1.999 0.036
317 HD11 LEU 40 HD11 LEU 40 2.797 2.473 -0.439
318 HD12 LEU 40 HD12 LEU 40 1.738 1.225 -1.098
319 HD13 LEU 40 HD13 LEU 40 2.530 0.978 0.459
320 HD21 LEU 40 HD21 LEU 40 1.712 1.340 2.212
321 HD22 LEU 40 HD22 LEU 40 -0.049 1.352 2.156
322 HD23 LEU 40 HD23 LEU 40 0.826 2.813 2.601
323 H ASP 41 HN ASP 41 2.006 6.922 1.628
324 HA ASP 41 HA ASP 41 2.223 8.206 -0.803
325 HB2 ASP 41 HB2 ASP 41 2.726 9.007 2.019
326 HB3 ASP 41 HB1 ASP 41 3.308 10.083 0.752
327 H ASP 42 HN ASP 42 4.708 6.705 1.077
328 HA ASP 42 HA ASP 42 6.927 8.087 -0.041
329 HB2 ASP 42 HB2 ASP 42 6.915 6.731 2.106
330 HB3 ASP 42 HB1 ASP 42 6.955 5.286 1.092
331 H PHE 43 HN PHE 43 5.152 5.168 -0.910
332 HA PHE 43 HA PHE 43 6.833 4.915 -3.315
333 HB2 PHE 43 HB2 PHE 43 5.012 2.783 -2.191
334 HB3 PHE 43 HB1 PHE 43 6.274 2.597 -3.410
335 HD1 PHE 43 HD1 PHE 43 8.228 4.449 -1.735
336 HD2 PHE 43 HD2 PHE 43 5.935 0.967 -0.883
337 HE1 PHE 43 HE1 PHE 43 9.832 3.828 0.024
338 HE2 PHE 43 HE2 PHE 43 7.535 0.340 0.877
339 HZ PHE 43 HZ PHE 43 9.486 1.772 1.334
340 H LEU 44 HN LEU 44 4.395 6.655 -2.782
341 HA LEU 44 HA LEU 44 2.197 5.660 -4.204
342 HB2 LEU 44 HB2 LEU 44 1.308 7.799 -4.098
343 HB3 LEU 44 HB1 LEU 44 2.372 7.741 -2.709
344 HG LEU 44 HG LEU 44 4.094 8.833 -4.387
345 HD11 LEU 44 HD11 LEU 44 2.402 10.541 -5.644
346 HD12 LEU 44 HD12 LEU 44 1.511 9.024 -5.767
347 HD13 LEU 44 HD13 LEU 44 3.152 9.137 -6.403
348 HD21 LEU 44 HD21 LEU 44 1.914 10.612 -3.372
349 HD22 LEU 44 HD22 LEU 44 3.658 10.874 -3.378
350 HD23 LEU 44 HD23 LEU 44 2.943 9.724 -2.248
351 H ILE 45 HN ILE 45 1.785 5.397 -6.299
352 HA ILE 45 HA ILE 45 2.201 5.173 -8.535
353 HB ILE 45 HB ILE 45 3.035 8.065 -8.324
354 HG12 ILE 45 HG12 ILE 45 0.906 7.762 -7.185
355 HG13 ILE 45 HG11 ILE 45 0.643 8.579 -8.723
356 HG21 ILE 45 HG21 ILE 45 3.471 6.964 -10.485
357 HG22 ILE 45 HG22 ILE 45 2.257 8.237 -10.608
358 HG23 ILE 45 HG23 ILE 45 1.762 6.544 -10.594
359 HD11 ILE 45 HD11 ILE 45 0.267 5.625 -8.325
360 HD12 ILE 45 HD12 ILE 45 -0.218 6.599 -9.713
361 HD13 ILE 45 HD13 ILE 45 -1.024 6.814 -8.159
Start of MODEL 3
1 H1 ARG 1 HT1 ARG 1 -9.844 0.528 9.194
2 H2 ARG 1 HT2 ARG 1 -8.594 1.626 8.773
3 H3 ARG 1 HT3 ARG 1 -8.461 0.676 10.196
4 HA ARG 1 HA ARG 1 -7.096 -0.358 8.705
5 HB2 ARG 1 HB2 ARG 1 -8.864 -1.746 9.900
6 HB3 ARG 1 HB1 ARG 1 -9.741 -1.775 8.376
7 HG2 ARG 1 HG2 ARG 1 -7.833 -2.865 7.302
8 HG3 ARG 1 HG1 ARG 1 -6.965 -2.847 8.838
9 HD2 ARG 1 HD2 ARG 1 -9.675 -4.094 8.678
10 HD3 ARG 1 HD1 ARG 1 -8.270 -4.981 8.088
11 HE ARG 1 HE ARG 1 -9.009 -4.609 10.788
12 HH11 ARG 1 HH11 ARG 1 -6.196 -4.689 8.724
13 HH12 ARG 1 HH12 ARG 1 -5.130 -5.208 9.986
14 HH21 ARG 1 HH21 ARG 1 -7.608 -5.292 12.449
15 HH22 ARG 1 HH22 ARG 1 -5.931 -5.551 12.101
16 H GLN 2 HN GLN 2 -10.047 0.780 7.218
17 HA GLN 2 HA GLN 2 -8.696 0.758 4.620
18 HB2 GLN 2 HB2 GLN 2 -11.495 -0.273 5.113
19 HB3 GLN 2 HB1 GLN 2 -10.799 0.009 3.523
20 HG2 GLN 2 HG2 GLN 2 -8.949 -1.608 4.285
21 HG3 GLN 2 HG1 GLN 2 -10.090 -2.076 5.545
22 HE21 GLN 2 HE21 GLN 2 -9.756 -1.724 2.048
23 HE22 GLN 2 HE22 GLN 2 -10.835 -3.008 1.635
24 HA PRO 3 HA PRO 3 -10.749 4.803 5.129
25 HB2 PRO 3 HB2 PRO 3 -8.432 6.221 4.539
26 HB3 PRO 3 HB1 PRO 3 -8.972 5.796 6.169
27 HG2 PRO 3 HG2 PRO 3 -6.662 4.840 4.799
28 HG3 PRO 3 HG1 PRO 3 -7.259 4.340 6.388
29 HD2 PRO 3 HD2 PRO 3 -7.591 3.034 3.735
30 HD3 PRO 3 HD1 PRO 3 -7.572 2.312 5.367
31 H ARG 4 HN ARG 4 -11.161 6.468 3.437
32 HA ARG 4 HA ARG 4 -11.502 5.467 0.890
33 HB2 ARG 4 HB2 ARG 4 -11.202 8.248 1.959
34 HB3 ARG 4 HB1 ARG 4 -11.220 8.013 0.217
35 HG2 ARG 4 HG2 ARG 4 -13.376 6.996 2.050
36 HG3 ARG 4 HG1 ARG 4 -13.430 8.566 1.246
37 HD2 ARG 4 HD2 ARG 4 -13.604 7.613 -0.870
38 HD3 ARG 4 HD1 ARG 4 -12.978 6.058 -0.326
39 HE ARG 4 HE ARG 4 -15.704 6.963 -0.226
40 HH11 ARG 4 HH11 ARG 4 -13.361 4.781 1.164
41 HH12 ARG 4 HH12 ARG 4 -14.555 3.665 1.736
42 HH21 ARG 4 HH21 ARG 4 -17.275 5.495 0.526
43 HH22 ARG 4 HH22 ARG 4 -16.777 4.070 1.374
44 HA PRO 5 HA PRO 5 -7.093 5.417 -0.087
45 HB2 PRO 5 HB2 PRO 5 -7.023 3.134 -1.404
46 HB3 PRO 5 HB1 PRO 5 -7.369 3.138 0.325
47 HG2 PRO 5 HG2 PRO 5 -9.274 2.889 -1.974
48 HG3 PRO 5 HG1 PRO 5 -9.222 1.968 -0.459
49 HD2 PRO 5 HD2 PRO 5 -10.842 4.183 -0.947
50 HD3 PRO 5 HD1 PRO 5 -10.425 3.549 0.658
51 H ALA 6 HN ALA 6 -6.261 6.669 -1.622
52 HA ALA 6 HA ALA 6 -7.733 7.295 -4.007
53 HB1 ALA 6 HB1 ALA 6 -6.198 9.002 -4.353
54 HB2 ALA 6 HB2 ALA 6 -4.903 8.139 -3.524
55 HB3 ALA 6 HB3 ALA 6 -6.224 8.849 -2.596
56 H LYS 7 HN LYS 7 -5.571 7.636 -5.838
57 HA LYS 7 HA LYS 7 -5.183 4.831 -6.592
58 HB2 LYS 7 HB2 LYS 7 -6.267 6.241 -8.265
59 HB3 LYS 7 HB1 LYS 7 -4.904 7.357 -8.228
60 HG2 LYS 7 HG2 LYS 7 -4.498 4.471 -8.944
61 HG3 LYS 7 HG1 LYS 7 -5.081 5.631 -10.145
62 HD2 LYS 7 HD2 LYS 7 -2.460 5.682 -8.646
63 HD3 LYS 7 HD1 LYS 7 -2.712 5.494 -10.379
64 HE2 LYS 7 HE2 LYS 7 -3.961 7.882 -9.835
65 HE3 LYS 7 HE1 LYS 7 -2.566 7.913 -8.754
66 HZ1 LYS 7 HZ1 LYS 7 -1.980 8.881 -10.853
67 HZ2 LYS 7 HZ2 LYS 7 -2.516 7.517 -11.698
68 HZ3 LYS 7 HZ3 LYS 7 -1.159 7.410 -10.693
69 H TYR 8 HN TYR 8 -3.277 3.911 -6.522
70 HA TYR 8 HA TYR 8 -0.820 5.394 -6.779
71 HB2 TYR 8 HB2 TYR 8 -1.619 4.038 -4.204
72 HB3 TYR 8 HB1 TYR 8 0.073 4.314 -4.631
73 HD1 TYR 8 HD1 TYR 8 -0.177 6.991 -5.931
74 HD2 TYR 8 HD2 TYR 8 -1.904 5.465 -2.356
75 HE1 TYR 8 HE1 TYR 8 -0.333 9.272 -5.045
76 HE2 TYR 8 HE2 TYR 8 -2.061 7.748 -1.453
77 HH TYR 8 HH TYR 8 -0.416 10.239 -2.453
78 H LYS 9 HN LYS 9 1.083 3.806 -6.600
79 HA LYS 9 HA LYS 9 0.221 1.261 -7.801
80 HB2 LYS 9 HB2 LYS 9 1.300 2.658 -9.445
81 HB3 LYS 9 HB1 LYS 9 2.673 2.925 -8.378
82 HG2 LYS 9 HG2 LYS 9 3.667 1.227 -9.390
83 HG3 LYS 9 HG1 LYS 9 2.499 0.167 -8.600
84 HD2 LYS 9 HD2 LYS 9 2.063 1.499 -11.271
85 HD3 LYS 9 HD1 LYS 9 2.640 -0.156 -11.064
86 HE2 LYS 9 HE2 LYS 9 0.522 -0.486 -9.638
87 HE3 LYS 9 HE1 LYS 9 -0.043 1.004 -10.392
88 HZ1 LYS 9 HZ1 LYS 9 -0.834 -0.454 -11.901
89 HZ2 LYS 9 HZ2 LYS 9 0.318 -1.642 -11.550
90 HZ3 LYS 9 HZ3 LYS 9 0.729 -0.333 -12.538
91 H PHE 10 HN PHE 10 0.703 -0.479 -6.726
92 HA PHE 10 HA PHE 10 3.149 -0.831 -5.267
93 HB2 PHE 10 HB2 PHE 10 2.443 -0.571 -3.127
94 HB3 PHE 10 HB1 PHE 10 1.157 0.397 -3.837
95 HD1 PHE 10 HD1 PHE 10 -0.602 -1.618 -4.995
96 HD2 PHE 10 HD2 PHE 10 1.515 -1.649 -1.309
97 HE1 PHE 10 HE1 PHE 10 -2.265 -3.167 -4.064
98 HE2 PHE 10 HE2 PHE 10 -0.142 -3.208 -0.368
99 HZ PHE 10 HZ PHE 10 -2.034 -3.972 -1.752
100 H THR 11 HN THR 11 3.003 -3.061 -4.068
101 HA THR 11 HA THR 11 1.416 -4.869 -5.776
102 HB THR 11 HB THR 11 3.217 -6.564 -5.312
103 HG1 THR 11 HG1 THR 11 4.976 -6.004 -4.249
104 HG21 THR 11 HG21 THR 11 3.782 -5.932 -7.363
105 HG22 THR 11 HG22 THR 11 5.016 -4.937 -6.589
106 HG23 THR 11 HG23 THR 11 3.458 -4.232 -7.022
107 H ASP 12 HN ASP 12 -0.239 -5.680 -4.672
108 HA ASP 12 HA ASP 12 -0.624 -5.694 -1.910
109 HB2 ASP 12 HB2 ASP 12 -1.734 -7.624 -3.967
110 HB3 ASP 12 HB1 ASP 12 -2.369 -7.387 -2.342
111 H VAL 13 HN VAL 13 -1.122 -8.044 -0.854
112 HA VAL 13 HA VAL 13 1.479 -9.232 -0.537
113 HB VAL 13 HB VAL 13 0.032 -8.877 1.415
114 HG11 VAL 13 HG11 VAL 13 -1.934 -10.366 1.713
115 HG12 VAL 13 HG12 VAL 13 -1.739 -10.892 0.040
116 HG13 VAL 13 HG13 VAL 13 -2.118 -9.207 0.395
117 HG21 VAL 13 HG21 VAL 13 0.074 -11.797 1.434
118 HG22 VAL 13 HG22 VAL 13 0.935 -10.644 2.454
119 HG23 VAL 13 HG23 VAL 13 1.585 -11.080 0.874
120 H ASN 14 HN ASN 14 -1.096 -9.763 -2.596
121 HA ASN 14 HA ASN 14 -0.565 -12.623 -2.864
122 HB2 ASN 14 HB2 ASN 14 -2.886 -11.233 -2.838
123 HB3 ASN 14 HB1 ASN 14 -2.594 -11.347 -4.576
124 HD21 ASN 14 HD21 ASN 14 -2.443 -13.391 -1.676
125 HD22 ASN 14 HD22 ASN 14 -3.158 -14.790 -2.416
126 H GLY 15 HN GLY 15 0.592 -9.786 -4.134
127 HA2 GLY 15 HA2 GLY 15 2.338 -9.914 -5.796
128 HA3 GLY 15 HA1 GLY 15 1.419 -11.186 -6.596
129 H GLU 16 HN GLU 16 -1.098 -9.550 -6.198
130 HA GLU 16 HA GLU 16 -1.056 -8.265 -8.719
131 HB2 GLU 16 HB2 GLU 16 -3.311 -7.438 -8.097
132 HB3 GLU 16 HB1 GLU 16 -3.124 -9.170 -7.862
133 HG2 GLU 16 HG2 GLU 16 -2.614 -8.611 -5.428
134 HG3 GLU 16 HG1 GLU 16 -3.242 -7.006 -5.794
135 H THR 17 HN THR 17 -0.811 -6.158 -9.296
136 HA THR 17 HA THR 17 0.046 -4.327 -7.163
137 HB THR 17 HB THR 17 0.762 -4.393 -10.098
138 HG1 THR 17 HG1 THR 17 2.515 -5.352 -9.460
139 HG21 THR 17 HG21 THR 17 0.743 -2.123 -8.511
140 HG22 THR 17 HG22 THR 17 1.629 -2.360 -10.017
141 HG23 THR 17 HG23 THR 17 2.416 -2.681 -8.472
142 H LYS 18 HN LYS 18 -1.529 -2.952 -6.600
143 HA LYS 18 HA LYS 18 -2.880 -1.469 -8.727
144 HB2 LYS 18 HB2 LYS 18 -4.161 -3.529 -7.384
145 HB3 LYS 18 HB1 LYS 18 -4.712 -2.074 -6.545
146 HG2 LYS 18 HG2 LYS 18 -6.252 -2.560 -8.308
147 HG3 LYS 18 HG1 LYS 18 -5.346 -1.106 -8.743
148 HD2 LYS 18 HD2 LYS 18 -5.658 -2.756 -10.609
149 HD3 LYS 18 HD1 LYS 18 -3.982 -2.323 -10.274
150 HE2 LYS 18 HE2 LYS 18 -3.578 -4.382 -9.166
151 HE3 LYS 18 HE1 LYS 18 -5.297 -4.771 -9.119
152 HZ1 LYS 18 HZ1 LYS 18 -5.328 -5.208 -11.402
153 HZ2 LYS 18 HZ2 LYS 18 -3.897 -5.932 -10.862
154 HZ3 LYS 18 HZ3 LYS 18 -3.840 -4.449 -11.673
155 H THR 19 HN THR 19 -4.710 -0.160 -6.978
156 HA THR 19 HA THR 19 -2.922 1.790 -5.803
157 HB THR 19 HB THR 19 -4.829 3.199 -5.660
158 HG1 THR 19 HG1 THR 19 -6.308 0.811 -6.033
159 HG21 THR 19 HG21 THR 19 -3.912 2.642 -7.904
160 HG22 THR 19 HG22 THR 19 -5.574 3.249 -7.888
161 HG23 THR 19 HG23 THR 19 -5.259 1.523 -8.086
162 H TRP 20 HN TRP 20 -2.326 1.757 -3.798
163 HA TRP 20 HA TRP 20 -4.181 0.831 -1.774
164 HB2 TRP 20 HB2 TRP 20 -3.111 -1.139 -2.670
165 HB3 TRP 20 HB1 TRP 20 -1.532 -0.450 -2.358
166 HD1 TRP 20 HD1 TRP 20 -4.175 -2.537 -0.732
167 HE1 TRP 20 HE1 TRP 20 -3.517 -3.012 1.716
168 HE3 TRP 20 HE3 TRP 20 -0.326 0.746 -0.302
169 HZ2 TRP 20 HZ2 TRP 20 -1.606 -2.093 3.586
170 HZ3 TRP 20 HZ3 TRP 20 0.880 0.905 1.846
171 HH2 TRP 20 HH2 TRP 20 0.246 -0.486 3.743
172 H THR 21 HN THR 21 -3.893 1.758 0.155
173 HA THR 21 HA THR 21 -1.399 3.224 0.681
174 HB THR 21 HB THR 21 -3.180 4.807 -0.043
175 HG1 THR 21 HG1 THR 21 -2.229 6.088 1.292
176 HG21 THR 21 HG21 THR 21 -5.096 5.251 1.317
177 HG22 THR 21 HG22 THR 21 -4.628 3.996 2.465
178 HG23 THR 21 HG23 THR 21 -5.125 3.556 0.831
179 H GLY 22 HN GLY 22 -4.371 1.867 1.954
180 HA2 GLY 22 HA2 GLY 22 -3.019 0.533 4.098
181 HA3 GLY 22 HA1 GLY 22 -4.036 1.869 4.650
182 H GLN 23 HN GLN 23 -4.012 -1.321 3.193
183 HA GLN 23 HA GLN 23 -6.935 -1.378 3.302
184 HB2 GLN 23 HB2 GLN 23 -5.427 -1.937 1.161
185 HB3 GLN 23 HB1 GLN 23 -5.354 -3.517 1.926
186 HG2 GLN 23 HG2 GLN 23 -7.191 -3.840 0.654
187 HG3 GLN 23 HG1 GLN 23 -7.980 -3.138 2.065
188 HE21 GLN 23 HE21 GLN 23 -7.724 -2.998 -1.221
189 HE22 GLN 23 HE22 GLN 23 -8.346 -1.409 -1.487
190 H GLY 24 HN GLY 24 -6.588 -4.404 3.119
191 HA2 GLY 24 HA2 GLY 24 -6.332 -4.786 6.007
192 HA3 GLY 24 HA1 GLY 24 -7.100 -5.873 4.862
193 H ARG 25 HN ARG 25 -5.036 -5.926 2.939
194 HA ARG 25 HA ARG 25 -3.222 -7.756 4.278
195 HB2 ARG 25 HB2 ARG 25 -2.756 -8.647 2.191
196 HB3 ARG 25 HB1 ARG 25 -4.421 -8.130 1.999
197 HG2 ARG 25 HG2 ARG 25 -3.156 -5.912 1.157
198 HG3 ARG 25 HG1 ARG 25 -1.959 -7.131 0.711
199 HD2 ARG 25 HD2 ARG 25 -3.635 -6.591 -1.071
200 HD3 ARG 25 HD1 ARG 25 -3.544 -8.297 -0.635
201 HE ARG 25 HE ARG 25 -5.562 -6.876 0.819
202 HH11 ARG 25 HH11 ARG 25 -4.854 -8.512 -2.181
203 HH12 ARG 25 HH12 ARG 25 -6.511 -8.892 -2.510
204 HH21 ARG 25 HH21 ARG 25 -7.742 -7.375 0.388
205 HH22 ARG 25 HH22 ARG 25 -8.151 -8.246 -1.052
206 H THR 26 HN THR 26 -1.102 -7.374 4.666
207 HA THR 26 HA THR 26 -0.057 -4.783 3.748
208 HB THR 26 HB THR 26 1.271 -6.092 6.031
209 HG1 THR 26 HG1 THR 26 -1.271 -4.884 6.362
210 HG21 THR 26 HG21 THR 26 1.410 -3.632 4.953
211 HG22 THR 26 HG22 THR 26 1.813 -4.000 6.632
212 HG23 THR 26 HG23 THR 26 0.222 -3.356 6.227
213 HA PRO 27 HA PRO 27 2.242 -7.914 1.239
214 HB2 PRO 27 HB2 PRO 27 3.471 -5.563 0.093
215 HB3 PRO 27 HB1 PRO 27 2.394 -6.728 -0.679
216 HG2 PRO 27 HG2 PRO 27 1.798 -4.084 0.410
217 HG3 PRO 27 HG1 PRO 27 0.837 -5.088 -0.678
218 HD2 PRO 27 HD2 PRO 27 0.159 -4.595 1.911
219 HD3 PRO 27 HD1 PRO 27 -0.311 -6.069 1.041
220 H LYS 28 HN LYS 28 4.356 -8.582 1.441
221 HA LYS 28 HA LYS 28 5.724 -8.176 3.742
222 HB2 LYS 28 HB2 LYS 28 6.619 -9.060 1.031
223 HB3 LYS 28 HB1 LYS 28 7.798 -8.884 2.323
224 HG2 LYS 28 HG2 LYS 28 6.790 -11.190 1.965
225 HG3 LYS 28 HG1 LYS 28 6.811 -10.566 3.614
226 HD2 LYS 28 HD2 LYS 28 4.458 -9.861 3.353
227 HD3 LYS 28 HD1 LYS 28 4.452 -10.547 1.727
228 HE2 LYS 28 HE2 LYS 28 5.229 -12.719 2.936
229 HE3 LYS 28 HE1 LYS 28 4.568 -11.936 4.371
230 HZ1 LYS 28 HZ1 LYS 28 2.970 -13.394 3.215
231 HZ2 LYS 28 HZ2 LYS 28 3.046 -12.383 1.862
232 HZ3 LYS 28 HZ3 LYS 28 2.437 -11.792 3.324
233 HA PRO 29 HA PRO 29 8.696 -4.882 1.800
234 HB2 PRO 29 HB2 PRO 29 7.760 -3.599 -0.439
235 HB3 PRO 29 HB1 PRO 29 8.869 -4.983 -0.475
236 HG2 PRO 29 HG2 PRO 29 5.907 -4.908 -0.886
237 HG3 PRO 29 HG1 PRO 29 7.137 -5.852 -1.745
238 HD2 PRO 29 HD2 PRO 29 5.557 -6.931 0.160
239 HD3 PRO 29 HD1 PRO 29 7.233 -7.465 -0.099
240 H ILE 30 HN ILE 30 5.389 -4.030 0.782
241 HA ILE 30 HA ILE 30 5.416 -1.404 1.737
242 HB ILE 30 HB ILE 30 3.032 -3.237 1.494
243 HG12 ILE 30 HG12 ILE 30 4.659 -2.804 -0.537
244 HG13 ILE 30 HG11 ILE 30 2.917 -2.784 -0.765
245 HG21 ILE 30 HG21 ILE 30 3.326 -0.418 2.182
246 HG22 ILE 30 HG22 ILE 30 1.967 -1.515 2.427
247 HG23 ILE 30 HG23 ILE 30 2.182 -0.715 0.872
248 HD11 ILE 30 HD11 ILE 30 4.676 -0.366 -0.412
249 HD12 ILE 30 HD12 ILE 30 2.930 -0.347 -0.663
250 HD13 ILE 30 HD13 ILE 30 3.998 -0.947 -1.933
251 H ALA 31 HN ALA 31 4.738 -4.445 3.328
252 HA ALA 31 HA ALA 31 3.456 -3.568 5.632
253 HB1 ALA 31 HB1 ALA 31 3.457 -5.847 5.507
254 HB2 ALA 31 HB2 ALA 31 4.787 -5.621 6.644
255 HB3 ALA 31 HB3 ALA 31 5.125 -5.926 4.940
256 H GLN 32 HN GLN 32 6.937 -3.913 4.994
257 HA GLN 32 HA GLN 32 7.840 -3.100 7.519
258 HB2 GLN 32 HB2 GLN 32 9.307 -4.150 5.856
259 HB3 GLN 32 HB1 GLN 32 9.160 -2.737 4.820
260 HG2 GLN 32 HG2 GLN 32 10.079 -2.130 7.524
261 HG3 GLN 32 HG1 GLN 32 11.160 -3.186 6.616
262 HE21 GLN 32 HE21 GLN 32 10.974 -2.296 4.097
263 HE22 GLN 32 HE22 GLN 32 11.506 -0.656 3.980
264 H ALA 33 HN ALA 33 6.838 -1.298 4.685
265 HA ALA 33 HA ALA 33 7.763 1.246 5.434
266 HB1 ALA 33 HB1 ALA 33 6.696 1.988 3.590
267 HB2 ALA 33 HB2 ALA 33 5.202 1.135 3.979
268 HB3 ALA 33 HB3 ALA 33 6.549 0.265 3.243
269 H LEU 34 HN LEU 34 4.595 -0.297 5.985
270 HA LEU 34 HA LEU 34 3.516 1.898 7.429
271 HB2 LEU 34 HB2 LEU 34 2.671 -0.998 7.520
272 HB3 LEU 34 HB1 LEU 34 1.725 0.373 8.066
273 HG LEU 34 HG LEU 34 2.286 1.005 5.431
274 HD11 LEU 34 HD11 LEU 34 2.436 -0.804 4.148
275 HD12 LEU 34 HD12 LEU 34 1.176 -1.653 5.043
276 HD13 LEU 34 HD13 LEU 34 2.842 -1.682 5.621
277 HD21 LEU 34 HD21 LEU 34 0.141 1.109 6.878
278 HD22 LEU 34 HD22 LEU 34 -0.195 -0.484 6.202
279 HD23 LEU 34 HD23 LEU 34 -0.015 0.908 5.133
280 H ALA 35 HN ALA 35 5.382 -0.917 8.338
281 HA ALA 35 HA ALA 35 4.886 -0.939 11.091
282 HB1 ALA 35 HB1 ALA 35 6.334 -2.497 9.458
283 HB2 ALA 35 HB2 ALA 35 6.518 -2.504 11.212
284 HB3 ALA 35 HB3 ALA 35 7.635 -1.576 10.213
285 H GLU 36 HN GLU 36 6.963 1.067 9.126
286 HA GLU 36 HA GLU 36 8.188 2.304 11.460
287 HB2 GLU 36 HB2 GLU 36 8.544 3.036 8.551
288 HB3 GLU 36 HB1 GLU 36 9.571 3.510 9.897
289 HG2 GLU 36 HG2 GLU 36 9.183 0.672 8.972
290 HG3 GLU 36 HG1 GLU 36 10.522 1.716 8.479
291 H GLY 37 HN GLY 37 5.522 2.775 9.359
292 HA2 GLY 37 HA2 GLY 37 3.806 4.332 10.078
293 HA3 GLY 37 HA1 GLY 37 5.092 5.443 10.543
294 H LYS 38 HN LYS 38 6.050 4.097 7.694
295 HA LYS 38 HA LYS 38 5.230 6.465 6.216
296 HB2 LYS 38 HB2 LYS 38 7.585 5.834 6.154
297 HB3 LYS 38 HB1 LYS 38 7.159 4.242 5.516
298 HG2 LYS 38 HG2 LYS 38 5.988 5.981 3.726
299 HG3 LYS 38 HG1 LYS 38 7.507 6.777 4.139
300 HD2 LYS 38 HD2 LYS 38 7.368 3.872 3.374
301 HD3 LYS 38 HD1 LYS 38 7.551 5.155 2.176
302 HE2 LYS 38 HE2 LYS 38 9.393 4.833 4.534
303 HE3 LYS 38 HE1 LYS 38 9.687 4.062 2.976
304 HZ1 LYS 38 HZ1 LYS 38 10.582 6.488 3.637
305 HZ2 LYS 38 HZ2 LYS 38 9.136 6.904 2.864
306 HZ3 LYS 38 HZ3 LYS 38 10.301 5.992 2.044
307 H SER 39 HN SER 39 3.642 6.488 4.776
308 HA SER 39 HA SER 39 2.337 3.983 4.037
309 HB2 SER 39 HB2 SER 39 1.275 6.367 4.743
310 HB3 SER 39 HB1 SER 39 1.319 6.568 2.983
311 HG SER 39 HG SER 39 -0.029 4.607 4.510
312 H LEU 40 HN LEU 40 1.299 4.520 1.568
313 HA LEU 40 HA LEU 40 3.499 3.984 -0.127
314 HB2 LEU 40 HB2 LEU 40 0.869 3.493 -0.323
315 HB3 LEU 40 HB1 LEU 40 0.977 4.901 -1.367
316 HG LEU 40 HG LEU 40 2.664 3.787 -2.733
317 HD11 LEU 40 HD11 LEU 40 3.830 2.433 -1.232
318 HD12 LEU 40 HD12 LEU 40 2.985 1.296 -2.285
319 HD13 LEU 40 HD13 LEU 40 2.362 1.636 -0.669
320 HD21 LEU 40 HD21 LEU 40 0.052 3.374 -2.875
321 HD22 LEU 40 HD22 LEU 40 0.548 1.720 -2.514
322 HD23 LEU 40 HD23 LEU 40 1.187 2.542 -3.937
323 H ASP 41 HN ASP 41 2.565 6.876 1.139
324 HA ASP 41 HA ASP 41 2.613 8.706 -0.929
325 HB2 ASP 41 HB2 ASP 41 2.287 9.020 1.651
326 HB3 ASP 41 HB1 ASP 41 4.021 9.327 1.644
327 H ASP 42 HN ASP 42 5.211 6.832 0.387
328 HA ASP 42 HA ASP 42 7.242 8.468 -0.915
329 HB2 ASP 42 HB2 ASP 42 7.354 7.152 1.414
330 HB3 ASP 42 HB1 ASP 42 7.943 5.869 0.352
331 H PHE 43 HN PHE 43 5.532 5.459 -1.321
332 HA PHE 43 HA PHE 43 7.134 4.876 -3.723
333 HB2 PHE 43 HB2 PHE 43 5.278 2.848 -2.541
334 HB3 PHE 43 HB1 PHE 43 6.791 2.610 -3.420
335 HD1 PHE 43 HD2 PHE 43 8.558 4.424 -1.824
336 HD2 PHE 43 HD1 PHE 43 5.633 1.576 -0.620
337 HE1 PHE 43 HE2 PHE 43 9.743 4.115 0.311
338 HE2 PHE 43 HE1 PHE 43 6.813 1.262 1.516
339 HZ PHE 43 HZ PHE 43 8.871 2.532 1.983
340 H LEU 44 HN LEU 44 5.006 6.828 -3.611
341 HA LEU 44 HA LEU 44 2.677 5.654 -4.819
342 HB2 LEU 44 HB2 LEU 44 1.767 7.823 -4.856
343 HB3 LEU 44 HB1 LEU 44 2.696 7.724 -3.373
344 HG LEU 44 HG LEU 44 4.556 8.791 -5.021
345 HD11 LEU 44 HD11 LEU 44 2.366 8.876 -6.634
346 HD12 LEU 44 HD12 LEU 44 3.748 9.966 -6.751
347 HD13 LEU 44 HD13 LEU 44 2.304 10.464 -5.869
348 HD21 LEU 44 HD21 LEU 44 4.415 10.565 -3.639
349 HD22 LEU 44 HD22 LEU 44 3.267 9.543 -2.774
350 HD23 LEU 44 HD23 LEU 44 2.682 10.768 -3.901
351 H ILE 45 HN ILE 45 2.646 4.966 -6.841
352 HA ILE 45 HA ILE 45 3.096 4.729 -9.063
353 HB ILE 45 HB ILE 45 3.414 7.723 -9.125
354 HG12 ILE 45 HG12 ILE 45 1.422 7.281 -7.822
355 HG13 ILE 45 HG11 ILE 45 0.941 7.814 -9.429
356 HG21 ILE 45 HG21 ILE 45 2.639 5.614 -11.104
357 HG22 ILE 45 HG22 ILE 45 3.860 6.879 -11.243
358 HG23 ILE 45 HG23 ILE 45 2.148 7.293 -11.329
359 HD11 ILE 45 HD11 ILE 45 -0.442 5.977 -8.649
360 HD12 ILE 45 HD12 ILE 45 0.990 4.966 -8.457
361 HD13 ILE 45 HD13 ILE 45 0.498 5.503 -10.064
Start of MODEL 4
1 H1 ARG 1 HT1 ARG 1 -9.331 2.409 9.012
2 H2 ARG 1 HT2 ARG 1 -9.245 1.429 10.418
3 H3 ARG 1 HT3 ARG 1 -10.589 1.299 9.359
4 HA ARG 1 HA ARG 1 -7.821 0.432 8.959
5 HB2 ARG 1 HB2 ARG 1 -9.405 -1.094 10.044
6 HB3 ARG 1 HB1 ARG 1 -10.531 -0.892 8.709
7 HG2 ARG 1 HG2 ARG 1 -8.992 -1.965 7.193
8 HG3 ARG 1 HG1 ARG 1 -7.772 -2.074 8.464
9 HD2 ARG 1 HD2 ARG 1 -10.391 -3.240 9.124
10 HD3 ARG 1 HD1 ARG 1 -9.509 -4.055 7.834
11 HE ARG 1 HE ARG 1 -7.916 -3.525 10.167
12 HH11 ARG 1 HH11 ARG 1 -10.137 -5.761 8.667
13 HH12 ARG 1 HH12 ARG 1 -9.583 -7.121 9.584
14 HH21 ARG 1 HH21 ARG 1 -7.185 -5.313 11.373
15 HH22 ARG 1 HH22 ARG 1 -7.907 -6.867 11.120
16 H GLN 2 HN GLN 2 -10.714 1.597 7.382
17 HA GLN 2 HA GLN 2 -9.275 1.547 4.822
18 HB2 GLN 2 HB2 GLN 2 -12.157 0.745 5.260
19 HB3 GLN 2 HB1 GLN 2 -11.427 1.004 3.681
20 HG2 GLN 2 HG2 GLN 2 -10.054 -0.872 3.875
21 HG3 GLN 2 HG1 GLN 2 -10.286 -0.972 5.620
22 HE21 GLN 2 HE21 GLN 2 -11.485 -1.840 2.528
23 HE22 GLN 2 HE22 GLN 2 -12.816 -2.802 3.066
24 HA PRO 3 HA PRO 3 -10.981 5.751 5.328
25 HB2 PRO 3 HB2 PRO 3 -8.536 6.966 4.805
26 HB3 PRO 3 HB1 PRO 3 -9.150 6.578 6.418
27 HG2 PRO 3 HG2 PRO 3 -6.899 5.435 5.096
28 HG3 PRO 3 HG1 PRO 3 -7.579 4.974 6.664
29 HD2 PRO 3 HD2 PRO 3 -7.956 3.729 3.987
30 HD3 PRO 3 HD1 PRO 3 -8.038 2.991 5.610
31 H ARG 4 HN ARG 4 -11.231 7.444 3.642
32 HA ARG 4 HA ARG 4 -11.581 6.495 1.077
33 HB2 ARG 4 HB2 ARG 4 -11.257 8.941 0.359
34 HB3 ARG 4 HB1 ARG 4 -12.523 8.610 1.533
35 HG2 ARG 4 HG2 ARG 4 -9.977 9.186 2.798
36 HG3 ARG 4 HG1 ARG 4 -10.527 10.500 1.756
37 HD2 ARG 4 HD2 ARG 4 -12.686 10.506 2.915
38 HD3 ARG 4 HD1 ARG 4 -12.127 9.200 3.959
39 HE ARG 4 HE ARG 4 -11.509 11.985 4.198
40 HH11 ARG 4 HH11 ARG 4 -10.346 8.761 4.858
41 HH12 ARG 4 HH12 ARG 4 -9.335 9.261 6.173
42 HH21 ARG 4 HH21 ARG 4 -10.180 12.643 5.927
43 HH22 ARG 4 HH22 ARG 4 -9.241 11.464 6.780
44 HA PRO 5 HA PRO 5 -7.165 6.112 0.210
45 HB2 PRO 5 HB2 PRO 5 -7.239 3.844 -1.134
46 HB3 PRO 5 HB1 PRO 5 -7.619 3.857 0.588
47 HG2 PRO 5 HG2 PRO 5 -9.489 3.768 -1.751
48 HG3 PRO 5 HG1 PRO 5 -9.540 2.841 -0.240
49 HD2 PRO 5 HD2 PRO 5 -10.975 5.176 -0.753
50 HD3 PRO 5 HD1 PRO 5 -10.649 4.502 0.857
51 H ALA 6 HN ALA 6 -5.941 6.793 -1.483
52 HA ALA 6 HA ALA 6 -7.383 7.691 -3.863
53 HB1 ALA 6 HB1 ALA 6 -5.655 9.044 -2.323
54 HB2 ALA 6 HB2 ALA 6 -5.894 9.386 -4.036
55 HB3 ALA 6 HB3 ALA 6 -4.535 8.390 -3.518
56 H LYS 7 HN LYS 7 -5.232 7.839 -5.656
57 HA LYS 7 HA LYS 7 -4.905 4.992 -6.270
58 HB2 LYS 7 HB2 LYS 7 -5.972 6.292 -8.018
59 HB3 LYS 7 HB1 LYS 7 -4.638 7.441 -8.023
60 HG2 LYS 7 HG2 LYS 7 -4.167 4.538 -8.625
61 HG3 LYS 7 HG1 LYS 7 -4.762 5.642 -9.871
62 HD2 LYS 7 HD2 LYS 7 -2.138 5.735 -8.389
63 HD3 LYS 7 HD1 LYS 7 -2.412 5.590 -10.123
64 HE2 LYS 7 HE2 LYS 7 -2.752 8.004 -8.366
65 HE3 LYS 7 HE1 LYS 7 -1.715 7.810 -9.778
66 HZ1 LYS 7 HZ1 LYS 7 -4.472 8.585 -9.635
67 HZ2 LYS 7 HZ2 LYS 7 -4.208 7.342 -10.751
68 HZ3 LYS 7 HZ3 LYS 7 -3.355 8.796 -10.889
69 H TYR 8 HN TYR 8 -3.018 4.045 -6.217
70 HA TYR 8 HA TYR 8 -0.537 5.470 -6.512
71 HB2 TYR 8 HB2 TYR 8 -1.355 4.151 -3.927
72 HB3 TYR 8 HB1 TYR 8 0.343 4.374 -4.361
73 HD1 TYR 8 HD2 TYR 8 0.107 7.060 -5.700
74 HD2 TYR 8 HD1 TYR 8 -1.536 5.588 -2.063
75 HE1 TYR 8 HE2 TYR 8 0.015 9.348 -4.829
76 HE2 TYR 8 HE1 TYR 8 -1.628 7.880 -1.174
77 HH TYR 8 HH TYR 8 0.021 10.418 -2.458
78 H LYS 9 HN LYS 9 1.334 3.816 -6.374
79 HA LYS 9 HA LYS 9 0.367 1.291 -7.546
80 HB2 LYS 9 HB2 LYS 9 1.797 3.169 -8.838
81 HB3 LYS 9 HB1 LYS 9 3.110 2.204 -8.175
82 HG2 LYS 9 HG2 LYS 9 0.888 1.250 -9.968
83 HG3 LYS 9 HG1 LYS 9 2.586 1.453 -10.399
84 HD2 LYS 9 HD2 LYS 9 2.889 -0.680 -9.839
85 HD3 LYS 9 HD1 LYS 9 2.613 -0.210 -8.162
86 HE2 LYS 9 HE2 LYS 9 1.148 -2.035 -8.707
87 HE3 LYS 9 HE1 LYS 9 0.185 -0.571 -8.514
88 HZ1 LYS 9 HZ1 LYS 9 1.017 -1.810 -11.081
89 HZ2 LYS 9 HZ2 LYS 9 0.195 -0.338 -10.948
90 HZ3 LYS 9 HZ3 LYS 9 -0.549 -1.769 -10.442
91 H PHE 10 HN PHE 10 0.866 -0.491 -6.529
92 HA PHE 10 HA PHE 10 3.325 -0.867 -5.087
93 HB2 PHE 10 HB2 PHE 10 2.610 -0.675 -2.942
94 HB3 PHE 10 HB1 PHE 10 1.319 0.301 -3.628
95 HD1 PHE 10 HD2 PHE 10 -0.406 -1.709 -4.859
96 HD2 PHE 10 HD1 PHE 10 1.671 -1.809 -1.153
97 HE1 PHE 10 HE2 PHE 10 -2.054 -3.308 -3.990
98 HE2 PHE 10 HE1 PHE 10 0.031 -3.417 -0.275
99 HZ PHE 10 HZ PHE 10 -1.833 -4.169 -1.697
100 H THR 11 HN THR 11 3.201 -3.119 -3.938
101 HA THR 11 HA THR 11 1.667 -4.924 -5.697
102 HB THR 11 HB THR 11 4.249 -5.554 -4.252
103 HG1 THR 11 HG1 THR 11 4.453 -3.962 -5.950
104 HG21 THR 11 HG21 THR 11 2.636 -7.042 -6.291
105 HG22 THR 11 HG22 THR 11 3.196 -7.591 -4.711
106 HG23 THR 11 HG23 THR 11 4.350 -7.359 -6.024
107 H ASP 12 HN ASP 12 -0.036 -5.727 -4.653
108 HA ASP 12 HA ASP 12 -0.502 -5.711 -1.910
109 HB2 ASP 12 HB2 ASP 12 -2.161 -6.120 -3.811
110 HB3 ASP 12 HB1 ASP 12 -1.631 -7.798 -3.773
111 H VAL 13 HN VAL 13 -0.799 -7.660 -0.496
112 HA VAL 13 HA VAL 13 1.612 -8.983 -0.089
113 HB VAL 13 HB VAL 13 0.004 -8.725 1.714
114 HG11 VAL 13 HG11 VAL 13 -1.933 -10.500 1.622
115 HG12 VAL 13 HG12 VAL 13 -1.684 -10.383 -0.118
116 HG13 VAL 13 HG13 VAL 13 -2.110 -8.946 0.809
117 HG21 VAL 13 HG21 VAL 13 -0.025 -11.637 1.662
118 HG22 VAL 13 HG22 VAL 13 0.819 -10.533 2.748
119 HG23 VAL 13 HG23 VAL 13 1.543 -10.973 1.201
120 H ASN 14 HN ASN 14 -0.938 -9.705 -2.234
121 HA ASN 14 HA ASN 14 0.003 -12.445 -2.621
122 HB2 ASN 14 HB2 ASN 14 -2.493 -11.454 -2.423
123 HB3 ASN 14 HB1 ASN 14 -2.287 -11.426 -4.177
124 HD21 ASN 14 HD21 ASN 14 -1.740 -13.557 -1.395
125 HD22 ASN 14 HD22 ASN 14 -2.237 -15.016 -2.195
126 H GLY 15 HN GLY 15 0.600 -9.407 -3.868
127 HA2 GLY 15 HA2 GLY 15 2.269 -9.209 -5.602
128 HA3 GLY 15 HA1 GLY 15 1.540 -10.603 -6.394
129 H GLU 16 HN GLU 16 -1.006 -8.802 -5.367
130 HA GLU 16 HA GLU 16 -1.673 -7.933 -7.982
131 HB2 GLU 16 HB2 GLU 16 -2.954 -6.939 -5.441
132 HB3 GLU 16 HB1 GLU 16 -3.682 -7.090 -7.035
133 HG2 GLU 16 HG2 GLU 16 -3.379 -9.574 -6.821
134 HG3 GLU 16 HG1 GLU 16 -2.930 -9.295 -5.139
135 H THR 17 HN THR 17 -0.670 -6.313 -8.981
136 HA THR 17 HA THR 17 0.502 -4.139 -7.481
137 HB THR 17 HB THR 17 0.683 -3.580 -10.236
138 HG1 THR 17 HG1 THR 17 1.121 -5.448 -11.189
139 HG21 THR 17 HG21 THR 17 2.481 -4.335 -8.072
140 HG22 THR 17 HG22 THR 17 2.679 -3.143 -9.356
141 HG23 THR 17 HG23 THR 17 3.030 -4.843 -9.669
142 H LYS 18 HN LYS 18 -1.276 -3.001 -6.639
143 HA LYS 18 HA LYS 18 -2.635 -1.331 -8.620
144 HB2 LYS 18 HB2 LYS 18 -3.906 -3.468 -7.327
145 HB3 LYS 18 HB1 LYS 18 -4.475 -2.016 -6.496
146 HG2 LYS 18 HG2 LYS 18 -5.978 -2.518 -8.292
147 HG3 LYS 18 HG1 LYS 18 -5.086 -1.045 -8.691
148 HD2 LYS 18 HD2 LYS 18 -5.325 -2.657 -10.590
149 HD3 LYS 18 HD1 LYS 18 -3.657 -2.238 -10.195
150 HE2 LYS 18 HE2 LYS 18 -3.969 -4.650 -10.639
151 HE3 LYS 18 HE1 LYS 18 -3.365 -4.323 -9.015
152 HZ1 LYS 18 HZ1 LYS 18 -6.257 -4.510 -9.327
153 HZ2 LYS 18 HZ2 LYS 18 -5.267 -5.046 -8.064
154 HZ3 LYS 18 HZ3 LYS 18 -5.385 -5.952 -9.488
155 H THR 19 HN THR 19 -4.407 -0.121 -6.759
156 HA THR 19 HA THR 19 -2.544 1.650 -5.395
157 HB THR 19 HB THR 19 -4.301 3.208 -5.329
158 HG1 THR 19 HG1 THR 19 -6.385 2.675 -5.288
159 HG21 THR 19 HG21 THR 19 -4.801 1.546 -7.758
160 HG22 THR 19 HG22 THR 19 -3.493 2.713 -7.576
161 HG23 THR 19 HG23 THR 19 -5.175 3.259 -7.559
162 H TRP 20 HN TRP 20 -2.133 1.505 -3.331
163 HA TRP 20 HA TRP 20 -4.163 0.460 -1.544
164 HB2 TRP 20 HB2 TRP 20 -3.072 -1.465 -2.464
165 HB3 TRP 20 HB1 TRP 20 -1.498 -0.820 -2.049
166 HD1 TRP 20 HD1 TRP 20 -4.397 -2.757 -0.566
167 HE1 TRP 20 HE1 TRP 20 -3.782 -3.488 1.829
168 HE3 TRP 20 HE3 TRP 20 -0.123 -0.062 0.016
169 HZ2 TRP 20 HZ2 TRP 20 -1.750 -2.972 3.720
170 HZ3 TRP 20 HZ3 TRP 20 1.106 -0.218 2.146
171 HH2 TRP 20 HH2 TRP 20 0.307 -1.650 3.958
172 H THR 21 HN THR 21 -4.214 1.746 0.149
173 HA THR 21 HA THR 21 -1.711 2.985 1.087
174 HB THR 21 HB THR 21 -3.476 4.578 0.339
175 HG1 THR 21 HG1 THR 21 -2.738 5.825 1.834
176 HG21 THR 21 HG21 THR 21 -5.075 3.598 2.689
177 HG22 THR 21 HG22 THR 21 -5.440 3.218 1.006
178 HG23 THR 21 HG23 THR 21 -5.497 4.890 1.565
179 H GLY 22 HN GLY 22 -4.729 1.471 2.041
180 HA2 GLY 22 HA2 GLY 22 -3.490 0.027 4.184
181 HA3 GLY 22 HA1 GLY 22 -4.557 1.311 4.763
182 H GLN 23 HN GLN 23 -4.562 -1.331 2.354
183 HA GLN 23 HA GLN 23 -7.423 -1.557 2.489
184 HB2 GLN 23 HB2 GLN 23 -6.038 -1.940 0.410
185 HB3 GLN 23 HB1 GLN 23 -5.508 -3.456 1.119
186 HG2 GLN 23 HG2 GLN 23 -7.999 -4.010 1.326
187 HG3 GLN 23 HG1 GLN 23 -8.248 -2.671 0.207
188 HE21 GLN 23 HE21 GLN 23 -7.430 -2.828 -1.902
189 HE22 GLN 23 HE22 GLN 23 -7.032 -4.355 -2.606
190 H GLY 24 HN GLY 24 -5.360 -4.424 2.557
191 HA2 GLY 24 HA2 GLY 24 -6.573 -5.142 5.149
192 HA3 GLY 24 HA1 GLY 24 -6.555 -6.277 3.800
193 H ARG 25 HN ARG 25 -4.762 -7.494 3.432
194 HA ARG 25 HA ARG 25 -2.890 -7.823 5.493
195 HB2 ARG 25 HB2 ARG 25 -3.338 -9.643 3.958
196 HB3 ARG 25 HB1 ARG 25 -2.765 -8.686 2.599
197 HG2 ARG 25 HG2 ARG 25 -1.101 -10.312 3.230
198 HG3 ARG 25 HG1 ARG 25 -0.497 -8.686 3.560
199 HD2 ARG 25 HD2 ARG 25 -1.531 -9.173 5.940
200 HD3 ARG 25 HD1 ARG 25 -1.323 -10.851 5.443
201 HE ARG 25 HE ARG 25 0.747 -8.971 6.132
202 HH11 ARG 25 HH11 ARG 25 -0.004 -11.927 4.434
203 HH12 ARG 25 HH12 ARG 25 1.621 -12.520 4.494
204 HH21 ARG 25 HH21 ARG 25 2.884 -9.750 6.211
205 HH22 ARG 25 HH22 ARG 25 3.261 -11.285 5.503
206 H THR 26 HN THR 26 -0.605 -7.486 5.444
207 HA THR 26 HA THR 26 0.138 -5.067 3.955
208 HB THR 26 HB THR 26 1.819 -5.886 6.214
209 HG1 THR 26 HG1 THR 26 -0.769 -4.860 6.736
210 HG21 THR 26 HG21 THR 26 1.925 -3.599 6.704
211 HG22 THR 26 HG22 THR 26 0.447 -3.253 5.804
212 HG23 THR 26 HG23 THR 26 1.922 -3.694 4.943
213 HA PRO 27 HA PRO 27 2.333 -8.412 1.667
214 HB2 PRO 27 HB2 PRO 27 3.512 -6.123 0.328
215 HB3 PRO 27 HB1 PRO 27 2.498 -7.390 -0.351
216 HG2 PRO 27 HG2 PRO 27 1.785 -4.696 0.453
217 HG3 PRO 27 HG1 PRO 27 0.818 -5.884 -0.429
218 HD2 PRO 27 HD2 PRO 27 0.290 -5.055 2.126
219 HD3 PRO 27 HD1 PRO 27 -0.211 -6.626 1.469
220 H LYS 28 HN LYS 28 4.431 -9.130 1.863
221 HA LYS 28 HA LYS 28 5.940 -8.515 4.030
222 HB2 LYS 28 HB2 LYS 28 6.595 -9.768 1.410
223 HB3 LYS 28 HB1 LYS 28 7.915 -9.402 2.513
224 HG2 LYS 28 HG2 LYS 28 7.039 -11.715 2.708
225 HG3 LYS 28 HG1 LYS 28 6.978 -10.795 4.212
226 HD2 LYS 28 HD2 LYS 28 4.908 -11.936 4.051
227 HD3 LYS 28 HD1 LYS 28 4.570 -10.255 3.632
228 HE2 LYS 28 HE2 LYS 28 3.524 -11.160 1.859
229 HE3 LYS 28 HE1 LYS 28 5.153 -11.281 1.195
230 HZ1 LYS 28 HZ1 LYS 28 5.155 -13.550 2.400
231 HZ2 LYS 28 HZ2 LYS 28 4.344 -13.403 0.923
232 HZ3 LYS 28 HZ3 LYS 28 3.470 -13.390 2.371
233 HA PRO 29 HA PRO 29 8.899 -5.579 1.525
234 HB2 PRO 29 HB2 PRO 29 7.759 -4.478 -0.733
235 HB3 PRO 29 HB1 PRO 29 8.869 -5.861 -0.740
236 HG2 PRO 29 HG2 PRO 29 5.881 -5.821 -0.886
237 HG3 PRO 29 HG1 PRO 29 7.035 -6.844 -1.761
238 HD2 PRO 29 HD2 PRO 29 5.649 -7.758 0.352
239 HD3 PRO 29 HD1 PRO 29 7.320 -8.277 0.035
240 H ILE 30 HN ILE 30 5.529 -4.739 0.745
241 HA ILE 30 HA ILE 30 5.701 -2.038 1.459
242 HB ILE 30 HB ILE 30 3.306 -3.874 1.416
243 HG12 ILE 30 HG12 ILE 30 4.702 -3.395 -0.708
244 HG13 ILE 30 HG11 ILE 30 2.957 -3.186 -0.795
245 HG21 ILE 30 HG21 ILE 30 2.379 -1.327 0.972
246 HG22 ILE 30 HG22 ILE 30 3.574 -1.098 2.248
247 HG23 ILE 30 HG23 ILE 30 2.241 -2.229 2.481
248 HD11 ILE 30 HD11 ILE 30 3.221 -0.781 -0.539
249 HD12 ILE 30 HD12 ILE 30 4.147 -1.380 -1.917
250 HD13 ILE 30 HD13 ILE 30 4.970 -0.980 -0.409
251 H ALA 31 HN ALA 31 5.135 -4.914 3.361
252 HA ALA 31 HA ALA 31 4.021 -3.827 5.663
253 HB1 ALA 31 HB1 ALA 31 4.216 -6.227 5.308
254 HB2 ALA 31 HB2 ALA 31 4.953 -5.767 6.842
255 HB3 ALA 31 HB3 ALA 31 5.970 -6.120 5.446
256 H GLN 32 HN GLN 32 7.429 -4.149 4.735
257 HA GLN 32 HA GLN 32 8.522 -3.122 7.119
258 HB2 GLN 32 HB2 GLN 32 9.874 -4.324 5.472
259 HB3 GLN 32 HB1 GLN 32 9.619 -3.038 4.300
260 HG2 GLN 32 HG2 GLN 32 10.661 -1.659 6.399
261 HG3 GLN 32 HG1 GLN 32 11.493 -3.208 6.539
262 HE21 GLN 32 HE21 GLN 32 10.409 -1.288 3.760
263 HE22 GLN 32 HE22 GLN 32 11.956 -1.201 2.997
264 H ALA 33 HN ALA 33 7.612 -1.551 4.067
265 HA ALA 33 HA ALA 33 8.428 1.055 4.812
266 HB1 ALA 33 HB1 ALA 33 7.862 0.135 2.478
267 HB2 ALA 33 HB2 ALA 33 7.403 1.796 2.853
268 HB3 ALA 33 HB3 ALA 33 6.190 0.516 2.891
269 H LEU 34 HN LEU 34 5.265 -0.555 4.889
270 HA LEU 34 HA LEU 34 3.870 1.642 6.013
271 HB2 LEU 34 HB2 LEU 34 3.271 -1.303 5.841
272 HB3 LEU 34 HB1 LEU 34 2.178 -0.176 6.617
273 HG LEU 34 HG LEU 34 2.127 -0.916 3.967
274 HD11 LEU 34 HD11 LEU 34 0.514 0.973 3.731
275 HD12 LEU 34 HD12 LEU 34 1.003 1.519 5.335
276 HD13 LEU 34 HD13 LEU 34 0.233 -0.055 5.136
277 HD21 LEU 34 HD21 LEU 34 4.097 0.409 3.440
278 HD22 LEU 34 HD22 LEU 34 3.337 1.841 4.132
279 HD23 LEU 34 HD23 LEU 34 2.661 1.098 2.684
280 H ALA 35 HN ALA 35 5.665 -1.041 7.347
281 HA ALA 35 HA ALA 35 4.760 -0.916 10.001
282 HB1 ALA 35 HB1 ALA 35 7.030 -1.953 10.513
283 HB2 ALA 35 HB2 ALA 35 7.335 -1.868 8.778
284 HB3 ALA 35 HB3 ALA 35 5.987 -2.827 9.390
285 H GLU 36 HN GLU 36 7.008 1.042 8.206
286 HA GLU 36 HA GLU 36 8.248 2.258 10.476
287 HB2 GLU 36 HB2 GLU 36 8.080 3.272 7.633
288 HB3 GLU 36 HB1 GLU 36 9.200 3.826 8.870
289 HG2 GLU 36 HG2 GLU 36 9.285 0.943 8.379
290 HG3 GLU 36 HG1 GLU 36 9.742 1.938 6.991
291 H GLY 37 HN GLY 37 5.225 2.651 8.936
292 HA2 GLY 37 HA2 GLY 37 3.552 3.946 10.127
293 HA3 GLY 37 HA1 GLY 37 4.802 5.141 10.464
294 H LYS 38 HN LYS 38 5.544 4.468 7.441
295 HA LYS 38 HA LYS 38 3.964 6.687 6.414
296 HB2 LYS 38 HB2 LYS 38 6.248 5.178 5.126
297 HB3 LYS 38 HB1 LYS 38 5.517 6.672 4.528
298 HG2 LYS 38 HG2 LYS 38 7.469 7.369 5.584
299 HG3 LYS 38 HG1 LYS 38 6.205 7.684 6.775
300 HD2 LYS 38 HD2 LYS 38 6.930 6.042 8.181
301 HD3 LYS 38 HD1 LYS 38 7.538 5.035 6.865
302 HE2 LYS 38 HE2 LYS 38 9.580 5.987 6.908
303 HE3 LYS 38 HE1 LYS 38 8.935 7.596 7.230
304 HZ1 LYS 38 HZ1 LYS 38 8.696 5.685 9.401
305 HZ2 LYS 38 HZ2 LYS 38 9.121 7.322 9.440
306 HZ3 LYS 38 HZ3 LYS 38 10.275 6.158 9.021
307 H SER 39 HN SER 39 2.682 6.597 4.573
308 HA SER 39 HA SER 39 1.557 3.966 3.997
309 HB2 SER 39 HB2 SER 39 0.343 6.350 4.397
310 HB3 SER 39 HB1 SER 39 0.487 6.377 2.631
311 HG SER 39 HG SER 39 -1.457 5.388 3.313
312 H LEU 40 HN LEU 40 0.609 4.446 1.395
313 HA LEU 40 HA LEU 40 2.838 3.651 -0.144
314 HB2 LEU 40 HB2 LEU 40 0.114 3.550 -0.448
315 HB3 LEU 40 HB1 LEU 40 0.580 4.725 -1.665
316 HG LEU 40 HG LEU 40 2.104 3.119 -2.677
317 HD11 LEU 40 HD11 LEU 40 2.861 1.319 -1.624
318 HD12 LEU 40 HD12 LEU 40 1.225 0.752 -1.288
319 HD13 LEU 40 HD13 LEU 40 2.011 1.882 -0.184
320 HD21 LEU 40 HD21 LEU 40 -0.068 1.281 -2.664
321 HD22 LEU 40 HD22 LEU 40 0.383 2.451 -3.904
322 HD23 LEU 40 HD23 LEU 40 -0.718 2.919 -2.608
323 H ASP 41 HN ASP 41 1.937 6.718 0.870
324 HA ASP 41 HA ASP 41 2.406 8.371 -1.296
325 HB2 ASP 41 HB2 ASP 41 2.654 8.663 1.652
326 HB3 ASP 41 HB1 ASP 41 3.430 9.892 0.657
327 H ASP 42 HN ASP 42 4.647 6.437 0.485
328 HA ASP 42 HA ASP 42 6.996 7.890 -0.290
329 HB2 ASP 42 HB2 ASP 42 6.800 6.404 1.751
330 HB3 ASP 42 HB1 ASP 42 6.854 5.021 0.653
331 H PHE 43 HN PHE 43 5.237 5.077 -1.484
332 HA PHE 43 HA PHE 43 7.082 4.957 -3.778
333 HB2 PHE 43 HB2 PHE 43 5.158 2.756 -3.086
334 HB3 PHE 43 HB1 PHE 43 6.667 2.667 -3.997
335 HD1 PHE 43 HD2 PHE 43 8.552 4.000 -2.205
336 HD2 PHE 43 HD1 PHE 43 5.396 1.283 -1.332
337 HE1 PHE 43 HE2 PHE 43 9.736 3.286 -0.169
338 HE2 PHE 43 HE1 PHE 43 6.573 0.563 0.705
339 HZ PHE 43 HZ PHE 43 8.747 1.565 1.289
340 H LEU 44 HN LEU 44 4.781 6.791 -3.442
341 HA LEU 44 HA LEU 44 2.562 5.942 -4.922
342 HB2 LEU 44 HB2 LEU 44 1.967 8.250 -5.122
343 HB3 LEU 44 HB1 LEU 44 2.645 7.989 -3.527
344 HG LEU 44 HG LEU 44 4.855 8.778 -4.928
345 HD11 LEU 44 HD11 LEU 44 4.416 10.223 -6.595
346 HD12 LEU 44 HD12 LEU 44 2.945 10.826 -5.831
347 HD13 LEU 44 HD13 LEU 44 2.915 9.306 -6.726
348 HD21 LEU 44 HD21 LEU 44 4.893 10.333 -3.329
349 HD22 LEU 44 HD22 LEU 44 3.353 9.668 -2.787
350 HD23 LEU 44 HD23 LEU 44 3.380 11.051 -3.880
351 H ILE 45 HN ILE 45 2.747 5.047 -6.871
352 HA ILE 45 HA ILE 45 3.443 4.632 -9.012
353 HB ILE 45 HB ILE 45 3.034 7.623 -9.143
354 HG12 ILE 45 HG12 ILE 45 0.825 6.741 -10.216
355 HG13 ILE 45 HG11 ILE 45 1.215 5.245 -9.375
356 HG21 ILE 45 HG21 ILE 45 2.503 7.055 -11.585
357 HG22 ILE 45 HG22 ILE 45 3.380 5.554 -11.288
358 HG23 ILE 45 HG23 ILE 45 4.199 7.105 -11.104
359 HD11 ILE 45 HD11 ILE 45 -0.344 6.770 -8.166
360 HD12 ILE 45 HD12 ILE 45 0.992 7.911 -8.007
361 HD13 ILE 45 HD13 ILE 45 1.099 6.317 -7.259
Start of MODEL 5
1 H1 ARG 1 HT1 ARG 1 -9.497 1.217 10.201
2 H2 ARG 1 HT2 ARG 1 -8.667 2.706 10.404
3 H3 ARG 1 HT3 ARG 1 -8.183 1.321 11.295
4 HA ARG 1 HA ARG 1 -6.771 1.927 9.377
5 HB2 ARG 1 HB2 ARG 1 -6.716 -0.502 8.615
6 HB3 ARG 1 HB1 ARG 1 -6.548 -0.223 10.343
7 HG2 ARG 1 HG2 ARG 1 -8.554 -1.169 10.834
8 HG3 ARG 1 HG1 ARG 1 -9.278 -0.702 9.294
9 HD2 ARG 1 HD2 ARG 1 -7.060 -2.618 9.096
10 HD3 ARG 1 HD1 ARG 1 -8.490 -3.222 9.932
11 HE ARG 1 HE ARG 1 -9.292 -1.968 7.555
12 HH11 ARG 1 HH11 ARG 1 -7.572 -4.811 8.622
13 HH12 ARG 1 HH12 ARG 1 -8.010 -5.750 7.235
14 HH21 ARG 1 HH21 ARG 1 -9.870 -3.202 5.730
15 HH22 ARG 1 HH22 ARG 1 -9.314 -4.836 5.592
16 H GLN 2 HN GLN 2 -8.122 3.467 8.099
17 HA GLN 2 HA GLN 2 -8.514 2.478 5.478
18 HB2 GLN 2 HB2 GLN 2 -10.889 2.711 7.237
19 HB3 GLN 2 HB1 GLN 2 -11.055 3.359 5.611
20 HG2 GLN 2 HG2 GLN 2 -9.953 0.980 5.042
21 HG3 GLN 2 HG1 GLN 2 -10.809 0.572 6.529
22 HE21 GLN 2 HE21 GLN 2 -11.119 0.287 3.402
23 HE22 GLN 2 HE22 GLN 2 -12.818 0.521 3.192
24 HA PRO 3 HA PRO 3 -7.926 7.006 5.569
25 HB2 PRO 3 HB2 PRO 3 -5.625 6.893 4.017
26 HB3 PRO 3 HB1 PRO 3 -5.652 6.908 5.785
27 HG2 PRO 3 HG2 PRO 3 -4.821 4.781 4.078
28 HG3 PRO 3 HG1 PRO 3 -4.944 4.765 5.844
29 HD2 PRO 3 HD2 PRO 3 -6.840 3.732 3.796
30 HD3 PRO 3 HD1 PRO 3 -6.573 3.195 5.477
31 H ARG 4 HN ARG 4 -8.090 8.538 3.728
32 HA ARG 4 HA ARG 4 -9.783 7.753 1.698
33 HB2 ARG 4 HB2 ARG 4 -7.641 9.884 1.476
34 HB3 ARG 4 HB1 ARG 4 -9.077 9.757 0.470
35 HG2 ARG 4 HG2 ARG 4 -10.447 10.592 2.073
36 HG3 ARG 4 HG1 ARG 4 -9.486 9.930 3.397
37 HD2 ARG 4 HD2 ARG 4 -9.004 12.152 3.632
38 HD3 ARG 4 HD1 ARG 4 -7.713 11.675 2.530
39 HE ARG 4 HE ARG 4 -9.813 12.455 0.930
40 HH11 ARG 4 HH11 ARG 4 -7.842 13.931 3.403
41 HH12 ARG 4 HH12 ARG 4 -7.981 15.524 2.738
42 HH21 ARG 4 HH21 ARG 4 -9.997 14.549 0.055
43 HH22 ARG 4 HH22 ARG 4 -9.205 15.876 0.838
44 HA PRO 5 HA PRO 5 -6.667 5.300 -0.464
45 HB2 PRO 5 HB2 PRO 5 -8.202 3.276 -1.174
46 HB3 PRO 5 HB1 PRO 5 -7.831 3.542 0.530
47 HG2 PRO 5 HG2 PRO 5 -10.318 4.242 -0.986
48 HG3 PRO 5 HG1 PRO 5 -10.156 3.513 0.622
49 HD2 PRO 5 HD2 PRO 5 -10.557 6.224 0.110
50 HD3 PRO 5 HD1 PRO 5 -9.937 5.545 1.630
51 H ALA 6 HN ALA 6 -6.258 6.788 -2.118
52 HA ALA 6 HA ALA 6 -8.150 7.028 -4.306
53 HB1 ALA 6 HB1 ALA 6 -6.827 8.801 -5.098
54 HB2 ALA 6 HB2 ALA 6 -5.409 8.252 -4.204
55 HB3 ALA 6 HB3 ALA 6 -6.780 8.949 -3.342
56 H LYS 7 HN LYS 7 -5.999 7.401 -6.322
57 HA LYS 7 HA LYS 7 -5.584 4.560 -6.894
58 HB2 LYS 7 HB2 LYS 7 -6.705 5.830 -8.641
59 HB3 LYS 7 HB1 LYS 7 -5.378 6.988 -8.682
60 HG2 LYS 7 HG2 LYS 7 -4.891 4.080 -9.245
61 HG3 LYS 7 HG1 LYS 7 -5.517 5.156 -10.500
62 HD2 LYS 7 HD2 LYS 7 -2.883 5.349 -9.038
63 HD3 LYS 7 HD1 LYS 7 -3.151 5.079 -10.756
64 HE2 LYS 7 HE2 LYS 7 -4.452 7.457 -10.304
65 HE3 LYS 7 HE1 LYS 7 -3.049 7.570 -9.239
66 HZ1 LYS 7 HZ1 LYS 7 -1.710 6.881 -11.253
67 HZ2 LYS 7 HZ2 LYS 7 -2.363 8.441 -11.285
68 HZ3 LYS 7 HZ3 LYS 7 -3.092 7.202 -12.176
69 H TYR 8 HN TYR 8 -3.658 3.661 -6.805
70 HA TYR 8 HA TYR 8 -1.233 5.179 -7.179
71 HB2 TYR 8 HB2 TYR 8 -1.964 3.924 -4.534
72 HB3 TYR 8 HB1 TYR 8 -0.285 4.220 -4.998
73 HD1 TYR 8 HD1 TYR 8 -0.632 6.836 -6.412
74 HD2 TYR 8 HD2 TYR 8 -2.242 5.419 -2.739
75 HE1 TYR 8 HE1 TYR 8 -0.826 9.147 -5.618
76 HE2 TYR 8 HE2 TYR 8 -2.438 7.733 -1.928
77 HH TYR 8 HH TYR 8 -1.114 10.028 -2.571
78 H LYS 9 HN LYS 9 0.707 3.676 -7.041
79 HA LYS 9 HA LYS 9 -0.105 1.008 -7.985
80 HB2 LYS 9 HB2 LYS 9 0.755 2.209 -9.851
81 HB3 LYS 9 HB1 LYS 9 2.134 2.793 -8.928
82 HG2 LYS 9 HG2 LYS 9 3.330 1.055 -9.589
83 HG3 LYS 9 HG1 LYS 9 2.159 -0.048 -8.866
84 HD2 LYS 9 HD2 LYS 9 1.994 1.135 -11.638
85 HD3 LYS 9 HD1 LYS 9 2.482 -0.516 -11.248
86 HE2 LYS 9 HE2 LYS 9 0.314 -0.995 -11.589
87 HE3 LYS 9 HE1 LYS 9 0.101 -0.357 -9.959
88 HZ1 LYS 9 HZ1 LYS 9 0.059 1.597 -12.109
89 HZ2 LYS 9 HZ2 LYS 9 -0.899 1.495 -10.719
90 HZ3 LYS 9 HZ3 LYS 9 -1.252 0.528 -12.061
91 H PHE 10 HN PHE 10 0.576 -0.622 -6.847
92 HA PHE 10 HA PHE 10 3.117 -0.648 -5.476
93 HB2 PHE 10 HB2 PHE 10 2.407 -0.469 -3.316
94 HB3 PHE 10 HB1 PHE 10 1.068 0.413 -4.038
95 HD1 PHE 10 HD2 PHE 10 -0.581 -1.684 -5.180
96 HD2 PHE 10 HD1 PHE 10 1.557 -1.621 -1.509
97 HE1 PHE 10 HE2 PHE 10 -2.147 -3.334 -4.248
98 HE2 PHE 10 HE1 PHE 10 0.002 -3.277 -0.568
99 HZ PHE 10 HZ PHE 10 -1.851 -4.138 -1.942
100 H THR 11 HN THR 11 3.233 -2.841 -4.182
101 HA THR 11 HA THR 11 1.919 -4.876 -5.865
102 HB THR 11 HB THR 11 4.276 -5.628 -4.225
103 HG1 THR 11 HG1 THR 11 5.689 -4.739 -5.785
104 HG21 THR 11 HG21 THR 11 4.885 -6.932 -6.132
105 HG22 THR 11 HG22 THR 11 3.650 -6.149 -7.118
106 HG23 THR 11 HG23 THR 11 3.177 -7.202 -5.784
107 H ASP 12 HN ASP 12 0.229 -5.735 -4.852
108 HA ASP 12 HA ASP 12 -0.310 -5.644 -2.105
109 HB2 ASP 12 HB2 ASP 12 -1.843 -6.215 -4.154
110 HB3 ASP 12 HB1 ASP 12 -1.358 -7.874 -3.817
111 H VAL 13 HN VAL 13 -0.692 -7.745 -0.795
112 HA VAL 13 HA VAL 13 1.826 -8.966 -0.371
113 HB VAL 13 HB VAL 13 0.292 -8.627 1.493
114 HG11 VAL 13 HG11 VAL 13 -1.460 -10.354 -0.214
115 HG12 VAL 13 HG12 VAL 13 -1.854 -8.886 0.677
116 HG13 VAL 13 HG13 VAL 13 -1.642 -10.410 1.538
117 HG21 VAL 13 HG21 VAL 13 0.283 -11.546 1.528
118 HG22 VAL 13 HG22 VAL 13 1.140 -10.403 2.562
119 HG23 VAL 13 HG23 VAL 13 1.829 -10.874 1.010
120 H ASN 14 HN ASN 14 -0.606 -9.624 -2.579
121 HA ASN 14 HA ASN 14 0.046 -12.465 -2.755
122 HB2 ASN 14 HB2 ASN 14 -2.321 -11.163 -2.881
123 HB3 ASN 14 HB1 ASN 14 -1.936 -11.308 -4.599
124 HD21 ASN 14 HD21 ASN 14 -1.858 -13.274 -1.643
125 HD22 ASN 14 HD22 ASN 14 -2.483 -14.716 -2.381
126 H GLY 15 HN GLY 15 1.106 -9.586 -4.088
127 HA2 GLY 15 HA2 GLY 15 2.951 -9.691 -5.647
128 HA3 GLY 15 HA1 GLY 15 2.143 -11.043 -6.435
129 H GLU 16 HN GLU 16 -0.465 -9.449 -6.173
130 HA GLU 16 HA GLU 16 -0.398 -8.322 -8.771
131 HB2 GLU 16 HB2 GLU 16 -2.677 -7.586 -8.318
132 HB3 GLU 16 HB1 GLU 16 -2.450 -9.239 -7.762
133 HG2 GLU 16 HG2 GLU 16 -2.268 -8.495 -5.480
134 HG3 GLU 16 HG1 GLU 16 -2.338 -6.809 -5.991
135 H THR 17 HN THR 17 -0.924 -6.034 -9.296
136 HA THR 17 HA THR 17 0.118 -4.177 -7.278
137 HB THR 17 HB THR 17 1.891 -4.711 -8.924
138 HG1 THR 17 HG1 THR 17 2.481 -2.750 -8.565
139 HG21 THR 17 HG21 THR 17 1.664 -4.622 -11.130
140 HG22 THR 17 HG22 THR 17 0.779 -3.097 -11.065
141 HG23 THR 17 HG23 THR 17 -0.074 -4.624 -10.832
142 H LYS 18 HN LYS 18 -1.617 -2.999 -6.752
143 HA LYS 18 HA LYS 18 -2.941 -1.515 -8.896
144 HB2 LYS 18 HB2 LYS 18 -4.145 -3.685 -7.517
145 HB3 LYS 18 HB1 LYS 18 -4.927 -2.204 -6.955
146 HG2 LYS 18 HG2 LYS 18 -6.150 -3.055 -8.828
147 HG3 LYS 18 HG1 LYS 18 -5.331 -1.566 -9.313
148 HD2 LYS 18 HD2 LYS 18 -5.219 -3.427 -10.993
149 HD3 LYS 18 HD1 LYS 18 -3.654 -2.787 -10.493
150 HE2 LYS 18 HE2 LYS 18 -3.650 -5.240 -10.622
151 HE3 LYS 18 HE1 LYS 18 -3.339 -4.668 -8.984
152 HZ1 LYS 18 HZ1 LYS 18 -4.879 -6.468 -8.887
153 HZ2 LYS 18 HZ2 LYS 18 -5.893 -5.754 -10.037
154 HZ3 LYS 18 HZ3 LYS 18 -5.723 -5.052 -8.508
155 H THR 19 HN THR 19 -4.889 -0.285 -7.368
156 HA THR 19 HA THR 19 -3.329 1.670 -5.933
157 HB THR 19 HB THR 19 -5.235 3.003 -5.984
158 HG1 THR 19 HG1 THR 19 -6.754 0.615 -6.209
159 HG21 THR 19 HG21 THR 19 -6.032 2.928 -8.166
160 HG22 THR 19 HG22 THR 19 -5.852 1.174 -8.248
161 HG23 THR 19 HG23 THR 19 -4.422 2.204 -8.236
162 H TRP 20 HN TRP 20 -2.829 1.494 -3.900
163 HA TRP 20 HA TRP 20 -4.763 0.385 -2.051
164 HB2 TRP 20 HB2 TRP 20 -3.692 -1.545 -2.886
165 HB3 TRP 20 HB1 TRP 20 -2.108 -0.818 -2.740
166 HD1 TRP 20 HD1 TRP 20 -4.525 -2.962 -0.845
167 HE1 TRP 20 HE1 TRP 20 -3.584 -3.445 1.507
168 HE3 TRP 20 HE3 TRP 20 -0.697 0.378 -0.831
169 HZ2 TRP 20 HZ2 TRP 20 -1.486 -2.505 3.154
170 HZ3 TRP 20 HZ3 TRP 20 0.737 0.543 1.166
171 HH2 TRP 20 HH2 TRP 20 0.350 -0.872 3.108
172 H THR 21 HN THR 21 -4.569 1.142 -0.013
173 HA THR 21 HA THR 21 -2.188 2.730 0.669
174 HB THR 21 HB THR 21 -4.144 4.181 0.009
175 HG1 THR 21 HG1 THR 21 -3.694 5.592 1.581
176 HG21 THR 21 HG21 THR 21 -5.379 3.173 2.561
177 HG22 THR 21 HG22 THR 21 -5.950 2.794 0.935
178 HG23 THR 21 HG23 THR 21 -5.992 4.458 1.520
179 H GLY 22 HN GLY 22 -5.075 1.094 1.832
180 HA2 GLY 22 HA2 GLY 22 -3.631 -0.278 3.896
181 HA3 GLY 22 HA1 GLY 22 -4.737 0.949 4.524
182 H GLN 23 HN GLN 23 -4.669 -1.758 2.211
183 HA GLN 23 HA GLN 23 -7.508 -2.130 2.382
184 HB2 GLN 23 HB2 GLN 23 -6.360 -2.545 0.277
185 HB3 GLN 23 HB1 GLN 23 -5.356 -3.778 1.025
186 HG2 GLN 23 HG2 GLN 23 -6.854 -5.250 0.321
187 HG3 GLN 23 HG1 GLN 23 -7.931 -4.618 1.566
188 HE21 GLN 23 HE21 GLN 23 -6.814 -3.426 -1.587
189 HE22 GLN 23 HE22 GLN 23 -8.392 -3.133 -2.226
190 H GLY 24 HN GLY 24 -5.347 -4.901 2.531
191 HA2 GLY 24 HA2 GLY 24 -6.444 -5.537 5.196
192 HA3 GLY 24 HA1 GLY 24 -6.424 -6.731 3.900
193 H ARG 25 HN ARG 25 -4.525 -7.776 3.376
194 HA ARG 25 HA ARG 25 -2.608 -8.047 5.416
195 HB2 ARG 25 HB2 ARG 25 -2.993 -9.849 3.827
196 HB3 ARG 25 HB1 ARG 25 -2.464 -8.825 2.500
197 HG2 ARG 25 HG2 ARG 25 -0.746 -10.423 3.124
198 HG3 ARG 25 HG1 ARG 25 -0.201 -8.766 3.410
199 HD2 ARG 25 HD2 ARG 25 0.316 -9.415 5.480
200 HD3 ARG 25 HD1 ARG 25 -1.411 -9.560 5.797
201 HE ARG 25 HE ARG 25 0.469 -11.713 5.307
202 HH11 ARG 25 HH11 ARG 25 -2.882 -10.757 5.569
203 HH12 ARG 25 HH12 ARG 25 -3.444 -12.367 5.862
204 HH21 ARG 25 HH21 ARG 25 -0.275 -13.828 5.692
205 HH22 ARG 25 HH22 ARG 25 -1.967 -14.109 5.932
206 H THR 26 HN THR 26 -0.346 -7.564 5.324
207 HA THR 26 HA THR 26 0.207 -5.075 3.869
208 HB THR 26 HB THR 26 2.002 -5.797 6.059
209 HG1 THR 26 HG1 THR 26 0.564 -5.438 7.697
210 HG21 THR 26 HG21 THR 26 0.414 -3.298 6.047
211 HG22 THR 26 HG22 THR 26 1.608 -3.527 4.769
212 HG23 THR 26 HG23 THR 26 2.107 -3.564 6.461
213 HA PRO 27 HA PRO 27 2.569 -8.265 1.516
214 HB2 PRO 27 HB2 PRO 27 3.551 -5.932 0.116
215 HB3 PRO 27 HB1 PRO 27 2.560 -7.245 -0.507
216 HG2 PRO 27 HG2 PRO 27 1.774 -4.579 0.372
217 HG3 PRO 27 HG1 PRO 27 0.844 -5.774 -0.542
218 HD2 PRO 27 HD2 PRO 27 0.284 -5.073 2.028
219 HD3 PRO 27 HD1 PRO 27 -0.091 -6.670 1.349
220 H LYS 28 HN LYS 28 4.755 -8.774 1.582
221 HA LYS 28 HA LYS 28 6.247 -8.128 3.741
222 HB2 LYS 28 HB2 LYS 28 7.020 -9.087 1.019
223 HB3 LYS 28 HB1 LYS 28 8.272 -8.739 2.204
224 HG2 LYS 28 HG2 LYS 28 7.437 -11.139 2.040
225 HG3 LYS 28 HG1 LYS 28 7.542 -10.423 3.649
226 HD2 LYS 28 HD2 LYS 28 5.124 -9.920 3.556
227 HD3 LYS 28 HD1 LYS 28 5.042 -10.701 1.975
228 HE2 LYS 28 HE2 LYS 28 4.330 -12.349 3.473
229 HE3 LYS 28 HE1 LYS 28 6.013 -12.758 3.140
230 HZ1 LYS 28 HZ1 LYS 28 5.255 -12.805 5.546
231 HZ2 LYS 28 HZ2 LYS 28 5.249 -11.115 5.476
232 HZ3 LYS 28 HZ3 LYS 28 6.687 -11.967 5.214
233 HA PRO 29 HA PRO 29 8.823 -4.742 1.356
234 HB2 PRO 29 HB2 PRO 29 7.408 -3.568 -0.714
235 HB3 PRO 29 HB1 PRO 29 8.677 -4.789 -0.918
236 HG2 PRO 29 HG2 PRO 29 5.705 -5.119 -0.909
237 HG3 PRO 29 HG1 PRO 29 6.921 -5.909 -1.930
238 HD2 PRO 29 HD2 PRO 29 5.787 -7.179 0.142
239 HD3 PRO 29 HD1 PRO 29 7.495 -7.437 -0.282
240 H ILE 30 HN ILE 30 5.339 -4.189 0.869
241 HA ILE 30 HA ILE 30 5.319 -1.558 1.851
242 HB ILE 30 HB ILE 30 3.069 -3.566 1.762
243 HG12 ILE 30 HG12 ILE 30 4.297 -2.920 -0.401
244 HG13 ILE 30 HG11 ILE 30 2.546 -2.752 -0.381
245 HG21 ILE 30 HG21 ILE 30 3.194 -0.940 2.889
246 HG22 ILE 30 HG22 ILE 30 1.840 -2.068 2.833
247 HG23 ILE 30 HG23 ILE 30 2.103 -0.939 1.506
248 HD11 ILE 30 HD11 ILE 30 4.288 -0.417 0.278
249 HD12 ILE 30 HD12 ILE 30 2.641 -0.444 -0.356
250 HD13 ILE 30 HD13 ILE 30 3.997 -0.876 -1.400
251 H ALA 31 HN ALA 31 5.083 -4.659 3.451
252 HA ALA 31 HA ALA 31 3.969 -3.941 5.883
253 HB1 ALA 31 HB1 ALA 31 4.246 -6.162 5.977
254 HB2 ALA 31 HB2 ALA 31 5.851 -5.797 6.610
255 HB3 ALA 31 HB3 ALA 31 5.634 -6.126 4.891
256 H GLN 32 HN GLN 32 7.328 -3.730 4.797
257 HA GLN 32 HA GLN 32 8.356 -2.762 7.263
258 HB2 GLN 32 HB2 GLN 32 9.495 -2.304 4.502
259 HB3 GLN 32 HB1 GLN 32 10.363 -2.238 6.029
260 HG2 GLN 32 HG2 GLN 32 10.363 -4.535 6.281
261 HG3 GLN 32 HG1 GLN 32 8.999 -4.756 5.185
262 HE21 GLN 32 HE21 GLN 32 11.912 -2.840 4.677
263 HE22 GLN 32 HE22 GLN 32 12.495 -3.750 3.329
264 H ALA 33 HN ALA 33 7.000 -1.246 4.393
265 HA ALA 33 HA ALA 33 7.694 1.424 5.092
266 HB1 ALA 33 HB1 ALA 33 5.806 0.192 3.129
267 HB2 ALA 33 HB2 ALA 33 7.249 1.163 2.838
268 HB3 ALA 33 HB3 ALA 33 5.774 1.930 3.425
269 H LEU 34 HN LEU 34 4.678 -0.443 5.396
270 HA LEU 34 HA LEU 34 3.256 1.649 6.695
271 HB2 LEU 34 HB2 LEU 34 2.778 -1.176 6.010
272 HB3 LEU 34 HB1 LEU 34 1.914 -0.600 7.424
273 HG LEU 34 HG LEU 34 1.752 0.506 4.625
274 HD11 LEU 34 HD11 LEU 34 -0.549 -0.194 4.718
275 HD12 LEU 34 HD12 LEU 34 -0.356 -0.730 6.389
276 HD13 LEU 34 HD13 LEU 34 0.492 -1.570 5.090
277 HD21 LEU 34 HD21 LEU 34 1.531 2.442 5.829
278 HD22 LEU 34 HD22 LEU 34 0.891 1.618 7.249
279 HD23 LEU 34 HD23 LEU 34 -0.137 1.871 5.837
280 H ALA 35 HN ALA 35 5.117 -1.104 7.795
281 HA ALA 35 HA ALA 35 4.423 -1.051 10.508
282 HB1 ALA 35 HB1 ALA 35 6.920 -1.959 9.096
283 HB2 ALA 35 HB2 ALA 35 5.599 -2.943 9.727
284 HB3 ALA 35 HB3 ALA 35 6.698 -2.126 10.838
285 H GLU 36 HN GLU 36 6.592 0.921 8.623
286 HA GLU 36 HA GLU 36 7.925 2.107 10.868
287 HB2 GLU 36 HB2 GLU 36 7.823 2.682 7.924
288 HB3 GLU 36 HB1 GLU 36 8.558 3.836 9.027
289 HG2 GLU 36 HG2 GLU 36 9.388 0.982 8.560
290 HG3 GLU 36 HG1 GLU 36 10.269 2.446 8.106
291 H GLY 37 HN GLY 37 4.891 2.545 9.364
292 HA2 GLY 37 HA2 GLY 37 3.262 3.887 10.571
293 HA3 GLY 37 HA1 GLY 37 4.538 5.067 10.857
294 H LYS 38 HN LYS 38 5.275 4.403 7.868
295 HA LYS 38 HA LYS 38 3.636 6.564 6.807
296 HB2 LYS 38 HB2 LYS 38 5.995 5.126 5.574
297 HB3 LYS 38 HB1 LYS 38 5.213 6.576 4.933
298 HG2 LYS 38 HG2 LYS 38 6.006 7.908 6.700
299 HG3 LYS 38 HG1 LYS 38 6.458 6.501 7.666
300 HD2 LYS 38 HD2 LYS 38 8.401 6.178 6.533
301 HD3 LYS 38 HD1 LYS 38 7.731 6.757 5.006
302 HE2 LYS 38 HE2 LYS 38 7.827 9.064 5.876
303 HE3 LYS 38 HE1 LYS 38 8.571 8.455 7.353
304 HZ1 LYS 38 HZ1 LYS 38 9.714 8.201 4.623
305 HZ2 LYS 38 HZ2 LYS 38 10.433 7.653 6.052
306 HZ3 LYS 38 HZ3 LYS 38 10.217 9.311 5.798
307 H SER 39 HN SER 39 2.382 6.419 4.947
308 HA SER 39 HA SER 39 1.336 3.755 4.390
309 HB2 SER 39 HB2 SER 39 0.300 6.457 4.325
310 HB3 SER 39 HB1 SER 39 -0.004 5.639 2.783
311 HG SER 39 HG SER 39 -0.585 4.465 5.297
312 H LEU 40 HN LEU 40 0.475 3.976 1.797
313 HA LEU 40 HA LEU 40 2.796 3.309 0.345
314 HB2 LEU 40 HB2 LEU 40 0.564 2.408 -0.165
315 HB3 LEU 40 HB1 LEU 40 0.057 3.996 -0.716
316 HG LEU 40 HG LEU 40 1.739 3.905 -2.514
317 HD11 LEU 40 HD11 LEU 40 2.932 1.846 -2.978
318 HD12 LEU 40 HD12 LEU 40 2.232 1.096 -1.543
319 HD13 LEU 40 HD13 LEU 40 3.348 2.451 -1.374
320 HD21 LEU 40 HD21 LEU 40 -0.013 1.456 -2.504
321 HD22 LEU 40 HD22 LEU 40 0.600 2.328 -3.910
322 HD23 LEU 40 HD23 LEU 40 -0.584 3.089 -2.848
323 H ASP 41 HN ASP 41 1.571 6.346 1.135
324 HA ASP 41 HA ASP 41 1.919 7.893 -1.120
325 HB2 ASP 41 HB2 ASP 41 2.501 8.567 1.769
326 HB3 ASP 41 HB1 ASP 41 2.460 9.758 0.472
327 H ASP 42 HN ASP 42 4.328 6.320 0.805
328 HA ASP 42 HA ASP 42 6.540 7.936 0.052
329 HB2 ASP 42 HB2 ASP 42 6.202 6.012 1.911
330 HB3 ASP 42 HB1 ASP 42 7.007 5.068 0.654
331 H PHE 43 HN PHE 43 5.146 4.944 -1.236
332 HA PHE 43 HA PHE 43 6.922 5.200 -3.573
333 HB2 PHE 43 HB2 PHE 43 5.428 2.670 -3.060
334 HB3 PHE 43 HB1 PHE 43 7.016 2.912 -3.791
335 HD1 PHE 43 HD2 PHE 43 8.680 4.147 -1.957
336 HD2 PHE 43 HD1 PHE 43 5.483 1.462 -1.132
337 HE1 PHE 43 HE2 PHE 43 9.750 3.534 0.172
338 HE2 PHE 43 HE1 PHE 43 6.547 0.844 0.999
339 HZ PHE 43 HZ PHE 43 8.684 1.880 1.653
340 H LEU 44 HN LEU 44 4.353 6.600 -3.104
341 HA LEU 44 HA LEU 44 2.272 5.430 -4.565
342 HB2 LEU 44 HB2 LEU 44 1.177 7.454 -4.403
343 HB3 LEU 44 HB1 LEU 44 2.283 7.526 -3.048
344 HG LEU 44 HG LEU 44 3.820 8.782 -4.798
345 HD11 LEU 44 HD11 LEU 44 1.338 9.979 -5.790
346 HD12 LEU 44 HD12 LEU 44 1.656 8.355 -6.399
347 HD13 LEU 44 HD13 LEU 44 2.849 9.633 -6.630
348 HD21 LEU 44 HD21 LEU 44 1.628 9.736 -3.037
349 HD22 LEU 44 HD22 LEU 44 2.405 10.909 -4.101
350 HD23 LEU 44 HD23 LEU 44 3.368 10.007 -2.931
351 H ILE 45 HN ILE 45 2.250 4.835 -6.613
352 HA ILE 45 HA ILE 45 2.700 4.702 -8.841
353 HB ILE 45 HB ILE 45 2.981 7.702 -8.721
354 HG12 ILE 45 HG12 ILE 45 0.913 6.951 -7.590
355 HG13 ILE 45 HG11 ILE 45 0.574 7.827 -9.079
356 HG21 ILE 45 HG21 ILE 45 2.018 7.513 -11.034
357 HG22 ILE 45 HG22 ILE 45 2.265 5.771 -10.916
358 HG23 ILE 45 HG23 ILE 45 3.647 6.865 -10.842
359 HD11 ILE 45 HD11 ILE 45 0.432 4.861 -8.624
360 HD12 ILE 45 HD12 ILE 45 0.313 5.617 -10.214
361 HD13 ILE 45 HD13 ILE 45 -0.895 5.968 -8.977
Start of MODEL 6
1 H1 ARG 1 HT1 ARG 1 -9.188 -0.961 8.664
2 H2 ARG 1 HT2 ARG 1 -8.774 -0.315 10.199
3 H3 ARG 1 HT3 ARG 1 -7.873 0.128 8.807
4 HA ARG 1 HA ARG 1 -10.745 0.657 9.063
5 HB2 ARG 1 HB2 ARG 1 -8.427 1.960 10.343
6 HB3 ARG 1 HB1 ARG 1 -9.530 3.054 9.521
7 HG2 ARG 1 HG2 ARG 1 -10.065 2.789 11.897
8 HG3 ARG 1 HG1 ARG 1 -11.380 2.252 10.849
9 HD2 ARG 1 HD2 ARG 1 -10.787 -0.048 11.186
10 HD3 ARG 1 HD1 ARG 1 -9.328 0.409 12.065
11 HE ARG 1 HE ARG 1 -12.010 0.294 13.092
12 HH11 ARG 1 HH11 ARG 1 -8.850 1.717 13.499
13 HH12 ARG 1 HH12 ARG 1 -9.076 2.042 15.185
14 HH21 ARG 1 HH21 ARG 1 -12.310 0.722 15.309
15 HH22 ARG 1 HH22 ARG 1 -11.040 1.477 16.213
16 H GLN 2 HN GLN 2 -10.753 0.150 6.789
17 HA GLN 2 HA GLN 2 -9.112 1.264 4.848
18 HB2 GLN 2 HB2 GLN 2 -11.117 -0.480 4.753
19 HB3 GLN 2 HB1 GLN 2 -12.009 0.945 4.239
20 HG2 GLN 2 HG2 GLN 2 -10.555 1.262 2.368
21 HG3 GLN 2 HG1 GLN 2 -9.475 -0.012 2.933
22 HE21 GLN 2 HE21 GLN 2 -11.224 0.449 0.476
23 HE22 GLN 2 HE22 GLN 2 -12.068 -1.047 0.290
24 HA PRO 3 HA PRO 3 -10.708 5.493 5.236
25 HB2 PRO 3 HB2 PRO 3 -8.263 6.631 4.602
26 HB3 PRO 3 HB1 PRO 3 -8.786 6.221 6.241
27 HG2 PRO 3 HG2 PRO 3 -6.672 5.033 4.727
28 HG3 PRO 3 HG1 PRO 3 -7.229 4.589 6.346
29 HD2 PRO 3 HD2 PRO 3 -7.847 3.348 3.720
30 HD3 PRO 3 HD1 PRO 3 -7.858 2.629 5.352
31 H ARG 4 HN ARG 4 -10.957 7.220 3.574
32 HA ARG 4 HA ARG 4 -11.496 6.305 1.029
33 HB2 ARG 4 HB2 ARG 4 -12.167 8.539 1.876
34 HB3 ARG 4 HB1 ARG 4 -10.499 9.077 1.739
35 HG2 ARG 4 HG2 ARG 4 -10.553 9.037 -0.594
36 HG3 ARG 4 HG1 ARG 4 -11.999 8.026 -0.632
37 HD2 ARG 4 HD2 ARG 4 -13.392 9.781 -0.351
38 HD3 ARG 4 HD1 ARG 4 -12.288 10.616 0.741
39 HE ARG 4 HE ARG 4 -11.419 11.749 -1.050
40 HH11 ARG 4 HH11 ARG 4 -13.321 9.066 -2.217
41 HH12 ARG 4 HH12 ARG 4 -13.243 9.569 -3.872
42 HH21 ARG 4 HH21 ARG 4 -11.316 12.412 -3.227
43 HH22 ARG 4 HH22 ARG 4 -12.105 11.468 -4.446
44 HA PRO 5 HA PRO 5 -7.158 5.707 -0.080
45 HB2 PRO 5 HB2 PRO 5 -7.420 3.459 -1.433
46 HB3 PRO 5 HB1 PRO 5 -7.700 3.475 0.309
47 HG2 PRO 5 HG2 PRO 5 -9.700 3.495 -1.921
48 HG3 PRO 5 HG1 PRO 5 -9.714 2.562 -0.413
49 HD2 PRO 5 HD2 PRO 5 -11.056 4.970 -0.839
50 HD3 PRO 5 HD1 PRO 5 -10.678 4.269 0.749
51 H ALA 6 HN ALA 6 -6.035 6.480 -1.776
52 HA ALA 6 HA ALA 6 -7.554 7.338 -4.122
53 HB1 ALA 6 HB1 ALA 6 -4.722 8.123 -3.842
54 HB2 ALA 6 HB2 ALA 6 -5.830 8.738 -2.616
55 HB3 ALA 6 HB3 ALA 6 -6.124 9.080 -4.321
56 H LYS 7 HN LYS 7 -5.349 7.556 -5.913
57 HA LYS 7 HA LYS 7 -5.037 4.723 -6.597
58 HB2 LYS 7 HB2 LYS 7 -6.043 6.041 -8.345
59 HB3 LYS 7 HB1 LYS 7 -4.754 7.236 -8.249
60 HG2 LYS 7 HG2 LYS 7 -4.151 4.385 -8.973
61 HG3 LYS 7 HG1 LYS 7 -4.755 5.521 -10.184
62 HD2 LYS 7 HD2 LYS 7 -2.182 5.650 -8.619
63 HD3 LYS 7 HD1 LYS 7 -2.398 5.563 -10.364
64 HE2 LYS 7 HE2 LYS 7 -3.745 7.850 -9.777
65 HE3 LYS 7 HE1 LYS 7 -2.468 7.880 -8.558
66 HZ1 LYS 7 HZ1 LYS 7 -1.587 7.209 -11.231
67 HZ2 LYS 7 HZ2 LYS 7 -0.905 8.262 -10.098
68 HZ3 LYS 7 HZ3 LYS 7 -2.191 8.781 -11.065
69 H TYR 8 HN TYR 8 -3.145 3.743 -6.482
70 HA TYR 8 HA TYR 8 -0.653 5.212 -6.670
71 HB2 TYR 8 HB2 TYR 8 -1.461 3.696 -4.180
72 HB3 TYR 8 HB1 TYR 8 0.205 4.154 -4.546
73 HD1 TYR 8 HD1 TYR 8 -0.122 6.854 -5.629
74 HD2 TYR 8 HD2 TYR 8 -2.070 4.991 -2.339
75 HE1 TYR 8 HE1 TYR 8 -0.518 9.058 -4.628
76 HE2 TYR 8 HE2 TYR 8 -2.467 7.194 -1.320
77 HH TYR 8 HH TYR 8 -1.972 10.125 -3.031
78 H LYS 9 HN LYS 9 1.236 3.648 -6.560
79 HA LYS 9 HA LYS 9 0.412 1.099 -7.778
80 HB2 LYS 9 HB2 LYS 9 1.373 2.472 -9.474
81 HB3 LYS 9 HB1 LYS 9 2.730 2.908 -8.444
82 HG2 LYS 9 HG2 LYS 9 3.314 1.286 -10.201
83 HG3 LYS 9 HG1 LYS 9 3.612 0.683 -8.570
84 HD2 LYS 9 HD2 LYS 9 2.582 -1.024 -10.009
85 HD3 LYS 9 HD1 LYS 9 1.548 -0.599 -8.644
86 HE2 LYS 9 HE2 LYS 9 0.418 -0.822 -10.907
87 HE3 LYS 9 HE1 LYS 9 0.092 0.654 -10.000
88 HZ1 LYS 9 HZ1 LYS 9 1.713 1.814 -11.348
89 HZ2 LYS 9 HZ2 LYS 9 0.542 1.101 -12.339
90 HZ3 LYS 9 HZ3 LYS 9 2.072 0.396 -12.199
91 H PHE 10 HN PHE 10 0.988 -0.638 -6.739
92 HA PHE 10 HA PHE 10 3.495 -0.941 -5.380
93 HB2 PHE 10 HB2 PHE 10 2.853 -0.824 -3.186
94 HB3 PHE 10 HB1 PHE 10 1.639 0.274 -3.832
95 HD1 PHE 10 HD2 PHE 10 -0.239 -1.574 -5.091
96 HD2 PHE 10 HD1 PHE 10 1.829 -1.885 -1.391
97 HE1 PHE 10 HE2 PHE 10 -2.014 -3.042 -4.238
98 HE2 PHE 10 HE1 PHE 10 0.057 -3.363 -0.527
99 HZ PHE 10 HZ PHE 10 -1.864 -3.945 -1.958
100 H THR 11 HN THR 11 3.396 -3.179 -4.139
101 HA THR 11 HA THR 11 1.897 -5.024 -5.882
102 HB THR 11 HB THR 11 4.326 -5.749 -4.247
103 HG1 THR 11 HG1 THR 11 4.185 -4.654 -6.849
104 HG21 THR 11 HG21 THR 11 3.476 -6.976 -6.836
105 HG22 THR 11 HG22 THR 11 2.796 -7.515 -5.300
106 HG23 THR 11 HG23 THR 11 4.533 -7.628 -5.583
107 H ASP 12 HN ASP 12 0.135 -5.796 -4.917
108 HA ASP 12 HA ASP 12 -0.542 -5.683 -2.229
109 HB2 ASP 12 HB2 ASP 12 -1.870 -6.413 -4.431
110 HB3 ASP 12 HB1 ASP 12 -1.527 -8.017 -3.792
111 H VAL 13 HN VAL 13 -1.137 -7.864 -1.014
112 HA VAL 13 HA VAL 13 1.379 -9.056 -0.335
113 HB VAL 13 HB VAL 13 -0.264 -8.504 1.407
114 HG11 VAL 13 HG11 VAL 13 -2.319 -8.926 0.290
115 HG12 VAL 13 HG12 VAL 13 -2.232 -10.050 1.647
116 HG13 VAL 13 HG13 VAL 13 -1.897 -10.615 0.011
117 HG21 VAL 13 HG21 VAL 13 1.435 -10.317 1.707
118 HG22 VAL 13 HG22 VAL 13 0.187 -11.483 1.268
119 HG23 VAL 13 HG23 VAL 13 -0.003 -10.490 2.713
120 H ASN 14 HN ASN 14 -1.193 -9.846 -2.414
121 HA ASN 14 HA ASN 14 -0.450 -12.673 -2.472
122 HB2 ASN 14 HB2 ASN 14 -2.869 -11.507 -2.414
123 HB3 ASN 14 HB1 ASN 14 -2.655 -11.670 -4.160
124 HD21 ASN 14 HD21 ASN 14 -2.305 -13.532 -1.164
125 HD22 ASN 14 HD22 ASN 14 -2.884 -15.031 -1.823
126 H GLY 15 HN GLY 15 1.022 -10.276 -3.748
127 HA2 GLY 15 HA2 GLY 15 2.523 -10.397 -5.551
128 HA3 GLY 15 HA1 GLY 15 1.529 -11.665 -6.263
129 H GLU 16 HN GLU 16 -0.784 -9.603 -5.579
130 HA GLU 16 HA GLU 16 -1.028 -8.635 -8.228
131 HB2 GLU 16 HB2 GLU 16 -2.493 -7.766 -5.728
132 HB3 GLU 16 HB1 GLU 16 -2.976 -7.387 -7.375
133 HG2 GLU 16 HG2 GLU 16 -2.603 -10.241 -6.870
134 HG3 GLU 16 HG1 GLU 16 -3.880 -9.494 -5.911
135 H THR 17 HN THR 17 -1.607 -6.139 -8.472
136 HA THR 17 HA THR 17 0.118 -4.406 -6.947
137 HB THR 17 HB THR 17 0.697 -4.993 -9.854
138 HG1 THR 17 HG1 THR 17 2.110 -6.257 -8.998
139 HG21 THR 17 HG21 THR 17 1.023 -2.526 -8.602
140 HG22 THR 17 HG22 THR 17 1.748 -3.068 -10.116
141 HG23 THR 17 HG23 THR 17 2.620 -3.274 -8.597
142 H LYS 18 HN LYS 18 -1.679 -3.150 -6.495
143 HA LYS 18 HA LYS 18 -2.621 -1.517 -8.732
144 HB2 LYS 18 HB2 LYS 18 -4.186 -3.540 -7.536
145 HB3 LYS 18 HB1 LYS 18 -4.829 -1.998 -6.959
146 HG2 LYS 18 HG2 LYS 18 -5.967 -2.699 -8.985
147 HG3 LYS 18 HG1 LYS 18 -5.050 -1.212 -9.259
148 HD2 LYS 18 HD2 LYS 18 -4.846 -2.874 -11.104
149 HD3 LYS 18 HD1 LYS 18 -3.304 -2.426 -10.375
150 HE2 LYS 18 HE2 LYS 18 -3.357 -4.810 -10.740
151 HE3 LYS 18 HE1 LYS 18 -3.391 -4.485 -9.009
152 HZ1 LYS 18 HZ1 LYS 18 -5.388 -5.720 -10.694
153 HZ2 LYS 18 HZ2 LYS 18 -6.005 -4.588 -9.599
154 HZ3 LYS 18 HZ3 LYS 18 -5.105 -5.904 -9.036
155 H THR 19 HN THR 19 -4.562 -0.084 -7.355
156 HA THR 19 HA THR 19 -2.957 1.779 -5.930
157 HB THR 19 HB THR 19 -4.962 3.069 -5.720
158 HG1 THR 19 HG1 THR 19 -6.258 0.638 -6.382
159 HG21 THR 19 HG21 THR 19 -5.278 1.645 -8.302
160 HG22 THR 19 HG22 THR 19 -3.846 2.613 -7.959
161 HG23 THR 19 HG23 THR 19 -5.447 3.366 -7.948
162 H TRP 20 HN TRP 20 -2.471 1.851 -3.901
163 HA TRP 20 HA TRP 20 -4.238 0.633 -1.952
164 HB2 TRP 20 HB2 TRP 20 -2.804 -1.098 -2.941
165 HB3 TRP 20 HB1 TRP 20 -1.391 -0.222 -2.374
166 HD1 TRP 20 HD1 TRP 20 -4.400 -2.197 -0.986
167 HE1 TRP 20 HE1 TRP 20 -3.788 -3.040 1.368
168 HE3 TRP 20 HE3 TRP 20 0.108 0.122 -0.437
169 HZ2 TRP 20 HZ2 TRP 20 -1.678 -2.762 3.213
170 HZ3 TRP 20 HZ3 TRP 20 1.355 -0.206 1.656
171 HH2 TRP 20 HH2 TRP 20 0.487 -1.629 3.435
172 H THR 21 HN THR 21 -4.117 1.513 0.024
173 HA THR 21 HA THR 21 -1.902 3.342 0.638
174 HB THR 21 HB THR 21 -4.858 3.892 0.735
175 HG1 THR 21 HG1 THR 21 -4.263 5.207 -0.757
176 HG21 THR 21 HG21 THR 21 -4.620 4.712 2.817
177 HG22 THR 21 HG22 THR 21 -3.906 6.077 1.958
178 HG23 THR 21 HG23 THR 21 -2.867 4.850 2.683
179 H GLY 22 HN GLY 22 -4.659 1.519 1.849
180 HA2 GLY 22 HA2 GLY 22 -3.130 0.346 3.967
181 HA3 GLY 22 HA1 GLY 22 -4.296 1.536 4.557
182 H GLN 23 HN GLN 23 -4.381 -0.925 1.984
183 HA GLN 23 HA GLN 23 -7.097 -1.612 2.621
184 HB2 GLN 23 HB2 GLN 23 -5.812 -1.548 0.298
185 HB3 GLN 23 HB1 GLN 23 -5.486 -3.230 0.697
186 HG2 GLN 23 HG2 GLN 23 -7.419 -3.508 -0.440
187 HG3 GLN 23 HG1 GLN 23 -8.096 -3.229 1.164
188 HE21 GLN 23 HE21 GLN 23 -7.592 -1.919 -2.007
189 HE22 GLN 23 HE22 GLN 23 -8.669 -0.578 -1.850
190 H GLY 24 HN GLY 24 -5.770 -2.227 4.871
191 HA2 GLY 24 HA2 GLY 24 -5.503 -3.933 6.382
192 HA3 GLY 24 HA1 GLY 24 -6.420 -4.925 5.254
193 H ARG 25 HN ARG 25 -5.239 -6.027 3.535
194 HA ARG 25 HA ARG 25 -3.107 -7.503 4.392
195 HB2 ARG 25 HB2 ARG 25 -2.949 -8.386 2.275
196 HB3 ARG 25 HB1 ARG 25 -4.560 -7.692 2.213
197 HG2 ARG 25 HG2 ARG 25 -2.067 -6.371 1.137
198 HG3 ARG 25 HG1 ARG 25 -3.239 -7.276 0.176
199 HD2 ARG 25 HD2 ARG 25 -3.956 -4.886 1.851
200 HD3 ARG 25 HD1 ARG 25 -3.528 -4.782 0.147
201 HE ARG 25 HE ARG 25 -5.933 -6.036 1.265
202 HH11 ARG 25 HH11 ARG 25 -4.114 -4.987 -1.533
203 HH12 ARG 25 HH12 ARG 25 -5.458 -5.142 -2.611
204 HH21 ARG 25 HH21 ARG 25 -7.689 -6.238 -0.159
205 HH22 ARG 25 HH22 ARG 25 -7.483 -5.851 -1.835
206 H THR 26 HN THR 26 -1.048 -7.127 4.819
207 HA THR 26 HA THR 26 0.150 -4.681 3.714
208 HB THR 26 HB THR 26 1.491 -5.951 5.998
209 HG1 THR 26 HG1 THR 26 -0.171 -6.033 7.249
210 HG21 THR 26 HG21 THR 26 0.475 -3.159 5.986
211 HG22 THR 26 HG22 THR 26 1.800 -3.592 4.905
212 HG23 THR 26 HG23 THR 26 1.973 -3.817 6.647
213 HA PRO 27 HA PRO 27 2.145 -8.087 1.308
214 HB2 PRO 27 HB2 PRO 27 3.495 -5.948 -0.045
215 HB3 PRO 27 HB1 PRO 27 2.229 -7.000 -0.673
216 HG2 PRO 27 HG2 PRO 27 2.050 -4.268 0.414
217 HG3 PRO 27 HG1 PRO 27 0.957 -5.116 -0.688
218 HD2 PRO 27 HD2 PRO 27 0.304 -4.601 1.872
219 HD3 PRO 27 HD1 PRO 27 -0.243 -6.066 1.033
220 H LYS 28 HN LYS 28 4.140 -8.943 1.627
221 HA LYS 28 HA LYS 28 5.608 -8.448 3.829
222 HB2 LYS 28 HB2 LYS 28 6.264 -9.719 1.227
223 HB3 LYS 28 HB1 LYS 28 7.583 -9.430 2.354
224 HG2 LYS 28 HG2 LYS 28 6.591 -11.685 2.546
225 HG3 LYS 28 HG1 LYS 28 6.515 -10.754 4.042
226 HD2 LYS 28 HD2 LYS 28 4.395 -11.722 3.883
227 HD3 LYS 28 HD1 LYS 28 4.147 -10.089 3.265
228 HE2 LYS 28 HE2 LYS 28 4.033 -10.824 1.048
229 HE3 LYS 28 HE1 LYS 28 4.799 -12.366 1.424
230 HZ1 LYS 28 HZ1 LYS 28 2.863 -13.261 2.124
231 HZ2 LYS 28 HZ2 LYS 28 2.195 -12.105 1.085
232 HZ3 LYS 28 HZ3 LYS 28 2.265 -11.806 2.748
233 HA PRO 29 HA PRO 29 8.844 -5.659 1.518
234 HB2 PRO 29 HB2 PRO 29 7.861 -4.389 -0.723
235 HB3 PRO 29 HB1 PRO 29 8.867 -5.850 -0.751
236 HG2 PRO 29 HG2 PRO 29 5.900 -5.580 -1.001
237 HG3 PRO 29 HG1 PRO 29 7.007 -6.662 -1.864
238 HD2 PRO 29 HD2 PRO 29 5.465 -7.518 0.172
239 HD3 PRO 29 HD1 PRO 29 7.092 -8.175 -0.119
240 H ILE 30 HN ILE 30 5.657 -4.394 0.533
241 HA ILE 30 HA ILE 30 6.078 -1.797 1.468
242 HB ILE 30 HB ILE 30 3.417 -3.195 1.256
243 HG12 ILE 30 HG12 ILE 30 5.212 -2.988 -0.780
244 HG13 ILE 30 HG11 ILE 30 3.467 -3.013 -1.004
245 HG21 ILE 30 HG21 ILE 30 2.935 -1.222 2.307
246 HG22 ILE 30 HG22 ILE 30 2.820 -0.726 0.618
247 HG23 ILE 30 HG23 ILE 30 4.274 -0.361 1.547
248 HD11 ILE 30 HD11 ILE 30 5.138 -0.520 -0.778
249 HD12 ILE 30 HD12 ILE 30 3.411 -0.606 -1.131
250 HD13 ILE 30 HD13 ILE 30 4.583 -1.242 -2.288
251 H ALA 31 HN ALA 31 4.975 -4.678 3.113
252 HA ALA 31 HA ALA 31 3.771 -3.594 5.365
253 HB1 ALA 31 HB1 ALA 31 3.539 -5.858 5.348
254 HB2 ALA 31 HB2 ALA 31 4.894 -5.734 6.469
255 HB3 ALA 31 HB3 ALA 31 5.184 -6.136 4.777
256 H GLN 32 HN GLN 32 7.201 -4.296 4.778
257 HA GLN 32 HA GLN 32 8.166 -3.474 7.283
258 HB2 GLN 32 HB2 GLN 32 9.554 -4.731 5.721
259 HB3 GLN 32 HB1 GLN 32 9.501 -3.407 4.567
260 HG2 GLN 32 HG2 GLN 32 10.503 -2.134 6.724
261 HG3 GLN 32 HG1 GLN 32 11.144 -3.757 6.976
262 HE21 GLN 32 HE21 GLN 32 10.557 -1.796 4.078
263 HE22 GLN 32 HE22 GLN 32 12.170 -1.905 3.467
264 H ALA 33 HN ALA 33 7.490 -1.727 4.297
265 HA ALA 33 HA ALA 33 8.543 0.773 5.114
266 HB1 ALA 33 HB1 ALA 33 6.488 0.032 3.044
267 HB2 ALA 33 HB2 ALA 33 8.190 0.419 2.795
268 HB3 ALA 33 HB3 ALA 33 7.062 1.680 3.292
269 H LEU 34 HN LEU 34 5.235 -0.548 5.159
270 HA LEU 34 HA LEU 34 4.050 1.732 6.348
271 HB2 LEU 34 HB2 LEU 34 3.249 -1.065 5.805
272 HB3 LEU 34 HB1 LEU 34 2.390 -0.270 7.106
273 HG LEU 34 HG LEU 34 2.390 0.376 4.181
274 HD11 LEU 34 HD11 LEU 34 0.058 0.162 4.374
275 HD12 LEU 34 HD12 LEU 34 0.110 0.294 6.132
276 HD13 LEU 34 HD13 LEU 34 0.724 -1.156 5.339
277 HD21 LEU 34 HD21 LEU 34 0.888 2.371 5.255
278 HD22 LEU 34 HD22 LEU 34 2.548 2.556 4.691
279 HD23 LEU 34 HD23 LEU 34 2.224 2.284 6.404
280 H ALA 35 HN ALA 35 5.522 -1.171 7.610
281 HA ALA 35 HA ALA 35 4.723 -0.972 10.285
282 HB1 ALA 35 HB1 ALA 35 5.800 -2.960 9.270
283 HB2 ALA 35 HB2 ALA 35 6.543 -2.468 10.792
284 HB3 ALA 35 HB3 ALA 35 7.332 -2.086 9.262
285 H GLU 36 HN GLU 36 7.113 0.770 8.466
286 HA GLU 36 HA GLU 36 8.573 1.754 10.721
287 HB2 GLU 36 HB2 GLU 36 8.413 2.799 7.887
288 HB3 GLU 36 HB1 GLU 36 9.579 3.318 9.096
289 HG2 GLU 36 HG2 GLU 36 9.508 0.426 8.668
290 HG3 GLU 36 HG1 GLU 36 9.991 1.365 7.250
291 H GLY 37 HN GLY 37 5.558 2.530 9.320
292 HA2 GLY 37 HA2 GLY 37 4.084 3.961 10.610
293 HA3 GLY 37 HA1 GLY 37 5.470 5.000 10.932
294 H LYS 38 HN LYS 38 6.004 4.319 7.857
295 HA LYS 38 HA LYS 38 4.666 6.743 6.952
296 HB2 LYS 38 HB2 LYS 38 6.908 5.054 5.885
297 HB3 LYS 38 HB1 LYS 38 6.091 6.223 4.841
298 HG2 LYS 38 HG2 LYS 38 7.696 7.601 5.596
299 HG3 LYS 38 HG1 LYS 38 6.609 7.779 6.975
300 HD2 LYS 38 HD2 LYS 38 8.451 5.489 7.115
301 HD3 LYS 38 HD1 LYS 38 9.219 7.077 7.166
302 HE2 LYS 38 HE2 LYS 38 7.556 7.679 8.971
303 HE3 LYS 38 HE1 LYS 38 7.120 5.971 9.017
304 HZ1 LYS 38 HZ1 LYS 38 9.628 5.616 9.344
305 HZ2 LYS 38 HZ2 LYS 38 8.714 6.159 10.659
306 HZ3 LYS 38 HZ3 LYS 38 9.663 7.250 9.782
307 H SER 39 HN SER 39 3.318 6.861 5.162
308 HA SER 39 HA SER 39 1.842 4.408 4.571
309 HB2 SER 39 HB2 SER 39 1.319 7.333 4.352
310 HB3 SER 39 HB1 SER 39 0.516 6.282 3.173
311 HG SER 39 HG SER 39 -0.125 5.021 5.113
312 H LEU 40 HN LEU 40 0.933 4.636 2.116
313 HA LEU 40 HA LEU 40 3.115 3.908 0.472
314 HB2 LEU 40 HB2 LEU 40 0.223 4.469 -0.129
315 HB3 LEU 40 HB1 LEU 40 1.364 3.945 -1.355
316 HG LEU 40 HG LEU 40 0.196 2.020 -0.642
317 HD11 LEU 40 HD11 LEU 40 2.918 2.213 -0.496
318 HD12 LEU 40 HD12 LEU 40 1.996 0.710 -0.457
319 HD13 LEU 40 HD13 LEU 40 2.504 1.473 1.050
320 HD21 LEU 40 HD21 LEU 40 -0.231 3.312 1.692
321 HD22 LEU 40 HD22 LEU 40 0.973 2.124 2.187
322 HD23 LEU 40 HD23 LEU 40 -0.535 1.597 1.443
323 H ASP 41 HN ASP 41 1.916 6.933 1.295
324 HA ASP 41 HA ASP 41 2.079 8.450 -1.002
325 HB2 ASP 41 HB2 ASP 41 2.580 9.033 1.887
326 HB3 ASP 41 HB1 ASP 41 2.996 10.259 0.693
327 H ASP 42 HN ASP 42 4.639 6.933 0.767
328 HA ASP 42 HA ASP 42 6.750 8.542 -0.325
329 HB2 ASP 42 HB2 ASP 42 6.554 6.138 1.414
330 HB3 ASP 42 HB1 ASP 42 8.055 6.347 0.507
331 H PHE 43 HN PHE 43 5.126 5.557 -1.171
332 HA PHE 43 HA PHE 43 6.892 5.284 -3.514
333 HB2 PHE 43 HB2 PHE 43 5.055 3.078 -2.670
334 HB3 PHE 43 HB1 PHE 43 6.626 2.989 -3.472
335 HD1 PHE 43 HD1 PHE 43 8.601 4.006 -1.938
336 HD2 PHE 43 HD2 PHE 43 4.964 2.306 -0.529
337 HE1 PHE 43 HE1 PHE 43 9.672 3.515 0.222
338 HE2 PHE 43 HE2 PHE 43 6.026 1.813 1.632
339 HZ PHE 43 HZ PHE 43 8.384 2.418 2.011
340 H LEU 44 HN LEU 44 4.472 7.029 -3.145
341 HA LEU 44 HA LEU 44 2.286 5.989 -4.552
342 HB2 LEU 44 HB2 LEU 44 1.511 8.232 -4.761
343 HB3 LEU 44 HB1 LEU 44 2.276 8.073 -3.192
344 HG LEU 44 HG LEU 44 4.371 9.010 -4.567
345 HD11 LEU 44 HD11 LEU 44 2.786 10.939 -5.846
346 HD12 LEU 44 HD12 LEU 44 2.144 9.372 -6.340
347 HD13 LEU 44 HD13 LEU 44 3.848 9.746 -6.593
348 HD21 LEU 44 HD21 LEU 44 4.115 10.840 -3.278
349 HD22 LEU 44 HD22 LEU 44 2.781 9.919 -2.584
350 HD23 LEU 44 HD23 LEU 44 2.464 11.128 -3.828
351 H ILE 45 HN ILE 45 2.100 5.387 -6.588
352 HA ILE 45 HA ILE 45 2.554 5.058 -8.798
353 HB ILE 45 HB ILE 45 3.287 7.970 -8.935
354 HG12 ILE 45 HG12 ILE 45 1.303 7.894 -7.554
355 HG13 ILE 45 HG11 ILE 45 0.846 8.435 -9.166
356 HG21 ILE 45 HG21 ILE 45 1.714 7.511 -11.046
357 HG22 ILE 45 HG22 ILE 45 2.353 5.884 -10.809
358 HG23 ILE 45 HG23 ILE 45 3.456 7.236 -11.069
359 HD11 ILE 45 HD11 ILE 45 -0.642 6.724 -7.976
360 HD12 ILE 45 HD12 ILE 45 0.615 5.557 -8.385
361 HD13 ILE 45 HD13 ILE 45 -0.223 6.435 -9.664
Start of MODEL 7
1 H1 ARG 1 HT1 ARG 1 -11.424 -0.401 9.177
2 H2 ARG 1 HT2 ARG 1 -10.506 0.947 8.639
3 H3 ARG 1 HT3 ARG 1 -10.396 -0.555 7.814
4 HA ARG 1 HA ARG 1 -12.837 -0.325 7.402
5 HB2 ARG 1 HB2 ARG 1 -12.072 2.401 8.426
6 HB3 ARG 1 HB1 ARG 1 -13.422 2.191 7.319
7 HG2 ARG 1 HG2 ARG 1 -14.741 1.236 8.886
8 HG3 ARG 1 HG1 ARG 1 -13.389 0.446 9.701
9 HD2 ARG 1 HD2 ARG 1 -14.020 2.040 11.248
10 HD3 ARG 1 HD1 ARG 1 -12.724 2.862 10.380
11 HE ARG 1 HE ARG 1 -14.256 4.365 9.577
12 HH11 ARG 1 HH11 ARG 1 -15.949 1.625 10.921
13 HH12 ARG 1 HH12 ARG 1 -17.507 2.372 10.803
14 HH21 ARG 1 HH21 ARG 1 -16.304 5.348 9.421
15 HH22 ARG 1 HH22 ARG 1 -17.709 4.485 9.950
16 H GLN 2 HN GLN 2 -13.507 0.970 5.391
17 HA GLN 2 HA GLN 2 -11.144 1.501 3.715
18 HB2 GLN 2 HB2 GLN 2 -13.676 0.225 2.692
19 HB3 GLN 2 HB1 GLN 2 -12.125 0.359 1.874
20 HG2 GLN 2 HG2 GLN 2 -11.169 -1.134 3.642
21 HG3 GLN 2 HG1 GLN 2 -12.815 -1.387 4.220
22 HE21 GLN 2 HE21 GLN 2 -10.669 -1.789 1.470
23 HE22 GLN 2 HE22 GLN 2 -11.537 -3.095 0.744
24 HA PRO 3 HA PRO 3 -13.842 5.145 3.190
25 HB2 PRO 3 HB2 PRO 3 -11.777 6.937 3.680
26 HB3 PRO 3 HB1 PRO 3 -12.902 6.332 4.903
27 HG2 PRO 3 HG2 PRO 3 -10.101 5.832 4.718
28 HG3 PRO 3 HG1 PRO 3 -11.245 5.152 5.884
29 HD2 PRO 3 HD2 PRO 3 -10.151 3.969 3.383
30 HD3 PRO 3 HD1 PRO 3 -10.739 3.164 4.863
31 H ARG 4 HN ARG 4 -13.730 6.820 1.462
32 HA ARG 4 HA ARG 4 -12.726 5.932 -0.949
33 HB2 ARG 4 HB2 ARG 4 -14.181 8.083 -0.245
34 HB3 ARG 4 HB1 ARG 4 -12.632 8.873 -0.504
35 HG2 ARG 4 HG2 ARG 4 -14.163 7.224 -2.503
36 HG3 ARG 4 HG1 ARG 4 -13.950 8.976 -2.514
37 HD2 ARG 4 HD2 ARG 4 -11.375 8.169 -2.424
38 HD3 ARG 4 HD1 ARG 4 -12.096 6.830 -3.317
39 HE ARG 4 HE ARG 4 -12.400 8.227 -5.108
40 HH11 ARG 4 HH11 ARG 4 -11.676 10.144 -2.282
41 HH12 ARG 4 HH12 ARG 4 -11.508 11.620 -3.172
42 HH21 ARG 4 HH21 ARG 4 -12.180 10.168 -6.280
43 HH22 ARG 4 HH22 ARG 4 -11.795 11.634 -5.442
44 HA PRO 5 HA PRO 5 -8.406 6.631 0.168
45 HB2 PRO 5 HB2 PRO 5 -7.372 4.478 -0.949
46 HB3 PRO 5 HB1 PRO 5 -8.440 4.318 0.445
47 HG2 PRO 5 HG2 PRO 5 -9.059 3.910 -2.458
48 HG3 PRO 5 HG1 PRO 5 -9.532 2.922 -1.063
49 HD2 PRO 5 HD2 PRO 5 -11.111 4.879 -2.267
50 HD3 PRO 5 HD1 PRO 5 -11.353 4.223 -0.634
51 H ALA 6 HN ALA 6 -6.354 6.752 -1.169
52 HA ALA 6 HA ALA 6 -6.940 8.262 -3.586
53 HB1 ALA 6 HB1 ALA 6 -4.601 8.037 -1.758
54 HB2 ALA 6 HB2 ALA 6 -5.444 9.473 -2.339
55 HB3 ALA 6 HB3 ALA 6 -4.345 8.602 -3.409
56 H LYS 7 HN LYS 7 -5.254 7.998 -5.413
57 HA LYS 7 HA LYS 7 -5.123 5.134 -6.032
58 HB2 LYS 7 HB2 LYS 7 -6.318 6.483 -7.664
59 HB3 LYS 7 HB1 LYS 7 -4.930 7.555 -7.834
60 HG2 LYS 7 HG2 LYS 7 -4.691 4.625 -8.441
61 HG3 LYS 7 HG1 LYS 7 -5.359 5.749 -9.630
62 HD2 LYS 7 HD2 LYS 7 -2.588 5.723 -8.440
63 HD3 LYS 7 HD1 LYS 7 -3.052 5.550 -10.130
64 HE2 LYS 7 HE2 LYS 7 -3.077 8.021 -8.422
65 HE3 LYS 7 HE1 LYS 7 -2.217 7.737 -9.934
66 HZ1 LYS 7 HZ1 LYS 7 -4.917 8.631 -9.502
67 HZ2 LYS 7 HZ2 LYS 7 -4.804 7.380 -10.636
68 HZ3 LYS 7 HZ3 LYS 7 -3.924 8.807 -10.861
69 H TYR 8 HN TYR 8 -3.272 4.103 -6.178
70 HA TYR 8 HA TYR 8 -0.787 5.438 -6.756
71 HB2 TYR 8 HB2 TYR 8 -1.360 4.200 -4.067
72 HB3 TYR 8 HB1 TYR 8 0.286 4.353 -4.690
73 HD1 TYR 8 HD2 TYR 8 0.009 7.014 -6.058
74 HD2 TYR 8 HD1 TYR 8 -1.298 5.685 -2.235
75 HE1 TYR 8 HE2 TYR 8 0.097 9.322 -5.238
76 HE2 TYR 8 HE1 TYR 8 -1.209 7.996 -1.398
77 HH TYR 8 HH TYR 8 -1.086 10.647 -3.323
78 H LYS 9 HN LYS 9 1.042 3.752 -6.749
79 HA LYS 9 HA LYS 9 -0.089 1.245 -7.799
80 HB2 LYS 9 HB2 LYS 9 0.914 2.547 -9.564
81 HB3 LYS 9 HB1 LYS 9 2.396 2.738 -8.638
82 HG2 LYS 9 HG2 LYS 9 3.186 0.957 -9.681
83 HG3 LYS 9 HG1 LYS 9 2.003 -0.009 -8.799
84 HD2 LYS 9 HD2 LYS 9 1.506 1.330 -11.457
85 HD3 LYS 9 HD1 LYS 9 1.916 -0.373 -11.245
86 HE2 LYS 9 HE2 LYS 9 -0.284 -0.734 -11.131
87 HE3 LYS 9 HE1 LYS 9 -0.198 -0.025 -9.520
88 HZ1 LYS 9 HZ1 LYS 9 -0.398 2.164 -11.022
89 HZ2 LYS 9 HZ2 LYS 9 -1.734 1.358 -10.368
90 HZ3 LYS 9 HZ3 LYS 9 -1.281 1.079 -11.974
91 H PHE 10 HN PHE 10 0.399 -0.521 -6.777
92 HA PHE 10 HA PHE 10 2.938 -1.003 -5.522
93 HB2 PHE 10 HB2 PHE 10 2.413 -0.687 -3.338
94 HB3 PHE 10 HB1 PHE 10 1.072 0.284 -3.934
95 HD1 PHE 10 HD2 PHE 10 -0.801 -1.669 -4.932
96 HD2 PHE 10 HD1 PHE 10 1.677 -1.829 -1.480
97 HE1 PHE 10 HE2 PHE 10 -2.385 -3.225 -3.886
98 HE2 PHE 10 HE1 PHE 10 0.095 -3.396 -0.423
99 HZ PHE 10 HZ PHE 10 -1.939 -4.092 -1.632
100 H THR 11 HN THR 11 2.727 -3.225 -4.275
101 HA THR 11 HA THR 11 0.948 -4.949 -5.874
102 HB THR 11 HB THR 11 2.798 -6.716 -5.227
103 HG1 THR 11 HG1 THR 11 4.245 -4.278 -5.203
104 HG21 THR 11 HG21 THR 11 2.896 -6.644 -7.440
105 HG22 THR 11 HG22 THR 11 4.189 -5.462 -7.238
106 HG23 THR 11 HG23 THR 11 2.529 -4.920 -7.483
107 H ASP 12 HN ASP 12 -0.624 -5.843 -4.710
108 HA ASP 12 HA ASP 12 -0.999 -5.733 -1.967
109 HB2 ASP 12 HB2 ASP 12 -2.006 -7.618 -4.084
110 HB3 ASP 12 HB1 ASP 12 -2.432 -7.865 -2.394
111 H VAL 13 HN VAL 13 -1.258 -7.929 -0.645
112 HA VAL 13 HA VAL 13 1.384 -8.897 -0.211
113 HB VAL 13 HB VAL 13 -0.192 -8.623 1.649
114 HG11 VAL 13 HG11 VAL 13 -1.667 -10.905 0.336
115 HG12 VAL 13 HG12 VAL 13 -2.226 -9.239 0.472
116 HG13 VAL 13 HG13 VAL 13 -2.035 -10.227 1.922
117 HG21 VAL 13 HG21 VAL 13 0.163 -11.532 1.756
118 HG22 VAL 13 HG22 VAL 13 0.782 -10.272 2.823
119 HG23 VAL 13 HG23 VAL 13 1.618 -10.639 1.314
120 H ASN 14 HN ASN 14 -1.073 -9.833 -2.303
121 HA ASN 14 HA ASN 14 -0.138 -12.597 -2.456
122 HB2 ASN 14 HB2 ASN 14 -2.632 -11.557 -2.491
123 HB3 ASN 14 HB1 ASN 14 -2.311 -11.682 -4.223
124 HD21 ASN 14 HD21 ASN 14 -1.928 -13.585 -1.251
125 HD22 ASN 14 HD22 ASN 14 -2.417 -15.097 -1.953
126 H GLY 15 HN GLY 15 0.456 -9.623 -3.896
127 HA2 GLY 15 HA2 GLY 15 2.234 -9.481 -5.521
128 HA3 GLY 15 HA1 GLY 15 1.644 -10.981 -6.229
129 H GLU 16 HN GLU 16 -0.810 -8.757 -5.370
130 HA GLU 16 HA GLU 16 -1.625 -8.448 -8.077
131 HB2 GLU 16 HB2 GLU 16 -2.586 -6.786 -5.751
132 HB3 GLU 16 HB1 GLU 16 -3.450 -7.172 -7.231
133 HG2 GLU 16 HG2 GLU 16 -2.637 -9.512 -5.678
134 HG3 GLU 16 HG1 GLU 16 -3.767 -8.443 -4.849
135 H THR 17 HN THR 17 -2.447 -5.797 -8.257
136 HA THR 17 HA THR 17 -0.195 -4.056 -7.838
137 HB THR 17 HB THR 17 -0.959 -4.288 -10.706
138 HG1 THR 17 HG1 THR 17 -0.311 -6.270 -10.773
139 HG21 THR 17 HG21 THR 17 1.482 -3.856 -10.998
140 HG22 THR 17 HG22 THR 17 1.588 -3.647 -9.249
141 HG23 THR 17 HG23 THR 17 0.583 -2.560 -10.208
142 H LYS 18 HN LYS 18 -1.918 -2.954 -6.670
143 HA LYS 18 HA LYS 18 -3.474 -1.254 -8.482
144 HB2 LYS 18 HB2 LYS 18 -4.616 -3.336 -6.994
145 HB3 LYS 18 HB1 LYS 18 -5.030 -1.855 -6.123
146 HG2 LYS 18 HG2 LYS 18 -6.776 -2.318 -7.684
147 HG3 LYS 18 HG1 LYS 18 -5.884 -0.901 -8.253
148 HD2 LYS 18 HD2 LYS 18 -6.452 -2.554 -10.044
149 HD3 LYS 18 HD1 LYS 18 -4.730 -2.205 -9.895
150 HE2 LYS 18 HE2 LYS 18 -4.278 -4.272 -8.895
151 HE3 LYS 18 HE1 LYS 18 -5.972 -4.544 -8.486
152 HZ1 LYS 18 HZ1 LYS 18 -6.492 -5.080 -10.674
153 HZ2 LYS 18 HZ2 LYS 18 -4.995 -5.831 -10.438
154 HZ3 LYS 18 HZ3 LYS 18 -5.084 -4.378 -11.299
155 H THR 19 HN THR 19 -4.949 0.067 -6.506
156 HA THR 19 HA THR 19 -2.899 1.805 -5.404
157 HB THR 19 HB THR 19 -4.593 3.411 -5.173
158 HG1 THR 19 HG1 THR 19 -6.380 1.215 -5.214
159 HG21 THR 19 HG21 THR 19 -5.741 3.431 -7.269
160 HG22 THR 19 HG22 THR 19 -5.465 1.696 -7.456
161 HG23 THR 19 HG23 THR 19 -4.101 2.812 -7.489
162 H TRP 20 HN TRP 20 -2.187 1.594 -3.448
163 HA TRP 20 HA TRP 20 -3.995 0.742 -1.343
164 HB2 TRP 20 HB2 TRP 20 -3.108 -1.241 -2.486
165 HB3 TRP 20 HB1 TRP 20 -1.483 -0.722 -2.091
166 HD1 TRP 20 HD1 TRP 20 -4.490 -2.472 -0.579
167 HE1 TRP 20 HE1 TRP 20 -3.844 -3.374 1.745
168 HE3 TRP 20 HE3 TRP 20 0.035 -0.215 -0.086
169 HZ2 TRP 20 HZ2 TRP 20 -1.694 -3.146 3.557
170 HZ3 TRP 20 HZ3 TRP 20 1.340 -0.602 1.971
171 HH2 TRP 20 HH2 TRP 20 0.489 -2.045 3.752
172 H THR 21 HN THR 21 -3.695 2.189 0.204
173 HA THR 21 HA THR 21 -0.974 3.192 0.724
174 HB THR 21 HB THR 21 -2.711 4.895 0.084
175 HG1 THR 21 HG1 THR 21 -2.038 6.317 1.610
176 HG21 THR 21 HG21 THR 21 -4.637 3.829 1.222
177 HG22 THR 21 HG22 THR 21 -4.426 5.536 1.612
178 HG23 THR 21 HG23 THR 21 -3.929 4.299 2.767
179 H GLY 22 HN GLY 22 -3.969 2.093 2.174
180 HA2 GLY 22 HA2 GLY 22 -2.607 0.662 4.252
181 HA3 GLY 22 HA1 GLY 22 -3.458 2.090 4.853
182 H GLN 23 HN GLN 23 -4.027 -0.685 2.672
183 HA GLN 23 HA GLN 23 -6.861 -0.586 3.102
184 HB2 GLN 23 HB2 GLN 23 -5.494 -1.427 1.017
185 HB3 GLN 23 HB1 GLN 23 -5.500 -2.963 1.869
186 HG2 GLN 23 HG2 GLN 23 -8.111 -1.636 1.685
187 HG3 GLN 23 HG1 GLN 23 -7.415 -2.148 0.149
188 HE21 GLN 23 HE21 GLN 23 -7.675 -4.189 -0.436
189 HE22 GLN 23 HE22 GLN 23 -8.202 -5.474 0.591
190 H GLY 24 HN GLY 24 -4.800 -3.457 3.465
191 HA2 GLY 24 HA2 GLY 24 -5.491 -3.831 6.222
192 HA3 GLY 24 HA1 GLY 24 -6.409 -4.892 5.151
193 H ARG 25 HN ARG 25 -4.861 -5.854 3.359
194 HA ARG 25 HA ARG 25 -3.045 -7.547 4.745
195 HB2 ARG 25 HB2 ARG 25 -2.749 -8.660 2.706
196 HB3 ARG 25 HB1 ARG 25 -4.392 -8.050 2.605
197 HG2 ARG 25 HG2 ARG 25 -3.072 -6.006 1.462
198 HG3 ARG 25 HG1 ARG 25 -2.001 -7.339 1.031
199 HD2 ARG 25 HD2 ARG 25 -4.774 -6.753 0.165
200 HD3 ARG 25 HD1 ARG 25 -3.429 -7.441 -0.739
201 HE ARG 25 HE ARG 25 -4.068 -9.416 0.994
202 HH11 ARG 25 HH11 ARG 25 -5.953 -7.517 -1.247
203 HH12 ARG 25 HH12 ARG 25 -7.109 -8.774 -1.533
204 HH21 ARG 25 HH21 ARG 25 -5.586 -11.070 0.618
205 HH22 ARG 25 HH22 ARG 25 -6.901 -10.791 -0.474
206 H THR 26 HN THR 26 -0.951 -7.190 5.205
207 HA THR 26 HA THR 26 0.302 -4.847 3.975
208 HB THR 26 HB THR 26 1.806 -6.071 6.135
209 HG1 THR 26 HG1 THR 26 0.334 -6.178 7.628
210 HG21 THR 26 HG21 THR 26 2.018 -3.911 6.931
211 HG22 THR 26 HG22 THR 26 0.486 -3.393 6.224
212 HG23 THR 26 HG23 THR 26 1.884 -3.681 5.187
213 HA PRO 27 HA PRO 27 2.183 -8.223 1.444
214 HB2 PRO 27 HB2 PRO 27 3.473 -6.126 0.008
215 HB3 PRO 27 HB1 PRO 27 2.103 -7.103 -0.521
216 HG2 PRO 27 HG2 PRO 27 2.148 -4.392 0.672
217 HG3 PRO 27 HG1 PRO 27 0.977 -5.116 -0.442
218 HD2 PRO 27 HD2 PRO 27 0.391 -4.717 2.139
219 HD3 PRO 27 HD1 PRO 27 -0.199 -6.149 1.268
220 H LYS 28 HN LYS 28 4.179 -9.082 1.672
221 HA LYS 28 HA LYS 28 5.789 -8.545 3.775
222 HB2 LYS 28 HB2 LYS 28 6.924 -9.556 1.178
223 HB3 LYS 28 HB1 LYS 28 7.442 -9.945 2.811
224 HG2 LYS 28 HG2 LYS 28 5.023 -10.893 1.327
225 HG3 LYS 28 HG1 LYS 28 6.278 -11.836 2.132
226 HD2 LYS 28 HD2 LYS 28 4.178 -10.135 3.489
227 HD3 LYS 28 HD1 LYS 28 4.195 -11.898 3.402
228 HE2 LYS 28 HE2 LYS 28 6.647 -11.425 4.441
229 HE3 LYS 28 HE1 LYS 28 5.744 -10.067 5.110
230 HZ1 LYS 28 HZ1 LYS 28 4.583 -12.757 5.278
231 HZ2 LYS 28 HZ2 LYS 28 4.399 -11.440 6.323
232 HZ3 LYS 28 HZ3 LYS 28 5.829 -12.343 6.346
233 HA PRO 29 HA PRO 29 8.848 -5.845 1.094
234 HB2 PRO 29 HB2 PRO 29 7.586 -4.528 -0.986
235 HB3 PRO 29 HB1 PRO 29 8.587 -5.982 -1.161
236 HG2 PRO 29 HG2 PRO 29 5.611 -5.728 -1.028
237 HG3 PRO 29 HG1 PRO 29 6.604 -6.790 -2.041
238 HD2 PRO 29 HD2 PRO 29 5.344 -7.703 0.144
239 HD3 PRO 29 HD1 PRO 29 6.944 -8.315 -0.332
240 H ILE 30 HN ILE 30 5.624 -4.448 0.465
241 HA ILE 30 HA ILE 30 6.242 -1.902 1.440
242 HB ILE 30 HB ILE 30 3.502 -3.160 1.421
243 HG12 ILE 30 HG12 ILE 30 5.153 -2.961 -0.759
244 HG13 ILE 30 HG11 ILE 30 3.396 -2.981 -0.829
245 HG21 ILE 30 HG21 ILE 30 3.270 -1.175 2.568
246 HG22 ILE 30 HG22 ILE 30 2.944 -0.674 0.909
247 HG23 ILE 30 HG23 ILE 30 4.522 -0.362 1.630
248 HD11 ILE 30 HD11 ILE 30 5.149 -0.534 -0.802
249 HD12 ILE 30 HD12 ILE 30 3.385 -0.530 -0.832
250 HD13 ILE 30 HD13 ILE 30 4.290 -1.199 -2.192
251 H ALA 31 HN ALA 31 5.130 -4.783 3.082
252 HA ALA 31 HA ALA 31 4.176 -3.708 5.457
253 HB1 ALA 31 HB1 ALA 31 5.460 -6.311 4.752
254 HB2 ALA 31 HB2 ALA 31 3.804 -5.974 5.255
255 HB3 ALA 31 HB3 ALA 31 5.110 -5.934 6.439
256 H GLN 32 HN GLN 32 7.494 -4.396 4.463
257 HA GLN 32 HA GLN 32 8.685 -3.815 6.973
258 HB2 GLN 32 HB2 GLN 32 9.887 -5.122 5.330
259 HB3 GLN 32 HB1 GLN 32 9.810 -3.808 4.166
260 HG2 GLN 32 HG2 GLN 32 11.059 -2.632 6.299
261 HG3 GLN 32 HG1 GLN 32 11.683 -4.279 6.347
262 HE21 GLN 32 HE21 GLN 32 10.770 -2.154 3.662
263 HE22 GLN 32 HE22 GLN 32 12.300 -2.221 2.861
264 H ALA 33 HN ALA 33 8.195 -1.916 4.012
265 HA ALA 33 HA ALA 33 9.399 0.458 4.954
266 HB1 ALA 33 HB1 ALA 33 7.154 0.425 2.964
267 HB2 ALA 33 HB2 ALA 33 8.754 -0.192 2.553
268 HB3 ALA 33 HB3 ALA 33 8.556 1.492 3.037
269 H LEU 34 HN LEU 34 6.080 -0.737 5.033
270 HA LEU 34 HA LEU 34 4.992 1.614 6.238
271 HB2 LEU 34 HB2 LEU 34 4.037 -1.049 5.434
272 HB3 LEU 34 HB1 LEU 34 3.205 -0.365 6.818
273 HG LEU 34 HG LEU 34 3.456 0.896 4.090
274 HD11 LEU 34 HD11 LEU 34 1.852 -0.744 3.861
275 HD12 LEU 34 HD12 LEU 34 0.888 0.658 4.324
276 HD13 LEU 34 HD13 LEU 34 1.287 -0.575 5.522
277 HD21 LEU 34 HD21 LEU 34 3.106 2.129 6.593
278 HD22 LEU 34 HD22 LEU 34 1.524 2.123 5.810
279 HD23 LEU 34 HD23 LEU 34 2.910 2.845 4.993
280 H ALA 35 HN ALA 35 6.276 -1.424 7.375
281 HA ALA 35 HA ALA 35 5.387 -1.350 10.029
282 HB1 ALA 35 HB1 ALA 35 6.280 -3.389 9.372
283 HB2 ALA 35 HB2 ALA 35 7.533 -2.737 10.428
284 HB3 ALA 35 HB3 ALA 35 7.721 -2.649 8.677
285 H GLU 36 HN GLU 36 7.859 0.440 8.394
286 HA GLU 36 HA GLU 36 9.330 1.198 10.722
287 HB2 GLU 36 HB2 GLU 36 9.207 2.243 7.903
288 HB3 GLU 36 HB1 GLU 36 10.170 3.044 9.137
289 HG2 GLU 36 HG2 GLU 36 10.475 0.186 8.238
290 HG3 GLU 36 HG1 GLU 36 11.519 1.539 7.784
291 H GLY 37 HN GLY 37 6.300 2.108 9.495
292 HA2 GLY 37 HA2 GLY 37 4.867 3.461 10.879
293 HA3 GLY 37 HA1 GLY 37 6.275 4.424 11.316
294 H LYS 38 HN LYS 38 6.742 4.014 8.152
295 HA LYS 38 HA LYS 38 5.533 6.591 7.532
296 HB2 LYS 38 HB2 LYS 38 7.704 4.920 6.343
297 HB3 LYS 38 HB1 LYS 38 6.872 6.084 5.304
298 HG2 LYS 38 HG2 LYS 38 7.397 7.797 7.135
299 HG3 LYS 38 HG1 LYS 38 8.535 6.595 7.746
300 HD2 LYS 38 HD2 LYS 38 9.423 6.535 5.323
301 HD3 LYS 38 HD1 LYS 38 8.560 8.062 5.130
302 HE2 LYS 38 HE2 LYS 38 10.504 8.950 5.844
303 HE3 LYS 38 HE1 LYS 38 9.870 8.539 7.437
304 HZ1 LYS 38 HZ1 LYS 38 12.243 7.803 6.771
305 HZ2 LYS 38 HZ2 LYS 38 11.451 6.557 5.945
306 HZ3 LYS 38 HZ3 LYS 38 11.248 6.726 7.616
307 H SER 39 HN SER 39 4.299 6.966 5.635
308 HA SER 39 HA SER 39 2.543 4.734 4.954
309 HB2 SER 39 HB2 SER 39 2.400 7.711 4.751
310 HB3 SER 39 HB1 SER 39 1.459 6.757 3.591
311 HG SER 39 HG SER 39 0.551 5.664 5.431
312 H LEU 40 HN LEU 40 1.780 4.816 2.542
313 HA LEU 40 HA LEU 40 4.006 4.085 0.964
314 HB2 LEU 40 HB2 LEU 40 1.083 4.338 0.513
315 HB3 LEU 40 HB1 LEU 40 2.126 4.249 -0.895
316 HG LEU 40 HG LEU 40 3.079 2.178 0.596
317 HD11 LEU 40 HD11 LEU 40 1.594 1.296 1.993
318 HD12 LEU 40 HD12 LEU 40 0.267 1.513 0.854
319 HD13 LEU 40 HD13 LEU 40 0.752 2.841 1.905
320 HD21 LEU 40 HD21 LEU 40 2.732 1.753 -1.632
321 HD22 LEU 40 HD22 LEU 40 1.093 2.401 -1.614
322 HD23 LEU 40 HD23 LEU 40 1.423 0.820 -0.908
323 H ASP 41 HN ASP 41 3.053 7.148 1.762
324 HA ASP 41 HA ASP 41 3.057 8.601 -0.590
325 HB2 ASP 41 HB2 ASP 41 4.102 9.288 2.157
326 HB3 ASP 41 HB1 ASP 41 4.064 10.457 0.840
327 H ASP 42 HN ASP 42 5.657 6.939 0.969
328 HA ASP 42 HA ASP 42 7.723 8.338 -0.507
329 HB2 ASP 42 HB2 ASP 42 7.754 7.085 1.896
330 HB3 ASP 42 HB1 ASP 42 8.376 5.795 0.863
331 H PHE 43 HN PHE 43 5.913 5.351 -0.681
332 HA PHE 43 HA PHE 43 7.424 4.597 -3.094
333 HB2 PHE 43 HB2 PHE 43 5.757 2.436 -2.306
334 HB3 PHE 43 HB1 PHE 43 7.519 2.525 -2.254
335 HD1 PHE 43 HD1 PHE 43 8.362 4.013 -0.130
336 HD2 PHE 43 HD2 PHE 43 4.744 1.789 -0.380
337 HE1 PHE 43 HE1 PHE 43 8.286 3.868 2.325
338 HE2 PHE 43 HE2 PHE 43 4.659 1.642 2.074
339 HZ PHE 43 HZ PHE 43 6.431 2.684 3.430
340 H LEU 44 HN LEU 44 5.302 6.575 -2.986
341 HA LEU 44 HA LEU 44 2.943 5.357 -4.095
342 HB2 LEU 44 HB2 LEU 44 1.994 7.477 -4.077
343 HB3 LEU 44 HB1 LEU 44 3.085 7.511 -2.707
344 HG LEU 44 HG LEU 44 4.730 8.540 -4.545
345 HD11 LEU 44 HD11 LEU 44 2.024 8.756 -5.680
346 HD12 LEU 44 HD12 LEU 44 3.599 8.789 -6.474
347 HD13 LEU 44 HD13 LEU 44 2.976 10.240 -5.689
348 HD21 LEU 44 HD21 LEU 44 4.505 10.481 -3.395
349 HD22 LEU 44 HD22 LEU 44 3.564 9.447 -2.321
350 HD23 LEU 44 HD23 LEU 44 2.745 10.470 -3.501
351 H ILE 45 HN ILE 45 2.604 4.852 -6.152
352 HA ILE 45 HA ILE 45 2.912 4.614 -8.396
353 HB ILE 45 HB ILE 45 3.805 7.495 -8.323
354 HG12 ILE 45 HG12 ILE 45 1.669 7.210 -7.131
355 HG13 ILE 45 HG11 ILE 45 1.449 8.082 -8.645
356 HG21 ILE 45 HG21 ILE 45 2.971 5.604 -10.454
357 HG22 ILE 45 HG22 ILE 45 4.189 6.880 -10.483
358 HG23 ILE 45 HG23 ILE 45 2.478 7.290 -10.606
359 HD11 ILE 45 HD11 ILE 45 0.696 5.967 -9.689
360 HD12 ILE 45 HD12 ILE 45 -0.340 6.520 -8.372
361 HD13 ILE 45 HD13 ILE 45 0.795 5.197 -8.105
Start of MODEL 8
1 H1 ARG 1 HT1 ARG 1 -8.233 2.853 11.329
2 H2 ARG 1 HT2 ARG 1 -8.845 1.813 10.109
3 H3 ARG 1 HT3 ARG 1 -9.038 3.513 9.968
4 HA ARG 1 HA ARG 1 -6.553 3.634 10.018
5 HB2 ARG 1 HB2 ARG 1 -7.103 0.721 9.934
6 HB3 ARG 1 HB1 ARG 1 -5.823 1.299 8.876
7 HG2 ARG 1 HG2 ARG 1 -5.832 2.127 11.738
8 HG3 ARG 1 HG1 ARG 1 -5.285 0.507 11.300
9 HD2 ARG 1 HD2 ARG 1 -3.519 1.331 10.005
10 HD3 ARG 1 HD1 ARG 1 -4.220 2.945 9.915
11 HE ARG 1 HE ARG 1 -2.571 1.883 12.016
12 HH11 ARG 1 HH11 ARG 1 -4.990 4.265 11.205
13 HH12 ARG 1 HH12 ARG 1 -4.549 5.334 12.495
14 HH21 ARG 1 HH21 ARG 1 -1.991 3.287 13.713
15 HH22 ARG 1 HH22 ARG 1 -2.847 4.779 13.918
16 H GLN 2 HN GLN 2 -9.100 2.143 8.147
17 HA GLN 2 HA GLN 2 -8.081 2.295 5.579
18 HB2 GLN 2 HB2 GLN 2 -10.440 1.530 6.608
19 HB3 GLN 2 HB1 GLN 2 -10.917 3.084 5.938
20 HG2 GLN 2 HG2 GLN 2 -10.695 2.390 3.802
21 HG3 GLN 2 HG1 GLN 2 -9.341 1.322 4.173
22 HE21 GLN 2 HE21 GLN 2 -10.273 -0.368 5.996
23 HE22 GLN 2 HE22 GLN 2 -11.616 -1.271 5.393
24 HA PRO 3 HA PRO 3 -7.958 6.826 5.346
25 HB2 PRO 3 HB2 PRO 3 -5.689 6.831 3.757
26 HB3 PRO 3 HB1 PRO 3 -5.677 6.863 5.525
27 HG2 PRO 3 HG2 PRO 3 -4.773 4.767 3.803
28 HG3 PRO 3 HG1 PRO 3 -4.806 4.781 5.573
29 HD2 PRO 3 HD2 PRO 3 -6.713 3.565 3.646
30 HD3 PRO 3 HD1 PRO 3 -6.354 3.114 5.334
31 H ARG 4 HN ARG 4 -8.221 8.289 3.449
32 HA ARG 4 HA ARG 4 -9.919 7.343 1.490
33 HB2 ARG 4 HB2 ARG 4 -9.548 9.738 1.859
34 HB3 ARG 4 HB1 ARG 4 -7.908 9.596 1.241
35 HG2 ARG 4 HG2 ARG 4 -8.831 10.297 -0.675
36 HG3 ARG 4 HG1 ARG 4 -9.311 8.608 -0.846
37 HD2 ARG 4 HD2 ARG 4 -11.368 9.489 -1.104
38 HD3 ARG 4 HD1 ARG 4 -11.346 9.538 0.659
39 HE ARG 4 HE ARG 4 -10.223 11.909 -0.351
40 HH11 ARG 4 HH11 ARG 4 -13.304 10.292 -0.089
41 HH12 ARG 4 HH12 ARG 4 -14.216 11.764 -0.078
42 HH21 ARG 4 HH21 ARG 4 -11.421 13.846 -0.336
43 HH22 ARG 4 HH22 ARG 4 -13.148 13.782 -0.218
44 HA PRO 5 HA PRO 5 -6.724 4.973 -0.649
45 HB2 PRO 5 HB2 PRO 5 -8.170 2.857 -1.267
46 HB3 PRO 5 HB1 PRO 5 -7.788 3.196 0.421
47 HG2 PRO 5 HG2 PRO 5 -10.327 3.732 -1.077
48 HG3 PRO 5 HG1 PRO 5 -10.108 3.057 0.548
49 HD2 PRO 5 HD2 PRO 5 -10.645 5.729 -0.027
50 HD3 PRO 5 HD1 PRO 5 -9.962 5.125 1.497
51 H ALA 6 HN ALA 6 -6.474 6.506 -2.327
52 HA ALA 6 HA ALA 6 -8.389 6.534 -4.501
53 HB1 ALA 6 HB1 ALA 6 -7.169 8.361 -5.376
54 HB2 ALA 6 HB2 ALA 6 -5.741 7.958 -4.422
55 HB3 ALA 6 HB3 ALA 6 -7.185 8.583 -3.626
56 H LYS 7 HN LYS 7 -6.202 7.027 -6.511
57 HA LYS 7 HA LYS 7 -5.676 4.203 -7.077
58 HB2 LYS 7 HB2 LYS 7 -6.786 5.428 -8.856
59 HB3 LYS 7 HB1 LYS 7 -5.516 6.649 -8.846
60 HG2 LYS 7 HG2 LYS 7 -4.880 3.770 -9.422
61 HG3 LYS 7 HG1 LYS 7 -5.506 4.837 -10.685
62 HD2 LYS 7 HD2 LYS 7 -2.934 5.113 -9.130
63 HD3 LYS 7 HD1 LYS 7 -3.133 4.865 -10.861
64 HE2 LYS 7 HE2 LYS 7 -4.542 7.178 -10.427
65 HE3 LYS 7 HE1 LYS 7 -3.198 7.330 -9.293
66 HZ1 LYS 7 HZ1 LYS 7 -3.184 7.327 -12.205
67 HZ2 LYS 7 HZ2 LYS 7 -1.895 6.532 -11.452
68 HZ3 LYS 7 HZ3 LYS 7 -2.193 8.162 -11.117
69 H TYR 8 HN TYR 8 -3.717 3.368 -6.958
70 HA TYR 8 HA TYR 8 -1.346 4.984 -7.238
71 HB2 TYR 8 HB2 TYR 8 -2.089 3.643 -4.641
72 HB3 TYR 8 HB1 TYR 8 -0.417 4.036 -5.052
73 HD1 TYR 8 HD2 TYR 8 -0.821 6.654 -6.409
74 HD2 TYR 8 HD1 TYR 8 -2.536 5.088 -2.846
75 HE1 TYR 8 HE2 TYR 8 -1.157 8.937 -5.580
76 HE2 TYR 8 HE1 TYR 8 -2.875 7.373 -2.001
77 HH TYR 8 HH TYR 8 -2.023 9.604 -2.330
78 H LYS 9 HN LYS 9 0.652 3.559 -7.077
79 HA LYS 9 HA LYS 9 -0.028 0.876 -8.081
80 HB2 LYS 9 HB2 LYS 9 0.806 2.113 -9.922
81 HB3 LYS 9 HB1 LYS 9 2.127 2.783 -8.973
82 HG2 LYS 9 HG2 LYS 9 3.450 1.118 -9.581
83 HG3 LYS 9 HG1 LYS 9 2.311 -0.062 -8.930
84 HD2 LYS 9 HD2 LYS 9 2.056 1.195 -11.658
85 HD3 LYS 9 HD1 LYS 9 2.847 -0.354 -11.359
86 HE2 LYS 9 HE2 LYS 9 0.802 -1.296 -10.519
87 HE3 LYS 9 HE1 LYS 9 -0.004 0.270 -10.603
88 HZ1 LYS 9 HZ1 LYS 9 -0.193 -1.568 -12.503
89 HZ2 LYS 9 HZ2 LYS 9 1.147 -0.716 -13.084
90 HZ3 LYS 9 HZ3 LYS 9 -0.314 0.091 -12.813
91 H PHE 10 HN PHE 10 0.700 -0.738 -6.962
92 HA PHE 10 HA PHE 10 3.221 -0.724 -5.569
93 HB2 PHE 10 HB2 PHE 10 2.504 -0.581 -3.400
94 HB3 PHE 10 HB1 PHE 10 1.181 0.327 -4.123
95 HD1 PHE 10 HD1 PHE 10 -0.433 -1.786 -5.335
96 HD2 PHE 10 HD2 PHE 10 1.578 -1.695 -1.594
97 HE1 PHE 10 HE1 PHE 10 -2.027 -3.433 -4.451
98 HE2 PHE 10 HE2 PHE 10 -0.010 -3.348 -0.697
99 HZ PHE 10 HZ PHE 10 -1.815 -4.220 -2.131
100 H THR 11 HN THR 11 3.363 -2.928 -4.289
101 HA THR 11 HA THR 11 2.097 -4.958 -6.012
102 HB THR 11 HB THR 11 4.510 -5.380 -4.244
103 HG1 THR 11 HG1 THR 11 5.582 -4.234 -5.612
104 HG21 THR 11 HG21 THR 11 3.042 -7.238 -5.528
105 HG22 THR 11 HG22 THR 11 4.768 -7.387 -5.199
106 HG23 THR 11 HG23 THR 11 4.217 -6.826 -6.777
107 H ASP 12 HN ASP 12 0.362 -5.818 -5.110
108 HA ASP 12 HA ASP 12 -0.377 -5.741 -2.411
109 HB2 ASP 12 HB2 ASP 12 -1.752 -6.300 -4.558
110 HB3 ASP 12 HB1 ASP 12 -1.259 -7.959 -4.237
111 H VAL 13 HN VAL 13 -0.709 -7.683 -0.995
112 HA VAL 13 HA VAL 13 1.748 -8.959 -0.487
113 HB VAL 13 HB VAL 13 0.088 -8.540 1.290
114 HG11 VAL 13 HG11 VAL 13 -1.477 -10.612 -0.236
115 HG12 VAL 13 HG12 VAL 13 -1.975 -8.985 0.225
116 HG13 VAL 13 HG13 VAL 13 -1.797 -10.235 1.457
117 HG21 VAL 13 HG21 VAL 13 0.869 -10.249 2.527
118 HG22 VAL 13 HG22 VAL 13 1.800 -10.636 1.081
119 HG23 VAL 13 HG23 VAL 13 0.281 -11.472 1.400
120 H ASN 14 HN ASN 14 -0.709 -9.676 -2.681
121 HA ASN 14 HA ASN 14 0.017 -12.500 -2.843
122 HB2 ASN 14 HB2 ASN 14 -2.390 -11.280 -2.912
123 HB3 ASN 14 HB1 ASN 14 -2.046 -11.403 -4.640
124 HD21 ASN 14 HD21 ASN 14 -1.904 -13.361 -1.684
125 HD22 ASN 14 HD22 ASN 14 -2.473 -14.826 -2.422
126 H GLY 15 HN GLY 15 0.981 -9.610 -4.200
127 HA2 GLY 15 HA2 GLY 15 2.797 -9.686 -5.800
128 HA3 GLY 15 HA1 GLY 15 1.983 -11.038 -6.581
129 H GLU 16 HN GLU 16 -0.647 -9.549 -6.335
130 HA GLU 16 HA GLU 16 -0.578 -8.338 -8.897
131 HB2 GLU 16 HB2 GLU 16 -2.902 -7.657 -8.410
132 HB3 GLU 16 HB1 GLU 16 -2.617 -9.356 -8.058
133 HG2 GLU 16 HG2 GLU 16 -2.365 -8.782 -5.671
134 HG3 GLU 16 HG1 GLU 16 -2.766 -7.110 -6.062
135 H THR 17 HN THR 17 -0.260 -6.262 -9.516
136 HA THR 17 HA THR 17 0.315 -4.340 -7.381
137 HB THR 17 HB THR 17 2.142 -4.839 -8.982
138 HG1 THR 17 HG1 THR 17 2.693 -2.888 -8.520
139 HG21 THR 17 HG21 THR 17 1.997 -4.679 -11.195
140 HG22 THR 17 HG22 THR 17 1.060 -3.186 -11.119
141 HG23 THR 17 HG23 THR 17 0.251 -4.745 -10.948
142 H LYS 18 HN LYS 18 -1.464 -3.197 -6.893
143 HA LYS 18 HA LYS 18 -2.716 -1.684 -9.060
144 HB2 LYS 18 HB2 LYS 18 -3.945 -3.892 -7.746
145 HB3 LYS 18 HB1 LYS 18 -4.789 -2.423 -7.247
146 HG2 LYS 18 HG2 LYS 18 -5.890 -2.412 -9.162
147 HG3 LYS 18 HG1 LYS 18 -4.367 -2.243 -10.037
148 HD2 LYS 18 HD2 LYS 18 -5.660 -4.839 -9.191
149 HD3 LYS 18 HD1 LYS 18 -5.608 -4.189 -10.830
150 HE2 LYS 18 HE2 LYS 18 -3.078 -4.684 -9.299
151 HE3 LYS 18 HE1 LYS 18 -3.896 -6.004 -10.131
152 HZ1 LYS 18 HZ1 LYS 18 -2.555 -3.651 -11.257
153 HZ2 LYS 18 HZ2 LYS 18 -3.849 -4.329 -12.110
154 HZ3 LYS 18 HZ3 LYS 18 -2.488 -5.268 -11.752
155 H THR 19 HN THR 19 -4.756 -0.525 -7.565
156 HA THR 19 HA THR 19 -3.297 1.476 -6.114
157 HB THR 19 HB THR 19 -5.279 2.699 -6.112
158 HG1 THR 19 HG1 THR 19 -7.324 1.678 -6.389
159 HG21 THR 19 HG21 THR 19 -6.014 2.657 -8.298
160 HG22 THR 19 HG22 THR 19 -5.821 0.906 -8.415
161 HG23 THR 19 HG23 THR 19 -4.397 1.946 -8.373
162 H TRP 20 HN TRP 20 -2.779 1.390 -4.094
163 HA TRP 20 HA TRP 20 -4.588 0.156 -2.194
164 HB2 TRP 20 HB2 TRP 20 -3.281 -1.638 -3.132
165 HB3 TRP 20 HB1 TRP 20 -1.796 -0.789 -2.765
166 HD1 TRP 20 HD1 TRP 20 -4.301 -3.147 -1.238
167 HE1 TRP 20 HE1 TRP 20 -3.558 -3.740 1.159
168 HE3 TRP 20 HE3 TRP 20 -0.599 0.286 -0.690
169 HZ2 TRP 20 HZ2 TRP 20 -1.644 -2.848 3.038
170 HZ3 TRP 20 HZ3 TRP 20 0.651 0.368 1.436
171 HH2 TRP 20 HH2 TRP 20 0.139 -1.172 3.251
172 H THR 21 HN THR 21 -4.385 0.918 -0.146
173 HA THR 21 HA THR 21 -2.139 2.716 0.451
174 HB THR 21 HB THR 21 -4.151 4.046 -0.174
175 HG1 THR 21 HG1 THR 21 -3.258 4.148 2.509
176 HG21 THR 21 HG21 THR 21 -6.074 4.141 1.258
177 HG22 THR 21 HG22 THR 21 -5.405 2.889 2.305
178 HG23 THR 21 HG23 THR 21 -5.879 2.496 0.652
179 H GLY 22 HN GLY 22 -4.872 0.887 1.719
180 HA2 GLY 22 HA2 GLY 22 -3.268 -0.344 3.752
181 HA3 GLY 22 HA1 GLY 22 -4.423 0.822 4.403
182 H GLN 23 HN GLN 23 -4.510 -1.660 1.839
183 HA GLN 23 HA GLN 23 -7.219 -2.357 2.512
184 HB2 GLN 23 HB2 GLN 23 -5.342 -3.657 0.520
185 HB3 GLN 23 HB1 GLN 23 -7.078 -3.908 0.631
186 HG2 GLN 23 HG2 GLN 23 -7.322 -1.419 0.206
187 HG3 GLN 23 HG1 GLN 23 -5.616 -1.438 -0.235
188 HE21 GLN 23 HE21 GLN 23 -5.199 -1.728 -2.300
189 HE22 GLN 23 HE22 GLN 23 -6.232 -2.493 -3.453
190 H GLY 24 HN GLY 24 -6.012 -2.869 4.776
191 HA2 GLY 24 HA2 GLY 24 -5.710 -4.502 6.359
192 HA3 GLY 24 HA1 GLY 24 -6.473 -5.603 5.215
193 H ARG 25 HN ARG 25 -5.086 -6.538 3.525
194 HA ARG 25 HA ARG 25 -2.899 -7.860 4.520
195 HB2 ARG 25 HB2 ARG 25 -2.451 -8.612 2.347
196 HB3 ARG 25 HB1 ARG 25 -4.177 -8.281 2.338
197 HG2 ARG 25 HG2 ARG 25 -3.046 -5.892 1.523
198 HG3 ARG 25 HG1 ARG 25 -2.045 -7.118 0.742
199 HD2 ARG 25 HD2 ARG 25 -5.030 -6.747 0.544
200 HD3 ARG 25 HD1 ARG 25 -3.836 -6.600 -0.742
201 HE ARG 25 HE ARG 25 -3.927 -9.208 0.468
202 HH11 ARG 25 HH11 ARG 25 -5.292 -7.143 -1.992
203 HH12 ARG 25 HH12 ARG 25 -5.835 -8.462 -2.974
204 HH21 ARG 25 HH21 ARG 25 -4.641 -10.944 -0.822
205 HH22 ARG 25 HH22 ARG 25 -5.466 -10.620 -2.309
206 H THR 26 HN THR 26 -0.782 -7.459 4.798
207 HA THR 26 HA THR 26 0.198 -4.850 3.864
208 HB THR 26 HB THR 26 1.646 -6.145 6.069
209 HG1 THR 26 HG1 THR 26 -0.501 -6.585 6.682
210 HG21 THR 26 HG21 THR 26 1.699 -3.683 5.010
211 HG22 THR 26 HG22 THR 26 2.155 -4.039 6.679
212 HG23 THR 26 HG23 THR 26 0.541 -3.428 6.316
213 HA PRO 27 HA PRO 27 2.373 -8.038 1.295
214 HB2 PRO 27 HB2 PRO 27 3.474 -5.761 -0.058
215 HB3 PRO 27 HB1 PRO 27 2.280 -6.909 -0.663
216 HG2 PRO 27 HG2 PRO 27 1.899 -4.227 0.503
217 HG3 PRO 27 HG1 PRO 27 0.848 -5.138 -0.588
218 HD2 PRO 27 HD2 PRO 27 0.236 -4.753 2.001
219 HD3 PRO 27 HD1 PRO 27 -0.199 -6.247 1.145
220 H LYS 28 HN LYS 28 4.513 -8.646 1.391
221 HA LYS 28 HA LYS 28 6.006 -8.135 3.582
222 HB2 LYS 28 HB2 LYS 28 6.770 -9.048 0.842
223 HB3 LYS 28 HB1 LYS 28 8.018 -8.803 2.057
224 HG2 LYS 28 HG2 LYS 28 7.064 -11.150 1.803
225 HG3 LYS 28 HG1 LYS 28 7.176 -10.491 3.435
226 HD2 LYS 28 HD2 LYS 28 4.786 -9.858 3.314
227 HD3 LYS 28 HD1 LYS 28 4.696 -10.596 1.712
228 HE2 LYS 28 HE2 LYS 28 5.655 -12.690 2.968
229 HE3 LYS 28 HE1 LYS 28 4.986 -11.884 4.386
230 HZ1 LYS 28 HZ1 LYS 28 3.233 -12.077 2.075
231 HZ2 LYS 28 HZ2 LYS 28 2.882 -12.264 3.719
232 HZ3 LYS 28 HZ3 LYS 28 3.588 -13.535 2.856
233 HA PRO 29 HA PRO 29 8.765 -4.800 1.354
234 HB2 PRO 29 HB2 PRO 29 7.495 -3.516 -0.735
235 HB3 PRO 29 HB1 PRO 29 8.683 -4.819 -0.926
236 HG2 PRO 29 HG2 PRO 29 5.695 -4.945 -0.997
237 HG3 PRO 29 HG1 PRO 29 6.879 -5.789 -2.011
238 HD2 PRO 29 HD2 PRO 29 5.616 -7.026 0.009
239 HD3 PRO 29 HD1 PRO 29 7.309 -7.394 -0.395
240 H ILE 30 HN ILE 30 5.335 -4.048 0.752
241 HA ILE 30 HA ILE 30 5.413 -1.441 1.781
242 HB ILE 30 HB ILE 30 3.028 -3.285 1.732
243 HG12 ILE 30 HG12 ILE 30 4.384 -2.920 -0.457
244 HG13 ILE 30 HG11 ILE 30 2.639 -2.717 -0.496
245 HG21 ILE 30 HG21 ILE 30 1.986 -1.579 2.690
246 HG22 ILE 30 HG22 ILE 30 2.248 -0.667 1.206
247 HG23 ILE 30 HG23 ILE 30 3.402 -0.542 2.531
248 HD11 ILE 30 HD11 ILE 30 4.437 -0.371 -0.056
249 HD12 ILE 30 HD12 ILE 30 2.787 -0.412 -0.681
250 HD13 ILE 30 HD13 ILE 30 4.124 -0.989 -1.678
251 H ALA 31 HN ALA 31 4.982 -4.548 3.322
252 HA ALA 31 HA ALA 31 3.866 -3.803 5.748
253 HB1 ALA 31 HB1 ALA 31 4.835 -5.829 6.665
254 HB2 ALA 31 HB2 ALA 31 5.952 -5.936 5.305
255 HB3 ALA 31 HB3 ALA 31 4.220 -6.133 5.040
256 H GLN 32 HN GLN 32 7.258 -3.816 4.735
257 HA GLN 32 HA GLN 32 8.334 -2.995 7.213
258 HB2 GLN 32 HB2 GLN 32 9.727 -3.956 5.442
259 HB3 GLN 32 HB1 GLN 32 9.390 -2.574 4.408
260 HG2 GLN 32 HG2 GLN 32 10.381 -1.359 6.627
261 HG3 GLN 32 HG1 GLN 32 11.296 -2.866 6.607
262 HE21 GLN 32 HE21 GLN 32 10.082 -0.736 4.044
263 HE22 GLN 32 HE22 GLN 32 11.614 -0.491 3.283
264 H ALA 33 HN ALA 33 7.069 -1.257 4.423
265 HA ALA 33 HA ALA 33 7.821 1.341 5.307
266 HB1 ALA 33 HB1 ALA 33 7.116 1.927 3.282
267 HB2 ALA 33 HB2 ALA 33 5.479 1.369 3.629
268 HB3 ALA 33 HB3 ALA 33 6.683 0.240 3.007
269 H LEU 34 HN LEU 34 4.763 -0.472 5.455
270 HA LEU 34 HA LEU 34 3.351 1.554 6.862
271 HB2 LEU 34 HB2 LEU 34 2.863 -1.233 6.032
272 HB3 LEU 34 HB1 LEU 34 1.995 -0.726 7.469
273 HG LEU 34 HG LEU 34 1.818 0.451 4.703
274 HD11 LEU 34 HD11 LEU 34 -0.495 -0.187 4.837
275 HD12 LEU 34 HD12 LEU 34 -0.297 -0.704 6.513
276 HD13 LEU 34 HD13 LEU 34 0.505 -1.591 5.218
277 HD21 LEU 34 HD21 LEU 34 1.277 1.669 7.316
278 HD22 LEU 34 HD22 LEU 34 -0.058 1.771 6.166
279 HD23 LEU 34 HD23 LEU 34 1.526 2.419 5.740
280 H ALA 35 HN ALA 35 5.219 -1.241 7.810
281 HA ALA 35 HA ALA 35 4.508 -1.370 10.516
282 HB1 ALA 35 HB1 ALA 35 5.730 -3.163 9.440
283 HB2 ALA 35 HB2 ALA 35 6.643 -2.566 10.827
284 HB3 ALA 35 HB3 ALA 35 7.118 -2.104 9.193
285 H GLU 36 HN GLU 36 6.673 0.742 8.783
286 HA GLU 36 HA GLU 36 8.011 1.756 11.103
287 HB2 GLU 36 HB2 GLU 36 7.794 2.824 8.283
288 HB3 GLU 36 HB1 GLU 36 8.810 3.533 9.532
289 HG2 GLU 36 HG2 GLU 36 10.333 1.843 9.456
290 HG3 GLU 36 HG1 GLU 36 9.140 0.643 8.944
291 H GLY 37 HN GLY 37 4.961 2.308 9.656
292 HA2 GLY 37 HA2 GLY 37 3.325 3.520 10.978
293 HA3 GLY 37 HA1 GLY 37 4.596 4.668 11.390
294 H LYS 38 HN LYS 38 5.304 4.249 8.324
295 HA LYS 38 HA LYS 38 3.718 6.546 7.490
296 HB2 LYS 38 HB2 LYS 38 5.936 5.174 5.966
297 HB3 LYS 38 HB1 LYS 38 5.283 6.794 5.691
298 HG2 LYS 38 HG2 LYS 38 6.077 7.171 8.170
299 HG3 LYS 38 HG1 LYS 38 7.154 5.825 7.791
300 HD2 LYS 38 HD2 LYS 38 6.921 8.161 5.931
301 HD3 LYS 38 HD1 LYS 38 7.960 8.248 7.355
302 HE2 LYS 38 HE2 LYS 38 8.712 5.861 6.341
303 HE3 LYS 38 HE1 LYS 38 8.280 6.714 4.859
304 HZ1 LYS 38 HZ1 LYS 38 10.672 6.887 5.787
305 HZ2 LYS 38 HZ2 LYS 38 10.008 8.028 6.844
306 HZ3 LYS 38 HZ3 LYS 38 9.921 8.273 5.173
307 H SER 39 HN SER 39 2.604 6.622 5.478
308 HA SER 39 HA SER 39 1.328 4.087 4.801
309 HB2 SER 39 HB2 SER 39 0.173 6.428 5.201
310 HB3 SER 39 HB1 SER 39 0.597 6.687 3.500
311 HG SER 39 HG SER 39 -0.888 4.486 4.515
312 H LEU 40 HN LEU 40 0.745 3.939 2.331
313 HA LEU 40 HA LEU 40 3.179 3.539 0.958
314 HB2 LEU 40 HB2 LEU 40 1.100 2.232 0.576
315 HB3 LEU 40 HB1 LEU 40 0.410 3.632 -0.227
316 HG LEU 40 HG LEU 40 2.096 3.521 -1.967
317 HD11 LEU 40 HD11 LEU 40 3.511 1.315 -1.901
318 HD12 LEU 40 HD12 LEU 40 3.277 1.470 -0.160
319 HD13 LEU 40 HD13 LEU 40 4.063 2.766 -1.064
320 HD21 LEU 40 HD21 LEU 40 0.953 1.984 -3.106
321 HD22 LEU 40 HD22 LEU 40 0.034 1.755 -1.623
322 HD23 LEU 40 HD23 LEU 40 1.392 0.695 -1.985
323 H ASP 41 HN ASP 41 1.606 6.414 1.518
324 HA ASP 41 HA ASP 41 1.595 7.775 -0.880
325 HB2 ASP 41 HB2 ASP 41 2.224 8.731 1.913
326 HB3 ASP 41 HB1 ASP 41 2.081 9.828 0.542
327 H ASP 42 HN ASP 42 4.298 6.674 0.971
328 HA ASP 42 HA ASP 42 6.245 8.451 -0.100
329 HB2 ASP 42 HB2 ASP 42 6.282 6.784 1.987
330 HB3 ASP 42 HB1 ASP 42 7.038 5.723 0.795
331 H PHE 43 HN PHE 43 5.002 5.291 -1.043
332 HA PHE 43 HA PHE 43 6.714 5.381 -3.439
333 HB2 PHE 43 HB2 PHE 43 5.266 2.886 -2.659
334 HB3 PHE 43 HB1 PHE 43 6.817 3.077 -3.479
335 HD1 PHE 43 HD2 PHE 43 8.165 4.910 -1.540
336 HD2 PHE 43 HD1 PHE 43 5.802 1.422 -0.934
337 HE1 PHE 43 HE2 PHE 43 9.334 4.492 0.585
338 HE2 PHE 43 HE1 PHE 43 6.967 0.998 1.191
339 HZ PHE 43 HZ PHE 43 8.735 2.533 1.953
340 H LEU 44 HN LEU 44 4.021 6.673 -2.904
341 HA LEU 44 HA LEU 44 2.039 5.324 -4.360
342 HB2 LEU 44 HB2 LEU 44 0.768 7.266 -4.207
343 HB3 LEU 44 HB1 LEU 44 1.798 7.328 -2.794
344 HG LEU 44 HG LEU 44 3.305 8.778 -4.482
345 HD11 LEU 44 HD11 LEU 44 1.112 8.407 -6.042
346 HD12 LEU 44 HD12 LEU 44 2.215 9.777 -6.172
347 HD13 LEU 44 HD13 LEU 44 0.720 9.934 -5.251
348 HD21 LEU 44 HD21 LEU 44 1.943 9.235 -2.196
349 HD22 LEU 44 HD22 LEU 44 1.096 10.320 -3.298
350 HD23 LEU 44 HD23 LEU 44 2.839 10.473 -3.075
351 H ILE 45 HN ILE 45 2.289 4.652 -6.379
352 HA ILE 45 HA ILE 45 2.950 4.555 -8.570
353 HB ILE 45 HB ILE 45 1.976 7.413 -8.550
354 HG12 ILE 45 HG12 ILE 45 0.337 4.959 -9.155
355 HG13 ILE 45 HG11 ILE 45 0.461 5.611 -7.525
356 HG21 ILE 45 HG21 ILE 45 2.927 7.094 -10.641
357 HG22 ILE 45 HG22 ILE 45 1.241 6.657 -10.914
358 HG23 ILE 45 HG23 ILE 45 2.456 5.396 -10.707
359 HD11 ILE 45 HD11 ILE 45 -0.429 7.755 -8.361
360 HD12 ILE 45 HD12 ILE 45 -1.550 6.407 -8.559
361 HD13 ILE 45 HD13 ILE 45 -0.643 7.012 -9.946
Start of MODEL 9
1 H1 ARG 1 HT1 ARG 1 -10.206 0.066 10.154
2 H2 ARG 1 HT2 ARG 1 -11.059 -0.760 8.915
3 H3 ARG 1 HT3 ARG 1 -10.809 0.935 8.806
4 HA ARG 1 HA ARG 1 -8.423 0.532 8.739
5 HB2 ARG 1 HB2 ARG 1 -9.247 -2.337 8.281
6 HB3 ARG 1 HB1 ARG 1 -7.614 -1.702 8.419
7 HG2 ARG 1 HG2 ARG 1 -7.775 -2.479 10.517
8 HG3 ARG 1 HG1 ARG 1 -8.614 -0.953 10.804
9 HD2 ARG 1 HD2 ARG 1 -10.659 -2.488 9.932
10 HD3 ARG 1 HD1 ARG 1 -9.656 -3.708 10.715
11 HE ARG 1 HE ARG 1 -9.936 -1.483 12.418
12 HH11 ARG 1 HH11 ARG 1 -11.787 -4.148 11.135
13 HH12 ARG 1 HH12 ARG 1 -12.855 -4.225 12.496
14 HH21 ARG 1 HH21 ARG 1 -11.339 -1.582 14.209
15 HH22 ARG 1 HH22 ARG 1 -12.601 -2.767 14.241
16 H GLN 2 HN GLN 2 -10.107 1.747 7.121
17 HA GLN 2 HA GLN 2 -9.157 1.192 4.538
18 HB2 GLN 2 HB2 GLN 2 -10.959 -0.663 5.029
19 HB3 GLN 2 HB1 GLN 2 -12.092 0.628 4.652
20 HG2 GLN 2 HG2 GLN 2 -10.931 0.932 2.479
21 HG3 GLN 2 HG1 GLN 2 -9.945 -0.479 2.860
22 HE21 GLN 2 HE21 GLN 2 -11.061 -2.511 3.184
23 HE22 GLN 2 HE22 GLN 2 -12.526 -2.820 2.323
24 HA PRO 3 HA PRO 3 -11.000 5.354 4.869
25 HB2 PRO 3 HB2 PRO 3 -8.615 6.621 4.210
26 HB3 PRO 3 HB1 PRO 3 -9.170 6.301 5.858
27 HG2 PRO 3 HG2 PRO 3 -6.918 5.165 4.534
28 HG3 PRO 3 HG1 PRO 3 -7.538 4.767 6.143
29 HD2 PRO 3 HD2 PRO 3 -7.942 3.366 3.548
30 HD3 PRO 3 HD1 PRO 3 -7.955 2.715 5.210
31 H ARG 4 HN ARG 4 -11.340 6.959 3.107
32 HA ARG 4 HA ARG 4 -11.742 5.866 0.607
33 HB2 ARG 4 HB2 ARG 4 -12.225 8.302 1.662
34 HB3 ARG 4 HB1 ARG 4 -10.856 8.703 0.634
35 HG2 ARG 4 HG2 ARG 4 -12.688 9.112 -0.721
36 HG3 ARG 4 HG1 ARG 4 -12.165 7.503 -1.223
37 HD2 ARG 4 HD2 ARG 4 -14.011 6.494 -0.386
38 HD3 ARG 4 HD1 ARG 4 -14.136 7.611 0.972
39 HE ARG 4 HE ARG 4 -14.767 8.817 -1.554
40 HH11 ARG 4 HH11 ARG 4 -16.037 6.942 1.101
41 HH12 ARG 4 HH12 ARG 4 -17.674 7.434 0.829
42 HH21 ARG 4 HH21 ARG 4 -16.920 9.466 -1.913
43 HH22 ARG 4 HH22 ARG 4 -18.177 8.866 -0.882
44 HA PRO 5 HA PRO 5 -7.346 5.556 -0.381
45 HB2 PRO 5 HB2 PRO 5 -7.393 3.213 -1.591
46 HB3 PRO 5 HB1 PRO 5 -7.734 3.314 0.136
47 HG2 PRO 5 HG2 PRO 5 -9.657 3.059 -2.148
48 HG3 PRO 5 HG1 PRO 5 -9.644 2.202 -0.595
49 HD2 PRO 5 HD2 PRO 5 -11.155 4.471 -1.173
50 HD3 PRO 5 HD1 PRO 5 -10.762 3.887 0.457
51 H ALA 6 HN ALA 6 -6.500 6.745 -1.954
52 HA ALA 6 HA ALA 6 -7.945 7.242 -4.401
53 HB1 ALA 6 HB1 ALA 6 -5.166 8.216 -4.084
54 HB2 ALA 6 HB2 ALA 6 -6.361 8.810 -2.930
55 HB3 ALA 6 HB3 ALA 6 -6.606 9.057 -4.659
56 H LYS 7 HN LYS 7 -5.660 7.567 -6.136
57 HA LYS 7 HA LYS 7 -5.220 4.740 -6.768
58 HB2 LYS 7 HB2 LYS 7 -6.231 6.018 -8.556
59 HB3 LYS 7 HB1 LYS 7 -4.953 7.226 -8.465
60 HG2 LYS 7 HG2 LYS 7 -4.327 4.358 -9.105
61 HG3 LYS 7 HG1 LYS 7 -4.891 5.472 -10.355
62 HD2 LYS 7 HD2 LYS 7 -2.360 5.616 -8.726
63 HD3 LYS 7 HD1 LYS 7 -2.534 5.515 -10.475
64 HE2 LYS 7 HE2 LYS 7 -3.109 7.863 -8.683
65 HE3 LYS 7 HE1 LYS 7 -1.917 7.747 -9.976
66 HZ1 LYS 7 HZ1 LYS 7 -3.660 7.680 -11.595
67 HZ2 LYS 7 HZ2 LYS 7 -3.916 9.021 -10.597
68 HZ3 LYS 7 HZ3 LYS 7 -4.854 7.629 -10.397
69 H TYR 8 HN TYR 8 -3.310 3.835 -6.617
70 HA TYR 8 HA TYR 8 -0.858 5.351 -6.772
71 HB2 TYR 8 HB2 TYR 8 -1.744 3.955 -4.247
72 HB3 TYR 8 HB1 TYR 8 -0.042 4.279 -4.596
73 HD1 TYR 8 HD1 TYR 8 -0.271 6.958 -5.869
74 HD2 TYR 8 HD2 TYR 8 -2.181 5.362 -2.418
75 HE1 TYR 8 HE1 TYR 8 -0.531 9.226 -4.976
76 HE2 TYR 8 HE2 TYR 8 -2.441 7.632 -1.508
77 HH TYR 8 HH TYR 8 -0.793 10.282 -2.675
78 H LYS 9 HN LYS 9 1.059 3.781 -6.521
79 HA LYS 9 HA LYS 9 0.280 1.234 -7.774
80 HB2 LYS 9 HB2 LYS 9 1.366 2.652 -9.385
81 HB3 LYS 9 HB1 LYS 9 2.701 2.962 -8.282
82 HG2 LYS 9 HG2 LYS 9 3.767 1.313 -9.312
83 HG3 LYS 9 HG1 LYS 9 2.661 0.213 -8.489
84 HD2 LYS 9 HD2 LYS 9 2.229 1.440 -11.212
85 HD3 LYS 9 HD1 LYS 9 2.734 -0.222 -10.899
86 HE2 LYS 9 HE2 LYS 9 0.536 -0.671 -11.024
87 HE3 LYS 9 HE1 LYS 9 0.500 -0.061 -9.370
88 HZ1 LYS 9 HZ1 LYS 9 0.200 1.833 -11.594
89 HZ2 LYS 9 HZ2 LYS 9 -0.418 1.916 -10.022
90 HZ3 LYS 9 HZ3 LYS 9 -1.123 0.874 -11.153
91 H PHE 10 HN PHE 10 0.784 -0.514 -6.723
92 HA PHE 10 HA PHE 10 3.186 -0.827 -5.181
93 HB2 PHE 10 HB2 PHE 10 2.395 -0.604 -3.068
94 HB3 PHE 10 HB1 PHE 10 1.082 0.306 -3.807
95 HD1 PHE 10 HD1 PHE 10 -0.591 -1.676 -5.019
96 HD2 PHE 10 HD2 PHE 10 1.544 -1.868 -1.350
97 HE1 PHE 10 HE1 PHE 10 -2.195 -3.340 -4.187
98 HE2 PHE 10 HE2 PHE 10 -0.057 -3.540 -0.506
99 HZ PHE 10 HZ PHE 10 -1.929 -4.276 -1.932
100 H THR 11 HN THR 11 2.996 -3.077 -3.973
101 HA THR 11 HA THR 11 1.542 -4.911 -5.769
102 HB THR 11 HB THR 11 4.138 -5.503 -4.338
103 HG1 THR 11 HG1 THR 11 5.110 -5.192 -6.344
104 HG21 THR 11 HG21 THR 11 2.558 -7.394 -5.116
105 HG22 THR 11 HG22 THR 11 4.275 -7.476 -5.511
106 HG23 THR 11 HG23 THR 11 3.113 -6.955 -6.731
107 H ASP 12 HN ASP 12 -0.134 -5.783 -4.731
108 HA ASP 12 HA ASP 12 -0.672 -5.807 -2.007
109 HB2 ASP 12 HB2 ASP 12 -1.605 -7.451 -4.329
110 HB3 ASP 12 HB1 ASP 12 -2.048 -7.962 -2.704
111 H VAL 13 HN VAL 13 -1.006 -7.991 -0.769
112 HA VAL 13 HA VAL 13 1.581 -9.041 -0.256
113 HB VAL 13 HB VAL 13 -0.093 -8.795 1.527
114 HG11 VAL 13 HG11 VAL 13 -1.506 -11.030 0.074
115 HG12 VAL 13 HG12 VAL 13 -2.075 -9.372 0.261
116 HG13 VAL 13 HG13 VAL 13 -1.937 -10.423 1.672
117 HG21 VAL 13 HG21 VAL 13 1.794 -10.588 1.467
118 HG22 VAL 13 HG22 VAL 13 0.456 -11.728 1.325
119 HG23 VAL 13 HG23 VAL 13 0.560 -10.661 2.725
120 H ASN 14 HN ASN 14 -0.961 -9.954 -2.338
121 HA ASN 14 HA ASN 14 0.116 -12.653 -2.665
122 HB2 ASN 14 HB2 ASN 14 -2.422 -11.812 -2.417
123 HB3 ASN 14 HB1 ASN 14 -2.272 -11.800 -4.177
124 HD21 ASN 14 HD21 ASN 14 -1.563 -13.845 -1.370
125 HD22 ASN 14 HD22 ASN 14 -1.980 -15.345 -2.139
126 H GLY 15 HN GLY 15 0.672 -9.680 -3.968
127 HA2 GLY 15 HA2 GLY 15 2.264 -9.524 -5.779
128 HA3 GLY 15 HA1 GLY 15 1.460 -10.895 -6.537
129 H GLU 16 HN GLU 16 -1.114 -9.291 -5.564
130 HA GLU 16 HA GLU 16 -1.699 -8.218 -8.120
131 HB2 GLU 16 HB2 GLU 16 -3.163 -7.530 -5.576
132 HB3 GLU 16 HB1 GLU 16 -3.800 -7.579 -7.214
133 HG2 GLU 16 HG2 GLU 16 -3.324 -10.061 -7.183
134 HG3 GLU 16 HG1 GLU 16 -3.039 -9.886 -5.451
135 H THR 17 HN THR 17 -0.650 -6.491 -8.887
136 HA THR 17 HA THR 17 0.139 -4.354 -7.082
137 HB THR 17 HB THR 17 0.702 -4.738 -10.026
138 HG1 THR 17 HG1 THR 17 2.206 -5.309 -7.700
139 HG21 THR 17 HG21 THR 17 2.350 -3.002 -8.265
140 HG22 THR 17 HG22 THR 17 0.861 -2.361 -8.958
141 HG23 THR 17 HG23 THR 17 2.137 -2.963 -10.015
142 H LYS 18 HN LYS 18 -1.559 -3.056 -6.595
143 HA LYS 18 HA LYS 18 -2.761 -1.594 -8.822
144 HB2 LYS 18 HB2 LYS 18 -4.145 -3.613 -7.507
145 HB3 LYS 18 HB1 LYS 18 -4.731 -2.129 -6.748
146 HG2 LYS 18 HG2 LYS 18 -6.151 -2.688 -8.606
147 HG3 LYS 18 HG1 LYS 18 -5.244 -1.218 -8.984
148 HD2 LYS 18 HD2 LYS 18 -5.390 -2.880 -10.859
149 HD3 LYS 18 HD1 LYS 18 -3.749 -2.418 -10.406
150 HE2 LYS 18 HE2 LYS 18 -3.975 -4.840 -10.802
151 HE3 LYS 18 HE1 LYS 18 -3.477 -4.469 -9.151
152 HZ1 LYS 18 HZ1 LYS 18 -5.355 -6.187 -9.597
153 HZ2 LYS 18 HZ2 LYS 18 -6.335 -4.816 -9.744
154 HZ3 LYS 18 HZ3 LYS 18 -5.495 -5.103 -8.305
155 H THR 19 HN THR 19 -4.670 -0.226 -7.191
156 HA THR 19 HA THR 19 -2.944 1.761 -6.046
157 HB THR 19 HB THR 19 -4.956 3.060 -5.761
158 HG1 THR 19 HG1 THR 19 -6.616 1.853 -5.200
159 HG21 THR 19 HG21 THR 19 -3.899 2.579 -8.020
160 HG22 THR 19 HG22 THR 19 -5.519 3.293 -7.988
161 HG23 THR 19 HG23 THR 19 -5.314 1.569 -8.307
162 H TRP 20 HN TRP 20 -2.309 1.902 -4.071
163 HA TRP 20 HA TRP 20 -3.935 0.782 -1.938
164 HB2 TRP 20 HB2 TRP 20 -2.376 -0.858 -3.145
165 HB3 TRP 20 HB1 TRP 20 -1.088 -0.054 -2.263
166 HD1 TRP 20 HD1 TRP 20 -4.124 -2.331 -1.693
167 HE1 TRP 20 HE1 TRP 20 -3.894 -3.427 0.619
168 HE3 TRP 20 HE3 TRP 20 -0.077 0.247 0.009
169 HZ2 TRP 20 HZ2 TRP 20 -2.224 -3.210 2.886
170 HZ3 TRP 20 HZ3 TRP 20 0.784 -0.252 2.263
171 HH2 TRP 20 HH2 TRP 20 -0.269 -1.948 3.669
172 H THR 21 HN THR 21 -3.773 1.885 -0.109
173 HA THR 21 HA THR 21 -1.432 3.593 0.370
174 HB THR 21 HB THR 21 -3.277 5.013 -0.458
175 HG1 THR 21 HG1 THR 21 -2.756 6.478 0.949
176 HG21 THR 21 HG21 THR 21 -5.132 3.558 0.417
177 HG22 THR 21 HG22 THR 21 -5.324 5.293 0.668
178 HG23 THR 21 HG23 THR 21 -4.816 4.260 2.004
179 H GLY 22 HN GLY 22 -4.325 2.094 1.672
180 HA2 GLY 22 HA2 GLY 22 -2.930 0.952 3.895
181 HA3 GLY 22 HA1 GLY 22 -4.002 2.273 4.377
182 H GLN 23 HN GLN 23 -3.851 -0.988 3.087
183 HA GLN 23 HA GLN 23 -6.770 -1.149 3.222
184 HB2 GLN 23 HB2 GLN 23 -5.227 -1.726 1.084
185 HB3 GLN 23 HB1 GLN 23 -5.171 -3.286 1.892
186 HG2 GLN 23 HG2 GLN 23 -7.292 -3.771 1.371
187 HG3 GLN 23 HG1 GLN 23 -7.855 -2.130 1.686
188 HE21 GLN 23 HE21 GLN 23 -6.624 -4.338 -0.676
189 HE22 GLN 23 HE22 GLN 23 -6.912 -3.347 -2.061
190 H GLY 24 HN GLY 24 -6.379 -4.142 3.111
191 HA2 GLY 24 HA2 GLY 24 -6.004 -4.464 5.993
192 HA3 GLY 24 HA1 GLY 24 -6.812 -5.576 4.904
193 H ARG 25 HN ARG 25 -5.194 -6.294 3.035
194 HA ARG 25 HA ARG 25 -3.212 -7.849 4.337
195 HB2 ARG 25 HB2 ARG 25 -2.832 -8.859 2.284
196 HB3 ARG 25 HB1 ARG 25 -4.498 -8.326 2.126
197 HG2 ARG 25 HG2 ARG 25 -3.336 -6.193 1.077
198 HG3 ARG 25 HG1 ARG 25 -2.044 -7.352 0.759
199 HD2 ARG 25 HD2 ARG 25 -4.697 -7.078 -0.470
200 HD3 ARG 25 HD1 ARG 25 -3.209 -7.753 -1.126
201 HE ARG 25 HE ARG 25 -3.966 -9.675 0.574
202 HH11 ARG 25 HH11 ARG 25 -5.755 -7.919 -1.857
203 HH12 ARG 25 HH12 ARG 25 -6.847 -9.225 -2.170
204 HH21 ARG 25 HH21 ARG 25 -5.400 -11.390 0.159
205 HH22 ARG 25 HH22 ARG 25 -6.647 -11.195 -1.028
206 H THR 26 HN THR 26 -1.227 -7.273 4.915
207 HA THR 26 HA THR 26 -0.097 -4.853 3.700
208 HB THR 26 HB THR 26 1.293 -5.904 6.042
209 HG1 THR 26 HG1 THR 26 -0.355 -5.380 7.499
210 HG21 THR 26 HG21 THR 26 -0.086 -3.263 5.883
211 HG22 THR 26 HG22 THR 26 1.379 -3.563 4.948
212 HG23 THR 26 HG23 THR 26 1.411 -3.701 6.707
213 HA PRO 27 HA PRO 27 2.159 -8.217 1.461
214 HB2 PRO 27 HB2 PRO 27 3.437 -6.066 0.072
215 HB3 PRO 27 HB1 PRO 27 2.213 -7.177 -0.545
216 HG2 PRO 27 HG2 PRO 27 1.915 -4.433 0.524
217 HG3 PRO 27 HG1 PRO 27 0.905 -5.304 -0.641
218 HD2 PRO 27 HD2 PRO 27 0.071 -4.848 1.857
219 HD3 PRO 27 HD1 PRO 27 -0.309 -6.371 1.024
220 H LYS 28 HN LYS 28 4.172 -8.969 1.867
221 HA LYS 28 HA LYS 28 5.593 -8.283 4.062
222 HB2 LYS 28 HB2 LYS 28 6.345 -9.688 1.547
223 HB3 LYS 28 HB1 LYS 28 7.617 -9.298 2.697
224 HG2 LYS 28 HG2 LYS 28 6.625 -11.579 2.936
225 HG3 LYS 28 HG1 LYS 28 6.592 -10.595 4.400
226 HD2 LYS 28 HD2 LYS 28 4.264 -10.095 4.088
227 HD3 LYS 28 HD1 LYS 28 4.266 -10.860 2.497
228 HE2 LYS 28 HE2 LYS 28 4.635 -13.023 3.475
229 HE3 LYS 28 HE1 LYS 28 4.850 -12.311 5.074
230 HZ1 LYS 28 HZ1 LYS 28 2.671 -13.158 5.004
231 HZ2 LYS 28 HZ2 LYS 28 2.356 -12.485 3.485
232 HZ3 LYS 28 HZ3 LYS 28 2.505 -11.482 4.840
233 HA PRO 29 HA PRO 29 8.631 -5.480 1.458
234 HB2 PRO 29 HB2 PRO 29 6.794 -4.531 -0.658
235 HB3 PRO 29 HB1 PRO 29 8.493 -5.025 -0.776
236 HG2 PRO 29 HG2 PRO 29 6.518 -6.567 -1.731
237 HG3 PRO 29 HG1 PRO 29 7.964 -7.265 -0.979
238 HD2 PRO 29 HD2 PRO 29 5.213 -6.924 0.148
239 HD3 PRO 29 HD1 PRO 29 6.355 -8.273 0.339
240 H ILE 30 HN ILE 30 5.257 -4.465 0.923
241 HA ILE 30 HA ILE 30 5.626 -1.803 1.749
242 HB ILE 30 HB ILE 30 3.074 -3.413 1.789
243 HG12 ILE 30 HG12 ILE 30 4.536 -3.149 -0.398
244 HG13 ILE 30 HG11 ILE 30 2.787 -2.990 -0.458
245 HG21 ILE 30 HG21 ILE 30 3.704 -0.579 2.277
246 HG22 ILE 30 HG22 ILE 30 2.359 -1.562 2.854
247 HG23 ILE 30 HG23 ILE 30 2.323 -0.888 1.225
248 HD11 ILE 30 HD11 ILE 30 3.025 -0.549 -0.369
249 HD12 ILE 30 HD12 ILE 30 3.843 -1.257 -1.764
250 HD13 ILE 30 HD13 ILE 30 4.779 -0.737 -0.362
251 H ALA 31 HN ALA 31 4.870 -4.732 3.515
252 HA ALA 31 HA ALA 31 3.880 -3.671 5.885
253 HB1 ALA 31 HB1 ALA 31 5.123 -5.773 6.878
254 HB2 ALA 31 HB2 ALA 31 5.329 -6.171 5.172
255 HB3 ALA 31 HB3 ALA 31 3.710 -5.953 5.837
256 H GLN 32 HN GLN 32 7.222 -4.150 4.840
257 HA GLN 32 HA GLN 32 8.440 -3.357 7.263
258 HB2 GLN 32 HB2 GLN 32 9.744 -4.594 5.699
259 HB3 GLN 32 HB1 GLN 32 9.414 -3.449 4.409
260 HG2 GLN 32 HG2 GLN 32 10.663 -2.003 6.482
261 HG3 GLN 32 HG1 GLN 32 11.571 -3.499 6.275
262 HE21 GLN 32 HE21 GLN 32 9.805 -1.605 3.874
263 HE22 GLN 32 HE22 GLN 32 11.173 -1.259 2.878
264 H ALA 33 HN ALA 33 7.624 -1.591 4.295
265 HA ALA 33 HA ALA 33 8.683 0.898 5.154
266 HB1 ALA 33 HB1 ALA 33 6.470 0.581 3.148
267 HB2 ALA 33 HB2 ALA 33 8.145 0.171 2.776
268 HB3 ALA 33 HB3 ALA 33 7.720 1.823 3.222
269 H LEU 34 HN LEU 34 5.438 -0.515 5.260
270 HA LEU 34 HA LEU 34 4.205 1.808 6.367
271 HB2 LEU 34 HB2 LEU 34 3.408 -0.939 5.683
272 HB3 LEU 34 HB1 LEU 34 2.530 -0.242 7.031
273 HG LEU 34 HG LEU 34 2.720 0.909 4.247
274 HD11 LEU 34 HD11 LEU 34 1.280 -1.073 4.458
275 HD12 LEU 34 HD12 LEU 34 0.362 0.391 4.098
276 HD13 LEU 34 HD13 LEU 34 0.376 -0.262 5.737
277 HD21 LEU 34 HD21 LEU 34 1.968 2.089 6.806
278 HD22 LEU 34 HD22 LEU 34 0.713 2.231 5.574
279 HD23 LEU 34 HD23 LEU 34 2.330 2.861 5.262
280 H ALA 35 HN ALA 35 5.476 -1.204 7.703
281 HA ALA 35 HA ALA 35 4.603 -0.855 10.347
282 HB1 ALA 35 HB1 ALA 35 6.988 -2.338 9.256
283 HB2 ALA 35 HB2 ALA 35 5.396 -2.996 9.634
284 HB3 ALA 35 HB3 ALA 35 6.447 -2.429 10.932
285 H GLU 36 HN GLU 36 7.160 0.649 8.570
286 HA GLU 36 HA GLU 36 8.698 1.476 10.835
287 HB2 GLU 36 HB2 GLU 36 8.651 2.384 7.958
288 HB3 GLU 36 HB1 GLU 36 9.754 3.048 9.156
289 HG2 GLU 36 HG2 GLU 36 9.711 0.111 8.934
290 HG3 GLU 36 HG1 GLU 36 10.353 0.990 7.542
291 H GLY 37 HN GLY 37 5.777 2.549 9.436
292 HA2 GLY 37 HA2 GLY 37 4.456 4.121 10.732
293 HA3 GLY 37 HA1 GLY 37 5.940 5.015 11.049
294 H LYS 38 HN LYS 38 6.329 4.227 7.951
295 HA LYS 38 HA LYS 38 5.323 6.802 7.047
296 HB2 LYS 38 HB2 LYS 38 6.951 4.793 5.486
297 HB3 LYS 38 HB1 LYS 38 6.719 6.506 5.118
298 HG2 LYS 38 HG2 LYS 38 8.270 7.176 6.619
299 HG3 LYS 38 HG1 LYS 38 7.907 5.868 7.748
300 HD2 LYS 38 HD2 LYS 38 9.905 5.081 7.042
301 HD3 LYS 38 HD1 LYS 38 8.940 4.450 5.706
302 HE2 LYS 38 HE2 LYS 38 10.454 5.528 4.435
303 HE3 LYS 38 HE1 LYS 38 9.464 6.940 4.802
304 HZ1 LYS 38 HZ1 LYS 38 10.995 7.178 6.821
305 HZ2 LYS 38 HZ2 LYS 38 11.608 7.616 5.307
306 HZ3 LYS 38 HZ3 LYS 38 12.039 6.132 5.996
307 H SER 39 HN SER 39 3.983 7.081 5.245
308 HA SER 39 HA SER 39 2.109 4.887 4.815
309 HB2 SER 39 HB2 SER 39 1.624 7.487 5.232
310 HB3 SER 39 HB1 SER 39 1.750 7.521 3.465
311 HG SER 39 HG SER 39 -0.029 6.355 3.300
312 H LEU 40 HN LEU 40 1.174 4.935 2.447
313 HA LEU 40 HA LEU 40 3.189 3.899 0.769
314 HB2 LEU 40 HB2 LEU 40 0.293 4.480 0.526
315 HB3 LEU 40 HB1 LEU 40 1.196 4.254 -0.962
316 HG LEU 40 HG LEU 40 0.209 2.168 -0.302
317 HD11 LEU 40 HD11 LEU 40 2.993 2.586 -0.669
318 HD12 LEU 40 HD12 LEU 40 2.016 1.191 -1.132
319 HD13 LEU 40 HD13 LEU 40 2.774 1.247 0.460
320 HD21 LEU 40 HD21 LEU 40 -0.076 1.624 1.826
321 HD22 LEU 40 HD22 LEU 40 0.849 3.040 2.317
322 HD23 LEU 40 HD23 LEU 40 1.669 1.505 2.040
323 H ASP 41 HN ASP 41 2.238 7.079 1.353
324 HA ASP 41 HA ASP 41 2.459 8.370 -1.071
325 HB2 ASP 41 HB2 ASP 41 3.385 9.291 1.656
326 HB3 ASP 41 HB1 ASP 41 3.265 10.344 0.249
327 H ASP 42 HN ASP 42 4.943 6.840 0.794
328 HA ASP 42 HA ASP 42 7.162 8.181 -0.390
329 HB2 ASP 42 HB2 ASP 42 6.774 5.791 1.345
330 HB3 ASP 42 HB1 ASP 42 8.286 5.901 0.439
331 H PHE 43 HN PHE 43 5.309 5.291 -1.143
332 HA PHE 43 HA PHE 43 6.956 4.903 -3.553
333 HB2 PHE 43 HB2 PHE 43 5.094 2.874 -2.302
334 HB3 PHE 43 HB1 PHE 43 6.290 2.597 -3.570
335 HD1 PHE 43 HD1 PHE 43 8.503 4.272 -2.244
336 HD2 PHE 43 HD2 PHE 43 5.897 1.238 -0.787
337 HE1 PHE 43 HE1 PHE 43 10.170 3.664 -0.539
338 HE2 PHE 43 HE2 PHE 43 7.559 0.626 0.920
339 HZ PHE 43 HZ PHE 43 9.698 1.839 1.046
340 H LEU 44 HN LEU 44 4.619 6.759 -3.080
341 HA LEU 44 HA LEU 44 2.368 5.776 -4.461
342 HB2 LEU 44 HB2 LEU 44 1.556 7.988 -4.459
343 HB3 LEU 44 HB1 LEU 44 2.466 7.808 -2.973
344 HG LEU 44 HG LEU 44 4.415 8.859 -4.399
345 HD11 LEU 44 HD11 LEU 44 2.394 8.888 -6.291
346 HD12 LEU 44 HD12 LEU 44 3.904 9.798 -6.351
347 HD13 LEU 44 HD13 LEU 44 2.448 10.547 -5.696
348 HD21 LEU 44 HD21 LEU 44 3.988 10.878 -3.356
349 HD22 LEU 44 HD22 LEU 44 3.052 9.748 -2.377
350 HD23 LEU 44 HD23 LEU 44 2.244 10.746 -3.586
351 H ILE 45 HN ILE 45 2.006 5.445 -6.546
352 HA ILE 45 HA ILE 45 2.433 5.207 -8.778
353 HB ILE 45 HB ILE 45 3.181 8.124 -8.639
354 HG12 ILE 45 HG12 ILE 45 1.114 7.842 -7.408
355 HG13 ILE 45 HG11 ILE 45 0.753 8.565 -8.972
356 HG21 ILE 45 HG21 ILE 45 1.777 6.594 -10.819
357 HG22 ILE 45 HG22 ILE 45 3.517 6.876 -10.782
358 HG23 ILE 45 HG23 ILE 45 2.405 8.241 -10.889
359 HD11 ILE 45 HD11 ILE 45 -0.140 6.547 -9.801
360 HD12 ILE 45 HD12 ILE 45 -0.814 6.762 -8.186
361 HD13 ILE 45 HD13 ILE 45 0.505 5.620 -8.446
Start of MODEL 10
1 H1 ARG 1 HT1 ARG 1 -10.634 -1.678 8.297
2 H2 ARG 1 HT2 ARG 1 -11.661 -1.018 7.090
3 H3 ARG 1 HT3 ARG 1 -12.308 -1.484 8.610
4 HA ARG 1 HA ARG 1 -12.094 0.874 8.452
5 HB2 ARG 1 HB2 ARG 1 -10.380 -0.700 10.352
6 HB3 ARG 1 HB1 ARG 1 -10.464 1.051 10.477
7 HG2 ARG 1 HG2 ARG 1 -13.009 0.722 10.544
8 HG3 ARG 1 HG1 ARG 1 -12.634 -0.968 10.889
9 HD2 ARG 1 HD2 ARG 1 -11.125 -0.061 12.745
10 HD3 ARG 1 HD1 ARG 1 -11.964 1.472 12.507
11 HE ARG 1 HE ARG 1 -13.931 -0.435 12.825
12 HH11 ARG 1 HH11 ARG 1 -11.269 0.804 14.712
13 HH12 ARG 1 HH12 ARG 1 -12.040 0.497 16.231
14 HH21 ARG 1 HH21 ARG 1 -14.947 -0.839 14.823
15 HH22 ARG 1 HH22 ARG 1 -14.128 -0.436 16.295
16 H GLN 2 HN GLN 2 -11.209 1.941 6.741
17 HA GLN 2 HA GLN 2 -8.297 2.317 6.815
18 HB2 GLN 2 HB2 GLN 2 -8.335 2.402 4.299
19 HB3 GLN 2 HB1 GLN 2 -8.608 0.810 4.995
20 HG2 GLN 2 HG2 GLN 2 -10.784 0.732 4.323
21 HG3 GLN 2 HG1 GLN 2 -10.975 2.484 4.361
22 HE21 GLN 2 HE21 GLN 2 -12.034 2.025 2.275
23 HE22 GLN 2 HE22 GLN 2 -11.051 1.967 0.856
24 HA PRO 3 HA PRO 3 -9.375 6.590 6.179
25 HB2 PRO 3 HB2 PRO 3 -6.953 7.422 5.105
26 HB3 PRO 3 HB1 PRO 3 -7.258 7.160 6.827
27 HG2 PRO 3 HG2 PRO 3 -5.522 5.673 5.121
28 HG3 PRO 3 HG1 PRO 3 -5.899 5.356 6.821
29 HD2 PRO 3 HD2 PRO 3 -7.014 4.107 4.361
30 HD3 PRO 3 HD1 PRO 3 -6.849 3.436 6.007
31 H ARG 4 HN ARG 4 -9.699 8.274 4.481
32 HA ARG 4 HA ARG 4 -10.729 7.326 2.103
33 HB2 ARG 4 HB2 ARG 4 -9.712 9.965 3.013
34 HB3 ARG 4 HB1 ARG 4 -9.874 9.752 1.276
35 HG2 ARG 4 HG2 ARG 4 -12.114 9.168 3.187
36 HG3 ARG 4 HG1 ARG 4 -11.847 10.765 2.484
37 HD2 ARG 4 HD2 ARG 4 -11.847 9.522 0.225
38 HD3 ARG 4 HD1 ARG 4 -12.599 8.203 1.121
39 HE ARG 4 HE ARG 4 -14.044 10.489 1.711
40 HH11 ARG 4 HH11 ARG 4 -13.295 8.583 -1.115
41 HH12 ARG 4 HH12 ARG 4 -14.773 8.977 -1.926
42 HH21 ARG 4 HH21 ARG 4 -15.989 11.008 0.645
43 HH22 ARG 4 HH22 ARG 4 -16.303 10.354 -0.928
44 HA PRO 5 HA PRO 5 -6.706 6.210 0.381
45 HB2 PRO 5 HB2 PRO 5 -7.408 3.957 -0.795
46 HB3 PRO 5 HB1 PRO 5 -7.411 4.068 0.966
47 HG2 PRO 5 HG2 PRO 5 -9.720 4.233 -0.935
48 HG3 PRO 5 HG1 PRO 5 -9.596 3.359 0.604
49 HD2 PRO 5 HD2 PRO 5 -10.730 5.884 0.265
50 HD3 PRO 5 HD1 PRO 5 -10.180 5.202 1.810
51 H ALA 6 HN ALA 6 -5.803 6.887 -1.465
52 HA ALA 6 HA ALA 6 -7.588 7.642 -3.669
53 HB1 ALA 6 HB1 ALA 6 -5.835 9.209 -2.411
54 HB2 ALA 6 HB2 ALA 6 -6.233 9.409 -4.117
55 HB3 ALA 6 HB3 ALA 6 -4.768 8.545 -3.649
56 H LYS 7 HN LYS 7 -5.506 7.848 -5.641
57 HA LYS 7 HA LYS 7 -5.193 4.999 -6.228
58 HB2 LYS 7 HB2 LYS 7 -6.329 6.288 -7.945
59 HB3 LYS 7 HB1 LYS 7 -4.988 7.427 -8.019
60 HG2 LYS 7 HG2 LYS 7 -4.580 4.510 -8.614
61 HG3 LYS 7 HG1 LYS 7 -5.190 5.622 -9.845
62 HD2 LYS 7 HD2 LYS 7 -2.519 5.667 -8.447
63 HD3 LYS 7 HD1 LYS 7 -2.851 5.514 -10.169
64 HE2 LYS 7 HE2 LYS 7 -3.138 7.954 -8.431
65 HE3 LYS 7 HE1 LYS 7 -2.071 7.723 -9.814
66 HZ1 LYS 7 HZ1 LYS 7 -5.037 7.769 -9.972
67 HZ2 LYS 7 HZ2 LYS 7 -3.959 7.691 -11.273
68 HZ3 LYS 7 HZ3 LYS 7 -4.036 9.088 -10.323
69 H TYR 8 HN TYR 8 -3.309 4.051 -6.258
70 HA TYR 8 HA TYR 8 -0.846 5.471 -6.667
71 HB2 TYR 8 HB2 TYR 8 -1.590 4.243 -4.027
72 HB3 TYR 8 HB1 TYR 8 0.100 4.351 -4.529
73 HD1 TYR 8 HD1 TYR 8 -0.077 7.012 -5.964
74 HD2 TYR 8 HD2 TYR 8 -1.569 5.737 -2.189
75 HE1 TYR 8 HE1 TYR 8 -0.006 9.328 -5.165
76 HE2 TYR 8 HE2 TYR 8 -1.495 8.056 -1.373
77 HH TYR 8 HH TYR 8 0.191 10.348 -2.489
78 H LYS 9 HN LYS 9 1.033 3.817 -6.587
79 HA LYS 9 HA LYS 9 0.007 1.280 -7.677
80 HB2 LYS 9 HB2 LYS 9 1.439 3.167 -9.021
81 HB3 LYS 9 HB1 LYS 9 2.716 2.085 -8.479
82 HG2 LYS 9 HG2 LYS 9 0.280 1.258 -10.043
83 HG3 LYS 9 HG1 LYS 9 1.886 1.531 -10.721
84 HD2 LYS 9 HD2 LYS 9 2.673 -0.442 -9.972
85 HD3 LYS 9 HD1 LYS 9 1.800 -0.323 -8.443
86 HE2 LYS 9 HE2 LYS 9 0.627 -2.037 -9.353
87 HE3 LYS 9 HE1 LYS 9 -0.275 -0.704 -10.072
88 HZ1 LYS 9 HZ1 LYS 9 1.802 -2.392 -11.334
89 HZ2 LYS 9 HZ2 LYS 9 1.321 -0.914 -12.001
90 HZ3 LYS 9 HZ3 LYS 9 0.197 -2.165 -11.821
91 H PHE 10 HN PHE 10 0.530 -0.474 -6.651
92 HA PHE 10 HA PHE 10 3.060 -0.844 -5.321
93 HB2 PHE 10 HB2 PHE 10 2.419 -0.664 -3.153
94 HB3 PHE 10 HB1 PHE 10 1.074 0.278 -3.781
95 HD1 PHE 10 HD2 PHE 10 -0.658 -1.729 -4.949
96 HD2 PHE 10 HD1 PHE 10 1.612 -1.875 -1.359
97 HE1 PHE 10 HE2 PHE 10 -2.229 -3.382 -4.039
98 HE2 PHE 10 HE1 PHE 10 0.044 -3.537 -0.436
99 HZ PHE 10 HZ PHE 10 -1.879 -4.292 -1.783
100 H THR 11 HN THR 11 2.965 -3.115 -4.175
101 HA THR 11 HA THR 11 1.374 -4.897 -5.903
102 HB THR 11 HB THR 11 3.192 -6.567 -5.611
103 HG1 THR 11 HG1 THR 11 4.041 -5.643 -3.661
104 HG21 THR 11 HG21 THR 11 3.926 -5.796 -7.544
105 HG22 THR 11 HG22 THR 11 4.975 -4.688 -6.660
106 HG23 THR 11 HG23 THR 11 3.366 -4.168 -7.159
107 H ASP 12 HN ASP 12 -0.189 -5.913 -4.832
108 HA ASP 12 HA ASP 12 -0.667 -5.935 -2.106
109 HB2 ASP 12 HB2 ASP 12 -1.466 -7.838 -4.302
110 HB3 ASP 12 HB1 ASP 12 -1.979 -8.097 -2.639
111 H VAL 13 HN VAL 13 -0.826 -8.182 -0.861
112 HA VAL 13 HA VAL 13 1.865 -9.019 -0.409
113 HB VAL 13 HB VAL 13 0.265 -8.842 1.443
114 HG11 VAL 13 HG11 VAL 13 -1.750 -9.513 0.331
115 HG12 VAL 13 HG12 VAL 13 -1.466 -10.616 1.679
116 HG13 VAL 13 HG13 VAL 13 -1.104 -11.124 0.028
117 HG21 VAL 13 HG21 VAL 13 1.321 -10.449 2.601
118 HG22 VAL 13 HG22 VAL 13 2.171 -10.767 1.089
119 HG23 VAL 13 HG23 VAL 13 0.758 -11.728 1.525
120 H ASN 14 HN ASN 14 -0.509 -10.013 -2.556
121 HA ASN 14 HA ASN 14 0.518 -12.743 -2.727
122 HB2 ASN 14 HB2 ASN 14 -2.008 -11.781 -2.809
123 HB3 ASN 14 HB1 ASN 14 -1.641 -11.874 -4.534
124 HD21 ASN 14 HD21 ASN 14 -1.260 -13.802 -1.578
125 HD22 ASN 14 HD22 ASN 14 -1.686 -15.319 -2.307
126 H GLY 15 HN GLY 15 1.098 -9.741 -4.082
127 HA2 GLY 15 HA2 GLY 15 2.908 -9.540 -5.665
128 HA3 GLY 15 HA1 GLY 15 2.342 -11.023 -6.429
129 H GLU 16 HN GLU 16 -0.222 -8.957 -5.606
130 HA GLU 16 HA GLU 16 -0.902 -8.518 -8.326
131 HB2 GLU 16 HB2 GLU 16 -2.038 -7.020 -5.967
132 HB3 GLU 16 HB1 GLU 16 -2.812 -7.344 -7.511
133 HG2 GLU 16 HG2 GLU 16 -2.811 -9.754 -6.959
134 HG3 GLU 16 HG1 GLU 16 -2.152 -9.356 -5.373
135 H THR 17 HN THR 17 -1.807 -5.893 -8.436
136 HA THR 17 HA THR 17 0.317 -4.083 -7.777
137 HB THR 17 HB THR 17 0.149 -3.714 -10.565
138 HG1 THR 17 HG1 THR 17 0.617 -5.672 -11.409
139 HG21 THR 17 HG21 THR 17 2.113 -3.315 -9.072
140 HG22 THR 17 HG22 THR 17 2.479 -4.120 -10.598
141 HG23 THR 17 HG23 THR 17 2.404 -5.054 -9.104
142 H LYS 18 HN LYS 18 -1.511 -3.046 -6.761
143 HA LYS 18 HA LYS 18 -2.985 -1.376 -8.668
144 HB2 LYS 18 HB2 LYS 18 -4.169 -3.526 -7.330
145 HB3 LYS 18 HB1 LYS 18 -4.688 -2.092 -6.437
146 HG2 LYS 18 HG2 LYS 18 -6.308 -2.550 -8.133
147 HG3 LYS 18 HG1 LYS 18 -5.430 -1.082 -8.581
148 HD2 LYS 18 HD2 LYS 18 -5.815 -2.675 -10.471
149 HD3 LYS 18 HD1 LYS 18 -4.120 -2.276 -10.189
150 HE2 LYS 18 HE2 LYS 18 -3.664 -4.368 -9.247
151 HE3 LYS 18 HE1 LYS 18 -5.370 -4.711 -8.961
152 HZ1 LYS 18 HZ1 LYS 18 -5.543 -4.628 -11.507
153 HZ2 LYS 18 HZ2 LYS 18 -4.860 -6.002 -10.794
154 HZ3 LYS 18 HZ3 LYS 18 -3.862 -4.828 -11.493
155 H THR 19 HN THR 19 -4.666 -0.163 -6.750
156 HA THR 19 HA THR 19 -2.751 1.608 -5.461
157 HB THR 19 HB THR 19 -4.501 3.163 -5.302
158 HG1 THR 19 HG1 THR 19 -6.323 2.392 -4.595
159 HG21 THR 19 HG21 THR 19 -5.491 3.232 -7.482
160 HG22 THR 19 HG22 THR 19 -5.121 1.519 -7.716
161 HG23 THR 19 HG23 THR 19 -3.812 2.692 -7.590
162 H TRP 20 HN TRP 20 -2.277 1.513 -3.411
163 HA TRP 20 HA TRP 20 -4.196 0.394 -1.549
164 HB2 TRP 20 HB2 TRP 20 -3.062 -1.479 -2.531
165 HB3 TRP 20 HB1 TRP 20 -1.503 -0.778 -2.154
166 HD1 TRP 20 HD1 TRP 20 -4.210 -2.928 -0.656
167 HE1 TRP 20 HE1 TRP 20 -3.519 -3.628 1.727
168 HE3 TRP 20 HE3 TRP 20 -0.193 0.123 -0.070
169 HZ2 TRP 20 HZ2 TRP 20 -1.528 -2.956 3.612
170 HZ3 TRP 20 HZ3 TRP 20 1.063 0.056 2.048
171 HH2 TRP 20 HH2 TRP 20 0.404 -1.461 3.852
172 H THR 21 HN THR 21 -4.195 1.557 0.224
173 HA THR 21 HA THR 21 -1.708 2.895 1.069
174 HB THR 21 HB THR 21 -3.519 4.460 0.337
175 HG1 THR 21 HG1 THR 21 -2.872 5.779 1.831
176 HG21 THR 21 HG21 THR 21 -5.513 4.756 1.565
177 HG22 THR 21 HG22 THR 21 -5.026 3.572 2.778
178 HG23 THR 21 HG23 THR 21 -5.427 3.046 1.143
179 H GLY 22 HN GLY 22 -4.706 1.380 2.073
180 HA2 GLY 22 HA2 GLY 22 -3.448 -0.092 4.176
181 HA3 GLY 22 HA1 GLY 22 -4.480 1.205 4.791
182 H GLN 23 HN GLN 23 -4.542 -1.508 2.463
183 HA GLN 23 HA GLN 23 -7.409 -1.636 2.524
184 HB2 GLN 23 HB2 GLN 23 -5.266 -3.304 1.210
185 HB3 GLN 23 HB1 GLN 23 -6.942 -3.827 1.213
186 HG2 GLN 23 HG2 GLN 23 -7.349 -1.388 0.303
187 HG3 GLN 23 HG1 GLN 23 -5.668 -1.553 -0.201
188 HE21 GLN 23 HE21 GLN 23 -5.662 -4.296 -0.753
189 HE22 GLN 23 HE22 GLN 23 -6.640 -4.574 -2.150
190 H GLY 24 HN GLY 24 -5.422 -4.513 2.890
191 HA2 GLY 24 HA2 GLY 24 -6.345 -4.949 5.612
192 HA3 GLY 24 HA1 GLY 24 -6.988 -6.058 4.399
193 H ARG 25 HN ARG 25 -4.827 -6.365 2.752
194 HA ARG 25 HA ARG 25 -3.155 -8.099 4.349
195 HB2 ARG 25 HB2 ARG 25 -2.312 -8.920 2.264
196 HB3 ARG 25 HB1 ARG 25 -4.052 -8.744 2.094
197 HG2 ARG 25 HG2 ARG 25 -2.865 -6.307 1.275
198 HG3 ARG 25 HG1 ARG 25 -1.980 -7.619 0.500
199 HD2 ARG 25 HD2 ARG 25 -4.958 -7.709 0.513
200 HD3 ARG 25 HD1 ARG 25 -4.157 -6.585 -0.582
201 HE ARG 25 HE ARG 25 -2.877 -8.894 -1.086
202 HH11 ARG 25 HH11 ARG 25 -6.268 -8.087 -0.911
203 HH12 ARG 25 HH12 ARG 25 -6.741 -9.292 -2.061
204 HH21 ARG 25 HH21 ARG 25 -3.498 -10.477 -2.600
205 HH22 ARG 25 HH22 ARG 25 -5.170 -10.648 -3.020
206 H THR 26 HN THR 26 -1.012 -7.774 4.825
207 HA THR 26 HA THR 26 0.073 -5.168 4.004
208 HB THR 26 HB THR 26 1.456 -6.371 6.247
209 HG1 THR 26 HG1 THR 26 -0.534 -7.228 6.803
210 HG21 THR 26 HG21 THR 26 1.070 -3.869 5.319
211 HG22 THR 26 HG22 THR 26 1.591 -4.253 6.962
212 HG23 THR 26 HG23 THR 26 -0.111 -3.922 6.629
213 HA PRO 27 HA PRO 27 2.448 -8.271 1.512
214 HB2 PRO 27 HB2 PRO 27 3.550 -5.983 0.207
215 HB3 PRO 27 HB1 PRO 27 2.350 -7.110 -0.427
216 HG2 PRO 27 HG2 PRO 27 1.976 -4.455 0.832
217 HG3 PRO 27 HG1 PRO 27 0.974 -5.283 -0.365
218 HD2 PRO 27 HD2 PRO 27 0.195 -5.046 2.176
219 HD3 PRO 27 HD1 PRO 27 -0.147 -6.519 1.242
220 H LYS 28 HN LYS 28 4.517 -8.906 1.826
221 HA LYS 28 HA LYS 28 5.946 -8.237 4.032
222 HB2 LYS 28 HB2 LYS 28 7.335 -9.091 1.504
223 HB3 LYS 28 HB1 LYS 28 7.776 -9.457 3.163
224 HG2 LYS 28 HG2 LYS 28 5.527 -10.589 1.537
225 HG3 LYS 28 HG1 LYS 28 6.863 -11.437 2.316
226 HD2 LYS 28 HD2 LYS 28 4.598 -10.022 3.727
227 HD3 LYS 28 HD1 LYS 28 4.769 -11.768 3.536
228 HE2 LYS 28 HE2 LYS 28 7.053 -11.437 4.697
229 HE3 LYS 28 HE1 LYS 28 6.395 -9.880 5.201
230 HZ1 LYS 28 HZ1 LYS 28 5.738 -11.164 6.937
231 HZ2 LYS 28 HZ2 LYS 28 5.620 -12.579 6.017
232 HZ3 LYS 28 HZ3 LYS 28 4.401 -11.410 5.930
233 HA PRO 29 HA PRO 29 8.870 -5.221 1.568
234 HB2 PRO 29 HB2 PRO 29 7.681 -4.063 -0.637
235 HB3 PRO 29 HB1 PRO 29 8.816 -5.424 -0.700
236 HG2 PRO 29 HG2 PRO 29 5.827 -5.436 -0.813
237 HG3 PRO 29 HG1 PRO 29 6.990 -6.410 -1.730
238 HD2 PRO 29 HD2 PRO 29 5.646 -7.418 0.364
239 HD3 PRO 29 HD1 PRO 29 7.326 -7.888 0.018
240 H ILE 30 HN ILE 30 5.548 -4.250 0.710
241 HA ILE 30 HA ILE 30 5.776 -1.615 1.611
242 HB ILE 30 HB ILE 30 3.260 -3.270 1.476
243 HG12 ILE 30 HG12 ILE 30 4.906 -2.917 -0.610
244 HG13 ILE 30 HG11 ILE 30 3.156 -2.950 -0.783
245 HG21 ILE 30 HG21 ILE 30 2.452 -0.805 0.872
246 HG22 ILE 30 HG22 ILE 30 3.813 -0.402 1.919
247 HG23 ILE 30 HG23 ILE 30 2.504 -1.417 2.523
248 HD11 ILE 30 HD11 ILE 30 3.137 -0.485 -0.700
249 HD12 ILE 30 HD12 ILE 30 4.074 -1.126 -2.052
250 HD13 ILE 30 HD13 ILE 30 4.900 -0.502 -0.623
251 H ALA 31 HN ALA 31 4.990 -4.569 3.313
252 HA ALA 31 HA ALA 31 3.782 -3.571 5.602
253 HB1 ALA 31 HB1 ALA 31 3.853 -5.924 5.255
254 HB2 ALA 31 HB2 ALA 31 4.745 -5.592 6.740
255 HB3 ALA 31 HB3 ALA 31 5.616 -5.932 5.245
256 H GLN 32 HN GLN 32 7.237 -3.957 4.888
257 HA GLN 32 HA GLN 32 8.194 -3.067 7.382
258 HB2 GLN 32 HB2 GLN 32 9.635 -4.252 5.830
259 HB3 GLN 32 HB1 GLN 32 9.460 -2.974 4.637
260 HG2 GLN 32 HG2 GLN 32 10.434 -1.558 6.709
261 HG3 GLN 32 HG1 GLN 32 11.178 -3.125 7.018
262 HE21 GLN 32 HE21 GLN 32 10.412 -1.341 4.049
263 HE22 GLN 32 HE22 GLN 32 12.015 -1.380 3.407
264 H ALA 33 HN ALA 33 7.582 -1.352 4.333
265 HA ALA 33 HA ALA 33 8.411 1.193 5.246
266 HB1 ALA 33 HB1 ALA 33 6.900 0.154 2.924
267 HB2 ALA 33 HB2 ALA 33 8.302 1.222 2.982
268 HB3 ALA 33 HB3 ALA 33 6.693 1.862 3.314
269 H LEU 34 HN LEU 34 5.317 -0.489 5.292
270 HA LEU 34 HA LEU 34 3.807 1.736 6.247
271 HB2 LEU 34 HB2 LEU 34 3.300 -1.223 6.103
272 HB3 LEU 34 HB1 LEU 34 2.169 -0.148 6.896
273 HG LEU 34 HG LEU 34 2.092 -0.870 4.263
274 HD11 LEU 34 HD11 LEU 34 1.003 1.721 5.333
275 HD12 LEU 34 HD12 LEU 34 0.317 0.140 5.708
276 HD13 LEU 34 HD13 LEU 34 0.336 0.721 4.042
277 HD21 LEU 34 HD21 LEU 34 2.635 1.075 2.924
278 HD22 LEU 34 HD22 LEU 34 4.076 0.481 3.747
279 HD23 LEU 34 HD23 LEU 34 3.244 1.913 4.350
280 H ALA 35 HN ALA 35 5.611 -0.876 7.719
281 HA ALA 35 HA ALA 35 4.631 -0.674 10.341
282 HB1 ALA 35 HB1 ALA 35 7.048 -1.803 9.061
283 HB2 ALA 35 HB2 ALA 35 5.889 -2.553 10.158
284 HB3 ALA 35 HB3 ALA 35 7.140 -1.485 10.793
285 H GLU 36 HN GLU 36 6.906 1.247 8.539
286 HA GLU 36 HA GLU 36 8.037 2.587 10.800
287 HB2 GLU 36 HB2 GLU 36 7.979 3.479 7.913
288 HB3 GLU 36 HB1 GLU 36 9.053 4.076 9.171
289 HG2 GLU 36 HG2 GLU 36 9.107 1.168 8.687
290 HG3 GLU 36 HG1 GLU 36 9.742 2.194 7.395
291 H GLY 37 HN GLY 37 5.084 2.870 9.097
292 HA2 GLY 37 HA2 GLY 37 3.341 4.194 10.150
293 HA3 GLY 37 HA1 GLY 37 4.559 5.419 10.490
294 H LYS 38 HN LYS 38 5.312 4.446 7.478
295 HA LYS 38 HA LYS 38 3.912 6.707 6.297
296 HB2 LYS 38 HB2 LYS 38 6.063 4.912 5.153
297 HB3 LYS 38 HB1 LYS 38 5.423 6.369 4.383
298 HG2 LYS 38 HG2 LYS 38 6.460 6.720 7.118
299 HG3 LYS 38 HG1 LYS 38 7.655 6.307 5.887
300 HD2 LYS 38 HD2 LYS 38 7.689 8.527 5.513
301 HD3 LYS 38 HD1 LYS 38 6.216 8.209 4.594
302 HE2 LYS 38 HE2 LYS 38 5.825 8.598 7.481
303 HE3 LYS 38 HE1 LYS 38 6.418 10.013 6.613
304 HZ1 LYS 38 HZ1 LYS 38 4.475 9.206 4.984
305 HZ2 LYS 38 HZ2 LYS 38 4.239 10.323 6.232
306 HZ3 LYS 38 HZ3 LYS 38 3.837 8.697 6.467
307 H SER 39 HN SER 39 2.975 6.500 4.122
308 HA SER 39 HA SER 39 1.538 3.942 3.830
309 HB2 SER 39 HB2 SER 39 0.664 6.564 2.618
310 HB3 SER 39 HB1 SER 39 -0.309 5.122 2.957
311 HG SER 39 HG SER 39 -0.801 6.236 4.687
312 H LEU 40 HN LEU 40 0.564 4.434 1.214
313 HA LEU 40 HA LEU 40 2.721 3.474 -0.330
314 HB2 LEU 40 HB2 LEU 40 0.017 3.487 -0.616
315 HB3 LEU 40 HB1 LEU 40 0.490 4.682 -1.811
316 HG LEU 40 HG LEU 40 1.961 3.053 -2.887
317 HD11 LEU 40 HD11 LEU 40 2.619 1.162 -1.923
318 HD12 LEU 40 HD12 LEU 40 0.963 0.698 -1.536
319 HD13 LEU 40 HD13 LEU 40 1.861 1.754 -0.444
320 HD21 LEU 40 HD21 LEU 40 0.223 2.453 -4.128
321 HD22 LEU 40 HD22 LEU 40 -0.851 3.006 -2.844
322 HD23 LEU 40 HD23 LEU 40 -0.320 1.327 -2.885
323 H ASP 41 HN ASP 41 2.014 6.606 0.630
324 HA ASP 41 HA ASP 41 2.585 8.186 -1.567
325 HB2 ASP 41 HB2 ASP 41 3.344 9.894 0.068
326 HB3 ASP 41 HB1 ASP 41 1.814 9.148 0.521
327 H ASP 42 HN ASP 42 4.704 6.167 0.274
328 HA ASP 42 HA ASP 42 7.140 7.452 -0.511
329 HB2 ASP 42 HB2 ASP 42 6.827 5.987 1.538
330 HB3 ASP 42 HB1 ASP 42 6.823 4.602 0.442
331 H PHE 43 HN PHE 43 5.276 4.670 -1.647
332 HA PHE 43 HA PHE 43 7.072 4.496 -3.975
333 HB2 PHE 43 HB2 PHE 43 5.369 2.217 -3.885
334 HB3 PHE 43 HB1 PHE 43 7.117 2.284 -3.658
335 HD1 PHE 43 HD2 PHE 43 3.897 2.639 -1.841
336 HD2 PHE 43 HD1 PHE 43 8.049 1.742 -1.601
337 HE1 PHE 43 HE2 PHE 43 3.604 1.925 0.495
338 HE2 PHE 43 HE1 PHE 43 7.763 1.026 0.736
339 HZ PHE 43 HZ PHE 43 5.536 1.118 1.785
340 H LEU 44 HN LEU 44 4.874 6.390 -3.662
341 HA LEU 44 HA LEU 44 2.588 5.560 -5.073
342 HB2 LEU 44 HB2 LEU 44 1.976 7.838 -5.185
343 HB3 LEU 44 HB1 LEU 44 2.813 7.626 -3.661
344 HG LEU 44 HG LEU 44 4.866 8.416 -5.261
345 HD11 LEU 44 HD11 LEU 44 2.726 8.845 -6.895
346 HD12 LEU 44 HD12 LEU 44 4.262 9.708 -6.988
347 HD13 LEU 44 HD13 LEU 44 2.905 10.415 -6.112
348 HD21 LEU 44 HD21 LEU 44 3.376 10.682 -4.186
349 HD22 LEU 44 HD22 LEU 44 4.980 10.079 -3.771
350 HD23 LEU 44 HD23 LEU 44 3.549 9.351 -3.042
351 H ILE 45 HN ILE 45 2.693 4.682 -7.034
352 HA ILE 45 HA ILE 45 3.282 4.283 -9.203
353 HB ILE 45 HB ILE 45 3.117 7.299 -9.230
354 HG12 ILE 45 HG12 ILE 45 0.877 6.784 -10.285
355 HG13 ILE 45 HG11 ILE 45 1.141 5.098 -9.852
356 HG21 ILE 45 HG21 ILE 45 4.160 7.034 -11.227
357 HG22 ILE 45 HG22 ILE 45 2.521 6.644 -11.750
358 HG23 ILE 45 HG23 ILE 45 3.663 5.350 -11.389
359 HD11 ILE 45 HD11 ILE 45 0.972 5.539 -7.573
360 HD12 ILE 45 HD12 ILE 45 -0.289 6.532 -8.302
361 HD13 ILE 45 HD13 ILE 45 1.231 7.269 -7.794
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