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 |
|
|
22881 |
2jro   |
15337 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA MET 1 HA MET 1 5.373 9.445 6.262
2 H1 MET 1 1H MET 1 3.401 10.692 5.692
3 H2 MET 1 2H MET 1 2.580 10.080 7.039
4 H3 MET 1 3H MET 1 3.041 9.038 5.787
5 HB2 MET 1 2HB MET 1 4.259 11.060 8.566
6 HB3 MET 1 1HB MET 1 5.950 10.623 8.374
7 HG2 MET 1 2HG MET 1 6.014 11.910 6.278
8 HG3 MET 1 1HG MET 1 4.341 12.395 6.550
9 HE1 MET 1 3HE MET 1 3.568 13.863 8.673
10 HE2 MET 1 1HE MET 1 4.692 14.463 9.894
11 HE3 MET 1 2HE MET 1 4.376 12.733 9.760
12 H ARG 2 H ARG 2 3.614 7.340 6.516
13 HA ARG 2 HA ARG 2 3.835 6.467 9.317
14 HE ARG 2 HE ARG 2 2.049 7.324 10.181
15 HB2 ARG 2 2HB ARG 2 1.565 6.541 8.154
16 HB3 ARG 2 1HB ARG 2 2.133 5.201 7.167
17 HG2 ARG 2 2HG ARG 2 1.086 4.021 8.789
18 HG3 ARG 2 1HG ARG 2 2.670 4.171 9.553
19 HD2 ARG 2 2HD ARG 2 0.166 5.737 10.114
20 HD3 ARG 2 1HD ARG 2 1.091 4.725 11.217
21 HH11 ARG 2 1HH1 ARG 2 1.797 4.933 12.718
22 HH12 ARG 2 2HH1 ARG 2 2.598 5.913 13.907
23 HH21 ARG 2 1HH2 ARG 2 3.100 8.632 11.738
24 HH22 ARG 2 2HH2 ARG 2 3.337 8.023 13.348
25 H VAL 3 H VAL 3 5.521 5.171 9.714
26 HA VAL 3 HA VAL 3 6.746 3.669 7.565
27 HB VAL 3 HB VAL 3 8.451 3.077 9.211
28 HG11 VAL 3 1HG1 VAL 3 8.694 5.168 8.003
29 HG12 VAL 3 2HG1 VAL 3 9.326 5.330 9.641
30 HG13 VAL 3 3HG1 VAL 3 7.750 6.006 9.233
31 HG21 VAL 3 3HG2 VAL 3 6.764 4.615 11.179
32 HG22 VAL 3 1HG2 VAL 3 8.388 3.995 11.485
33 HG23 VAL 3 2HG2 VAL 3 7.058 2.875 11.192
34 H PHE 4 H PHE 4 7.079 1.407 7.603
35 HA PHE 4 HA PHE 4 5.356 -0.119 9.435
36 HD1 PHE 4 HD1 PHE 4 4.033 1.690 6.316
37 HD2 PHE 4 HD2 PHE 4 2.885 -1.741 8.556
38 HE1 PHE 4 HE1 PHE 4 1.720 2.524 6.404
39 HE2 PHE 4 HE2 PHE 4 0.571 -0.915 8.652
40 HZ PHE 4 HZ PHE 4 -0.014 1.226 7.573
41 HB2 PHE 4 2HB PHE 4 5.451 -0.292 6.433
42 HB3 PHE 4 1HB PHE 4 4.979 -1.682 7.401
43 HA PRO 5 HA PRO 5 9.457 -2.031 9.760
44 HB2 PRO 5 2HB PRO 5 8.285 -3.256 12.153
45 HB3 PRO 5 1HB PRO 5 9.686 -2.190 12.012
46 HG2 PRO 5 2HG PRO 5 7.373 -1.378 13.137
47 HG3 PRO 5 1HG PRO 5 8.415 -0.276 12.218
48 HD2 PRO 5 2HD PRO 5 5.904 -1.669 11.360
49 HD3 PRO 5 1HD PRO 5 6.422 0.005 11.059
50 H VAL 6 H VAL 6 6.327 -3.328 9.464
51 HA VAL 6 HA VAL 6 7.438 -5.959 8.766
52 HB VAL 6 HB VAL 6 6.082 -6.007 10.873
53 HG11 VAL 6 1HG1 VAL 6 4.464 -4.286 10.369
54 HG12 VAL 6 2HG1 VAL 6 3.637 -5.806 10.710
55 HG13 VAL 6 3HG1 VAL 6 3.807 -5.250 9.044
56 HG21 VAL 6 3HG2 VAL 6 6.334 -8.017 9.531
57 HG22 VAL 6 1HG2 VAL 6 4.936 -7.561 8.555
58 HG23 VAL 6 2HG2 VAL 6 4.731 -7.957 10.262
59 H TYR 7 H TYR 7 6.200 -7.057 7.036
60 HA TYR 7 HA TYR 7 5.428 -5.151 5.019
61 HD1 TYR 7 HD1 TYR 7 5.540 -4.967 2.969
62 HD2 TYR 7 HD2 TYR 7 5.019 -9.191 2.812
63 HE1 TYR 7 HE1 TYR 7 4.890 -4.794 0.608
64 HE2 TYR 7 HE2 TYR 7 4.364 -9.024 0.448
65 HH TYR 7 HH TYR 7 3.459 -7.354 -1.104
66 HB2 TYR 7 2HB TYR 7 6.833 -7.156 4.536
67 HB3 TYR 7 1HB TYR 7 5.441 -8.173 4.874
68 H ALA 8 H ALA 8 3.776 -8.224 5.482
69 HA ALA 8 HA ALA 8 1.587 -8.793 5.630
70 HB1 ALA 8 3HB ALA 8 1.933 -7.964 7.901
71 HB2 ALA 8 1HB ALA 8 0.287 -7.664 7.348
72 HB3 ALA 8 2HB ALA 8 1.456 -6.345 7.386
73 HA PRO 9 HA PRO 9 0.639 -6.027 2.026
74 HB2 PRO 9 2HB PRO 9 -0.988 -8.482 1.533
75 HB3 PRO 9 1HB PRO 9 -0.026 -7.530 0.404
76 HG2 PRO 9 2HG PRO 9 0.889 -9.839 1.317
77 HG3 PRO 9 1HG PRO 9 1.980 -8.452 1.136
78 HD2 PRO 9 2HD PRO 9 0.790 -9.620 3.610
79 HD3 PRO 9 1HD PRO 9 2.377 -8.865 3.367
80 H LYS 10 H LYS 10 -1.815 -8.155 3.464
81 HA LYS 10 HA LYS 10 -3.975 -6.507 2.748
82 HB2 LYS 10 2HB LYS 10 -5.314 -7.948 4.263
83 HB3 LYS 10 1HB LYS 10 -4.353 -8.839 3.093
84 HG2 LYS 10 2HG LYS 10 -2.661 -9.227 4.876
85 HG3 LYS 10 1HG LYS 10 -3.771 -8.474 6.025
86 HD2 LYS 10 2HD LYS 10 -4.047 -10.854 6.157
87 HD3 LYS 10 1HD LYS 10 -5.479 -10.173 5.380
88 HE2 LYS 10 2HE LYS 10 -4.420 -10.711 3.173
89 HE3 LYS 10 1HE LYS 10 -3.158 -11.569 4.054
90 HZ1 LYS 10 3HZ LYS 10 -6.051 -12.216 3.968
91 HZ2 LYS 10 1HZ LYS 10 -4.961 -12.956 5.040
92 HZ3 LYS 10 2HZ LYS 10 -4.769 -13.145 3.365
93 H LEU 11 H LEU 11 -1.929 -6.483 5.583
94 HA LEU 11 HA LEU 11 -3.715 -4.916 7.176
95 HG LEU 11 HG LEU 11 -3.163 -6.078 9.245
96 HB2 LEU 11 2HB LEU 11 -0.812 -5.628 7.402
97 HB3 LEU 11 1HB LEU 11 -1.496 -4.392 8.437
98 HD11 LEU 11 1HD1 LEU 11 -3.088 -7.634 7.380
99 HD12 LEU 11 2HD1 LEU 11 -2.680 -8.446 8.892
100 HD13 LEU 11 3HD1 LEU 11 -1.408 -8.016 7.751
101 HD21 LEU 11 3HD2 LEU 11 -1.152 -5.506 10.510
102 HD22 LEU 11 1HD2 LEU 11 -0.266 -6.778 9.668
103 HD23 LEU 11 2HD2 LEU 11 -1.610 -7.194 10.733
104 H ILE 12 H ILE 12 -1.054 -4.224 4.984
105 HA ILE 12 HA ILE 12 -0.860 -1.463 5.409
106 HB ILE 12 HB ILE 12 -0.417 -2.981 2.830
107 HG12 ILE 12 2HG1 ILE 12 1.547 -2.123 4.966
108 HG13 ILE 12 1HG1 ILE 12 0.969 -3.769 4.725
109 HG21 ILE 12 1HG2 ILE 12 -0.707 -0.573 2.470
110 HG22 ILE 12 2HG2 ILE 12 0.950 -1.083 2.152
111 HG23 ILE 12 3HG2 ILE 12 0.558 -0.246 3.653
112 HD11 ILE 12 3HD1 ILE 12 2.563 -2.154 2.745
113 HD12 ILE 12 1HD1 ILE 12 2.003 -3.812 2.518
114 HD13 ILE 12 2HD1 ILE 12 3.184 -3.445 3.774
115 H VAL 13 H VAL 13 -2.722 -3.248 2.959
116 HA VAL 13 HA VAL 13 -3.987 -1.017 1.817
117 HB VAL 13 HB VAL 13 -4.915 -3.899 1.905
118 HG11 VAL 13 1HG1 VAL 13 -6.297 -3.347 -0.024
119 HG12 VAL 13 2HG1 VAL 13 -5.780 -1.664 0.071
120 HG13 VAL 13 3HG1 VAL 13 -6.752 -2.361 1.368
121 HG21 VAL 13 3HG2 VAL 13 -3.934 -4.019 -0.347
122 HG22 VAL 13 1HG2 VAL 13 -2.725 -3.640 0.881
123 HG23 VAL 13 2HG2 VAL 13 -3.347 -2.366 -0.168
124 H LYS 14 H LYS 14 -5.034 -3.233 4.383
125 HA LYS 14 HA LYS 14 -7.633 -2.263 4.719
126 HB2 LYS 14 2HB LYS 14 -6.710 -4.360 5.711
127 HB3 LYS 14 1HB LYS 14 -5.816 -3.381 6.863
128 HG2 LYS 14 2HG LYS 14 -7.936 -2.508 7.740
129 HG3 LYS 14 1HG LYS 14 -8.811 -3.542 6.608
130 HD2 LYS 14 2HD LYS 14 -7.676 -5.510 7.641
131 HD3 LYS 14 1HD LYS 14 -6.996 -4.418 8.850
132 HE2 LYS 14 2HE LYS 14 -8.979 -5.508 9.724
133 HE3 LYS 14 1HE LYS 14 -9.270 -3.780 9.528
134 HZ1 LYS 14 3HZ LYS 14 -10.420 -4.251 7.449
135 HZ2 LYS 14 1HZ LYS 14 -11.143 -5.079 8.739
136 HZ3 LYS 14 2HZ LYS 14 -10.146 -5.915 7.651
137 H HIS 15 H HIS 15 -4.571 -1.155 6.047
138 HA HIS 15 HA HIS 15 -5.883 0.775 7.773
139 HD1 HIS 15 HD1 HIS 15 -1.695 1.032 9.701
140 HD2 HIS 15 HD2 HIS 15 -5.625 2.322 9.327
141 HE1 HIS 15 HE1 HIS 15 -2.066 2.627 11.608
142 HE2 HIS 15 HE2 HIS 15 -4.507 3.241 11.472
143 HB2 HIS 15 2HB HIS 15 -3.700 -0.556 8.248
144 HB3 HIS 15 1HB HIS 15 -2.925 0.675 7.258
145 H ALA 16 H ALA 16 -4.569 0.648 4.599
146 HA ALA 16 HA ALA 16 -3.966 3.405 4.255
147 HB1 ALA 16 3HB ALA 16 -3.987 2.925 1.857
148 HB2 ALA 16 1HB ALA 16 -4.715 1.348 2.175
149 HB3 ALA 16 2HB ALA 16 -3.083 1.699 2.744
150 H ARG 17 H ARG 17 -6.882 1.654 4.433
151 HA ARG 17 HA ARG 17 -8.627 3.229 2.931
152 HE ARG 17 HE ARG 17 -13.234 2.707 5.396
153 HB2 ARG 17 2HB ARG 17 -9.311 1.118 3.879
154 HB3 ARG 17 1HB ARG 17 -9.051 1.715 5.509
155 HG2 ARG 17 2HG ARG 17 -10.906 3.246 5.287
156 HG3 ARG 17 1HG ARG 17 -11.134 2.759 3.605
157 HD2 ARG 17 2HD ARG 17 -11.728 0.534 4.269
158 HD3 ARG 17 1HD ARG 17 -11.304 0.870 5.946
159 HH11 ARG 17 1HH1 ARG 17 -13.036 -0.777 5.063
160 HH12 ARG 17 2HH1 ARG 17 -14.726 -1.033 5.373
161 HH21 ARG 17 1HH2 ARG 17 -15.466 2.363 5.805
162 HH22 ARG 17 2HH2 ARG 17 -16.102 0.740 5.775
163 H ILE 18 H ILE 18 -7.108 3.825 6.008
164 HA ILE 18 HA ILE 18 -8.788 6.186 6.480
165 HB ILE 18 HB ILE 18 -6.703 4.982 8.311
166 HG12 ILE 18 2HG1 ILE 18 -9.705 4.588 8.365
167 HG13 ILE 18 1HG1 ILE 18 -8.550 3.387 7.795
168 HG21 ILE 18 1HG2 ILE 18 -7.887 6.255 10.057
169 HG22 ILE 18 2HG2 ILE 18 -8.928 6.951 8.815
170 HG23 ILE 18 3HG2 ILE 18 -7.200 7.297 8.809
171 HD11 ILE 18 3HD1 ILE 18 -9.260 2.886 10.046
172 HD12 ILE 18 1HD1 ILE 18 -8.755 4.485 10.591
173 HD13 ILE 18 2HD1 ILE 18 -7.552 3.322 10.036
174 H PHE 19 H PHE 19 -5.559 5.202 5.675
175 HA PHE 19 HA PHE 19 -4.518 7.919 5.999
176 HD1 PHE 19 HD2 PHE 19 -4.318 4.868 8.008
177 HD2 PHE 19 HD1 PHE 19 -1.546 8.022 7.316
178 HE1 PHE 19 HE2 PHE 19 -4.015 5.126 10.434
179 HE2 PHE 19 HE1 PHE 19 -1.233 8.285 9.745
180 HZ PHE 19 HZ PHE 19 -2.471 6.839 11.308
181 HB2 PHE 19 2HB PHE 19 -3.199 5.226 5.792
182 HB3 PHE 19 1HB PHE 19 -2.284 6.706 5.523
183 H LEU 20 H LEU 20 -6.160 6.584 3.758
184 HA LEU 20 HA LEU 20 -5.135 5.939 1.463
185 HG LEU 20 HG LEU 20 -7.367 8.349 3.046
186 HB2 LEU 20 2HB LEU 20 -6.929 7.248 0.296
187 HB3 LEU 20 1HB LEU 20 -7.441 6.181 1.584
188 HD11 LEU 20 1HD1 LEU 20 -7.824 10.387 1.904
189 HD12 LEU 20 2HD1 LEU 20 -7.855 9.573 0.343
190 HD13 LEU 20 3HD1 LEU 20 -6.336 9.721 1.227
191 HD21 LEU 20 3HD2 LEU 20 -9.364 7.075 2.602
192 HD22 LEU 20 1HD2 LEU 20 -9.504 7.802 1.002
193 HD23 LEU 20 2HD2 LEU 20 -9.704 8.798 2.442
194 H THR 21 H THR 21 -4.803 9.312 2.524
195 HA THR 21 HA THR 21 -3.245 9.739 0.073
196 HB THR 21 HB THR 21 -5.230 11.192 0.220
197 HG1 THR 21 HG1 THR 21 -3.935 12.403 -0.886
198 HG21 THR 21 3HG2 THR 21 -5.390 11.428 2.653
199 HG22 THR 21 1HG2 THR 21 -5.347 13.001 1.854
200 HG23 THR 21 2HG2 THR 21 -3.906 12.380 2.657
201 H GLY 22 H GLY 22 -1.141 9.561 0.441
202 HA2 GLY 22 2HA GLY 22 0.403 11.231 1.931
203 HA3 GLY 22 1HA GLY 22 -0.043 9.980 3.076
204 H VAL 23 H VAL 23 1.873 9.013 3.374
205 HA VAL 23 HA VAL 23 2.968 7.454 1.204
206 HB VAL 23 HB VAL 23 4.121 9.602 0.878
207 HG11 VAL 23 1HG1 VAL 23 5.130 9.226 3.695
208 HG12 VAL 23 2HG1 VAL 23 3.992 10.458 3.153
209 HG13 VAL 23 3HG1 VAL 23 5.655 10.478 2.568
210 HG21 VAL 23 3HG2 VAL 23 5.920 7.458 2.001
211 HG22 VAL 23 1HG2 VAL 23 6.432 8.793 0.968
212 HG23 VAL 23 2HG2 VAL 23 5.329 7.566 0.343
213 H ILE 24 H ILE 24 4.001 5.644 1.926
214 HA ILE 24 HA ILE 24 4.343 5.397 4.846
215 HB ILE 24 HB ILE 24 3.864 2.982 4.609
216 HG12 ILE 24 2HG1 ILE 24 3.063 3.736 1.788
217 HG13 ILE 24 1HG1 ILE 24 4.433 2.726 2.237
218 HG21 ILE 24 1HG2 ILE 24 2.111 4.501 5.320
219 HG22 ILE 24 2HG2 ILE 24 1.447 3.194 4.340
220 HG23 ILE 24 3HG2 ILE 24 1.666 4.797 3.639
221 HD11 ILE 24 3HD1 ILE 24 2.905 1.062 3.149
222 HD12 ILE 24 1HD1 ILE 24 2.571 1.393 1.450
223 HD13 ILE 24 2HD1 ILE 24 1.533 2.077 2.701
224 H TRP 25 H TRP 25 6.078 4.105 5.571
225 HA TRP 25 HA TRP 25 8.106 3.512 3.519
226 HD1 TRP 25 HD1 TRP 25 7.072 6.503 4.538
227 HE1 TRP 25 HE1 TRP 25 8.226 8.565 3.504
228 HE3 TRP 25 HE3 TRP 25 11.919 4.894 4.734
229 HZ2 TRP 25 HZ2 TRP 25 10.849 9.382 2.847
230 HZ3 TRP 25 HZ3 TRP 25 13.689 6.371 3.876
231 HH2 TRP 25 HH2 TRP 25 13.166 8.565 2.952
232 HB2 TRP 25 2HB TRP 25 8.513 4.565 6.320
233 HB3 TRP 25 1HB TRP 25 9.814 3.886 5.347
234 H VAL 26 H VAL 26 7.051 1.470 3.413
235 HA VAL 26 HA VAL 26 7.149 -0.347 5.622
236 HB VAL 26 HB VAL 26 7.186 -1.230 2.760
237 HG11 VAL 26 1HG1 VAL 26 5.811 -3.068 3.601
238 HG12 VAL 26 2HG1 VAL 26 5.892 -2.372 5.220
239 HG13 VAL 26 3HG1 VAL 26 7.358 -2.961 4.440
240 HG21 VAL 26 3HG2 VAL 26 5.515 0.531 2.872
241 HG22 VAL 26 1HG2 VAL 26 4.778 -0.243 4.276
242 HG23 VAL 26 2HG2 VAL 26 4.739 -1.045 2.705
243 H LYS 27 H LYS 27 8.645 -1.914 6.072
244 HA LYS 27 HA LYS 27 11.341 -1.220 5.381
245 HB2 LYS 27 2HB LYS 27 10.017 -2.659 7.483
246 HB3 LYS 27 1HB LYS 27 11.338 -3.630 6.847
247 HG2 LYS 27 2HG LYS 27 11.960 -2.174 8.757
248 HG3 LYS 27 1HG LYS 27 12.920 -1.911 7.302
249 HD2 LYS 27 2HD LYS 27 11.478 0.018 6.746
250 HD3 LYS 27 1HD LYS 27 10.616 -0.221 8.267
251 HE2 LYS 27 2HE LYS 27 13.581 0.273 8.063
252 HE3 LYS 27 1HE LYS 27 12.387 1.542 8.329
253 HZ1 LYS 27 3HZ LYS 27 11.780 0.603 10.393
254 HZ2 LYS 27 1HZ LYS 27 13.473 0.662 10.377
255 HZ3 LYS 27 2HZ LYS 27 12.672 -0.811 10.116
256 H ASP 28 H ASP 28 9.076 -3.297 4.018
257 HA ASP 28 HA ASP 28 11.088 -5.145 3.002
258 HB2 ASP 28 2HB ASP 28 8.975 -6.100 3.784
259 HB3 ASP 28 1HB ASP 28 8.089 -5.123 2.617
260 H LEU 29 H LEU 29 8.920 -2.608 1.881
261 HA LEU 29 HA LEU 29 9.948 -2.970 -0.841
262 HG LEU 29 HG LEU 29 7.100 -3.860 0.129
263 HB2 LEU 29 2HB LEU 29 7.530 -1.459 0.142
264 HB3 LEU 29 1HB LEU 29 8.050 -1.523 -1.530
265 HD11 LEU 29 1HD1 LEU 29 5.223 -3.896 -1.423
266 HD12 LEU 29 2HD1 LEU 29 5.861 -2.469 -2.239
267 HD13 LEU 29 3HD1 LEU 29 5.310 -2.357 -0.567
268 HD21 LEU 29 3HD2 LEU 29 7.284 -5.152 -1.942
269 HD22 LEU 29 1HD2 LEU 29 8.853 -4.544 -1.413
270 HD23 LEU 29 2HD2 LEU 29 8.006 -3.757 -2.744
271 H GLY 30 H GLY 30 9.132 -0.335 1.418
272 HA2 GLY 30 2HA GLY 30 11.116 1.192 1.785
273 HA3 GLY 30 1HA GLY 30 11.131 1.318 0.031
274 H ARG 31 H ARG 31 10.695 3.453 -0.149
275 HA ARG 31 HA ARG 31 8.557 4.705 1.319
276 HE ARG 31 HE ARG 31 8.321 9.352 -1.260
277 HB2 ARG 31 2HB ARG 31 10.537 5.992 0.817
278 HB3 ARG 31 1HB ARG 31 10.366 5.674 -0.902
279 HG2 ARG 31 2HG ARG 31 8.340 7.008 -0.967
280 HG3 ARG 31 1HG ARG 31 8.455 7.289 0.772
281 HD2 ARG 31 2HD ARG 31 10.485 8.518 0.511
282 HD3 ARG 31 1HD ARG 31 10.602 8.068 -1.189
283 HH11 ARG 31 1HH1 ARG 31 11.236 10.223 0.485
284 HH12 ARG 31 2HH1 ARG 31 10.938 11.933 0.386
285 HH21 ARG 31 1HH2 ARG 31 7.924 11.591 -1.393
286 HH22 ARG 31 2HH2 ARG 31 9.057 12.711 -0.688
287 H LEU 32 H LEU 32 6.495 4.450 0.785
288 HA LEU 32 HA LEU 32 5.802 4.068 -2.060
289 HG LEU 32 HG LEU 32 6.521 1.605 -0.299
290 HB2 LEU 32 2HB LEU 32 4.541 2.856 0.398
291 HB3 LEU 32 1HB LEU 32 3.868 2.722 -1.211
292 HD11 LEU 32 1HD1 LEU 32 4.612 0.402 0.610
293 HD12 LEU 32 2HD1 LEU 32 5.442 -0.563 -0.610
294 HD13 LEU 32 3HD1 LEU 32 3.926 0.246 -1.007
295 HD21 LEU 32 3HD2 LEU 32 6.571 0.516 -2.497
296 HD22 LEU 32 1HD2 LEU 32 6.619 2.274 -2.628
297 HD23 LEU 32 2HD2 LEU 32 5.121 1.407 -2.962
298 H GLU 33 H GLU 33 4.716 5.777 -2.817
299 HA GLU 33 HA GLU 33 3.118 7.354 -0.950
300 HB2 GLU 33 2HB GLU 33 4.735 8.528 -2.449
301 HB3 GLU 33 1HB GLU 33 3.791 7.980 -3.830
302 HG2 GLU 33 2HG GLU 33 1.863 9.217 -3.040
303 HG3 GLU 33 1HG GLU 33 2.753 9.723 -1.606
304 H PHE 34 H PHE 34 0.953 7.704 -1.226
305 HA PHE 34 HA PHE 34 -0.472 6.425 -3.401
306 HD1 PHE 34 HD1 PHE 34 1.210 5.931 -0.021
307 HD2 PHE 34 HD2 PHE 34 -2.960 5.129 0.218
308 HE1 PHE 34 HE1 PHE 34 1.324 6.102 2.422
309 HE2 PHE 34 HE2 PHE 34 -2.849 5.296 2.669
310 HZ PHE 34 HZ PHE 34 -0.700 5.784 3.773
311 HB2 PHE 34 2HB PHE 34 -1.970 5.184 -1.838
312 HB3 PHE 34 1HB PHE 34 -0.325 4.569 -1.868
313 H GLU 35 H GLU 35 -2.370 7.434 -3.851
314 HA GLU 35 HA GLU 35 -3.057 9.671 -2.067
315 HB2 GLU 35 2HB GLU 35 -1.806 10.019 -4.441
316 HB3 GLU 35 1HB GLU 35 -3.483 10.058 -4.968
317 HG2 GLU 35 2HG GLU 35 -2.387 11.772 -2.757
318 HG3 GLU 35 1HG GLU 35 -2.478 12.283 -4.442
319 H LYS 36 H LYS 36 -4.964 9.329 -1.284
320 HA LYS 36 HA LYS 36 -7.085 8.681 -0.974
321 HB2 LYS 36 2HB LYS 36 -7.229 9.561 -3.849
322 HB3 LYS 36 1HB LYS 36 -8.654 9.085 -2.930
323 HG2 LYS 36 2HG LYS 36 -7.962 10.813 -1.218
324 HG3 LYS 36 1HG LYS 36 -6.799 11.389 -2.406
325 HD2 LYS 36 2HD LYS 36 -9.715 11.141 -3.065
326 HD3 LYS 36 1HD LYS 36 -9.081 12.563 -2.242
327 HE2 LYS 36 2HE LYS 36 -9.073 13.162 -4.495
328 HE3 LYS 36 1HE LYS 36 -7.404 12.703 -4.170
329 HZ1 LYS 36 3HZ LYS 36 -9.339 10.760 -5.263
330 HZ2 LYS 36 1HZ LYS 36 -7.644 10.721 -5.331
331 HZ3 LYS 36 2HZ LYS 36 -8.506 11.832 -6.278
332 H GLY 37 H GLY 37 -5.445 6.576 -1.222
333 HA2 GLY 37 2HA GLY 37 -6.188 4.336 -0.942
334 HA3 GLY 37 1HA GLY 37 -7.398 4.609 -2.184
335 H ARG 38 H ARG 38 -5.463 5.838 -4.028
336 HA ARG 38 HA ARG 38 -4.556 3.299 -5.124
337 HE ARG 38 HE ARG 38 -7.402 3.461 -9.077
338 HB2 ARG 38 2HB ARG 38 -4.854 6.069 -6.268
339 HB3 ARG 38 1HB ARG 38 -3.954 4.822 -7.121
340 HG2 ARG 38 2HG ARG 38 -5.936 3.399 -7.147
341 HG3 ARG 38 1HG ARG 38 -6.841 4.640 -6.275
342 HD2 ARG 38 2HD ARG 38 -6.694 6.150 -8.102
343 HD3 ARG 38 1HD ARG 38 -5.511 5.137 -8.928
344 HH11 ARG 38 1HH1 ARG 38 -8.015 6.903 -8.866
345 HH12 ARG 38 2HH1 ARG 38 -9.447 6.843 -9.850
346 HH21 ARG 38 1HH2 ARG 38 -9.298 3.366 -10.367
347 HH22 ARG 38 2HH2 ARG 38 -10.187 4.830 -10.693
348 H PHE 39 H PHE 39 -2.828 2.593 -4.410
349 HA PHE 39 HA PHE 39 -0.507 3.935 -3.632
350 HD1 PHE 39 HD1 PHE 39 1.373 2.099 -2.138
351 HD2 PHE 39 HD2 PHE 39 -2.707 1.005 -2.634
352 HE1 PHE 39 HE1 PHE 39 1.196 1.685 0.279
353 HE2 PHE 39 HE2 PHE 39 -2.892 0.583 -0.216
354 HZ PHE 39 HZ PHE 39 -0.938 0.924 1.243
355 HB2 PHE 39 2HB PHE 39 -1.265 1.201 -4.524
356 HB3 PHE 39 1HB PHE 39 0.454 1.577 -4.344
357 H LEU 40 H LEU 40 0.995 4.964 -4.791
358 HA LEU 40 HA LEU 40 0.728 4.914 -7.703
359 HG LEU 40 HG LEU 40 -0.193 7.047 -5.571
360 HB2 LEU 40 2HB LEU 40 2.249 6.818 -5.924
361 HB3 LEU 40 1HB LEU 40 1.998 6.998 -7.649
362 HD11 LEU 40 1HD1 LEU 40 1.310 8.987 -5.433
363 HD12 LEU 40 2HD1 LEU 40 -0.299 9.430 -6.005
364 HD13 LEU 40 3HD1 LEU 40 1.040 9.302 -7.147
365 HD21 LEU 40 3HD2 LEU 40 -1.591 7.838 -7.422
366 HD22 LEU 40 1HD2 LEU 40 -0.955 6.222 -7.735
367 HD23 LEU 40 2HD2 LEU 40 -0.238 7.621 -8.532
368 H LEU 41 H LEU 41 2.555 4.779 -9.064
369 HA LEU 41 HA LEU 41 4.742 3.187 -7.986
370 HG LEU 41 HG LEU 41 3.830 1.415 -11.147
371 HB2 LEU 41 2HB LEU 41 3.847 3.847 -10.787
372 HB3 LEU 41 1HB LEU 41 5.395 3.096 -10.471
373 HD11 LEU 41 1HD1 LEU 41 5.442 0.751 -9.475
374 HD12 LEU 41 2HD1 LEU 41 3.918 -0.104 -9.230
375 HD13 LEU 41 3HD1 LEU 41 4.349 1.253 -8.187
376 HD21 LEU 41 3HD2 LEU 41 1.754 2.562 -10.569
377 HD22 LEU 41 1HD2 LEU 41 2.078 2.295 -8.857
378 HD23 LEU 41 2HD2 LEU 41 1.786 0.921 -9.923
379 HA PRO 42 HA PRO 42 7.080 7.047 -7.635
380 HB2 PRO 42 2HB PRO 42 9.202 5.068 -6.993
381 HB3 PRO 42 1HB PRO 42 8.691 6.500 -6.093
382 HG2 PRO 42 2HG PRO 42 8.061 4.043 -5.255
383 HG3 PRO 42 1HG PRO 42 6.929 5.398 -5.080
384 HD2 PRO 42 2HD PRO 42 6.914 3.158 -7.058
385 HD3 PRO 42 1HD PRO 42 5.552 3.959 -6.252
386 H ARG 43 H ARG 43 8.330 4.063 -9.045
387 HA ARG 43 HA ARG 43 8.806 5.235 -11.580
388 HE ARG 43 HE ARG 43 12.392 6.894 -10.042
389 HB2 ARG 43 2HB ARG 43 11.300 4.732 -11.577
390 HB3 ARG 43 1HB ARG 43 10.802 6.169 -10.696
391 HG2 ARG 43 2HG ARG 43 11.030 5.010 -8.596
392 HG3 ARG 43 1HG ARG 43 11.388 3.498 -9.435
393 HD2 ARG 43 2HD ARG 43 13.395 4.700 -8.545
394 HD3 ARG 43 1HD ARG 43 13.444 4.354 -10.272
395 HH11 ARG 43 1HH1 ARG 43 15.369 5.300 -9.134
396 HH12 ARG 43 2HH1 ARG 43 16.336 6.732 -9.313
397 HH21 ARG 43 1HH2 ARG 43 13.664 8.776 -10.317
398 HH22 ARG 43 2HH2 ARG 43 15.376 8.708 -10.005
399 H LYS 44 H LYS 44 10.654 3.381 -12.572
400 HA LYS 44 HA LYS 44 9.160 1.026 -12.835
401 HB2 LYS 44 2HB LYS 44 10.769 1.500 -14.514
402 HB3 LYS 44 1HB LYS 44 12.065 1.656 -13.337
403 HG2 LYS 44 2HG LYS 44 11.867 -0.753 -12.855
404 HG3 LYS 44 1HG LYS 44 10.650 -0.879 -14.126
405 HD2 LYS 44 2HD LYS 44 12.201 -0.410 -15.812
406 HD3 LYS 44 1HD LYS 44 13.373 0.255 -14.670
407 HE2 LYS 44 2HE LYS 44 12.527 -2.636 -14.819
408 HE3 LYS 44 1HE LYS 44 14.017 -1.976 -15.495
409 HZ1 LYS 44 3HZ LYS 44 14.396 -2.993 -13.338
410 HZ2 LYS 44 1HZ LYS 44 13.274 -1.947 -12.615
411 HZ3 LYS 44 2HZ LYS 44 14.707 -1.328 -13.276
412 H SER 45 H SER 45 12.143 1.594 -10.998
413 HA SER 45 HA SER 45 13.012 0.662 -9.129
414 HG SER 45 HG SER 45 11.048 1.837 -7.045
415 HB2 SER 45 2HB SER 45 10.134 -0.121 -8.606
416 HB3 SER 45 1HB SER 45 11.434 -0.184 -7.418
417 H LEU 46 H LEU 46 12.475 -1.664 -7.740
418 HA LEU 46 HA LEU 46 13.324 -3.688 -9.609
419 HG LEU 46 HG LEU 46 15.379 -3.984 -8.294
420 HB2 LEU 46 2HB LEU 46 12.885 -3.690 -6.628
421 HB3 LEU 46 1HB LEU 46 13.268 -5.152 -7.513
422 HD11 LEU 46 1HD1 LEU 46 16.190 -2.143 -6.891
423 HD12 LEU 46 2HD1 LEU 46 14.613 -2.062 -6.105
424 HD13 LEU 46 3HD1 LEU 46 14.762 -1.692 -7.823
425 HD21 LEU 46 3HD2 LEU 46 16.553 -4.431 -6.182
426 HD22 LEU 46 1HD2 LEU 46 15.410 -5.708 -6.599
427 HD23 LEU 46 2HD2 LEU 46 14.998 -4.526 -5.356
428 HA PRO 47 HA PRO 47 9.421 -5.489 -10.679
429 HB2 PRO 47 2HB PRO 47 10.833 -8.047 -10.045
430 HB3 PRO 47 1HB PRO 47 9.885 -7.610 -11.472
431 HG2 PRO 47 2HG PRO 47 12.534 -7.635 -11.583
432 HG3 PRO 47 1HG PRO 47 11.611 -6.354 -12.392
433 HD2 PRO 47 2HD PRO 47 13.187 -6.248 -9.864
434 HD3 PRO 47 1HD PRO 47 12.951 -4.998 -11.102
435 H LYS 48 H LYS 48 11.126 -6.808 -7.849
436 HA LYS 48 HA LYS 48 9.069 -8.025 -6.483
437 HB2 LYS 48 2HB LYS 48 11.262 -8.159 -5.584
438 HB3 LYS 48 1HB LYS 48 11.414 -6.412 -5.491
439 HG2 LYS 48 2HG LYS 48 9.616 -6.431 -3.751
440 HG3 LYS 48 1HG LYS 48 9.710 -8.193 -3.767
441 HD2 LYS 48 2HD LYS 48 11.960 -8.165 -2.996
442 HD3 LYS 48 1HD LYS 48 12.098 -6.428 -3.269
443 HE2 LYS 48 2HE LYS 48 11.846 -6.871 -0.909
444 HE3 LYS 48 1HE LYS 48 10.422 -6.035 -1.522
445 HZ1 LYS 48 3HZ LYS 48 10.638 -8.953 -1.000
446 HZ2 LYS 48 1HZ LYS 48 9.265 -8.161 -1.605
447 HZ3 LYS 48 2HZ LYS 48 9.809 -7.825 -0.038
448 H VAL 49 H VAL 49 9.947 -4.590 -6.401
449 HA VAL 49 HA VAL 49 7.879 -3.919 -4.540
450 HB VAL 49 HB VAL 49 9.513 -2.068 -6.289
451 HG11 VAL 49 1HG1 VAL 49 8.995 -0.379 -4.574
452 HG12 VAL 49 2HG1 VAL 49 7.958 -1.548 -3.755
453 HG13 VAL 49 3HG1 VAL 49 7.545 -0.984 -5.374
454 HG21 VAL 49 3HG2 VAL 49 10.978 -1.809 -4.331
455 HG22 VAL 49 1HG2 VAL 49 10.968 -3.467 -4.931
456 HG23 VAL 49 2HG2 VAL 49 10.051 -3.049 -3.484
457 H LYS 50 H LYS 50 8.341 -3.562 -8.025
458 HA LYS 50 HA LYS 50 6.072 -1.988 -8.526
459 HB2 LYS 50 2HB LYS 50 8.028 -2.415 -10.078
460 HB3 LYS 50 1HB LYS 50 7.292 -3.968 -10.451
461 HG2 LYS 50 2HG LYS 50 5.326 -2.862 -11.336
462 HG3 LYS 50 1HG LYS 50 5.989 -1.288 -10.889
463 HD2 LYS 50 2HD LYS 50 7.918 -1.741 -12.390
464 HD3 LYS 50 1HD LYS 50 7.114 -3.223 -12.909
465 HE2 LYS 50 2HE LYS 50 6.057 -0.416 -13.218
466 HE3 LYS 50 1HE LYS 50 6.733 -1.416 -14.499
467 HZ1 LYS 50 3HZ LYS 50 4.394 -1.552 -14.662
468 HZ2 LYS 50 1HZ LYS 50 4.214 -1.853 -13.005
469 HZ3 LYS 50 2HZ LYS 50 4.905 -3.034 -14.006
470 H GLN 51 H GLN 51 6.505 -5.529 -8.688
471 HA GLN 51 HA GLN 51 3.842 -6.041 -9.510
472 HB2 GLN 51 2HB GLN 51 5.880 -7.837 -8.193
473 HB3 GLN 51 1HB GLN 51 4.351 -8.388 -8.852
474 HG2 GLN 51 2HG GLN 51 6.606 -7.122 -10.383
475 HG3 GLN 51 1HG GLN 51 6.125 -8.818 -10.416
476 HE21 GLN 51 1HE2 GLN 51 4.239 -9.413 -11.508
477 HE22 GLN 51 2HE2 GLN 51 3.470 -8.353 -12.644
478 H ALA 52 H ALA 52 5.424 -5.812 -6.379
479 HA ALA 52 HA ALA 52 3.381 -6.844 -4.771
480 HB1 ALA 52 3HB ALA 52 5.315 -4.637 -4.082
481 HB2 ALA 52 1HB ALA 52 5.650 -6.364 -3.958
482 HB3 ALA 52 2HB ALA 52 4.410 -5.630 -2.941
483 H ILE 53 H ILE 53 3.993 -3.509 -5.842
484 HA ILE 53 HA ILE 53 1.796 -2.331 -4.540
485 HB ILE 53 HB ILE 53 3.207 -1.458 -7.071
486 HG12 ILE 53 2HG1 ILE 53 3.557 -0.586 -4.192
487 HG13 ILE 53 1HG1 ILE 53 4.653 -1.644 -5.073
488 HG21 ILE 53 1HG2 ILE 53 0.996 -0.427 -6.886
489 HG22 ILE 53 2HG2 ILE 53 2.278 0.759 -6.636
490 HG23 ILE 53 3HG2 ILE 53 1.386 0.121 -5.255
491 HD11 ILE 53 3HD1 ILE 53 5.510 0.624 -4.950
492 HD12 ILE 53 1HD1 ILE 53 4.055 1.228 -5.742
493 HD13 ILE 53 2HD1 ILE 53 5.161 0.171 -6.618
494 H LEU 54 H LEU 54 2.104 -3.893 -7.686
495 HA LEU 54 HA LEU 54 -0.460 -3.242 -8.661
496 HG LEU 54 HG LEU 54 -0.125 -3.536 -11.128
497 HB2 LEU 54 2HB LEU 54 1.628 -5.225 -9.338
498 HB3 LEU 54 1HB LEU 54 0.000 -5.618 -9.852
499 HD11 LEU 54 1HD1 LEU 54 2.705 -3.088 -10.200
500 HD12 LEU 54 2HD1 LEU 54 1.294 -2.140 -9.729
501 HD13 LEU 54 3HD1 LEU 54 1.851 -2.122 -11.403
502 HD21 LEU 54 3HD2 LEU 54 1.526 -4.092 -12.850
503 HD22 LEU 54 1HD2 LEU 54 0.729 -5.537 -12.226
504 HD23 LEU 54 2HD2 LEU 54 2.366 -5.137 -11.703
505 H GLU 55 H GLU 55 0.719 -6.064 -6.829
506 HA GLU 55 HA GLU 55 -1.820 -7.334 -6.761
507 HB2 GLU 55 2HB GLU 55 0.597 -7.719 -4.991
508 HB3 GLU 55 1HB GLU 55 -0.836 -8.741 -4.956
509 HG2 GLU 55 2HG GLU 55 -0.351 -8.999 -7.509
510 HG3 GLU 55 1HG GLU 55 1.276 -8.504 -7.039
511 H LEU 56 H LEU 56 -0.275 -4.926 -4.744
512 HA LEU 56 HA LEU 56 -2.129 -5.021 -2.614
513 HG LEU 56 HG LEU 56 0.909 -4.503 -2.640
514 HB2 LEU 56 2HB LEU 56 -0.444 -2.748 -3.662
515 HB3 LEU 56 1HB LEU 56 -1.427 -2.635 -2.213
516 HD11 LEU 56 1HD1 LEU 56 0.567 -2.110 -0.842
517 HD12 LEU 56 2HD1 LEU 56 1.584 -2.197 -2.281
518 HD13 LEU 56 3HD1 LEU 56 1.965 -3.185 -0.869
519 HD21 LEU 56 3HD2 LEU 56 -0.821 -5.553 -1.275
520 HD22 LEU 56 1HD2 LEU 56 -0.859 -4.138 -0.222
521 HD23 LEU 56 2HD2 LEU 56 0.590 -5.138 -0.304
522 H ASN 57 H ASN 57 -2.049 -3.131 -5.624
523 HA ASN 57 HA ASN 57 -4.530 -1.829 -5.223
524 HB2 ASN 57 2HB ASN 57 -2.840 -2.376 -7.641
525 HB3 ASN 57 1HB ASN 57 -4.464 -1.727 -7.838
526 HD21 ASN 57 1HD2 ASN 57 -1.239 -1.101 -6.692
527 HD22 ASN 57 2HD2 ASN 57 -1.435 0.608 -6.499
528 H GLU 58 H GLU 58 -3.656 -4.932 -6.591
529 HA GLU 58 HA GLU 58 -6.155 -5.722 -7.593
530 HB2 GLU 58 2HB GLU 58 -3.973 -6.928 -7.884
531 HB3 GLU 58 1HB GLU 58 -4.102 -7.464 -6.220
532 HG2 GLU 58 2HG GLU 58 -4.808 -9.224 -7.683
533 HG3 GLU 58 1HG GLU 58 -6.196 -8.625 -6.778
534 H LEU 59 H LEU 59 -4.663 -6.214 -4.433
535 HA LEU 59 HA LEU 59 -6.832 -7.425 -3.142
536 HG LEU 59 HG LEU 59 -6.529 -6.238 -0.350
537 HB2 LEU 59 2HB LEU 59 -4.505 -7.343 -2.297
538 HB3 LEU 59 1HB LEU 59 -4.713 -5.637 -1.952
539 HD11 LEU 59 1HD1 LEU 59 -7.137 -8.403 -1.303
540 HD12 LEU 59 2HD1 LEU 59 -6.711 -8.550 0.402
541 HD13 LEU 59 3HD1 LEU 59 -5.564 -9.053 -0.840
542 HD21 LEU 59 3HD2 LEU 59 -3.826 -7.475 0.157
543 HD22 LEU 59 1HD2 LEU 59 -5.018 -7.052 1.386
544 HD23 LEU 59 2HD2 LEU 59 -4.267 -5.786 0.416
545 H ILE 60 H ILE 60 -5.978 -4.009 -3.540
546 HA ILE 60 HA ILE 60 -7.948 -2.851 -1.951
547 HB ILE 60 HB ILE 60 -6.813 -1.856 -4.569
548 HG12 ILE 60 2HG1 ILE 60 -6.154 -1.129 -1.707
549 HG13 ILE 60 1HG1 ILE 60 -5.185 -2.180 -2.734
550 HG21 ILE 60 1HG2 ILE 60 -8.424 -0.364 -2.502
551 HG22 ILE 60 2HG2 ILE 60 -8.948 -0.778 -4.135
552 HG23 ILE 60 3HG2 ILE 60 -7.622 0.359 -3.896
553 HD11 ILE 60 3HD1 ILE 60 -4.764 -0.329 -4.250
554 HD12 ILE 60 1HD1 ILE 60 -4.259 0.065 -2.608
555 HD13 ILE 60 2HD1 ILE 60 -5.761 0.728 -3.251
556 H GLU 61 H GLU 61 -8.118 -3.798 -5.381
557 HA GLU 61 HA GLU 61 -10.821 -2.978 -5.690
558 HB2 GLU 61 2HB GLU 61 -9.191 -3.218 -7.564
559 HB3 GLU 61 1HB GLU 61 -9.289 -4.964 -7.375
560 HG2 GLU 61 2HG GLU 61 -11.701 -4.852 -7.850
561 HG3 GLU 61 1HG GLU 61 -11.548 -3.117 -8.114
562 H ALA 62 H ALA 62 -9.380 -5.774 -4.325
563 HA ALA 62 HA ALA 62 -11.678 -7.468 -4.666
564 HB1 ALA 62 3HB ALA 62 -9.437 -8.419 -4.397
565 HB2 ALA 62 1HB ALA 62 -10.540 -8.995 -3.148
566 HB3 ALA 62 2HB ALA 62 -9.351 -7.749 -2.766
567 H GLN 63 H GLN 63 -10.351 -5.487 -2.043
568 HA GLN 63 HA GLN 63 -12.493 -6.098 -0.235
569 HB2 GLN 63 2HB GLN 63 -10.468 -3.854 -0.173
570 HB3 GLN 63 1HB GLN 63 -11.552 -4.277 1.146
571 HG2 GLN 63 2HG GLN 63 -10.489 -6.505 1.249
572 HG3 GLN 63 1HG GLN 63 -9.358 -5.988 0.002
573 HE21 GLN 63 1HE2 GLN 63 -7.590 -6.260 1.343
574 HE22 GLN 63 2HE2 GLN 63 -7.242 -5.181 2.647
575 H ASN 64 H ASN 64 -11.756 -3.509 -2.492
576 HA ASN 64 HA ASN 64 -14.070 -1.950 -1.836
577 HB2 ASN 64 2HB ASN 64 -12.247 -0.750 -2.749
578 HB3 ASN 64 1HB ASN 64 -12.054 -1.887 -4.076
579 HD21 ASN 64 1HD2 ASN 64 -12.124 -0.289 -5.607
580 HD22 ASN 64 2HD2 ASN 64 -13.585 0.523 -6.038
581 H HIS 65 H HIS 65 -13.227 -3.475 -4.924
582 HA HIS 65 HA HIS 65 -14.350 -4.730 -6.413
583 HD1 HIS 65 HD1 HIS 65 -18.484 -5.719 -4.808
584 HD2 HIS 65 HD2 HIS 65 -15.607 -7.278 -7.374
585 HE1 HIS 65 HE1 HIS 65 -19.757 -7.032 -6.536
586 HE2 HIS 65 HE2 HIS 65 -17.980 -8.134 -7.944
587 HB2 HIS 65 2HB HIS 65 -14.916 -6.255 -4.687
588 HB3 HIS 65 1HB HIS 65 -16.168 -5.196 -4.056
589 H GLN 66 H GLN 66 -16.366 -2.426 -4.666
590 HA GLN 66 HA GLN 66 -18.400 -2.281 -6.646
591 HB2 GLN 66 2HB GLN 66 -17.650 -0.259 -4.527
592 HB3 GLN 66 1HB GLN 66 -19.157 -0.295 -5.432
593 HG2 GLN 66 2HG GLN 66 -19.733 -2.430 -4.421
594 HG3 GLN 66 1HG GLN 66 -18.207 -2.430 -3.534
595 HE21 GLN 66 1HE2 GLN 66 -21.360 -1.000 -3.824
596 HE22 GLN 66 2HE2 GLN 66 -21.365 -0.208 -2.288
597 H THR 67 H THR 67 -15.930 0.124 -5.715
598 HA THR 67 HA THR 67 -15.116 1.954 -6.780
599 HB THR 67 HB THR 67 -15.428 0.366 -9.336
600 HG1 THR 67 HG1 THR 67 -13.468 -0.592 -8.814
601 HG21 THR 67 3HG2 THR 67 -14.782 2.714 -9.630
602 HG22 THR 67 1HG2 THR 67 -13.444 1.636 -10.029
603 HG23 THR 67 2HG2 THR 67 -13.454 2.496 -8.489
604 H LYS 68 H LYS 68 -16.836 3.287 -6.326
605 HA LYS 68 HA LYS 68 -19.236 3.252 -7.882
606 HB2 LYS 68 2HB LYS 68 -19.070 3.796 -5.427
607 HB3 LYS 68 1HB LYS 68 -18.341 5.328 -5.882
608 HG2 LYS 68 2HG LYS 68 -20.332 6.077 -6.913
609 HG3 LYS 68 1HG LYS 68 -21.057 4.468 -6.840
610 HD2 LYS 68 2HD LYS 68 -21.100 4.584 -4.404
611 HD3 LYS 68 1HD LYS 68 -20.324 6.167 -4.453
612 HE2 LYS 68 2HE LYS 68 -22.964 5.583 -5.774
613 HE3 LYS 68 1HE LYS 68 -22.826 6.170 -4.116
614 HZ1 LYS 68 3HZ LYS 68 -23.195 7.954 -5.741
615 HZ2 LYS 68 1HZ LYS 68 -21.727 7.566 -6.498
616 HZ3 LYS 68 2HZ LYS 68 -21.737 8.142 -4.901
617 H THR 69 H THR 69 -19.466 4.163 -9.795
618 HA THR 69 HA THR 69 -17.388 5.754 -10.920
619 HB THR 69 HB THR 69 -19.044 5.901 -12.889
620 HG1 THR 69 HG1 THR 69 -20.352 3.909 -11.302
621 HG21 THR 69 3HG2 THR 69 -17.165 4.348 -12.856
622 HG22 THR 69 1HG2 THR 69 -18.589 3.573 -13.549
623 HG23 THR 69 2HG2 THR 69 -18.105 3.207 -11.893
624 H ALA 70 H ALA 70 -17.116 7.806 -10.434
625 HA ALA 70 HA ALA 70 -19.466 9.582 -10.620
626 HB1 ALA 70 3HB ALA 70 -18.780 9.347 -8.264
627 HB2 ALA 70 1HB ALA 70 -18.571 10.990 -8.867
628 HB3 ALA 70 2HB ALA 70 -17.173 9.931 -8.693
629 H LEU 71 H LEU 71 -15.920 9.436 -10.671
630 HA LEU 71 HA LEU 71 -15.898 11.362 -12.887
631 HG LEU 71 HG LEU 71 -16.516 12.699 -10.263
632 HB2 LEU 71 2HB LEU 71 -14.296 11.575 -10.336
633 HB3 LEU 71 1HB LEU 71 -13.921 12.478 -11.790
634 HD11 LEU 71 1HD1 LEU 71 -15.653 14.871 -9.529
635 HD12 LEU 71 2HD1 LEU 71 -14.113 14.519 -10.312
636 HD13 LEU 71 3HD1 LEU 71 -14.651 13.541 -8.947
637 HD21 LEU 71 3HD2 LEU 71 -15.379 14.367 -12.503
638 HD22 LEU 71 1HD2 LEU 71 -16.896 14.660 -11.653
639 HD23 LEU 71 2HD2 LEU 71 -16.709 13.217 -12.650
640 H GLU 72 H GLU 72 -15.545 8.488 -12.710
641 HA GLU 72 HA GLU 72 -12.829 7.743 -12.649
642 HB2 GLU 72 2HB GLU 72 -14.831 6.266 -14.320
643 HB3 GLU 72 1HB GLU 72 -13.517 5.627 -13.343
644 HG2 GLU 72 2HG GLU 72 -16.202 6.609 -12.466
645 HG3 GLU 72 1HG GLU 72 -15.458 5.035 -12.200
646 H HIS 73 H HIS 73 -14.915 8.967 -15.125
647 HA HIS 73 HA HIS 73 -14.414 10.189 -16.970
648 HD1 HIS 73 HD1 HIS 73 -10.923 9.807 -19.102
649 HD2 HIS 73 HD2 HIS 73 -12.953 12.998 -17.375
650 HE1 HIS 73 HE1 HIS 73 -10.774 11.682 -20.766
651 HE2 HIS 73 HE2 HIS 73 -12.102 13.571 -19.749
652 HB2 HIS 73 2HB HIS 73 -12.271 10.788 -15.771
653 HB3 HIS 73 1HB HIS 73 -11.506 9.452 -16.623
654 H HIS 74 H HIS 74 -14.771 9.635 -18.976
655 HA HIS 74 HA HIS 74 -14.676 7.050 -20.004
656 HD1 HIS 74 HD1 HIS 74 -17.294 7.217 -21.744
657 HD2 HIS 74 HD2 HIS 74 -13.837 7.926 -23.940
658 HE1 HIS 74 HE1 HIS 74 -17.566 5.917 -23.873
659 HE2 HIS 74 HE2 HIS 74 -15.386 6.200 -25.091
660 HB2 HIS 74 2HB HIS 74 -15.861 9.184 -20.882
661 HB3 HIS 74 1HB HIS 74 -14.346 9.518 -21.708
Start of MODEL 2
1 HA MET 1 HA MET 1 3.726 8.932 6.284
2 H1 MET 1 1H MET 1 1.451 9.745 6.448
3 H2 MET 1 2H MET 1 2.582 11.000 6.585
4 H3 MET 1 3H MET 1 1.789 10.416 7.967
5 HB2 MET 1 2HB MET 1 3.884 10.042 9.091
6 HB3 MET 1 1HB MET 1 5.026 8.872 8.450
7 HG2 MET 1 2HG MET 1 5.647 10.474 6.693
8 HG3 MET 1 1HG MET 1 4.537 11.648 7.403
9 HE1 MET 1 3HE MET 1 8.209 10.010 9.680
10 HE2 MET 1 1HE MET 1 7.812 9.511 8.035
11 HE3 MET 1 2HE MET 1 6.744 9.079 9.372
12 H ARG 2 H ARG 2 3.319 6.836 6.211
13 HA ARG 2 HA ARG 2 2.276 5.522 8.627
14 HE ARG 2 HE ARG 2 1.945 2.431 9.198
15 HB2 ARG 2 2HB ARG 2 0.458 5.763 6.966
16 HB3 ARG 2 1HB ARG 2 1.444 4.926 5.780
17 HG2 ARG 2 2HG ARG 2 -0.255 3.466 6.734
18 HG3 ARG 2 1HG ARG 2 1.373 2.898 7.108
19 HD2 ARG 2 2HD ARG 2 0.114 4.696 9.088
20 HD3 ARG 2 1HD ARG 2 -0.593 3.090 8.927
21 HH11 ARG 2 1HH1 ARG 2 0.202 4.950 10.894
22 HH12 ARG 2 2HH1 ARG 2 1.036 4.695 12.398
23 HH21 ARG 2 1HH2 ARG 2 3.090 2.125 11.144
24 HH22 ARG 2 2HH2 ARG 2 2.715 3.109 12.534
25 H VAL 3 H VAL 3 3.837 4.202 9.321
26 HA VAL 3 HA VAL 3 5.628 3.006 7.320
27 HB VAL 3 HB VAL 3 6.726 4.516 8.928
28 HG11 VAL 3 1HG1 VAL 3 6.936 3.895 11.283
29 HG12 VAL 3 2HG1 VAL 3 5.831 2.545 11.024
30 HG13 VAL 3 3HG1 VAL 3 5.256 4.202 10.839
31 HG21 VAL 3 3HG2 VAL 3 8.518 2.992 9.645
32 HG22 VAL 3 1HG2 VAL 3 8.026 2.704 7.975
33 HG23 VAL 3 2HG2 VAL 3 7.485 1.616 9.255
34 H PHE 4 H PHE 4 6.046 0.826 7.343
35 HA PHE 4 HA PHE 4 4.601 -0.812 9.314
36 HD1 PHE 4 HD1 PHE 4 2.299 -2.180 9.007
37 HD2 PHE 4 HD2 PHE 4 2.980 0.391 5.690
38 HE1 PHE 4 HE1 PHE 4 -0.048 -1.449 9.097
39 HE2 PHE 4 HE2 PHE 4 0.637 1.127 5.774
40 HZ PHE 4 HZ PHE 4 -0.881 0.207 7.483
41 HB2 PHE 4 2HB PHE 4 4.618 -1.142 6.317
42 HB3 PHE 4 1HB PHE 4 4.238 -2.475 7.400
43 HA PRO 5 HA PRO 5 8.815 -2.373 9.630
44 HB2 PRO 5 2HB PRO 5 7.604 -4.027 11.744
45 HB3 PRO 5 1HB PRO 5 8.940 -2.878 11.850
46 HG2 PRO 5 2HG PRO 5 6.541 -2.344 12.919
47 HG3 PRO 5 1HG PRO 5 7.540 -1.077 12.186
48 HD2 PRO 5 2HD PRO 5 5.163 -2.507 11.050
49 HD3 PRO 5 1HD PRO 5 5.589 -0.784 10.961
50 H VAL 6 H VAL 6 5.823 -4.066 9.215
51 HA VAL 6 HA VAL 6 7.273 -6.362 8.058
52 HB VAL 6 HB VAL 6 4.541 -6.552 9.327
53 HG11 VAL 6 1HG1 VAL 6 6.562 -8.630 8.495
54 HG12 VAL 6 2HG1 VAL 6 5.008 -8.292 7.733
55 HG13 VAL 6 3HG1 VAL 6 5.063 -8.974 9.359
56 HG21 VAL 6 3HG2 VAL 6 7.192 -7.202 10.601
57 HG22 VAL 6 1HG2 VAL 6 5.609 -7.586 11.275
58 HG23 VAL 6 2HG2 VAL 6 6.093 -5.903 11.068
59 H TYR 7 H TYR 7 6.588 -6.992 6.040
60 HA TYR 7 HA TYR 7 4.679 -5.284 4.711
61 HD1 TYR 7 HD2 TYR 7 4.762 -4.468 2.376
62 HD2 TYR 7 HD1 TYR 7 5.233 -8.666 1.870
63 HE1 TYR 7 HE2 TYR 7 3.456 -4.358 0.299
64 HE2 TYR 7 HE1 TYR 7 3.924 -8.566 -0.208
65 HH TYR 7 HH TYR 7 3.106 -5.616 -1.737
66 HB2 TYR 7 2HB TYR 7 6.696 -5.956 3.494
67 HB3 TYR 7 1HB TYR 7 6.251 -7.652 3.665
68 H ALA 8 H ALA 8 2.895 -5.890 6.061
69 HA ALA 8 HA ALA 8 1.683 -8.455 5.283
70 HB1 ALA 8 3HB ALA 8 0.178 -8.161 7.160
71 HB2 ALA 8 1HB ALA 8 0.872 -6.575 7.500
72 HB3 ALA 8 2HB ALA 8 1.851 -8.028 7.699
73 HA PRO 9 HA PRO 9 -0.290 -5.942 2.061
74 HB2 PRO 9 2HB PRO 9 -1.862 -8.490 2.160
75 HB3 PRO 9 1HB PRO 9 -1.311 -7.567 0.759
76 HG2 PRO 9 2HG PRO 9 0.006 -9.740 1.548
77 HG3 PRO 9 1HG PRO 9 0.876 -8.314 0.953
78 HD2 PRO 9 2HD PRO 9 0.637 -9.362 3.710
79 HD3 PRO 9 1HD PRO 9 1.916 -8.372 2.983
80 H LYS 10 H LYS 10 -2.423 -7.976 4.104
81 HA LYS 10 HA LYS 10 -4.677 -6.340 3.749
82 HB2 LYS 10 2HB LYS 10 -3.965 -8.498 5.674
83 HB3 LYS 10 1HB LYS 10 -5.384 -7.509 6.002
84 HG2 LYS 10 2HG LYS 10 -6.270 -8.096 3.779
85 HG3 LYS 10 1HG LYS 10 -4.873 -9.146 3.527
86 HD2 LYS 10 2HD LYS 10 -5.522 -10.558 5.346
87 HD3 LYS 10 1HD LYS 10 -6.796 -9.435 5.827
88 HE2 LYS 10 2HE LYS 10 -6.696 -10.929 3.206
89 HE3 LYS 10 1HE LYS 10 -7.660 -11.399 4.605
90 HZ1 LYS 10 3HZ LYS 10 -8.873 -9.313 4.435
91 HZ2 LYS 10 1HZ LYS 10 -8.982 -10.186 2.984
92 HZ3 LYS 10 2HZ LYS 10 -7.944 -8.852 3.096
93 H LEU 11 H LEU 11 -2.219 -6.320 6.296
94 HA LEU 11 HA LEU 11 -3.512 -4.429 7.948
95 HG LEU 11 HG LEU 11 -2.627 -5.522 9.934
96 HB2 LEU 11 2HB LEU 11 -0.649 -5.283 7.664
97 HB3 LEU 11 1HB LEU 11 -1.083 -3.952 8.718
98 HD11 LEU 11 1HD1 LEU 11 -1.180 -7.616 8.324
99 HD12 LEU 11 2HD1 LEU 11 -2.889 -7.203 8.187
100 HD13 LEU 11 3HD1 LEU 11 -2.270 -7.916 9.677
101 HD21 LEU 11 3HD2 LEU 11 -0.435 -4.921 10.800
102 HD22 LEU 11 1HD2 LEU 11 0.303 -6.227 9.874
103 HD23 LEU 11 2HD2 LEU 11 -0.824 -6.599 11.181
104 H ILE 12 H ILE 12 -1.242 -4.113 5.280
105 HA ILE 12 HA ILE 12 -0.880 -1.323 5.425
106 HB ILE 12 HB ILE 12 -0.760 -3.159 3.025
107 HG12 ILE 12 2HG1 ILE 12 1.427 -2.062 4.810
108 HG13 ILE 12 1HG1 ILE 12 0.822 -3.714 4.838
109 HG21 ILE 12 1HG2 ILE 12 0.566 -1.389 1.958
110 HG22 ILE 12 2HG2 ILE 12 0.267 -0.338 3.344
111 HG23 ILE 12 3HG2 ILE 12 -1.074 -0.849 2.320
112 HD11 ILE 12 3HD1 ILE 12 1.639 -4.064 2.574
113 HD12 ILE 12 1HD1 ILE 12 2.939 -3.535 3.644
114 HD13 ILE 12 2HD1 ILE 12 2.205 -2.395 2.515
115 H VAL 13 H VAL 13 -3.079 -3.263 3.382
116 HA VAL 13 HA VAL 13 -4.360 -1.073 2.170
117 HB VAL 13 HB VAL 13 -5.396 -3.875 2.634
118 HG11 VAL 13 1HG1 VAL 13 -6.948 -3.426 0.788
119 HG12 VAL 13 2HG1 VAL 13 -6.405 -1.747 0.747
120 HG13 VAL 13 3HG1 VAL 13 -7.244 -2.369 2.167
121 HG21 VAL 13 3HG2 VAL 13 -4.015 -2.618 0.268
122 HG22 VAL 13 1HG2 VAL 13 -4.694 -4.246 0.310
123 HG23 VAL 13 2HG2 VAL 13 -3.340 -3.828 1.358
124 H LYS 14 H LYS 14 -5.176 -2.917 5.086
125 HA LYS 14 HA LYS 14 -7.697 -1.848 5.601
126 HB2 LYS 14 2HB LYS 14 -6.603 -3.771 6.793
127 HB3 LYS 14 1HB LYS 14 -5.630 -2.605 7.676
128 HG2 LYS 14 2HG LYS 14 -7.412 -3.239 9.092
129 HG3 LYS 14 1HG LYS 14 -7.769 -1.608 8.526
130 HD2 LYS 14 2HD LYS 14 -9.324 -2.493 6.884
131 HD3 LYS 14 1HD LYS 14 -8.918 -4.143 7.358
132 HE2 LYS 14 2HE LYS 14 -9.746 -3.623 9.647
133 HE3 LYS 14 1HE LYS 14 -10.270 -2.046 9.056
134 HZ1 LYS 14 3HZ LYS 14 -12.098 -3.616 9.079
135 HZ2 LYS 14 1HZ LYS 14 -11.243 -4.681 8.074
136 HZ3 LYS 14 2HZ LYS 14 -11.737 -3.171 7.489
137 H HIS 15 H HIS 15 -4.491 -0.625 6.450
138 HA HIS 15 HA HIS 15 -5.608 1.647 7.846
139 HD1 HIS 15 HD1 HIS 15 -2.909 -1.353 8.549
140 HD2 HIS 15 HD2 HIS 15 -4.186 1.973 10.690
141 HE1 HIS 15 HE1 HIS 15 -3.106 -2.125 10.933
142 HE2 HIS 15 HE2 HIS 15 -3.754 -0.068 12.233
143 HB2 HIS 15 2HB HIS 15 -2.785 0.799 7.212
144 HB3 HIS 15 1HB HIS 15 -3.167 2.301 8.035
145 H ALA 16 H ALA 16 -4.345 0.889 4.698
146 HA ALA 16 HA ALA 16 -3.684 3.468 3.804
147 HB1 ALA 16 3HB ALA 16 -3.818 2.553 1.554
148 HB2 ALA 16 1HB ALA 16 -4.652 1.126 2.170
149 HB3 ALA 16 2HB ALA 16 -2.981 1.443 2.637
150 H ARG 17 H ARG 17 -6.780 1.869 4.092
151 HA ARG 17 HA ARG 17 -8.208 3.571 2.335
152 HE ARG 17 HE ARG 17 -12.619 2.684 1.341
153 HB2 ARG 17 2HB ARG 17 -9.008 1.348 3.194
154 HB3 ARG 17 1HB ARG 17 -9.323 2.123 4.741
155 HG2 ARG 17 2HG ARG 17 -11.323 1.862 3.272
156 HG3 ARG 17 1HG ARG 17 -11.000 3.520 3.789
157 HD2 ARG 17 2HD ARG 17 -10.033 4.059 1.666
158 HD3 ARG 17 1HD ARG 17 -10.099 2.374 1.151
159 HH11 ARG 17 1HH1 ARG 17 -10.471 5.353 0.630
160 HH12 ARG 17 2HH1 ARG 17 -11.622 6.194 -0.359
161 HH21 ARG 17 1HH2 ARG 17 -14.124 3.756 0.021
162 HH22 ARG 17 2HH2 ARG 17 -13.716 5.279 -0.707
163 H ILE 18 H ILE 18 -7.039 3.968 5.548
164 HA ILE 18 HA ILE 18 -8.731 6.305 6.025
165 HB ILE 18 HB ILE 18 -6.639 5.044 7.806
166 HG12 ILE 18 2HG1 ILE 18 -9.656 4.805 7.896
167 HG13 ILE 18 1HG1 ILE 18 -8.559 3.552 7.325
168 HG21 ILE 18 1HG2 ILE 18 -7.662 6.371 9.592
169 HG22 ILE 18 2HG2 ILE 18 -8.757 7.100 8.419
170 HG23 ILE 18 3HG2 ILE 18 -7.023 7.404 8.311
171 HD11 ILE 18 3HD1 ILE 18 -9.289 3.091 9.587
172 HD12 ILE 18 1HD1 ILE 18 -8.692 4.662 10.121
173 HD13 ILE 18 2HD1 ILE 18 -7.559 3.432 9.560
174 H PHE 19 H PHE 19 -5.356 5.391 5.593
175 HA PHE 19 HA PHE 19 -4.493 8.166 5.828
176 HD1 PHE 19 HD1 PHE 19 -3.356 8.468 7.909
177 HD2 PHE 19 HD2 PHE 19 -3.044 4.263 7.367
178 HE1 PHE 19 HE1 PHE 19 -3.584 8.142 10.337
179 HE2 PHE 19 HE2 PHE 19 -3.266 3.924 9.793
180 HZ PHE 19 HZ PHE 19 -3.541 5.868 11.284
181 HB2 PHE 19 2HB PHE 19 -2.874 5.626 5.543
182 HB3 PHE 19 1HB PHE 19 -2.211 7.235 5.819
183 H LEU 20 H LEU 20 -5.868 6.667 3.482
184 HA LEU 20 HA LEU 20 -4.597 6.136 1.274
185 HG LEU 20 HG LEU 20 -7.345 8.043 2.752
186 HB2 LEU 20 2HB LEU 20 -6.457 7.262 -0.019
187 HB3 LEU 20 1HB LEU 20 -6.897 6.070 1.185
188 HD11 LEU 20 1HD1 LEU 20 -7.354 9.544 0.135
189 HD12 LEU 20 2HD1 LEU 20 -6.184 9.759 1.436
190 HD13 LEU 20 3HD1 LEU 20 -7.880 10.163 1.701
191 HD21 LEU 20 3HD2 LEU 20 -9.047 7.659 0.294
192 HD22 LEU 20 1HD2 LEU 20 -9.576 8.386 1.812
193 HD23 LEU 20 2HD2 LEU 20 -9.101 6.688 1.766
194 H THR 21 H THR 21 -4.475 9.435 2.457
195 HA THR 21 HA THR 21 -2.910 10.072 0.057
196 HB THR 21 HB THR 21 -4.793 11.513 0.057
197 HG1 THR 21 HG1 THR 21 -3.400 12.975 -0.487
198 HG21 THR 21 3HG2 THR 21 -5.515 11.278 2.363
199 HG22 THR 21 1HG2 THR 21 -5.386 12.979 1.923
200 HG23 THR 21 2HG2 THR 21 -4.133 12.226 2.912
201 H GLY 22 H GLY 22 -0.811 10.074 0.427
202 HA2 GLY 22 2HA GLY 22 0.695 11.650 1.955
203 HA3 GLY 22 1HA GLY 22 0.198 10.447 3.139
204 H VAL 23 H VAL 23 2.271 9.650 3.460
205 HA VAL 23 HA VAL 23 3.380 8.138 1.189
206 HB VAL 23 HB VAL 23 5.646 8.511 2.058
207 HG11 VAL 23 1HG1 VAL 23 5.896 10.855 1.437
208 HG12 VAL 23 2HG1 VAL 23 4.156 11.092 1.603
209 HG13 VAL 23 3HG1 VAL 23 4.782 10.027 0.349
210 HG21 VAL 23 3HG2 VAL 23 4.315 10.350 4.045
211 HG22 VAL 23 1HG2 VAL 23 6.054 10.194 3.796
212 HG23 VAL 23 2HG2 VAL 23 5.127 8.827 4.412
213 H ILE 24 H ILE 24 4.451 6.188 1.701
214 HA ILE 24 HA ILE 24 3.936 5.138 4.401
215 HB ILE 24 HB ILE 24 2.160 4.280 2.972
216 HG12 ILE 24 2HG1 ILE 24 4.252 2.164 3.516
217 HG13 ILE 24 1HG1 ILE 24 3.080 2.773 4.679
218 HG21 ILE 24 1HG2 ILE 24 2.619 2.916 1.008
219 HG22 ILE 24 2HG2 ILE 24 4.347 3.206 1.201
220 HG23 ILE 24 3HG2 ILE 24 3.267 4.544 0.814
221 HD11 ILE 24 3HD1 ILE 24 2.401 0.631 3.799
222 HD12 ILE 24 1HD1 ILE 24 2.456 1.265 2.154
223 HD13 ILE 24 2HD1 ILE 24 1.270 1.888 3.303
224 H TRP 25 H TRP 25 5.522 3.740 5.171
225 HA TRP 25 HA TRP 25 7.712 3.112 3.312
226 HD1 TRP 25 HD1 TRP 25 9.805 1.464 5.119
227 HE1 TRP 25 HE1 TRP 25 12.302 1.642 4.543
228 HE3 TRP 25 HE3 TRP 25 10.126 6.528 4.502
229 HZ2 TRP 25 HZ2 TRP 25 14.162 3.666 3.911
230 HZ3 TRP 25 HZ3 TRP 25 12.305 7.505 3.909
231 HH2 TRP 25 HH2 TRP 25 14.283 6.098 3.622
232 HB2 TRP 25 2HB TRP 25 8.266 5.031 4.911
233 HB3 TRP 25 1HB TRP 25 8.198 3.841 6.207
234 H VAL 26 H VAL 26 7.493 0.989 3.061
235 HA VAL 26 HA VAL 26 7.036 -0.689 5.425
236 HB VAL 26 HB VAL 26 7.381 -1.738 2.636
237 HG11 VAL 26 1HG1 VAL 26 5.975 -3.559 3.447
238 HG12 VAL 26 2HG1 VAL 26 5.855 -2.761 5.014
239 HG13 VAL 26 3HG1 VAL 26 7.415 -3.350 4.441
240 HG21 VAL 26 3HG2 VAL 26 5.669 -0.029 2.434
241 HG22 VAL 26 1HG2 VAL 26 4.806 -0.704 3.816
242 HG23 VAL 26 2HG2 VAL 26 4.939 -1.630 2.322
243 H LYS 27 H LYS 27 8.571 -2.205 6.077
244 HA LYS 27 HA LYS 27 11.257 -1.360 5.718
245 HB2 LYS 27 2HB LYS 27 10.484 -2.332 7.828
246 HB3 LYS 27 1HB LYS 27 10.199 -3.872 7.026
247 HG2 LYS 27 2HG LYS 27 12.579 -4.069 6.545
248 HG3 LYS 27 1HG LYS 27 12.870 -2.515 7.325
249 HD2 LYS 27 2HD LYS 27 11.689 -4.926 8.700
250 HD3 LYS 27 1HD LYS 27 13.392 -4.470 8.762
251 HE2 LYS 27 2HE LYS 27 12.709 -2.283 9.728
252 HE3 LYS 27 1HE LYS 27 11.049 -2.874 9.787
253 HZ1 LYS 27 3HZ LYS 27 12.341 -3.091 11.898
254 HZ2 LYS 27 1HZ LYS 27 13.314 -4.246 11.124
255 HZ3 LYS 27 2HZ LYS 27 11.655 -4.538 11.341
256 H ASP 28 H ASP 28 9.384 -4.070 4.492
257 HA ASP 28 HA ASP 28 11.574 -5.432 3.316
258 HB2 ASP 28 2HB ASP 28 8.605 -5.617 2.789
259 HB3 ASP 28 1HB ASP 28 9.801 -6.693 2.074
260 H LEU 29 H LEU 29 9.376 -2.964 2.142
261 HA LEU 29 HA LEU 29 10.504 -3.218 -0.552
262 HG LEU 29 HG LEU 29 7.610 -4.062 0.400
263 HB2 LEU 29 2HB LEU 29 8.096 -1.660 0.394
264 HB3 LEU 29 1HB LEU 29 8.643 -1.765 -1.268
265 HD11 LEU 29 1HD1 LEU 29 5.713 -4.013 -1.137
266 HD12 LEU 29 2HD1 LEU 29 6.391 -2.592 -1.933
267 HD13 LEU 29 3HD1 LEU 29 5.865 -2.496 -0.252
268 HD21 LEU 29 3HD2 LEU 29 7.716 -5.346 -1.682
269 HD22 LEU 29 1HD2 LEU 29 9.315 -4.803 -1.178
270 HD23 LEU 29 2HD2 LEU 29 8.477 -3.976 -2.491
271 H GLY 30 H GLY 30 9.257 -0.400 1.193
272 HA2 GLY 30 2HA GLY 30 11.432 1.047 1.808
273 HA3 GLY 30 1HA GLY 30 11.349 1.243 0.061
274 H ARG 31 H ARG 31 11.013 3.504 0.450
275 HA ARG 31 HA ARG 31 8.517 4.292 1.692
276 HE ARG 31 HE ARG 31 9.112 8.454 3.110
277 HB2 ARG 31 2HB ARG 31 10.311 5.785 2.116
278 HB3 ARG 31 1HB ARG 31 10.768 5.844 0.419
279 HG2 ARG 31 2HG ARG 31 8.690 7.036 -0.094
280 HG3 ARG 31 1HG ARG 31 8.248 6.990 1.612
281 HD2 ARG 31 2HD ARG 31 10.875 8.151 0.818
282 HD3 ARG 31 1HD ARG 31 9.415 9.102 0.569
283 HH11 ARG 31 1HH1 ARG 31 12.045 9.416 1.458
284 HH12 ARG 31 2HH1 ARG 31 12.682 10.281 2.826
285 HH21 ARG 31 1HH2 ARG 31 9.948 9.604 4.920
286 HH22 ARG 31 2HH2 ARG 31 11.504 10.374 4.791
287 H LEU 32 H LEU 32 6.683 4.507 0.679
288 HA LEU 32 HA LEU 32 6.656 4.947 -2.236
289 HG LEU 32 HG LEU 32 6.902 2.092 -1.027
290 HB2 LEU 32 2HB LEU 32 4.700 3.274 -0.641
291 HB3 LEU 32 1HB LEU 32 4.634 3.568 -2.367
292 HD11 LEU 32 1HD1 LEU 32 4.455 0.972 -2.398
293 HD12 LEU 32 2HD1 LEU 32 4.802 0.886 -0.672
294 HD13 LEU 32 3HD1 LEU 32 5.837 0.041 -1.820
295 HD21 LEU 32 3HD2 LEU 32 7.359 1.312 -3.295
296 HD22 LEU 32 1HD2 LEU 32 7.430 3.073 -3.202
297 HD23 LEU 32 2HD2 LEU 32 6.018 2.280 -3.906
298 H GLU 33 H GLU 33 4.408 5.836 -2.868
299 HA GLU 33 HA GLU 33 3.395 7.590 -0.727
300 HB2 GLU 33 2HB GLU 33 3.679 8.257 -3.670
301 HB3 GLU 33 1HB GLU 33 2.966 9.304 -2.450
302 HG2 GLU 33 2HG GLU 33 5.095 9.476 -1.313
303 HG3 GLU 33 1HG GLU 33 5.820 8.356 -2.462
304 H PHE 34 H PHE 34 1.104 8.354 -1.265
305 HA PHE 34 HA PHE 34 -0.299 6.945 -3.295
306 HD1 PHE 34 HD1 PHE 34 -1.305 7.904 0.370
307 HD2 PHE 34 HD2 PHE 34 0.015 3.890 -0.086
308 HE1 PHE 34 HE1 PHE 34 -0.885 7.766 2.789
309 HE2 PHE 34 HE2 PHE 34 0.439 3.747 2.329
310 HZ PHE 34 HZ PHE 34 -0.011 5.691 3.772
311 HB2 PHE 34 2HB PHE 34 -2.007 5.945 -1.640
312 HB3 PHE 34 1HB PHE 34 -0.518 5.073 -1.947
313 H GLU 35 H GLU 35 -2.209 7.786 -3.818
314 HA GLU 35 HA GLU 35 -3.515 9.632 -1.967
315 HB2 GLU 35 2HB GLU 35 -2.325 11.001 -3.641
316 HB3 GLU 35 1HB GLU 35 -3.116 10.111 -4.935
317 HG2 GLU 35 2HG GLU 35 -4.124 12.315 -4.525
318 HG3 GLU 35 1HG GLU 35 -5.262 10.991 -4.298
319 H LYS 36 H LYS 36 -5.742 9.432 -1.981
320 HA LYS 36 HA LYS 36 -7.741 8.356 -2.187
321 HB2 LYS 36 2HB LYS 36 -6.765 7.552 -4.934
322 HB3 LYS 36 1HB LYS 36 -8.428 7.523 -4.369
323 HG2 LYS 36 2HG LYS 36 -8.532 9.894 -4.293
324 HG3 LYS 36 1HG LYS 36 -6.793 10.039 -4.558
325 HD2 LYS 36 2HD LYS 36 -8.778 8.885 -6.516
326 HD3 LYS 36 1HD LYS 36 -8.076 10.502 -6.603
327 HE2 LYS 36 2HE LYS 36 -5.847 9.532 -6.836
328 HE3 LYS 36 1HE LYS 36 -6.529 7.912 -6.705
329 HZ1 LYS 36 3HZ LYS 36 -6.116 8.514 -9.004
330 HZ2 LYS 36 1HZ LYS 36 -7.122 9.868 -8.862
331 HZ3 LYS 36 2HZ LYS 36 -7.775 8.309 -8.736
332 H GLY 37 H GLY 37 -5.064 6.896 -1.535
333 HA2 GLY 37 2HA GLY 37 -4.382 4.779 -0.972
334 HA3 GLY 37 1HA GLY 37 -6.086 4.341 -0.956
335 H ARG 38 H ARG 38 -4.222 5.523 -3.708
336 HA ARG 38 HA ARG 38 -4.814 2.982 -5.080
337 HE ARG 38 HE ARG 38 -6.582 2.597 -9.492
338 HB2 ARG 38 2HB ARG 38 -5.932 5.017 -5.981
339 HB3 ARG 38 1HB ARG 38 -4.356 5.727 -6.273
340 HG2 ARG 38 2HG ARG 38 -5.374 4.837 -8.308
341 HG3 ARG 38 1HG ARG 38 -3.856 4.030 -7.917
342 HD2 ARG 38 2HD ARG 38 -5.010 2.110 -7.083
343 HD3 ARG 38 1HD ARG 38 -6.565 2.935 -7.193
344 HH11 ARG 38 1HH1 ARG 38 -3.511 1.549 -8.153
345 HH12 ARG 38 2HH1 ARG 38 -3.090 0.612 -9.550
346 HH21 ARG 38 1HH2 ARG 38 -6.020 1.368 -11.315
347 HH22 ARG 38 2HH2 ARG 38 -4.507 0.504 -11.342
348 H PHE 39 H PHE 39 -2.393 4.610 -3.654
349 HA PHE 39 HA PHE 39 -0.184 4.213 -3.464
350 HD1 PHE 39 HD1 PHE 39 1.715 2.107 -2.685
351 HD2 PHE 39 HD2 PHE 39 -2.408 1.141 -3.121
352 HE1 PHE 39 HE1 PHE 39 1.721 1.083 -0.448
353 HE2 PHE 39 HE2 PHE 39 -2.410 0.118 -0.881
354 HZ PHE 39 HZ PHE 39 -0.345 0.088 0.457
355 HB2 PHE 39 2HB PHE 39 -1.144 1.868 -4.992
356 HB3 PHE 39 1HB PHE 39 0.602 2.113 -4.892
357 H LEU 40 H LEU 40 1.436 5.300 -4.195
358 HA LEU 40 HA LEU 40 1.757 5.682 -7.098
359 HG LEU 40 HG LEU 40 -0.142 7.512 -5.433
360 HB2 LEU 40 2HB LEU 40 2.298 7.705 -4.916
361 HB3 LEU 40 1HB LEU 40 2.598 7.944 -6.624
362 HD11 LEU 40 1HD1 LEU 40 -0.478 9.892 -5.728
363 HD12 LEU 40 2HD1 LEU 40 1.168 10.073 -6.336
364 HD13 LEU 40 3HD1 LEU 40 0.895 9.605 -4.658
365 HD21 LEU 40 3HD2 LEU 40 -0.929 8.298 -7.608
366 HD22 LEU 40 1HD2 LEU 40 0.054 6.845 -7.779
367 HD23 LEU 40 2HD2 LEU 40 0.737 8.422 -8.173
368 H LEU 41 H LEU 41 3.822 5.434 -7.850
369 HA LEU 41 HA LEU 41 5.809 4.624 -5.849
370 HG LEU 41 HG LEU 41 4.103 3.895 -8.971
371 HB2 LEU 41 2HB LEU 41 6.845 3.381 -7.843
372 HB3 LEU 41 1HB LEU 41 5.404 2.720 -7.102
373 HD11 LEU 41 1HD1 LEU 41 5.887 5.359 -9.755
374 HD12 LEU 41 2HD1 LEU 41 5.330 4.283 -11.039
375 HD13 LEU 41 3HD1 LEU 41 6.850 3.949 -10.208
376 HD21 LEU 41 3HD2 LEU 41 4.490 2.035 -10.501
377 HD22 LEU 41 1HD2 LEU 41 4.400 1.491 -8.826
378 HD23 LEU 41 2HD2 LEU 41 5.967 1.625 -9.627
379 HA PRO 42 HA PRO 42 8.540 7.818 -7.296
380 HB2 PRO 42 2HB PRO 42 10.948 6.733 -6.755
381 HB3 PRO 42 1HB PRO 42 9.856 7.274 -5.475
382 HG2 PRO 42 2HG PRO 42 10.356 4.504 -6.494
383 HG3 PRO 42 1HG PRO 42 10.165 5.066 -4.823
384 HD2 PRO 42 2HD PRO 42 8.168 3.871 -6.253
385 HD3 PRO 42 1HD PRO 42 7.877 5.038 -4.947
386 H ARG 43 H ARG 43 10.835 7.842 -8.594
387 HA ARG 43 HA ARG 43 10.224 6.864 -11.192
388 HE ARG 43 HE ARG 43 14.939 7.893 -11.719
389 HB2 ARG 43 2HB ARG 43 11.620 8.912 -10.667
390 HB3 ARG 43 1HB ARG 43 12.934 7.815 -10.263
391 HG2 ARG 43 2HG ARG 43 12.910 6.925 -12.525
392 HG3 ARG 43 1HG ARG 43 11.560 7.980 -12.939
393 HD2 ARG 43 2HD ARG 43 13.556 8.984 -13.769
394 HD3 ARG 43 1HD ARG 43 13.008 9.928 -12.385
395 HH11 ARG 43 1HH1 ARG 43 14.483 11.203 -12.791
396 HH12 ARG 43 2HH1 ARG 43 16.050 11.718 -12.246
397 HH21 ARG 43 1HH2 ARG 43 17.004 8.570 -11.027
398 HH22 ARG 43 2HH2 ARG 43 17.489 10.224 -11.248
399 H LYS 44 H LYS 44 12.579 5.850 -8.723
400 HA LYS 44 HA LYS 44 12.951 3.372 -10.254
401 HB2 LYS 44 2HB LYS 44 14.994 4.696 -9.550
402 HB3 LYS 44 1HB LYS 44 14.593 4.288 -7.887
403 HG2 LYS 44 2HG LYS 44 14.863 2.102 -9.892
404 HG3 LYS 44 1HG LYS 44 16.317 2.861 -9.241
405 HD2 LYS 44 2HD LYS 44 14.121 1.584 -7.607
406 HD3 LYS 44 1HD LYS 44 15.666 0.829 -8.003
407 HE2 LYS 44 2HE LYS 44 16.794 2.748 -6.848
408 HE3 LYS 44 1HE LYS 44 15.200 3.285 -6.316
409 HZ1 LYS 44 3HZ LYS 44 16.292 1.976 -4.611
410 HZ2 LYS 44 1HZ LYS 44 16.459 0.667 -5.680
411 HZ3 LYS 44 2HZ LYS 44 14.915 1.158 -5.174
412 H SER 45 H SER 45 11.521 1.908 -9.709
413 HA SER 45 HA SER 45 10.821 1.628 -6.860
414 HG SER 45 HG SER 45 8.895 0.105 -6.855
415 HB2 SER 45 2HB SER 45 8.956 2.463 -8.238
416 HB3 SER 45 1HB SER 45 9.103 1.051 -9.282
417 H LEU 46 H LEU 46 11.733 0.045 -9.816
418 HA LEU 46 HA LEU 46 12.628 -1.981 -10.266
419 HG LEU 46 HG LEU 46 14.068 -0.920 -7.748
420 HB2 LEU 46 2HB LEU 46 12.255 -2.536 -7.324
421 HB3 LEU 46 1HB LEU 46 12.993 -3.654 -8.454
422 HD11 LEU 46 1HD1 LEU 46 14.277 -2.481 -5.904
423 HD12 LEU 46 2HD1 LEU 46 15.854 -2.187 -6.635
424 HD13 LEU 46 3HD1 LEU 46 14.986 -3.684 -6.978
425 HD21 LEU 46 3HD2 LEU 46 14.610 -1.556 -10.035
426 HD22 LEU 46 1HD2 LEU 46 15.205 -3.117 -9.473
427 HD23 LEU 46 2HD2 LEU 46 16.045 -1.637 -9.010
428 HA PRO 47 HA PRO 47 8.910 -3.891 -11.593
429 HB2 PRO 47 2HB PRO 47 10.681 -6.291 -11.757
430 HB3 PRO 47 1HB PRO 47 9.584 -5.616 -12.969
431 HG2 PRO 47 2HG PRO 47 12.210 -5.242 -13.168
432 HG3 PRO 47 1HG PRO 47 11.076 -3.943 -13.580
433 HD2 PRO 47 2HD PRO 47 12.799 -4.265 -11.173
434 HD3 PRO 47 1HD PRO 47 12.296 -2.784 -12.014
435 H LYS 48 H LYS 48 11.001 -5.689 -9.346
436 HA LYS 48 HA LYS 48 9.036 -7.493 -8.468
437 HB2 LYS 48 2HB LYS 48 10.518 -7.929 -6.555
438 HB3 LYS 48 1HB LYS 48 11.387 -7.932 -8.081
439 HG2 LYS 48 2HG LYS 48 12.347 -5.804 -7.632
440 HG3 LYS 48 1HG LYS 48 11.298 -5.563 -6.234
441 HD2 LYS 48 2HD LYS 48 13.542 -6.199 -5.526
442 HD3 LYS 48 1HD LYS 48 12.373 -7.446 -5.098
443 HE2 LYS 48 2HE LYS 48 14.354 -8.498 -5.967
444 HE3 LYS 48 1HE LYS 48 13.039 -8.706 -7.124
445 HZ1 LYS 48 3HZ LYS 48 15.115 -8.098 -8.211
446 HZ2 LYS 48 1HZ LYS 48 15.193 -6.670 -7.302
447 HZ3 LYS 48 2HZ LYS 48 13.943 -6.892 -8.430
448 H VAL 49 H VAL 49 9.765 -4.189 -7.463
449 HA VAL 49 HA VAL 49 8.132 -4.467 -5.077
450 HB VAL 49 HB VAL 49 9.417 -2.014 -6.292
451 HG11 VAL 49 1HG1 VAL 49 8.064 -2.368 -3.618
452 HG12 VAL 49 2HG1 VAL 49 7.478 -1.395 -4.967
453 HG13 VAL 49 3HG1 VAL 49 8.963 -0.939 -4.133
454 HG21 VAL 49 3HG2 VAL 49 11.046 -3.641 -5.510
455 HG22 VAL 49 1HG2 VAL 49 10.233 -3.731 -3.947
456 HG23 VAL 49 2HG2 VAL 49 11.024 -2.235 -4.446
457 H LYS 50 H LYS 50 7.895 -3.119 -8.317
458 HA LYS 50 HA LYS 50 5.398 -1.840 -7.942
459 HB2 LYS 50 2HB LYS 50 6.984 -1.464 -9.876
460 HB3 LYS 50 1HB LYS 50 6.420 -2.990 -10.542
461 HG2 LYS 50 2HG LYS 50 4.151 -2.123 -10.658
462 HG3 LYS 50 1HG LYS 50 4.685 -0.599 -9.952
463 HD2 LYS 50 2HD LYS 50 6.233 -0.335 -11.901
464 HD3 LYS 50 1HD LYS 50 5.470 -1.753 -12.621
465 HE2 LYS 50 2HE LYS 50 4.098 0.831 -11.882
466 HE3 LYS 50 1HE LYS 50 4.495 0.292 -13.513
467 HZ1 LYS 50 3HZ LYS 50 2.662 -1.128 -11.661
468 HZ2 LYS 50 1HZ LYS 50 2.990 -1.547 -13.271
469 HZ3 LYS 50 2HZ LYS 50 2.161 -0.109 -12.913
470 H GLN 51 H GLN 51 6.327 -5.131 -8.798
471 HA GLN 51 HA GLN 51 3.776 -6.140 -9.391
472 HB2 GLN 51 2HB GLN 51 6.228 -7.440 -8.211
473 HB3 GLN 51 1HB GLN 51 4.767 -8.338 -8.575
474 HG2 GLN 51 2HG GLN 51 6.465 -6.831 -10.541
475 HG3 GLN 51 1HG GLN 51 6.383 -8.582 -10.350
476 HE21 GLN 51 1HE2 GLN 51 4.812 -5.758 -11.578
477 HE22 GLN 51 2HE2 GLN 51 3.577 -6.578 -12.476
478 H ALA 52 H ALA 52 5.501 -5.768 -6.323
479 HA ALA 52 HA ALA 52 3.512 -6.926 -4.684
480 HB1 ALA 52 3HB ALA 52 5.576 -4.839 -3.991
481 HB2 ALA 52 1HB ALA 52 5.810 -6.584 -3.928
482 HB3 ALA 52 2HB ALA 52 4.660 -5.809 -2.836
483 H ILE 53 H ILE 53 4.109 -3.617 -5.787
484 HA ILE 53 HA ILE 53 2.053 -2.342 -4.355
485 HB ILE 53 HB ILE 53 3.217 -1.621 -7.053
486 HG12 ILE 53 2HG1 ILE 53 3.837 -0.582 -4.278
487 HG13 ILE 53 1HG1 ILE 53 4.843 -1.704 -5.188
488 HG21 ILE 53 1HG2 ILE 53 2.338 0.625 -6.651
489 HG22 ILE 53 2HG2 ILE 53 1.581 0.067 -5.159
490 HG23 ILE 53 3HG2 ILE 53 1.035 -0.563 -6.713
491 HD11 ILE 53 3HD1 ILE 53 4.194 1.122 -5.990
492 HD12 ILE 53 1HD1 ILE 53 5.226 0.001 -6.879
493 HD13 ILE 53 2HD1 ILE 53 5.710 0.565 -5.279
494 H LEU 54 H LEU 54 2.071 -3.871 -7.553
495 HA LEU 54 HA LEU 54 -0.623 -3.284 -8.192
496 HG LEU 54 HG LEU 54 1.913 -3.173 -9.881
497 HB2 LEU 54 2HB LEU 54 1.242 -5.439 -9.185
498 HB3 LEU 54 1HB LEU 54 -0.359 -5.166 -9.845
499 HD11 LEU 54 1HD1 LEU 54 0.691 -4.839 -12.075
500 HD12 LEU 54 2HD1 LEU 54 2.314 -5.017 -11.403
501 HD13 LEU 54 3HD1 LEU 54 1.884 -3.562 -12.305
502 HD21 LEU 54 3HD2 LEU 54 0.440 -1.855 -11.317
503 HD22 LEU 54 1HD2 LEU 54 -0.270 -2.095 -9.720
504 HD23 LEU 54 2HD2 LEU 54 -0.845 -3.042 -11.094
505 H GLU 55 H GLU 55 0.926 -5.991 -6.550
506 HA GLU 55 HA GLU 55 -1.330 -7.644 -6.260
507 HB2 GLU 55 2HB GLU 55 1.243 -7.948 -5.635
508 HB3 GLU 55 1HB GLU 55 0.675 -7.449 -4.052
509 HG2 GLU 55 2HG GLU 55 -0.618 -9.704 -5.540
510 HG3 GLU 55 1HG GLU 55 0.825 -9.949 -4.564
511 H LEU 56 H LEU 56 -0.025 -5.047 -4.237
512 HA LEU 56 HA LEU 56 -1.991 -5.069 -2.234
513 HG LEU 56 HG LEU 56 1.012 -4.558 -2.264
514 HB2 LEU 56 2HB LEU 56 -0.352 -2.773 -3.319
515 HB3 LEU 56 1HB LEU 56 -1.324 -2.688 -1.863
516 HD11 LEU 56 1HD1 LEU 56 0.825 -1.976 -0.720
517 HD12 LEU 56 2HD1 LEU 56 1.766 -2.252 -2.188
518 HD13 LEU 56 3HD1 LEU 56 2.189 -3.092 -0.694
519 HD21 LEU 56 3HD2 LEU 56 -0.609 -3.902 0.196
520 HD22 LEU 56 1HD2 LEU 56 0.819 -4.934 0.144
521 HD23 LEU 56 2HD2 LEU 56 -0.653 -5.420 -0.700
522 H ASN 57 H ASN 57 -1.781 -3.149 -5.230
523 HA ASN 57 HA ASN 57 -4.160 -1.719 -4.960
524 HB2 ASN 57 2HB ASN 57 -2.584 -2.609 -7.358
525 HB3 ASN 57 1HB ASN 57 -4.104 -1.752 -7.553
526 HD21 ASN 57 1HD2 ASN 57 -3.742 -0.057 -5.225
527 HD22 ASN 57 2HD2 ASN 57 -2.525 1.086 -5.658
528 H GLU 58 H GLU 58 -3.559 -4.857 -6.482
529 HA GLU 58 HA GLU 58 -6.184 -5.363 -7.351
530 HB2 GLU 58 2HB GLU 58 -4.133 -6.652 -7.989
531 HB3 GLU 58 1HB GLU 58 -4.156 -7.387 -6.399
532 HG2 GLU 58 2HG GLU 58 -5.128 -8.906 -7.969
533 HG3 GLU 58 1HG GLU 58 -6.384 -8.319 -6.881
534 H LEU 59 H LEU 59 -4.484 -6.253 -4.389
535 HA LEU 59 HA LEU 59 -6.520 -7.609 -3.073
536 HG LEU 59 HG LEU 59 -6.130 -6.456 -0.199
537 HB2 LEU 59 2HB LEU 59 -4.200 -7.491 -2.276
538 HB3 LEU 59 1HB LEU 59 -4.421 -5.799 -1.874
539 HD11 LEU 59 1HD1 LEU 59 -6.283 -8.800 0.480
540 HD12 LEU 59 2HD1 LEU 59 -5.244 -9.256 -0.870
541 HD13 LEU 59 3HD1 LEU 59 -6.839 -8.567 -1.178
542 HD21 LEU 59 3HD2 LEU 59 -3.430 -7.748 0.125
543 HD22 LEU 59 1HD2 LEU 59 -4.547 -7.350 1.431
544 HD23 LEU 59 2HD2 LEU 59 -3.824 -6.061 0.465
545 H ILE 60 H ILE 60 -5.868 -4.131 -3.175
546 HA ILE 60 HA ILE 60 -7.809 -3.271 -1.370
547 HB ILE 60 HB ILE 60 -6.858 -1.856 -3.873
548 HG12 ILE 60 2HG1 ILE 60 -5.914 -1.593 -1.011
549 HG13 ILE 60 1HG1 ILE 60 -5.064 -2.491 -2.263
550 HG21 ILE 60 1HG2 ILE 60 -7.573 0.197 -2.740
551 HG22 ILE 60 2HG2 ILE 60 -8.229 -0.767 -1.417
552 HG23 ILE 60 3HG2 ILE 60 -8.928 -0.896 -3.031
553 HD11 ILE 60 3HD1 ILE 60 -4.783 -0.411 -3.535
554 HD12 ILE 60 1HD1 ILE 60 -4.056 -0.320 -1.931
555 HD13 ILE 60 2HD1 ILE 60 -5.601 0.472 -2.245
556 H GLU 61 H GLU 61 -8.079 -3.495 -4.926
557 HA GLU 61 HA GLU 61 -10.841 -2.854 -4.946
558 HB2 GLU 61 2HB GLU 61 -9.026 -4.081 -7.015
559 HB3 GLU 61 1HB GLU 61 -10.726 -3.749 -7.320
560 HG2 GLU 61 2HG GLU 61 -8.614 -1.734 -6.596
561 HG3 GLU 61 1HG GLU 61 -9.355 -1.964 -8.180
562 H ALA 62 H ALA 62 -9.095 -5.878 -4.698
563 HA ALA 62 HA ALA 62 -11.307 -7.577 -5.243
564 HB1 ALA 62 3HB ALA 62 -9.949 -9.354 -4.300
565 HB2 ALA 62 1HB ALA 62 -8.846 -8.171 -3.602
566 HB3 ALA 62 2HB ALA 62 -8.968 -8.335 -5.353
567 H GLN 63 H GLN 63 -10.342 -5.765 -2.467
568 HA GLN 63 HA GLN 63 -12.243 -7.183 -0.764
569 HB2 GLN 63 2HB GLN 63 -10.396 -4.868 -0.146
570 HB3 GLN 63 1HB GLN 63 -11.440 -5.663 1.024
571 HG2 GLN 63 2HG GLN 63 -10.225 -7.763 0.658
572 HG3 GLN 63 1HG GLN 63 -9.169 -6.941 -0.486
573 HE21 GLN 63 1HE2 GLN 63 -9.153 -4.494 1.136
574 HE22 GLN 63 2HE2 GLN 63 -8.102 -4.822 2.465
575 H ASN 64 H ASN 64 -11.775 -4.089 -2.371
576 HA ASN 64 HA ASN 64 -14.045 -2.757 -1.379
577 HB2 ASN 64 2HB ASN 64 -12.447 -2.483 -3.914
578 HB3 ASN 64 1HB ASN 64 -13.899 -1.523 -3.658
579 HD21 ASN 64 1HD2 ASN 64 -11.135 -0.656 -3.948
580 HD22 ASN 64 2HD2 ASN 64 -10.759 0.213 -2.500
581 H HIS 65 H HIS 65 -13.616 -4.624 -4.384
582 HA HIS 65 HA HIS 65 -16.450 -4.393 -4.937
583 HD1 HIS 65 HD1 HIS 65 -17.225 -3.612 -7.515
584 HD2 HIS 65 HD2 HIS 65 -16.066 -7.584 -7.927
585 HE1 HIS 65 HE1 HIS 65 -18.898 -4.647 -9.077
586 HE2 HIS 65 HE2 HIS 65 -18.328 -7.100 -9.072
587 HB2 HIS 65 2HB HIS 65 -14.714 -4.201 -6.754
588 HB3 HIS 65 1HB HIS 65 -14.388 -5.917 -6.539
589 H GLN 66 H GLN 66 -16.661 -5.577 -2.800
590 HA GLN 66 HA GLN 66 -17.090 -8.417 -3.456
591 HB2 GLN 66 2HB GLN 66 -16.687 -7.050 -0.796
592 HB3 GLN 66 1HB GLN 66 -17.350 -8.674 -0.928
593 HG2 GLN 66 2HG GLN 66 -14.663 -7.808 -1.969
594 HG3 GLN 66 1HG GLN 66 -14.945 -8.675 -0.460
595 HE21 GLN 66 1HE2 GLN 66 -13.431 -9.416 -2.882
596 HE22 GLN 66 2HE2 GLN 66 -14.094 -10.935 -3.399
597 H THR 67 H THR 67 -18.461 -5.451 -2.261
598 HA THR 67 HA THR 67 -20.575 -4.681 -2.045
599 HB THR 67 HB THR 67 -21.498 -6.787 -3.992
600 HG1 THR 67 HG1 THR 67 -20.014 -6.150 -5.378
601 HG21 THR 67 3HG2 THR 67 -23.062 -5.016 -3.147
602 HG22 THR 67 1HG2 THR 67 -22.820 -4.972 -4.893
603 HG23 THR 67 2HG2 THR 67 -21.998 -3.805 -3.859
604 H LYS 68 H LYS 68 -22.912 -6.678 -2.588
605 HA LYS 68 HA LYS 68 -22.885 -7.833 0.120
606 HB2 LYS 68 2HB LYS 68 -24.589 -6.068 -0.337
607 HB3 LYS 68 1HB LYS 68 -25.263 -7.088 -1.598
608 HG2 LYS 68 2HG LYS 68 -25.857 -8.768 0.038
609 HG3 LYS 68 1HG LYS 68 -25.110 -7.811 1.319
610 HD2 LYS 68 2HD LYS 68 -26.710 -6.008 0.904
611 HD3 LYS 68 1HD LYS 68 -27.454 -6.962 -0.381
612 HE2 LYS 68 2HE LYS 68 -28.758 -7.130 1.653
613 HE3 LYS 68 1HE LYS 68 -28.041 -8.689 1.257
614 HZ1 LYS 68 3HZ LYS 68 -26.930 -6.779 3.235
615 HZ2 LYS 68 1HZ LYS 68 -26.364 -8.348 2.918
616 HZ3 LYS 68 2HZ LYS 68 -27.890 -8.116 3.625
617 H THR 69 H THR 69 -22.809 -8.522 -3.155
618 HA THR 69 HA THR 69 -24.233 -11.015 -3.132
619 HB THR 69 HB THR 69 -22.256 -10.006 -5.186
620 HG1 THR 69 HG1 THR 69 -23.960 -8.927 -6.142
621 HG21 THR 69 3HG2 THR 69 -24.587 -11.915 -5.398
622 HG22 THR 69 1HG2 THR 69 -22.879 -12.351 -5.449
623 HG23 THR 69 2HG2 THR 69 -23.580 -11.375 -6.740
624 H ALA 70 H ALA 70 -23.412 -12.982 -2.620
625 HA ALA 70 HA ALA 70 -20.769 -13.256 -1.599
626 HB1 ALA 70 3HB ALA 70 -22.782 -15.384 -2.337
627 HB2 ALA 70 1HB ALA 70 -22.599 -14.628 -0.755
628 HB3 ALA 70 2HB ALA 70 -21.309 -15.644 -1.400
629 H LEU 71 H LEU 71 -19.315 -12.691 -3.152
630 HA LEU 71 HA LEU 71 -17.954 -12.821 -4.944
631 HG LEU 71 HG LEU 71 -17.685 -14.972 -7.179
632 HB2 LEU 71 2HB LEU 71 -17.640 -15.140 -4.160
633 HB3 LEU 71 1HB LEU 71 -18.963 -15.653 -5.190
634 HD11 LEU 71 1HD1 LEU 71 -16.369 -13.180 -6.204
635 HD12 LEU 71 2HD1 LEU 71 -15.318 -14.378 -6.959
636 HD13 LEU 71 3HD1 LEU 71 -15.496 -14.342 -5.205
637 HD21 LEU 71 3HD2 LEU 71 -16.012 -16.735 -7.097
638 HD22 LEU 71 1HD2 LEU 71 -17.519 -17.265 -6.352
639 HD23 LEU 71 2HD2 LEU 71 -16.152 -16.800 -5.341
640 H GLU 72 H GLU 72 -18.551 -11.536 -6.537
641 HA GLU 72 HA GLU 72 -21.066 -11.879 -7.897
642 HB2 GLU 72 2HB GLU 72 -18.848 -9.861 -8.265
643 HB3 GLU 72 1HB GLU 72 -20.393 -9.807 -9.103
644 HG2 GLU 72 2HG GLU 72 -21.536 -9.634 -6.929
645 HG3 GLU 72 1HG GLU 72 -19.964 -9.606 -6.130
646 H HIS 73 H HIS 73 -18.963 -13.896 -8.239
647 HA HIS 73 HA HIS 73 -18.013 -13.735 -10.933
648 HD1 HIS 73 HD1 HIS 73 -15.200 -15.421 -11.027
649 HD2 HIS 73 HD2 HIS 73 -18.534 -17.883 -11.368
650 HE1 HIS 73 HE1 HIS 73 -14.610 -17.122 -12.781
651 HE2 HIS 73 HE2 HIS 73 -16.563 -18.715 -12.815
652 HB2 HIS 73 2HB HIS 73 -16.886 -15.077 -9.173
653 HB3 HIS 73 1HB HIS 73 -18.281 -16.146 -9.117
654 H HIS 74 H HIS 74 -19.819 -13.312 -12.212
655 HA HIS 74 HA HIS 74 -21.278 -15.442 -13.255
656 HD1 HIS 74 HD1 HIS 74 -23.254 -17.048 -13.282
657 HD2 HIS 74 HD2 HIS 74 -25.467 -13.707 -12.168
658 HE1 HIS 74 HE1 HIS 74 -25.547 -17.399 -14.249
659 HE2 HIS 74 HE2 HIS 74 -26.918 -15.476 -13.386
660 HB2 HIS 74 2HB HIS 74 -22.410 -15.468 -11.042
661 HB3 HIS 74 1HB HIS 74 -22.913 -13.802 -11.296
Start of MODEL 3
1 HA MET 1 HA MET 1 3.885 9.306 6.360
2 H1 MET 1 1H MET 1 4.721 11.327 7.296
3 H2 MET 1 2H MET 1 5.433 10.492 8.588
4 H3 MET 1 3H MET 1 3.745 10.542 8.439
5 HB2 MET 1 2HB MET 1 6.803 9.027 7.123
6 HB3 MET 1 1HB MET 1 6.007 8.193 5.796
7 HG2 MET 1 2HG MET 1 5.584 10.336 4.705
8 HG3 MET 1 1HG MET 1 6.387 11.168 6.033
9 HE1 MET 1 3HE MET 1 8.991 10.895 6.585
10 HE2 MET 1 1HE MET 1 10.073 9.849 5.668
11 HE3 MET 1 2HE MET 1 8.791 9.145 6.656
12 H ARG 2 H ARG 2 3.756 6.992 6.419
13 HA ARG 2 HA ARG 2 3.701 5.959 9.170
14 HE ARG 2 HE ARG 2 1.765 4.634 10.163
15 HB2 ARG 2 2HB ARG 2 2.451 4.830 6.658
16 HB3 ARG 2 1HB ARG 2 2.271 4.172 8.278
17 HG2 ARG 2 2HG ARG 2 1.266 6.810 7.265
18 HG3 ARG 2 1HG ARG 2 0.311 5.403 7.727
19 HD2 ARG 2 2HD ARG 2 1.992 7.128 9.535
20 HD3 ARG 2 1HD ARG 2 0.233 7.048 9.489
21 HH11 ARG 2 1HH1 ARG 2 -0.460 7.166 11.077
22 HH12 ARG 2 2HH1 ARG 2 -0.933 6.406 12.562
23 HH21 ARG 2 1HH2 ARG 2 1.159 3.623 12.115
24 HH22 ARG 2 2HH2 ARG 2 -0.002 4.386 13.162
25 H VAL 3 H VAL 3 4.729 4.028 9.709
26 HA VAL 3 HA VAL 3 6.669 3.050 7.717
27 HB VAL 3 HB VAL 3 7.194 3.342 10.683
28 HG11 VAL 3 1HG1 VAL 3 9.014 2.516 8.426
29 HG12 VAL 3 2HG1 VAL 3 8.380 1.464 9.691
30 HG13 VAL 3 3HG1 VAL 3 9.501 2.762 10.103
31 HG21 VAL 3 3HG2 VAL 3 8.235 4.968 8.364
32 HG22 VAL 3 1HG2 VAL 3 8.793 5.096 10.034
33 HG23 VAL 3 2HG2 VAL 3 7.132 5.525 9.623
34 H PHE 4 H PHE 4 6.671 0.909 7.404
35 HA PHE 4 HA PHE 4 5.418 -0.789 9.453
36 HD1 PHE 4 HD1 PHE 4 3.709 1.204 6.703
37 HD2 PHE 4 HD2 PHE 4 2.753 -2.333 8.863
38 HE1 PHE 4 HE1 PHE 4 1.471 2.106 7.176
39 HE2 PHE 4 HE2 PHE 4 0.510 -1.442 9.340
40 HZ PHE 4 HZ PHE 4 -0.135 0.782 8.496
41 HB2 PHE 4 2HB PHE 4 5.026 -0.862 6.465
42 HB3 PHE 4 1HB PHE 4 4.681 -2.257 7.480
43 HA PRO 5 HA PRO 5 9.512 -2.556 9.071
44 HB2 PRO 5 2HB PRO 5 9.387 -4.048 11.313
45 HB3 PRO 5 1HB PRO 5 9.618 -2.297 11.359
46 HG2 PRO 5 2HG PRO 5 7.119 -3.892 11.778
47 HG3 PRO 5 1HG PRO 5 7.724 -2.496 12.691
48 HD2 PRO 5 2HD PRO 5 5.794 -2.311 10.771
49 HD3 PRO 5 1HD PRO 5 6.909 -0.987 11.160
50 H VAL 6 H VAL 6 6.570 -3.936 8.503
51 HA VAL 6 HA VAL 6 7.782 -6.462 7.679
52 HB VAL 6 HB VAL 6 6.785 -6.977 9.834
53 HG11 VAL 6 1HG1 VAL 6 5.176 -5.171 9.989
54 HG12 VAL 6 2HG1 VAL 6 4.381 -6.724 10.244
55 HG13 VAL 6 3HG1 VAL 6 4.212 -5.889 8.700
56 HG21 VAL 6 3HG2 VAL 6 5.115 -8.037 7.557
57 HG22 VAL 6 1HG2 VAL 6 5.218 -8.748 9.167
58 HG23 VAL 6 2HG2 VAL 6 6.645 -8.699 8.134
59 H TYR 7 H TYR 7 6.969 -7.259 5.778
60 HA TYR 7 HA TYR 7 5.210 -5.514 4.287
61 HD1 TYR 7 HD2 TYR 7 5.205 -4.982 1.959
62 HD2 TYR 7 HD1 TYR 7 5.651 -9.205 1.705
63 HE1 TYR 7 HE2 TYR 7 3.985 -4.979 -0.179
64 HE2 TYR 7 HE1 TYR 7 4.436 -9.212 -0.431
65 HH TYR 7 HH TYR 7 2.849 -7.852 -1.648
66 HB2 TYR 7 2HB TYR 7 7.150 -6.490 3.167
67 HB3 TYR 7 1HB TYR 7 6.560 -8.110 3.510
68 H ALA 8 H ALA 8 3.226 -5.681 5.241
69 HA ALA 8 HA ALA 8 1.890 -8.285 4.931
70 HB1 ALA 8 3HB ALA 8 0.528 -7.772 6.883
71 HB2 ALA 8 1HB ALA 8 1.382 -6.244 7.092
72 HB3 ALA 8 2HB ALA 8 2.242 -7.770 7.301
73 HA PRO 9 HA PRO 9 -0.131 -5.532 1.816
74 HB2 PRO 9 2HB PRO 9 -1.400 -8.244 1.624
75 HB3 PRO 9 1HB PRO 9 -0.968 -7.119 0.336
76 HG2 PRO 9 2HG PRO 9 0.593 -9.198 0.863
77 HG3 PRO 9 1HG PRO 9 1.298 -7.617 0.476
78 HD2 PRO 9 2HD PRO 9 1.125 -9.022 3.088
79 HD3 PRO 9 1HD PRO 9 2.336 -7.863 2.503
80 H LYS 10 H LYS 10 -1.808 -8.015 3.709
81 HA LYS 10 HA LYS 10 -4.363 -7.033 3.737
82 HB2 LYS 10 2HB LYS 10 -2.918 -8.350 6.044
83 HB3 LYS 10 1HB LYS 10 -4.663 -8.219 5.875
84 HG2 LYS 10 2HG LYS 10 -4.667 -9.670 3.987
85 HG3 LYS 10 1HG LYS 10 -2.905 -9.644 3.896
86 HD2 LYS 10 2HD LYS 10 -4.560 -10.815 6.133
87 HD3 LYS 10 1HD LYS 10 -3.689 -11.724 4.896
88 HE2 LYS 10 2HE LYS 10 -1.582 -10.633 5.718
89 HE3 LYS 10 1HE LYS 10 -2.523 -9.981 7.058
90 HZ1 LYS 10 3HZ LYS 10 -2.128 -12.862 6.443
91 HZ2 LYS 10 1HZ LYS 10 -3.078 -12.256 7.713
92 HZ3 LYS 10 2HZ LYS 10 -1.401 -12.005 7.710
93 H LEU 11 H LEU 11 -1.884 -6.334 6.213
94 HA LEU 11 HA LEU 11 -3.516 -4.573 7.696
95 HG LEU 11 HG LEU 11 -1.344 -6.879 8.287
96 HB2 LEU 11 2HB LEU 11 -0.501 -4.708 7.596
97 HB3 LEU 11 1HB LEU 11 -1.451 -3.915 8.836
98 HD11 LEU 11 1HD1 LEU 11 -0.332 -6.984 10.519
99 HD12 LEU 11 2HD1 LEU 11 -0.351 -5.222 10.599
100 HD13 LEU 11 3HD1 LEU 11 0.642 -6.036 9.393
101 HD21 LEU 11 3HD2 LEU 11 -3.583 -6.238 8.975
102 HD22 LEU 11 1HD2 LEU 11 -2.926 -5.342 10.344
103 HD23 LEU 11 2HD2 LEU 11 -2.764 -7.098 10.281
104 H ILE 12 H ILE 12 -1.131 -4.048 5.159
105 HA ILE 12 HA ILE 12 -0.976 -1.250 5.337
106 HB ILE 12 HB ILE 12 -0.572 -3.032 2.928
107 HG12 ILE 12 2HG1 ILE 12 1.431 -1.829 4.855
108 HG13 ILE 12 1HG1 ILE 12 0.907 -3.509 4.868
109 HG21 ILE 12 1HG2 ILE 12 -0.969 -0.747 2.226
110 HG22 ILE 12 2HG2 ILE 12 0.733 -1.159 2.012
111 HG23 ILE 12 3HG2 ILE 12 0.234 -0.162 3.378
112 HD11 ILE 12 3HD1 ILE 12 2.371 -2.142 2.622
113 HD12 ILE 12 1HD1 ILE 12 1.862 -3.830 2.652
114 HD13 ILE 12 2HD1 ILE 12 3.073 -3.255 3.796
115 H VAL 13 H VAL 13 -2.880 -3.264 3.090
116 HA VAL 13 HA VAL 13 -4.194 -1.080 1.865
117 HB VAL 13 HB VAL 13 -5.007 -3.991 1.989
118 HG11 VAL 13 1HG1 VAL 13 -6.396 -3.502 0.028
119 HG12 VAL 13 2HG1 VAL 13 -5.996 -1.791 0.176
120 HG13 VAL 13 3HG1 VAL 13 -6.926 -2.590 1.442
121 HG21 VAL 13 3HG2 VAL 13 -3.535 -2.417 -0.122
122 HG22 VAL 13 1HG2 VAL 13 -4.030 -4.106 -0.255
123 HG23 VAL 13 2HG2 VAL 13 -2.833 -3.629 0.949
124 H LYS 14 H LYS 14 -5.015 -3.100 4.634
125 HA LYS 14 HA LYS 14 -7.663 -2.311 5.028
126 HB2 LYS 14 2HB LYS 14 -5.597 -3.609 6.570
127 HB3 LYS 14 1HB LYS 14 -6.503 -2.496 7.583
128 HG2 LYS 14 2HG LYS 14 -7.534 -4.621 7.753
129 HG3 LYS 14 1HG LYS 14 -8.591 -3.589 6.787
130 HD2 LYS 14 2HD LYS 14 -7.809 -4.615 4.749
131 HD3 LYS 14 1HD LYS 14 -6.617 -5.563 5.640
132 HE2 LYS 14 2HE LYS 14 -8.465 -6.992 5.126
133 HE3 LYS 14 1HE LYS 14 -8.505 -6.656 6.856
134 HZ1 LYS 14 3HZ LYS 14 -10.226 -5.022 6.480
135 HZ2 LYS 14 1HZ LYS 14 -10.700 -6.516 5.831
136 HZ3 LYS 14 2HZ LYS 14 -10.152 -5.282 4.806
137 H HIS 15 H HIS 15 -4.647 -0.780 6.054
138 HA HIS 15 HA HIS 15 -6.080 1.285 7.471
139 HD1 HIS 15 HD1 HIS 15 -2.717 1.687 10.066
140 HD2 HIS 15 HD2 HIS 15 -5.361 -1.225 8.708
141 HE1 HIS 15 HE1 HIS 15 -3.185 0.216 12.050
142 HE2 HIS 15 HE2 HIS 15 -4.957 -1.397 11.260
143 HB2 HIS 15 2HB HIS 15 -3.163 0.695 7.021
144 HB3 HIS 15 1HB HIS 15 -3.691 2.194 7.769
145 H ALA 16 H ALA 16 -4.595 0.820 4.378
146 HA ALA 16 HA ALA 16 -4.112 3.488 3.660
147 HB1 ALA 16 3HB ALA 16 -4.800 1.180 1.845
148 HB2 ALA 16 1HB ALA 16 -3.188 1.574 2.443
149 HB3 ALA 16 2HB ALA 16 -4.027 2.692 1.368
150 H ARG 17 H ARG 17 -7.074 1.658 3.765
151 HA ARG 17 HA ARG 17 -8.588 3.250 1.999
152 HE ARG 17 HE ARG 17 -11.836 1.183 5.124
153 HB2 ARG 17 2HB ARG 17 -9.318 1.028 2.811
154 HB3 ARG 17 1HB ARG 17 -9.568 1.710 4.411
155 HG2 ARG 17 2HG ARG 17 -11.354 3.076 3.648
156 HG3 ARG 17 1HG ARG 17 -10.992 2.710 1.959
157 HD2 ARG 17 2HD ARG 17 -12.913 1.441 2.643
158 HD3 ARG 17 1HD ARG 17 -11.559 0.342 2.395
159 HH11 ARG 17 1HH1 ARG 17 -13.003 -1.065 2.709
160 HH12 ARG 17 2HH1 ARG 17 -13.547 -2.237 3.866
161 HH21 ARG 17 1HH2 ARG 17 -12.533 -0.372 6.665
162 HH22 ARG 17 2HH2 ARG 17 -13.253 -1.855 6.112
163 H ILE 18 H ILE 18 -7.487 3.778 5.219
164 HA ILE 18 HA ILE 18 -9.267 6.086 5.555
165 HB ILE 18 HB ILE 18 -7.333 4.868 7.537
166 HG12 ILE 18 2HG1 ILE 18 -10.348 4.621 7.400
167 HG13 ILE 18 1HG1 ILE 18 -9.213 3.360 6.931
168 HG21 ILE 18 1HG2 ILE 18 -8.527 6.228 9.195
169 HG22 ILE 18 2HG2 ILE 18 -9.496 6.941 7.903
170 HG23 ILE 18 3HG2 ILE 18 -7.755 7.226 7.960
171 HD11 ILE 18 3HD1 ILE 18 -10.118 2.957 9.147
172 HD12 ILE 18 1HD1 ILE 18 -9.512 4.522 9.691
173 HD13 ILE 18 2HD1 ILE 18 -8.381 3.254 9.219
174 H PHE 19 H PHE 19 -5.849 5.183 5.548
175 HA PHE 19 HA PHE 19 -4.978 7.934 5.791
176 HD1 PHE 19 HD2 PHE 19 -3.002 8.245 7.795
177 HD2 PHE 19 HD1 PHE 19 -4.352 4.224 7.454
178 HE1 PHE 19 HE2 PHE 19 -3.163 8.094 10.247
179 HE2 PHE 19 HE1 PHE 19 -4.521 4.069 9.903
180 HZ PHE 19 HZ PHE 19 -3.925 6.006 11.303
181 HB2 PHE 19 2HB PHE 19 -3.452 5.340 5.570
182 HB3 PHE 19 1HB PHE 19 -2.683 6.916 5.717
183 H LEU 20 H LEU 20 -6.271 6.528 3.348
184 HA LEU 20 HA LEU 20 -4.901 6.008 1.195
185 HG LEU 20 HG LEU 20 -7.637 7.948 2.585
186 HB2 LEU 20 2HB LEU 20 -6.664 7.219 -0.161
187 HB3 LEU 20 1HB LEU 20 -7.183 5.989 0.971
188 HD11 LEU 20 1HD1 LEU 20 -8.201 10.063 1.495
189 HD12 LEU 20 2HD1 LEU 20 -7.567 9.442 -0.028
190 HD13 LEU 20 3HD1 LEU 20 -6.484 9.688 1.342
191 HD21 LEU 20 3HD2 LEU 20 -9.297 7.515 0.111
192 HD22 LEU 20 1HD2 LEU 20 -9.861 8.301 1.586
193 HD23 LEU 20 2HD2 LEU 20 -9.387 6.602 1.619
194 H THR 21 H THR 21 -4.789 9.325 2.405
195 HA THR 21 HA THR 21 -3.048 9.885 0.102
196 HB THR 21 HB THR 21 -4.938 11.367 -0.026
197 HG1 THR 21 HG1 THR 21 -2.866 12.296 -0.491
198 HG21 THR 21 3HG2 THR 21 -4.281 12.225 2.792
199 HG22 THR 21 1HG2 THR 21 -5.697 11.302 2.287
200 HG23 THR 21 2HG2 THR 21 -5.492 12.969 1.747
201 H GLY 22 H GLY 22 -1.109 9.294 0.877
202 HA2 GLY 22 2HA GLY 22 0.287 10.994 2.623
203 HA3 GLY 22 1HA GLY 22 -0.226 9.576 3.519
204 H VAL 23 H VAL 23 2.153 9.380 3.745
205 HA VAL 23 HA VAL 23 3.299 7.939 1.438
206 HB VAL 23 HB VAL 23 4.871 9.537 3.469
207 HG11 VAL 23 1HG1 VAL 23 5.694 8.247 0.870
208 HG12 VAL 23 2HG1 VAL 23 6.125 7.707 2.493
209 HG13 VAL 23 3HG1 VAL 23 6.727 9.251 1.887
210 HG21 VAL 23 3HG2 VAL 23 5.247 11.173 1.667
211 HG22 VAL 23 1HG2 VAL 23 3.553 11.072 2.146
212 HG23 VAL 23 2HG2 VAL 23 4.093 10.299 0.657
213 H ILE 24 H ILE 24 4.189 5.973 1.862
214 HA ILE 24 HA ILE 24 4.224 5.114 4.681
215 HB ILE 24 HB ILE 24 2.342 4.086 3.476
216 HG12 ILE 24 2HG1 ILE 24 4.567 2.134 4.107
217 HG13 ILE 24 1HG1 ILE 24 3.424 2.808 5.264
218 HG21 ILE 24 1HG2 ILE 24 3.233 4.134 1.227
219 HG22 ILE 24 2HG2 ILE 24 2.748 2.494 1.659
220 HG23 ILE 24 3HG2 ILE 24 4.454 2.941 1.663
221 HD11 ILE 24 3HD1 ILE 24 2.816 0.543 4.646
222 HD12 ILE 24 1HD1 ILE 24 2.738 1.010 2.948
223 HD13 ILE 24 2HD1 ILE 24 1.593 1.689 4.105
224 H TRP 25 H TRP 25 5.975 3.940 5.339
225 HA TRP 25 HA TRP 25 8.053 3.431 3.320
226 HD1 TRP 25 HD1 TRP 25 10.563 2.041 4.983
227 HE1 TRP 25 HE1 TRP 25 12.904 2.671 4.126
228 HE3 TRP 25 HE3 TRP 25 9.843 7.058 4.330
229 HZ2 TRP 25 HZ2 TRP 25 14.261 5.002 3.276
230 HZ3 TRP 25 HZ3 TRP 25 11.711 8.418 3.486
231 HH2 TRP 25 HH2 TRP 25 13.875 7.408 2.972
232 HB2 TRP 25 2HB TRP 25 8.427 5.288 5.109
233 HB3 TRP 25 1HB TRP 25 8.668 3.944 6.221
234 H VAL 26 H VAL 26 7.758 1.303 2.943
235 HA VAL 26 HA VAL 26 7.342 -0.532 5.178
236 HB VAL 26 HB VAL 26 7.694 -1.355 2.310
237 HG11 VAL 26 1HG1 VAL 26 6.147 -2.564 4.592
238 HG12 VAL 26 2HG1 VAL 26 7.701 -3.122 3.971
239 HG13 VAL 26 3HG1 VAL 26 6.259 -3.222 2.960
240 HG21 VAL 26 3HG2 VAL 26 5.107 -0.454 3.575
241 HG22 VAL 26 1HG2 VAL 26 5.280 -1.164 1.971
242 HG23 VAL 26 2HG2 VAL 26 5.995 0.409 2.321
243 H LYS 27 H LYS 27 8.792 -2.203 5.660
244 HA LYS 27 HA LYS 27 11.531 -1.422 5.359
245 HB2 LYS 27 2HB LYS 27 10.417 -2.495 7.407
246 HB3 LYS 27 1HB LYS 27 10.579 -4.019 6.546
247 HG2 LYS 27 2HG LYS 27 12.426 -3.804 8.038
248 HG3 LYS 27 1HG LYS 27 13.026 -3.603 6.390
249 HD2 LYS 27 2HD LYS 27 14.034 -1.956 7.864
250 HD3 LYS 27 1HD LYS 27 12.982 -1.162 6.692
251 HE2 LYS 27 2HE LYS 27 11.202 -1.060 8.390
252 HE3 LYS 27 1HE LYS 27 12.291 -1.808 9.557
253 HZ1 LYS 27 3HZ LYS 27 12.226 0.586 9.833
254 HZ2 LYS 27 1HZ LYS 27 12.715 0.815 8.221
255 HZ3 LYS 27 2HZ LYS 27 13.773 0.092 9.330
256 H ASP 28 H ASP 28 9.425 -3.788 3.925
257 HA ASP 28 HA ASP 28 11.624 -5.218 2.661
258 HB2 ASP 28 2HB ASP 28 8.633 -5.659 2.587
259 HB3 ASP 28 1HB ASP 28 9.805 -6.680 1.766
260 H LEU 29 H LEU 29 10.268 -2.390 1.987
261 HA LEU 29 HA LEU 29 10.452 -2.784 -0.910
262 HG LEU 29 HG LEU 29 7.854 -3.876 0.223
263 HB2 LEU 29 2HB LEU 29 8.156 -1.428 0.501
264 HB3 LEU 29 1HB LEU 29 8.459 -1.295 -1.219
265 HD11 LEU 29 1HD1 LEU 29 5.671 -3.735 -0.870
266 HD12 LEU 29 2HD1 LEU 29 6.093 -2.148 -1.510
267 HD13 LEU 29 3HD1 LEU 29 5.931 -2.382 0.231
268 HD21 LEU 29 3HD2 LEU 29 8.088 -3.240 -2.717
269 HD22 LEU 29 1HD2 LEU 29 7.562 -4.782 -2.039
270 HD23 LEU 29 2HD2 LEU 29 9.210 -4.215 -1.767
271 H GLY 30 H GLY 30 9.729 -0.247 1.476
272 HA2 GLY 30 2HA GLY 30 11.598 1.450 1.710
273 HA3 GLY 30 1HA GLY 30 11.483 1.564 -0.043
274 H ARG 31 H ARG 31 10.960 3.777 0.122
275 HA ARG 31 HA ARG 31 8.535 4.537 1.501
276 HE ARG 31 HE ARG 31 8.073 8.763 -1.979
277 HB2 ARG 31 2HB ARG 31 9.977 6.277 1.715
278 HB3 ARG 31 1HB ARG 31 10.805 5.921 0.211
279 HG2 ARG 31 2HG ARG 31 8.057 7.053 0.076
280 HG3 ARG 31 1HG ARG 31 9.397 8.118 0.514
281 HD2 ARG 31 2HD ARG 31 10.588 7.295 -1.534
282 HD3 ARG 31 1HD ARG 31 9.103 6.464 -1.990
283 HH11 ARG 31 1HH1 ARG 31 11.485 8.254 -2.547
284 HH12 ARG 31 2HH1 ARG 31 11.668 9.674 -3.532
285 HH21 ARG 31 1HH2 ARG 31 8.285 10.618 -3.303
286 HH22 ARG 31 2HH2 ARG 31 9.849 11.019 -3.969
287 H LEU 32 H LEU 32 6.590 4.728 0.658
288 HA LEU 32 HA LEU 32 6.287 4.861 -2.263
289 HG LEU 32 HG LEU 32 6.902 2.082 -1.269
290 HB2 LEU 32 2HB LEU 32 4.786 3.052 -0.368
291 HB3 LEU 32 1HB LEU 32 4.275 3.374 -2.012
292 HD11 LEU 32 1HD1 LEU 32 5.876 0.007 -2.076
293 HD12 LEU 32 2HD1 LEU 32 4.337 0.849 -2.268
294 HD13 LEU 32 3HD1 LEU 32 5.035 0.644 -0.662
295 HD21 LEU 32 3HD2 LEU 32 5.503 2.380 -3.925
296 HD22 LEU 32 1HD2 LEU 32 7.026 1.536 -3.637
297 HD23 LEU 32 2HD2 LEU 32 6.926 3.282 -3.404
298 H GLU 33 H GLU 33 4.773 6.286 -2.928
299 HA GLU 33 HA GLU 33 3.218 7.637 -0.835
300 HB2 GLU 33 2HB GLU 33 4.062 8.668 -3.555
301 HB3 GLU 33 1HB GLU 33 3.140 9.569 -2.357
302 HG2 GLU 33 2HG GLU 33 4.999 9.501 -0.820
303 HG3 GLU 33 1HG GLU 33 5.926 8.511 -1.944
304 H PHE 34 H PHE 34 1.007 7.753 -1.036
305 HA PHE 34 HA PHE 34 -0.143 6.458 -3.401
306 HD1 PHE 34 HD1 PHE 34 1.506 5.332 0.011
307 HD2 PHE 34 HD2 PHE 34 -2.714 5.846 0.140
308 HE1 PHE 34 HE1 PHE 34 1.612 5.528 2.458
309 HE2 PHE 34 HE2 PHE 34 -2.612 6.050 2.590
310 HZ PHE 34 HZ PHE 34 -0.450 5.888 3.751
311 HB2 PHE 34 2HB PHE 34 -1.687 5.183 -1.852
312 HB3 PHE 34 1HB PHE 34 -0.014 4.644 -1.883
313 H GLU 35 H GLU 35 -2.288 6.889 -3.835
314 HA GLU 35 HA GLU 35 -3.641 8.935 -2.235
315 HB2 GLU 35 2HB GLU 35 -2.453 10.137 -4.041
316 HB3 GLU 35 1HB GLU 35 -3.243 9.117 -5.235
317 HG2 GLU 35 2HG GLU 35 -5.411 10.010 -4.567
318 HG3 GLU 35 1HG GLU 35 -4.623 11.030 -3.365
319 H LYS 36 H LYS 36 -5.836 8.610 -2.160
320 HA LYS 36 HA LYS 36 -7.817 7.488 -2.298
321 HB2 LYS 36 2HB LYS 36 -6.736 6.818 -5.038
322 HB3 LYS 36 1HB LYS 36 -8.311 6.273 -4.486
323 HG2 LYS 36 2HG LYS 36 -7.466 9.155 -4.669
324 HG3 LYS 36 1HG LYS 36 -8.407 8.293 -5.891
325 HD2 LYS 36 2HD LYS 36 -10.119 7.820 -4.151
326 HD3 LYS 36 1HD LYS 36 -9.202 8.834 -3.035
327 HE2 LYS 36 2HE LYS 36 -11.021 10.099 -4.020
328 HE3 LYS 36 1HE LYS 36 -9.466 10.733 -4.555
329 HZ1 LYS 36 3HZ LYS 36 -11.127 10.551 -6.345
330 HZ2 LYS 36 1HZ LYS 36 -11.146 8.868 -6.146
331 HZ3 LYS 36 2HZ LYS 36 -9.729 9.649 -6.659
332 H GLY 37 H GLY 37 -5.172 6.227 -1.466
333 HA2 GLY 37 2HA GLY 37 -4.805 4.209 -0.332
334 HA3 GLY 37 1HA GLY 37 -6.198 3.520 -1.153
335 H ARG 38 H ARG 38 -4.893 4.775 -3.686
336 HA ARG 38 HA ARG 38 -3.445 2.319 -4.340
337 HE ARG 38 HE ARG 38 -5.674 4.849 -7.580
338 HB2 ARG 38 2HB ARG 38 -4.426 4.551 -6.137
339 HB3 ARG 38 1HB ARG 38 -3.650 3.068 -6.681
340 HG2 ARG 38 2HG ARG 38 -5.517 1.785 -5.655
341 HG3 ARG 38 1HG ARG 38 -6.312 3.318 -5.296
342 HD2 ARG 38 2HD ARG 38 -5.591 2.251 -8.021
343 HD3 ARG 38 1HD ARG 38 -7.210 2.387 -7.334
344 HH11 ARG 38 1HH1 ARG 38 -8.185 2.777 -8.873
345 HH12 ARG 38 2HH1 ARG 38 -8.876 4.024 -9.867
346 HH21 ARG 38 1HH2 ARG 38 -6.560 6.476 -8.865
347 HH22 ARG 38 2HH2 ARG 38 -7.949 6.141 -9.854
348 H PHE 39 H PHE 39 -1.525 2.216 -4.108
349 HA PHE 39 HA PHE 39 0.362 4.160 -3.644
350 HD1 PHE 39 HD2 PHE 39 -1.076 0.653 -2.978
351 HD2 PHE 39 HD1 PHE 39 2.517 2.724 -2.028
352 HE1 PHE 39 HE2 PHE 39 -1.318 -0.022 -0.625
353 HE2 PHE 39 HE1 PHE 39 2.278 2.058 0.326
354 HZ PHE 39 HZ PHE 39 0.362 0.680 1.031
355 HB2 PHE 39 2HB PHE 39 0.430 1.361 -4.701
356 HB3 PHE 39 1HB PHE 39 1.920 2.248 -4.334
357 H LEU 40 H LEU 40 1.384 5.563 -4.885
358 HA LEU 40 HA LEU 40 0.866 5.545 -7.750
359 HG LEU 40 HG LEU 40 -0.097 7.340 -5.314
360 HB2 LEU 40 2HB LEU 40 2.265 7.633 -6.079
361 HB3 LEU 40 1HB LEU 40 1.667 7.825 -7.715
362 HD11 LEU 40 1HD1 LEU 40 0.504 9.912 -6.769
363 HD12 LEU 40 2HD1 LEU 40 1.062 9.488 -5.148
364 HD13 LEU 40 3HD1 LEU 40 -0.663 9.702 -5.459
365 HD21 LEU 40 3HD2 LEU 40 -0.731 8.159 -8.147
366 HD22 LEU 40 1HD2 LEU 40 -1.894 8.024 -6.829
367 HD23 LEU 40 2HD2 LEU 40 -1.064 6.587 -7.423
368 H LEU 41 H LEU 41 2.271 4.316 -8.866
369 HA LEU 41 HA LEU 41 5.111 4.424 -8.184
370 HG LEU 41 HG LEU 41 6.100 3.022 -10.759
371 HB2 LEU 41 2HB LEU 41 4.081 2.223 -8.656
372 HB3 LEU 41 1HB LEU 41 3.679 2.770 -10.273
373 HD11 LEU 41 1HD1 LEU 41 6.926 3.376 -8.507
374 HD12 LEU 41 2HD1 LEU 41 7.717 1.974 -9.231
375 HD13 LEU 41 3HD1 LEU 41 6.432 1.747 -8.046
376 HD21 LEU 41 3HD2 LEU 41 5.281 0.283 -9.805
377 HD22 LEU 41 1HD2 LEU 41 6.559 0.645 -10.965
378 HD23 LEU 41 2HD2 LEU 41 4.877 0.991 -11.370
379 HA PRO 42 HA PRO 42 5.128 7.795 -11.180
380 HB2 PRO 42 2HB PRO 42 7.767 8.445 -10.752
381 HB3 PRO 42 1HB PRO 42 6.421 9.064 -9.794
382 HG2 PRO 42 2HG PRO 42 8.343 6.875 -9.176
383 HG3 PRO 42 1HG PRO 42 7.603 8.064 -8.090
384 HD2 PRO 42 2HD PRO 42 6.776 5.476 -8.253
385 HD3 PRO 42 1HD PRO 42 5.693 6.814 -7.824
386 H ARG 43 H ARG 43 8.200 6.007 -10.916
387 HA ARG 43 HA ARG 43 7.901 5.195 -13.720
388 HE ARG 43 HE ARG 43 10.066 10.302 -14.192
389 HB2 ARG 43 2HB ARG 43 10.427 6.302 -12.473
390 HB3 ARG 43 1HB ARG 43 10.303 5.634 -14.095
391 HG2 ARG 43 2HG ARG 43 8.678 7.420 -14.648
392 HG3 ARG 43 1HG ARG 43 8.960 8.116 -13.051
393 HD2 ARG 43 2HD ARG 43 11.338 8.373 -13.599
394 HD3 ARG 43 1HD ARG 43 11.032 7.708 -15.204
395 HH11 ARG 43 1HH1 ARG 43 10.697 8.089 -16.836
396 HH12 ARG 43 2HH1 ARG 43 10.394 9.271 -18.074
397 HH21 ARG 43 1HH2 ARG 43 9.654 11.865 -15.817
398 HH22 ARG 43 2HH2 ARG 43 9.774 11.415 -17.494
399 H LYS 44 H LYS 44 9.320 3.362 -14.273
400 HA LYS 44 HA LYS 44 9.163 1.277 -12.410
401 HB2 LYS 44 2HB LYS 44 10.682 0.066 -14.005
402 HB3 LYS 44 1HB LYS 44 9.239 0.755 -14.738
403 HG2 LYS 44 2HG LYS 44 10.530 2.609 -15.609
404 HG3 LYS 44 1HG LYS 44 11.979 2.002 -14.804
405 HD2 LYS 44 2HD LYS 44 10.440 0.415 -16.852
406 HD3 LYS 44 1HD LYS 44 11.793 1.469 -17.266
407 HE2 LYS 44 2HE LYS 44 11.941 -0.824 -15.312
408 HE3 LYS 44 1HE LYS 44 12.426 -0.920 -17.005
409 HZ1 LYS 44 3HZ LYS 44 13.623 0.835 -14.928
410 HZ2 LYS 44 1HZ LYS 44 14.049 0.848 -16.569
411 HZ3 LYS 44 2HZ LYS 44 14.343 -0.530 -15.627
412 H SER 45 H SER 45 10.468 0.607 -10.820
413 HA SER 45 HA SER 45 13.220 1.592 -10.759
414 HG SER 45 HG SER 45 10.458 2.602 -8.124
415 HB2 SER 45 2HB SER 45 12.910 1.895 -8.243
416 HB3 SER 45 1HB SER 45 12.152 3.099 -9.284
417 H LEU 46 H LEU 46 11.407 -0.211 -8.328
418 HA LEU 46 HA LEU 46 13.280 -2.441 -8.748
419 HG LEU 46 HG LEU 46 12.399 -4.171 -6.443
420 HB2 LEU 46 2HB LEU 46 13.339 -1.304 -6.528
421 HB3 LEU 46 1HB LEU 46 11.671 -1.784 -6.279
422 HD11 LEU 46 1HD1 LEU 46 15.160 -2.963 -6.336
423 HD12 LEU 46 2HD1 LEU 46 14.461 -3.836 -7.701
424 HD13 LEU 46 3HD1 LEU 46 14.774 -4.677 -6.183
425 HD21 LEU 46 3HD2 LEU 46 13.365 -4.251 -4.207
426 HD22 LEU 46 1HD2 LEU 46 12.042 -3.086 -4.287
427 HD23 LEU 46 2HD2 LEU 46 13.712 -2.524 -4.287
428 HA PRO 47 HA PRO 47 9.918 -4.665 -10.573
429 HB2 PRO 47 2HB PRO 47 11.484 -6.999 -9.583
430 HB3 PRO 47 1HB PRO 47 10.851 -6.669 -11.200
431 HG2 PRO 47 2HG PRO 47 13.437 -6.357 -10.685
432 HG3 PRO 47 1HG PRO 47 12.576 -5.200 -11.718
433 HD2 PRO 47 2HD PRO 47 13.443 -4.925 -8.874
434 HD3 PRO 47 1HD PRO 47 13.422 -3.710 -10.168
435 H LYS 48 H LYS 48 11.108 -5.678 -7.367
436 HA LYS 48 HA LYS 48 8.791 -7.182 -6.731
437 HB2 LYS 48 2HB LYS 48 11.008 -7.460 -5.604
438 HB3 LYS 48 1HB LYS 48 10.734 -5.926 -4.785
439 HG2 LYS 48 2HG LYS 48 8.766 -6.830 -3.697
440 HG3 LYS 48 1HG LYS 48 8.968 -8.356 -4.555
441 HD2 LYS 48 2HD LYS 48 9.819 -8.630 -2.340
442 HD3 LYS 48 1HD LYS 48 11.189 -8.597 -3.450
443 HE2 LYS 48 2HE LYS 48 11.684 -6.323 -2.863
444 HE3 LYS 48 1HE LYS 48 10.213 -6.207 -1.896
445 HZ1 LYS 48 3HZ LYS 48 11.105 -7.881 -0.400
446 HZ2 LYS 48 1HZ LYS 48 12.157 -6.551 -0.506
447 HZ3 LYS 48 2HZ LYS 48 12.520 -7.989 -1.329
448 H VAL 49 H VAL 49 9.653 -3.809 -6.344
449 HA VAL 49 HA VAL 49 7.526 -3.153 -4.572
450 HB VAL 49 HB VAL 49 9.044 -1.338 -6.464
451 HG11 VAL 49 1HG1 VAL 49 7.310 -0.698 -4.079
452 HG12 VAL 49 2HG1 VAL 49 6.948 -0.338 -5.768
453 HG13 VAL 49 3HG1 VAL 49 8.295 0.465 -4.964
454 HG21 VAL 49 3HG2 VAL 49 9.491 -1.912 -3.533
455 HG22 VAL 49 1HG2 VAL 49 10.388 -0.752 -4.515
456 HG23 VAL 49 2HG2 VAL 49 10.504 -2.478 -4.861
457 H LYS 50 H LYS 50 7.943 -3.027 -8.088
458 HA LYS 50 HA LYS 50 5.437 -1.963 -8.763
459 HB2 LYS 50 2HB LYS 50 7.338 -2.322 -10.361
460 HB3 LYS 50 1HB LYS 50 6.986 -4.043 -10.328
461 HG2 LYS 50 2HG LYS 50 4.547 -2.974 -10.939
462 HG3 LYS 50 1HG LYS 50 5.655 -1.879 -11.767
463 HD2 LYS 50 2HD LYS 50 5.093 -3.621 -13.295
464 HD3 LYS 50 1HD LYS 50 6.755 -3.901 -12.767
465 HE2 LYS 50 2HE LYS 50 5.982 -5.565 -11.171
466 HE3 LYS 50 1HE LYS 50 4.310 -5.259 -11.636
467 HZ1 LYS 50 3HZ LYS 50 5.155 -7.232 -12.711
468 HZ2 LYS 50 1HZ LYS 50 6.435 -6.357 -13.400
469 HZ3 LYS 50 2HZ LYS 50 4.837 -6.034 -13.869
470 H GLN 51 H GLN 51 6.499 -5.313 -8.350
471 HA GLN 51 HA GLN 51 4.076 -6.588 -8.886
472 HB2 GLN 51 2HB GLN 51 6.230 -7.761 -8.706
473 HB3 GLN 51 1HB GLN 51 6.273 -7.423 -6.981
474 HG2 GLN 51 2HG GLN 51 5.579 -9.671 -7.239
475 HG3 GLN 51 1HG GLN 51 4.161 -8.746 -6.758
476 HE21 GLN 51 1HE2 GLN 51 4.357 -11.310 -8.118
477 HE22 GLN 51 2HE2 GLN 51 3.494 -11.126 -9.610
478 H ALA 52 H ALA 52 5.425 -5.400 -5.836
479 HA ALA 52 HA ALA 52 3.407 -6.229 -4.113
480 HB1 ALA 52 3HB ALA 52 5.071 -3.724 -3.916
481 HB2 ALA 52 1HB ALA 52 5.560 -5.326 -3.365
482 HB3 ALA 52 2HB ALA 52 4.200 -4.503 -2.596
483 H ILE 53 H ILE 53 3.750 -3.091 -5.780
484 HA ILE 53 HA ILE 53 1.400 -1.921 -4.831
485 HB ILE 53 HB ILE 53 2.813 -1.475 -7.468
486 HG12 ILE 53 2HG1 ILE 53 2.876 0.062 -4.857
487 HG13 ILE 53 1HG1 ILE 53 4.149 -0.999 -5.449
488 HG21 ILE 53 1HG2 ILE 53 1.601 0.650 -7.583
489 HG22 ILE 53 2HG2 ILE 53 0.687 0.203 -6.142
490 HG23 ILE 53 3HG2 ILE 53 0.502 -0.728 -7.627
491 HD11 ILE 53 3HD1 ILE 53 3.223 1.534 -6.782
492 HD12 ILE 53 1HD1 ILE 53 4.522 0.483 -7.340
493 HD13 ILE 53 2HD1 ILE 53 4.682 1.349 -5.811
494 H LEU 54 H LEU 54 1.921 -3.894 -7.743
495 HA LEU 54 HA LEU 54 -0.700 -3.711 -8.743
496 HG LEU 54 HG LEU 54 -0.293 -4.199 -11.140
497 HB2 LEU 54 2HB LEU 54 1.612 -5.504 -9.184
498 HB3 LEU 54 1HB LEU 54 0.044 -6.130 -9.652
499 HD11 LEU 54 1HD1 LEU 54 2.512 -3.420 -10.360
500 HD12 LEU 54 2HD1 LEU 54 1.040 -2.553 -9.923
501 HD13 LEU 54 3HD1 LEU 54 1.531 -2.659 -11.612
502 HD21 LEU 54 3HD2 LEU 54 2.296 -5.684 -11.564
503 HD22 LEU 54 1HD2 LEU 54 1.416 -4.796 -12.807
504 HD23 LEU 54 2HD2 LEU 54 0.686 -6.213 -12.054
505 H GLU 55 H GLU 55 0.773 -6.114 -6.565
506 HA GLU 55 HA GLU 55 -1.584 -7.685 -6.338
507 HB2 GLU 55 2HB GLU 55 0.750 -7.452 -4.427
508 HB3 GLU 55 1HB GLU 55 -0.477 -8.711 -4.390
509 HG2 GLU 55 2HG GLU 55 0.244 -9.333 -6.715
510 HG3 GLU 55 1HG GLU 55 1.598 -8.225 -6.507
511 H LEU 56 H LEU 56 -0.280 -4.968 -4.511
512 HA LEU 56 HA LEU 56 -2.185 -5.004 -2.432
513 HG LEU 56 HG LEU 56 0.809 -4.408 -2.445
514 HB2 LEU 56 2HB LEU 56 -0.575 -2.731 -3.588
515 HB3 LEU 56 1HB LEU 56 -1.581 -2.584 -2.159
516 HD11 LEU 56 1HD1 LEU 56 1.457 -2.081 -2.306
517 HD12 LEU 56 2HD1 LEU 56 1.839 -2.914 -0.800
518 HD13 LEU 56 3HD1 LEU 56 0.430 -1.858 -0.890
519 HD21 LEU 56 3HD2 LEU 56 -0.976 -3.859 -0.079
520 HD22 LEU 56 1HD2 LEU 56 0.515 -4.799 -0.042
521 HD23 LEU 56 2HD2 LEU 56 -0.866 -5.373 -0.979
522 H ASN 57 H ASN 57 -2.133 -3.310 -5.557
523 HA ASN 57 HA ASN 57 -4.574 -1.939 -5.218
524 HB2 ASN 57 2HB ASN 57 -2.995 -2.762 -7.639
525 HB3 ASN 57 1HB ASN 57 -4.587 -2.031 -7.823
526 HD21 ASN 57 1HD2 ASN 57 -2.367 -1.189 -5.250
527 HD22 ASN 57 2HD2 ASN 57 -2.013 0.401 -5.823
528 H GLU 58 H GLU 58 -3.829 -5.167 -6.379
529 HA GLU 58 HA GLU 58 -6.376 -5.962 -7.235
530 HB2 GLU 58 2HB GLU 58 -4.272 -7.271 -7.518
531 HB3 GLU 58 1HB GLU 58 -4.302 -7.634 -5.804
532 HG2 GLU 58 2HG GLU 58 -6.469 -8.775 -6.117
533 HG3 GLU 58 1HG GLU 58 -6.331 -8.488 -7.851
534 H LEU 59 H LEU 59 -4.813 -6.297 -4.092
535 HA LEU 59 HA LEU 59 -6.978 -7.357 -2.663
536 HG LEU 59 HG LEU 59 -6.443 -6.083 0.107
537 HB2 LEU 59 2HB LEU 59 -4.597 -7.324 -1.939
538 HB3 LEU 59 1HB LEU 59 -4.747 -5.607 -1.625
539 HD11 LEU 59 1HD1 LEU 59 -7.325 -8.169 -0.775
540 HD12 LEU 59 2HD1 LEU 59 -6.744 -8.394 0.877
541 HD13 LEU 59 3HD1 LEU 59 -5.777 -8.965 -0.483
542 HD21 LEU 59 3HD2 LEU 59 -4.898 -7.023 1.751
543 HD22 LEU 59 1HD2 LEU 59 -4.083 -5.851 0.712
544 HD23 LEU 59 2HD2 LEU 59 -3.844 -7.579 0.451
545 H ILE 60 H ILE 60 -6.010 -4.011 -3.271
546 HA ILE 60 HA ILE 60 -7.840 -2.697 -1.621
547 HB ILE 60 HB ILE 60 -6.758 -1.825 -4.306
548 HG12 ILE 60 2HG1 ILE 60 -5.925 -1.036 -1.507
549 HG13 ILE 60 1HG1 ILE 60 -5.081 -2.221 -2.498
550 HG21 ILE 60 1HG2 ILE 60 -8.808 -0.614 -3.789
551 HG22 ILE 60 2HG2 ILE 60 -7.407 0.447 -3.651
552 HG23 ILE 60 3HG2 ILE 60 -8.174 -0.193 -2.198
553 HD11 ILE 60 3HD1 ILE 60 -3.970 -0.066 -2.549
554 HD12 ILE 60 1HD1 ILE 60 -5.441 0.695 -3.158
555 HD13 ILE 60 2HD1 ILE 60 -4.588 -0.494 -4.145
556 H GLU 61 H GLU 61 -8.178 -3.550 -5.072
557 HA GLU 61 HA GLU 61 -10.826 -2.558 -5.245
558 HB2 GLU 61 2HB GLU 61 -9.307 -2.824 -7.199
559 HB3 GLU 61 1HB GLU 61 -9.494 -4.570 -7.066
560 HG2 GLU 61 2HG GLU 61 -11.855 -4.392 -7.517
561 HG3 GLU 61 1HG GLU 61 -11.748 -2.634 -7.531
562 H ALA 62 H ALA 62 -9.491 -5.696 -4.429
563 HA ALA 62 HA ALA 62 -11.778 -7.283 -4.659
564 HB1 ALA 62 3HB ALA 62 -10.740 -8.763 -3.030
565 HB2 ALA 62 1HB ALA 62 -9.621 -7.487 -2.554
566 HB3 ALA 62 2HB ALA 62 -9.535 -8.175 -4.174
567 H GLN 63 H GLN 63 -10.674 -5.232 -2.001
568 HA GLN 63 HA GLN 63 -13.020 -5.772 -0.402
569 HB2 GLN 63 2HB GLN 63 -10.789 -3.752 -0.085
570 HB3 GLN 63 1HB GLN 63 -12.050 -4.048 1.106
571 HG2 GLN 63 2HG GLN 63 -11.278 -6.307 1.423
572 HG3 GLN 63 1HG GLN 63 -10.092 -6.116 0.137
573 HE21 GLN 63 1HE2 GLN 63 -8.238 -4.962 0.511
574 HE22 GLN 63 2HE2 GLN 63 -7.733 -4.496 2.098
575 H ASN 64 H ASN 64 -11.871 -3.333 -2.602
576 HA ASN 64 HA ASN 64 -13.711 -1.272 -2.119
577 HB2 ASN 64 2HB ASN 64 -11.697 -1.022 -3.519
578 HB3 ASN 64 1HB ASN 64 -12.404 -2.093 -4.720
579 HD21 ASN 64 1HD2 ASN 64 -12.381 1.076 -3.381
580 HD22 ASN 64 2HD2 ASN 64 -13.388 1.806 -4.576
581 H HIS 65 H HIS 65 -13.886 -4.129 -4.161
582 HA HIS 65 HA HIS 65 -16.268 -3.587 -5.520
583 HD1 HIS 65 HD1 HIS 65 -17.324 -7.686 -4.963
584 HD2 HIS 65 HD2 HIS 65 -16.545 -5.164 -8.180
585 HE1 HIS 65 HE1 HIS 65 -18.912 -8.394 -6.781
586 HE2 HIS 65 HE2 HIS 65 -18.288 -6.982 -8.776
587 HB2 HIS 65 2HB HIS 65 -14.641 -5.415 -6.044
588 HB3 HIS 65 1HB HIS 65 -15.243 -6.297 -4.646
589 H GLN 66 H GLN 66 -15.669 -4.798 -2.309
590 HA GLN 66 HA GLN 66 -16.974 -5.073 -0.488
591 HB2 GLN 66 2HB GLN 66 -17.660 -2.773 -1.037
592 HB3 GLN 66 1HB GLN 66 -18.956 -3.404 -2.043
593 HG2 GLN 66 2HG GLN 66 -19.954 -4.451 -0.051
594 HG3 GLN 66 1HG GLN 66 -18.677 -3.738 0.936
595 HE21 GLN 66 1HE2 GLN 66 -20.131 -2.537 2.146
596 HE22 GLN 66 2HE2 GLN 66 -20.947 -1.154 1.508
597 H THR 67 H THR 67 -17.130 -7.313 -0.859
598 HA THR 67 HA THR 67 -19.875 -8.189 -1.153
599 HB THR 67 HB THR 67 -17.707 -9.404 -2.885
600 HG1 THR 67 HG1 THR 67 -19.333 -7.288 -3.285
601 HG21 THR 67 3HG2 THR 67 -19.533 -10.721 -3.852
602 HG22 THR 67 1HG2 THR 67 -20.669 -9.979 -2.726
603 HG23 THR 67 2HG2 THR 67 -19.388 -11.028 -2.121
604 H LYS 68 H LYS 68 -20.150 -9.236 0.691
605 HA LYS 68 HA LYS 68 -18.052 -10.531 2.121
606 HB2 LYS 68 2HB LYS 68 -20.125 -9.505 3.132
607 HB3 LYS 68 1HB LYS 68 -21.034 -10.871 2.504
608 HG2 LYS 68 2HG LYS 68 -19.951 -12.383 3.936
609 HG3 LYS 68 1HG LYS 68 -18.693 -11.217 4.350
610 HD2 LYS 68 2HD LYS 68 -21.616 -11.051 5.093
611 HD3 LYS 68 1HD LYS 68 -20.276 -11.421 6.182
612 HE2 LYS 68 2HE LYS 68 -19.319 -9.189 5.678
613 HE3 LYS 68 1HE LYS 68 -20.743 -8.829 4.705
614 HZ1 LYS 68 3HZ LYS 68 -22.048 -9.318 6.806
615 HZ2 LYS 68 1HZ LYS 68 -21.155 -7.875 6.776
616 HZ3 LYS 68 2HZ LYS 68 -20.573 -9.219 7.631
617 H THR 69 H THR 69 -17.337 -12.562 1.980
618 HA THR 69 HA THR 69 -18.052 -14.100 -0.285
619 HB THR 69 HB THR 69 -16.458 -15.805 0.839
620 HG1 THR 69 HG1 THR 69 -15.182 -14.936 2.484
621 HG21 THR 69 3HG2 THR 69 -14.515 -14.534 0.108
622 HG22 THR 69 1HG2 THR 69 -15.457 -13.044 0.136
623 HG23 THR 69 2HG2 THR 69 -15.850 -14.314 -1.023
624 H ALA 70 H ALA 70 -18.516 -16.429 -0.222
625 HA ALA 70 HA ALA 70 -20.854 -16.888 1.433
626 HB1 ALA 70 3HB ALA 70 -20.943 -17.361 -0.967
627 HB2 ALA 70 1HB ALA 70 -21.223 -18.822 -0.020
628 HB3 ALA 70 2HB ALA 70 -19.655 -18.551 -0.784
629 H LEU 71 H LEU 71 -20.616 -19.794 1.378
630 HA LEU 71 HA LEU 71 -19.217 -20.076 3.864
631 HG LEU 71 HG LEU 71 -19.006 -23.171 3.793
632 HB2 LEU 71 2HB LEU 71 -21.320 -21.259 3.432
633 HB3 LEU 71 1HB LEU 71 -20.561 -22.147 2.125
634 HD11 LEU 71 1HD1 LEU 71 -20.840 -21.863 5.798
635 HD12 LEU 71 2HD1 LEU 71 -19.147 -21.454 5.521
636 HD13 LEU 71 3HD1 LEU 71 -19.578 -23.040 6.161
637 HD21 LEU 71 3HD2 LEU 71 -20.676 -24.708 4.728
638 HD22 LEU 71 1HD2 LEU 71 -20.965 -24.373 3.021
639 HD23 LEU 71 2HD2 LEU 71 -21.956 -23.591 4.252
640 H GLU 72 H GLU 72 -17.069 -19.574 3.225
641 HA GLU 72 HA GLU 72 -15.703 -21.483 1.502
642 HB2 GLU 72 2HB GLU 72 -14.684 -19.050 2.979
643 HB3 GLU 72 1HB GLU 72 -13.707 -20.059 1.919
644 HG2 GLU 72 2HG GLU 72 -16.076 -18.371 1.161
645 HG3 GLU 72 1HG GLU 72 -14.392 -18.131 0.699
646 H HIS 73 H HIS 73 -16.766 -21.606 4.514
647 HA HIS 73 HA HIS 73 -14.384 -22.646 5.780
648 HD1 HIS 73 HD1 HIS 73 -17.026 -19.721 7.008
649 HD2 HIS 73 HD2 HIS 73 -13.766 -21.786 8.555
650 HE1 HIS 73 HE1 HIS 73 -15.638 -18.000 8.203
651 HE2 HIS 73 HE2 HIS 73 -13.557 -19.238 8.918
652 HB2 HIS 73 2HB HIS 73 -17.210 -22.216 6.700
653 HB3 HIS 73 1HB HIS 73 -16.101 -23.215 7.638
654 H HIS 74 H HIS 74 -13.798 -24.410 4.656
655 HA HIS 74 HA HIS 74 -15.534 -26.753 5.040
656 HD1 HIS 74 HD1 HIS 74 -16.931 -28.190 2.469
657 HD2 HIS 74 HD2 HIS 74 -15.887 -24.206 1.874
658 HE1 HIS 74 HE1 HIS 74 -18.886 -27.142 1.281
659 HE2 HIS 74 HE2 HIS 74 -18.167 -24.777 0.790
660 HB2 HIS 74 2HB HIS 74 -13.887 -26.074 2.599
661 HB3 HIS 74 1HB HIS 74 -14.473 -27.700 2.928
Start of MODEL 4
1 HA MET 1 HA MET 1 4.920 8.735 6.593
2 H1 MET 1 1H MET 1 5.111 10.863 7.579
3 H2 MET 1 2H MET 1 5.654 10.211 9.044
4 H3 MET 1 3H MET 1 4.057 9.950 8.543
5 HB2 MET 1 2HB MET 1 7.502 8.921 8.163
6 HB3 MET 1 1HB MET 1 7.245 7.927 6.739
7 HG2 MET 1 2HG MET 1 6.976 9.876 5.361
8 HG3 MET 1 1HG MET 1 7.055 10.928 6.775
9 HE1 MET 1 3HE MET 1 8.862 11.220 4.114
10 HE2 MET 1 1HE MET 1 10.416 11.636 4.837
11 HE3 MET 1 2HE MET 1 8.928 12.346 5.471
12 H ARG 2 H ARG 2 3.770 6.962 7.093
13 HA ARG 2 HA ARG 2 4.109 5.726 9.708
14 HE ARG 2 HE ARG 2 0.064 5.150 10.469
15 HB2 ARG 2 2HB ARG 2 1.832 5.986 8.784
16 HB3 ARG 2 1HB ARG 2 2.277 4.972 7.419
17 HG2 ARG 2 2HG ARG 2 2.601 3.077 8.896
18 HG3 ARG 2 1HG ARG 2 2.246 4.088 10.299
19 HD2 ARG 2 2HD ARG 2 0.335 3.547 8.032
20 HD3 ARG 2 1HD ARG 2 0.322 2.709 9.582
21 HH11 ARG 2 1HH1 ARG 2 -1.405 3.757 7.618
22 HH12 ARG 2 2HH1 ARG 2 -2.805 4.772 7.682
23 HH21 ARG 2 1HH2 ARG 2 -1.769 6.499 10.561
24 HH22 ARG 2 2HH2 ARG 2 -3.007 6.353 9.361
25 H VAL 3 H VAL 3 5.863 4.490 9.892
26 HA VAL 3 HA VAL 3 6.914 3.105 7.581
27 HB VAL 3 HB VAL 3 8.850 2.643 8.965
28 HG11 VAL 3 1HG1 VAL 3 8.727 4.842 7.897
29 HG12 VAL 3 2HG1 VAL 3 9.585 4.929 9.432
30 HG13 VAL 3 3HG1 VAL 3 7.918 5.488 9.320
31 HG21 VAL 3 3HG2 VAL 3 7.771 2.197 11.089
32 HG22 VAL 3 1HG2 VAL 3 7.295 3.891 11.223
33 HG23 VAL 3 2HG2 VAL 3 8.999 3.447 11.282
34 H PHE 4 H PHE 4 7.080 0.908 7.359
35 HA PHE 4 HA PHE 4 5.745 -0.752 9.398
36 HD1 PHE 4 HD2 PHE 4 3.881 1.147 6.811
37 HD2 PHE 4 HD1 PHE 4 3.278 -2.636 8.660
38 HE1 PHE 4 HE2 PHE 4 1.558 1.768 7.313
39 HE2 PHE 4 HE1 PHE 4 0.951 -2.019 9.166
40 HZ PHE 4 HZ PHE 4 0.090 0.188 8.494
41 HB2 PHE 4 2HB PHE 4 5.404 -0.739 6.420
42 HB3 PHE 4 1HB PHE 4 5.201 -2.243 7.306
43 HA PRO 5 HA PRO 5 9.840 -2.656 9.107
44 HB2 PRO 5 2HB PRO 5 8.927 -4.043 11.527
45 HB3 PRO 5 1HB PRO 5 10.330 -2.996 11.301
46 HG2 PRO 5 2HG PRO 5 8.186 -2.236 12.748
47 HG3 PRO 5 1HG PRO 5 9.144 -1.079 11.804
48 HD2 PRO 5 2HD PRO 5 6.507 -2.343 11.149
49 HD3 PRO 5 1HD PRO 5 7.048 -0.670 10.894
50 H VAL 6 H VAL 6 6.665 -3.976 9.405
51 HA VAL 6 HA VAL 6 7.584 -6.503 8.205
52 HB VAL 6 HB VAL 6 5.636 -7.614 9.237
53 HG11 VAL 6 1HG1 VAL 6 7.779 -7.741 10.355
54 HG12 VAL 6 2HG1 VAL 6 6.478 -7.655 11.542
55 HG13 VAL 6 3HG1 VAL 6 7.454 -6.227 11.199
56 HG21 VAL 6 3HG2 VAL 6 5.239 -4.985 10.664
57 HG22 VAL 6 1HG2 VAL 6 4.406 -6.493 11.049
58 HG23 VAL 6 2HG2 VAL 6 4.147 -5.716 9.487
59 H TYR 7 H TYR 7 6.126 -7.471 6.679
60 HA TYR 7 HA TYR 7 4.525 -5.443 5.285
61 HD1 TYR 7 HD1 TYR 7 3.312 -8.441 3.067
62 HD2 TYR 7 HD2 TYR 7 5.720 -4.998 2.406
63 HE1 TYR 7 HE1 TYR 7 2.062 -7.969 1.006
64 HE2 TYR 7 HE2 TYR 7 4.476 -4.518 0.343
65 HH TYR 7 HH TYR 7 3.121 -5.769 -1.318
66 HB2 TYR 7 2HB TYR 7 6.364 -6.626 4.042
67 HB3 TYR 7 1HB TYR 7 5.465 -8.124 4.237
68 H ALA 8 H ALA 8 2.524 -5.473 6.083
69 HA ALA 8 HA ALA 8 1.137 -8.069 6.252
70 HB1 ALA 8 3HB ALA 8 -0.341 -7.067 7.908
71 HB2 ALA 8 1HB ALA 8 0.516 -5.532 7.765
72 HB3 ALA 8 2HB ALA 8 1.342 -6.946 8.424
73 HA PRO 9 HA PRO 9 -0.451 -6.243 2.426
74 HB2 PRO 9 2HB PRO 9 -2.100 -8.718 2.579
75 HB3 PRO 9 1HB PRO 9 -1.159 -8.075 1.229
76 HG2 PRO 9 2HG PRO 9 -0.262 -10.145 2.627
77 HG3 PRO 9 1HG PRO 9 0.845 -8.877 2.072
78 HD2 PRO 9 2HD PRO 9 -0.258 -9.369 4.803
79 HD3 PRO 9 1HD PRO 9 1.350 -8.792 4.323
80 H LYS 10 H LYS 10 -2.880 -8.067 4.293
81 HA LYS 10 HA LYS 10 -5.016 -6.431 3.450
82 HB2 LYS 10 2HB LYS 10 -4.804 -8.392 5.735
83 HB3 LYS 10 1HB LYS 10 -6.305 -7.612 5.256
84 HG2 LYS 10 2HG LYS 10 -6.205 -8.655 3.083
85 HG3 LYS 10 1HG LYS 10 -4.631 -9.357 3.457
86 HD2 LYS 10 2HD LYS 10 -6.349 -11.037 3.709
87 HD3 LYS 10 1HD LYS 10 -5.679 -10.639 5.292
88 HE2 LYS 10 2HE LYS 10 -8.100 -10.846 5.402
89 HE3 LYS 10 1HE LYS 10 -7.598 -9.190 5.739
90 HZ1 LYS 10 3HZ LYS 10 -8.270 -8.515 3.580
91 HZ2 LYS 10 1HZ LYS 10 -9.551 -9.401 4.240
92 HZ3 LYS 10 2HZ LYS 10 -8.542 -10.110 3.075
93 H LEU 11 H LEU 11 -2.874 -6.246 6.210
94 HA LEU 11 HA LEU 11 -4.545 -4.509 7.736
95 HG LEU 11 HG LEU 11 -2.966 -7.070 8.535
96 HB2 LEU 11 2HB LEU 11 -1.606 -5.139 7.961
97 HB3 LEU 11 1HB LEU 11 -2.487 -4.144 9.106
98 HD11 LEU 11 1HD1 LEU 11 -2.232 -7.390 10.835
99 HD12 LEU 11 2HD1 LEU 11 -1.925 -5.659 10.984
100 HD13 LEU 11 3HD1 LEU 11 -0.971 -6.631 9.864
101 HD21 LEU 11 3HD2 LEU 11 -5.066 -5.907 9.000
102 HD22 LEU 11 1HD2 LEU 11 -4.369 -5.237 10.475
103 HD23 LEU 11 2HD2 LEU 11 -4.614 -6.977 10.327
104 H ILE 12 H ILE 12 -1.750 -3.980 5.598
105 HA ILE 12 HA ILE 12 -1.459 -1.234 6.096
106 HB ILE 12 HB ILE 12 -0.841 -2.784 3.574
107 HG12 ILE 12 2HG1 ILE 12 0.951 -1.851 5.833
108 HG13 ILE 12 1HG1 ILE 12 0.386 -3.502 5.607
109 HG21 ILE 12 1HG2 ILE 12 -1.070 -0.418 3.049
110 HG22 ILE 12 2HG2 ILE 12 0.628 -0.888 2.990
111 HG23 ILE 12 3HG2 ILE 12 0.007 0.001 4.380
112 HD11 ILE 12 3HD1 ILE 12 2.174 -1.968 3.735
113 HD12 ILE 12 1HD1 ILE 12 1.596 -3.614 3.483
114 HD13 ILE 12 2HD1 ILE 12 2.668 -3.254 4.838
115 H VAL 13 H VAL 13 -3.261 -2.896 3.514
116 HA VAL 13 HA VAL 13 -4.242 -0.559 2.295
117 HB VAL 13 HB VAL 13 -5.451 -3.328 2.273
118 HG11 VAL 13 1HG1 VAL 13 -5.882 -0.998 0.405
119 HG12 VAL 13 2HG1 VAL 13 -7.053 -1.645 1.553
120 HG13 VAL 13 3HG1 VAL 13 -6.525 -2.625 0.184
121 HG21 VAL 13 3HG2 VAL 13 -3.524 -2.018 0.357
122 HG22 VAL 13 1HG2 VAL 13 -4.260 -3.608 0.155
123 HG23 VAL 13 2HG2 VAL 13 -3.145 -3.315 1.488
124 H LYS 14 H LYS 14 -5.604 -2.638 4.820
125 HA LYS 14 HA LYS 14 -8.153 -1.442 4.904
126 HB2 LYS 14 2HB LYS 14 -7.626 -3.649 5.861
127 HB3 LYS 14 1HB LYS 14 -6.655 -2.874 7.102
128 HG2 LYS 14 2HG LYS 14 -8.520 -1.966 8.165
129 HG3 LYS 14 1HG LYS 14 -9.556 -2.223 6.758
130 HD2 LYS 14 2HD LYS 14 -9.386 -4.647 7.082
131 HD3 LYS 14 1HD LYS 14 -8.358 -4.386 8.492
132 HE2 LYS 14 2HE LYS 14 -10.134 -3.343 9.685
133 HE3 LYS 14 1HE LYS 14 -11.149 -3.290 8.246
134 HZ1 LYS 14 3HZ LYS 14 -11.699 -5.088 9.866
135 HZ2 LYS 14 1HZ LYS 14 -10.217 -5.821 9.491
136 HZ3 LYS 14 2HZ LYS 14 -11.401 -5.632 8.290
137 H HIS 15 H HIS 15 -5.102 -0.565 6.342
138 HA HIS 15 HA HIS 15 -6.340 1.495 7.985
139 HD1 HIS 15 HD1 HIS 15 -4.345 1.734 10.963
140 HD2 HIS 15 HD2 HIS 15 -5.037 -1.826 8.920
141 HE1 HIS 15 HE1 HIS 15 -4.910 0.028 12.732
142 HE2 HIS 15 HE2 HIS 15 -5.234 -2.139 11.483
143 HB2 HIS 15 2HB HIS 15 -3.537 0.445 7.702
144 HB3 HIS 15 1HB HIS 15 -3.864 1.948 8.549
145 H ALA 16 H ALA 16 -5.199 1.165 4.840
146 HA ALA 16 HA ALA 16 -4.361 3.936 4.571
147 HB1 ALA 16 3HB ALA 16 -3.181 2.214 3.294
148 HB2 ALA 16 1HB ALA 16 -3.954 3.386 2.224
149 HB3 ALA 16 2HB ALA 16 -4.681 1.796 2.465
150 H ARG 17 H ARG 17 -7.232 2.215 4.573
151 HA ARG 17 HA ARG 17 -8.734 3.319 2.513
152 HE ARG 17 HE ARG 17 -11.053 -0.178 4.205
153 HB2 ARG 17 2HB ARG 17 -9.490 1.422 3.832
154 HB3 ARG 17 1HB ARG 17 -9.617 2.436 5.263
155 HG2 ARG 17 2HG ARG 17 -11.432 3.672 4.297
156 HG3 ARG 17 1HG ARG 17 -11.238 2.831 2.757
157 HD2 ARG 17 2HD ARG 17 -12.047 1.588 5.385
158 HD3 ARG 17 1HD ARG 17 -13.105 1.904 4.007
159 HH11 ARG 17 1HH1 ARG 17 -13.592 1.387 2.370
160 HH12 ARG 17 2HH1 ARG 17 -13.676 0.128 1.174
161 HH21 ARG 17 1HH2 ARG 17 -11.165 -1.837 2.654
162 HH22 ARG 17 2HH2 ARG 17 -12.306 -1.716 1.351
163 H ILE 18 H ILE 18 -8.207 4.541 5.791
164 HA ILE 18 HA ILE 18 -9.864 6.880 5.218
165 HB ILE 18 HB ILE 18 -8.504 6.032 7.787
166 HG12 ILE 18 2HG1 ILE 18 -11.413 5.873 6.960
167 HG13 ILE 18 1HG1 ILE 18 -10.305 4.508 7.026
168 HG21 ILE 18 1HG2 ILE 18 -8.808 8.433 7.735
169 HG22 ILE 18 2HG2 ILE 18 -9.968 7.715 8.855
170 HG23 ILE 18 3HG2 ILE 18 -10.494 8.238 7.254
171 HD11 ILE 18 3HD1 ILE 18 -11.188 6.191 9.356
172 HD12 ILE 18 1HD1 ILE 18 -10.059 4.838 9.436
173 HD13 ILE 18 2HD1 ILE 18 -11.739 4.560 8.973
174 H PHE 19 H PHE 19 -6.563 5.944 5.613
175 HA PHE 19 HA PHE 19 -5.648 8.713 5.810
176 HD1 PHE 19 HD2 PHE 19 -4.308 9.243 8.173
177 HD2 PHE 19 HD1 PHE 19 -5.478 5.160 7.952
178 HE1 PHE 19 HE2 PHE 19 -5.109 9.348 10.495
179 HE2 PHE 19 HE1 PHE 19 -6.283 5.259 10.274
180 HZ PHE 19 HZ PHE 19 -6.098 7.356 11.548
181 HB2 PHE 19 2HB PHE 19 -4.173 6.108 6.229
182 HB3 PHE 19 1HB PHE 19 -3.459 7.711 6.408
183 H LEU 20 H LEU 20 -6.575 7.009 3.448
184 HA LEU 20 HA LEU 20 -4.917 6.265 1.560
185 HG LEU 20 HG LEU 20 -7.931 8.133 2.450
186 HB2 LEU 20 2HB LEU 20 -6.556 7.285 -0.099
187 HB3 LEU 20 1HB LEU 20 -7.159 6.141 1.080
188 HD11 LEU 20 1HD1 LEU 20 -7.370 9.595 -0.125
189 HD12 LEU 20 2HD1 LEU 20 -6.554 9.854 1.417
190 HD13 LEU 20 3HD1 LEU 20 -8.269 10.239 1.250
191 HD21 LEU 20 3HD2 LEU 20 -9.936 8.467 1.076
192 HD22 LEU 20 1HD2 LEU 20 -9.466 6.767 1.157
193 HD23 LEU 20 2HD2 LEU 20 -9.115 7.712 -0.290
194 H THR 21 H THR 21 -4.821 9.583 2.579
195 HA THR 21 HA THR 21 -3.079 10.108 0.269
196 HB THR 21 HB THR 21 -4.829 11.713 0.210
197 HG1 THR 21 HG1 THR 21 -3.255 13.061 -0.218
198 HG21 THR 21 3HG2 THR 21 -5.407 13.170 2.101
199 HG22 THR 21 1HG2 THR 21 -4.269 12.294 3.121
200 HG23 THR 21 2HG2 THR 21 -5.690 11.469 2.476
201 H GLY 22 H GLY 22 -1.088 9.463 0.939
202 HA2 GLY 22 2HA GLY 22 0.442 11.028 2.641
203 HA3 GLY 22 1HA GLY 22 -0.181 9.713 3.621
204 H VAL 23 H VAL 23 2.163 9.262 3.839
205 HA VAL 23 HA VAL 23 3.069 7.540 1.636
206 HB VAL 23 HB VAL 23 5.422 8.173 2.175
207 HG11 VAL 23 1HG1 VAL 23 5.382 10.303 0.976
208 HG12 VAL 23 2HG1 VAL 23 3.647 10.439 1.271
209 HG13 VAL 23 3HG1 VAL 23 4.271 9.139 0.255
210 HG21 VAL 23 3HG2 VAL 23 5.835 10.243 3.411
211 HG22 VAL 23 1HG2 VAL 23 5.060 9.032 4.430
212 HG23 VAL 23 2HG2 VAL 23 4.115 10.370 3.777
213 H ILE 24 H ILE 24 4.192 5.700 2.190
214 HA ILE 24 HA ILE 24 4.357 5.032 5.051
215 HB ILE 24 HB ILE 24 3.025 3.453 2.868
216 HG12 ILE 24 2HG1 ILE 24 2.252 4.107 5.721
217 HG13 ILE 24 1HG1 ILE 24 1.624 4.884 4.272
218 HG21 ILE 24 1HG2 ILE 24 4.648 1.926 3.815
219 HG22 ILE 24 2HG2 ILE 24 3.018 1.474 4.316
220 HG23 ILE 24 3HG2 ILE 24 4.087 2.308 5.443
221 HD11 ILE 24 3HD1 ILE 24 1.238 2.001 5.045
222 HD12 ILE 24 1HD1 ILE 24 0.617 2.769 3.583
223 HD13 ILE 24 2HD1 ILE 24 0.039 3.289 5.167
224 H TRP 25 H TRP 25 6.204 4.007 5.639
225 HA TRP 25 HA TRP 25 8.079 3.358 3.460
226 HD1 TRP 25 HD1 TRP 25 7.096 6.204 4.340
227 HE1 TRP 25 HE1 TRP 25 8.245 8.329 3.436
228 HE3 TRP 25 HE3 TRP 25 11.973 4.822 4.994
229 HZ2 TRP 25 HZ2 TRP 25 10.877 9.276 3.041
230 HZ3 TRP 25 HZ3 TRP 25 13.747 6.394 4.330
231 HH2 TRP 25 HH2 TRP 25 13.208 8.573 3.374
232 HB2 TRP 25 2HB TRP 25 8.591 4.303 6.271
233 HB3 TRP 25 1HB TRP 25 9.856 3.649 5.242
234 H VAL 26 H VAL 26 7.563 1.247 3.157
235 HA VAL 26 HA VAL 26 7.619 -0.606 5.399
236 HB VAL 26 HB VAL 26 7.568 -1.397 2.497
237 HG11 VAL 26 1HG1 VAL 26 6.380 -3.358 3.319
238 HG12 VAL 26 2HG1 VAL 26 6.458 -2.724 4.961
239 HG13 VAL 26 3HG1 VAL 26 7.940 -3.176 4.120
240 HG21 VAL 26 3HG2 VAL 26 5.198 -0.622 4.191
241 HG22 VAL 26 1HG2 VAL 26 5.111 -1.371 2.595
242 HG23 VAL 26 2HG2 VAL 26 5.799 0.244 2.776
243 H LYS 27 H LYS 27 9.184 -2.263 5.621
244 HA LYS 27 HA LYS 27 11.842 -1.453 5.062
245 HB2 LYS 27 2HB LYS 27 10.679 -4.013 6.156
246 HB3 LYS 27 1HB LYS 27 12.405 -3.766 5.961
247 HG2 LYS 27 2HG LYS 27 10.565 -2.124 7.681
248 HG3 LYS 27 1HG LYS 27 11.723 -3.333 8.241
249 HD2 LYS 27 2HD LYS 27 13.540 -1.977 7.245
250 HD3 LYS 27 1HD LYS 27 12.345 -0.744 6.832
251 HE2 LYS 27 2HE LYS 27 11.787 -0.502 9.207
252 HE3 LYS 27 1HE LYS 27 12.997 -1.722 9.610
253 HZ1 LYS 27 3HZ LYS 27 13.526 0.902 8.319
254 HZ2 LYS 27 1HZ LYS 27 14.698 -0.279 8.657
255 HZ3 LYS 27 2HZ LYS 27 13.881 0.494 9.931
256 H ASP 28 H ASP 28 9.570 -3.391 3.384
257 HA ASP 28 HA ASP 28 11.544 -4.806 1.817
258 HB2 ASP 28 2HB ASP 28 9.484 -5.948 2.504
259 HB3 ASP 28 1HB ASP 28 8.524 -4.752 1.637
260 H LEU 29 H LEU 29 8.991 -2.410 1.209
261 HA LEU 29 HA LEU 29 9.856 -2.143 -1.551
262 HG LEU 29 HG LEU 29 7.234 -3.304 -0.315
263 HB2 LEU 29 2HB LEU 29 7.544 -0.871 -0.087
264 HB3 LEU 29 1HB LEU 29 7.842 -0.750 -1.812
265 HD11 LEU 29 1HD1 LEU 29 5.300 -1.832 -0.467
266 HD12 LEU 29 2HD1 LEU 29 5.110 -3.243 -1.509
267 HD13 LEU 29 3HD1 LEU 29 5.541 -1.682 -2.208
268 HD21 LEU 29 3HD2 LEU 29 7.108 -4.337 -2.501
269 HD22 LEU 29 1HD2 LEU 29 8.708 -3.636 -2.249
270 HD23 LEU 29 2HD2 LEU 29 7.533 -2.810 -3.270
271 H GLY 30 H GLY 30 10.343 -0.532 1.417
272 HA2 GLY 30 2HA GLY 30 11.968 1.136 1.721
273 HA3 GLY 30 1HA GLY 30 11.862 1.520 0.012
274 H ARG 31 H ARG 31 9.962 2.692 -0.720
275 HA ARG 31 HA ARG 31 8.612 4.255 1.359
276 HE ARG 31 HE ARG 31 9.159 7.280 -2.097
277 HB2 ARG 31 2HB ARG 31 10.680 5.472 0.618
278 HB3 ARG 31 1HB ARG 31 10.008 5.527 -1.005
279 HG2 ARG 31 2HG ARG 31 8.020 6.724 0.004
280 HG3 ARG 31 1HG ARG 31 8.992 6.887 1.469
281 HD2 ARG 31 2HD ARG 31 9.302 8.888 0.250
282 HD3 ARG 31 1HD ARG 31 10.774 7.941 0.021
283 HH11 ARG 31 1HH1 ARG 31 10.603 10.202 -0.839
284 HH12 ARG 31 2HH1 ARG 31 10.565 11.030 -2.367
285 HH21 ARG 31 1HH2 ARG 31 9.123 8.368 -4.123
286 HH22 ARG 31 2HH2 ARG 31 9.729 9.984 -4.227
287 H LEU 32 H LEU 32 6.499 4.350 0.930
288 HA LEU 32 HA LEU 32 5.633 4.027 -1.872
289 HG LEU 32 HG LEU 32 6.006 1.601 0.097
290 HB2 LEU 32 2HB LEU 32 4.204 3.177 0.650
291 HB3 LEU 32 1HB LEU 32 3.570 3.021 -0.976
292 HD11 LEU 32 1HD1 LEU 32 3.245 0.581 -0.550
293 HD12 LEU 32 2HD1 LEU 32 3.926 0.774 1.064
294 HD13 LEU 32 3HD1 LEU 32 4.619 -0.403 -0.051
295 HD21 LEU 32 3HD2 LEU 32 4.600 1.344 -2.558
296 HD22 LEU 32 1HD2 LEU 32 5.960 0.370 -2.004
297 HD23 LEU 32 2HD2 LEU 32 6.172 2.095 -2.296
298 H GLU 33 H GLU 33 4.434 5.602 -2.705
299 HA GLU 33 HA GLU 33 3.205 7.557 -0.877
300 HB2 GLU 33 2HB GLU 33 4.041 7.988 -3.758
301 HB3 GLU 33 1HB GLU 33 3.422 9.209 -2.655
302 HG2 GLU 33 2HG GLU 33 5.423 8.864 -1.231
303 HG3 GLU 33 1HG GLU 33 6.047 7.752 -2.446
304 H PHE 34 H PHE 34 1.026 7.758 -0.981
305 HA PHE 34 HA PHE 34 -0.370 6.594 -3.274
306 HD1 PHE 34 HD1 PHE 34 1.287 5.108 0.074
307 HD2 PHE 34 HD2 PHE 34 -2.793 6.283 0.327
308 HE1 PHE 34 HE1 PHE 34 1.487 5.278 2.516
309 HE2 PHE 34 HE2 PHE 34 -2.598 6.454 2.771
310 HZ PHE 34 HZ PHE 34 -0.455 5.949 3.869
311 HB2 PHE 34 2HB PHE 34 -1.928 5.397 -1.695
312 HB3 PHE 34 1HB PHE 34 -0.307 4.728 -1.779
313 H GLU 35 H GLU 35 -2.303 7.486 -3.753
314 HA GLU 35 HA GLU 35 -3.463 9.375 -1.838
315 HB2 GLU 35 2HB GLU 35 -2.884 9.876 -4.735
316 HB3 GLU 35 1HB GLU 35 -4.223 10.688 -3.937
317 HG2 GLU 35 2HG GLU 35 -2.441 11.334 -2.177
318 HG3 GLU 35 1HG GLU 35 -1.308 10.951 -3.467
319 H LYS 36 H LYS 36 -5.470 8.974 -1.417
320 HA LYS 36 HA LYS 36 -7.643 8.347 -1.578
321 HB2 LYS 36 2HB LYS 36 -7.133 8.180 -4.557
322 HB3 LYS 36 1HB LYS 36 -8.703 8.268 -3.773
323 HG2 LYS 36 2HG LYS 36 -8.188 10.502 -2.950
324 HG3 LYS 36 1HG LYS 36 -6.583 10.412 -3.685
325 HD2 LYS 36 2HD LYS 36 -9.001 9.999 -5.390
326 HD3 LYS 36 1HD LYS 36 -8.558 11.634 -4.908
327 HE2 LYS 36 2HE LYS 36 -7.583 11.129 -7.061
328 HE3 LYS 36 1HE LYS 36 -6.311 11.283 -5.853
329 HZ1 LYS 36 3HZ LYS 36 -6.155 8.888 -5.743
330 HZ2 LYS 36 1HZ LYS 36 -5.948 9.406 -7.340
331 HZ3 LYS 36 2HZ LYS 36 -7.419 8.712 -6.856
332 H GLY 37 H GLY 37 -5.342 6.446 -1.430
333 HA2 GLY 37 2HA GLY 37 -5.572 4.177 -0.775
334 HA3 GLY 37 1HA GLY 37 -6.932 4.024 -1.881
335 H ARG 38 H ARG 38 -5.217 5.502 -3.943
336 HA ARG 38 HA ARG 38 -4.146 3.031 -5.044
337 HE ARG 38 HE ARG 38 -6.302 4.406 -8.215
338 HB2 ARG 38 2HB ARG 38 -5.549 4.652 -6.394
339 HB3 ARG 38 1HB ARG 38 -4.188 5.763 -6.339
340 HG2 ARG 38 2HG ARG 38 -2.791 4.092 -7.472
341 HG3 ARG 38 1HG ARG 38 -4.183 3.011 -7.564
342 HD2 ARG 38 2HD ARG 38 -3.867 5.708 -8.873
343 HD3 ARG 38 1HD ARG 38 -3.955 4.135 -9.667
344 HH11 ARG 38 1HH1 ARG 38 -4.697 5.976 -10.895
345 HH12 ARG 38 2HH1 ARG 38 -6.159 6.620 -11.579
346 HH21 ARG 38 1HH2 ARG 38 -8.242 5.249 -9.096
347 HH22 ARG 38 2HH2 ARG 38 -8.180 6.236 -10.528
348 H PHE 39 H PHE 39 -2.396 2.519 -4.113
349 HA PHE 39 HA PHE 39 -0.124 3.958 -3.528
350 HD1 PHE 39 HD2 PHE 39 1.578 2.476 -1.847
351 HD2 PHE 39 HD1 PHE 39 -2.114 0.559 -2.740
352 HE1 PHE 39 HE2 PHE 39 1.265 1.974 0.543
353 HE2 PHE 39 HE1 PHE 39 -2.436 0.054 -0.353
354 HZ PHE 39 HZ PHE 39 -0.744 0.760 1.292
355 HB2 PHE 39 2HB PHE 39 -0.688 1.180 -4.471
356 HB3 PHE 39 1HB PHE 39 0.978 1.688 -4.169
357 H LEU 40 H LEU 40 1.248 5.099 -4.745
358 HA LEU 40 HA LEU 40 1.041 4.889 -7.655
359 HG LEU 40 HG LEU 40 0.039 7.078 -5.568
360 HB2 LEU 40 2HB LEU 40 2.481 6.944 -5.975
361 HB3 LEU 40 1HB LEU 40 2.180 7.034 -7.699
362 HD11 LEU 40 1HD1 LEU 40 -0.184 9.437 -6.105
363 HD12 LEU 40 2HD1 LEU 40 1.161 9.320 -7.239
364 HD13 LEU 40 3HD1 LEU 40 1.439 9.076 -5.514
365 HD21 LEU 40 3HD2 LEU 40 -1.433 7.755 -7.411
366 HD22 LEU 40 1HD2 LEU 40 -0.759 6.142 -7.661
367 HD23 LEU 40 2HD2 LEU 40 -0.103 7.518 -8.549
368 H LEU 41 H LEU 41 2.584 3.997 -8.849
369 HA LEU 41 HA LEU 41 4.917 2.845 -7.679
370 HG LEU 41 HG LEU 41 6.532 2.612 -10.290
371 HB2 LEU 41 2HB LEU 41 3.720 1.792 -9.549
372 HB3 LEU 41 1HB LEU 41 4.103 3.161 -10.573
373 HD11 LEU 41 1HD1 LEU 41 6.361 1.344 -8.208
374 HD12 LEU 41 2HD1 LEU 41 7.124 0.389 -9.479
375 HD13 LEU 41 3HD1 LEU 41 5.440 0.091 -9.042
376 HD21 LEU 41 3HD2 LEU 41 4.757 0.492 -11.483
377 HD22 LEU 41 1HD2 LEU 41 6.473 0.697 -11.827
378 HD23 LEU 41 2HD2 LEU 41 5.326 1.956 -12.284
379 HA PRO 42 HA PRO 42 7.412 6.548 -8.158
380 HB2 PRO 42 2HB PRO 42 9.608 4.857 -7.260
381 HB3 PRO 42 1HB PRO 42 8.883 6.252 -6.463
382 HG2 PRO 42 2HG PRO 42 8.611 3.680 -5.581
383 HG3 PRO 42 1HG PRO 42 7.441 4.967 -5.254
384 HD2 PRO 42 2HD PRO 42 7.282 2.720 -7.201
385 HD3 PRO 42 1HD PRO 42 5.994 3.529 -6.296
386 H ARG 43 H ARG 43 7.159 6.239 -10.499
387 HA ARG 43 HA ARG 43 8.083 6.292 -12.566
388 HE ARG 43 HE ARG 43 10.644 8.832 -12.484
389 HB2 ARG 43 2HB ARG 43 10.025 7.322 -11.426
390 HB3 ARG 43 1HB ARG 43 10.703 5.720 -11.174
391 HG2 ARG 43 2HG ARG 43 11.827 6.594 -13.035
392 HG3 ARG 43 1HG ARG 43 10.652 5.453 -13.693
393 HD2 ARG 43 2HD ARG 43 10.674 7.496 -15.009
394 HD3 ARG 43 1HD ARG 43 9.127 7.319 -14.176
395 HH11 ARG 43 1HH1 ARG 43 9.628 9.148 -15.826
396 HH12 ARG 43 2HH1 ARG 43 9.695 10.887 -15.802
397 HH21 ARG 43 1HH2 ARG 43 10.712 11.104 -12.450
398 HH22 ARG 43 2HH2 ARG 43 10.255 11.999 -13.873
399 H LYS 44 H LYS 44 10.302 3.927 -11.185
400 HA LYS 44 HA LYS 44 9.074 1.778 -12.736
401 HB2 LYS 44 2HB LYS 44 10.687 2.698 -14.284
402 HB3 LYS 44 1HB LYS 44 11.933 2.717 -13.044
403 HG2 LYS 44 2HG LYS 44 11.845 0.246 -12.979
404 HG3 LYS 44 1HG LYS 44 10.694 0.289 -14.319
405 HD2 LYS 44 2HD LYS 44 12.313 1.312 -15.757
406 HD3 LYS 44 1HD LYS 44 13.440 1.521 -14.417
407 HE2 LYS 44 2HE LYS 44 12.506 -1.102 -15.571
408 HE3 LYS 44 1HE LYS 44 14.092 -0.368 -15.807
409 HZ1 LYS 44 3HZ LYS 44 14.349 -1.965 -14.124
410 HZ2 LYS 44 1HZ LYS 44 12.947 -1.473 -13.307
411 HZ3 LYS 44 2HZ LYS 44 14.318 -0.475 -13.314
412 H SER 45 H SER 45 11.601 2.826 -10.537
413 HA SER 45 HA SER 45 12.550 1.987 -8.697
414 HG SER 45 HG SER 45 9.534 0.482 -9.409
415 HB2 SER 45 2HB SER 45 11.095 0.725 -7.120
416 HB3 SER 45 1HB SER 45 10.356 2.206 -7.732
417 H LEU 46 H LEU 46 10.764 -1.014 -8.935
418 HA LEU 46 HA LEU 46 12.928 -2.486 -10.123
419 HG LEU 46 HG LEU 46 14.498 -3.967 -9.088
420 HB2 LEU 46 2HB LEU 46 13.588 -1.919 -7.684
421 HB3 LEU 46 1HB LEU 46 12.341 -3.055 -7.220
422 HD11 LEU 46 1HD1 LEU 46 14.768 -3.716 -6.092
423 HD12 LEU 46 2HD1 LEU 46 15.709 -2.843 -7.301
424 HD13 LEU 46 3HD1 LEU 46 15.873 -4.592 -7.150
425 HD21 LEU 46 3HD2 LEU 46 12.980 -5.317 -6.857
426 HD22 LEU 46 1HD2 LEU 46 14.120 -6.090 -7.958
427 HD23 LEU 46 2HD2 LEU 46 12.601 -5.439 -8.576
428 HA PRO 47 HA PRO 47 9.553 -5.022 -11.413
429 HB2 PRO 47 2HB PRO 47 11.423 -7.257 -10.733
430 HB3 PRO 47 1HB PRO 47 10.454 -7.005 -12.191
431 HG2 PRO 47 2HG PRO 47 13.053 -6.467 -12.203
432 HG3 PRO 47 1HG PRO 47 11.907 -5.400 -13.036
433 HD2 PRO 47 2HD PRO 47 13.363 -4.987 -10.474
434 HD3 PRO 47 1HD PRO 47 12.852 -3.799 -11.691
435 H LYS 48 H LYS 48 11.300 -6.394 -8.618
436 HA LYS 48 HA LYS 48 9.197 -7.885 -7.554
437 HB2 LYS 48 2HB LYS 48 11.523 -8.138 -6.829
438 HB3 LYS 48 1HB LYS 48 11.482 -6.534 -6.110
439 HG2 LYS 48 2HG LYS 48 9.663 -7.347 -4.600
440 HG3 LYS 48 1HG LYS 48 9.955 -8.969 -5.234
441 HD2 LYS 48 2HD LYS 48 12.234 -8.914 -4.443
442 HD3 LYS 48 1HD LYS 48 12.044 -7.242 -3.914
443 HE2 LYS 48 2HE LYS 48 10.673 -9.682 -2.803
444 HE3 LYS 48 1HE LYS 48 11.868 -8.667 -1.998
445 HZ1 LYS 48 3HZ LYS 48 9.039 -8.077 -2.583
446 HZ2 LYS 48 1HZ LYS 48 10.155 -6.813 -2.378
447 HZ3 LYS 48 2HZ LYS 48 9.893 -7.915 -1.123
448 H VAL 49 H VAL 49 10.136 -4.536 -7.001
449 HA VAL 49 HA VAL 49 8.254 -3.977 -4.963
450 HB VAL 49 HB VAL 49 9.635 -2.093 -6.888
451 HG11 VAL 49 1HG1 VAL 49 8.264 -1.489 -4.271
452 HG12 VAL 49 2HG1 VAL 49 7.660 -1.060 -5.872
453 HG13 VAL 49 3HG1 VAL 49 9.150 -0.336 -5.268
454 HG21 VAL 49 3HG2 VAL 49 11.176 -1.702 -4.996
455 HG22 VAL 49 1HG2 VAL 49 11.224 -3.363 -5.585
456 HG23 VAL 49 2HG2 VAL 49 10.358 -2.982 -4.098
457 H LYS 50 H LYS 50 8.238 -3.486 -8.479
458 HA LYS 50 HA LYS 50 5.707 -2.333 -8.733
459 HB2 LYS 50 2HB LYS 50 7.158 -4.211 -10.601
460 HB3 LYS 50 1HB LYS 50 5.712 -3.310 -11.031
461 HG2 LYS 50 2HG LYS 50 6.908 -1.216 -10.671
462 HG3 LYS 50 1HG LYS 50 8.362 -2.120 -10.239
463 HD2 LYS 50 2HD LYS 50 8.489 -1.389 -12.548
464 HD3 LYS 50 1HD LYS 50 8.363 -3.147 -12.474
465 HE2 LYS 50 2HE LYS 50 5.940 -2.957 -12.912
466 HE3 LYS 50 1HE LYS 50 6.124 -1.212 -13.065
467 HZ1 LYS 50 3HZ LYS 50 7.594 -1.554 -14.939
468 HZ2 LYS 50 1HZ LYS 50 6.105 -2.317 -15.221
469 HZ3 LYS 50 2HZ LYS 50 7.462 -3.235 -14.776
470 H GLN 51 H GLN 51 6.691 -5.727 -8.690
471 HA GLN 51 HA GLN 51 4.234 -6.942 -9.123
472 HB2 GLN 51 2HB GLN 51 6.300 -8.199 -9.120
473 HB3 GLN 51 1HB GLN 51 6.568 -7.829 -7.423
474 HG2 GLN 51 2HG GLN 51 4.481 -9.089 -6.898
475 HG3 GLN 51 1HG GLN 51 4.430 -9.587 -8.590
476 HE21 GLN 51 1HE2 GLN 51 4.747 -11.152 -6.126
477 HE22 GLN 51 2HE2 GLN 51 6.229 -12.035 -6.313
478 H ALA 52 H ALA 52 5.695 -5.840 -6.087
479 HA ALA 52 HA ALA 52 3.589 -6.738 -4.415
480 HB1 ALA 52 3HB ALA 52 5.601 -4.548 -3.912
481 HB2 ALA 52 1HB ALA 52 5.827 -6.259 -3.551
482 HB3 ALA 52 2HB ALA 52 4.593 -5.333 -2.695
483 H ILE 53 H ILE 53 4.256 -3.659 -6.031
484 HA ILE 53 HA ILE 53 2.116 -2.181 -4.972
485 HB ILE 53 HB ILE 53 3.423 -1.988 -7.694
486 HG12 ILE 53 2HG1 ILE 53 4.949 -1.589 -5.814
487 HG13 ILE 53 1HG1 ILE 53 4.649 -0.102 -6.704
488 HG21 ILE 53 1HG2 ILE 53 2.473 0.286 -7.800
489 HG22 ILE 53 2HG2 ILE 53 1.564 -0.042 -6.325
490 HG23 ILE 53 3HG2 ILE 53 1.228 -0.964 -7.790
491 HD11 ILE 53 3HD1 ILE 53 3.308 -0.873 -4.124
492 HD12 ILE 53 1HD1 ILE 53 3.120 0.649 -4.996
493 HD13 ILE 53 2HD1 ILE 53 4.676 0.229 -4.278
494 H LEU 54 H LEU 54 2.321 -4.161 -7.916
495 HA LEU 54 HA LEU 54 -0.338 -3.861 -8.761
496 HG LEU 54 HG LEU 54 2.570 -4.280 -10.003
497 HB2 LEU 54 2HB LEU 54 1.444 -6.279 -9.106
498 HB3 LEU 54 1HB LEU 54 0.023 -5.900 -10.060
499 HD11 LEU 54 1HD1 LEU 54 1.466 -6.127 -12.115
500 HD12 LEU 54 2HD1 LEU 54 2.871 -6.436 -11.096
501 HD13 LEU 54 3HD1 LEU 54 2.908 -5.122 -12.272
502 HD21 LEU 54 3HD2 LEU 54 0.096 -4.000 -11.703
503 HD22 LEU 54 1HD2 LEU 54 1.588 -3.076 -11.895
504 HD23 LEU 54 2HD2 LEU 54 0.617 -2.894 -10.431
505 H GLU 55 H GLU 55 1.180 -6.134 -6.543
506 HA GLU 55 HA GLU 55 -1.031 -7.809 -6.097
507 HB2 GLU 55 2HB GLU 55 1.272 -8.390 -5.469
508 HB3 GLU 55 1HB GLU 55 1.267 -7.121 -4.254
509 HG2 GLU 55 2HG GLU 55 -0.286 -8.275 -2.915
510 HG3 GLU 55 1HG GLU 55 -0.674 -9.408 -4.209
511 H LEU 56 H LEU 56 0.090 -4.895 -4.414
512 HA LEU 56 HA LEU 56 -1.958 -4.830 -2.483
513 HG LEU 56 HG LEU 56 0.977 -4.213 -2.248
514 HB2 LEU 56 2HB LEU 56 -0.278 -2.632 -3.672
515 HB3 LEU 56 1HB LEU 56 -1.411 -2.368 -2.362
516 HD11 LEU 56 1HD1 LEU 56 1.639 -1.873 -2.329
517 HD12 LEU 56 2HD1 LEU 56 1.917 -2.551 -0.725
518 HD13 LEU 56 3HD1 LEU 56 0.528 -1.501 -1.011
519 HD21 LEU 56 3HD2 LEU 56 -0.978 -3.362 -0.112
520 HD22 LEU 56 1HD2 LEU 56 0.466 -4.343 0.140
521 HD23 LEU 56 2HD2 LEU 56 -0.863 -4.966 -0.837
522 H ASN 57 H ASN 57 -1.710 -3.300 -5.689
523 HA ASN 57 HA ASN 57 -4.147 -1.908 -5.599
524 HB2 ASN 57 2HB ASN 57 -2.504 -2.970 -7.884
525 HB3 ASN 57 1HB ASN 57 -4.056 -2.199 -8.177
526 HD21 ASN 57 1HD2 ASN 57 -1.812 -1.247 -5.641
527 HD22 ASN 57 2HD2 ASN 57 -1.406 0.284 -6.330
528 H GLU 58 H GLU 58 -3.390 -5.186 -6.662
529 HA GLU 58 HA GLU 58 -5.914 -6.014 -7.536
530 HB2 GLU 58 2HB GLU 58 -3.812 -7.303 -7.798
531 HB3 GLU 58 1HB GLU 58 -3.795 -7.610 -6.075
532 HG2 GLU 58 2HG GLU 58 -4.603 -9.565 -7.090
533 HG3 GLU 58 1HG GLU 58 -5.998 -8.774 -6.363
534 H LEU 59 H LEU 59 -4.387 -6.303 -4.371
535 HA LEU 59 HA LEU 59 -6.492 -7.488 -2.987
536 HG LEU 59 HG LEU 59 -6.144 -6.051 -0.244
537 HB2 LEU 59 2HB LEU 59 -4.181 -7.307 -2.166
538 HB3 LEU 59 1HB LEU 59 -4.404 -5.585 -1.934
539 HD11 LEU 59 1HD1 LEU 59 -6.882 -8.228 -1.062
540 HD12 LEU 59 2HD1 LEU 59 -6.400 -8.313 0.632
541 HD13 LEU 59 3HD1 LEU 59 -5.324 -8.927 -0.623
542 HD21 LEU 59 3HD2 LEU 59 -3.479 -7.369 0.241
543 HD22 LEU 59 1HD2 LEU 59 -4.614 -6.861 1.493
544 HD23 LEU 59 2HD2 LEU 59 -3.855 -5.658 0.451
545 H ILE 60 H ILE 60 -5.722 -4.035 -3.385
546 HA ILE 60 HA ILE 60 -7.721 -2.961 -1.754
547 HB ILE 60 HB ILE 60 -6.629 -1.807 -4.333
548 HG12 ILE 60 2HG1 ILE 60 -5.777 -1.255 -1.484
549 HG13 ILE 60 1HG1 ILE 60 -4.943 -2.374 -2.556
550 HG21 ILE 60 1HG2 ILE 60 -8.714 -0.732 -3.634
551 HG22 ILE 60 2HG2 ILE 60 -7.339 0.358 -3.445
552 HG23 ILE 60 3HG2 ILE 60 -8.030 -0.444 -2.035
553 HD11 ILE 60 3HD1 ILE 60 -4.430 -0.561 -4.079
554 HD12 ILE 60 1HD1 ILE 60 -3.840 -0.199 -2.458
555 HD13 ILE 60 2HD1 ILE 60 -5.311 0.571 -3.056
556 H GLU 61 H GLU 61 -7.792 -3.635 -5.238
557 HA GLU 61 HA GLU 61 -10.463 -2.761 -5.625
558 HB2 GLU 61 2HB GLU 61 -8.589 -2.988 -7.344
559 HB3 GLU 61 1HB GLU 61 -8.950 -4.708 -7.364
560 HG2 GLU 61 2HG GLU 61 -11.171 -4.282 -8.165
561 HG3 GLU 61 1HG GLU 61 -10.934 -2.541 -8.008
562 H ALA 62 H ALA 62 -9.050 -5.766 -4.609
563 HA ALA 62 HA ALA 62 -11.415 -7.341 -5.055
564 HB1 ALA 62 3HB ALA 62 -10.242 -9.103 -3.877
565 HB2 ALA 62 1HB ALA 62 -9.010 -7.958 -3.348
566 HB3 ALA 62 2HB ALA 62 -9.176 -8.348 -5.060
567 H GLN 63 H GLN 63 -10.246 -5.271 -2.542
568 HA GLN 63 HA GLN 63 -11.884 -6.382 -0.471
569 HB2 GLN 63 2HB GLN 63 -10.361 -3.794 -0.676
570 HB3 GLN 63 1HB GLN 63 -11.341 -4.208 0.724
571 HG2 GLN 63 2HG GLN 63 -9.973 -6.305 0.919
572 HG3 GLN 63 1HG GLN 63 -8.899 -5.621 -0.301
573 HE21 GLN 63 1HE2 GLN 63 -7.171 -5.566 1.128
574 HE22 GLN 63 2HE2 GLN 63 -7.073 -4.414 2.411
575 H ASN 64 H ASN 64 -12.180 -3.581 -2.665
576 HA ASN 64 HA ASN 64 -14.803 -2.989 -1.639
577 HB2 ASN 64 2HB ASN 64 -15.003 -1.560 -3.762
578 HB3 ASN 64 1HB ASN 64 -13.808 -1.088 -2.567
579 HD21 ASN 64 1HD2 ASN 64 -11.686 -1.089 -3.101
580 HD22 ASN 64 2HD2 ASN 64 -11.105 -1.384 -4.700
581 H HIS 65 H HIS 65 -13.952 -3.911 -4.989
582 HA HIS 65 HA HIS 65 -14.917 -5.360 -6.455
583 HD1 HIS 65 HD1 HIS 65 -13.916 -7.617 -7.325
584 HD2 HIS 65 HD2 HIS 65 -16.993 -9.115 -4.954
585 HE1 HIS 65 HE1 HIS 65 -14.731 -9.691 -8.493
586 HE2 HIS 65 HE2 HIS 65 -16.427 -10.695 -6.924
587 HB2 HIS 65 2HB HIS 65 -14.043 -6.876 -4.608
588 HB3 HIS 65 1HB HIS 65 -15.693 -6.951 -4.007
589 H GLN 66 H GLN 66 -16.553 -3.199 -5.722
590 HA GLN 66 HA GLN 66 -19.229 -4.366 -5.477
591 HB2 GLN 66 2HB GLN 66 -18.322 -1.493 -5.220
592 HB3 GLN 66 1HB GLN 66 -19.984 -2.046 -5.049
593 HG2 GLN 66 2HG GLN 66 -19.270 -3.465 -3.154
594 HG3 GLN 66 1HG GLN 66 -17.654 -2.768 -3.288
595 HE21 GLN 66 1HE2 GLN 66 -17.737 -1.885 -1.233
596 HE22 GLN 66 2HE2 GLN 66 -18.722 -0.518 -0.858
597 H THR 67 H THR 67 -20.920 -3.678 -6.898
598 HA THR 67 HA THR 67 -19.934 -3.467 -9.625
599 HB THR 67 HB THR 67 -22.388 -3.878 -10.183
600 HG1 THR 67 HG1 THR 67 -23.016 -5.039 -7.849
601 HG21 THR 67 3HG2 THR 67 -20.686 -5.641 -10.256
602 HG22 THR 67 1HG2 THR 67 -22.227 -6.272 -9.669
603 HG23 THR 67 2HG2 THR 67 -20.919 -5.942 -8.534
604 H LYS 68 H LYS 68 -20.432 -1.170 -7.503
605 HA LYS 68 HA LYS 68 -22.315 0.529 -8.825
606 HB2 LYS 68 2HB LYS 68 -20.266 1.127 -6.683
607 HB3 LYS 68 1HB LYS 68 -21.515 2.237 -7.223
608 HG2 LYS 68 2HG LYS 68 -23.241 0.712 -6.445
609 HG3 LYS 68 1HG LYS 68 -22.003 -0.442 -5.939
610 HD2 LYS 68 2HD LYS 68 -22.761 0.796 -4.017
611 HD3 LYS 68 1HD LYS 68 -21.105 1.270 -4.392
612 HE2 LYS 68 2HE LYS 68 -22.001 3.246 -5.595
613 HE3 LYS 68 1HE LYS 68 -23.619 2.793 -5.071
614 HZ1 LYS 68 3HZ LYS 68 -21.340 3.522 -3.312
615 HZ2 LYS 68 1HZ LYS 68 -22.857 2.999 -2.762
616 HZ3 LYS 68 2HZ LYS 68 -22.718 4.458 -3.614
617 H THR 69 H THR 69 -21.557 0.651 -10.950
618 HA THR 69 HA THR 69 -18.916 1.602 -11.537
619 HB THR 69 HB THR 69 -19.944 1.736 -13.920
620 HG1 THR 69 HG1 THR 69 -21.781 -0.132 -13.420
621 HG21 THR 69 3HG2 THR 69 -19.685 -0.679 -14.214
622 HG22 THR 69 1HG2 THR 69 -19.780 -0.908 -12.467
623 HG23 THR 69 2HG2 THR 69 -18.419 -0.035 -13.167
624 H ALA 70 H ALA 70 -19.524 3.507 -10.024
625 HA ALA 70 HA ALA 70 -19.709 5.754 -9.767
626 HB1 ALA 70 3HB ALA 70 -19.352 5.809 -12.760
627 HB2 ALA 70 1HB ALA 70 -18.053 5.767 -11.567
628 HB3 ALA 70 2HB ALA 70 -19.122 7.166 -11.659
629 H LEU 71 H LEU 71 -22.126 4.041 -10.719
630 HA LEU 71 HA LEU 71 -24.341 4.301 -11.117
631 HG LEU 71 HG LEU 71 -25.405 4.852 -8.913
632 HB2 LEU 71 2HB LEU 71 -23.660 7.034 -10.064
633 HB3 LEU 71 1HB LEU 71 -25.281 6.655 -10.604
634 HD11 LEU 71 1HD1 LEU 71 -23.744 4.717 -7.147
635 HD12 LEU 71 2HD1 LEU 71 -22.761 5.937 -7.958
636 HD13 LEU 71 3HD1 LEU 71 -23.015 4.363 -8.714
637 HD21 LEU 71 3HD2 LEU 71 -26.292 7.044 -8.410
638 HD22 LEU 71 1HD2 LEU 71 -24.706 7.582 -7.859
639 HD23 LEU 71 2HD2 LEU 71 -25.571 6.331 -6.968
640 H GLU 72 H GLU 72 -22.303 4.835 -13.197
641 HA GLU 72 HA GLU 72 -23.486 6.842 -14.920
642 HB2 GLU 72 2HB GLU 72 -21.021 6.459 -14.750
643 HB3 GLU 72 1HB GLU 72 -21.257 4.883 -15.489
644 HG2 GLU 72 2HG GLU 72 -22.097 5.935 -17.507
645 HG3 GLU 72 1HG GLU 72 -21.906 7.525 -16.767
646 H HIS 73 H HIS 73 -22.628 3.422 -15.431
647 HA HIS 73 HA HIS 73 -23.763 1.656 -16.262
648 HD1 HIS 73 HD1 HIS 73 -25.969 -0.147 -15.210
649 HD2 HIS 73 HD2 HIS 73 -25.840 3.498 -13.205
650 HE1 HIS 73 HE1 HIS 73 -26.201 -0.706 -12.766
651 HE2 HIS 73 HE2 HIS 73 -26.300 1.523 -11.592
652 HB2 HIS 73 2HB HIS 73 -26.110 3.508 -15.980
653 HB3 HIS 73 1HB HIS 73 -26.274 1.921 -16.726
654 H HIS 74 H HIS 74 -25.657 4.116 -18.008
655 HA HIS 74 HA HIS 74 -25.063 2.695 -20.451
656 HD1 HIS 74 HD1 HIS 74 -29.252 4.253 -19.492
657 HD2 HIS 74 HD2 HIS 74 -26.837 1.288 -21.126
658 HE1 HIS 74 HE1 HIS 74 -30.684 2.194 -19.599
659 HE2 HIS 74 HE2 HIS 74 -29.154 0.374 -20.425
660 HB2 HIS 74 2HB HIS 74 -26.878 4.998 -19.793
661 HB3 HIS 74 1HB HIS 74 -26.565 4.529 -21.459
Start of MODEL 5
1 HA MET 1 HA MET 1 2.183 8.579 5.917
2 H1 MET 1 1H MET 1 1.467 10.774 6.454
3 H2 MET 1 2H MET 1 2.060 10.645 8.034
4 H3 MET 1 3H MET 1 0.746 9.692 7.548
5 HB2 MET 1 2HB MET 1 4.353 10.092 7.393
6 HB3 MET 1 1HB MET 1 4.625 8.827 6.203
7 HG2 MET 1 2HG MET 1 3.577 10.212 4.490
8 HG3 MET 1 1HG MET 1 3.300 11.476 5.689
9 HE1 MET 1 3HE MET 1 4.747 12.048 2.951
10 HE2 MET 1 1HE MET 1 6.104 13.045 3.474
11 HE3 MET 1 2HE MET 1 4.508 13.278 4.191
12 H ARG 2 H ARG 2 3.428 6.658 6.600
13 HA ARG 2 HA ARG 2 3.585 6.176 9.459
14 HE ARG 2 HE ARG 2 1.745 3.012 12.190
15 HB2 ARG 2 2HB ARG 2 1.200 5.672 8.745
16 HB3 ARG 2 1HB ARG 2 1.854 4.377 7.750
17 HG2 ARG 2 2HG ARG 2 1.048 3.483 9.832
18 HG3 ARG 2 1HG ARG 2 2.805 3.341 9.769
19 HD2 ARG 2 2HD ARG 2 2.984 5.398 11.124
20 HD3 ARG 2 1HD ARG 2 1.225 5.450 11.241
21 HH11 ARG 2 1HH1 ARG 2 3.108 6.144 12.937
22 HH12 ARG 2 2HH1 ARG 2 3.614 5.698 14.540
23 HH21 ARG 2 1HH2 ARG 2 2.363 2.417 14.312
24 HH22 ARG 2 2HH2 ARG 2 3.161 3.582 15.336
25 H VAL 3 H VAL 3 5.068 4.610 9.960
26 HA VAL 3 HA VAL 3 6.441 3.322 7.697
27 HB VAL 3 HB VAL 3 7.530 3.904 10.460
28 HG11 VAL 3 1HG1 VAL 3 9.698 3.288 9.492
29 HG12 VAL 3 2HG1 VAL 3 8.894 2.858 7.983
30 HG13 VAL 3 3HG1 VAL 3 8.557 1.944 9.454
31 HG21 VAL 3 3HG2 VAL 3 8.107 5.280 7.840
32 HG22 VAL 3 1HG2 VAL 3 8.897 5.611 9.380
33 HG23 VAL 3 2HG2 VAL 3 7.179 5.956 9.180
34 H PHE 4 H PHE 4 6.357 1.168 7.553
35 HA PHE 4 HA PHE 4 5.245 -0.311 9.842
36 HD1 PHE 4 HD2 PHE 4 3.373 1.355 7.391
37 HD2 PHE 4 HD1 PHE 4 2.828 -2.511 9.081
38 HE1 PHE 4 HE2 PHE 4 1.034 1.916 7.910
39 HE2 PHE 4 HE1 PHE 4 0.486 -1.960 9.601
40 HZ PHE 4 HZ PHE 4 -0.413 0.256 9.016
41 HB2 PHE 4 2HB PHE 4 4.904 -0.599 6.894
42 HB3 PHE 4 1HB PHE 4 4.783 -2.036 7.899
43 HA PRO 5 HA PRO 5 9.240 -2.379 9.814
44 HB2 PRO 5 2HB PRO 5 8.444 -3.489 12.358
45 HB3 PRO 5 1HB PRO 5 9.689 -2.284 12.028
46 HG2 PRO 5 2HG PRO 5 7.365 -1.751 13.373
47 HG3 PRO 5 1HG PRO 5 8.295 -0.538 12.474
48 HD2 PRO 5 2HD PRO 5 5.821 -2.017 11.662
49 HD3 PRO 5 1HD PRO 5 6.265 -0.318 11.382
50 H VAL 6 H VAL 6 6.116 -3.470 9.566
51 HA VAL 6 HA VAL 6 7.023 -6.224 9.135
52 HB VAL 6 HB VAL 6 4.771 -7.026 9.944
53 HG11 VAL 6 1HG1 VAL 6 6.762 -7.328 11.296
54 HG12 VAL 6 2HG1 VAL 6 5.379 -6.954 12.324
55 HG13 VAL 6 3HG1 VAL 6 6.575 -5.708 11.970
56 HG21 VAL 6 3HG2 VAL 6 4.623 -4.249 11.115
57 HG22 VAL 6 1HG2 VAL 6 3.546 -5.585 11.515
58 HG23 VAL 6 2HG2 VAL 6 3.557 -4.921 9.880
59 H TYR 7 H TYR 7 6.527 -6.965 7.185
60 HA TYR 7 HA TYR 7 4.791 -5.387 5.477
61 HD1 TYR 7 HD1 TYR 7 5.081 -4.910 3.013
62 HD2 TYR 7 HD2 TYR 7 5.689 -9.114 3.179
63 HE1 TYR 7 HE1 TYR 7 4.057 -5.139 0.789
64 HE2 TYR 7 HE2 TYR 7 4.664 -9.358 0.959
65 HH TYR 7 HH TYR 7 4.057 -6.718 -1.092
66 HB2 TYR 7 2HB TYR 7 6.901 -6.142 4.538
67 HB3 TYR 7 1HB TYR 7 6.498 -7.818 4.899
68 H ALA 8 H ALA 8 2.695 -5.723 5.899
69 HA ALA 8 HA ALA 8 1.695 -8.469 5.565
70 HB1 ALA 8 3HB ALA 8 -0.004 -8.092 7.260
71 HB2 ALA 8 1HB ALA 8 0.625 -6.469 7.556
72 HB3 ALA 8 2HB ALA 8 1.607 -7.882 7.949
73 HA PRO 9 HA PRO 9 -0.026 -6.292 2.011
74 HB2 PRO 9 2HB PRO 9 -1.591 -8.849 2.123
75 HB3 PRO 9 1HB PRO 9 -0.876 -8.031 0.730
76 HG2 PRO 9 2HG PRO 9 0.349 -10.120 1.801
77 HG3 PRO 9 1HG PRO 9 1.288 -8.708 1.278
78 HD2 PRO 9 2HD PRO 9 0.572 -9.596 4.028
79 HD3 PRO 9 1HD PRO 9 2.020 -8.743 3.455
80 H LYS 10 H LYS 10 -2.336 -8.206 3.965
81 HA LYS 10 HA LYS 10 -4.555 -6.634 3.233
82 HB2 LYS 10 2HB LYS 10 -4.147 -8.553 5.522
83 HB3 LYS 10 1HB LYS 10 -5.683 -7.758 5.202
84 HG2 LYS 10 2HG LYS 10 -5.710 -8.775 2.957
85 HG3 LYS 10 1HG LYS 10 -4.217 -9.632 3.355
86 HD2 LYS 10 2HD LYS 10 -5.327 -10.794 5.159
87 HD3 LYS 10 1HD LYS 10 -6.806 -9.870 4.885
88 HE2 LYS 10 2HE LYS 10 -7.013 -10.862 2.657
89 HE3 LYS 10 1HE LYS 10 -5.528 -11.777 2.926
90 HZ1 LYS 10 3HZ LYS 10 -7.531 -13.098 3.321
91 HZ2 LYS 10 1HZ LYS 10 -8.006 -12.029 4.546
92 HZ3 LYS 10 2HZ LYS 10 -6.596 -12.950 4.726
93 H LEU 11 H LEU 11 -2.406 -6.473 6.038
94 HA LEU 11 HA LEU 11 -3.945 -4.576 7.458
95 HG LEU 11 HG LEU 11 -2.358 -7.055 8.420
96 HB2 LEU 11 2HB LEU 11 -1.002 -5.214 7.572
97 HB3 LEU 11 1HB LEU 11 -1.791 -4.098 8.667
98 HD11 LEU 11 1HD1 LEU 11 -0.255 -6.537 9.554
99 HD12 LEU 11 2HD1 LEU 11 -1.453 -7.166 10.685
100 HD13 LEU 11 3HD1 LEU 11 -1.106 -5.439 10.640
101 HD21 LEU 11 3HD2 LEU 11 -3.583 -4.996 10.253
102 HD22 LEU 11 1HD2 LEU 11 -3.870 -6.735 10.310
103 HD23 LEU 11 2HD2 LEU 11 -4.397 -5.798 8.910
104 H ILE 12 H ILE 12 -1.375 -4.270 5.067
105 HA ILE 12 HA ILE 12 -1.044 -1.483 5.192
106 HB ILE 12 HB ILE 12 -0.712 -3.360 2.846
107 HG12 ILE 12 2HG1 ILE 12 1.316 -2.145 4.734
108 HG13 ILE 12 1HG1 ILE 12 0.733 -3.802 4.808
109 HG21 ILE 12 1HG2 ILE 12 -1.025 -1.095 2.038
110 HG22 ILE 12 2HG2 ILE 12 0.657 -1.587 1.836
111 HG23 ILE 12 3HG2 ILE 12 0.208 -0.502 3.153
112 HD11 ILE 12 3HD1 ILE 12 2.266 -2.584 2.523
113 HD12 ILE 12 1HD1 ILE 12 1.696 -4.251 2.619
114 HD13 ILE 12 2HD1 ILE 12 2.917 -3.669 3.750
115 H VAL 13 H VAL 13 -3.106 -3.451 3.064
116 HA VAL 13 HA VAL 13 -4.307 -1.308 1.695
117 HB VAL 13 HB VAL 13 -5.329 -4.110 2.187
118 HG11 VAL 13 1HG1 VAL 13 -6.788 -3.706 0.234
119 HG12 VAL 13 2HG1 VAL 13 -6.301 -2.011 0.252
120 HG13 VAL 13 3HG1 VAL 13 -7.195 -2.687 1.615
121 HG21 VAL 13 3HG2 VAL 13 -3.905 -2.885 -0.171
122 HG22 VAL 13 1HG2 VAL 13 -4.520 -4.535 -0.088
123 HG23 VAL 13 2HG2 VAL 13 -3.213 -4.025 0.984
124 H LYS 14 H LYS 14 -5.336 -3.101 4.578
125 HA LYS 14 HA LYS 14 -7.864 -1.911 4.837
126 HB2 LYS 14 2HB LYS 14 -7.229 -3.974 5.991
127 HB3 LYS 14 1HB LYS 14 -6.074 -3.084 6.969
128 HG2 LYS 14 2HG LYS 14 -7.819 -1.903 8.086
129 HG3 LYS 14 1HG LYS 14 -9.033 -2.552 6.982
130 HD2 LYS 14 2HD LYS 14 -7.341 -4.246 8.818
131 HD3 LYS 14 1HD LYS 14 -8.961 -3.671 9.217
132 HE2 LYS 14 2HE LYS 14 -8.289 -5.358 6.807
133 HE3 LYS 14 1HE LYS 14 -8.902 -5.995 8.333
134 HZ1 LYS 14 3HZ LYS 14 -10.903 -4.699 8.054
135 HZ2 LYS 14 1HZ LYS 14 -10.667 -5.683 6.697
136 HZ3 LYS 14 2HZ LYS 14 -10.319 -4.028 6.615
137 H HIS 15 H HIS 15 -4.693 -0.914 6.036
138 HA HIS 15 HA HIS 15 -5.785 1.310 7.504
139 HD1 HIS 15 HD1 HIS 15 -4.710 1.877 9.920
140 HD2 HIS 15 HD2 HIS 15 -2.673 -1.537 8.689
141 HE1 HIS 15 HE1 HIS 15 -4.440 0.466 11.979
142 HE2 HIS 15 HE2 HIS 15 -2.988 -1.460 11.255
143 HB2 HIS 15 2HB HIS 15 -2.989 0.418 6.846
144 HB3 HIS 15 1HB HIS 15 -3.290 1.999 7.547
145 H ALA 16 H ALA 16 -4.548 0.724 4.306
146 HA ALA 16 HA ALA 16 -3.961 3.376 3.563
147 HB1 ALA 16 3HB ALA 16 -4.850 1.126 1.763
148 HB2 ALA 16 1HB ALA 16 -3.194 1.403 2.305
149 HB3 ALA 16 2HB ALA 16 -3.996 2.591 1.279
150 H ARG 17 H ARG 17 -6.972 1.650 3.799
151 HA ARG 17 HA ARG 17 -8.566 3.330 2.207
152 HE ARG 17 HE ARG 17 -11.868 3.245 3.629
153 HB2 ARG 17 2HB ARG 17 -8.990 1.210 4.109
154 HB3 ARG 17 1HB ARG 17 -10.154 2.500 4.379
155 HG2 ARG 17 2HG ARG 17 -9.666 1.057 1.784
156 HG3 ARG 17 1HG ARG 17 -11.051 0.846 2.857
157 HD2 ARG 17 2HD ARG 17 -10.301 3.389 1.416
158 HD3 ARG 17 1HD ARG 17 -11.592 2.285 0.946
159 HH11 ARG 17 1HH1 ARG 17 -12.464 4.023 0.256
160 HH12 ARG 17 2HH1 ARG 17 -13.783 5.097 0.628
161 HH21 ARG 17 1HH2 ARG 17 -13.589 4.690 4.087
162 HH22 ARG 17 2HH2 ARG 17 -14.401 5.483 2.772
163 H ILE 18 H ILE 18 -7.203 3.767 5.348
164 HA ILE 18 HA ILE 18 -8.879 6.121 5.841
165 HB ILE 18 HB ILE 18 -6.952 4.738 7.713
166 HG12 ILE 18 2HG1 ILE 18 -9.975 4.593 7.599
167 HG13 ILE 18 1HG1 ILE 18 -8.891 3.332 7.023
168 HG21 ILE 18 1HG2 ILE 18 -8.078 6.036 9.463
169 HG22 ILE 18 2HG2 ILE 18 -9.059 6.838 8.238
170 HG23 ILE 18 3HG2 ILE 18 -7.314 7.088 8.272
171 HD11 ILE 18 3HD1 ILE 18 -9.774 2.786 9.207
172 HD12 ILE 18 1HD1 ILE 18 -9.139 4.293 9.864
173 HD13 ILE 18 2HD1 ILE 18 -8.032 3.044 9.294
174 H PHE 19 H PHE 19 -5.552 5.085 5.418
175 HA PHE 19 HA PHE 19 -4.533 7.788 5.770
176 HD1 PHE 19 HD2 PHE 19 -3.294 7.990 7.668
177 HD2 PHE 19 HD1 PHE 19 -2.938 3.798 7.025
178 HE1 PHE 19 HE2 PHE 19 -3.211 7.629 10.102
179 HE2 PHE 19 HE1 PHE 19 -2.851 3.430 9.453
180 HZ PHE 19 HZ PHE 19 -2.988 5.343 10.998
181 HB2 PHE 19 2HB PHE 19 -3.116 5.175 5.212
182 HB3 PHE 19 1HB PHE 19 -2.302 6.721 5.415
183 H LEU 20 H LEU 20 -6.118 6.496 3.392
184 HA LEU 20 HA LEU 20 -4.998 6.105 1.086
185 HG LEU 20 HG LEU 20 -7.473 8.082 2.855
186 HB2 LEU 20 2HB LEU 20 -6.847 7.450 -0.008
187 HB3 LEU 20 1HB LEU 20 -7.297 6.168 1.093
188 HD11 LEU 20 1HD1 LEU 20 -8.167 10.224 1.899
189 HD12 LEU 20 2HD1 LEU 20 -7.755 9.634 0.290
190 HD13 LEU 20 3HD1 LEU 20 -6.490 9.845 1.500
191 HD21 LEU 20 3HD2 LEU 20 -9.346 6.743 2.051
192 HD22 LEU 20 1HD2 LEU 20 -9.484 7.778 0.629
193 HD23 LEU 20 2HD2 LEU 20 -9.809 8.436 2.233
194 H THR 21 H THR 21 -4.860 9.381 2.436
195 HA THR 21 HA THR 21 -3.222 10.083 0.103
196 HB THR 21 HB THR 21 -5.138 11.546 0.232
197 HG1 THR 21 HG1 THR 21 -2.736 12.842 1.059
198 HG21 THR 21 3HG2 THR 21 -5.478 13.083 2.146
199 HG22 THR 21 1HG2 THR 21 -4.232 12.211 3.035
200 HG23 THR 21 2HG2 THR 21 -5.724 11.390 2.575
201 H GLY 22 H GLY 22 -1.251 9.349 0.764
202 HA2 GLY 22 2HA GLY 22 0.313 10.929 2.458
203 HA3 GLY 22 1HA GLY 22 -0.265 9.569 3.401
204 H VAL 23 H VAL 23 1.858 8.827 3.651
205 HA VAL 23 HA VAL 23 2.865 7.300 1.366
206 HB VAL 23 HB VAL 23 4.634 9.013 3.139
207 HG11 VAL 23 1HG1 VAL 23 5.348 7.220 0.824
208 HG12 VAL 23 2HG1 VAL 23 5.695 6.905 2.523
209 HG13 VAL 23 3HG1 VAL 23 6.467 8.262 1.703
210 HG21 VAL 23 3HG2 VAL 23 3.990 9.297 0.207
211 HG22 VAL 23 1HG2 VAL 23 5.161 10.262 1.104
212 HG23 VAL 23 2HG2 VAL 23 3.446 10.367 1.497
213 H ILE 24 H ILE 24 3.540 5.280 1.948
214 HA ILE 24 HA ILE 24 3.779 4.746 4.835
215 HB ILE 24 HB ILE 24 1.744 3.711 4.121
216 HG12 ILE 24 2HG1 ILE 24 3.956 1.659 4.289
217 HG13 ILE 24 1HG1 ILE 24 3.092 2.372 5.645
218 HG21 ILE 24 1HG2 ILE 24 3.290 2.364 1.923
219 HG22 ILE 24 2HG2 ILE 24 2.172 3.712 1.712
220 HG23 ILE 24 3HG2 ILE 24 1.577 2.151 2.281
221 HD11 ILE 24 3HD1 ILE 24 2.311 0.124 5.171
222 HD12 ILE 24 1HD1 ILE 24 1.892 0.602 3.527
223 HD13 ILE 24 2HD1 ILE 24 1.032 1.308 4.897
224 H TRP 25 H TRP 25 5.714 4.095 5.416
225 HA TRP 25 HA TRP 25 7.579 3.262 3.316
226 HD1 TRP 25 HD1 TRP 25 10.187 2.003 4.922
227 HE1 TRP 25 HE1 TRP 25 12.501 2.610 3.977
228 HE3 TRP 25 HE3 TRP 25 9.434 6.997 4.088
229 HZ2 TRP 25 HZ2 TRP 25 13.829 4.899 3.007
230 HZ3 TRP 25 HZ3 TRP 25 11.288 8.323 3.152
231 HH2 TRP 25 HH2 TRP 25 13.437 7.292 2.624
232 HB2 TRP 25 2HB TRP 25 8.023 5.242 4.911
233 HB3 TRP 25 1HB TRP 25 8.318 4.018 6.136
234 H VAL 26 H VAL 26 7.794 1.151 3.092
235 HA VAL 26 HA VAL 26 7.690 -0.548 5.505
236 HB VAL 26 HB VAL 26 7.530 -1.582 2.689
237 HG11 VAL 26 1HG1 VAL 26 6.558 -2.709 5.304
238 HG12 VAL 26 2HG1 VAL 26 8.025 -3.189 4.452
239 HG13 VAL 26 3HG1 VAL 26 6.448 -3.496 3.727
240 HG21 VAL 26 3HG2 VAL 26 5.728 0.052 2.921
241 HG22 VAL 26 1HG2 VAL 26 5.193 -0.743 4.401
242 HG23 VAL 26 2HG2 VAL 26 5.087 -1.590 2.858
243 H LYS 27 H LYS 27 9.353 -2.065 5.813
244 HA LYS 27 HA LYS 27 11.916 -1.084 5.157
245 HB2 LYS 27 2HB LYS 27 11.173 -3.797 6.254
246 HB3 LYS 27 1HB LYS 27 12.766 -3.068 6.296
247 HG2 LYS 27 2HG LYS 27 11.859 -1.266 7.726
248 HG3 LYS 27 1HG LYS 27 10.315 -2.124 7.755
249 HD2 LYS 27 2HD LYS 27 12.971 -3.118 8.786
250 HD3 LYS 27 1HD LYS 27 11.556 -2.681 9.745
251 HE2 LYS 27 2HE LYS 27 10.303 -4.516 8.827
252 HE3 LYS 27 1HE LYS 27 11.611 -4.909 7.715
253 HZ1 LYS 27 3HZ LYS 27 11.514 -6.359 9.687
254 HZ2 LYS 27 1HZ LYS 27 11.843 -5.025 10.676
255 HZ3 LYS 27 2HZ LYS 27 12.988 -5.547 9.539
256 H ASP 28 H ASP 28 10.043 -3.815 3.941
257 HA ASP 28 HA ASP 28 12.295 -4.764 2.374
258 HB2 ASP 28 2HB ASP 28 9.499 -5.864 2.740
259 HB3 ASP 28 1HB ASP 28 10.762 -6.642 1.789
260 H LEU 29 H LEU 29 10.112 -2.414 1.858
261 HA LEU 29 HA LEU 29 10.096 -2.914 -1.044
262 HG LEU 29 HG LEU 29 7.735 -4.061 0.659
263 HB2 LEU 29 2HB LEU 29 7.924 -1.607 0.593
264 HB3 LEU 29 1HB LEU 29 7.959 -1.655 -1.156
265 HD11 LEU 29 1HD1 LEU 29 5.460 -4.213 -0.222
266 HD12 LEU 29 2HD1 LEU 29 5.711 -2.723 -1.133
267 HD13 LEU 29 3HD1 LEU 29 5.717 -2.689 0.630
268 HD21 LEU 29 3HD2 LEU 29 7.617 -3.857 -2.351
269 HD22 LEU 29 1HD2 LEU 29 7.342 -5.314 -1.398
270 HD23 LEU 29 2HD2 LEU 29 8.937 -4.561 -1.418
271 H GLY 30 H GLY 30 9.563 -0.318 1.332
272 HA2 GLY 30 2HA GLY 30 11.332 1.515 1.147
273 HA3 GLY 30 1HA GLY 30 10.835 1.561 -0.543
274 H ARG 31 H ARG 31 10.206 3.776 -0.202
275 HA ARG 31 HA ARG 31 7.926 4.237 1.541
276 HE ARG 31 HE ARG 31 8.352 8.392 -1.159
277 HB2 ARG 31 2HB ARG 31 8.103 6.592 0.746
278 HB3 ARG 31 1HB ARG 31 9.571 5.989 1.505
279 HG2 ARG 31 2HG ARG 31 10.558 5.619 -0.684
280 HG3 ARG 31 1HG ARG 31 9.090 6.197 -1.460
281 HD2 ARG 31 2HD ARG 31 10.675 7.883 0.461
282 HD3 ARG 31 1HD ARG 31 10.998 7.859 -1.273
283 HH11 ARG 31 1HH1 ARG 31 11.130 9.821 0.409
284 HH12 ARG 31 2HH1 ARG 31 10.451 11.418 0.452
285 HH21 ARG 31 1HH2 ARG 31 7.455 10.514 -1.132
286 HH22 ARG 31 2HH2 ARG 31 8.380 11.814 -0.429
287 H LEU 32 H LEU 32 5.970 3.826 0.875
288 HA LEU 32 HA LEU 32 5.417 3.822 -2.009
289 HG LEU 32 HG LEU 32 5.902 1.292 -0.167
290 HB2 LEU 32 2HB LEU 32 3.850 2.577 0.250
291 HB3 LEU 32 1HB LEU 32 3.436 2.475 -1.447
292 HD11 LEU 32 1HD1 LEU 32 3.386 0.004 -1.212
293 HD12 LEU 32 2HD1 LEU 32 3.890 0.107 0.476
294 HD13 LEU 32 3HD1 LEU 32 4.826 -0.856 -0.667
295 HD21 LEU 32 3HD2 LEU 32 6.239 0.213 -2.341
296 HD22 LEU 32 1HD2 LEU 32 6.324 1.971 -2.464
297 HD23 LEU 32 2HD2 LEU 32 4.875 1.120 -2.998
298 H GLU 33 H GLU 33 4.744 5.750 -2.605
299 HA GLU 33 HA GLU 33 3.155 7.390 -0.803
300 HB2 GLU 33 2HB GLU 33 4.102 8.027 -3.602
301 HB3 GLU 33 1HB GLU 33 3.534 9.161 -2.383
302 HG2 GLU 33 2HG GLU 33 5.456 8.678 -0.995
303 HG3 GLU 33 1HG GLU 33 6.019 7.481 -2.161
304 H PHE 34 H PHE 34 1.031 7.666 -0.966
305 HA PHE 34 HA PHE 34 -0.336 6.863 -3.411
306 HD1 PHE 34 HD2 PHE 34 1.054 5.846 0.024
307 HD2 PHE 34 HD1 PHE 34 -3.156 5.282 -0.197
308 HE1 PHE 34 HE2 PHE 34 0.950 5.711 2.472
309 HE2 PHE 34 HE1 PHE 34 -3.260 5.129 2.254
310 HZ PHE 34 HZ PHE 34 -1.206 5.338 3.589
311 HB2 PHE 34 2HB PHE 34 -1.980 5.510 -2.138
312 HB3 PHE 34 1HB PHE 34 -0.365 4.820 -2.108
313 H GLU 35 H GLU 35 -2.067 8.071 -3.860
314 HA GLU 35 HA GLU 35 -2.985 9.954 -1.789
315 HB2 GLU 35 2HB GLU 35 -1.538 11.062 -3.475
316 HB3 GLU 35 1HB GLU 35 -2.646 10.535 -4.736
317 HG2 GLU 35 2HG GLU 35 -4.441 11.793 -3.449
318 HG3 GLU 35 1HG GLU 35 -3.114 12.529 -2.555
319 H LYS 36 H LYS 36 -5.103 9.914 -1.453
320 HA LYS 36 HA LYS 36 -7.313 9.416 -1.625
321 HB2 LYS 36 2HB LYS 36 -6.796 9.354 -4.608
322 HB3 LYS 36 1HB LYS 36 -8.371 9.461 -3.838
323 HG2 LYS 36 2HG LYS 36 -7.696 11.642 -2.870
324 HG3 LYS 36 1HG LYS 36 -6.191 11.538 -3.788
325 HD2 LYS 36 2HD LYS 36 -7.478 11.437 -5.870
326 HD3 LYS 36 1HD LYS 36 -8.978 11.547 -4.948
327 HE2 LYS 36 2HE LYS 36 -8.610 13.726 -5.677
328 HE3 LYS 36 1HE LYS 36 -8.024 13.732 -4.018
329 HZ1 LYS 36 3HZ LYS 36 -5.753 13.347 -4.981
330 HZ2 LYS 36 1HZ LYS 36 -6.439 14.860 -5.321
331 HZ3 LYS 36 2HZ LYS 36 -6.417 13.648 -6.507
332 H GLY 37 H GLY 37 -5.176 7.320 -1.534
333 HA2 GLY 37 2HA GLY 37 -5.350 4.991 -1.295
334 HA3 GLY 37 1HA GLY 37 -6.839 5.026 -2.228
335 H ARG 38 H ARG 38 -5.138 6.823 -4.128
336 HA ARG 38 HA ARG 38 -4.354 4.602 -5.847
337 HE ARG 38 HE ARG 38 -2.757 6.949 -10.433
338 HB2 ARG 38 2HB ARG 38 -5.695 6.687 -6.573
339 HB3 ARG 38 1HB ARG 38 -4.177 7.560 -6.470
340 HG2 ARG 38 2HG ARG 38 -4.567 5.140 -8.209
341 HG3 ARG 38 1HG ARG 38 -4.871 6.784 -8.758
342 HD2 ARG 38 2HD ARG 38 -2.489 7.313 -8.120
343 HD3 ARG 38 1HD ARG 38 -2.256 5.580 -7.884
344 HH11 ARG 38 1HH1 ARG 38 -1.913 4.046 -8.675
345 HH12 ARG 38 2HH1 ARG 38 -1.525 3.130 -10.097
346 HH21 ARG 38 1HH2 ARG 38 -2.213 5.776 -12.319
347 HH22 ARG 38 2HH2 ARG 38 -1.695 4.122 -12.183
348 H PHE 39 H PHE 39 -2.578 3.766 -5.186
349 HA PHE 39 HA PHE 39 -0.249 4.877 -4.245
350 HD1 PHE 39 HD2 PHE 39 -2.388 2.086 -3.797
351 HD2 PHE 39 HD1 PHE 39 1.851 2.408 -3.625
352 HE1 PHE 39 HE2 PHE 39 -2.400 1.006 -1.588
353 HE2 PHE 39 HE1 PHE 39 1.845 1.324 -1.416
354 HZ PHE 39 HZ PHE 39 -0.281 0.622 -0.397
355 HB2 PHE 39 2HB PHE 39 -1.015 2.485 -5.817
356 HB3 PHE 39 1HB PHE 39 0.711 2.836 -5.660
357 H LEU 40 H LEU 40 1.129 6.313 -5.078
358 HA LEU 40 HA LEU 40 0.837 7.126 -7.826
359 HG LEU 40 HG LEU 40 0.396 8.486 -5.001
360 HB2 LEU 40 2HB LEU 40 2.745 8.154 -5.734
361 HB3 LEU 40 1HB LEU 40 2.355 8.934 -7.255
362 HD11 LEU 40 1HD1 LEU 40 0.588 10.891 -4.624
363 HD12 LEU 40 2HD1 LEU 40 1.841 10.988 -5.863
364 HD13 LEU 40 3HD1 LEU 40 2.134 10.075 -4.383
365 HD21 LEU 40 3HD2 LEU 40 0.166 10.056 -7.568
366 HD22 LEU 40 1HD2 LEU 40 -1.037 10.010 -6.281
367 HD23 LEU 40 2HD2 LEU 40 -0.665 8.547 -7.193
368 H LEU 41 H LEU 41 2.466 4.824 -6.326
369 HA LEU 41 HA LEU 41 4.609 4.748 -8.340
370 HG LEU 41 HG LEU 41 6.851 4.609 -5.411
371 HB2 LEU 41 2HB LEU 41 4.533 3.672 -5.528
372 HB3 LEU 41 1HB LEU 41 5.655 3.038 -6.714
373 HD11 LEU 41 1HD1 LEU 41 7.338 4.720 -7.778
374 HD12 LEU 41 2HD1 LEU 41 7.481 6.320 -7.049
375 HD13 LEU 41 3HD1 LEU 41 6.058 5.909 -8.008
376 HD21 LEU 41 3HD2 LEU 41 6.146 6.917 -5.073
377 HD22 LEU 41 1HD2 LEU 41 4.958 5.787 -4.419
378 HD23 LEU 41 2HD2 LEU 41 4.652 6.597 -5.956
379 HA PRO 42 HA PRO 42 2.018 1.204 -9.404
380 HB2 PRO 42 2HB PRO 42 1.621 1.833 -11.951
381 HB3 PRO 42 1HB PRO 42 0.871 2.790 -10.672
382 HG2 PRO 42 2HG PRO 42 3.202 3.453 -12.398
383 HG3 PRO 42 1HG PRO 42 1.996 4.531 -11.677
384 HD2 PRO 42 2HD PRO 42 4.607 3.893 -10.689
385 HD3 PRO 42 1HD PRO 42 3.385 4.932 -9.931
386 H ARG 43 H ARG 43 3.192 1.481 -12.544
387 HA ARG 43 HA ARG 43 4.882 -0.860 -12.225
388 HE ARG 43 HE ARG 43 2.294 1.098 -15.898
389 HB2 ARG 43 2HB ARG 43 3.928 0.625 -14.685
390 HB3 ARG 43 1HB ARG 43 4.874 -0.858 -14.716
391 HG2 ARG 43 2HG ARG 43 3.117 -2.154 -13.996
392 HG3 ARG 43 1HG ARG 43 2.297 -0.796 -13.220
393 HD2 ARG 43 2HD ARG 43 2.574 -1.229 -16.195
394 HD3 ARG 43 1HD ARG 43 1.118 -1.509 -15.240
395 HH11 ARG 43 1HH1 ARG 43 -0.320 -0.783 -14.531
396 HH12 ARG 43 2HH1 ARG 43 -1.389 0.583 -14.364
397 HH21 ARG 43 1HH2 ARG 43 0.880 2.894 -15.722
398 HH22 ARG 43 2HH2 ARG 43 -0.714 2.667 -15.052
399 H LYS 44 H LYS 44 5.097 2.523 -12.614
400 HA LYS 44 HA LYS 44 7.851 2.563 -13.462
401 HB2 LYS 44 2HB LYS 44 6.267 4.407 -13.978
402 HB3 LYS 44 1HB LYS 44 6.138 4.752 -12.262
403 HG2 LYS 44 2HG LYS 44 8.524 5.318 -12.204
404 HG3 LYS 44 1HG LYS 44 8.629 5.006 -13.939
405 HD2 LYS 44 2HD LYS 44 7.049 6.776 -14.391
406 HD3 LYS 44 1HD LYS 44 6.802 7.036 -12.664
407 HE2 LYS 44 2HE LYS 44 9.137 7.715 -12.427
408 HE3 LYS 44 1HE LYS 44 9.397 7.438 -14.150
409 HZ1 LYS 44 3HZ LYS 44 7.806 9.166 -14.652
410 HZ2 LYS 44 1HZ LYS 44 9.018 9.786 -13.638
411 HZ3 LYS 44 2HZ LYS 44 7.488 9.409 -13.004
412 H SER 45 H SER 45 8.464 0.996 -11.784
413 HA SER 45 HA SER 45 9.466 2.282 -9.417
414 HG SER 45 HG SER 45 6.206 0.064 -9.348
415 HB2 SER 45 2HB SER 45 8.261 0.791 -7.846
416 HB3 SER 45 1HB SER 45 7.149 1.827 -8.746
417 H LEU 46 H LEU 46 10.046 0.013 -7.913
418 HA LEU 46 HA LEU 46 12.127 -1.205 -9.493
419 HG LEU 46 HG LEU 46 13.717 -0.332 -7.804
420 HB2 LEU 46 2HB LEU 46 11.241 -1.603 -6.636
421 HB3 LEU 46 1HB LEU 46 12.534 -2.530 -7.368
422 HD11 LEU 46 1HD1 LEU 46 11.630 0.689 -5.884
423 HD12 LEU 46 2HD1 LEU 46 11.822 1.172 -7.570
424 HD13 LEU 46 3HD1 LEU 46 13.074 1.563 -6.392
425 HD21 LEU 46 3HD2 LEU 46 14.544 -0.174 -5.508
426 HD22 LEU 46 1HD2 LEU 46 14.375 -1.852 -6.025
427 HD23 LEU 46 2HD2 LEU 46 13.173 -1.135 -4.952
428 HA PRO 47 HA PRO 47 10.103 -4.638 -11.296
429 HB2 PRO 47 2HB PRO 47 12.325 -6.212 -10.045
430 HB3 PRO 47 1HB PRO 47 11.683 -6.286 -11.695
431 HG2 PRO 47 2HG PRO 47 13.932 -4.971 -11.210
432 HG3 PRO 47 1HG PRO 47 12.727 -4.301 -12.325
433 HD2 PRO 47 2HD PRO 47 13.402 -3.479 -9.547
434 HD3 PRO 47 1HD PRO 47 12.841 -2.493 -10.913
435 H LYS 48 H LYS 48 11.472 -5.691 -8.135
436 HA LYS 48 HA LYS 48 9.376 -7.601 -7.777
437 HB2 LYS 48 2HB LYS 48 11.613 -7.938 -6.805
438 HB3 LYS 48 1HB LYS 48 11.363 -6.551 -5.753
439 HG2 LYS 48 2HG LYS 48 9.519 -7.688 -4.655
440 HG3 LYS 48 1HG LYS 48 9.706 -9.066 -5.740
441 HD2 LYS 48 2HD LYS 48 11.963 -9.437 -4.858
442 HD3 LYS 48 1HD LYS 48 11.748 -8.073 -3.757
443 HE2 LYS 48 2HE LYS 48 9.880 -9.204 -2.691
444 HE3 LYS 48 1HE LYS 48 10.030 -10.552 -3.816
445 HZ1 LYS 48 3HZ LYS 48 12.282 -10.937 -2.916
446 HZ2 LYS 48 1HZ LYS 48 11.061 -11.127 -1.754
447 HZ3 LYS 48 2HZ LYS 48 12.008 -9.722 -1.766
448 H VAL 49 H VAL 49 9.959 -4.342 -6.635
449 HA VAL 49 HA VAL 49 7.891 -4.322 -4.690
450 HB VAL 49 HB VAL 49 9.149 -1.979 -6.132
451 HG11 VAL 49 1HG1 VAL 49 7.582 -2.099 -3.556
452 HG12 VAL 49 2HG1 VAL 49 7.053 -1.358 -5.066
453 HG13 VAL 49 3HG1 VAL 49 8.416 -0.676 -4.178
454 HG21 VAL 49 3HG2 VAL 49 9.870 -3.334 -3.536
455 HG22 VAL 49 1HG2 VAL 49 10.565 -1.818 -4.115
456 HG23 VAL 49 2HG2 VAL 49 10.827 -3.310 -5.017
457 H LYS 50 H LYS 50 8.086 -3.493 -8.092
458 HA LYS 50 HA LYS 50 5.641 -2.270 -8.506
459 HB2 LYS 50 2HB LYS 50 7.343 -2.401 -10.227
460 HB3 LYS 50 1HB LYS 50 7.176 -4.150 -10.309
461 HG2 LYS 50 2HG LYS 50 4.810 -3.794 -11.051
462 HG3 LYS 50 1HG LYS 50 5.180 -2.073 -11.165
463 HD2 LYS 50 2HD LYS 50 5.402 -3.173 -13.338
464 HD3 LYS 50 1HD LYS 50 6.955 -2.553 -12.775
465 HE2 LYS 50 2HE LYS 50 7.569 -4.789 -12.004
466 HE3 LYS 50 1HE LYS 50 6.011 -5.408 -12.539
467 HZ1 LYS 50 3HZ LYS 50 7.792 -5.859 -14.126
468 HZ2 LYS 50 1HZ LYS 50 8.058 -4.194 -14.312
469 HZ3 LYS 50 2HZ LYS 50 6.584 -4.877 -14.801
470 H GLN 51 H GLN 51 6.376 -5.756 -8.797
471 HA GLN 51 HA GLN 51 3.708 -6.480 -9.366
472 HB2 GLN 51 2HB GLN 51 4.458 -8.780 -8.966
473 HB3 GLN 51 1HB GLN 51 5.572 -7.905 -9.997
474 HG2 GLN 51 2HG GLN 51 7.175 -8.663 -8.668
475 HG3 GLN 51 1HG GLN 51 6.600 -7.491 -7.485
476 HE21 GLN 51 1HE2 GLN 51 4.070 -8.991 -7.112
477 HE22 GLN 51 2HE2 GLN 51 4.487 -10.357 -6.138
478 H ALA 52 H ALA 52 5.430 -5.907 -6.408
479 HA ALA 52 HA ALA 52 3.517 -7.137 -4.674
480 HB1 ALA 52 3HB ALA 52 5.529 -4.968 -4.069
481 HB2 ALA 52 1HB ALA 52 5.823 -6.701 -3.953
482 HB3 ALA 52 2HB ALA 52 4.653 -5.934 -2.882
483 H ILE 53 H ILE 53 4.098 -3.835 -5.821
484 HA ILE 53 HA ILE 53 1.959 -2.586 -4.498
485 HB ILE 53 HB ILE 53 3.225 -1.894 -7.154
486 HG12 ILE 53 2HG1 ILE 53 3.705 -0.669 -4.428
487 HG13 ILE 53 1HG1 ILE 53 4.723 -1.927 -5.121
488 HG21 ILE 53 1HG2 ILE 53 1.445 -0.234 -5.373
489 HG22 ILE 53 2HG2 ILE 53 1.031 -0.875 -6.962
490 HG23 ILE 53 3HG2 ILE 53 2.291 0.348 -6.807
491 HD11 ILE 53 3HD1 ILE 53 4.261 0.808 -6.296
492 HD12 ILE 53 1HD1 ILE 53 5.294 -0.453 -6.974
493 HD13 ILE 53 2HD1 ILE 53 5.699 0.277 -5.419
494 H LEU 54 H LEU 54 2.167 -4.101 -7.704
495 HA LEU 54 HA LEU 54 -0.453 -3.611 -8.542
496 HG LEU 54 HG LEU 54 2.342 -3.873 -9.911
497 HB2 LEU 54 2HB LEU 54 1.322 -5.977 -9.148
498 HB3 LEU 54 1HB LEU 54 -0.147 -5.582 -10.017
499 HD11 LEU 54 1HD1 LEU 54 1.190 -5.563 -12.126
500 HD12 LEU 54 2HD1 LEU 54 2.673 -5.885 -11.226
501 HD13 LEU 54 3HD1 LEU 54 2.568 -4.472 -12.278
502 HD21 LEU 54 3HD2 LEU 54 1.225 -2.514 -11.609
503 HD22 LEU 54 1HD2 LEU 54 0.315 -2.533 -10.098
504 HD23 LEU 54 2HD2 LEU 54 -0.220 -3.515 -11.462
505 H GLU 55 H GLU 55 0.879 -6.327 -6.695
506 HA GLU 55 HA GLU 55 -1.512 -7.783 -6.433
507 HB2 GLU 55 2HB GLU 55 0.733 -8.696 -5.952
508 HB3 GLU 55 1HB GLU 55 0.838 -7.662 -4.533
509 HG2 GLU 55 2HG GLU 55 -1.058 -8.813 -3.539
510 HG3 GLU 55 1HG GLU 55 -1.195 -9.835 -4.968
511 H LEU 56 H LEU 56 -0.055 -5.256 -4.423
512 HA LEU 56 HA LEU 56 -2.009 -5.252 -2.397
513 HG LEU 56 HG LEU 56 1.033 -4.869 -2.338
514 HB2 LEU 56 2HB LEU 56 -0.217 -3.037 -3.398
515 HB3 LEU 56 1HB LEU 56 -1.229 -2.900 -1.973
516 HD11 LEU 56 1HD1 LEU 56 0.824 -2.395 -0.629
517 HD12 LEU 56 2HD1 LEU 56 1.810 -2.572 -2.080
518 HD13 LEU 56 3HD1 LEU 56 2.171 -3.533 -0.645
519 HD21 LEU 56 3HD2 LEU 56 -0.750 -5.763 -0.931
520 HD22 LEU 56 1HD2 LEU 56 -0.711 -4.304 0.057
521 HD23 LEU 56 2HD2 LEU 56 0.683 -5.384 0.024
522 H ASN 57 H ASN 57 -1.743 -3.368 -5.399
523 HA ASN 57 HA ASN 57 -4.039 -1.793 -5.082
524 HB2 ASN 57 2HB ASN 57 -2.536 -2.763 -7.496
525 HB3 ASN 57 1HB ASN 57 -4.029 -1.856 -7.688
526 HD21 ASN 57 1HD2 ASN 57 -1.887 -1.218 -5.028
527 HD22 ASN 57 2HD2 ASN 57 -1.291 0.292 -5.611
528 H GLU 58 H GLU 58 -3.616 -5.019 -6.430
529 HA GLU 58 HA GLU 58 -6.275 -5.408 -7.293
530 HB2 GLU 58 2HB GLU 58 -4.245 -6.789 -7.882
531 HB3 GLU 58 1HB GLU 58 -4.373 -7.527 -6.299
532 HG2 GLU 58 2HG GLU 58 -6.543 -8.415 -6.831
533 HG3 GLU 58 1HG GLU 58 -6.531 -7.594 -8.391
534 H LEU 59 H LEU 59 -4.584 -6.221 -4.314
535 HA LEU 59 HA LEU 59 -6.724 -7.440 -2.972
536 HG LEU 59 HG LEU 59 -6.049 -6.394 -0.056
537 HB2 LEU 59 2HB LEU 59 -4.369 -7.585 -2.267
538 HB3 LEU 59 1HB LEU 59 -4.411 -5.894 -1.804
539 HD11 LEU 59 1HD1 LEU 59 -7.195 -8.266 -1.106
540 HD12 LEU 59 2HD1 LEU 59 -6.604 -8.713 0.494
541 HD13 LEU 59 3HD1 LEU 59 -5.744 -9.258 -0.944
542 HD21 LEU 59 3HD2 LEU 59 -3.607 -8.160 0.002
543 HD22 LEU 59 1HD2 LEU 59 -4.577 -7.714 1.406
544 HD23 LEU 59 2HD2 LEU 59 -3.697 -6.474 0.512
545 H ILE 60 H ILE 60 -5.768 -4.048 -3.236
546 HA ILE 60 HA ILE 60 -7.568 -2.914 -1.436
547 HB ILE 60 HB ILE 60 -6.649 -1.819 -4.105
548 HG12 ILE 60 2HG1 ILE 60 -5.664 -1.265 -1.297
549 HG13 ILE 60 1HG1 ILE 60 -4.843 -2.287 -2.474
550 HG21 ILE 60 1HG2 ILE 60 -8.683 -0.704 -3.399
551 HG22 ILE 60 2HG2 ILE 60 -7.304 0.383 -3.226
552 HG23 ILE 60 3HG2 ILE 60 -7.992 -0.404 -1.805
553 HD11 ILE 60 3HD1 ILE 60 -3.811 -0.103 -2.376
554 HD12 ILE 60 1HD1 ILE 60 -5.356 0.669 -2.734
555 HD13 ILE 60 2HD1 ILE 60 -4.573 -0.344 -3.946
556 H GLU 61 H GLU 61 -8.002 -3.544 -4.922
557 HA GLU 61 HA GLU 61 -10.699 -2.777 -5.015
558 HB2 GLU 61 2HB GLU 61 -9.321 -3.013 -7.032
559 HB3 GLU 61 1HB GLU 61 -9.209 -4.746 -6.766
560 HG2 GLU 61 2HG GLU 61 -11.953 -3.751 -6.904
561 HG3 GLU 61 1HG GLU 61 -11.021 -3.497 -8.377
562 H ALA 62 H ALA 62 -9.161 -5.898 -4.400
563 HA ALA 62 HA ALA 62 -11.358 -7.567 -4.409
564 HB1 ALA 62 3HB ALA 62 -10.096 -9.028 -2.929
565 HB2 ALA 62 1HB ALA 62 -9.008 -7.700 -2.525
566 HB3 ALA 62 2HB ALA 62 -9.045 -8.341 -4.168
567 H GLN 63 H GLN 63 -10.163 -5.549 -1.743
568 HA GLN 63 HA GLN 63 -12.238 -6.410 0.049
569 HB2 GLN 63 2HB GLN 63 -10.268 -4.128 0.222
570 HB3 GLN 63 1HB GLN 63 -11.365 -4.592 1.515
571 HG2 GLN 63 2HG GLN 63 -10.315 -6.817 1.562
572 HG3 GLN 63 1HG GLN 63 -9.170 -6.277 0.336
573 HE21 GLN 63 1HE2 GLN 63 -7.421 -6.622 1.716
574 HE22 GLN 63 2HE2 GLN 63 -7.075 -5.567 3.039
575 H ASN 64 H ASN 64 -11.758 -3.715 -2.138
576 HA ASN 64 HA ASN 64 -13.910 -2.144 -1.047
577 HB2 ASN 64 2HB ASN 64 -12.262 -1.869 -3.557
578 HB3 ASN 64 1HB ASN 64 -13.567 -0.763 -3.155
579 HD21 ASN 64 1HD2 ASN 64 -11.445 -2.180 -0.760
580 HD22 ASN 64 2HD2 ASN 64 -10.606 -0.726 -0.371
581 H HIS 65 H HIS 65 -13.556 -4.502 -3.566
582 HA HIS 65 HA HIS 65 -16.037 -3.856 -4.881
583 HD1 HIS 65 HD1 HIS 65 -16.605 -4.357 -7.448
584 HD2 HIS 65 HD2 HIS 65 -15.448 -8.222 -6.431
585 HE1 HIS 65 HE1 HIS 65 -17.932 -5.879 -8.944
586 HE2 HIS 65 HE2 HIS 65 -17.021 -8.183 -8.485
587 HB2 HIS 65 2HB HIS 65 -14.140 -4.752 -6.141
588 HB3 HIS 65 1HB HIS 65 -14.168 -6.219 -5.173
589 H GLN 66 H GLN 66 -15.051 -5.816 -2.246
590 HA GLN 66 HA GLN 66 -17.491 -7.427 -2.369
591 HB2 GLN 66 2HB GLN 66 -15.353 -8.591 -1.932
592 HB3 GLN 66 1HB GLN 66 -15.126 -7.613 -0.488
593 HG2 GLN 66 2HG GLN 66 -17.232 -8.570 0.418
594 HG3 GLN 66 1HG GLN 66 -17.299 -9.640 -0.979
595 HE21 GLN 66 1HE2 GLN 66 -17.109 -10.260 1.846
596 HE22 GLN 66 2HE2 GLN 66 -15.675 -11.213 2.043
597 H THR 67 H THR 67 -19.034 -7.375 -0.738
598 HA THR 67 HA THR 67 -18.961 -5.030 0.989
599 HB THR 67 HB THR 67 -21.036 -5.636 -0.352
600 HG1 THR 67 HG1 THR 67 -21.691 -4.297 1.153
601 HG21 THR 67 3HG2 THR 67 -21.011 -8.059 0.042
602 HG22 THR 67 1HG2 THR 67 -22.527 -7.338 0.588
603 HG23 THR 67 2HG2 THR 67 -21.288 -7.784 1.761
604 H LYS 68 H LYS 68 -19.960 -5.514 3.267
605 HA LYS 68 HA LYS 68 -18.037 -7.113 4.605
606 HB2 LYS 68 2HB LYS 68 -20.557 -5.788 5.622
607 HB3 LYS 68 1HB LYS 68 -19.299 -6.474 6.639
608 HG2 LYS 68 2HG LYS 68 -17.705 -4.855 5.834
609 HG3 LYS 68 1HG LYS 68 -18.888 -4.215 4.693
610 HD2 LYS 68 2HD LYS 68 -20.311 -3.525 6.571
611 HD3 LYS 68 1HD LYS 68 -19.111 -4.152 7.704
612 HE2 LYS 68 2HE LYS 68 -17.466 -2.565 6.863
613 HE3 LYS 68 1HE LYS 68 -18.630 -1.960 5.684
614 HZ1 LYS 68 3HZ LYS 68 -20.041 -1.241 7.534
615 HZ2 LYS 68 1HZ LYS 68 -18.516 -0.501 7.580
616 HZ3 LYS 68 2HZ LYS 68 -18.874 -1.774 8.643
617 H THR 69 H THR 69 -18.468 -8.899 6.036
618 HA THR 69 HA THR 69 -20.220 -10.871 4.980
619 HB THR 69 HB THR 69 -19.595 -12.018 7.239
620 HG1 THR 69 HG1 THR 69 -17.833 -11.096 8.274
621 HG21 THR 69 3HG2 THR 69 -18.632 -12.642 5.083
622 HG22 THR 69 1HG2 THR 69 -17.397 -12.650 6.340
623 HG23 THR 69 2HG2 THR 69 -17.484 -11.308 5.198
624 H ALA 70 H ALA 70 -22.332 -10.901 5.244
625 HA ALA 70 HA ALA 70 -24.435 -10.524 6.004
626 HB1 ALA 70 3HB ALA 70 -23.773 -11.672 8.058
627 HB2 ALA 70 1HB ALA 70 -24.873 -10.340 8.406
628 HB3 ALA 70 2HB ALA 70 -23.144 -10.160 8.710
629 H LEU 71 H LEU 71 -25.646 -8.685 7.498
630 HA LEU 71 HA LEU 71 -26.276 -6.501 7.548
631 HG LEU 71 HG LEU 71 -25.279 -5.571 9.593
632 HB2 LEU 71 2HB LEU 71 -23.293 -6.116 7.391
633 HB3 LEU 71 1HB LEU 71 -24.392 -4.753 7.380
634 HD11 LEU 71 1HD1 LEU 71 -23.828 -7.057 10.896
635 HD12 LEU 71 2HD1 LEU 71 -22.852 -7.353 9.457
636 HD13 LEU 71 3HD1 LEU 71 -24.537 -7.874 9.504
637 HD21 LEU 71 3HD2 LEU 71 -23.769 -3.701 9.437
638 HD22 LEU 71 1HD2 LEU 71 -22.382 -4.786 9.378
639 HD23 LEU 71 2HD2 LEU 71 -23.357 -4.682 10.844
640 H GLU 72 H GLU 72 -26.130 -8.030 5.100
641 HA GLU 72 HA GLU 72 -25.176 -6.437 2.950
642 HB2 GLU 72 2HB GLU 72 -27.235 -8.650 2.932
643 HB3 GLU 72 1HB GLU 72 -26.399 -8.010 1.523
644 HG2 GLU 72 2HG GLU 72 -24.315 -8.863 2.269
645 HG3 GLU 72 1HG GLU 72 -24.986 -9.282 3.844
646 H HIS 73 H HIS 73 -27.785 -6.073 4.969
647 HA HIS 73 HA HIS 73 -29.771 -4.995 4.931
648 HD1 HIS 73 HD1 HIS 73 -25.936 -3.143 4.247
649 HD2 HIS 73 HD2 HIS 73 -28.821 -2.103 1.438
650 HE1 HIS 73 HE1 HIS 73 -24.665 -2.197 2.290
651 HE2 HIS 73 HE2 HIS 73 -26.446 -1.384 0.696
652 HB2 HIS 73 2HB HIS 73 -29.620 -2.651 4.083
653 HB3 HIS 73 1HB HIS 73 -28.329 -3.114 5.178
654 H HIS 74 H HIS 74 -30.114 -6.940 3.313
655 HA HIS 74 HA HIS 74 -31.172 -5.906 0.772
656 HD1 HIS 74 HD1 HIS 74 -29.344 -7.221 -1.385
657 HD2 HIS 74 HD2 HIS 74 -32.857 -9.311 -0.632
658 HE1 HIS 74 HE1 HIS 74 -30.259 -7.847 -3.644
659 HE2 HIS 74 HE2 HIS 74 -32.252 -9.301 -3.147
660 HB2 HIS 74 2HB HIS 74 -29.610 -8.020 1.057
661 HB3 HIS 74 1HB HIS 74 -31.116 -8.818 1.494
Start of MODEL 6
1 HA MET 1 HA MET 1 2.846 9.507 7.993
2 H1 MET 1 1H MET 1 3.823 10.384 9.968
3 H2 MET 1 2H MET 1 4.292 11.319 8.630
4 H3 MET 1 3H MET 1 5.381 10.217 9.329
5 HB2 MET 1 2HB MET 1 4.396 8.489 6.275
6 HB3 MET 1 1HB MET 1 4.330 10.241 6.297
7 HG2 MET 1 2HG MET 1 6.588 9.672 6.001
8 HG3 MET 1 1HG MET 1 6.435 10.194 7.675
9 HE1 MET 1 3HE MET 1 9.237 7.430 7.770
10 HE2 MET 1 1HE MET 1 8.850 9.118 8.110
11 HE3 MET 1 2HE MET 1 8.923 8.548 6.441
12 H ARG 2 H ARG 2 3.319 7.014 7.229
13 HA ARG 2 HA ARG 2 3.786 5.721 9.832
14 HE ARG 2 HE ARG 2 -0.093 5.325 11.939
15 HB2 ARG 2 2HB ARG 2 1.815 5.194 7.659
16 HB3 ARG 2 1HB ARG 2 2.367 3.838 8.635
17 HG2 ARG 2 2HG ARG 2 1.049 6.347 9.662
18 HG3 ARG 2 1HG ARG 2 0.315 4.745 9.543
19 HD2 ARG 2 2HD ARG 2 1.987 3.872 11.105
20 HD3 ARG 2 1HD ARG 2 2.709 5.474 11.228
21 HH11 ARG 2 1HH1 ARG 2 3.229 5.254 13.042
22 HH12 ARG 2 2HH1 ARG 2 2.821 5.554 14.704
23 HH21 ARG 2 1HH2 ARG 2 -0.645 5.730 14.116
24 HH22 ARG 2 2HH2 ARG 2 0.610 5.807 15.324
25 H VAL 3 H VAL 3 5.036 3.949 10.044
26 HA VAL 3 HA VAL 3 6.381 2.935 7.628
27 HB VAL 3 HB VAL 3 7.672 3.304 10.345
28 HG11 VAL 3 1HG1 VAL 3 8.832 2.386 7.715
29 HG12 VAL 3 2HG1 VAL 3 8.572 1.393 9.149
30 HG13 VAL 3 3HG1 VAL 3 9.755 2.703 9.185
31 HG21 VAL 3 3HG2 VAL 3 8.080 4.868 7.793
32 HG22 VAL 3 1HG2 VAL 3 9.039 5.038 9.264
33 HG23 VAL 3 2HG2 VAL 3 7.326 5.458 9.275
34 H PHE 4 H PHE 4 6.216 0.791 7.384
35 HA PHE 4 HA PHE 4 5.401 -0.806 9.726
36 HD1 PHE 4 HD1 PHE 4 3.318 1.237 7.473
37 HD2 PHE 4 HD2 PHE 4 2.525 -2.380 9.564
38 HE1 PHE 4 HE1 PHE 4 1.227 2.198 8.329
39 HE2 PHE 4 HE2 PHE 4 0.427 -1.425 10.425
40 HZ PHE 4 HZ PHE 4 -0.223 0.865 9.805
41 HB2 PHE 4 2HB PHE 4 4.421 -0.945 6.884
42 HB3 PHE 4 1HB PHE 4 4.255 -2.305 7.986
43 HA PRO 5 HA PRO 5 9.251 -2.835 8.433
44 HB2 PRO 5 2HB PRO 5 9.192 -3.819 11.188
45 HB3 PRO 5 1HB PRO 5 10.432 -2.864 10.374
46 HG2 PRO 5 2HG PRO 5 8.860 -1.834 12.312
47 HG3 PRO 5 1HG PRO 5 9.458 -0.859 10.957
48 HD2 PRO 5 2HD PRO 5 6.760 -2.100 11.356
49 HD3 PRO 5 1HD PRO 5 7.178 -0.493 10.723
50 H VAL 6 H VAL 6 6.495 -4.035 10.250
51 HA VAL 6 HA VAL 6 6.980 -6.783 10.072
52 HB VAL 6 HB VAL 6 5.320 -5.893 11.592
53 HG11 VAL 6 1HG1 VAL 6 3.162 -5.048 10.819
54 HG12 VAL 6 2HG1 VAL 6 3.706 -5.181 9.147
55 HG13 VAL 6 3HG1 VAL 6 4.495 -4.046 10.242
56 HG21 VAL 6 3HG2 VAL 6 5.036 -8.202 10.938
57 HG22 VAL 6 1HG2 VAL 6 4.091 -7.719 9.529
58 HG23 VAL 6 2HG2 VAL 6 3.460 -7.445 11.152
59 H TYR 7 H TYR 7 5.478 -4.588 7.784
60 HA TYR 7 HA TYR 7 4.608 -4.809 5.714
61 HD1 TYR 7 HD2 TYR 7 4.840 -4.623 3.359
62 HD2 TYR 7 HD1 TYR 7 6.315 -8.586 3.822
63 HE1 TYR 7 HE2 TYR 7 4.084 -5.163 1.084
64 HE2 TYR 7 HE1 TYR 7 5.560 -9.136 1.550
65 HH TYR 7 HH TYR 7 4.607 -6.775 -0.690
66 HB2 TYR 7 2HB TYR 7 6.854 -5.462 5.085
67 HB3 TYR 7 1HB TYR 7 6.549 -7.123 5.579
68 H ALA 8 H ALA 8 2.538 -5.257 6.436
69 HA ALA 8 HA ALA 8 1.705 -8.033 5.934
70 HB1 ALA 8 3HB ALA 8 -0.088 -7.768 7.550
71 HB2 ALA 8 1HB ALA 8 0.418 -6.109 7.875
72 HB3 ALA 8 2HB ALA 8 1.466 -7.455 8.318
73 HA PRO 9 HA PRO 9 0.199 -5.887 2.259
74 HB2 PRO 9 2HB PRO 9 -1.332 -8.464 2.335
75 HB3 PRO 9 1HB PRO 9 -0.595 -7.639 0.956
76 HG2 PRO 9 2HG PRO 9 0.634 -9.694 2.134
77 HG3 PRO 9 1HG PRO 9 1.551 -8.298 1.537
78 HD2 PRO 9 2HD PRO 9 0.968 -9.115 4.314
79 HD3 PRO 9 1HD PRO 9 2.281 -8.101 3.686
80 H LYS 10 H LYS 10 -2.276 -7.790 4.044
81 HA LYS 10 HA LYS 10 -4.355 -6.099 3.128
82 HB2 LYS 10 2HB LYS 10 -5.857 -7.351 4.543
83 HB3 LYS 10 1HB LYS 10 -4.756 -8.454 3.736
84 HG2 LYS 10 2HG LYS 10 -4.099 -7.505 6.480
85 HG3 LYS 10 1HG LYS 10 -5.340 -8.738 6.265
86 HD2 LYS 10 2HD LYS 10 -2.552 -8.946 5.140
87 HD3 LYS 10 1HD LYS 10 -3.035 -9.619 6.700
88 HE2 LYS 10 2HE LYS 10 -4.767 -10.956 5.536
89 HE3 LYS 10 1HE LYS 10 -4.163 -10.342 3.996
90 HZ1 LYS 10 3HZ LYS 10 -3.246 -12.513 4.486
91 HZ2 LYS 10 1HZ LYS 10 -2.608 -11.942 5.953
92 HZ3 LYS 10 2HZ LYS 10 -2.021 -11.343 4.478
93 H LEU 11 H LEU 11 -2.436 -6.118 6.078
94 HA LEU 11 HA LEU 11 -4.095 -4.328 7.530
95 HG LEU 11 HG LEU 11 -3.644 -5.516 9.580
96 HB2 LEU 11 2HB LEU 11 -1.228 -5.172 7.813
97 HB3 LEU 11 1HB LEU 11 -1.876 -3.874 8.796
98 HD11 LEU 11 1HD1 LEU 11 -3.416 -7.162 7.813
99 HD12 LEU 11 2HD1 LEU 11 -3.106 -7.885 9.392
100 HD13 LEU 11 3HD1 LEU 11 -1.760 -7.493 8.321
101 HD21 LEU 11 3HD2 LEU 11 -1.786 -4.855 10.983
102 HD22 LEU 11 1HD2 LEU 11 -0.752 -6.059 10.219
103 HD23 LEU 11 2HD2 LEU 11 -2.125 -6.572 11.196
104 H ILE 12 H ILE 12 -1.289 -3.880 5.424
105 HA ILE 12 HA ILE 12 -0.928 -1.130 5.823
106 HB ILE 12 HB ILE 12 -0.412 -2.783 3.347
107 HG12 ILE 12 2HG1 ILE 12 1.444 -1.837 5.546
108 HG13 ILE 12 1HG1 ILE 12 0.825 -3.478 5.374
109 HG21 ILE 12 1HG2 ILE 12 -0.608 -0.406 2.790
110 HG22 ILE 12 2HG2 ILE 12 1.053 -0.975 2.616
111 HG23 ILE 12 3HG2 ILE 12 0.592 -0.019 4.022
112 HD11 ILE 12 3HD1 ILE 12 2.609 -2.054 3.412
113 HD12 ILE 12 1HD1 ILE 12 1.992 -3.694 3.245
114 HD13 ILE 12 2HD1 ILE 12 3.104 -3.302 4.555
115 H VAL 13 H VAL 13 -2.875 -2.860 3.407
116 HA VAL 13 HA VAL 13 -3.882 -0.535 2.153
117 HB VAL 13 HB VAL 13 -5.096 -3.305 2.218
118 HG11 VAL 13 1HG1 VAL 13 -5.524 -1.036 0.277
119 HG12 VAL 13 2HG1 VAL 13 -6.677 -1.585 1.494
120 HG13 VAL 13 3HG1 VAL 13 -6.228 -2.650 0.160
121 HG21 VAL 13 3HG2 VAL 13 -3.197 -2.056 0.231
122 HG22 VAL 13 1HG2 VAL 13 -3.946 -3.646 0.081
123 HG23 VAL 13 2HG2 VAL 13 -2.800 -3.328 1.385
124 H LYS 14 H LYS 14 -5.054 -2.518 4.834
125 HA LYS 14 HA LYS 14 -7.609 -1.325 5.020
126 HB2 LYS 14 2HB LYS 14 -6.992 -3.503 6.047
127 HB3 LYS 14 1HB LYS 14 -6.025 -2.635 7.231
128 HG2 LYS 14 2HG LYS 14 -8.196 -3.272 8.136
129 HG3 LYS 14 1HG LYS 14 -8.014 -1.518 8.074
130 HD2 LYS 14 2HD LYS 14 -10.225 -2.072 7.325
131 HD3 LYS 14 1HD LYS 14 -9.291 -1.530 5.929
132 HE2 LYS 14 2HE LYS 14 -10.539 -3.445 5.255
133 HE3 LYS 14 1HE LYS 14 -8.851 -3.935 5.397
134 HZ1 LYS 14 3HZ LYS 14 -10.961 -4.405 7.434
135 HZ2 LYS 14 1HZ LYS 14 -9.344 -4.897 7.558
136 HZ3 LYS 14 2HZ LYS 14 -10.343 -5.569 6.369
137 H HIS 15 H HIS 15 -4.468 -0.432 6.325
138 HA HIS 15 HA HIS 15 -5.575 1.705 7.919
139 HD1 HIS 15 HD1 HIS 15 -3.231 2.336 10.521
140 HD2 HIS 15 HD2 HIS 15 -3.838 -1.424 8.848
141 HE1 HIS 15 HE1 HIS 15 -3.375 0.750 12.459
142 HE2 HIS 15 HE2 HIS 15 -3.905 -1.492 11.437
143 HB2 HIS 15 2HB HIS 15 -2.779 0.822 7.252
144 HB3 HIS 15 1HB HIS 15 -3.070 2.373 8.026
145 H ALA 16 H ALA 16 -4.186 1.292 4.735
146 HA ALA 16 HA ALA 16 -3.839 3.999 4.055
147 HB1 ALA 16 3HB ALA 16 -3.845 3.248 1.740
148 HB2 ALA 16 1HB ALA 16 -4.503 1.689 2.234
149 HB3 ALA 16 2HB ALA 16 -2.885 2.166 2.748
150 H ARG 17 H ARG 17 -6.671 2.066 4.377
151 HA ARG 17 HA ARG 17 -8.503 3.407 2.749
152 HE ARG 17 HE ARG 17 -11.258 0.523 2.979
153 HB2 ARG 17 2HB ARG 17 -9.061 2.294 5.504
154 HB3 ARG 17 1HB ARG 17 -10.222 2.525 4.205
155 HG2 ARG 17 2HG ARG 17 -7.891 0.625 4.117
156 HG3 ARG 17 1HG ARG 17 -9.555 0.176 4.494
157 HD2 ARG 17 2HD ARG 17 -8.989 1.661 1.983
158 HD3 ARG 17 1HD ARG 17 -8.608 -0.059 2.057
159 HH11 ARG 17 1HH1 ARG 17 -9.321 0.039 0.100
160 HH12 ARG 17 2HH1 ARG 17 -10.649 -0.546 -0.857
161 HH21 ARG 17 1HH2 ARG 17 -13.008 -0.244 1.724
162 HH22 ARG 17 2HH2 ARG 17 -12.748 -0.688 0.060
163 H ILE 18 H ILE 18 -7.072 4.256 5.783
164 HA ILE 18 HA ILE 18 -8.875 6.542 6.125
165 HB ILE 18 HB ILE 18 -6.753 5.599 8.046
166 HG12 ILE 18 2HG1 ILE 18 -9.659 4.749 7.990
167 HG13 ILE 18 1HG1 ILE 18 -8.329 3.745 7.417
168 HG21 ILE 18 1HG2 ILE 18 -8.211 6.694 9.709
169 HG22 ILE 18 2HG2 ILE 18 -9.287 7.201 8.406
170 HG23 ILE 18 3HG2 ILE 18 -7.635 7.815 8.476
171 HD11 ILE 18 3HD1 ILE 18 -7.371 3.756 9.674
172 HD12 ILE 18 1HD1 ILE 18 -9.007 3.099 9.651
173 HD13 ILE 18 2HD1 ILE 18 -8.725 4.739 10.234
174 H PHE 19 H PHE 19 -5.486 5.673 5.802
175 HA PHE 19 HA PHE 19 -4.578 8.425 5.932
176 HD1 PHE 19 HD2 PHE 19 -3.727 8.553 7.955
177 HD2 PHE 19 HD1 PHE 19 -2.684 4.488 7.246
178 HE1 PHE 19 HE2 PHE 19 -3.794 8.119 10.375
179 HE2 PHE 19 HE1 PHE 19 -2.756 4.045 9.663
180 HZ PHE 19 HZ PHE 19 -3.311 5.861 11.233
181 HB2 PHE 19 2HB PHE 19 -3.019 5.875 5.452
182 HB3 PHE 19 1HB PHE 19 -2.325 7.465 5.755
183 H LEU 20 H LEU 20 -6.145 6.973 3.687
184 HA LEU 20 HA LEU 20 -5.130 6.464 1.365
185 HG LEU 20 HG LEU 20 -7.353 8.861 2.971
186 HB2 LEU 20 2HB LEU 20 -7.032 7.632 0.279
187 HB3 LEU 20 1HB LEU 20 -7.450 6.581 1.614
188 HD11 LEU 20 1HD1 LEU 20 -8.075 9.740 0.179
189 HD12 LEU 20 2HD1 LEU 20 -6.642 10.225 1.083
190 HD13 LEU 20 3HD1 LEU 20 -8.243 10.709 1.643
191 HD21 LEU 20 3HD2 LEU 20 -9.770 9.046 2.637
192 HD22 LEU 20 1HD2 LEU 20 -9.263 7.368 2.828
193 HD23 LEU 20 2HD2 LEU 20 -9.652 7.994 1.225
194 H THR 21 H THR 21 -4.913 9.831 2.514
195 HA THR 21 HA THR 21 -3.192 10.236 0.163
196 HB THR 21 HB THR 21 -5.052 11.757 0.008
197 HG1 THR 21 HG1 THR 21 -2.521 12.531 0.077
198 HG21 THR 21 3HG2 THR 21 -5.727 11.858 2.353
199 HG22 THR 21 1HG2 THR 21 -5.517 13.476 1.683
200 HG23 THR 21 2HG2 THR 21 -4.280 12.790 2.736
201 H GLY 22 H GLY 22 -1.320 9.476 1.036
202 HA2 GLY 22 2HA GLY 22 0.193 11.178 2.700
203 HA3 GLY 22 1HA GLY 22 -0.449 9.855 3.659
204 H VAL 23 H VAL 23 1.944 9.526 3.912
205 HA VAL 23 HA VAL 23 2.976 7.857 1.714
206 HB VAL 23 HB VAL 23 4.654 9.576 3.556
207 HG11 VAL 23 1HG1 VAL 23 5.419 7.981 1.111
208 HG12 VAL 23 2HG1 VAL 23 5.787 7.552 2.782
209 HG13 VAL 23 3HG1 VAL 23 6.498 8.999 2.066
210 HG21 VAL 23 3HG2 VAL 23 3.956 10.017 0.655
211 HG22 VAL 23 1HG2 VAL 23 5.091 10.979 1.601
212 HG23 VAL 23 2HG2 VAL 23 3.378 10.973 2.020
213 H ILE 24 H ILE 24 3.853 5.915 2.272
214 HA ILE 24 HA ILE 24 4.141 5.317 5.135
215 HB ILE 24 HB ILE 24 2.002 4.369 4.339
216 HG12 ILE 24 2HG1 ILE 24 4.142 2.314 4.926
217 HG13 ILE 24 1HG1 ILE 24 3.196 3.207 6.114
218 HG21 ILE 24 1HG2 ILE 24 2.556 4.050 1.998
219 HG22 ILE 24 2HG2 ILE 24 1.989 2.540 2.716
220 HG23 ILE 24 3HG2 ILE 24 3.712 2.788 2.429
221 HD11 ILE 24 3HD1 ILE 24 2.140 1.197 4.139
222 HD12 ILE 24 1HD1 ILE 24 1.163 2.111 5.287
223 HD13 ILE 24 2HD1 ILE 24 2.359 0.955 5.871
224 H TRP 25 H TRP 25 5.937 4.142 5.646
225 HA TRP 25 HA TRP 25 7.604 3.267 3.389
226 HD1 TRP 25 HD1 TRP 25 7.245 6.281 4.224
227 HE1 TRP 25 HE1 TRP 25 8.730 7.999 3.007
228 HE3 TRP 25 HE3 TRP 25 11.695 3.803 4.488
229 HZ2 TRP 25 HZ2 TRP 25 11.441 8.252 2.249
230 HZ3 TRP 25 HZ3 TRP 25 13.689 4.845 3.491
231 HH2 TRP 25 HH2 TRP 25 13.565 7.022 2.393
232 HB2 TRP 25 2HB TRP 25 8.327 4.251 6.129
233 HB3 TRP 25 1HB TRP 25 9.450 3.262 5.200
234 H VAL 26 H VAL 26 7.837 1.243 3.078
235 HA VAL 26 HA VAL 26 7.281 -0.621 5.296
236 HB VAL 26 HB VAL 26 7.415 -1.413 2.410
237 HG11 VAL 26 1HG1 VAL 26 7.575 -3.192 4.052
238 HG12 VAL 26 2HG1 VAL 26 6.069 -3.305 3.142
239 HG13 VAL 26 3HG1 VAL 26 6.060 -2.663 4.786
240 HG21 VAL 26 3HG2 VAL 26 4.959 -0.496 3.901
241 HG22 VAL 26 1HG2 VAL 26 4.961 -1.250 2.307
242 HG23 VAL 26 2HG2 VAL 26 5.720 0.325 2.539
243 H LYS 27 H LYS 27 8.758 -2.211 5.761
244 HA LYS 27 HA LYS 27 11.460 -1.434 5.425
245 HB2 LYS 27 2HB LYS 27 10.689 -2.584 7.433
246 HB3 LYS 27 1HB LYS 27 10.320 -4.022 6.490
247 HG2 LYS 27 2HG LYS 27 12.753 -4.136 5.897
248 HG3 LYS 27 1HG LYS 27 13.025 -2.843 7.067
249 HD2 LYS 27 2HD LYS 27 13.472 -4.976 8.108
250 HD3 LYS 27 1HD LYS 27 12.022 -4.266 8.822
251 HE2 LYS 27 2HE LYS 27 10.616 -5.694 7.460
252 HE3 LYS 27 1HE LYS 27 12.031 -6.352 6.643
253 HZ1 LYS 27 3HZ LYS 27 11.139 -7.801 8.407
254 HZ2 LYS 27 1HZ LYS 27 11.504 -6.606 9.554
255 HZ3 LYS 27 2HZ LYS 27 12.754 -7.349 8.678
256 H ASP 28 H ASP 28 9.442 -3.810 3.831
257 HA ASP 28 HA ASP 28 11.778 -4.943 2.487
258 HB2 ASP 28 2HB ASP 28 9.968 -6.357 3.642
259 HB3 ASP 28 1HB ASP 28 8.951 -5.954 2.263
260 H LEU 29 H LEU 29 9.805 -2.425 1.923
261 HA LEU 29 HA LEU 29 9.819 -2.890 -0.986
262 HG LEU 29 HG LEU 29 7.387 -3.968 0.588
263 HB2 LEU 29 2HB LEU 29 7.674 -1.527 0.639
264 HB3 LEU 29 1HB LEU 29 7.749 -1.495 -1.110
265 HD11 LEU 29 1HD1 LEU 29 5.447 -2.513 -1.206
266 HD12 LEU 29 2HD1 LEU 29 5.429 -2.491 0.557
267 HD13 LEU 29 3HD1 LEU 29 5.131 -3.996 -0.309
268 HD21 LEU 29 3HD2 LEU 29 8.621 -4.426 -1.471
269 HD22 LEU 29 1HD2 LEU 29 7.361 -3.628 -2.410
270 HD23 LEU 29 2HD2 LEU 29 6.998 -5.114 -1.530
271 H GLY 30 H GLY 30 9.693 -0.389 1.538
272 HA2 GLY 30 2HA GLY 30 11.364 1.425 1.354
273 HA3 GLY 30 1HA GLY 30 11.001 1.450 -0.369
274 H ARG 31 H ARG 31 10.252 3.554 -0.463
275 HA ARG 31 HA ARG 31 8.127 4.377 1.327
276 HE ARG 31 HE ARG 31 11.342 7.231 -0.309
277 HB2 ARG 31 2HB ARG 31 8.246 6.527 0.225
278 HB3 ARG 31 1HB ARG 31 9.871 5.989 0.624
279 HG2 ARG 31 2HG ARG 31 10.284 5.361 -1.657
280 HG3 ARG 31 1HG ARG 31 8.611 5.712 -2.096
281 HD2 ARG 31 2HD ARG 31 10.041 7.532 -2.788
282 HD3 ARG 31 1HD ARG 31 8.972 8.068 -1.497
283 HH11 ARG 31 1HH1 ARG 31 10.331 9.663 -2.599
284 HH12 ARG 31 2HH1 ARG 31 11.483 10.845 -2.068
285 HH21 ARG 31 1HH2 ARG 31 12.884 8.781 0.405
286 HH22 ARG 31 2HH2 ARG 31 12.944 10.343 -0.353
287 H LEU 32 H LEU 32 6.003 4.472 0.838
288 HA LEU 32 HA LEU 32 5.219 3.973 -1.954
289 HG LEU 32 HG LEU 32 5.789 1.505 -0.219
290 HB2 LEU 32 2HB LEU 32 3.910 2.914 0.555
291 HB3 LEU 32 1HB LEU 32 3.195 2.819 -1.044
292 HD11 LEU 32 1HD1 LEU 32 3.055 0.331 -0.696
293 HD12 LEU 32 2HD1 LEU 32 3.878 0.461 0.856
294 HD13 LEU 32 3HD1 LEU 32 4.532 -0.587 -0.401
295 HD21 LEU 32 3HD2 LEU 32 5.629 0.363 -2.375
296 HD22 LEU 32 1HD2 LEU 32 5.749 2.112 -2.580
297 HD23 LEU 32 2HD2 LEU 32 4.190 1.307 -2.767
298 H GLU 33 H GLU 33 4.459 5.823 -2.681
299 HA GLU 33 HA GLU 33 2.901 7.548 -0.897
300 HB2 GLU 33 2HB GLU 33 4.142 8.142 -3.595
301 HB3 GLU 33 1HB GLU 33 3.292 9.303 -2.581
302 HG2 GLU 33 2HG GLU 33 4.991 9.109 -0.872
303 HG3 GLU 33 1HG GLU 33 5.813 7.854 -1.796
304 H PHE 34 H PHE 34 0.783 7.432 -1.038
305 HA PHE 34 HA PHE 34 -0.407 6.641 -3.602
306 HD1 PHE 34 HD2 PHE 34 -2.680 6.900 -0.134
307 HD2 PHE 34 HD1 PHE 34 0.534 4.128 -0.367
308 HE1 PHE 34 HE2 PHE 34 -2.547 6.856 2.321
309 HE2 PHE 34 HE1 PHE 34 0.669 4.075 2.088
310 HZ PHE 34 HZ PHE 34 -0.872 5.439 3.437
311 HB2 PHE 34 2HB PHE 34 -2.195 5.478 -2.198
312 HB3 PHE 34 1HB PHE 34 -0.626 4.689 -2.296
313 H GLU 35 H GLU 35 -2.611 7.313 -3.904
314 HA GLU 35 HA GLU 35 -3.440 9.581 -2.242
315 HB2 GLU 35 2HB GLU 35 -2.250 10.552 -4.126
316 HB3 GLU 35 1HB GLU 35 -3.192 9.596 -5.259
317 HG2 GLU 35 2HG GLU 35 -5.172 10.818 -4.749
318 HG3 GLU 35 1HG GLU 35 -4.378 11.661 -3.421
319 H LYS 36 H LYS 36 -5.588 9.664 -1.887
320 HA LYS 36 HA LYS 36 -7.785 9.086 -1.835
321 HB2 LYS 36 2HB LYS 36 -7.309 8.077 -4.650
322 HB3 LYS 36 1HB LYS 36 -8.881 8.343 -3.909
323 HG2 LYS 36 2HG LYS 36 -8.496 10.703 -3.801
324 HG3 LYS 36 1HG LYS 36 -6.834 10.502 -4.351
325 HD2 LYS 36 2HD LYS 36 -7.786 9.489 -6.459
326 HD3 LYS 36 1HD LYS 36 -9.370 10.038 -5.903
327 HE2 LYS 36 2HE LYS 36 -6.959 11.766 -6.447
328 HE3 LYS 36 1HE LYS 36 -8.404 11.643 -7.449
329 HZ1 LYS 36 3HZ LYS 36 -8.305 12.676 -4.663
330 HZ2 LYS 36 1HZ LYS 36 -9.704 12.545 -5.620
331 HZ3 LYS 36 2HZ LYS 36 -8.463 13.611 -6.067
332 H GLY 37 H GLY 37 -5.498 7.141 -1.293
333 HA2 GLY 37 2HA GLY 37 -5.466 5.046 -0.307
334 HA3 GLY 37 1HA GLY 37 -7.171 4.867 -0.710
335 H ARG 38 H ARG 38 -5.038 5.787 -3.233
336 HA ARG 38 HA ARG 38 -4.961 3.005 -4.229
337 HE ARG 38 HE ARG 38 -6.762 2.068 -8.744
338 HB2 ARG 38 2HB ARG 38 -6.626 4.603 -5.381
339 HB3 ARG 38 1HB ARG 38 -5.212 5.441 -6.003
340 HG2 ARG 38 2HG ARG 38 -4.482 3.382 -7.108
341 HG3 ARG 38 1HG ARG 38 -5.911 2.552 -6.488
342 HD2 ARG 38 2HD ARG 38 -7.303 4.274 -7.678
343 HD3 ARG 38 1HD ARG 38 -5.817 4.847 -8.437
344 HH11 ARG 38 1HH1 ARG 38 -5.638 5.084 -10.118
345 HH12 ARG 38 2HH1 ARG 38 -5.502 4.443 -11.730
346 HH21 ARG 38 1HH2 ARG 38 -6.630 1.244 -10.855
347 HH22 ARG 38 2HH2 ARG 38 -6.067 2.261 -12.144
348 H PHE 39 H PHE 39 -3.067 2.386 -4.039
349 HA PHE 39 HA PHE 39 -0.676 3.739 -3.968
350 HD1 PHE 39 HD1 PHE 39 1.342 2.133 -2.746
351 HD2 PHE 39 HD2 PHE 39 -2.566 0.457 -2.732
352 HE1 PHE 39 HE1 PHE 39 1.576 1.615 -0.352
353 HE2 PHE 39 HE2 PHE 39 -2.342 -0.060 -0.338
354 HZ PHE 39 HZ PHE 39 -0.268 0.518 0.855
355 HB2 PHE 39 2HB PHE 39 -1.549 0.997 -4.755
356 HB3 PHE 39 1HB PHE 39 0.163 1.432 -4.857
357 H LEU 40 H LEU 40 0.501 4.774 -5.446
358 HA LEU 40 HA LEU 40 -0.444 4.931 -8.168
359 HG LEU 40 HG LEU 40 -0.134 7.006 -5.794
360 HB2 LEU 40 2HB LEU 40 1.947 6.240 -6.865
361 HB3 LEU 40 1HB LEU 40 1.281 6.645 -8.436
362 HD11 LEU 40 1HD1 LEU 40 1.705 8.560 -6.037
363 HD12 LEU 40 2HD1 LEU 40 0.169 9.402 -6.230
364 HD13 LEU 40 3HD1 LEU 40 1.143 9.010 -7.647
365 HD21 LEU 40 3HD2 LEU 40 -1.791 8.244 -7.112
366 HD22 LEU 40 1HD2 LEU 40 -1.702 6.550 -7.594
367 HD23 LEU 40 2HD2 LEU 40 -0.944 7.793 -8.593
368 H LEU 41 H LEU 41 0.909 4.570 -10.025
369 HA LEU 41 HA LEU 41 2.757 2.331 -9.596
370 HG LEU 41 HG LEU 41 0.307 0.869 -11.987
371 HB2 LEU 41 2HB LEU 41 1.272 3.193 -12.079
372 HB3 LEU 41 1HB LEU 41 2.428 1.881 -12.030
373 HD11 LEU 41 1HD1 LEU 41 1.881 -0.086 -10.397
374 HD12 LEU 41 2HD1 LEU 41 0.219 -0.246 -9.828
375 HD13 LEU 41 3HD1 LEU 41 1.274 0.989 -9.140
376 HD21 LEU 41 3HD2 LEU 41 -0.466 2.772 -9.780
377 HD22 LEU 41 1HD2 LEU 41 -1.467 1.470 -10.419
378 HD23 LEU 41 2HD2 LEU 41 -1.029 2.829 -11.451
379 HA PRO 42 HA PRO 42 5.799 5.341 -11.042
380 HB2 PRO 42 2HB PRO 42 7.813 4.531 -9.468
381 HB3 PRO 42 1HB PRO 42 6.488 5.522 -8.846
382 HG2 PRO 42 2HG PRO 42 7.036 2.636 -8.451
383 HG3 PRO 42 1HG PRO 42 6.206 3.782 -7.387
384 HD2 PRO 42 2HD PRO 42 5.024 1.894 -9.155
385 HD3 PRO 42 1HD PRO 42 4.196 3.143 -8.206
386 H ARG 43 H ARG 43 6.939 5.024 -12.851
387 HA ARG 43 HA ARG 43 7.682 2.386 -13.728
388 HE ARG 43 HE ARG 43 7.184 7.482 -15.999
389 HB2 ARG 43 2HB ARG 43 8.375 3.416 -15.750
390 HB3 ARG 43 1HB ARG 43 6.944 4.298 -15.240
391 HG2 ARG 43 2HG ARG 43 8.364 6.075 -14.337
392 HG3 ARG 43 1HG ARG 43 9.795 5.190 -14.864
393 HD2 ARG 43 2HD ARG 43 9.456 6.738 -16.564
394 HD3 ARG 43 1HD ARG 43 8.726 5.264 -17.196
395 HH11 ARG 43 1HH1 ARG 43 7.515 4.872 -18.316
396 HH12 ARG 43 2HH1 ARG 43 6.054 5.282 -19.167
397 HH21 ARG 43 1HH2 ARG 43 5.272 7.992 -17.080
398 HH22 ARG 43 2HH2 ARG 43 4.748 7.038 -18.434
399 H LYS 44 H LYS 44 9.976 1.932 -14.425
400 HA LYS 44 HA LYS 44 12.161 1.607 -13.869
401 HB2 LYS 44 2HB LYS 44 12.472 3.894 -14.590
402 HB3 LYS 44 1HB LYS 44 11.902 4.507 -13.048
403 HG2 LYS 44 2HG LYS 44 13.889 3.462 -11.974
404 HG3 LYS 44 1HG LYS 44 14.480 3.054 -13.588
405 HD2 LYS 44 2HD LYS 44 14.649 5.340 -14.201
406 HD3 LYS 44 1HD LYS 44 13.742 5.861 -12.780
407 HE2 LYS 44 2HE LYS 44 15.585 5.038 -11.354
408 HE3 LYS 44 1HE LYS 44 16.492 4.631 -12.812
409 HZ1 LYS 44 3HZ LYS 44 16.578 6.908 -13.433
410 HZ2 LYS 44 1HZ LYS 44 17.072 6.819 -11.813
411 HZ3 LYS 44 2HZ LYS 44 15.517 7.361 -12.195
412 H SER 45 H SER 45 11.562 0.055 -12.297
413 HA SER 45 HA SER 45 11.880 0.918 -9.525
414 HG SER 45 HG SER 45 9.684 -1.260 -11.260
415 HB2 SER 45 2HB SER 45 9.782 -0.485 -8.991
416 HB3 SER 45 1HB SER 45 9.538 1.112 -9.701
417 H LEU 46 H LEU 46 11.731 -1.078 -8.035
418 HA LEU 46 HA LEU 46 13.441 -3.153 -9.082
419 HG LEU 46 HG LEU 46 13.705 -1.102 -6.739
420 HB2 LEU 46 2HB LEU 46 12.050 -2.912 -6.408
421 HB3 LEU 46 1HB LEU 46 13.284 -4.090 -6.808
422 HD11 LEU 46 1HD1 LEU 46 15.002 -1.546 -4.711
423 HD12 LEU 46 2HD1 LEU 46 14.532 -3.243 -4.786
424 HD13 LEU 46 3HD1 LEU 46 13.310 -2.001 -4.514
425 HD21 LEU 46 3HD2 LEU 46 16.082 -1.677 -6.915
426 HD22 LEU 46 1HD2 LEU 46 15.172 -2.202 -8.330
427 HD23 LEU 46 2HD2 LEU 46 15.651 -3.376 -7.106
428 HA PRO 47 HA PRO 47 10.446 -5.912 -10.744
429 HB2 PRO 47 2HB PRO 47 12.043 -7.987 -9.306
430 HB3 PRO 47 1HB PRO 47 11.518 -7.940 -10.992
431 HG2 PRO 47 2HG PRO 47 14.033 -7.373 -10.351
432 HG3 PRO 47 1HG PRO 47 13.189 -6.457 -11.611
433 HD2 PRO 47 2HD PRO 47 13.863 -5.664 -8.821
434 HD3 PRO 47 1HD PRO 47 13.778 -4.669 -10.288
435 H LYS 48 H LYS 48 11.478 -6.873 -7.457
436 HA LYS 48 HA LYS 48 9.113 -8.233 -6.790
437 HB2 LYS 48 2HB LYS 48 11.208 -8.500 -5.541
438 HB3 LYS 48 1HB LYS 48 11.087 -6.843 -4.968
439 HG2 LYS 48 2HG LYS 48 8.912 -7.491 -3.879
440 HG3 LYS 48 1HG LYS 48 9.310 -9.164 -4.272
441 HD2 LYS 48 2HD LYS 48 9.975 -8.624 -1.988
442 HD3 LYS 48 1HD LYS 48 11.389 -8.964 -2.986
443 HE2 LYS 48 2HE LYS 48 11.844 -6.604 -3.222
444 HE3 LYS 48 1HE LYS 48 10.359 -6.199 -2.363
445 HZ1 LYS 48 3HZ LYS 48 11.242 -7.169 -0.369
446 HZ2 LYS 48 1HZ LYS 48 12.352 -6.030 -0.965
447 HZ3 LYS 48 2HZ LYS 48 12.644 -7.686 -1.176
448 H VAL 49 H VAL 49 10.123 -4.900 -6.162
449 HA VAL 49 HA VAL 49 7.904 -4.194 -4.570
450 HB VAL 49 HB VAL 49 9.694 -2.374 -6.188
451 HG11 VAL 49 1HG1 VAL 49 7.934 -1.793 -3.811
452 HG12 VAL 49 2HG1 VAL 49 7.646 -1.268 -5.469
453 HG13 VAL 49 3HG1 VAL 49 9.036 -0.651 -4.578
454 HG21 VAL 49 3HG2 VAL 49 10.962 -2.101 -4.108
455 HG22 VAL 49 1HG2 VAL 49 10.986 -3.771 -4.672
456 HG23 VAL 49 2HG2 VAL 49 9.938 -3.307 -3.332
457 H LYS 50 H LYS 50 8.611 -3.665 -8.013
458 HA LYS 50 HA LYS 50 6.348 -2.185 -8.685
459 HB2 LYS 50 2HB LYS 50 8.222 -2.483 -10.224
460 HB3 LYS 50 1HB LYS 50 7.864 -4.201 -10.356
461 HG2 LYS 50 2HG LYS 50 5.642 -3.588 -11.307
462 HG3 LYS 50 1HG LYS 50 6.182 -1.909 -11.332
463 HD2 LYS 50 2HD LYS 50 8.032 -2.524 -12.803
464 HD3 LYS 50 1HD LYS 50 7.503 -4.209 -12.769
465 HE2 LYS 50 2HE LYS 50 6.741 -3.126 -14.804
466 HE3 LYS 50 1HE LYS 50 5.370 -3.549 -13.783
467 HZ1 LYS 50 3HZ LYS 50 6.597 -0.847 -13.921
468 HZ2 LYS 50 1HZ LYS 50 5.197 -1.276 -13.068
469 HZ3 LYS 50 2HZ LYS 50 5.203 -1.313 -14.763
470 H GLN 51 H GLN 51 6.836 -5.701 -9.007
471 HA GLN 51 HA GLN 51 4.243 -6.260 -9.909
472 HB2 GLN 51 2HB GLN 51 6.175 -8.066 -8.452
473 HB3 GLN 51 1HB GLN 51 4.773 -8.594 -9.369
474 HG2 GLN 51 2HG GLN 51 7.235 -7.245 -10.441
475 HG3 GLN 51 1HG GLN 51 6.741 -8.918 -10.689
476 HE21 GLN 51 1HE2 GLN 51 4.995 -9.349 -12.066
477 HE22 GLN 51 2HE2 GLN 51 4.473 -8.201 -13.248
478 H ALA 52 H ALA 52 5.563 -5.876 -6.706
479 HA ALA 52 HA ALA 52 3.437 -7.081 -5.270
480 HB1 ALA 52 3HB ALA 52 5.347 -4.931 -4.357
481 HB2 ALA 52 1HB ALA 52 5.631 -6.670 -4.258
482 HB3 ALA 52 2HB ALA 52 4.333 -5.932 -3.321
483 H ILE 53 H ILE 53 4.106 -3.720 -6.219
484 HA ILE 53 HA ILE 53 1.887 -2.540 -4.964
485 HB ILE 53 HB ILE 53 3.270 -1.646 -7.503
486 HG12 ILE 53 2HG1 ILE 53 3.753 -0.808 -4.635
487 HG13 ILE 53 1HG1 ILE 53 4.780 -1.913 -5.543
488 HG21 ILE 53 1HG2 ILE 53 2.391 0.570 -6.979
489 HG22 ILE 53 2HG2 ILE 53 1.553 -0.084 -5.572
490 HG23 ILE 53 3HG2 ILE 53 1.082 -0.591 -7.193
491 HD11 ILE 53 3HD1 ILE 53 4.256 0.972 -6.225
492 HD12 ILE 53 1HD1 ILE 53 5.291 -0.133 -7.128
493 HD13 ILE 53 2HD1 ILE 53 5.718 0.327 -5.480
494 H LEU 54 H LEU 54 2.271 -3.965 -8.172
495 HA LEU 54 HA LEU 54 -0.235 -3.303 -9.223
496 HG LEU 54 HG LEU 54 0.371 -3.467 -11.614
497 HB2 LEU 54 2HB LEU 54 1.780 -5.417 -9.782
498 HB3 LEU 54 1HB LEU 54 0.174 -5.632 -10.448
499 HD11 LEU 54 1HD1 LEU 54 3.194 -3.450 -10.560
500 HD12 LEU 54 2HD1 LEU 54 1.898 -2.356 -10.070
501 HD13 LEU 54 3HD1 LEU 54 2.508 -2.315 -11.728
502 HD21 LEU 54 3HD2 LEU 54 2.027 -4.171 -13.273
503 HD22 LEU 54 1HD2 LEU 54 0.993 -5.511 -12.770
504 HD23 LEU 54 2HD2 LEU 54 2.638 -5.382 -12.145
505 H GLU 55 H GLU 55 0.762 -6.075 -7.249
506 HA GLU 55 HA GLU 55 -1.890 -7.199 -7.327
507 HB2 GLU 55 2HB GLU 55 0.576 -7.969 -5.772
508 HB3 GLU 55 1HB GLU 55 -0.957 -8.832 -5.660
509 HG2 GLU 55 2HG GLU 55 -0.840 -9.184 -8.131
510 HG3 GLU 55 1HG GLU 55 0.784 -8.505 -8.091
511 H LEU 56 H LEU 56 -0.151 -5.004 -5.283
512 HA LEU 56 HA LEU 56 -1.926 -5.095 -3.075
513 HG LEU 56 HG LEU 56 1.066 -4.756 -2.996
514 HB2 LEU 56 2HB LEU 56 -0.111 -2.936 -4.137
515 HB3 LEU 56 1HB LEU 56 -1.121 -2.688 -2.727
516 HD11 LEU 56 1HD1 LEU 56 1.928 -2.498 -2.780
517 HD12 LEU 56 2HD1 LEU 56 2.199 -3.407 -1.291
518 HD13 LEU 56 3HD1 LEU 56 0.898 -2.217 -1.376
519 HD21 LEU 56 3HD2 LEU 56 0.654 -5.258 -0.658
520 HD22 LEU 56 1HD2 LEU 56 -0.809 -5.535 -1.604
521 HD23 LEU 56 2HD2 LEU 56 -0.662 -4.084 -0.613
522 H ASN 57 H ASN 57 -1.899 -3.296 -6.115
523 HA ASN 57 HA ASN 57 -4.264 -1.817 -5.686
524 HB2 ASN 57 2HB ASN 57 -3.048 -2.846 -8.262
525 HB3 ASN 57 1HB ASN 57 -4.418 -1.746 -8.195
526 HD21 ASN 57 1HD2 ASN 57 -3.254 -0.385 -5.821
527 HD22 ASN 57 2HD2 ASN 57 -2.008 0.627 -6.463
528 H GLU 58 H GLU 58 -3.684 -5.047 -6.974
529 HA GLU 58 HA GLU 58 -6.309 -5.762 -7.622
530 HB2 GLU 58 2HB GLU 58 -4.325 -7.130 -8.154
531 HB3 GLU 58 1HB GLU 58 -4.117 -7.484 -6.452
532 HG2 GLU 58 2HG GLU 58 -5.148 -9.377 -7.321
533 HG3 GLU 58 1HG GLU 58 -6.444 -8.489 -6.527
534 H LEU 59 H LEU 59 -4.475 -6.197 -4.638
535 HA LEU 59 HA LEU 59 -6.457 -7.338 -3.057
536 HG LEU 59 HG LEU 59 -5.835 -5.938 -0.348
537 HB2 LEU 59 2HB LEU 59 -4.074 -7.201 -2.452
538 HB3 LEU 59 1HB LEU 59 -4.247 -5.477 -2.190
539 HD11 LEU 59 1HD1 LEU 59 -6.680 -8.089 -1.094
540 HD12 LEU 59 2HD1 LEU 59 -6.012 -8.213 0.532
541 HD13 LEU 59 3HD1 LEU 59 -5.091 -8.815 -0.846
542 HD21 LEU 59 3HD2 LEU 59 -4.170 -6.722 1.241
543 HD22 LEU 59 1HD2 LEU 59 -3.457 -5.588 0.091
544 HD23 LEU 59 2HD2 LEU 59 -3.170 -7.319 -0.084
545 H ILE 60 H ILE 60 -5.870 -3.949 -3.814
546 HA ILE 60 HA ILE 60 -7.675 -2.797 -2.004
547 HB ILE 60 HB ILE 60 -6.888 -1.892 -4.777
548 HG12 ILE 60 2HG1 ILE 60 -5.986 -0.973 -2.035
549 HG13 ILE 60 1HG1 ILE 60 -5.057 -1.999 -3.124
550 HG21 ILE 60 1HG2 ILE 60 -9.033 -0.910 -4.201
551 HG22 ILE 60 2HG2 ILE 60 -7.765 0.317 -4.142
552 HG23 ILE 60 3HG2 ILE 60 -8.394 -0.373 -2.646
553 HD11 ILE 60 3HD1 ILE 60 -4.302 0.322 -3.169
554 HD12 ILE 60 1HD1 ILE 60 -5.906 0.832 -3.692
555 HD13 ILE 60 2HD1 ILE 60 -4.923 -0.194 -4.737
556 H GLU 61 H GLU 61 -8.211 -3.723 -5.415
557 HA GLU 61 HA GLU 61 -11.027 -3.233 -5.225
558 HB2 GLU 61 2HB GLU 61 -9.717 -2.977 -7.326
559 HB3 GLU 61 1HB GLU 61 -9.499 -4.719 -7.368
560 HG2 GLU 61 2HG GLU 61 -11.267 -3.986 -8.877
561 HG3 GLU 61 1HG GLU 61 -11.888 -5.043 -7.611
562 H ALA 62 H ALA 62 -9.053 -5.805 -4.282
563 HA ALA 62 HA ALA 62 -11.051 -7.864 -4.526
564 HB1 ALA 62 3HB ALA 62 -8.503 -7.798 -2.910
565 HB2 ALA 62 1HB ALA 62 -8.685 -8.464 -4.532
566 HB3 ALA 62 2HB ALA 62 -9.514 -9.217 -3.169
567 H GLN 63 H GLN 63 -9.916 -5.641 -2.053
568 HA GLN 63 HA GLN 63 -11.742 -6.645 -0.060
569 HB2 GLN 63 2HB GLN 63 -9.941 -4.220 -0.139
570 HB3 GLN 63 1HB GLN 63 -10.986 -4.605 1.224
571 HG2 GLN 63 2HG GLN 63 -9.830 -6.716 1.529
572 HG3 GLN 63 1HG GLN 63 -8.801 -6.374 0.144
573 HE21 GLN 63 1HE2 GLN 63 -7.175 -4.860 0.332
574 HE22 GLN 63 2HE2 GLN 63 -6.636 -4.264 1.864
575 H ASN 64 H ASN 64 -11.581 -3.975 -2.340
576 HA ASN 64 HA ASN 64 -14.079 -2.814 -1.649
577 HB2 ASN 64 2HB ASN 64 -12.487 -2.821 -4.219
578 HB3 ASN 64 1HB ASN 64 -14.041 -2.010 -4.085
579 HD21 ASN 64 1HD2 ASN 64 -13.176 -0.005 -4.475
580 HD22 ASN 64 2HD2 ASN 64 -12.196 0.826 -3.320
581 H HIS 65 H HIS 65 -13.360 -4.609 -4.621
582 HA HIS 65 HA HIS 65 -14.487 -6.173 -5.812
583 HD1 HIS 65 HD1 HIS 65 -13.721 -8.652 -5.973
584 HD2 HIS 65 HD2 HIS 65 -17.392 -9.086 -4.064
585 HE1 HIS 65 HE1 HIS 65 -14.718 -10.767 -6.896
586 HE2 HIS 65 HE2 HIS 65 -16.917 -11.049 -5.694
587 HB2 HIS 65 2HB HIS 65 -14.133 -7.343 -3.531
588 HB3 HIS 65 1HB HIS 65 -15.840 -7.026 -3.255
589 H GLN 66 H GLN 66 -15.561 -3.574 -5.467
590 HA GLN 66 HA GLN 66 -18.391 -3.790 -4.939
591 HB2 GLN 66 2HB GLN 66 -18.372 -1.340 -5.305
592 HB3 GLN 66 1HB GLN 66 -17.194 -1.855 -4.105
593 HG2 GLN 66 2HG GLN 66 -15.471 -1.795 -5.931
594 HG3 GLN 66 1HG GLN 66 -16.684 -1.025 -6.948
595 HE21 GLN 66 1HE2 GLN 66 -17.826 0.455 -4.665
596 HE22 GLN 66 2HE2 GLN 66 -16.704 1.734 -4.345
597 H THR 67 H THR 67 -16.283 -3.627 -7.706
598 HA THR 67 HA THR 67 -18.246 -2.814 -9.584
599 HB THR 67 HB THR 67 -15.918 -2.544 -10.141
600 HG1 THR 67 HG1 THR 67 -16.617 -4.587 -11.940
601 HG21 THR 67 3HG2 THR 67 -14.975 -4.430 -8.906
602 HG22 THR 67 1HG2 THR 67 -14.429 -4.435 -10.582
603 HG23 THR 67 2HG2 THR 67 -15.688 -5.554 -10.062
604 H LYS 68 H LYS 68 -19.992 -3.899 -10.106
605 HA LYS 68 HA LYS 68 -20.220 -6.729 -9.546
606 HB2 LYS 68 2HB LYS 68 -22.207 -4.737 -10.651
607 HB3 LYS 68 1HB LYS 68 -22.582 -6.381 -10.167
608 HG2 LYS 68 2HG LYS 68 -21.468 -4.324 -8.283
609 HG3 LYS 68 1HG LYS 68 -23.194 -4.597 -8.521
610 HD2 LYS 68 2HD LYS 68 -22.882 -6.948 -7.843
611 HD3 LYS 68 1HD LYS 68 -21.176 -6.615 -7.541
612 HE2 LYS 68 2HE LYS 68 -21.724 -5.053 -5.808
613 HE3 LYS 68 1HE LYS 68 -23.441 -5.155 -6.192
614 HZ1 LYS 68 3HZ LYS 68 -21.775 -7.381 -5.136
615 HZ2 LYS 68 1HZ LYS 68 -23.438 -7.457 -5.475
616 HZ3 LYS 68 2HZ LYS 68 -22.868 -6.454 -4.233
617 H THR 69 H THR 69 -18.367 -6.288 -11.561
618 HA THR 69 HA THR 69 -19.667 -6.542 -14.132
619 HB THR 69 HB THR 69 -17.100 -6.902 -14.770
620 HG1 THR 69 HG1 THR 69 -16.345 -6.923 -12.608
621 HG21 THR 69 3HG2 THR 69 -18.522 -5.072 -15.537
622 HG22 THR 69 1HG2 THR 69 -16.935 -4.472 -15.052
623 HG23 THR 69 2HG2 THR 69 -18.324 -4.256 -13.988
624 H ALA 70 H ALA 70 -20.117 -8.690 -12.248
625 HA ALA 70 HA ALA 70 -18.717 -10.941 -13.461
626 HB1 ALA 70 3HB ALA 70 -19.891 -12.320 -11.830
627 HB2 ALA 70 1HB ALA 70 -20.821 -10.922 -11.296
628 HB3 ALA 70 2HB ALA 70 -19.077 -10.972 -11.033
629 H LEU 71 H LEU 71 -19.483 -10.914 -15.544
630 HA LEU 71 HA LEU 71 -22.371 -10.990 -15.964
631 HG LEU 71 HG LEU 71 -21.404 -8.615 -18.600
632 HB2 LEU 71 2HB LEU 71 -20.043 -10.569 -17.814
633 HB3 LEU 71 1HB LEU 71 -21.632 -10.956 -18.437
634 HD11 LEU 71 1HD1 LEU 71 -23.580 -9.301 -17.813
635 HD12 LEU 71 2HD1 LEU 71 -23.136 -7.754 -17.092
636 HD13 LEU 71 3HD1 LEU 71 -23.022 -9.233 -16.139
637 HD21 LEU 71 3HD2 LEU 71 -20.775 -7.163 -16.759
638 HD22 LEU 71 1HD2 LEU 71 -19.504 -8.341 -17.086
639 HD23 LEU 71 2HD2 LEU 71 -20.577 -8.562 -15.703
640 H GLU 72 H GLU 72 -23.233 -12.494 -17.569
641 HA GLU 72 HA GLU 72 -22.336 -15.187 -17.139
642 HB2 GLU 72 2HB GLU 72 -24.731 -14.606 -17.306
643 HB3 GLU 72 1HB GLU 72 -24.488 -14.089 -18.967
644 HG2 GLU 72 2HG GLU 72 -23.956 -16.339 -19.636
645 HG3 GLU 72 1HG GLU 72 -24.048 -16.889 -17.964
646 H HIS 73 H HIS 73 -21.450 -12.729 -19.211
647 HA HIS 73 HA HIS 73 -20.485 -14.605 -21.266
648 HD1 HIS 73 HD1 HIS 73 -22.023 -13.462 -24.440
649 HD2 HIS 73 HD2 HIS 73 -23.763 -12.725 -20.733
650 HE1 HIS 73 HE1 HIS 73 -24.483 -13.886 -24.742
651 HE2 HIS 73 HE2 HIS 73 -25.526 -13.362 -22.508
652 HB2 HIS 73 2HB HIS 73 -21.065 -11.641 -21.523
653 HB3 HIS 73 1HB HIS 73 -20.369 -12.639 -22.792
654 H HIS 74 H HIS 74 -18.861 -14.838 -19.363
655 HA HIS 74 HA HIS 74 -16.698 -14.689 -18.715
656 HD1 HIS 74 HD1 HIS 74 -17.173 -15.019 -22.929
657 HD2 HIS 74 HD2 HIS 74 -14.633 -16.401 -19.932
658 HE1 HIS 74 HE1 HIS 74 -16.646 -17.404 -23.527
659 HE2 HIS 74 HE2 HIS 74 -15.249 -18.266 -21.614
660 HB2 HIS 74 2HB HIS 74 -16.483 -13.218 -21.339
661 HB3 HIS 74 1HB HIS 74 -15.086 -13.549 -20.320
Start of MODEL 7
1 HA MET 1 HA MET 1 2.369 9.179 5.476
2 H1 MET 1 1H MET 1 1.388 11.331 5.967
3 H2 MET 1 2H MET 1 1.388 10.973 7.626
4 H3 MET 1 3H MET 1 0.423 10.070 6.566
5 HB2 MET 1 2HB MET 1 3.851 10.819 7.546
6 HB3 MET 1 1HB MET 1 4.596 9.582 6.545
7 HG2 MET 1 2HG MET 1 3.995 10.870 4.541
8 HG3 MET 1 1HG MET 1 3.306 12.120 5.576
9 HE1 MET 1 3HE MET 1 7.790 11.019 5.537
10 HE2 MET 1 1HE MET 1 6.578 10.220 4.537
11 HE3 MET 1 2HE MET 1 6.558 10.003 6.287
12 H ARG 2 H ARG 2 3.349 7.227 6.262
13 HA ARG 2 HA ARG 2 3.109 6.558 9.060
14 HE ARG 2 HE ARG 2 2.712 3.803 11.266
15 HB2 ARG 2 2HB ARG 2 0.788 6.224 8.077
16 HB3 ARG 2 1HB ARG 2 1.478 4.937 7.101
17 HG2 ARG 2 2HG ARG 2 0.414 3.985 9.027
18 HG3 ARG 2 1HG ARG 2 2.160 3.778 9.175
19 HD2 ARG 2 2HD ARG 2 1.482 6.262 10.360
20 HD3 ARG 2 1HD ARG 2 0.353 5.056 10.969
21 HH11 ARG 2 1HH1 ARG 2 1.578 6.981 12.234
22 HH12 ARG 2 2HH1 ARG 2 2.703 7.102 13.561
23 HH21 ARG 2 1HH2 ARG 2 4.176 3.978 13.004
24 HH22 ARG 2 2HH2 ARG 2 4.163 5.410 13.992
25 H VAL 3 H VAL 3 4.401 4.837 9.620
26 HA VAL 3 HA VAL 3 5.954 3.609 7.438
27 HB VAL 3 HB VAL 3 6.715 3.870 10.359
28 HG11 VAL 3 1HG1 VAL 3 7.711 1.923 9.261
29 HG12 VAL 3 2HG1 VAL 3 8.929 3.141 9.643
30 HG13 VAL 3 3HG1 VAL 3 8.346 2.965 7.988
31 HG21 VAL 3 3HG2 VAL 3 8.358 5.535 9.572
32 HG22 VAL 3 1HG2 VAL 3 6.693 6.051 9.305
33 HG23 VAL 3 2HG2 VAL 3 7.653 5.439 7.958
34 H PHE 4 H PHE 4 5.908 1.442 7.185
35 HA PHE 4 HA PHE 4 4.368 -0.113 9.157
36 HD1 PHE 4 HD1 PHE 4 3.193 1.906 6.715
37 HD2 PHE 4 HD2 PHE 4 1.837 -2.036 7.560
38 HE1 PHE 4 HE1 PHE 4 0.874 2.719 6.774
39 HE2 PHE 4 HE2 PHE 4 -0.485 -1.229 7.616
40 HZ PHE 4 HZ PHE 4 -0.968 1.150 7.224
41 HB2 PHE 4 2HB PHE 4 4.529 -0.304 6.162
42 HB3 PHE 4 1HB PHE 4 4.062 -1.702 7.123
43 HA PRO 5 HA PRO 5 8.401 -2.026 9.704
44 HB2 PRO 5 2HB PRO 5 7.063 -3.399 11.920
45 HB3 PRO 5 1HB PRO 5 8.432 -2.287 11.960
46 HG2 PRO 5 2HG PRO 5 6.004 -1.604 12.907
47 HG3 PRO 5 1HG PRO 5 7.088 -0.427 12.143
48 HD2 PRO 5 2HD PRO 5 4.711 -1.841 10.988
49 HD3 PRO 5 1HD PRO 5 5.200 -0.139 10.823
50 H VAL 6 H VAL 6 5.323 -3.429 9.116
51 HA VAL 6 HA VAL 6 6.622 -5.952 8.358
52 HB VAL 6 HB VAL 6 4.608 -7.204 9.068
53 HG11 VAL 6 1HG1 VAL 6 6.535 -7.147 10.535
54 HG12 VAL 6 2HG1 VAL 6 5.050 -7.126 11.489
55 HG13 VAL 6 3HG1 VAL 6 5.971 -5.640 11.256
56 HG21 VAL 6 3HG2 VAL 6 2.970 -5.416 9.007
57 HG22 VAL 6 1HG2 VAL 6 3.792 -4.591 10.331
58 HG23 VAL 6 2HG2 VAL 6 3.013 -6.147 10.611
59 H TYR 7 H TYR 7 5.921 -6.888 6.486
60 HA TYR 7 HA TYR 7 4.089 -5.315 4.847
61 HD1 TYR 7 HD1 TYR 7 4.779 -4.824 2.092
62 HD2 TYR 7 HD2 TYR 7 4.418 -9.016 2.743
63 HE1 TYR 7 HE1 TYR 7 3.660 -5.065 -0.088
64 HE2 TYR 7 HE2 TYR 7 3.294 -9.262 0.572
65 HH TYR 7 HH TYR 7 2.000 -7.894 -0.995
66 HB2 TYR 7 2HB TYR 7 6.171 -6.030 3.801
67 HB3 TYR 7 1HB TYR 7 5.816 -7.711 4.174
68 H ALA 8 H ALA 8 2.075 -5.730 5.631
69 HA ALA 8 HA ALA 8 1.162 -8.519 5.400
70 HB1 ALA 8 3HB ALA 8 -0.506 -8.047 7.123
71 HB2 ALA 8 1HB ALA 8 0.115 -6.405 7.282
72 HB3 ALA 8 2HB ALA 8 1.129 -7.777 7.729
73 HA PRO 9 HA PRO 9 -0.647 -6.768 1.683
74 HB2 PRO 9 2HB PRO 9 -2.301 -9.211 2.226
75 HB3 PRO 9 1HB PRO 9 -1.649 -8.616 0.694
76 HG2 PRO 9 2HG PRO 9 -0.441 -10.585 2.028
77 HG3 PRO 9 1HG PRO 9 0.493 -9.351 1.165
78 HD2 PRO 9 2HD PRO 9 0.141 -9.758 4.065
79 HD3 PRO 9 1HD PRO 9 1.439 -8.926 3.190
80 H LYS 10 H LYS 10 -3.036 -8.303 3.886
81 HA LYS 10 HA LYS 10 -5.082 -6.517 3.027
82 HB2 LYS 10 2HB LYS 10 -5.642 -8.756 3.803
83 HB3 LYS 10 1HB LYS 10 -5.002 -8.387 5.399
84 HG2 LYS 10 2HG LYS 10 -6.733 -6.634 5.644
85 HG3 LYS 10 1HG LYS 10 -7.409 -7.133 4.093
86 HD2 LYS 10 2HD LYS 10 -7.069 -8.988 6.443
87 HD3 LYS 10 1HD LYS 10 -8.554 -8.094 6.113
88 HE2 LYS 10 2HE LYS 10 -8.768 -9.208 3.965
89 HE3 LYS 10 1HE LYS 10 -7.242 -10.053 4.231
90 HZ1 LYS 10 3HZ LYS 10 -8.194 -11.213 6.080
91 HZ2 LYS 10 1HZ LYS 10 -9.212 -11.420 4.737
92 HZ3 LYS 10 2HZ LYS 10 -9.640 -10.330 5.963
93 H LEU 11 H LEU 11 -2.960 -6.643 5.837
94 HA LEU 11 HA LEU 11 -4.367 -4.714 7.350
95 HG LEU 11 HG LEU 11 -2.896 -7.460 8.006
96 HB2 LEU 11 2HB LEU 11 -1.474 -5.547 7.525
97 HB3 LEU 11 1HB LEU 11 -2.317 -4.581 8.720
98 HD11 LEU 11 1HD1 LEU 11 -2.211 -7.901 10.306
99 HD12 LEU 11 2HD1 LEU 11 -1.841 -6.191 10.528
100 HD13 LEU 11 3HD1 LEU 11 -0.908 -7.153 9.382
101 HD21 LEU 11 3HD2 LEU 11 -4.558 -7.389 9.796
102 HD22 LEU 11 1HD2 LEU 11 -4.970 -6.276 8.491
103 HD23 LEU 11 2HD2 LEU 11 -4.277 -5.659 9.990
104 H ILE 12 H ILE 12 -1.763 -4.464 4.986
105 HA ILE 12 HA ILE 12 -1.177 -1.732 5.376
106 HB ILE 12 HB ILE 12 -0.989 -3.394 2.857
107 HG12 ILE 12 2HG1 ILE 12 1.131 -2.583 4.862
108 HG13 ILE 12 1HG1 ILE 12 0.406 -4.182 4.740
109 HG21 ILE 12 1HG2 ILE 12 -1.101 -1.017 2.321
110 HG22 ILE 12 2HG2 ILE 12 0.509 -1.664 2.004
111 HG23 ILE 12 3HG2 ILE 12 0.219 -0.693 3.448
112 HD11 ILE 12 3HD1 ILE 12 2.042 -2.838 2.604
113 HD12 ILE 12 1HD1 ILE 12 1.347 -4.457 2.521
114 HD13 ILE 12 2HD1 ILE 12 2.606 -4.096 3.703
115 H VAL 13 H VAL 13 -3.346 -3.329 3.042
116 HA VAL 13 HA VAL 13 -4.487 -1.039 1.918
117 HB VAL 13 HB VAL 13 -5.733 -3.758 2.376
118 HG11 VAL 13 1HG1 VAL 13 -6.573 -1.616 0.426
119 HG12 VAL 13 2HG1 VAL 13 -7.430 -2.046 1.906
120 HG13 VAL 13 3HG1 VAL 13 -7.286 -3.222 0.599
121 HG21 VAL 13 3HG2 VAL 13 -4.265 -2.629 -0.002
122 HG22 VAL 13 1HG2 VAL 13 -5.069 -4.199 0.056
123 HG23 VAL 13 2HG2 VAL 13 -3.681 -3.879 1.097
124 H LYS 14 H LYS 14 -5.475 -2.967 4.691
125 HA LYS 14 HA LYS 14 -7.900 -1.664 5.235
126 HB2 LYS 14 2HB LYS 14 -7.147 -3.933 6.009
127 HB3 LYS 14 1HB LYS 14 -6.113 -3.125 7.177
128 HG2 LYS 14 2HG LYS 14 -7.995 -2.232 8.332
129 HG3 LYS 14 1HG LYS 14 -9.098 -2.795 7.073
130 HD2 LYS 14 2HD LYS 14 -8.596 -5.099 7.608
131 HD3 LYS 14 1HD LYS 14 -7.374 -4.593 8.776
132 HE2 LYS 14 2HE LYS 14 -10.319 -3.983 8.960
133 HE3 LYS 14 1HE LYS 14 -9.489 -5.266 9.840
134 HZ1 LYS 14 3HZ LYS 14 -9.765 -3.301 11.211
135 HZ2 LYS 14 1HZ LYS 14 -8.920 -2.358 10.081
136 HZ3 LYS 14 2HZ LYS 14 -8.120 -3.593 10.922
137 H HIS 15 H HIS 15 -4.600 -0.893 6.119
138 HA HIS 15 HA HIS 15 -5.503 1.144 8.001
139 HD1 HIS 15 HD1 HIS 15 -2.748 1.246 10.635
140 HD2 HIS 15 HD2 HIS 15 -4.643 -2.021 8.873
141 HE1 HIS 15 HE1 HIS 15 -3.291 -0.329 12.517
142 HE2 HIS 15 HE2 HIS 15 -4.308 -2.350 11.419
143 HB2 HIS 15 2HB HIS 15 -2.838 -0.051 7.347
144 HB3 HIS 15 1HB HIS 15 -2.929 1.498 8.173
145 H ALA 16 H ALA 16 -4.151 0.852 4.784
146 HA ALA 16 HA ALA 16 -3.377 3.539 4.429
147 HB1 ALA 16 3HB ALA 16 -2.706 1.714 2.911
148 HB2 ALA 16 1HB ALA 16 -3.404 3.088 2.052
149 HB3 ALA 16 2HB ALA 16 -4.362 1.629 2.312
150 H ARG 17 H ARG 17 -6.450 1.990 4.463
151 HA ARG 17 HA ARG 17 -8.094 3.772 3.134
152 HE ARG 17 HE ARG 17 -13.148 2.678 4.921
153 HB2 ARG 17 2HB ARG 17 -8.887 1.683 4.117
154 HB3 ARG 17 1HB ARG 17 -8.594 2.304 5.732
155 HG2 ARG 17 2HG ARG 17 -10.293 4.101 5.221
156 HG3 ARG 17 1HG ARG 17 -10.692 3.179 3.768
157 HD2 ARG 17 2HD ARG 17 -11.250 1.244 5.122
158 HD3 ARG 17 1HD ARG 17 -10.782 2.111 6.585
159 HH11 ARG 17 1HH1 ARG 17 -11.333 3.124 7.880
160 HH12 ARG 17 2HH1 ARG 17 -12.666 3.801 8.752
161 HH21 ARG 17 1HH2 ARG 17 -14.919 3.585 6.075
162 HH22 ARG 17 2HH2 ARG 17 -14.699 4.049 7.743
163 H ILE 18 H ILE 18 -6.420 4.154 6.158
164 HA ILE 18 HA ILE 18 -7.979 6.516 6.893
165 HB ILE 18 HB ILE 18 -5.705 5.222 8.405
166 HG12 ILE 18 2HG1 ILE 18 -8.680 4.767 8.762
167 HG13 ILE 18 1HG1 ILE 18 -7.582 3.634 7.981
168 HG21 ILE 18 1HG2 ILE 18 -6.730 6.353 10.343
169 HG22 ILE 18 2HG2 ILE 18 -7.889 7.115 9.255
170 HG23 ILE 18 3HG2 ILE 18 -6.171 7.486 9.111
171 HD11 ILE 18 3HD1 ILE 18 -8.057 2.996 10.283
172 HD12 ILE 18 1HD1 ILE 18 -7.417 4.540 10.845
173 HD13 ILE 18 2HD1 ILE 18 -6.349 3.376 10.059
174 H PHE 19 H PHE 19 -4.692 5.578 6.038
175 HA PHE 19 HA PHE 19 -3.747 8.322 6.384
176 HD1 PHE 19 HD1 PHE 19 -2.049 8.438 8.488
177 HD2 PHE 19 HD2 PHE 19 -2.836 4.343 7.650
178 HE1 PHE 19 HE1 PHE 19 -2.199 7.978 10.899
179 HE2 PHE 19 HE2 PHE 19 -2.988 3.875 10.060
180 HZ PHE 19 HZ PHE 19 -2.672 5.693 11.686
181 HB2 PHE 19 2HB PHE 19 -2.189 5.768 5.924
182 HB3 PHE 19 1HB PHE 19 -1.497 7.350 6.269
183 H LEU 20 H LEU 20 -5.257 6.956 4.057
184 HA LEU 20 HA LEU 20 -4.005 6.340 1.836
185 HG LEU 20 HG LEU 20 -6.694 8.219 3.381
186 HB2 LEU 20 2HB LEU 20 -5.901 7.466 0.579
187 HB3 LEU 20 1HB LEU 20 -6.293 6.253 1.779
188 HD11 LEU 20 1HD1 LEU 20 -5.645 9.974 2.070
189 HD12 LEU 20 2HD1 LEU 20 -7.360 10.319 2.308
190 HD13 LEU 20 3HD1 LEU 20 -6.789 9.699 0.757
191 HD21 LEU 20 3HD2 LEU 20 -8.972 8.509 2.553
192 HD22 LEU 20 1HD2 LEU 20 -8.462 6.824 2.478
193 HD23 LEU 20 2HD2 LEU 20 -8.500 7.798 1.010
194 H THR 21 H THR 21 -3.708 9.624 2.995
195 HA THR 21 HA THR 21 -2.410 10.251 0.427
196 HB THR 21 HB THR 21 -4.263 11.739 0.647
197 HG1 THR 21 HG1 THR 21 -2.364 12.768 -0.070
198 HG21 THR 21 3HG2 THR 21 -4.583 13.211 2.578
199 HG22 THR 21 1HG2 THR 21 -3.227 12.433 3.397
200 HG23 THR 21 2HG2 THR 21 -4.688 11.511 3.034
201 H GLY 22 H GLY 22 -0.269 10.349 0.522
202 HA2 GLY 22 2HA GLY 22 1.368 11.972 1.759
203 HA3 GLY 22 1HA GLY 22 1.010 10.895 3.101
204 H VAL 23 H VAL 23 3.162 10.241 3.242
205 HA VAL 23 HA VAL 23 4.042 8.472 1.058
206 HB VAL 23 HB VAL 23 5.829 9.894 3.048
207 HG11 VAL 23 1HG1 VAL 23 7.651 9.174 1.579
208 HG12 VAL 23 2HG1 VAL 23 6.494 8.316 0.561
209 HG13 VAL 23 3HG1 VAL 23 6.758 7.797 2.227
210 HG21 VAL 23 3HG2 VAL 23 6.520 11.308 1.157
211 HG22 VAL 23 1HG2 VAL 23 4.819 11.521 1.566
212 HG23 VAL 23 2HG2 VAL 23 5.271 10.560 0.159
213 H ILE 24 H ILE 24 4.274 6.384 1.568
214 HA ILE 24 HA ILE 24 4.173 5.640 4.418
215 HB ILE 24 HB ILE 24 2.237 4.805 3.203
216 HG12 ILE 24 2HG1 ILE 24 4.220 2.599 3.799
217 HG13 ILE 24 1HG1 ILE 24 3.128 3.356 4.953
218 HG21 ILE 24 1HG2 ILE 24 3.168 4.808 0.957
219 HG22 ILE 24 2HG2 ILE 24 2.440 3.247 1.341
220 HG23 ILE 24 3HG2 ILE 24 4.195 3.436 1.372
221 HD11 ILE 24 3HD1 ILE 24 2.305 1.184 4.254
222 HD12 ILE 24 1HD1 ILE 24 2.314 1.708 2.570
223 HD13 ILE 24 2HD1 ILE 24 1.215 2.466 3.723
224 H TRP 25 H TRP 25 5.775 4.392 5.254
225 HA TRP 25 HA TRP 25 7.906 3.568 3.393
226 HD1 TRP 25 HD1 TRP 25 7.212 6.557 4.123
227 HE1 TRP 25 HE1 TRP 25 8.802 8.430 3.328
228 HE3 TRP 25 HE3 TRP 25 11.661 4.410 5.388
229 HZ2 TRP 25 HZ2 TRP 25 11.587 8.914 3.255
230 HZ3 TRP 25 HZ3 TRP 25 13.748 5.636 4.930
231 HH2 TRP 25 HH2 TRP 25 13.709 7.840 3.880
232 HB2 TRP 25 2HB TRP 25 8.062 4.534 6.243
233 HB3 TRP 25 1HB TRP 25 9.382 3.654 5.481
234 H VAL 26 H VAL 26 7.802 1.509 3.038
235 HA VAL 26 HA VAL 26 7.181 -0.303 5.289
236 HB VAL 26 HB VAL 26 7.170 -1.140 2.406
237 HG11 VAL 26 1HG1 VAL 26 5.665 -2.895 3.214
238 HG12 VAL 26 2HG1 VAL 26 5.788 -2.237 4.845
239 HG13 VAL 26 3HG1 VAL 26 7.213 -2.914 4.059
240 HG21 VAL 26 3HG2 VAL 26 4.839 0.006 3.938
241 HG22 VAL 26 1HG2 VAL 26 4.729 -0.798 2.372
242 HG23 VAL 26 2HG2 VAL 26 5.618 0.718 2.524
243 H LYS 27 H LYS 27 8.530 -2.092 5.633
244 HA LYS 27 HA LYS 27 11.286 -1.617 5.080
245 HB2 LYS 27 2HB LYS 27 9.834 -3.902 6.404
246 HB3 LYS 27 1HB LYS 27 11.578 -3.856 6.230
247 HG2 LYS 27 2HG LYS 27 11.668 -1.812 7.564
248 HG3 LYS 27 1HG LYS 27 9.911 -1.841 7.721
249 HD2 LYS 27 2HD LYS 27 10.015 -3.945 8.906
250 HD3 LYS 27 1HD LYS 27 11.761 -4.023 8.674
251 HE2 LYS 27 2HE LYS 27 10.364 -1.814 10.175
252 HE3 LYS 27 1HE LYS 27 11.023 -3.256 10.945
253 HZ1 LYS 27 3HZ LYS 27 13.206 -2.654 10.032
254 HZ2 LYS 27 1HZ LYS 27 12.598 -1.477 11.090
255 HZ3 LYS 27 2HZ LYS 27 12.548 -1.217 9.416
256 H ASP 28 H ASP 28 8.831 -3.726 3.758
257 HA ASP 28 HA ASP 28 10.747 -5.332 2.299
258 HB2 ASP 28 2HB ASP 28 7.743 -5.373 2.506
259 HB3 ASP 28 1HB ASP 28 8.608 -6.387 1.357
260 H LEU 29 H LEU 29 9.396 -2.350 1.748
261 HA LEU 29 HA LEU 29 9.585 -2.728 -1.163
262 HG LEU 29 HG LEU 29 6.933 -3.306 0.558
263 HB2 LEU 29 2HB LEU 29 7.567 -0.933 0.179
264 HB3 LEU 29 1HB LEU 29 7.706 -1.267 -1.533
265 HD11 LEU 29 1HD1 LEU 29 5.211 -1.608 0.288
266 HD12 LEU 29 2HD1 LEU 29 4.697 -3.147 -0.402
267 HD13 LEU 29 3HD1 LEU 29 5.239 -1.844 -1.459
268 HD21 LEU 29 3HD2 LEU 29 6.946 -3.458 -2.455
269 HD22 LEU 29 1HD2 LEU 29 6.320 -4.694 -1.364
270 HD23 LEU 29 2HD2 LEU 29 8.042 -4.308 -1.365
271 H GLY 30 H GLY 30 9.444 -0.284 1.403
272 HA2 GLY 30 2HA GLY 30 11.427 1.235 1.517
273 HA3 GLY 30 1HA GLY 30 11.225 1.414 -0.224
274 H ARG 31 H ARG 31 10.899 3.685 -0.019
275 HA ARG 31 HA ARG 31 8.527 4.536 1.431
276 HE ARG 31 HE ARG 31 12.086 8.250 -2.375
277 HB2 ARG 31 2HB ARG 31 9.156 6.783 0.896
278 HB3 ARG 31 1HB ARG 31 10.610 5.932 1.394
279 HG2 ARG 31 2HG ARG 31 11.342 5.743 -0.882
280 HG3 ARG 31 1HG ARG 31 9.821 6.417 -1.469
281 HD2 ARG 31 2HD ARG 31 10.456 8.434 0.055
282 HD3 ARG 31 1HD ARG 31 12.087 7.773 -0.075
283 HH11 ARG 31 1HH1 ARG 31 9.141 9.232 -0.778
284 HH12 ARG 31 2HH1 ARG 31 8.571 10.199 -2.095
285 HH21 ARG 31 1HH2 ARG 31 11.370 9.539 -4.134
286 HH22 ARG 31 2HH2 ARG 31 9.875 10.417 -3.999
287 H LEU 32 H LEU 32 6.587 4.985 0.511
288 HA LEU 32 HA LEU 32 6.402 4.864 -2.429
289 HG LEU 32 HG LEU 32 6.509 2.245 -0.788
290 HB2 LEU 32 2HB LEU 32 4.461 3.653 -0.460
291 HB3 LEU 32 1HB LEU 32 4.260 3.679 -2.197
292 HD11 LEU 32 1HD1 LEU 32 3.918 1.174 -1.897
293 HD12 LEU 32 2HD1 LEU 32 4.358 1.268 -0.192
294 HD13 LEU 32 3HD1 LEU 32 5.253 0.202 -1.277
295 HD21 LEU 32 3HD2 LEU 32 7.016 2.872 -3.088
296 HD22 LEU 32 1HD2 LEU 32 5.503 2.146 -3.630
297 HD23 LEU 32 2HD2 LEU 32 6.776 1.129 -2.954
298 H GLU 33 H GLU 33 4.832 6.141 -3.387
299 HA GLU 33 HA GLU 33 3.799 8.330 -1.716
300 HB2 GLU 33 2HB GLU 33 3.967 8.205 -4.733
301 HB3 GLU 33 1HB GLU 33 3.699 9.626 -3.737
302 HG2 GLU 33 2HG GLU 33 6.231 8.102 -3.401
303 HG3 GLU 33 1HG GLU 33 6.037 9.130 -4.818
304 H PHE 34 H PHE 34 1.733 7.855 -1.066
305 HA PHE 34 HA PHE 34 0.002 6.643 -3.104
306 HD1 PHE 34 HD2 PHE 34 1.831 6.785 0.316
307 HD2 PHE 34 HD1 PHE 34 -2.127 5.263 0.667
308 HE1 PHE 34 HE2 PHE 34 1.907 7.148 2.742
309 HE2 PHE 34 HE1 PHE 34 -2.048 5.622 3.097
310 HZ PHE 34 HZ PHE 34 -0.028 6.564 4.136
311 HB2 PHE 34 2HB PHE 34 -1.200 5.396 -1.394
312 HB3 PHE 34 1HB PHE 34 0.499 4.966 -1.394
313 H GLU 35 H GLU 35 -2.077 7.312 -3.283
314 HA GLU 35 HA GLU 35 -2.862 9.680 -1.741
315 HB2 GLU 35 2HB GLU 35 -1.539 10.339 -3.797
316 HB3 GLU 35 1HB GLU 35 -2.831 9.642 -4.762
317 HG2 GLU 35 2HG GLU 35 -4.405 11.243 -3.877
318 HG3 GLU 35 1HG GLU 35 -3.164 11.903 -2.808
319 H LYS 36 H LYS 36 -4.839 9.295 -1.046
320 HA LYS 36 HA LYS 36 -7.007 8.674 -0.894
321 HB2 LYS 36 2HB LYS 36 -6.756 8.942 -3.873
322 HB3 LYS 36 1HB LYS 36 -8.254 8.382 -3.142
323 HG2 LYS 36 2HG LYS 36 -8.341 10.462 -1.815
324 HG3 LYS 36 1HG LYS 36 -6.894 11.025 -2.655
325 HD2 LYS 36 2HD LYS 36 -8.032 11.023 -4.760
326 HD3 LYS 36 1HD LYS 36 -9.438 10.223 -4.056
327 HE2 LYS 36 2HE LYS 36 -8.457 12.978 -3.326
328 HE3 LYS 36 1HE LYS 36 -9.794 12.633 -4.421
329 HZ1 LYS 36 3HZ LYS 36 -10.845 11.420 -2.522
330 HZ2 LYS 36 1HZ LYS 36 -10.723 13.099 -2.314
331 HZ3 LYS 36 2HZ LYS 36 -9.642 12.068 -1.516
332 H GLY 37 H GLY 37 -4.882 6.635 -0.978
333 HA2 GLY 37 2HA GLY 37 -5.239 4.351 -0.421
334 HA3 GLY 37 1HA GLY 37 -6.688 4.364 -1.415
335 H ARG 38 H ARG 38 -4.947 5.844 -3.487
336 HA ARG 38 HA ARG 38 -3.994 3.422 -4.802
337 HE ARG 38 HE ARG 38 -6.303 7.681 -6.870
338 HB2 ARG 38 2HB ARG 38 -4.034 6.308 -5.727
339 HB3 ARG 38 1HB ARG 38 -3.509 4.948 -6.705
340 HG2 ARG 38 2HG ARG 38 -5.769 3.991 -6.549
341 HG3 ARG 38 1HG ARG 38 -6.283 5.410 -5.632
342 HD2 ARG 38 2HD ARG 38 -5.151 5.450 -8.428
343 HD3 ARG 38 1HD ARG 38 -6.863 5.572 -8.023
344 HH11 ARG 38 1HH1 ARG 38 -4.077 6.433 -9.282
345 HH12 ARG 38 2HH1 ARG 38 -3.421 7.997 -9.668
346 HH21 ARG 38 1HH2 ARG 38 -5.461 9.719 -7.372
347 HH22 ARG 38 2HH2 ARG 38 -4.190 9.875 -8.549
348 H PHE 39 H PHE 39 -2.051 2.828 -5.008
349 HA PHE 39 HA PHE 39 0.013 4.202 -3.496
350 HD1 PHE 39 HD1 PHE 39 1.807 2.432 -1.863
351 HD2 PHE 39 HD2 PHE 39 -2.091 1.040 -2.857
352 HE1 PHE 39 HE1 PHE 39 1.409 1.867 0.498
353 HE2 PHE 39 HE2 PHE 39 -2.495 0.476 -0.498
354 HZ PHE 39 HZ PHE 39 -0.745 0.888 1.181
355 HB2 PHE 39 2HB PHE 39 -0.512 1.472 -4.553
356 HB3 PHE 39 1HB PHE 39 1.164 1.917 -4.195
357 H LEU 40 H LEU 40 -1.058 3.663 -6.665
358 HA LEU 40 HA LEU 40 -0.277 4.073 -8.760
359 HG LEU 40 HG LEU 40 -1.380 6.269 -8.227
360 HB2 LEU 40 2HB LEU 40 1.445 6.087 -7.316
361 HB3 LEU 40 1HB LEU 40 1.152 6.059 -9.041
362 HD11 LEU 40 1HD1 LEU 40 0.186 7.638 -6.042
363 HD12 LEU 40 2HD1 LEU 40 -0.813 6.197 -5.845
364 HD13 LEU 40 3HD1 LEU 40 -1.559 7.731 -6.294
365 HD21 LEU 40 3HD2 LEU 40 -1.153 8.702 -8.514
366 HD22 LEU 40 1HD2 LEU 40 -0.280 7.793 -9.748
367 HD23 LEU 40 2HD2 LEU 40 0.599 8.534 -8.410
368 H LEU 41 H LEU 41 1.983 4.646 -9.965
369 HA LEU 41 HA LEU 41 4.094 2.944 -8.810
370 HG LEU 41 HG LEU 41 3.814 1.213 -12.081
371 HB2 LEU 41 2HB LEU 41 3.546 3.687 -11.693
372 HB3 LEU 41 1HB LEU 41 5.060 2.989 -11.162
373 HD11 LEU 41 1HD1 LEU 41 4.926 0.606 -10.029
374 HD12 LEU 41 2HD1 LEU 41 3.403 -0.273 -10.170
375 HD13 LEU 41 3HD1 LEU 41 3.526 1.112 -9.087
376 HD21 LEU 41 3HD2 LEU 41 1.485 2.084 -10.379
377 HD22 LEU 41 1HD2 LEU 41 1.529 0.660 -11.416
378 HD23 LEU 41 2HD2 LEU 41 1.625 2.271 -12.127
379 HA PRO 42 HA PRO 42 5.408 7.179 -7.927
380 HB2 PRO 42 2HB PRO 42 7.590 5.736 -6.538
381 HB3 PRO 42 1HB PRO 42 6.474 6.961 -5.921
382 HG2 PRO 42 2HG PRO 42 6.217 4.391 -5.232
383 HG3 PRO 42 1HG PRO 42 4.796 5.415 -5.512
384 HD2 PRO 42 2HD PRO 42 6.032 3.357 -7.305
385 HD3 PRO 42 1HD PRO 42 4.317 3.697 -6.995
386 H ARG 43 H ARG 43 6.007 7.504 -10.138
387 HA ARG 43 HA ARG 43 7.420 8.026 -11.815
388 HE ARG 43 HE ARG 43 6.583 9.477 -8.407
389 HB2 ARG 43 2HB ARG 43 9.031 8.449 -9.367
390 HB3 ARG 43 1HB ARG 43 9.922 8.378 -10.880
391 HG2 ARG 43 2HG ARG 43 9.342 10.666 -10.245
392 HG3 ARG 43 1HG ARG 43 8.617 10.196 -11.781
393 HD2 ARG 43 2HD ARG 43 7.041 11.456 -10.416
394 HD3 ARG 43 1HD ARG 43 6.482 9.804 -10.662
395 HH11 ARG 43 1HH1 ARG 43 8.430 12.349 -9.197
396 HH12 ARG 43 2HH1 ARG 43 8.748 12.747 -7.538
397 HH21 ARG 43 1HH2 ARG 43 6.971 10.019 -6.240
398 HH22 ARG 43 2HH2 ARG 43 7.940 11.409 -5.854
399 H LYS 44 H LYS 44 10.172 6.571 -10.252
400 HA LYS 44 HA LYS 44 9.935 4.277 -12.081
401 HB2 LYS 44 2HB LYS 44 11.835 5.778 -12.603
402 HB3 LYS 44 1HB LYS 44 12.467 5.512 -10.984
403 HG2 LYS 44 2HG LYS 44 12.853 3.194 -11.447
404 HG3 LYS 44 1HG LYS 44 12.042 3.328 -13.009
405 HD2 LYS 44 2HD LYS 44 13.771 4.948 -13.723
406 HD3 LYS 44 1HD LYS 44 14.604 4.695 -12.188
407 HE2 LYS 44 2HE LYS 44 15.028 2.404 -12.719
408 HE3 LYS 44 1HE LYS 44 13.994 2.490 -14.146
409 HZ1 LYS 44 3HZ LYS 44 15.538 4.030 -15.151
410 HZ2 LYS 44 1HZ LYS 44 16.355 2.610 -14.709
411 HZ3 LYS 44 2HZ LYS 44 16.519 4.012 -13.768
412 H SER 45 H SER 45 9.224 2.605 -10.955
413 HA SER 45 HA SER 45 9.980 2.377 -8.135
414 HG SER 45 HG SER 45 8.020 0.433 -10.358
415 HB2 SER 45 2HB SER 45 7.986 0.852 -8.026
416 HB3 SER 45 1HB SER 45 7.610 2.515 -8.475
417 H LEU 46 H LEU 46 10.564 0.377 -7.258
418 HA LEU 46 HA LEU 46 12.256 -1.264 -8.801
419 HG LEU 46 HG LEU 46 13.530 -1.759 -5.420
420 HB2 LEU 46 2HB LEU 46 11.185 -1.252 -6.040
421 HB3 LEU 46 1HB LEU 46 11.754 -2.796 -6.630
422 HD11 LEU 46 1HD1 LEU 46 15.273 -1.583 -7.131
423 HD12 LEU 46 2HD1 LEU 46 14.029 -1.499 -8.377
424 HD13 LEU 46 3HD1 LEU 46 14.209 -2.962 -7.409
425 HD21 LEU 46 3HD2 LEU 46 12.776 0.541 -5.467
426 HD22 LEU 46 1HD2 LEU 46 13.120 0.644 -7.195
427 HD23 LEU 46 2HD2 LEU 46 14.439 0.446 -6.043
428 HA PRO 47 HA PRO 47 9.346 -4.085 -10.685
429 HB2 PRO 47 2HB PRO 47 11.556 -6.051 -10.396
430 HB3 PRO 47 1HB PRO 47 10.668 -5.560 -11.844
431 HG2 PRO 47 2HG PRO 47 13.172 -4.737 -11.440
432 HG3 PRO 47 1HG PRO 47 11.962 -3.652 -12.149
433 HD2 PRO 47 2HD PRO 47 13.023 -3.744 -9.351
434 HD3 PRO 47 1HD PRO 47 12.648 -2.334 -10.363
435 H LYS 48 H LYS 48 11.353 -5.073 -7.960
436 HA LYS 48 HA LYS 48 9.890 -7.200 -6.934
437 HB2 LYS 48 2HB LYS 48 12.099 -6.388 -6.111
438 HB3 LYS 48 1HB LYS 48 11.292 -5.008 -5.383
439 HG2 LYS 48 2HG LYS 48 9.889 -6.869 -4.177
440 HG3 LYS 48 1HG LYS 48 11.298 -7.864 -4.552
441 HD2 LYS 48 2HD LYS 48 11.174 -5.356 -2.895
442 HD3 LYS 48 1HD LYS 48 11.679 -6.970 -2.396
443 HE2 LYS 48 2HE LYS 48 13.636 -6.802 -3.861
444 HE3 LYS 48 1HE LYS 48 13.127 -5.184 -4.349
445 HZ1 LYS 48 3HZ LYS 48 13.267 -4.578 -1.937
446 HZ2 LYS 48 1HZ LYS 48 14.752 -4.917 -2.681
447 HZ3 LYS 48 2HZ LYS 48 14.032 -6.069 -1.665
448 H VAL 49 H VAL 49 9.601 -3.739 -6.183
449 HA VAL 49 HA VAL 49 7.387 -4.174 -4.420
450 HB VAL 49 HB VAL 49 7.459 -1.859 -3.969
451 HG11 VAL 49 1HG1 VAL 49 9.807 -1.511 -3.436
452 HG12 VAL 49 2HG1 VAL 49 10.209 -2.883 -4.468
453 HG13 VAL 49 3HG1 VAL 49 9.233 -3.126 -3.021
454 HG21 VAL 49 3HG2 VAL 49 9.254 -1.489 -6.347
455 HG22 VAL 49 1HG2 VAL 49 8.744 -0.235 -5.216
456 HG23 VAL 49 2HG2 VAL 49 7.556 -1.011 -6.266
457 H LYS 50 H LYS 50 7.828 -3.318 -7.739
458 HA LYS 50 HA LYS 50 5.343 -2.094 -8.141
459 HB2 LYS 50 2HB LYS 50 7.148 -1.885 -9.765
460 HB3 LYS 50 1HB LYS 50 7.095 -3.615 -10.081
461 HG2 LYS 50 2HG LYS 50 4.858 -3.394 -11.013
462 HG3 LYS 50 1HG LYS 50 4.871 -1.664 -10.667
463 HD2 LYS 50 2HD LYS 50 6.744 -1.355 -12.192
464 HD3 LYS 50 1HD LYS 50 6.796 -3.091 -12.506
465 HE2 LYS 50 2HE LYS 50 4.556 -2.997 -13.465
466 HE3 LYS 50 1HE LYS 50 4.468 -1.270 -13.114
467 HZ1 LYS 50 3HZ LYS 50 6.471 -2.524 -14.909
468 HZ2 LYS 50 1HZ LYS 50 6.252 -0.863 -14.645
469 HZ3 LYS 50 2HZ LYS 50 5.052 -1.755 -15.439
470 H GLN 51 H GLN 51 6.455 -5.427 -8.417
471 HA GLN 51 HA GLN 51 4.057 -6.647 -9.201
472 HB2 GLN 51 2HB GLN 51 6.527 -7.553 -8.811
473 HB3 GLN 51 1HB GLN 51 5.877 -7.989 -7.240
474 HG2 GLN 51 2HG GLN 51 4.754 -8.881 -9.887
475 HG3 GLN 51 1HG GLN 51 5.824 -9.834 -8.863
476 HE21 GLN 51 1HE2 GLN 51 5.036 -10.631 -6.888
477 HE22 GLN 51 2HE2 GLN 51 3.335 -10.784 -6.596
478 H ALA 52 H ALA 52 5.372 -5.867 -6.012
479 HA ALA 52 HA ALA 52 3.294 -6.970 -4.475
480 HB1 ALA 52 3HB ALA 52 4.180 -5.681 -2.633
481 HB2 ALA 52 1HB ALA 52 5.090 -4.662 -3.749
482 HB3 ALA 52 2HB ALA 52 5.503 -6.367 -3.574
483 H ILE 53 H ILE 53 3.877 -3.558 -5.413
484 HA ILE 53 HA ILE 53 1.554 -2.437 -4.401
485 HB ILE 53 HB ILE 53 3.034 -1.711 -6.932
486 HG12 ILE 53 2HG1 ILE 53 3.083 -0.485 -4.163
487 HG13 ILE 53 1HG1 ILE 53 4.318 -1.559 -4.811
488 HG21 ILE 53 1HG2 ILE 53 0.939 -0.132 -5.438
489 HG22 ILE 53 2HG2 ILE 53 0.754 -0.853 -7.038
490 HG23 ILE 53 3HG2 ILE 53 1.905 0.462 -6.791
491 HD11 ILE 53 3HD1 ILE 53 4.837 0.078 -6.541
492 HD12 ILE 53 1HD1 ILE 53 5.010 0.766 -4.925
493 HD13 ILE 53 2HD1 ILE 53 3.591 1.152 -5.901
494 H LEU 54 H LEU 54 2.002 -3.891 -7.630
495 HA LEU 54 HA LEU 54 -0.628 -3.448 -8.528
496 HG LEU 54 HG LEU 54 -0.278 -3.501 -11.016
497 HB2 LEU 54 2HB LEU 54 1.648 -5.138 -9.362
498 HB3 LEU 54 1HB LEU 54 0.068 -5.652 -9.917
499 HD11 LEU 54 1HD1 LEU 54 2.497 -2.800 -10.067
500 HD12 LEU 54 2HD1 LEU 54 0.994 -2.083 -9.483
501 HD13 LEU 54 3HD1 LEU 54 1.493 -1.841 -11.156
502 HD21 LEU 54 3HD2 LEU 54 1.458 -3.712 -12.747
503 HD22 LEU 54 1HD2 LEU 54 0.766 -5.268 -12.289
504 HD23 LEU 54 2HD2 LEU 54 2.356 -4.799 -11.687
505 H GLU 55 H GLU 55 0.824 -6.149 -6.775
506 HA GLU 55 HA GLU 55 -1.485 -7.794 -6.803
507 HB2 GLU 55 2HB GLU 55 0.792 -8.623 -6.312
508 HB3 GLU 55 1HB GLU 55 0.781 -7.726 -4.801
509 HG2 GLU 55 2HG GLU 55 -0.926 -9.101 -3.897
510 HG3 GLU 55 1HG GLU 55 -1.227 -9.860 -5.460
511 H LEU 56 H LEU 56 -0.278 -5.335 -4.572
512 HA LEU 56 HA LEU 56 -2.251 -5.569 -2.594
513 HG LEU 56 HG LEU 56 0.689 -4.901 -2.445
514 HB2 LEU 56 2HB LEU 56 -0.701 -3.161 -3.551
515 HB3 LEU 56 1HB LEU 56 -1.747 -3.139 -2.144
516 HD11 LEU 56 1HD1 LEU 56 0.292 -2.353 -0.881
517 HD12 LEU 56 2HD1 LEU 56 1.317 -2.554 -2.303
518 HD13 LEU 56 3HD1 LEU 56 1.714 -3.393 -0.803
519 HD21 LEU 56 3HD2 LEU 56 -0.990 -5.871 -0.985
520 HD22 LEU 56 1HD2 LEU 56 -1.125 -4.353 -0.097
521 HD23 LEU 56 2HD2 LEU 56 0.374 -5.280 -0.035
522 H ASN 57 H ASN 57 -2.148 -3.500 -5.498
523 HA ASN 57 HA ASN 57 -4.655 -2.296 -5.148
524 HB2 ASN 57 2HB ASN 57 -3.066 -2.871 -7.651
525 HB3 ASN 57 1HB ASN 57 -4.585 -1.982 -7.673
526 HD21 ASN 57 1HD2 ASN 57 -4.015 -0.739 -5.066
527 HD22 ASN 57 2HD2 ASN 57 -2.847 0.489 -5.393
528 H GLU 58 H GLU 58 -3.746 -5.312 -6.723
529 HA GLU 58 HA GLU 58 -6.273 -5.988 -7.760
530 HB2 GLU 58 2HB GLU 58 -4.036 -7.060 -8.264
531 HB3 GLU 58 1HB GLU 58 -4.181 -7.906 -6.736
532 HG2 GLU 58 2HG GLU 58 -6.008 -9.168 -7.478
533 HG3 GLU 58 1HG GLU 58 -6.280 -8.109 -8.865
534 H LEU 59 H LEU 59 -4.670 -6.794 -4.730
535 HA LEU 59 HA LEU 59 -6.741 -8.237 -3.522
536 HG LEU 59 HG LEU 59 -6.396 -7.142 -0.635
537 HB2 LEU 59 2HB LEU 59 -4.445 -8.188 -2.683
538 HB3 LEU 59 1HB LEU 59 -4.619 -6.496 -2.261
539 HD11 LEU 59 1HD1 LEU 59 -5.477 -9.939 -1.278
540 HD12 LEU 59 2HD1 LEU 59 -7.067 -9.257 -1.620
541 HD13 LEU 59 3HD1 LEU 59 -6.547 -9.486 0.049
542 HD21 LEU 59 3HD2 LEU 59 -3.701 -8.427 -0.221
543 HD22 LEU 59 1HD2 LEU 59 -4.846 -7.976 1.041
544 HD23 LEU 59 2HD2 LEU 59 -4.086 -6.727 0.054
545 H ILE 60 H ILE 60 -6.048 -4.756 -3.516
546 HA ILE 60 HA ILE 60 -7.989 -3.898 -1.726
547 HB ILE 60 HB ILE 60 -7.020 -2.498 -4.229
548 HG12 ILE 60 2HG1 ILE 60 -6.219 -2.184 -1.327
549 HG13 ILE 60 1HG1 ILE 60 -5.271 -3.001 -2.564
550 HG21 ILE 60 1HG2 ILE 60 -9.159 -1.573 -3.536
551 HG22 ILE 60 2HG2 ILE 60 -7.861 -0.432 -3.191
552 HG23 ILE 60 3HG2 ILE 60 -8.566 -1.386 -1.886
553 HD11 ILE 60 3HD1 ILE 60 -5.989 -0.080 -2.530
554 HD12 ILE 60 1HD1 ILE 60 -5.055 -0.894 -3.784
555 HD13 ILE 60 2HD1 ILE 60 -4.416 -0.779 -2.145
556 H GLU 61 H GLU 61 -8.286 -4.230 -5.263
557 HA GLU 61 HA GLU 61 -11.057 -3.568 -5.176
558 HB2 GLU 61 2HB GLU 61 -9.278 -4.563 -7.385
559 HB3 GLU 61 1HB GLU 61 -10.997 -4.248 -7.615
560 HG2 GLU 61 2HG GLU 61 -10.623 -1.929 -6.833
561 HG3 GLU 61 1HG GLU 61 -8.897 -2.271 -6.763
562 H ALA 62 H ALA 62 -9.289 -6.519 -4.875
563 HA ALA 62 HA ALA 62 -11.412 -8.308 -5.442
564 HB1 ALA 62 3HB ALA 62 -9.133 -8.624 -3.485
565 HB2 ALA 62 1HB ALA 62 -9.099 -9.069 -5.191
566 HB3 ALA 62 2HB ALA 62 -10.170 -9.921 -4.078
567 H GLN 63 H GLN 63 -10.381 -6.616 -2.522
568 HA GLN 63 HA GLN 63 -12.454 -7.583 -0.833
569 HB2 GLN 63 2HB GLN 63 -10.752 -5.083 -0.664
570 HB3 GLN 63 1HB GLN 63 -11.820 -5.643 0.615
571 HG2 GLN 63 2HG GLN 63 -10.520 -7.642 0.890
572 HG3 GLN 63 1HG GLN 63 -9.512 -7.218 -0.488
573 HE21 GLN 63 1HE2 GLN 63 -7.971 -5.619 -0.271
574 HE22 GLN 63 2HE2 GLN 63 -7.473 -5.013 1.269
575 H ASN 64 H ASN 64 -12.094 -4.807 -2.955
576 HA ASN 64 HA ASN 64 -14.525 -3.524 -2.265
577 HB2 ASN 64 2HB ASN 64 -12.742 -3.361 -4.687
578 HB3 ASN 64 1HB ASN 64 -14.232 -2.431 -4.563
579 HD21 ASN 64 1HD2 ASN 64 -13.053 -0.505 -4.654
580 HD22 ASN 64 2HD2 ASN 64 -12.171 0.082 -3.277
581 H HIS 65 H HIS 65 -13.718 -6.060 -4.569
582 HA HIS 65 HA HIS 65 -16.139 -6.193 -5.957
583 HD1 HIS 65 HD1 HIS 65 -15.276 -6.002 -7.863
584 HD2 HIS 65 HD2 HIS 65 -12.513 -9.050 -7.237
585 HE1 HIS 65 HE1 HIS 65 -13.690 -5.895 -9.814
586 HE2 HIS 65 HE2 HIS 65 -12.180 -7.898 -9.530
587 HB2 HIS 65 2HB HIS 65 -14.205 -8.369 -5.155
588 HB3 HIS 65 1HB HIS 65 -15.650 -8.705 -6.096
589 H GLN 66 H GLN 66 -15.168 -8.285 -3.274
590 HA GLN 66 HA GLN 66 -17.163 -7.881 -1.463
591 HB2 GLN 66 2HB GLN 66 -18.544 -8.685 -3.580
592 HB3 GLN 66 1HB GLN 66 -18.048 -10.277 -3.025
593 HG2 GLN 66 2HG GLN 66 -20.232 -9.766 -2.170
594 HG3 GLN 66 1HG GLN 66 -19.078 -9.816 -0.841
595 HE21 GLN 66 1HE2 GLN 66 -19.175 -7.110 -3.018
596 HE22 GLN 66 2HE2 GLN 66 -19.864 -5.977 -1.903
597 H THR 67 H THR 67 -14.492 -9.329 -2.517
598 HA THR 67 HA THR 67 -13.120 -11.042 -1.926
599 HB THR 67 HB THR 67 -14.699 -11.313 0.638
600 HG1 THR 67 HG1 THR 67 -14.334 -9.114 0.483
601 HG21 THR 67 3HG2 THR 67 -12.868 -12.902 0.285
602 HG22 THR 67 1HG2 THR 67 -12.475 -11.776 1.584
603 HG23 THR 67 2HG2 THR 67 -11.754 -11.566 -0.013
604 H LYS 68 H LYS 68 -15.183 -11.690 -3.581
605 HA LYS 68 HA LYS 68 -16.791 -13.833 -2.544
606 HB2 LYS 68 2HB LYS 68 -17.642 -12.164 -4.166
607 HB3 LYS 68 1HB LYS 68 -16.520 -12.785 -5.366
608 HG2 LYS 68 2HG LYS 68 -17.660 -14.991 -5.199
609 HG3 LYS 68 1HG LYS 68 -18.850 -14.240 -4.134
610 HD2 LYS 68 2HD LYS 68 -18.251 -13.430 -6.983
611 HD3 LYS 68 1HD LYS 68 -19.666 -14.334 -6.435
612 HE2 LYS 68 2HE LYS 68 -20.389 -12.441 -5.099
613 HE3 LYS 68 1HE LYS 68 -18.939 -11.543 -5.550
614 HZ1 LYS 68 3HZ LYS 68 -21.058 -12.454 -7.421
615 HZ2 LYS 68 1HZ LYS 68 -19.666 -11.585 -7.852
616 HZ3 LYS 68 2HZ LYS 68 -20.848 -10.867 -6.869
617 H THR 69 H THR 69 -14.051 -13.512 -4.741
618 HA THR 69 HA THR 69 -14.176 -16.113 -5.796
619 HB THR 69 HB THR 69 -12.953 -14.406 -6.972
620 HG1 THR 69 HG1 THR 69 -11.606 -15.843 -7.715
621 HG21 THR 69 3HG2 THR 69 -12.108 -13.101 -5.103
622 HG22 THR 69 1HG2 THR 69 -10.787 -13.557 -6.176
623 HG23 THR 69 2HG2 THR 69 -11.023 -14.415 -4.655
624 H ALA 70 H ALA 70 -13.951 -17.937 -4.772
625 HA ALA 70 HA ALA 70 -12.033 -18.161 -2.555
626 HB1 ALA 70 3HB ALA 70 -14.292 -20.007 -3.337
627 HB2 ALA 70 1HB ALA 70 -14.342 -18.815 -2.036
628 HB3 ALA 70 2HB ALA 70 -13.241 -20.189 -1.931
629 H LEU 71 H LEU 71 -12.175 -18.555 -5.763
630 HA LEU 71 HA LEU 71 -10.937 -21.158 -6.008
631 HG LEU 71 HG LEU 71 -13.531 -19.676 -7.131
632 HB2 LEU 71 2HB LEU 71 -11.344 -19.043 -8.122
633 HB3 LEU 71 1HB LEU 71 -11.003 -20.743 -8.385
634 HD11 LEU 71 1HD1 LEU 71 -13.030 -20.681 -9.924
635 HD12 LEU 71 2HD1 LEU 71 -13.377 -19.016 -9.462
636 HD13 LEU 71 3HD1 LEU 71 -14.602 -20.265 -9.245
637 HD21 LEU 71 3HD2 LEU 71 -12.783 -22.445 -8.063
638 HD22 LEU 71 1HD2 LEU 71 -14.369 -21.950 -7.469
639 HD23 LEU 71 2HD2 LEU 71 -12.975 -21.925 -6.389
640 H GLU 72 H GLU 72 -10.028 -17.908 -7.143
641 HA GLU 72 HA GLU 72 -7.251 -18.570 -7.272
642 HB2 GLU 72 2HB GLU 72 -8.367 -15.773 -7.199
643 HB3 GLU 72 1HB GLU 72 -6.915 -16.344 -8.006
644 HG2 GLU 72 2HG GLU 72 -9.757 -16.925 -8.804
645 HG3 GLU 72 1HG GLU 72 -8.632 -15.843 -9.621
646 H HIS 73 H HIS 73 -9.312 -16.706 -5.100
647 HA HIS 73 HA HIS 73 -7.169 -16.571 -3.111
648 HD1 HIS 73 HD1 HIS 73 -10.502 -15.107 -0.680
649 HD2 HIS 73 HD2 HIS 73 -6.527 -14.148 -1.417
650 HE1 HIS 73 HE1 HIS 73 -9.609 -14.222 1.495
651 HE2 HIS 73 HE2 HIS 73 -7.229 -13.548 1.004
652 HB2 HIS 73 2HB HIS 73 -8.438 -14.495 -3.603
653 HB3 HIS 73 1HB HIS 73 -9.919 -15.292 -3.093
654 H HIS 74 H HIS 74 -7.185 -18.807 -2.660
655 HA HIS 74 HA HIS 74 -9.467 -20.335 -2.099
656 HD1 HIS 74 HD1 HIS 74 -7.852 -23.766 -0.842
657 HD2 HIS 74 HD2 HIS 74 -8.352 -21.739 -4.438
658 HE1 HIS 74 HE1 HIS 74 -8.609 -25.497 -2.497
659 HE2 HIS 74 HE2 HIS 74 -8.713 -24.287 -4.703
660 HB2 HIS 74 2HB HIS 74 -6.634 -20.715 -2.127
661 HB3 HIS 74 1HB HIS 74 -7.269 -21.388 -0.630
Start of MODEL 8
1 HA MET 1 HA MET 1 2.467 8.742 5.588
2 H1 MET 1 1H MET 1 1.228 10.463 7.657
3 H2 MET 1 2H MET 1 0.442 9.681 6.379
4 H3 MET 1 3H MET 1 1.532 10.935 6.055
5 HB2 MET 1 2HB MET 1 3.704 10.335 7.837
6 HB3 MET 1 1HB MET 1 4.535 9.024 7.014
7 HG2 MET 1 2HG MET 1 4.289 10.258 4.885
8 HG3 MET 1 1HG MET 1 3.567 11.594 5.782
9 HE1 MET 1 3HE MET 1 6.093 11.940 3.863
10 HE2 MET 1 1HE MET 1 7.098 13.000 4.850
11 HE3 MET 1 2HE MET 1 5.356 13.262 4.769
12 H ARG 2 H ARG 2 3.274 6.754 6.403
13 HA ARG 2 HA ARG 2 2.709 5.993 9.134
14 HE ARG 2 HE ARG 2 2.541 4.430 11.051
15 HB2 ARG 2 2HB ARG 2 0.532 5.675 7.894
16 HB3 ARG 2 1HB ARG 2 1.350 4.487 6.892
17 HG2 ARG 2 2HG ARG 2 0.188 3.264 8.518
18 HG3 ARG 2 1HG ARG 2 1.876 3.242 9.028
19 HD2 ARG 2 2HD ARG 2 -0.113 5.245 10.069
20 HD3 ARG 2 1HD ARG 2 0.131 3.675 10.826
21 HH11 ARG 2 1HH1 ARG 2 -0.135 6.672 11.020
22 HH12 ARG 2 2HH1 ARG 2 0.640 7.819 12.065
23 HH21 ARG 2 1HH2 ARG 2 3.577 5.938 12.403
24 HH22 ARG 2 2HH2 ARG 2 2.773 7.426 12.822
25 H VAL 3 H VAL 3 4.282 4.642 9.775
26 HA VAL 3 HA VAL 3 5.958 3.424 7.700
27 HB VAL 3 HB VAL 3 6.567 3.834 10.634
28 HG11 VAL 3 1HG1 VAL 3 8.337 2.972 8.348
29 HG12 VAL 3 2HG1 VAL 3 7.791 1.963 9.687
30 HG13 VAL 3 3HG1 VAL 3 8.881 3.315 9.991
31 HG21 VAL 3 3HG2 VAL 3 8.041 5.638 9.906
32 HG22 VAL 3 1HG2 VAL 3 6.368 5.964 9.456
33 HG23 VAL 3 2HG2 VAL 3 7.516 5.405 8.239
34 H PHE 4 H PHE 4 5.947 1.297 7.406
35 HA PHE 4 HA PHE 4 4.519 -0.367 9.364
36 HD1 PHE 4 HD2 PHE 4 3.275 1.493 7.000
37 HD2 PHE 4 HD1 PHE 4 2.361 -2.635 7.478
38 HE1 PHE 4 HE2 PHE 4 0.871 2.015 6.900
39 HE2 PHE 4 HE1 PHE 4 -0.041 -2.121 7.383
40 HZ PHE 4 HZ PHE 4 -0.788 0.204 7.093
41 HB2 PHE 4 2HB PHE 4 4.905 -0.571 6.395
42 HB3 PHE 4 1HB PHE 4 4.545 -2.014 7.336
43 HA PRO 5 HA PRO 5 8.629 -2.069 10.116
44 HB2 PRO 5 2HB PRO 5 8.012 -3.249 12.455
45 HB3 PRO 5 1HB PRO 5 8.281 -1.507 12.332
46 HG2 PRO 5 2HG PRO 5 5.706 -3.023 12.459
47 HG3 PRO 5 1HG PRO 5 6.157 -1.509 13.264
48 HD2 PRO 5 2HD PRO 5 4.650 -1.633 10.977
49 HD3 PRO 5 1HD PRO 5 5.650 -0.240 11.426
50 H VAL 6 H VAL 6 5.734 -3.397 9.260
51 HA VAL 6 HA VAL 6 6.942 -5.999 8.737
52 HB VAL 6 HB VAL 6 5.644 -6.257 10.843
53 HG11 VAL 6 1HG1 VAL 6 3.202 -6.087 10.812
54 HG12 VAL 6 2HG1 VAL 6 3.272 -5.453 9.168
55 HG13 VAL 6 3HG1 VAL 6 3.975 -4.532 10.496
56 HG21 VAL 6 3HG2 VAL 6 4.271 -8.173 10.136
57 HG22 VAL 6 1HG2 VAL 6 5.868 -8.173 9.384
58 HG23 VAL 6 2HG2 VAL 6 4.457 -7.666 8.458
59 H TYR 7 H TYR 7 5.915 -7.073 6.912
60 HA TYR 7 HA TYR 7 4.899 -5.197 4.998
61 HD1 TYR 7 HD2 TYR 7 5.594 -5.054 2.765
62 HD2 TYR 7 HD1 TYR 7 4.036 -9.016 2.876
63 HE1 TYR 7 HE2 TYR 7 4.825 -4.811 0.444
64 HE2 TYR 7 HE1 TYR 7 3.263 -8.778 0.556
65 HH TYR 7 HH TYR 7 2.705 -7.062 -1.035
66 HB2 TYR 7 2HB TYR 7 6.424 -7.093 4.416
67 HB3 TYR 7 1HB TYR 7 5.101 -8.205 4.744
68 H ALA 8 H ALA 8 3.495 -8.395 5.533
69 HA ALA 8 HA ALA 8 1.344 -9.123 5.534
70 HB1 ALA 8 3HB ALA 8 0.971 -6.781 7.390
71 HB2 ALA 8 1HB ALA 8 1.612 -8.360 7.846
72 HB3 ALA 8 2HB ALA 8 -0.053 -8.211 7.287
73 HA PRO 9 HA PRO 9 0.145 -6.545 1.932
74 HB2 PRO 9 2HB PRO 9 -1.612 -8.967 1.782
75 HB3 PRO 9 1HB PRO 9 -0.755 -8.123 0.490
76 HG2 PRO 9 2HG PRO 9 0.221 -10.380 1.470
77 HG3 PRO 9 1HG PRO 9 1.306 -9.028 1.085
78 HD2 PRO 9 2HD PRO 9 0.376 -10.020 3.735
79 HD3 PRO 9 1HD PRO 9 1.922 -9.273 3.283
80 H LYS 10 H LYS 10 -2.332 -8.422 3.684
81 HA LYS 10 HA LYS 10 -4.394 -6.578 3.001
82 HB2 LYS 10 2HB LYS 10 -4.430 -8.763 5.086
83 HB3 LYS 10 1HB LYS 10 -5.835 -7.947 4.411
84 HG2 LYS 10 2HG LYS 10 -5.244 -8.830 2.189
85 HG3 LYS 10 1HG LYS 10 -3.905 -9.714 2.924
86 HD2 LYS 10 2HD LYS 10 -5.528 -10.901 4.362
87 HD3 LYS 10 1HD LYS 10 -6.839 -10.061 3.530
88 HE2 LYS 10 2HE LYS 10 -6.058 -11.044 1.400
89 HE3 LYS 10 1HE LYS 10 -4.846 -11.957 2.299
90 HZ1 LYS 10 3HZ LYS 10 -6.725 -13.350 1.909
91 HZ2 LYS 10 1HZ LYS 10 -7.795 -12.197 2.533
92 HZ3 LYS 10 2HZ LYS 10 -6.695 -12.976 3.560
93 H LEU 11 H LEU 11 -2.175 -6.806 5.637
94 HA LEU 11 HA LEU 11 -3.676 -5.212 7.475
95 HG LEU 11 HG LEU 11 -2.484 -4.679 9.555
96 HB2 LEU 11 2HB LEU 11 -1.826 -6.790 8.090
97 HB3 LEU 11 1HB LEU 11 -0.688 -5.666 7.377
98 HD11 LEU 11 1HD1 LEU 11 -1.633 -6.829 10.380
99 HD12 LEU 11 2HD1 LEU 11 -0.914 -5.470 11.242
100 HD13 LEU 11 3HD1 LEU 11 0.013 -6.318 10.005
101 HD21 LEU 11 3HD2 LEU 11 0.393 -4.149 8.811
102 HD22 LEU 11 1HD2 LEU 11 -0.514 -3.334 10.083
103 HD23 LEU 11 2HD2 LEU 11 -0.987 -3.131 8.398
104 H ILE 12 H ILE 12 -1.209 -4.605 5.037
105 HA ILE 12 HA ILE 12 -0.878 -1.849 5.401
106 HB ILE 12 HB ILE 12 -0.797 -3.434 2.824
107 HG12 ILE 12 2HG1 ILE 12 1.435 -2.539 4.661
108 HG13 ILE 12 1HG1 ILE 12 0.808 -4.179 4.549
109 HG21 ILE 12 1HG2 ILE 12 -1.096 -1.083 2.343
110 HG22 ILE 12 2HG2 ILE 12 0.554 -1.567 1.951
111 HG23 ILE 12 3HG2 ILE 12 0.228 -0.661 3.429
112 HD11 ILE 12 3HD1 ILE 12 2.195 -2.654 2.358
113 HD12 ILE 12 1HD1 ILE 12 1.536 -4.284 2.212
114 HD13 ILE 12 2HD1 ILE 12 2.874 -3.969 3.319
115 H VAL 13 H VAL 13 -3.024 -3.551 3.122
116 HA VAL 13 HA VAL 13 -4.340 -1.351 2.070
117 HB VAL 13 HB VAL 13 -5.340 -4.168 2.492
118 HG11 VAL 13 1HG1 VAL 13 -7.032 -3.671 0.771
119 HG12 VAL 13 2HG1 VAL 13 -6.555 -1.974 0.816
120 HG13 VAL 13 3HG1 VAL 13 -7.270 -2.727 2.240
121 HG21 VAL 13 3HG2 VAL 13 -4.184 -2.764 0.088
122 HG22 VAL 13 1HG2 VAL 13 -4.814 -4.409 0.101
123 HG23 VAL 13 2HG2 VAL 13 -3.391 -4.003 1.060
124 H LYS 14 H LYS 14 -5.145 -3.247 4.951
125 HA LYS 14 HA LYS 14 -7.637 -2.053 5.448
126 HB2 LYS 14 2HB LYS 14 -6.892 -4.191 6.418
127 HB3 LYS 14 1HB LYS 14 -5.723 -3.327 7.404
128 HG2 LYS 14 2HG LYS 14 -7.362 -2.412 8.768
129 HG3 LYS 14 1HG LYS 14 -8.641 -2.699 7.587
130 HD2 LYS 14 2HD LYS 14 -8.802 -4.265 9.457
131 HD3 LYS 14 1HD LYS 14 -8.450 -5.108 7.947
132 HE2 LYS 14 2HE LYS 14 -6.027 -5.067 8.610
133 HE3 LYS 14 1HE LYS 14 -6.540 -4.461 10.186
134 HZ1 LYS 14 3HZ LYS 14 -7.887 -6.467 10.460
135 HZ2 LYS 14 1HZ LYS 14 -6.248 -6.848 10.235
136 HZ3 LYS 14 2HZ LYS 14 -7.346 -7.045 8.960
137 H HIS 15 H HIS 15 -4.368 -1.111 6.391
138 HA HIS 15 HA HIS 15 -5.361 1.052 8.065
139 HD1 HIS 15 HD1 HIS 15 -3.020 -2.130 8.632
140 HD2 HIS 15 HD2 HIS 15 -3.710 1.291 10.887
141 HE1 HIS 15 HE1 HIS 15 -3.161 -2.907 11.022
142 HE2 HIS 15 HE2 HIS 15 -3.341 -0.790 12.373
143 HB2 HIS 15 2HB HIS 15 -2.606 0.066 7.361
144 HB3 HIS 15 1HB HIS 15 -2.858 1.574 8.227
145 H ALA 16 H ALA 16 -4.319 0.551 4.826
146 HA ALA 16 HA ALA 16 -3.233 3.078 4.247
147 HB1 ALA 16 3HB ALA 16 -3.476 2.468 1.906
148 HB2 ALA 16 1HB ALA 16 -4.540 1.132 2.350
149 HB3 ALA 16 2HB ALA 16 -2.847 1.114 2.843
150 H ARG 17 H ARG 17 -6.547 2.001 4.430
151 HA ARG 17 HA ARG 17 -7.602 4.082 2.786
152 HE ARG 17 HE ARG 17 -12.459 3.395 1.731
153 HB2 ARG 17 2HB ARG 17 -8.753 1.881 3.335
154 HB3 ARG 17 1HB ARG 17 -9.148 2.582 4.900
155 HG2 ARG 17 2HG ARG 17 -10.323 4.417 3.762
156 HG3 ARG 17 1HG ARG 17 -9.967 3.659 2.211
157 HD2 ARG 17 2HD ARG 17 -11.222 1.657 2.954
158 HD3 ARG 17 1HD ARG 17 -11.645 2.514 4.437
159 HH11 ARG 17 1HH1 ARG 17 -13.077 3.002 5.162
160 HH12 ARG 17 2HH1 ARG 17 -14.663 3.710 5.086
161 HH21 ARG 17 1HH2 ARG 17 -14.540 4.340 1.635
162 HH22 ARG 17 2HH2 ARG 17 -15.483 4.503 3.084
163 H ILE 18 H ILE 18 -6.302 4.107 5.875
164 HA ILE 18 HA ILE 18 -7.901 6.355 6.829
165 HB ILE 18 HB ILE 18 -5.425 5.163 8.093
166 HG12 ILE 18 2HG1 ILE 18 -8.297 4.473 8.735
167 HG13 ILE 18 1HG1 ILE 18 -7.267 3.483 7.708
168 HG21 ILE 18 1HG2 ILE 18 -7.666 6.841 9.214
169 HG22 ILE 18 2HG2 ILE 18 -6.001 7.353 8.941
170 HG23 ILE 18 3HG2 ILE 18 -6.358 6.128 10.160
171 HD11 ILE 18 3HD1 ILE 18 -6.797 4.135 10.605
172 HD12 ILE 18 1HD1 ILE 18 -5.711 3.191 9.585
173 HD13 ILE 18 2HD1 ILE 18 -7.330 2.590 9.944
174 H PHE 19 H PHE 19 -4.620 5.613 5.812
175 HA PHE 19 HA PHE 19 -3.865 8.436 5.963
176 HD1 PHE 19 HD2 PHE 19 -1.713 8.982 7.775
177 HD2 PHE 19 HD1 PHE 19 -2.972 4.920 7.811
178 HE1 PHE 19 HE2 PHE 19 -1.734 9.015 10.234
179 HE2 PHE 19 HE1 PHE 19 -2.998 4.946 10.270
180 HZ PHE 19 HZ PHE 19 -2.380 6.995 11.485
181 HB2 PHE 19 2HB PHE 19 -2.190 5.923 5.795
182 HB3 PHE 19 1HB PHE 19 -1.528 7.556 5.782
183 H LEU 20 H LEU 20 -5.338 6.784 3.817
184 HA LEU 20 HA LEU 20 -4.125 6.156 1.562
185 HG LEU 20 HG LEU 20 -6.975 7.877 3.110
186 HB2 LEU 20 2HB LEU 20 -6.169 6.994 0.342
187 HB3 LEU 20 1HB LEU 20 -6.411 5.865 1.655
188 HD11 LEU 20 1HD1 LEU 20 -7.154 9.226 0.421
189 HD12 LEU 20 2HD1 LEU 20 -6.030 9.630 1.718
190 HD13 LEU 20 3HD1 LEU 20 -7.762 9.877 1.942
191 HD21 LEU 20 3HD2 LEU 20 -8.754 7.265 0.755
192 HD22 LEU 20 1HD2 LEU 20 -9.265 7.977 2.286
193 HD23 LEU 20 2HD2 LEU 20 -8.648 6.325 2.243
194 H THR 21 H THR 21 -4.075 9.452 2.608
195 HA THR 21 HA THR 21 -2.874 10.135 0.015
196 HB THR 21 HB THR 21 -4.841 11.463 0.223
197 HG1 THR 21 HG1 THR 21 -3.927 13.562 0.245
198 HG21 THR 21 3HG2 THR 21 -5.300 12.919 2.133
199 HG22 THR 21 1HG2 THR 21 -3.864 12.304 2.953
200 HG23 THR 21 2HG2 THR 21 -5.222 11.228 2.624
201 H GLY 22 H GLY 22 -0.751 9.743 0.417
202 HA2 GLY 22 2HA GLY 22 0.882 11.589 1.562
203 HA3 GLY 22 1HA GLY 22 0.466 10.541 2.909
204 H VAL 23 H VAL 23 2.393 9.587 3.261
205 HA VAL 23 HA VAL 23 3.474 7.937 1.083
206 HB VAL 23 HB VAL 23 5.163 9.440 3.089
207 HG11 VAL 23 1HG1 VAL 23 5.925 7.793 0.682
208 HG12 VAL 23 2HG1 VAL 23 6.167 7.354 2.373
209 HG13 VAL 23 3HG1 VAL 23 7.042 8.721 1.684
210 HG21 VAL 23 3HG2 VAL 23 5.887 10.833 1.214
211 HG22 VAL 23 1HG2 VAL 23 4.154 10.991 1.504
212 HG23 VAL 23 2HG2 VAL 23 4.737 10.011 0.158
213 H ILE 24 H ILE 24 3.921 5.880 1.641
214 HA ILE 24 HA ILE 24 3.689 5.173 4.491
215 HB ILE 24 HB ILE 24 1.866 4.192 3.280
216 HG12 ILE 24 2HG1 ILE 24 4.007 2.119 3.803
217 HG13 ILE 24 1HG1 ILE 24 2.871 2.764 4.985
218 HG21 ILE 24 1HG2 ILE 24 2.161 2.718 1.361
219 HG22 ILE 24 2HG2 ILE 24 3.898 3.024 1.386
220 HG23 ILE 24 3HG2 ILE 24 2.776 4.337 1.030
221 HD11 ILE 24 3HD1 ILE 24 2.160 1.120 2.564
222 HD12 ILE 24 1HD1 ILE 24 1.020 1.771 3.742
223 HD13 ILE 24 2HD1 ILE 24 2.200 0.559 4.237
224 H TRP 25 H TRP 25 5.439 4.324 5.430
225 HA TRP 25 HA TRP 25 7.716 3.713 3.691
226 HD1 TRP 25 HD1 TRP 25 6.544 6.535 4.566
227 HE1 TRP 25 HE1 TRP 25 7.907 8.655 3.975
228 HE3 TRP 25 HE3 TRP 25 11.170 4.916 5.962
229 HZ2 TRP 25 HZ2 TRP 25 10.596 9.498 4.088
230 HZ3 TRP 25 HZ3 TRP 25 13.091 6.428 5.687
231 HH2 TRP 25 HH2 TRP 25 12.809 8.674 4.768
232 HB2 TRP 25 2HB TRP 25 7.542 4.496 6.593
233 HB3 TRP 25 1HB TRP 25 9.019 3.860 5.877
234 H VAL 26 H VAL 26 7.586 1.670 3.122
235 HA VAL 26 HA VAL 26 7.121 -0.379 5.172
236 HB VAL 26 HB VAL 26 7.657 -0.965 2.284
237 HG11 VAL 26 1HG1 VAL 26 7.683 -2.845 3.805
238 HG12 VAL 26 2HG1 VAL 26 6.283 -2.946 2.736
239 HG13 VAL 26 3HG1 VAL 26 6.083 -2.408 4.403
240 HG21 VAL 26 3HG2 VAL 26 4.978 -0.249 3.466
241 HG22 VAL 26 1HG2 VAL 26 5.235 -0.911 1.852
242 HG23 VAL 26 2HG2 VAL 26 5.871 0.681 2.263
243 H LYS 27 H LYS 27 8.681 -1.909 5.677
244 HA LYS 27 HA LYS 27 11.345 -0.860 5.556
245 HB2 LYS 27 2HB LYS 27 10.226 -3.369 6.803
246 HB3 LYS 27 1HB LYS 27 11.888 -2.835 6.978
247 HG2 LYS 27 2HG LYS 27 9.464 -1.288 7.861
248 HG3 LYS 27 1HG LYS 27 10.520 -2.236 8.912
249 HD2 LYS 27 2HD LYS 27 12.381 -0.790 8.434
250 HD3 LYS 27 1HD LYS 27 11.449 0.080 7.215
251 HE2 LYS 27 2HE LYS 27 9.947 0.920 8.919
252 HE3 LYS 27 1HE LYS 27 10.777 -0.023 10.152
253 HZ1 LYS 27 3HZ LYS 27 11.441 2.334 10.120
254 HZ2 LYS 27 1HZ LYS 27 12.053 2.127 8.547
255 HZ3 LYS 27 2HZ LYS 27 12.745 1.282 9.843
256 H ASP 28 H ASP 28 9.586 -3.185 3.746
257 HA ASP 28 HA ASP 28 11.956 -4.683 2.983
258 HB2 ASP 28 2HB ASP 28 9.732 -5.774 3.465
259 HB3 ASP 28 1HB ASP 28 9.130 -5.048 1.977
260 H LEU 29 H LEU 29 10.260 -1.976 1.874
261 HA LEU 29 HA LEU 29 11.467 -2.232 -0.798
262 HG LEU 29 HG LEU 29 8.770 -3.621 -0.334
263 HB2 LEU 29 2HB LEU 29 8.729 -1.146 -0.140
264 HB3 LEU 29 1HB LEU 29 9.488 -1.034 -1.716
265 HD11 LEU 29 1HD1 LEU 29 6.979 -3.774 -1.981
266 HD12 LEU 29 2HD1 LEU 29 7.417 -2.188 -2.615
267 HD13 LEU 29 3HD1 LEU 29 6.787 -2.338 -0.975
268 HD21 LEU 29 3HD2 LEU 29 9.715 -3.059 -3.142
269 HD22 LEU 29 1HD2 LEU 29 9.253 -4.632 -2.494
270 HD23 LEU 29 2HD2 LEU 29 10.676 -3.802 -1.863
271 H GLY 30 H GLY 30 10.146 -0.007 1.618
272 HA2 GLY 30 2HA GLY 30 11.686 1.927 2.118
273 HA3 GLY 30 1HA GLY 30 11.695 2.172 0.374
274 H ARG 31 H ARG 31 10.848 4.343 0.911
275 HA ARG 31 HA ARG 31 8.159 4.443 1.937
276 HE ARG 31 HE ARG 31 11.831 8.823 -0.554
277 HB2 ARG 31 2HB ARG 31 8.247 6.826 1.572
278 HB3 ARG 31 1HB ARG 31 9.728 6.299 2.350
279 HG2 ARG 31 2HG ARG 31 10.933 6.471 0.282
280 HG3 ARG 31 1HG ARG 31 9.447 6.843 -0.596
281 HD2 ARG 31 2HD ARG 31 9.182 8.878 0.746
282 HD3 ARG 31 1HD ARG 31 10.682 8.513 1.590
283 HH11 ARG 31 1HH1 ARG 31 8.585 10.086 -0.256
284 HH12 ARG 31 2HH1 ARG 31 8.821 11.337 -1.431
285 HH21 ARG 31 1HH2 ARG 31 12.172 10.501 -2.065
286 HH22 ARG 31 2HH2 ARG 31 10.863 11.574 -2.471
287 H LEU 32 H LEU 32 6.333 4.406 0.846
288 HA LEU 32 HA LEU 32 6.450 4.505 -2.100
289 HG LEU 32 HG LEU 32 6.758 1.841 -0.530
290 HB2 LEU 32 2HB LEU 32 4.541 2.957 -0.336
291 HB3 LEU 32 1HB LEU 32 4.459 3.035 -2.084
292 HD11 LEU 32 1HD1 LEU 32 4.472 0.515 -1.984
293 HD12 LEU 32 2HD1 LEU 32 4.738 0.521 -0.242
294 HD13 LEU 32 3HD1 LEU 32 5.872 -0.316 -1.302
295 HD21 LEU 32 3HD2 LEU 32 6.100 1.859 -3.475
296 HD22 LEU 32 1HD2 LEU 32 7.404 0.934 -2.725
297 HD23 LEU 32 2HD2 LEU 32 7.443 2.696 -2.693
298 H GLU 33 H GLU 33 4.679 5.526 -3.157
299 HA GLU 33 HA GLU 33 3.361 7.532 -1.456
300 HB2 GLU 33 2HB GLU 33 4.006 7.631 -4.411
301 HB3 GLU 33 1HB GLU 33 3.246 8.920 -3.485
302 HG2 GLU 33 2HG GLU 33 5.215 9.302 -2.232
303 HG3 GLU 33 1HG GLU 33 5.969 7.829 -2.844
304 H PHE 34 H PHE 34 1.211 7.626 -1.389
305 HA PHE 34 HA PHE 34 -0.354 6.292 -3.451
306 HD1 PHE 34 HD1 PHE 34 1.362 6.263 -0.055
307 HD2 PHE 34 HD2 PHE 34 -2.669 4.948 0.292
308 HE1 PHE 34 HE1 PHE 34 1.476 6.564 2.379
309 HE2 PHE 34 HE2 PHE 34 -2.557 5.245 2.725
310 HZ PHE 34 HZ PHE 34 -0.484 6.053 3.775
311 HB2 PHE 34 2HB PHE 34 -1.747 5.107 -1.787
312 HB3 PHE 34 1HB PHE 34 -0.087 4.537 -1.791
313 H GLU 35 H GLU 35 -2.393 7.101 -3.728
314 HA GLU 35 HA GLU 35 -3.171 9.387 -2.059
315 HB2 GLU 35 2HB GLU 35 -1.933 10.245 -4.021
316 HB3 GLU 35 1HB GLU 35 -3.053 9.405 -5.082
317 HG2 GLU 35 2HG GLU 35 -4.889 10.779 -4.092
318 HG3 GLU 35 1HG GLU 35 -3.650 11.707 -3.246
319 H LYS 36 H LYS 36 -5.326 9.552 -1.747
320 HA LYS 36 HA LYS 36 -7.418 8.759 -1.419
321 HB2 LYS 36 2HB LYS 36 -8.847 8.720 -3.373
322 HB3 LYS 36 1HB LYS 36 -7.715 10.052 -3.479
323 HG2 LYS 36 2HG LYS 36 -6.389 8.849 -5.104
324 HG3 LYS 36 1HG LYS 36 -7.428 7.434 -4.940
325 HD2 LYS 36 2HD LYS 36 -8.031 8.656 -6.936
326 HD3 LYS 36 1HD LYS 36 -9.334 8.778 -5.756
327 HE2 LYS 36 2HE LYS 36 -9.046 10.937 -6.705
328 HE3 LYS 36 1HE LYS 36 -8.384 10.995 -5.072
329 HZ1 LYS 36 3HZ LYS 36 -6.160 10.714 -6.029
330 HZ2 LYS 36 1HZ LYS 36 -6.923 12.107 -6.613
331 HZ3 LYS 36 2HZ LYS 36 -6.819 10.723 -7.588
332 H GLY 37 H GLY 37 -5.393 6.724 -1.267
333 HA2 GLY 37 2HA GLY 37 -5.694 4.498 -0.584
334 HA3 GLY 37 1HA GLY 37 -7.194 4.442 -1.494
335 H ARG 38 H ARG 38 -5.193 5.771 -3.628
336 HA ARG 38 HA ARG 38 -4.562 3.155 -4.822
337 HE ARG 38 HE ARG 38 -8.665 3.781 -6.996
338 HB2 ARG 38 2HB ARG 38 -4.644 5.905 -6.097
339 HB3 ARG 38 1HB ARG 38 -4.333 4.391 -6.938
340 HG2 ARG 38 2HG ARG 38 -6.891 5.157 -5.548
341 HG3 ARG 38 1HG ARG 38 -6.618 5.120 -7.290
342 HD2 ARG 38 2HD ARG 38 -6.198 2.708 -7.165
343 HD3 ARG 38 1HD ARG 38 -6.477 2.751 -5.424
344 HH11 ARG 38 1HH1 ARG 38 -7.212 0.899 -5.636
345 HH12 ARG 38 2HH1 ARG 38 -8.711 0.030 -5.550
346 HH21 ARG 38 1HH2 ARG 38 -10.644 2.625 -6.882
347 HH22 ARG 38 2HH2 ARG 38 -10.657 0.988 -6.285
348 H PHE 39 H PHE 39 -2.767 2.496 -4.166
349 HA PHE 39 HA PHE 39 -0.379 3.875 -3.768
350 HD1 PHE 39 HD2 PHE 39 -2.468 0.972 -2.463
351 HD2 PHE 39 HD1 PHE 39 1.647 2.047 -2.365
352 HE1 PHE 39 HE2 PHE 39 -2.436 0.612 -0.031
353 HE2 PHE 39 HE1 PHE 39 1.687 1.688 0.068
354 HZ PHE 39 HZ PHE 39 -0.358 0.969 1.238
355 HB2 PHE 39 2HB PHE 39 -1.181 1.088 -4.481
356 HB3 PHE 39 1HB PHE 39 0.536 1.510 -4.462
357 H LEU 40 H LEU 40 0.764 5.021 -5.212
358 HA LEU 40 HA LEU 40 0.034 5.174 -7.930
359 HG LEU 40 HG LEU 40 0.541 7.225 -5.610
360 HB2 LEU 40 2HB LEU 40 2.536 6.145 -6.548
361 HB3 LEU 40 1HB LEU 40 2.037 6.608 -8.163
362 HD11 LEU 40 1HD1 LEU 40 1.182 9.536 -6.056
363 HD12 LEU 40 2HD1 LEU 40 2.090 9.020 -7.476
364 HD13 LEU 40 3HD1 LEU 40 2.607 8.516 -5.868
365 HD21 LEU 40 3HD2 LEU 40 -0.033 7.995 -8.471
366 HD22 LEU 40 1HD2 LEU 40 -0.886 8.613 -7.056
367 HD23 LEU 40 2HD2 LEU 40 -0.988 6.901 -7.470
368 H LEU 41 H LEU 41 0.482 3.862 -9.516
369 HA LEU 41 HA LEU 41 2.432 1.765 -9.231
370 HG LEU 41 HG LEU 41 0.634 -0.067 -11.905
371 HB2 LEU 41 2HB LEU 41 0.110 1.631 -10.347
372 HB3 LEU 41 1HB LEU 41 0.856 2.431 -11.712
373 HD11 LEU 41 1HD1 LEU 41 2.202 1.156 -13.306
374 HD12 LEU 41 2HD1 LEU 41 2.857 -0.418 -12.855
375 HD13 LEU 41 3HD1 LEU 41 3.433 1.043 -12.048
376 HD21 LEU 41 3HD2 LEU 41 2.785 -0.038 -9.794
377 HD22 LEU 41 1HD2 LEU 41 2.281 -1.448 -10.724
378 HD23 LEU 41 2HD2 LEU 41 1.150 -0.675 -9.615
379 HA PRO 42 HA PRO 42 5.507 4.348 -11.242
380 HB2 PRO 42 2HB PRO 42 7.637 2.846 -10.571
381 HB3 PRO 42 1HB PRO 42 6.826 3.899 -9.407
382 HG2 PRO 42 2HG PRO 42 6.662 0.942 -9.725
383 HG3 PRO 42 1HG PRO 42 6.624 1.917 -8.247
384 HD2 PRO 42 2HD PRO 42 4.409 0.831 -9.524
385 HD3 PRO 42 1HD PRO 42 4.371 2.156 -8.347
386 H ARG 43 H ARG 43 5.971 4.302 -13.339
387 HA ARG 43 HA ARG 43 5.317 2.077 -14.953
388 HE ARG 43 HE ARG 43 3.558 4.757 -16.502
389 HB2 ARG 43 2HB ARG 43 5.414 4.640 -15.493
390 HB3 ARG 43 1HB ARG 43 7.082 4.293 -15.932
391 HG2 ARG 43 2HG ARG 43 5.667 4.225 -17.893
392 HG3 ARG 43 1HG ARG 43 6.291 2.611 -17.541
393 HD2 ARG 43 2HD ARG 43 3.873 2.674 -18.161
394 HD3 ARG 43 1HD ARG 43 4.203 1.933 -16.595
395 HH11 ARG 43 1HH1 ARG 43 2.247 1.501 -16.461
396 HH12 ARG 43 2HH1 ARG 43 0.846 1.951 -15.530
397 HH21 ARG 43 1HH2 ARG 43 1.721 5.333 -15.287
398 HH22 ARG 43 2HH2 ARG 43 0.548 4.119 -14.872
399 H LYS 44 H LYS 44 8.498 3.666 -14.624
400 HA LYS 44 HA LYS 44 9.819 1.162 -15.285
401 HB2 LYS 44 2HB LYS 44 10.713 3.232 -16.246
402 HB3 LYS 44 1HB LYS 44 10.952 3.893 -14.634
403 HG2 LYS 44 2HG LYS 44 12.612 2.193 -14.155
404 HG3 LYS 44 1HG LYS 44 12.342 1.461 -15.736
405 HD2 LYS 44 2HD LYS 44 13.276 4.305 -15.363
406 HD3 LYS 44 1HD LYS 44 14.376 2.941 -15.556
407 HE2 LYS 44 2HE LYS 44 14.195 3.780 -17.710
408 HE3 LYS 44 1HE LYS 44 13.046 2.446 -17.702
409 HZ1 LYS 44 3HZ LYS 44 11.303 4.183 -17.190
410 HZ2 LYS 44 1HZ LYS 44 11.972 4.234 -18.745
411 HZ3 LYS 44 2HZ LYS 44 12.472 5.350 -17.575
412 H SER 45 H SER 45 9.407 -0.160 -13.551
413 HA SER 45 HA SER 45 10.620 0.662 -11.010
414 HG SER 45 HG SER 45 7.064 -0.100 -12.006
415 HB2 SER 45 2HB SER 45 8.735 -0.624 -9.889
416 HB3 SER 45 1HB SER 45 8.291 0.916 -10.626
417 H LEU 46 H LEU 46 11.100 -1.166 -9.566
418 HA LEU 46 HA LEU 46 12.236 -3.400 -10.988
419 HG LEU 46 HG LEU 46 14.537 -2.816 -8.144
420 HB2 LEU 46 2HB LEU 46 12.050 -2.678 -8.067
421 HB3 LEU 46 1HB LEU 46 12.683 -4.224 -8.592
422 HD11 LEU 46 1HD1 LEU 46 14.810 -4.202 -10.095
423 HD12 LEU 46 2HD1 LEU 46 15.639 -2.662 -10.334
424 HD13 LEU 46 3HD1 LEU 46 14.087 -2.960 -11.116
425 HD21 LEU 46 3HD2 LEU 46 13.292 -0.764 -9.969
426 HD22 LEU 46 1HD2 LEU 46 14.870 -0.637 -9.191
427 HD23 LEU 46 2HD2 LEU 46 13.403 -0.660 -8.212
428 HA PRO 47 HA PRO 47 8.823 -6.118 -11.199
429 HB2 PRO 47 2HB PRO 47 10.709 -8.188 -10.172
430 HB3 PRO 47 1HB PRO 47 9.671 -8.219 -11.602
431 HG2 PRO 47 2HG PRO 47 12.285 -7.799 -11.838
432 HG3 PRO 47 1HG PRO 47 11.128 -6.917 -12.852
433 HD2 PRO 47 2HD PRO 47 12.685 -5.975 -10.493
434 HD3 PRO 47 1HD PRO 47 12.199 -5.090 -11.953
435 H LYS 48 H LYS 48 10.844 -6.599 -8.300
436 HA LYS 48 HA LYS 48 8.790 -7.861 -6.812
437 HB2 LYS 48 2HB LYS 48 10.260 -7.657 -4.900
438 HB3 LYS 48 1HB LYS 48 11.174 -8.170 -6.307
439 HG2 LYS 48 2HG LYS 48 11.886 -5.776 -6.590
440 HG3 LYS 48 1HG LYS 48 11.145 -5.457 -5.018
441 HD2 LYS 48 2HD LYS 48 12.583 -7.243 -4.050
442 HD3 LYS 48 1HD LYS 48 13.396 -7.371 -5.609
443 HE2 LYS 48 2HE LYS 48 14.758 -5.978 -4.271
444 HE3 LYS 48 1HE LYS 48 13.922 -4.913 -5.401
445 HZ1 LYS 48 3HZ LYS 48 14.019 -4.164 -3.022
446 HZ2 LYS 48 1HZ LYS 48 12.934 -5.411 -2.651
447 HZ3 LYS 48 2HZ LYS 48 12.475 -4.176 -3.715
448 H VAL 49 H VAL 49 9.592 -4.543 -7.376
449 HA VAL 49 HA VAL 49 8.027 -3.556 -5.147
450 HB VAL 49 HB VAL 49 9.157 -2.012 -7.496
451 HG11 VAL 49 1HG1 VAL 49 8.203 -1.095 -4.784
452 HG12 VAL 49 2HG1 VAL 49 7.388 -0.821 -6.325
453 HG13 VAL 49 3HG1 VAL 49 8.953 -0.070 -6.007
454 HG21 VAL 49 3HG2 VAL 49 10.355 -2.526 -4.774
455 HG22 VAL 49 1HG2 VAL 49 10.999 -1.409 -5.976
456 HG23 VAL 49 2HG2 VAL 49 10.953 -3.138 -6.316
457 H LYS 50 H LYS 50 7.818 -3.674 -8.671
458 HA LYS 50 HA LYS 50 5.329 -2.455 -8.999
459 HB2 LYS 50 2HB LYS 50 6.882 -2.905 -10.843
460 HB3 LYS 50 1HB LYS 50 6.608 -4.631 -10.659
461 HG2 LYS 50 2HG LYS 50 4.191 -4.213 -11.180
462 HG3 LYS 50 1HG LYS 50 4.638 -2.550 -11.569
463 HD2 LYS 50 2HD LYS 50 6.128 -3.313 -13.303
464 HD3 LYS 50 1HD LYS 50 5.831 -4.996 -12.865
465 HE2 LYS 50 2HE LYS 50 3.409 -4.597 -13.403
466 HE3 LYS 50 1HE LYS 50 3.887 -3.031 -14.057
467 HZ1 LYS 50 3HZ LYS 50 5.317 -4.154 -15.637
468 HZ2 LYS 50 1HZ LYS 50 3.722 -4.721 -15.782
469 HZ3 LYS 50 2HZ LYS 50 4.888 -5.663 -14.991
470 H GLN 51 H GLN 51 6.167 -5.869 -8.498
471 HA GLN 51 HA GLN 51 3.563 -6.885 -8.831
472 HB2 GLN 51 2HB GLN 51 6.006 -8.027 -8.463
473 HB3 GLN 51 1HB GLN 51 5.297 -8.278 -6.876
474 HG2 GLN 51 2HG GLN 51 3.985 -9.114 -9.451
475 HG3 GLN 51 1HG GLN 51 5.000 -10.165 -8.471
476 HE21 GLN 51 1HE2 GLN 51 4.023 -9.186 -5.931
477 HE22 GLN 51 2HE2 GLN 51 2.413 -9.805 -5.747
478 H ALA 52 H ALA 52 5.318 -5.804 -5.946
479 HA ALA 52 HA ALA 52 3.369 -6.478 -4.046
480 HB1 ALA 52 3HB ALA 52 5.355 -4.214 -3.942
481 HB2 ALA 52 1HB ALA 52 5.690 -5.887 -3.497
482 HB3 ALA 52 2HB ALA 52 4.525 -4.944 -2.569
483 H ILE 53 H ILE 53 3.983 -3.391 -5.696
484 HA ILE 53 HA ILE 53 1.893 -1.961 -4.473
485 HB ILE 53 HB ILE 53 3.259 -1.506 -7.125
486 HG12 ILE 53 2HG1 ILE 53 3.694 -0.273 -4.389
487 HG13 ILE 53 1HG1 ILE 53 4.750 -1.449 -5.166
488 HG21 ILE 53 1HG2 ILE 53 2.421 0.798 -6.981
489 HG22 ILE 53 2HG2 ILE 53 1.503 0.372 -5.537
490 HG23 ILE 53 3HG2 ILE 53 1.102 -0.368 -7.088
491 HD11 ILE 53 3HD1 ILE 53 5.242 0.160 -6.928
492 HD12 ILE 53 1HD1 ILE 53 5.648 0.796 -5.334
493 HD13 ILE 53 2HD1 ILE 53 4.180 1.334 -6.150
494 H LEU 54 H LEU 54 2.022 -3.636 -7.611
495 HA LEU 54 HA LEU 54 -0.627 -2.901 -8.306
496 HG LEU 54 HG LEU 54 0.633 -5.663 -11.151
497 HB2 LEU 54 2HB LEU 54 0.161 -3.476 -10.292
498 HB3 LEU 54 1HB LEU 54 1.596 -4.124 -9.552
499 HD11 LEU 54 1HD1 LEU 54 0.569 -7.667 -9.806
500 HD12 LEU 54 2HD1 LEU 54 0.354 -6.694 -8.349
501 HD13 LEU 54 3HD1 LEU 54 1.850 -6.574 -9.272
502 HD21 LEU 54 3HD2 LEU 54 -1.696 -5.031 -11.036
503 HD22 LEU 54 1HD2 LEU 54 -1.820 -5.701 -9.409
504 HD23 LEU 54 2HD2 LEU 54 -1.510 -6.765 -10.780
505 H GLU 55 H GLU 55 0.749 -5.592 -6.543
506 HA GLU 55 HA GLU 55 -1.587 -7.211 -6.527
507 HB2 GLU 55 2HB GLU 55 0.705 -8.027 -5.949
508 HB3 GLU 55 1HB GLU 55 0.614 -7.110 -4.454
509 HG2 GLU 55 2HG GLU 55 -1.241 -8.459 -3.696
510 HG3 GLU 55 1HG GLU 55 -1.262 -9.335 -5.227
511 H LEU 56 H LEU 56 -0.337 -4.687 -4.390
512 HA LEU 56 HA LEU 56 -2.337 -4.854 -2.418
513 HG LEU 56 HG LEU 56 0.673 -4.284 -2.323
514 HB2 LEU 56 2HB LEU 56 -0.691 -2.495 -3.333
515 HB3 LEU 56 1HB LEU 56 -1.718 -2.481 -1.912
516 HD11 LEU 56 1HD1 LEU 56 1.722 -2.935 -0.575
517 HD12 LEU 56 2HD1 LEU 56 0.310 -1.876 -0.550
518 HD13 LEU 56 3HD1 LEU 56 1.320 -1.962 -1.992
519 HD21 LEU 56 3HD2 LEU 56 -1.060 -5.327 -0.953
520 HD22 LEU 56 1HD2 LEU 56 -1.105 -3.902 0.085
521 HD23 LEU 56 2HD2 LEU 56 0.350 -4.897 0.016
522 H ASN 57 H ASN 57 -2.139 -2.885 -5.371
523 HA ASN 57 HA ASN 57 -4.603 -1.549 -5.043
524 HB2 ASN 57 2HB ASN 57 -2.878 -2.134 -7.430
525 HB3 ASN 57 1HB ASN 57 -4.478 -1.437 -7.652
526 HD21 ASN 57 1HD2 ASN 57 -1.250 -0.903 -6.519
527 HD22 ASN 57 2HD2 ASN 57 -1.404 0.811 -6.307
528 H GLU 58 H GLU 58 -3.751 -4.589 -6.592
529 HA GLU 58 HA GLU 58 -6.294 -5.187 -7.656
530 HB2 GLU 58 2HB GLU 58 -4.033 -6.270 -8.173
531 HB3 GLU 58 1HB GLU 58 -4.282 -7.224 -6.722
532 HG2 GLU 58 2HG GLU 58 -4.962 -8.489 -8.647
533 HG3 GLU 58 1HG GLU 58 -6.372 -8.094 -7.668
534 H LEU 59 H LEU 59 -4.702 -6.036 -4.631
535 HA LEU 59 HA LEU 59 -6.708 -7.605 -3.487
536 HG LEU 59 HG LEU 59 -6.459 -6.653 -0.531
537 HB2 LEU 59 2HB LEU 59 -4.407 -7.383 -2.623
538 HB3 LEU 59 1HB LEU 59 -4.771 -5.748 -2.104
539 HD11 LEU 59 1HD1 LEU 59 -6.429 -9.065 -0.042
540 HD12 LEU 59 2HD1 LEU 59 -5.383 -9.319 -1.440
541 HD13 LEU 59 3HD1 LEU 59 -7.026 -8.714 -1.664
542 HD21 LEU 59 3HD2 LEU 59 -4.854 -7.540 1.069
543 HD22 LEU 59 1HD2 LEU 59 -4.172 -6.171 0.189
544 HD23 LEU 59 2HD2 LEU 59 -3.695 -7.815 -0.231
545 H ILE 60 H ILE 60 -6.211 -4.091 -3.342
546 HA ILE 60 HA ILE 60 -8.360 -3.453 -1.660
547 HB ILE 60 HB ILE 60 -7.221 -1.819 -3.939
548 HG12 ILE 60 2HG1 ILE 60 -6.626 -1.701 -0.976
549 HG13 ILE 60 1HG1 ILE 60 -5.595 -2.487 -2.165
550 HG21 ILE 60 1HG2 ILE 60 -8.928 -0.952 -1.604
551 HG22 ILE 60 2HG2 ILE 60 -9.426 -1.007 -3.295
552 HG23 ILE 60 3HG2 ILE 60 -8.176 0.124 -2.781
553 HD11 ILE 60 3HD1 ILE 60 -5.288 -0.325 -3.286
554 HD12 ILE 60 1HD1 ILE 60 -4.734 -0.305 -1.612
555 HD13 ILE 60 2HD1 ILE 60 -6.274 0.438 -2.040
556 H GLU 61 H GLU 61 -8.223 -3.616 -5.212
557 HA GLU 61 HA GLU 61 -11.028 -3.084 -5.487
558 HB2 GLU 61 2HB GLU 61 -8.885 -3.896 -7.436
559 HB3 GLU 61 1HB GLU 61 -10.572 -3.743 -7.912
560 HG2 GLU 61 2HG GLU 61 -8.887 -1.556 -6.713
561 HG3 GLU 61 1HG GLU 61 -9.287 -1.731 -8.422
562 H ALA 62 H ALA 62 -9.432 -5.804 -4.497
563 HA ALA 62 HA ALA 62 -11.306 -7.684 -5.661
564 HB1 ALA 62 3HB ALA 62 -10.203 -9.348 -4.232
565 HB2 ALA 62 1HB ALA 62 -9.260 -8.066 -3.471
566 HB3 ALA 62 2HB ALA 62 -9.032 -8.433 -5.181
567 H GLN 63 H GLN 63 -10.580 -6.351 -2.459
568 HA GLN 63 HA GLN 63 -12.838 -7.420 -1.135
569 HB2 GLN 63 2HB GLN 63 -11.344 -4.877 -0.454
570 HB3 GLN 63 1HB GLN 63 -12.330 -5.839 0.637
571 HG2 GLN 63 2HG GLN 63 -10.743 -7.667 0.493
572 HG3 GLN 63 1HG GLN 63 -9.769 -6.751 -0.654
573 HE21 GLN 63 1HE2 GLN 63 -7.968 -6.767 0.645
574 HE22 GLN 63 2HE2 GLN 63 -7.853 -5.850 2.111
575 H ASN 64 H ASN 64 -12.171 -4.181 -2.404
576 HA ASN 64 HA ASN 64 -14.790 -3.188 -1.907
577 HB2 ASN 64 2HB ASN 64 -12.892 -1.689 -1.966
578 HB3 ASN 64 1HB ASN 64 -12.516 -2.163 -3.618
579 HD21 ASN 64 1HD2 ASN 64 -12.616 -0.089 -4.361
580 HD22 ASN 64 2HD2 ASN 64 -14.103 0.774 -4.524
581 H HIS 65 H HIS 65 -13.212 -3.245 -5.057
582 HA HIS 65 HA HIS 65 -13.823 -3.695 -7.148
583 HD1 HIS 65 HD1 HIS 65 -14.715 -7.206 -4.352
584 HD2 HIS 65 HD2 HIS 65 -17.711 -5.745 -6.843
585 HE1 HIS 65 HE1 HIS 65 -16.863 -8.156 -3.460
586 HE2 HIS 65 HE2 HIS 65 -18.641 -7.385 -5.076
587 HB2 HIS 65 2HB HIS 65 -14.889 -5.773 -7.672
588 HB3 HIS 65 1HB HIS 65 -13.791 -6.006 -6.326
589 H GLN 66 H GLN 66 -16.610 -3.222 -5.067
590 HA GLN 66 HA GLN 66 -18.440 -3.060 -7.275
591 HB2 GLN 66 2HB GLN 66 -20.119 -2.554 -5.591
592 HB3 GLN 66 1HB GLN 66 -19.146 -3.934 -5.106
593 HG2 GLN 66 2HG GLN 66 -17.810 -2.394 -3.673
594 HG3 GLN 66 1HG GLN 66 -18.963 -1.120 -4.060
595 HE21 GLN 66 1HE2 GLN 66 -21.099 -1.298 -3.303
596 HE22 GLN 66 2HE2 GLN 66 -21.508 -2.345 -1.989
597 H THR 67 H THR 67 -16.165 -0.918 -6.189
598 HA THR 67 HA THR 67 -17.633 1.501 -6.599
599 HB THR 67 HB THR 67 -15.430 1.426 -5.388
600 HG1 THR 67 HG1 THR 67 -16.221 3.210 -7.334
601 HG21 THR 67 3HG2 THR 67 -14.309 1.148 -8.184
602 HG22 THR 67 1HG2 THR 67 -14.208 -0.061 -6.902
603 HG23 THR 67 2HG2 THR 67 -13.370 1.480 -6.730
604 H LYS 68 H LYS 68 -16.087 -0.861 -8.561
605 HA LYS 68 HA LYS 68 -16.526 0.637 -11.013
606 HB2 LYS 68 2HB LYS 68 -15.606 -2.230 -10.658
607 HB3 LYS 68 1HB LYS 68 -15.460 -1.239 -12.097
608 HG2 LYS 68 2HG LYS 68 -14.075 -0.587 -9.514
609 HG3 LYS 68 1HG LYS 68 -13.350 -1.573 -10.784
610 HD2 LYS 68 2HD LYS 68 -13.393 0.232 -12.328
611 HD3 LYS 68 1HD LYS 68 -14.408 1.204 -11.262
612 HE2 LYS 68 2HE LYS 68 -12.019 1.898 -11.294
613 HE3 LYS 68 1HE LYS 68 -12.622 1.476 -9.694
614 HZ1 LYS 68 3HZ LYS 68 -10.374 0.585 -10.236
615 HZ2 LYS 68 1HZ LYS 68 -11.086 -0.405 -11.408
616 HZ3 LYS 68 2HZ LYS 68 -11.494 -0.600 -9.772
617 H THR 69 H THR 69 -18.650 0.747 -11.494
618 HA THR 69 HA THR 69 -20.648 -0.702 -10.268
619 HB THR 69 HB THR 69 -20.915 0.491 -13.025
620 HG1 THR 69 HG1 THR 69 -20.504 2.363 -12.145
621 HG21 THR 69 3HG2 THR 69 -22.853 0.244 -10.719
622 HG22 THR 69 1HG2 THR 69 -22.864 -0.742 -12.183
623 HG23 THR 69 2HG2 THR 69 -23.192 0.989 -12.281
624 H ALA 70 H ALA 70 -19.045 -1.350 -13.339
625 HA ALA 70 HA ALA 70 -18.886 -3.202 -14.633
626 HB1 ALA 70 3HB ALA 70 -18.424 -4.362 -12.515
627 HB2 ALA 70 1HB ALA 70 -19.270 -5.395 -13.671
628 HB3 ALA 70 2HB ALA 70 -20.148 -4.674 -12.322
629 H LEU 71 H LEU 71 -21.785 -1.895 -13.728
630 HA LEU 71 HA LEU 71 -23.575 -3.671 -15.093
631 HG LEU 71 HG LEU 71 -25.747 -1.749 -15.845
632 HB2 LEU 71 2HB LEU 71 -24.232 -2.089 -13.257
633 HB3 LEU 71 1HB LEU 71 -23.983 -0.763 -14.376
634 HD11 LEU 71 1HD1 LEU 71 -26.174 -3.570 -13.481
635 HD12 LEU 71 2HD1 LEU 71 -25.638 -4.049 -15.091
636 HD13 LEU 71 3HD1 LEU 71 -27.263 -3.408 -14.857
637 HD21 LEU 71 3HD2 LEU 71 -26.256 0.090 -14.345
638 HD22 LEU 71 1HD2 LEU 71 -26.565 -1.043 -13.030
639 HD23 LEU 71 2HD2 LEU 71 -27.620 -1.022 -14.442
640 H GLU 72 H GLU 72 -21.194 -1.709 -16.140
641 HA GLU 72 HA GLU 72 -22.447 -0.561 -18.461
642 HB2 GLU 72 2HB GLU 72 -19.536 -0.763 -17.667
643 HB3 GLU 72 1HB GLU 72 -20.170 0.214 -18.986
644 HG2 GLU 72 2HG GLU 72 -21.360 1.619 -17.471
645 HG3 GLU 72 1HG GLU 72 -20.981 0.562 -16.114
646 H HIS 73 H HIS 73 -21.831 -3.648 -17.806
647 HA HIS 73 HA HIS 73 -20.521 -4.314 -20.302
648 HD1 HIS 73 HD1 HIS 73 -21.711 -5.738 -16.197
649 HD2 HIS 73 HD2 HIS 73 -22.859 -8.036 -19.462
650 HE1 HIS 73 HE1 HIS 73 -23.545 -7.237 -15.360
651 HE2 HIS 73 HE2 HIS 73 -24.363 -8.461 -17.400
652 HB2 HIS 73 2HB HIS 73 -20.466 -6.585 -19.601
653 HB3 HIS 73 1HB HIS 73 -20.073 -5.626 -18.186
654 H HIS 74 H HIS 74 -21.598 -4.245 -22.085
655 HA HIS 74 HA HIS 74 -24.394 -5.182 -22.128
656 HD1 HIS 74 HD1 HIS 74 -26.618 -3.626 -22.980
657 HD2 HIS 74 HD2 HIS 74 -24.285 -3.828 -26.422
658 HE1 HIS 74 HE1 HIS 74 -28.244 -3.746 -24.901
659 HE2 HIS 74 HE2 HIS 74 -26.807 -3.608 -26.971
660 HB2 HIS 74 2HB HIS 74 -24.040 -2.795 -22.779
661 HB3 HIS 74 1HB HIS 74 -22.991 -3.332 -24.082
Start of MODEL 9
1 HA MET 1 HA MET 1 3.432 9.195 6.975
2 H1 MET 1 1H MET 1 3.582 11.317 8.072
3 H2 MET 1 2H MET 1 4.137 10.585 9.496
4 H3 MET 1 3H MET 1 2.559 10.288 8.952
5 HB2 MET 1 2HB MET 1 6.089 9.564 8.385
6 HB3 MET 1 1HB MET 1 5.828 8.606 6.937
7 HG2 MET 1 2HG MET 1 5.206 10.611 5.710
8 HG3 MET 1 1HG MET 1 5.433 11.578 7.165
9 HE1 MET 1 3HE MET 1 6.840 12.233 4.378
10 HE2 MET 1 1HE MET 1 8.459 12.654 4.934
11 HE3 MET 1 2HE MET 1 7.047 13.197 5.841
12 H ARG 2 H ARG 2 3.752 6.893 7.044
13 HA ARG 2 HA ARG 2 3.844 5.814 9.781
14 HE ARG 2 HE ARG 2 1.414 4.136 11.504
15 HB2 ARG 2 2HB ARG 2 2.102 4.910 7.494
16 HB3 ARG 2 1HB ARG 2 2.359 3.959 8.950
17 HG2 ARG 2 2HG ARG 2 1.002 6.624 8.698
18 HG3 ARG 2 1HG ARG 2 0.310 5.096 9.243
19 HD2 ARG 2 2HD ARG 2 2.325 6.823 10.670
20 HD3 ARG 2 1HD ARG 2 0.671 6.475 11.163
21 HH11 ARG 2 1HH1 ARG 2 3.776 6.740 11.519
22 HH12 ARG 2 2HH1 ARG 2 4.923 5.864 12.489
23 HH21 ARG 2 1HH2 ARG 2 2.948 2.973 12.766
24 HH22 ARG 2 2HH2 ARG 2 4.449 3.741 13.203
25 H VAL 3 H VAL 3 5.144 4.139 10.149
26 HA VAL 3 HA VAL 3 6.640 3.050 7.854
27 HB VAL 3 HB VAL 3 7.660 3.417 10.685
28 HG11 VAL 3 1HG1 VAL 3 9.074 2.509 8.177
29 HG12 VAL 3 2HG1 VAL 3 8.677 1.507 9.575
30 HG13 VAL 3 3HG1 VAL 3 9.845 2.818 9.733
31 HG21 VAL 3 3HG2 VAL 3 7.403 5.565 9.561
32 HG22 VAL 3 1HG2 VAL 3 8.334 4.969 8.189
33 HG23 VAL 3 2HG2 VAL 3 9.107 5.159 9.762
34 H PHE 4 H PHE 4 6.650 0.880 7.635
35 HA PHE 4 HA PHE 4 5.643 -0.718 9.890
36 HD1 PHE 4 HD2 PHE 4 3.650 1.284 7.380
37 HD2 PHE 4 HD1 PHE 4 2.820 -2.185 9.697
38 HE1 PHE 4 HE2 PHE 4 1.539 2.296 8.121
39 HE2 PHE 4 HE1 PHE 4 0.702 -1.183 10.448
40 HZ PHE 4 HZ PHE 4 0.060 1.067 9.665
41 HB2 PHE 4 2HB PHE 4 4.823 -0.854 6.994
42 HB3 PHE 4 1HB PHE 4 4.578 -2.204 8.095
43 HA PRO 5 HA PRO 5 9.516 -2.864 8.906
44 HB2 PRO 5 2HB PRO 5 8.880 -4.175 11.467
45 HB3 PRO 5 1HB PRO 5 10.337 -3.298 10.988
46 HG2 PRO 5 2HG PRO 5 8.594 -2.276 12.760
47 HG3 PRO 5 1HG PRO 5 9.474 -1.249 11.613
48 HD2 PRO 5 2HD PRO 5 6.642 -2.225 11.498
49 HD3 PRO 5 1HD PRO 5 7.299 -0.624 11.097
50 H VAL 6 H VAL 6 6.444 -4.082 10.102
51 HA VAL 6 HA VAL 6 6.896 -6.700 8.926
52 HB VAL 6 HB VAL 6 5.776 -6.738 11.052
53 HG11 VAL 6 1HG1 VAL 6 3.684 -4.936 9.851
54 HG12 VAL 6 2HG1 VAL 6 4.871 -4.483 11.073
55 HG13 VAL 6 3HG1 VAL 6 3.621 -5.668 11.455
56 HG21 VAL 6 3HG2 VAL 6 5.034 -8.423 9.489
57 HG22 VAL 6 1HG2 VAL 6 3.824 -7.321 8.831
58 HG23 VAL 6 2HG2 VAL 6 3.680 -7.902 10.490
59 H TYR 7 H TYR 7 6.466 -7.069 6.868
60 HA TYR 7 HA TYR 7 4.753 -5.224 5.417
61 HD1 TYR 7 HD2 TYR 7 3.991 -4.952 3.534
62 HD2 TYR 7 HD1 TYR 7 6.788 -7.799 2.061
63 HE1 TYR 7 HE2 TYR 7 3.000 -4.757 1.293
64 HE2 TYR 7 HE1 TYR 7 5.808 -7.612 -0.181
65 HH TYR 7 HH TYR 7 3.671 -5.139 -1.057
66 HB2 TYR 7 2HB TYR 7 6.894 -5.830 4.401
67 HB3 TYR 7 1HB TYR 7 6.450 -7.530 4.436
68 H ALA 8 H ALA 8 2.734 -5.706 6.132
69 HA ALA 8 HA ALA 8 1.681 -8.321 5.281
70 HB1 ALA 8 3HB ALA 8 1.634 -8.130 7.712
71 HB2 ALA 8 1HB ALA 8 -0.000 -8.139 7.050
72 HB3 ALA 8 2HB ALA 8 0.725 -6.623 7.587
73 HA PRO 9 HA PRO 9 -0.076 -5.517 2.155
74 HB2 PRO 9 2HB PRO 9 -1.444 -8.164 1.818
75 HB3 PRO 9 1HB PRO 9 -0.866 -7.039 0.584
76 HG2 PRO 9 2HG PRO 9 0.579 -9.164 1.195
77 HG3 PRO 9 1HG PRO 9 1.370 -7.597 0.937
78 HD2 PRO 9 2HD PRO 9 0.871 -9.073 3.467
79 HD3 PRO 9 1HD PRO 9 2.187 -7.961 3.047
80 H LYS 10 H LYS 10 -2.162 -7.903 3.805
81 HA LYS 10 HA LYS 10 -4.587 -6.633 3.439
82 HB2 LYS 10 2HB LYS 10 -4.489 -8.877 4.302
83 HB3 LYS 10 1HB LYS 10 -3.668 -8.330 5.759
84 HG2 LYS 10 2HG LYS 10 -5.685 -7.029 6.358
85 HG3 LYS 10 1HG LYS 10 -6.501 -7.707 4.949
86 HD2 LYS 10 2HD LYS 10 -5.349 -9.327 7.219
87 HD3 LYS 10 1HD LYS 10 -7.047 -8.877 7.062
88 HE2 LYS 10 2HE LYS 10 -5.474 -10.538 5.099
89 HE3 LYS 10 1HE LYS 10 -6.633 -11.154 6.277
90 HZ1 LYS 10 3HZ LYS 10 -8.316 -9.687 5.165
91 HZ2 LYS 10 1HZ LYS 10 -7.760 -10.989 4.235
92 HZ3 LYS 10 2HZ LYS 10 -7.179 -9.430 3.929
93 H LEU 11 H LEU 11 -2.401 -6.280 6.226
94 HA LEU 11 HA LEU 11 -4.073 -4.564 7.700
95 HG LEU 11 HG LEU 11 -1.571 -5.964 10.050
96 HB2 LEU 11 2HB LEU 11 -1.117 -5.102 7.776
97 HB3 LEU 11 1HB LEU 11 -1.849 -3.913 8.833
98 HD11 LEU 11 1HD1 LEU 11 -3.867 -6.417 10.737
99 HD12 LEU 11 2HD1 LEU 11 -4.462 -5.563 9.312
100 HD13 LEU 11 3HD1 LEU 11 -3.564 -4.690 10.555
101 HD21 LEU 11 3HD2 LEU 11 -3.197 -7.308 7.896
102 HD22 LEU 11 1HD2 LEU 11 -2.634 -8.057 9.390
103 HD23 LEU 11 2HD2 LEU 11 -1.469 -7.525 8.177
104 H ILE 12 H ILE 12 -1.441 -3.917 5.444
105 HA ILE 12 HA ILE 12 -1.350 -1.129 5.775
106 HB ILE 12 HB ILE 12 -0.643 -2.783 3.342
107 HG12 ILE 12 2HG1 ILE 12 1.101 -1.692 5.564
108 HG13 ILE 12 1HG1 ILE 12 0.588 -3.369 5.426
109 HG21 ILE 12 1HG2 ILE 12 -0.979 -0.425 2.771
110 HG22 ILE 12 2HG2 ILE 12 0.725 -0.871 2.662
111 HG23 ILE 12 3HG2 ILE 12 0.142 0.045 4.050
112 HD11 ILE 12 3HD1 ILE 12 1.812 -3.554 3.314
113 HD12 ILE 12 1HD1 ILE 12 2.864 -3.084 4.650
114 HD13 ILE 12 2HD1 ILE 12 2.332 -1.877 3.478
115 H VAL 13 H VAL 13 -3.016 -3.105 3.327
116 HA VAL 13 HA VAL 13 -4.161 -0.914 1.957
117 HB VAL 13 HB VAL 13 -4.961 -3.827 2.006
118 HG11 VAL 13 1HG1 VAL 13 -6.210 -3.342 -0.051
119 HG12 VAL 13 2HG1 VAL 13 -5.871 -1.623 0.159
120 HG13 VAL 13 3HG1 VAL 13 -6.868 -2.474 1.337
121 HG21 VAL 13 3HG2 VAL 13 -3.824 -3.897 -0.165
122 HG22 VAL 13 1HG2 VAL 13 -2.726 -3.405 1.125
123 HG23 VAL 13 2HG2 VAL 13 -3.381 -2.200 0.016
124 H LYS 14 H LYS 14 -5.422 -3.036 4.513
125 HA LYS 14 HA LYS 14 -8.059 -2.128 4.565
126 HB2 LYS 14 2HB LYS 14 -7.470 -4.045 5.868
127 HB3 LYS 14 1HB LYS 14 -6.273 -3.137 6.781
128 HG2 LYS 14 2HG LYS 14 -8.079 -1.798 7.783
129 HG3 LYS 14 1HG LYS 14 -9.262 -2.768 6.904
130 HD2 LYS 14 2HD LYS 14 -7.248 -3.982 8.775
131 HD3 LYS 14 1HD LYS 14 -8.817 -3.399 9.329
132 HE2 LYS 14 2HE LYS 14 -8.368 -5.496 7.208
133 HE3 LYS 14 1HE LYS 14 -8.828 -5.815 8.880
134 HZ1 LYS 14 3HZ LYS 14 -10.812 -4.303 8.369
135 HZ2 LYS 14 1HZ LYS 14 -10.821 -5.873 7.719
136 HZ3 LYS 14 2HZ LYS 14 -10.418 -4.553 6.738
137 H HIS 15 H HIS 15 -5.167 -0.795 6.083
138 HA HIS 15 HA HIS 15 -6.638 1.274 7.430
139 HD1 HIS 15 HD1 HIS 15 -3.439 1.482 10.241
140 HD2 HIS 15 HD2 HIS 15 -5.929 -1.364 8.505
141 HE1 HIS 15 HE1 HIS 15 -3.978 -0.157 12.069
142 HE2 HIS 15 HE2 HIS 15 -5.647 -1.749 11.050
143 HB2 HIS 15 2HB HIS 15 -3.696 0.710 7.093
144 HB3 HIS 15 1HB HIS 15 -4.290 2.145 7.915
145 H ALA 16 H ALA 16 -4.784 0.949 4.465
146 HA ALA 16 HA ALA 16 -4.600 3.670 3.778
147 HB1 ALA 16 3HB ALA 16 -3.316 1.951 2.620
148 HB2 ALA 16 1HB ALA 16 -4.279 2.891 1.478
149 HB3 ALA 16 2HB ALA 16 -4.804 1.278 1.953
150 H ARG 17 H ARG 17 -7.250 1.453 3.693
151 HA ARG 17 HA ARG 17 -8.884 2.711 1.790
152 HE ARG 17 HE ARG 17 -13.332 2.642 1.623
153 HB2 ARG 17 2HB ARG 17 -9.166 0.435 2.967
154 HB3 ARG 17 1HB ARG 17 -9.921 1.342 4.268
155 HG2 ARG 17 2HG ARG 17 -10.929 1.762 1.512
156 HG3 ARG 17 1HG ARG 17 -11.318 0.245 2.318
157 HD2 ARG 17 2HD ARG 17 -12.378 1.410 4.128
158 HD3 ARG 17 1HD ARG 17 -11.838 2.971 3.502
159 HH11 ARG 17 1HH1 ARG 17 -13.860 0.617 4.437
160 HH12 ARG 17 2HH1 ARG 17 -15.483 0.198 3.989
161 HH21 ARG 17 1HH2 ARG 17 -15.473 2.067 1.024
162 HH22 ARG 17 2HH2 ARG 17 -16.385 0.995 2.043
163 H ILE 18 H ILE 18 -8.149 3.469 5.105
164 HA ILE 18 HA ILE 18 -10.115 5.650 5.132
165 HB ILE 18 HB ILE 18 -8.372 4.650 7.392
166 HG12 ILE 18 2HG1 ILE 18 -11.304 4.108 6.851
167 HG13 ILE 18 1HG1 ILE 18 -10.002 2.951 6.600
168 HG21 ILE 18 1HG2 ILE 18 -9.918 5.917 8.824
169 HG22 ILE 18 2HG2 ILE 18 -10.728 6.533 7.386
170 HG23 ILE 18 3HG2 ILE 18 -9.046 6.956 7.700
171 HD11 ILE 18 3HD1 ILE 18 -10.793 4.154 9.244
172 HD12 ILE 18 1HD1 ILE 18 -9.513 2.971 8.981
173 HD13 ILE 18 2HD1 ILE 18 -11.193 2.534 8.676
174 H PHE 19 H PHE 19 -6.680 4.979 5.385
175 HA PHE 19 HA PHE 19 -5.991 7.770 5.797
176 HD1 PHE 19 HD2 PHE 19 -5.382 8.042 7.898
177 HD2 PHE 19 HD1 PHE 19 -4.237 3.967 7.475
178 HE1 PHE 19 HE2 PHE 19 -5.820 7.673 10.289
179 HE2 PHE 19 HE1 PHE 19 -4.674 3.590 9.865
180 HZ PHE 19 HZ PHE 19 -5.462 5.444 11.277
181 HB2 PHE 19 2HB PHE 19 -4.260 5.296 5.627
182 HB3 PHE 19 1HB PHE 19 -3.664 6.916 5.981
183 H LEU 20 H LEU 20 -6.988 6.400 3.234
184 HA LEU 20 HA LEU 20 -5.512 5.935 1.170
185 HG LEU 20 HG LEU 20 -8.249 7.939 2.459
186 HB2 LEU 20 2HB LEU 20 -7.180 7.197 -0.250
187 HB3 LEU 20 1HB LEU 20 -7.781 5.972 0.847
188 HD11 LEU 20 1HD1 LEU 20 -8.731 10.064 1.334
189 HD12 LEU 20 2HD1 LEU 20 -8.018 9.429 -0.151
190 HD13 LEU 20 3HD1 LEU 20 -7.014 9.656 1.283
191 HD21 LEU 20 3HD2 LEU 20 -9.991 6.631 1.423
192 HD22 LEU 20 1HD2 LEU 20 -9.826 7.544 -0.079
193 HD23 LEU 20 2HD2 LEU 20 -10.425 8.340 1.378
194 H THR 21 H THR 21 -5.204 9.156 2.518
195 HA THR 21 HA THR 21 -3.446 9.730 0.233
196 HB THR 21 HB THR 21 -5.254 11.296 0.101
197 HG1 THR 21 HG1 THR 21 -2.789 12.007 0.231
198 HG21 THR 21 3HG2 THR 21 -4.666 11.996 2.977
199 HG22 THR 21 1HG2 THR 21 -6.110 11.186 2.366
200 HG23 THR 21 2HG2 THR 21 -5.786 12.864 1.928
201 H GLY 22 H GLY 22 -1.543 9.007 1.048
202 HA2 GLY 22 2HA GLY 22 -0.094 10.669 2.813
203 HA3 GLY 22 1HA GLY 22 -0.658 9.260 3.696
204 H VAL 23 H VAL 23 1.860 9.240 3.810
205 HA VAL 23 HA VAL 23 2.807 7.504 1.625
206 HB VAL 23 HB VAL 23 3.974 9.604 1.410
207 HG11 VAL 23 1HG1 VAL 23 5.324 10.563 3.194
208 HG12 VAL 23 2HG1 VAL 23 4.787 9.294 4.295
209 HG13 VAL 23 3HG1 VAL 23 3.627 10.463 3.665
210 HG21 VAL 23 3HG2 VAL 23 5.769 7.550 2.703
211 HG22 VAL 23 1HG2 VAL 23 6.297 8.877 1.669
212 HG23 VAL 23 2HG2 VAL 23 5.290 7.591 1.006
213 H ILE 24 H ILE 24 3.741 5.631 2.180
214 HA ILE 24 HA ILE 24 4.104 5.089 5.059
215 HB ILE 24 HB ILE 24 2.153 3.882 4.232
216 HG12 ILE 24 2HG1 ILE 24 4.558 2.094 4.657
217 HG13 ILE 24 1HG1 ILE 24 3.495 2.739 5.905
218 HG21 ILE 24 1HG2 ILE 24 2.365 2.179 2.468
219 HG22 ILE 24 2HG2 ILE 24 4.018 2.715 2.174
220 HG23 ILE 24 3HG2 ILE 24 2.669 3.811 1.872
221 HD11 ILE 24 3HD1 ILE 24 3.033 0.394 5.438
222 HD12 ILE 24 1HD1 ILE 24 2.688 0.795 3.755
223 HD13 ILE 24 2HD1 ILE 24 1.652 1.417 5.039
224 H TRP 25 H TRP 25 5.977 4.078 5.657
225 HA TRP 25 HA TRP 25 7.867 3.476 3.483
226 HD1 TRP 25 HD1 TRP 25 10.260 1.827 5.294
227 HE1 TRP 25 HE1 TRP 25 12.676 2.108 4.461
228 HE3 TRP 25 HE3 TRP 25 10.165 6.828 4.316
229 HZ2 TRP 25 HZ2 TRP 25 14.321 4.199 3.511
230 HZ3 TRP 25 HZ3 TRP 25 12.201 7.898 3.449
231 HH2 TRP 25 HH2 TRP 25 14.237 6.609 3.055
232 HB2 TRP 25 2HB TRP 25 8.501 5.287 5.150
233 HB3 TRP 25 1HB TRP 25 8.582 4.023 6.372
234 H VAL 26 H VAL 26 7.950 1.385 3.060
235 HA VAL 26 HA VAL 26 7.471 -0.549 5.218
236 HB VAL 26 HB VAL 26 7.840 -1.218 2.308
237 HG11 VAL 26 1HG1 VAL 26 6.496 -3.192 2.894
238 HG12 VAL 26 2HG1 VAL 26 6.438 -2.633 4.565
239 HG13 VAL 26 3HG1 VAL 26 7.980 -3.081 3.839
240 HG21 VAL 26 3HG2 VAL 26 5.257 -0.489 3.686
241 HG22 VAL 26 1HG2 VAL 26 5.389 -1.166 2.064
242 HG23 VAL 26 2HG2 VAL 26 6.056 0.430 2.410
243 H LYS 27 H LYS 27 8.940 -2.260 5.577
244 HA LYS 27 HA LYS 27 11.557 -1.433 5.890
245 HB2 LYS 27 2HB LYS 27 10.623 -3.213 7.240
246 HB3 LYS 27 1HB LYS 27 10.469 -4.245 5.825
247 HG2 LYS 27 2HG LYS 27 12.933 -4.209 5.583
248 HG3 LYS 27 1HG LYS 27 13.028 -3.291 7.086
249 HD2 LYS 27 2HD LYS 27 11.791 -6.026 6.818
250 HD3 LYS 27 1HD LYS 27 13.435 -5.720 7.379
251 HE2 LYS 27 2HE LYS 27 12.520 -4.378 9.233
252 HE3 LYS 27 1HE LYS 27 10.889 -4.754 8.681
253 HZ1 LYS 27 3HZ LYS 27 12.911 -6.705 9.639
254 HZ2 LYS 27 1HZ LYS 27 11.380 -7.113 9.033
255 HZ3 LYS 27 2HZ LYS 27 11.518 -6.219 10.465
256 H ASP 28 H ASP 28 10.353 -3.719 3.443
257 HA ASP 28 HA ASP 28 13.013 -3.955 2.332
258 HB2 ASP 28 2HB ASP 28 11.603 -5.956 2.480
259 HB3 ASP 28 1HB ASP 28 10.403 -5.200 1.432
260 H LEU 29 H LEU 29 9.884 -2.675 1.285
261 HA LEU 29 HA LEU 29 10.831 -2.193 -1.379
262 HG LEU 29 HG LEU 29 8.392 -3.759 -0.118
263 HB2 LEU 29 2HB LEU 29 8.277 -1.301 -0.047
264 HB3 LEU 29 1HB LEU 29 8.613 -1.236 -1.765
265 HD11 LEU 29 1HD1 LEU 29 6.240 -2.667 -0.423
266 HD12 LEU 29 2HD1 LEU 29 6.337 -4.139 -1.393
267 HD13 LEU 29 3HD1 LEU 29 6.528 -2.563 -2.161
268 HD21 LEU 29 3HD2 LEU 29 9.971 -4.008 -1.958
269 HD22 LEU 29 1HD2 LEU 29 8.774 -3.371 -3.086
270 HD23 LEU 29 2HD2 LEU 29 8.490 -4.913 -2.278
271 H GLY 30 H GLY 30 10.488 -0.304 1.530
272 HA2 GLY 30 2HA GLY 30 11.678 1.746 1.838
273 HA3 GLY 30 1HA GLY 30 11.585 2.020 0.100
274 H ARG 31 H ARG 31 10.684 4.115 0.455
275 HA ARG 31 HA ARG 31 8.154 4.262 1.855
276 HE ARG 31 HE ARG 31 11.616 8.386 1.017
277 HB2 ARG 31 2HB ARG 31 8.247 6.627 1.527
278 HB3 ARG 31 1HB ARG 31 9.849 6.086 2.010
279 HG2 ARG 31 2HG ARG 31 10.722 6.388 -0.140
280 HG3 ARG 31 1HG ARG 31 9.123 6.459 -0.877
281 HD2 ARG 31 2HD ARG 31 9.950 8.679 -0.841
282 HD3 ARG 31 1HD ARG 31 8.733 8.572 0.426
283 HH11 ARG 31 1HH1 ARG 31 8.452 9.757 1.608
284 HH12 ARG 31 2HH1 ARG 31 8.985 10.737 2.934
285 HH21 ARG 31 1HH2 ARG 31 12.330 9.709 2.749
286 HH22 ARG 31 2HH2 ARG 31 11.177 10.721 3.582
287 H LEU 32 H LEU 32 6.187 4.502 0.975
288 HA LEU 32 HA LEU 32 5.939 4.632 -1.953
289 HG LEU 32 HG LEU 32 6.794 1.953 -0.727
290 HB2 LEU 32 2HB LEU 32 4.471 2.705 -0.140
291 HB3 LEU 32 1HB LEU 32 4.165 2.917 -1.853
292 HD11 LEU 32 1HD1 LEU 32 4.520 0.358 -1.901
293 HD12 LEU 32 2HD1 LEU 32 5.018 0.365 -0.209
294 HD13 LEU 32 3HD1 LEU 32 6.101 -0.271 -1.444
295 HD21 LEU 32 3HD2 LEU 32 5.668 1.974 -3.527
296 HD22 LEU 32 1HD2 LEU 32 7.194 1.233 -3.045
297 HD23 LEU 32 2HD2 LEU 32 6.984 2.980 -2.920
298 H GLU 33 H GLU 33 4.400 6.052 -2.580
299 HA GLU 33 HA GLU 33 2.796 7.259 -0.446
300 HB2 GLU 33 2HB GLU 33 3.663 8.304 -3.138
301 HB3 GLU 33 1HB GLU 33 2.461 9.113 -2.142
302 HG2 GLU 33 2HG GLU 33 4.104 9.316 -0.341
303 HG3 GLU 33 1HG GLU 33 5.309 8.544 -1.371
304 H PHE 34 H PHE 34 0.698 6.976 -0.363
305 HA PHE 34 HA PHE 34 -0.661 5.953 -2.758
306 HD1 PHE 34 HD1 PHE 34 0.810 4.455 0.631
307 HD2 PHE 34 HD2 PHE 34 -3.055 6.212 0.901
308 HE1 PHE 34 HE1 PHE 34 1.101 4.713 3.058
309 HE2 PHE 34 HE2 PHE 34 -2.767 6.475 3.329
310 HZ PHE 34 HZ PHE 34 -0.688 5.728 4.411
311 HB2 PHE 34 2HB PHE 34 -2.376 5.059 -1.074
312 HB3 PHE 34 1HB PHE 34 -0.833 4.225 -1.168
313 H GLU 35 H GLU 35 -2.516 6.911 -3.426
314 HA GLU 35 HA GLU 35 -3.455 9.253 -1.946
315 HB2 GLU 35 2HB GLU 35 -1.676 9.993 -3.521
316 HB3 GLU 35 1HB GLU 35 -2.621 9.343 -4.852
317 HG2 GLU 35 2HG GLU 35 -4.428 10.903 -4.316
318 HG3 GLU 35 1HG GLU 35 -3.452 11.567 -3.006
319 H LYS 36 H LYS 36 -5.596 9.452 -2.013
320 HA LYS 36 HA LYS 36 -7.785 9.176 -2.544
321 HB2 LYS 36 2HB LYS 36 -6.674 8.631 -5.303
322 HB3 LYS 36 1HB LYS 36 -8.377 8.880 -4.942
323 HG2 LYS 36 2HG LYS 36 -7.965 11.138 -4.260
324 HG3 LYS 36 1HG LYS 36 -6.221 10.909 -4.393
325 HD2 LYS 36 2HD LYS 36 -6.452 10.547 -6.798
326 HD3 LYS 36 1HD LYS 36 -8.199 10.762 -6.667
327 HE2 LYS 36 2HE LYS 36 -7.091 12.797 -7.468
328 HE3 LYS 36 1HE LYS 36 -7.883 13.050 -5.915
329 HZ1 LYS 36 3HZ LYS 36 -5.640 14.041 -6.071
330 HZ2 LYS 36 1HZ LYS 36 -4.980 12.487 -6.225
331 HZ3 LYS 36 2HZ LYS 36 -5.794 12.933 -4.802
332 H GLY 37 H GLY 37 -6.062 6.891 -1.714
333 HA2 GLY 37 2HA GLY 37 -6.573 4.714 -1.115
334 HA3 GLY 37 1HA GLY 37 -8.036 4.818 -2.081
335 H ARG 38 H ARG 38 -5.198 5.766 -3.664
336 HA ARG 38 HA ARG 38 -4.908 3.113 -4.923
337 HE ARG 38 HE ARG 38 -5.044 4.821 -9.254
338 HB2 ARG 38 2HB ARG 38 -4.493 5.873 -6.095
339 HB3 ARG 38 1HB ARG 38 -4.055 4.378 -6.908
340 HG2 ARG 38 2HG ARG 38 -6.293 3.744 -7.189
341 HG3 ARG 38 1HG ARG 38 -6.859 4.917 -5.995
342 HD2 ARG 38 2HD ARG 38 -7.294 5.561 -8.371
343 HD3 ARG 38 1HD ARG 38 -6.370 6.741 -7.444
344 HH11 ARG 38 1HH1 ARG 38 -5.611 8.090 -8.129
345 HH12 ARG 38 2HH1 ARG 38 -4.409 8.790 -9.161
346 HH21 ARG 38 1HH2 ARG 38 -3.457 5.736 -10.604
347 HH22 ARG 38 2HH2 ARG 38 -3.195 7.460 -10.581
348 H PHE 39 H PHE 39 -2.897 2.327 -5.198
349 HA PHE 39 HA PHE 39 -0.968 3.498 -3.348
350 HD1 PHE 39 HD1 PHE 39 1.723 1.228 -3.302
351 HD2 PHE 39 HD2 PHE 39 -2.060 1.216 -1.354
352 HE1 PHE 39 HE1 PHE 39 2.847 0.955 -1.129
353 HE2 PHE 39 HE2 PHE 39 -0.945 0.945 0.821
354 HZ PHE 39 HZ PHE 39 1.512 0.814 0.936
355 HB2 PHE 39 2HB PHE 39 -1.913 0.953 -3.733
356 HB3 PHE 39 1HB PHE 39 -0.353 0.898 -4.556
357 H LEU 40 H LEU 40 -1.644 3.800 -6.469
358 HA LEU 40 HA LEU 40 -0.559 4.537 -8.312
359 HG LEU 40 HG LEU 40 -0.485 6.338 -5.685
360 HB2 LEU 40 2HB LEU 40 1.606 5.234 -6.323
361 HB3 LEU 40 1HB LEU 40 1.464 5.881 -7.945
362 HD11 LEU 40 1HD1 LEU 40 1.603 7.539 -5.377
363 HD12 LEU 40 2HD1 LEU 40 0.300 8.652 -5.791
364 HD13 LEU 40 3HD1 LEU 40 1.487 8.192 -7.011
365 HD21 LEU 40 3HD2 LEU 40 -1.635 6.270 -7.823
366 HD22 LEU 40 1HD2 LEU 40 -0.472 7.410 -8.504
367 HD23 LEU 40 2HD2 LEU 40 -1.561 7.925 -7.215
368 H LEU 41 H LEU 41 2.326 4.561 -8.742
369 HA LEU 41 HA LEU 41 3.287 1.905 -8.384
370 HG LEU 41 HG LEU 41 1.510 3.722 -11.007
371 HB2 LEU 41 2HB LEU 41 3.665 1.630 -10.902
372 HB3 LEU 41 1HB LEU 41 2.061 1.304 -10.279
373 HD11 LEU 41 1HD1 LEU 41 2.811 4.551 -12.893
374 HD12 LEU 41 2HD1 LEU 41 3.965 3.236 -12.679
375 HD13 LEU 41 3HD1 LEU 41 3.787 4.464 -11.426
376 HD21 LEU 41 3HD2 LEU 41 0.602 1.722 -12.062
377 HD22 LEU 41 1HD2 LEU 41 2.047 1.587 -13.064
378 HD23 LEU 41 2HD2 LEU 41 0.962 2.963 -13.259
379 HA PRO 42 HA PRO 42 7.040 4.191 -8.400
380 HB2 PRO 42 2HB PRO 42 8.554 1.841 -9.168
381 HB3 PRO 42 1HB PRO 42 8.430 2.610 -7.587
382 HG2 PRO 42 2HG PRO 42 7.377 0.155 -8.173
383 HG3 PRO 42 1HG PRO 42 6.765 1.217 -6.895
384 HD2 PRO 42 2HD PRO 42 5.671 0.730 -9.628
385 HD3 PRO 42 1HD PRO 42 4.818 1.007 -8.103
386 H ARG 43 H ARG 43 5.639 4.307 -10.905
387 HA ARG 43 HA ARG 43 5.886 4.819 -13.097
388 HE ARG 43 HE ARG 43 8.381 8.670 -14.009
389 HB2 ARG 43 2HB ARG 43 8.837 5.027 -12.469
390 HB3 ARG 43 1HB ARG 43 8.033 5.671 -13.890
391 HG2 ARG 43 2HG ARG 43 6.805 7.246 -12.536
392 HG3 ARG 43 1HG ARG 43 7.475 6.544 -11.062
393 HD2 ARG 43 2HD ARG 43 8.689 8.551 -11.584
394 HD3 ARG 43 1HD ARG 43 9.741 7.165 -11.856
395 HH11 ARG 43 1HH1 ARG 43 11.037 6.719 -12.834
396 HH12 ARG 43 2HH1 ARG 43 12.002 6.922 -14.265
397 HH21 ARG 43 1HH2 ARG 43 9.641 8.959 -15.893
398 HH22 ARG 43 2HH2 ARG 43 11.198 8.196 -16.018
399 H LYS 44 H LYS 44 9.031 3.276 -12.792
400 HA LYS 44 HA LYS 44 8.088 0.732 -13.699
401 HB2 LYS 44 2HB LYS 44 9.522 0.650 -15.718
402 HB3 LYS 44 1HB LYS 44 8.216 1.815 -15.860
403 HG2 LYS 44 2HG LYS 44 9.904 3.582 -15.195
404 HG3 LYS 44 1HG LYS 44 11.143 2.348 -15.440
405 HD2 LYS 44 2HD LYS 44 9.187 3.396 -17.486
406 HD3 LYS 44 1HD LYS 44 10.932 3.655 -17.453
407 HE2 LYS 44 2HE LYS 44 11.338 1.316 -17.858
408 HE3 LYS 44 1HE LYS 44 9.619 0.956 -17.718
409 HZ1 LYS 44 3HZ LYS 44 10.142 1.030 -20.011
410 HZ2 LYS 44 1HZ LYS 44 10.970 2.504 -19.859
411 HZ3 LYS 44 2HZ LYS 44 9.288 2.455 -19.672
412 H SER 45 H SER 45 9.387 -0.839 -12.915
413 HA SER 45 HA SER 45 12.028 -0.196 -11.922
414 HG SER 45 HG SER 45 8.811 -0.453 -10.777
415 HB2 SER 45 2HB SER 45 11.327 -0.766 -9.539
416 HB3 SER 45 1HB SER 45 10.798 0.803 -10.148
417 H LEU 46 H LEU 46 12.261 -2.194 -10.024
418 HA LEU 46 HA LEU 46 12.595 -4.490 -11.645
419 HG LEU 46 HG LEU 46 14.896 -4.156 -10.791
420 HB2 LEU 46 2HB LEU 46 12.781 -4.128 -8.654
421 HB3 LEU 46 1HB LEU 46 13.213 -5.606 -9.489
422 HD11 LEU 46 1HD1 LEU 46 15.711 -2.190 -9.581
423 HD12 LEU 46 2HD1 LEU 46 14.373 -2.340 -8.443
424 HD13 LEU 46 3HD1 LEU 46 14.053 -1.974 -10.137
425 HD21 LEU 46 3HD2 LEU 46 15.278 -4.669 -7.849
426 HD22 LEU 46 1HD2 LEU 46 16.563 -4.418 -9.030
427 HD23 LEU 46 2HD2 LEU 46 15.519 -5.835 -9.150
428 HA PRO 47 HA PRO 47 8.667 -6.517 -11.309
429 HB2 PRO 47 2HB PRO 47 9.622 -9.126 -11.124
430 HB3 PRO 47 1HB PRO 47 9.308 -8.254 -12.627
431 HG2 PRO 47 2HG PRO 47 11.883 -8.716 -11.206
432 HG3 PRO 47 1HG PRO 47 11.552 -8.640 -12.946
433 HD2 PRO 47 2HD PRO 47 12.718 -6.607 -11.620
434 HD3 PRO 47 1HD PRO 47 11.620 -6.333 -12.987
435 H LYS 48 H LYS 48 11.283 -7.277 -9.094
436 HA LYS 48 HA LYS 48 9.977 -8.598 -7.055
437 HB2 LYS 48 2HB LYS 48 12.382 -8.180 -7.082
438 HB3 LYS 48 1HB LYS 48 12.106 -6.460 -6.868
439 HG2 LYS 48 2HG LYS 48 11.002 -7.059 -4.668
440 HG3 LYS 48 1HG LYS 48 11.686 -8.673 -4.889
441 HD2 LYS 48 2HD LYS 48 13.931 -7.648 -5.100
442 HD3 LYS 48 1HD LYS 48 13.212 -6.074 -4.763
443 HE2 LYS 48 2HE LYS 48 12.391 -7.002 -2.594
444 HE3 LYS 48 1HE LYS 48 13.325 -8.461 -2.928
445 HZ1 LYS 48 3HZ LYS 48 14.342 -5.713 -2.495
446 HZ2 LYS 48 1HZ LYS 48 15.303 -6.960 -3.123
447 HZ3 LYS 48 2HZ LYS 48 14.652 -7.097 -1.567
448 H VAL 49 H VAL 49 10.202 -5.109 -7.607
449 HA VAL 49 HA VAL 49 8.534 -4.552 -5.300
450 HB VAL 49 HB VAL 49 9.770 -2.670 -7.320
451 HG11 VAL 49 1HG1 VAL 49 8.368 -2.091 -4.711
452 HG12 VAL 49 2HG1 VAL 49 7.797 -1.665 -6.325
453 HG13 VAL 49 3HG1 VAL 49 9.249 -0.905 -5.674
454 HG21 VAL 49 3HG2 VAL 49 10.596 -3.354 -4.500
455 HG22 VAL 49 1HG2 VAL 49 11.350 -2.135 -5.529
456 HG23 VAL 49 2HG2 VAL 49 11.433 -3.841 -5.975
457 H LYS 50 H LYS 50 8.363 -4.258 -8.838
458 HA LYS 50 HA LYS 50 5.929 -2.875 -8.954
459 HB2 LYS 50 2HB LYS 50 7.501 -3.221 -10.870
460 HB3 LYS 50 1HB LYS 50 6.927 -4.882 -10.979
461 HG2 LYS 50 2HG LYS 50 4.611 -3.946 -11.280
462 HG3 LYS 50 1HG LYS 50 5.361 -2.359 -11.437
463 HD2 LYS 50 2HD LYS 50 4.978 -3.239 -13.635
464 HD3 LYS 50 1HD LYS 50 6.716 -3.259 -13.322
465 HE2 LYS 50 2HE LYS 50 6.625 -5.625 -12.804
466 HE3 LYS 50 1HE LYS 50 4.874 -5.628 -13.004
467 HZ1 LYS 50 3HZ LYS 50 5.184 -5.036 -15.330
468 HZ2 LYS 50 1HZ LYS 50 5.966 -6.493 -14.958
469 HZ3 LYS 50 2HZ LYS 50 6.870 -5.074 -15.133
470 H GLN 51 H GLN 51 6.588 -6.356 -8.854
471 HA GLN 51 HA GLN 51 3.966 -7.250 -9.326
472 HB2 GLN 51 2HB GLN 51 6.070 -8.644 -9.319
473 HB3 GLN 51 1HB GLN 51 6.014 -8.601 -7.563
474 HG2 GLN 51 2HG GLN 51 3.834 -9.707 -7.614
475 HG3 GLN 51 1HG GLN 51 3.915 -9.770 -9.374
476 HE21 GLN 51 1HE2 GLN 51 6.833 -10.267 -9.271
477 HE22 GLN 51 2HE2 GLN 51 6.995 -11.930 -8.835
478 H ALA 52 H ALA 52 5.649 -6.341 -6.368
479 HA ALA 52 HA ALA 52 3.592 -7.059 -4.566
480 HB1 ALA 52 3HB ALA 52 5.791 -5.018 -4.259
481 HB2 ALA 52 1HB ALA 52 5.898 -6.728 -3.843
482 HB3 ALA 52 2HB ALA 52 4.803 -5.670 -2.952
483 H ILE 53 H ILE 53 4.436 -4.042 -6.206
484 HA ILE 53 HA ILE 53 2.505 -2.399 -4.988
485 HB ILE 53 HB ILE 53 3.771 -2.170 -7.720
486 HG12 ILE 53 2HG1 ILE 53 5.395 -2.129 -5.905
487 HG13 ILE 53 1HG1 ILE 53 5.245 -0.530 -6.621
488 HG21 ILE 53 1HG2 ILE 53 3.128 0.192 -7.643
489 HG22 ILE 53 2HG2 ILE 53 2.250 -0.103 -6.143
490 HG23 ILE 53 3HG2 ILE 53 1.722 -0.873 -7.640
491 HD11 ILE 53 3HD1 ILE 53 5.394 -0.363 -4.226
492 HD12 ILE 53 1HD1 ILE 53 4.021 -1.451 -4.034
493 HD13 ILE 53 2HD1 ILE 53 3.790 0.138 -4.758
494 H LEU 54 H LEU 54 2.412 -4.248 -8.025
495 HA LEU 54 HA LEU 54 -0.214 -3.523 -8.754
496 HG LEU 54 HG LEU 54 -0.045 -3.902 -11.250
497 HB2 LEU 54 2HB LEU 54 1.690 -5.667 -9.520
498 HB3 LEU 54 1HB LEU 54 0.003 -5.928 -9.911
499 HD11 LEU 54 1HD1 LEU 54 2.865 -3.591 -10.529
500 HD12 LEU 54 2HD1 LEU 54 1.544 -2.558 -9.984
501 HD13 LEU 54 3HD1 LEU 54 1.970 -2.613 -11.694
502 HD21 LEU 54 3HD2 LEU 54 1.475 -4.601 -13.035
503 HD22 LEU 54 1HD2 LEU 54 0.617 -5.969 -12.329
504 HD23 LEU 54 2HD2 LEU 54 2.303 -5.672 -11.906
505 H GLU 55 H GLU 55 1.065 -6.186 -6.826
506 HA GLU 55 HA GLU 55 -1.313 -7.580 -6.362
507 HB2 GLU 55 2HB GLU 55 0.963 -8.381 -5.763
508 HB3 GLU 55 1HB GLU 55 1.013 -7.197 -4.467
509 HG2 GLU 55 2HG GLU 55 0.476 -9.309 -3.521
510 HG3 GLU 55 1HG GLU 55 -0.971 -8.302 -3.462
511 H LEU 56 H LEU 56 0.198 -4.926 -4.558
512 HA LEU 56 HA LEU 56 -1.717 -4.779 -2.509
513 HG LEU 56 HG LEU 56 1.323 -4.547 -2.489
514 HB2 LEU 56 2HB LEU 56 0.158 -2.693 -3.607
515 HB3 LEU 56 1HB LEU 56 -0.831 -2.452 -2.182
516 HD11 LEU 56 1HD1 LEU 56 2.215 -2.283 -2.303
517 HD12 LEU 56 2HD1 LEU 56 2.540 -3.224 -0.844
518 HD13 LEU 56 3HD1 LEU 56 1.249 -2.020 -0.849
519 HD21 LEU 56 3HD2 LEU 56 -0.378 -3.819 -0.108
520 HD22 LEU 56 1HD2 LEU 56 0.948 -4.979 -0.116
521 HD23 LEU 56 2HD2 LEU 56 -0.508 -5.298 -1.056
522 H ASN 57 H ASN 57 -1.495 -3.025 -5.597
523 HA ASN 57 HA ASN 57 -3.708 -1.330 -5.091
524 HB2 ASN 57 2HB ASN 57 -2.269 -2.147 -7.595
525 HB3 ASN 57 1HB ASN 57 -3.766 -1.227 -7.700
526 HD21 ASN 57 1HD2 ASN 57 -0.429 -1.181 -6.803
527 HD22 ASN 57 2HD2 ASN 57 -0.300 0.533 -6.584
528 H GLU 58 H GLU 58 -3.391 -4.463 -6.655
529 HA GLU 58 HA GLU 58 -6.073 -4.775 -7.474
530 HB2 GLU 58 2HB GLU 58 -3.865 -6.150 -7.950
531 HB3 GLU 58 1HB GLU 58 -4.389 -7.080 -6.561
532 HG2 GLU 58 2HG GLU 58 -6.088 -6.624 -9.002
533 HG3 GLU 58 1HG GLU 58 -5.032 -8.015 -8.791
534 H LEU 59 H LEU 59 -4.345 -5.614 -4.502
535 HA LEU 59 HA LEU 59 -6.495 -6.846 -3.162
536 HG LEU 59 HG LEU 59 -5.840 -5.893 -0.285
537 HB2 LEU 59 2HB LEU 59 -4.133 -7.053 -2.489
538 HB3 LEU 59 1HB LEU 59 -4.132 -5.368 -2.003
539 HD11 LEU 59 1HD1 LEU 59 -6.853 -7.831 -1.353
540 HD12 LEU 59 2HD1 LEU 59 -6.295 -8.228 0.273
541 HD13 LEU 59 3HD1 LEU 59 -5.362 -8.746 -1.131
542 HD21 LEU 59 3HD2 LEU 59 -3.335 -7.562 -0.137
543 HD22 LEU 59 1HD2 LEU 59 -4.333 -7.070 1.230
544 HD23 LEU 59 2HD2 LEU 59 -3.468 -5.856 0.289
545 H ILE 60 H ILE 60 -5.505 -3.474 -3.455
546 HA ILE 60 HA ILE 60 -7.151 -2.376 -1.466
547 HB ILE 60 HB ILE 60 -6.302 -1.129 -4.091
548 HG12 ILE 60 2HG1 ILE 60 -5.179 -0.783 -1.300
549 HG13 ILE 60 1HG1 ILE 60 -4.449 -1.779 -2.554
550 HG21 ILE 60 1HG2 ILE 60 -8.289 -0.044 -3.160
551 HG22 ILE 60 2HG2 ILE 60 -6.877 1.010 -3.070
552 HG23 ILE 60 3HG2 ILE 60 -7.450 0.175 -1.624
553 HD11 ILE 60 3HD1 ILE 60 -4.071 0.175 -3.923
554 HD12 ILE 60 1HD1 ILE 60 -3.362 0.400 -2.322
555 HD13 ILE 60 2HD1 ILE 60 -4.885 1.193 -2.731
556 H GLU 61 H GLU 61 -7.761 -2.687 -4.958
557 HA GLU 61 HA GLU 61 -10.443 -1.792 -4.774
558 HB2 GLU 61 2HB GLU 61 -10.617 -2.702 -7.106
559 HB3 GLU 61 1HB GLU 61 -9.342 -1.520 -6.851
560 HG2 GLU 61 2HG GLU 61 -7.755 -3.450 -6.602
561 HG3 GLU 61 1HG GLU 61 -9.068 -4.494 -7.141
562 H ALA 62 H ALA 62 -8.979 -4.756 -4.088
563 HA ALA 62 HA ALA 62 -11.359 -6.348 -4.339
564 HB1 ALA 62 3HB ALA 62 -9.137 -7.361 -4.508
565 HB2 ALA 62 1HB ALA 62 -10.081 -8.081 -3.205
566 HB3 ALA 62 2HB ALA 62 -8.812 -6.916 -2.833
567 H GLN 63 H GLN 63 -9.614 -4.762 -1.675
568 HA GLN 63 HA GLN 63 -11.474 -5.742 0.288
569 HB2 GLN 63 2HB GLN 63 -9.115 -3.888 0.437
570 HB3 GLN 63 1HB GLN 63 -10.183 -4.131 1.814
571 HG2 GLN 63 2HG GLN 63 -9.756 -6.602 1.533
572 HG3 GLN 63 1HG GLN 63 -8.464 -6.158 0.424
573 HE21 GLN 63 1HE2 GLN 63 -6.605 -5.232 1.221
574 HE22 GLN 63 2HE2 GLN 63 -6.227 -5.200 2.906
575 H ASN 64 H ASN 64 -11.138 -2.798 -1.569
576 HA ASN 64 HA ASN 64 -13.145 -1.449 0.028
577 HB2 ASN 64 2HB ASN 64 -12.977 0.404 -1.532
578 HB3 ASN 64 1HB ASN 64 -11.368 -0.118 -1.058
579 HD21 ASN 64 1HD2 ASN 64 -10.479 0.879 -2.868
580 HD22 ASN 64 2HD2 ASN 64 -10.629 0.196 -4.450
581 H HIS 65 H HIS 65 -13.265 -3.890 -2.092
582 HA HIS 65 HA HIS 65 -15.669 -3.098 -3.514
583 HD1 HIS 65 HD1 HIS 65 -16.089 -4.027 -6.318
584 HD2 HIS 65 HD2 HIS 65 -15.989 -7.550 -4.108
585 HE1 HIS 65 HE1 HIS 65 -17.740 -5.571 -7.419
586 HE2 HIS 65 HE2 HIS 65 -17.474 -7.768 -6.210
587 HB2 HIS 65 2HB HIS 65 -13.952 -4.376 -4.716
588 HB3 HIS 65 1HB HIS 65 -14.084 -5.680 -3.547
589 H GLN 66 H GLN 66 -16.566 -2.820 -1.249
590 HA GLN 66 HA GLN 66 -17.403 -5.125 0.180
591 HB2 GLN 66 2HB GLN 66 -18.531 -2.315 0.180
592 HB3 GLN 66 1HB GLN 66 -18.942 -3.567 1.346
593 HG2 GLN 66 2HG GLN 66 -16.602 -3.648 2.068
594 HG3 GLN 66 1HG GLN 66 -16.210 -2.374 0.919
595 HE21 GLN 66 1HE2 GLN 66 -17.743 -3.149 3.936
596 HE22 GLN 66 2HE2 GLN 66 -17.943 -1.513 4.484
597 H THR 67 H THR 67 -18.745 -6.586 -0.551
598 HA THR 67 HA THR 67 -20.011 -6.434 -3.014
599 HB THR 67 HB THR 67 -20.777 -8.328 -0.792
600 HG1 THR 67 HG1 THR 67 -18.493 -8.196 -2.463
601 HG21 THR 67 3HG2 THR 67 -21.150 -9.892 -2.653
602 HG22 THR 67 1HG2 THR 67 -20.741 -8.615 -3.800
603 HG23 THR 67 2HG2 THR 67 -22.179 -8.466 -2.788
604 H LYS 68 H LYS 68 -21.266 -5.670 0.183
605 HA LYS 68 HA LYS 68 -24.009 -5.671 -0.749
606 HB2 LYS 68 2HB LYS 68 -23.314 -6.424 1.548
607 HB3 LYS 68 1HB LYS 68 -22.939 -4.751 1.925
608 HG2 LYS 68 2HG LYS 68 -25.130 -5.467 2.775
609 HG3 LYS 68 1HG LYS 68 -25.244 -4.121 1.638
610 HD2 LYS 68 2HD LYS 68 -25.855 -5.684 -0.148
611 HD3 LYS 68 1HD LYS 68 -25.744 -7.028 0.993
612 HE2 LYS 68 2HE LYS 68 -28.062 -6.291 0.631
613 HE3 LYS 68 1HE LYS 68 -27.551 -6.112 2.308
614 HZ1 LYS 68 3HZ LYS 68 -27.832 -3.964 0.271
615 HZ2 LYS 68 1HZ LYS 68 -27.082 -3.732 1.774
616 HZ3 LYS 68 2HZ LYS 68 -28.717 -4.156 1.706
617 H THR 69 H THR 69 -21.630 -3.616 -1.373
618 HA THR 69 HA THR 69 -23.517 -1.402 -1.647
619 HB THR 69 HB THR 69 -20.720 -0.987 -0.574
620 HG1 THR 69 HG1 THR 69 -23.199 -1.381 0.663
621 HG21 THR 69 3HG2 THR 69 -21.519 0.890 -1.895
622 HG22 THR 69 1HG2 THR 69 -21.528 1.318 -0.183
623 HG23 THR 69 2HG2 THR 69 -23.038 0.903 -0.997
624 H ALA 70 H ALA 70 -23.665 -1.326 -3.791
625 HA ALA 70 HA ALA 70 -21.339 -1.805 -5.473
626 HB1 ALA 70 3HB ALA 70 -22.911 -1.667 -7.331
627 HB2 ALA 70 1HB ALA 70 -24.188 -1.167 -6.223
628 HB3 ALA 70 2HB ALA 70 -23.489 -2.782 -6.093
629 H LEU 71 H LEU 71 -22.406 0.758 -3.816
630 HA LEU 71 HA LEU 71 -21.960 2.976 -3.822
631 HG LEU 71 HG LEU 71 -20.336 4.803 -5.592
632 HB2 LEU 71 2HB LEU 71 -19.687 2.084 -4.439
633 HB3 LEU 71 1HB LEU 71 -20.090 2.392 -6.117
634 HD11 LEU 71 1HD1 LEU 71 -19.297 3.998 -2.876
635 HD12 LEU 71 2HD1 LEU 71 -20.921 4.593 -3.230
636 HD13 LEU 71 3HD1 LEU 71 -19.524 5.649 -3.451
637 HD21 LEU 71 3HD2 LEU 71 -17.947 5.257 -5.306
638 HD22 LEU 71 1HD2 LEU 71 -18.227 3.949 -6.455
639 HD23 LEU 71 2HD2 LEU 71 -17.691 3.582 -4.818
640 H GLU 72 H GLU 72 -24.207 2.108 -5.267
641 HA GLU 72 HA GLU 72 -24.508 3.396 -7.753
642 HB2 GLU 72 2HB GLU 72 -26.128 1.757 -6.914
643 HB3 GLU 72 1HB GLU 72 -26.572 2.847 -5.610
644 HG2 GLU 72 2HG GLU 72 -27.391 4.464 -7.281
645 HG3 GLU 72 1HG GLU 72 -27.017 3.302 -8.553
646 H HIS 73 H HIS 73 -24.934 4.492 -4.436
647 HA HIS 73 HA HIS 73 -25.209 7.248 -5.403
648 HD1 HIS 73 HD1 HIS 73 -27.886 8.769 -3.519
649 HD2 HIS 73 HD2 HIS 73 -27.796 4.703 -4.390
650 HE1 HIS 73 HE1 HIS 73 -30.203 8.192 -4.304
651 HE2 HIS 73 HE2 HIS 73 -30.063 5.782 -5.034
652 HB2 HIS 73 2HB HIS 73 -25.737 6.008 -2.692
653 HB3 HIS 73 1HB HIS 73 -25.705 7.749 -2.957
654 H HIS 74 H HIS 74 -23.453 8.463 -5.445
655 HA HIS 74 HA HIS 74 -20.990 7.372 -4.415
656 HD1 HIS 74 HD1 HIS 74 -18.720 9.171 -7.468
657 HD2 HIS 74 HD2 HIS 74 -21.726 6.361 -6.884
658 HE1 HIS 74 HE1 HIS 74 -18.221 7.302 -9.071
659 HE2 HIS 74 HE2 HIS 74 -19.915 5.520 -8.531
660 HB2 HIS 74 2HB HIS 74 -21.711 9.629 -6.222
661 HB3 HIS 74 1HB HIS 74 -20.134 9.652 -5.437
Start of MODEL 10
1 HA MET 1 HA MET 1 2.236 9.096 6.646
2 H1 MET 1 1H MET 1 1.651 11.115 7.811
3 H2 MET 1 2H MET 1 1.706 10.306 9.301
4 H3 MET 1 3H MET 1 0.525 9.893 8.162
5 HB2 MET 1 2HB MET 1 4.069 9.659 8.990
6 HB3 MET 1 1HB MET 1 4.526 8.792 7.535
7 HG2 MET 1 2HG MET 1 4.180 10.790 6.205
8 HG3 MET 1 1HG MET 1 3.654 11.669 7.643
9 HE1 MET 1 3HE MET 1 5.459 13.564 7.084
10 HE2 MET 1 1HE MET 1 5.982 12.652 5.669
11 HE3 MET 1 2HE MET 1 7.173 13.231 6.834
12 H ARG 2 H ARG 2 3.211 6.885 6.909
13 HA ARG 2 HA ARG 2 2.717 5.580 9.453
14 HE ARG 2 HE ARG 2 0.093 1.903 10.640
15 HB2 ARG 2 2HB ARG 2 0.556 5.421 8.182
16 HB3 ARG 2 1HB ARG 2 1.410 4.512 6.943
17 HG2 ARG 2 2HG ARG 2 0.171 3.057 8.473
18 HG3 ARG 2 1HG ARG 2 1.909 2.753 8.532
19 HD2 ARG 2 2HD ARG 2 2.098 4.044 10.571
20 HD3 ARG 2 1HD ARG 2 0.394 4.477 10.490
21 HH11 ARG 2 1HH1 ARG 2 2.577 3.774 12.260
22 HH12 ARG 2 2HH1 ARG 2 2.635 2.726 13.647
23 HH21 ARG 2 1HH2 ARG 2 0.186 0.511 12.477
24 HH22 ARG 2 2HH2 ARG 2 1.290 0.890 13.767
25 H VAL 3 H VAL 3 4.239 4.081 9.846
26 HA VAL 3 HA VAL 3 5.865 3.151 7.560
27 HB VAL 3 HB VAL 3 6.794 3.542 10.411
28 HG11 VAL 3 1HG1 VAL 3 8.318 2.830 7.910
29 HG12 VAL 3 2HG1 VAL 3 7.992 1.763 9.275
30 HG13 VAL 3 3HG1 VAL 3 9.038 3.169 9.484
31 HG21 VAL 3 3HG2 VAL 3 8.100 5.429 9.536
32 HG22 VAL 3 1HG2 VAL 3 6.364 5.687 9.363
33 HG23 VAL 3 2HG2 VAL 3 7.329 5.219 7.964
34 H PHE 4 H PHE 4 5.789 1.037 7.200
35 HA PHE 4 HA PHE 4 4.874 -0.735 9.372
36 HD1 PHE 4 HD1 PHE 4 2.685 -2.513 9.110
37 HD2 PHE 4 HD2 PHE 4 2.763 0.631 6.248
38 HE1 PHE 4 HE1 PHE 4 0.310 -2.059 9.559
39 HE2 PHE 4 HE2 PHE 4 0.385 1.096 6.689
40 HZ PHE 4 HZ PHE 4 -0.844 -0.248 8.347
41 HB2 PHE 4 2HB PHE 4 4.560 -0.878 6.388
42 HB3 PHE 4 1HB PHE 4 4.459 -2.336 7.368
43 HA PRO 5 HA PRO 5 9.099 -2.352 9.087
44 HB2 PRO 5 2HB PRO 5 8.311 -3.805 11.498
45 HB3 PRO 5 1HB PRO 5 9.593 -2.611 11.286
46 HG2 PRO 5 2HG PRO 5 7.354 -2.107 12.720
47 HG3 PRO 5 1HG PRO 5 8.223 -0.847 11.825
48 HD2 PRO 5 2HD PRO 5 5.726 -2.325 11.082
49 HD3 PRO 5 1HD PRO 5 6.121 -0.603 10.882
50 H VAL 6 H VAL 6 6.001 -3.839 9.342
51 HA VAL 6 HA VAL 6 7.086 -6.339 8.243
52 HB VAL 6 HB VAL 6 6.179 -6.802 10.429
53 HG11 VAL 6 1HG1 VAL 6 3.840 -6.362 10.999
54 HG12 VAL 6 2HG1 VAL 6 3.634 -5.512 9.468
55 HG13 VAL 6 3HG1 VAL 6 4.734 -4.875 10.692
56 HG21 VAL 6 3HG2 VAL 6 4.261 -7.712 8.287
57 HG22 VAL 6 1HG2 VAL 6 4.471 -8.461 9.870
58 HG23 VAL 6 2HG2 VAL 6 5.792 -8.482 8.702
59 H TYR 7 H TYR 7 6.410 -6.879 6.284
60 HA TYR 7 HA TYR 7 4.461 -5.262 4.913
61 HD1 TYR 7 HD1 TYR 7 3.878 -8.504 2.641
62 HD2 TYR 7 HD2 TYR 7 5.661 -4.676 2.141
63 HE1 TYR 7 HE1 TYR 7 2.706 -8.249 0.496
64 HE2 TYR 7 HE2 TYR 7 4.493 -4.408 -0.004
65 HH TYR 7 HH TYR 7 1.970 -6.466 -0.993
66 HB2 TYR 7 2HB TYR 7 6.502 -6.216 3.799
67 HB3 TYR 7 1HB TYR 7 5.800 -7.817 3.988
68 H ALA 8 H ALA 8 2.438 -5.545 5.654
69 HA ALA 8 HA ALA 8 1.378 -8.294 5.701
70 HB1 ALA 8 3HB ALA 8 1.440 -7.295 7.930
71 HB2 ALA 8 1HB ALA 8 -0.221 -7.546 7.391
72 HB3 ALA 8 2HB ALA 8 0.485 -5.930 7.349
73 HA PRO 9 HA PRO 9 -0.456 -6.787 1.914
74 HB2 PRO 9 2HB PRO 9 -2.149 -9.186 2.480
75 HB3 PRO 9 1HB PRO 9 -1.369 -8.688 0.975
76 HG2 PRO 9 2HG PRO 9 -0.312 -10.619 2.453
77 HG3 PRO 9 1HG PRO 9 0.725 -9.415 1.663
78 HD2 PRO 9 2HD PRO 9 -0.031 -9.678 4.530
79 HD3 PRO 9 1HD PRO 9 1.475 -9.082 3.809
80 H LYS 10 H LYS 10 -2.851 -8.252 4.139
81 HA LYS 10 HA LYS 10 -4.919 -6.564 3.160
82 HB2 LYS 10 2HB LYS 10 -4.821 -8.357 5.588
83 HB3 LYS 10 1HB LYS 10 -6.266 -7.523 5.032
84 HG2 LYS 10 2HG LYS 10 -6.031 -8.734 2.860
85 HG3 LYS 10 1HG LYS 10 -4.733 -9.677 3.597
86 HD2 LYS 10 2HD LYS 10 -6.263 -10.483 5.308
87 HD3 LYS 10 1HD LYS 10 -7.557 -9.488 4.643
88 HE2 LYS 10 2HE LYS 10 -7.883 -11.731 3.894
89 HE3 LYS 10 1HE LYS 10 -7.361 -10.766 2.517
90 HZ1 LYS 10 3HZ LYS 10 -6.251 -12.919 2.609
91 HZ2 LYS 10 1HZ LYS 10 -5.606 -12.540 4.131
92 HZ3 LYS 10 2HZ LYS 10 -5.137 -11.652 2.769
93 H LEU 11 H LEU 11 -2.790 -6.438 5.947
94 HA LEU 11 HA LEU 11 -4.224 -4.451 7.357
95 HG LEU 11 HG LEU 11 -2.666 -7.038 8.238
96 HB2 LEU 11 2HB LEU 11 -1.306 -5.199 7.452
97 HB3 LEU 11 1HB LEU 11 -2.078 -4.098 8.579
98 HD11 LEU 11 1HD1 LEU 11 -1.886 -7.176 10.553
99 HD12 LEU 11 2HD1 LEU 11 -1.515 -5.451 10.528
100 HD13 LEU 11 3HD1 LEU 11 -0.632 -6.562 9.478
101 HD21 LEU 11 3HD2 LEU 11 -4.724 -5.772 8.648
102 HD22 LEU 11 1HD2 LEU 11 -3.983 -5.036 10.069
103 HD23 LEU 11 2HD2 LEU 11 -4.283 -6.773 10.029
104 H ILE 12 H ILE 12 -1.627 -4.262 4.964
105 HA ILE 12 HA ILE 12 -1.264 -1.460 5.114
106 HB ILE 12 HB ILE 12 -0.736 -3.353 2.816
107 HG12 ILE 12 2HG1 ILE 12 1.132 -2.107 4.849
108 HG13 ILE 12 1HG1 ILE 12 0.557 -3.771 4.893
109 HG21 ILE 12 1HG2 ILE 12 -1.009 -1.069 1.999
110 HG22 ILE 12 2HG2 ILE 12 0.675 -1.578 1.892
111 HG23 ILE 12 3HG2 ILE 12 0.164 -0.495 3.185
112 HD11 ILE 12 3HD1 ILE 12 2.252 -2.549 2.727
113 HD12 ILE 12 1HD1 ILE 12 1.690 -4.220 2.785
114 HD13 ILE 12 2HD1 ILE 12 2.812 -3.624 4.008
115 H VAL 13 H VAL 13 -3.200 -3.473 2.918
116 HA VAL 13 HA VAL 13 -4.310 -1.413 1.389
117 HB VAL 13 HB VAL 13 -5.433 -4.135 2.085
118 HG11 VAL 13 1HG1 VAL 13 -7.284 -2.724 1.440
119 HG12 VAL 13 2HG1 VAL 13 -6.911 -3.832 0.121
120 HG13 VAL 13 3HG1 VAL 13 -6.399 -2.147 0.030
121 HG21 VAL 13 3HG2 VAL 13 -4.014 -3.106 -0.373
122 HG22 VAL 13 1HG2 VAL 13 -4.682 -4.728 -0.174
123 HG23 VAL 13 2HG2 VAL 13 -3.341 -4.195 0.840
124 H LYS 14 H LYS 14 -5.490 -2.942 4.354
125 HA LYS 14 HA LYS 14 -7.952 -1.582 4.470
126 HB2 LYS 14 2HB LYS 14 -7.431 -3.646 5.727
127 HB3 LYS 14 1HB LYS 14 -6.320 -2.735 6.738
128 HG2 LYS 14 2HG LYS 14 -8.161 -1.388 7.579
129 HG3 LYS 14 1HG LYS 14 -9.287 -2.261 6.538
130 HD2 LYS 14 2HD LYS 14 -7.599 -3.526 8.693
131 HD3 LYS 14 1HD LYS 14 -9.292 -3.071 8.882
132 HE2 LYS 14 2HE LYS 14 -8.228 -5.042 6.858
133 HE3 LYS 14 1HE LYS 14 -9.003 -5.471 8.384
134 HZ1 LYS 14 3HZ LYS 14 -11.011 -4.355 7.620
135 HZ2 LYS 14 1HZ LYS 14 -10.565 -5.598 6.557
136 HZ3 LYS 14 2HZ LYS 14 -10.268 -3.984 6.144
137 H HIS 15 H HIS 15 -4.755 -0.779 5.756
138 HA HIS 15 HA HIS 15 -5.811 1.461 7.241
139 HD1 HIS 15 HD1 HIS 15 -3.591 -1.758 8.346
140 HD2 HIS 15 HD2 HIS 15 -4.818 1.801 10.105
141 HE1 HIS 15 HE1 HIS 15 -4.267 -2.359 10.698
142 HE2 HIS 15 HE2 HIS 15 -5.140 -0.213 11.694
143 HB2 HIS 15 2HB HIS 15 -3.080 0.270 6.927
144 HB3 HIS 15 1HB HIS 15 -3.294 1.850 7.668
145 H ALA 16 H ALA 16 -4.419 0.939 4.115
146 HA ALA 16 HA ALA 16 -3.491 3.532 3.573
147 HB1 ALA 16 3HB ALA 16 -3.068 1.617 2.095
148 HB2 ALA 16 1HB ALA 16 -3.766 2.978 1.215
149 HB3 ALA 16 2HB ALA 16 -4.773 1.595 1.643
150 H ARG 17 H ARG 17 -6.694 2.168 3.661
151 HA ARG 17 HA ARG 17 -8.131 4.221 2.392
152 HE ARG 17 HE ARG 17 -9.133 1.655 -0.350
153 HB2 ARG 17 2HB ARG 17 -8.869 2.205 4.507
154 HB3 ARG 17 1HB ARG 17 -10.038 3.343 3.853
155 HG2 ARG 17 2HG ARG 17 -8.451 1.423 2.168
156 HG3 ARG 17 1HG ARG 17 -10.079 1.105 2.778
157 HD2 ARG 17 2HD ARG 17 -10.981 2.928 1.565
158 HD3 ARG 17 1HD ARG 17 -9.379 3.531 1.151
159 HH11 ARG 17 1HH1 ARG 17 -12.363 2.141 0.922
160 HH12 ARG 17 2HH1 ARG 17 -13.150 1.386 -0.438
161 HH21 ARG 17 1HH2 ARG 17 -10.143 0.680 -2.122
162 HH22 ARG 17 2HH2 ARG 17 -11.877 0.549 -2.176
163 H ILE 18 H ILE 18 -6.576 4.100 5.423
164 HA ILE 18 HA ILE 18 -8.151 6.318 6.520
165 HB ILE 18 HB ILE 18 -5.989 4.719 7.891
166 HG12 ILE 18 2HG1 ILE 18 -8.964 4.206 8.036
167 HG13 ILE 18 1HG1 ILE 18 -7.884 3.308 6.972
168 HG21 ILE 18 1HG2 ILE 18 -7.070 5.483 9.931
169 HG22 ILE 18 2HG2 ILE 18 -8.281 6.346 8.982
170 HG23 ILE 18 3HG2 ILE 18 -6.593 6.854 8.928
171 HD11 ILE 18 3HD1 ILE 18 -8.333 2.082 9.021
172 HD12 ILE 18 1HD1 ILE 18 -7.704 3.424 9.975
173 HD13 ILE 18 2HD1 ILE 18 -6.628 2.522 8.909
174 H PHE 19 H PHE 19 -4.823 5.320 5.890
175 HA PHE 19 HA PHE 19 -3.781 7.965 6.483
176 HD1 PHE 19 HD2 PHE 19 -1.613 7.760 8.360
177 HD2 PHE 19 HD1 PHE 19 -3.231 3.958 7.344
178 HE1 PHE 19 HE2 PHE 19 -1.578 7.112 10.733
179 HE2 PHE 19 HE1 PHE 19 -3.192 3.306 9.715
180 HZ PHE 19 HZ PHE 19 -2.366 4.887 11.412
181 HB2 PHE 19 2HB PHE 19 -2.403 5.404 5.647
182 HB3 PHE 19 1HB PHE 19 -1.570 6.901 6.045
183 H LEU 20 H LEU 20 -5.399 6.966 4.008
184 HA LEU 20 HA LEU 20 -4.218 6.805 1.659
185 HG LEU 20 HG LEU 20 -6.979 8.328 3.580
186 HB2 LEU 20 2HB LEU 20 -6.182 8.034 0.681
187 HB3 LEU 20 1HB LEU 20 -6.525 6.672 1.726
188 HD11 LEU 20 1HD1 LEU 20 -7.515 10.629 2.918
189 HD12 LEU 20 2HD1 LEU 20 -6.885 10.301 1.303
190 HD13 LEU 20 3HD1 LEU 20 -5.805 10.259 2.696
191 HD21 LEU 20 3HD2 LEU 20 -8.691 8.493 1.106
192 HD22 LEU 20 1HD2 LEU 20 -9.204 8.895 2.744
193 HD23 LEU 20 2HD2 LEU 20 -8.766 7.235 2.341
194 H THR 21 H THR 21 -3.532 9.615 3.429
195 HA THR 21 HA THR 21 -2.560 10.810 0.939
196 HB THR 21 HB THR 21 -4.423 12.181 1.452
197 HG1 THR 21 HG1 THR 21 -2.902 13.593 0.869
198 HG21 THR 21 3HG2 THR 21 -4.733 13.297 3.618
199 HG22 THR 21 1HG2 THR 21 -3.339 12.428 4.257
200 HG23 THR 21 2HG2 THR 21 -4.784 11.541 3.774
201 H GLY 22 H GLY 22 -0.458 10.874 0.951
202 HA2 GLY 22 2HA GLY 22 1.377 12.167 2.148
203 HA3 GLY 22 1HA GLY 22 0.936 11.178 3.529
204 H VAL 23 H VAL 23 2.772 10.026 3.794
205 HA VAL 23 HA VAL 23 3.527 8.277 1.560
206 HB VAL 23 HB VAL 23 5.891 8.390 2.301
207 HG11 VAL 23 1HG1 VAL 23 6.375 10.607 1.367
208 HG12 VAL 23 2HG1 VAL 23 4.676 11.044 1.536
209 HG13 VAL 23 3HG1 VAL 23 5.148 9.756 0.428
210 HG21 VAL 23 3HG2 VAL 23 6.612 10.200 3.779
211 HG22 VAL 23 1HG2 VAL 23 5.522 9.089 4.611
212 HG23 VAL 23 2HG2 VAL 23 4.928 10.652 4.048
213 H ILE 24 H ILE 24 3.967 6.206 2.015
214 HA ILE 24 HA ILE 24 3.853 5.385 4.836
215 HB ILE 24 HB ILE 24 1.806 4.672 3.769
216 HG12 ILE 24 2HG1 ILE 24 3.705 2.335 4.057
217 HG13 ILE 24 1HG1 ILE 24 2.832 3.116 5.370
218 HG21 ILE 24 1HG2 ILE 24 3.530 3.325 1.701
219 HG22 ILE 24 2HG2 ILE 24 2.506 4.740 1.451
220 HG23 ILE 24 3HG2 ILE 24 1.777 3.180 1.833
221 HD11 ILE 24 3HD1 ILE 24 1.744 1.055 4.743
222 HD12 ILE 24 1HD1 ILE 24 1.617 1.604 3.072
223 HD13 ILE 24 2HD1 ILE 24 0.714 2.428 4.341
224 H TRP 25 H TRP 25 5.618 4.419 5.528
225 HA TRP 25 HA TRP 25 7.612 3.642 3.531
226 HD1 TRP 25 HD1 TRP 25 6.897 6.548 4.393
227 HE1 TRP 25 HE1 TRP 25 8.440 8.497 3.684
228 HE3 TRP 25 HE3 TRP 25 11.417 4.447 5.516
229 HZ2 TRP 25 HZ2 TRP 25 11.209 9.046 3.608
230 HZ3 TRP 25 HZ3 TRP 25 13.465 5.745 5.090
231 HH2 TRP 25 HH2 TRP 25 13.361 7.995 4.154
232 HB2 TRP 25 2HB TRP 25 7.840 4.439 6.419
233 HB3 TRP 25 1HB TRP 25 9.156 3.631 5.581
234 H VAL 26 H VAL 26 7.620 1.617 3.031
235 HA VAL 26 HA VAL 26 7.091 -0.390 5.116
236 HB VAL 26 HB VAL 26 7.615 -1.071 2.250
237 HG11 VAL 26 1HG1 VAL 26 6.222 -3.018 2.760
238 HG12 VAL 26 2HG1 VAL 26 6.003 -2.419 4.405
239 HG13 VAL 26 3HG1 VAL 26 7.608 -2.890 3.844
240 HG21 VAL 26 3HG2 VAL 26 4.946 -0.264 3.396
241 HG22 VAL 26 1HG2 VAL 26 5.191 -0.996 1.810
242 HG23 VAL 26 2HG2 VAL 26 5.856 0.599 2.158
243 H LYS 27 H LYS 27 8.641 -1.828 5.720
244 HA LYS 27 HA LYS 27 11.299 -0.854 5.639
245 HB2 LYS 27 2HB LYS 27 10.459 -2.032 7.587
246 HB3 LYS 27 1HB LYS 27 10.192 -3.484 6.638
247 HG2 LYS 27 2HG LYS 27 12.182 -3.694 8.001
248 HG3 LYS 27 1HG LYS 27 12.594 -3.714 6.289
249 HD2 LYS 27 2HD LYS 27 14.202 -2.344 7.409
250 HD3 LYS 27 1HD LYS 27 13.150 -1.282 6.473
251 HE2 LYS 27 2HE LYS 27 11.906 -0.703 8.466
252 HE3 LYS 27 1HE LYS 27 12.855 -1.843 9.423
253 HZ1 LYS 27 3HZ LYS 27 13.865 0.612 8.083
254 HZ2 LYS 27 1HZ LYS 27 14.842 -0.516 8.887
255 HZ3 LYS 27 2HZ LYS 27 13.686 0.376 9.750
256 H ASP 28 H ASP 28 9.603 -3.257 3.778
257 HA ASP 28 HA ASP 28 12.074 -4.390 2.739
258 HB2 ASP 28 2HB ASP 28 10.071 -5.802 3.357
259 HB3 ASP 28 1HB ASP 28 9.237 -5.106 1.971
260 H LEU 29 H LEU 29 9.877 -1.926 1.892
261 HA LEU 29 HA LEU 29 10.628 -2.121 -0.951
262 HG LEU 29 HG LEU 29 7.974 -3.316 0.279
263 HB2 LEU 29 2HB LEU 29 8.161 -0.867 0.247
264 HB3 LEU 29 1HB LEU 29 8.552 -0.916 -1.461
265 HD11 LEU 29 1HD1 LEU 29 5.939 -3.495 -1.091
266 HD12 LEU 29 2HD1 LEU 29 6.349 -1.966 -1.872
267 HD13 LEU 29 3HD1 LEU 29 5.984 -2.004 -0.147
268 HD21 LEU 29 3HD2 LEU 29 8.506 -3.116 -2.685
269 HD22 LEU 29 1HD2 LEU 29 8.016 -4.574 -1.820
270 HD23 LEU 29 2HD2 LEU 29 9.579 -3.832 -1.483
271 H GLY 30 H GLY 30 9.920 0.223 1.636
272 HA2 GLY 30 2HA GLY 30 11.574 2.079 1.831
273 HA3 GLY 30 1HA GLY 30 11.425 2.235 0.084
274 H ARG 31 H ARG 31 10.612 4.304 0.024
275 HA ARG 31 HA ARG 31 8.261 4.933 1.631
276 HE ARG 31 HE ARG 31 9.910 9.576 0.326
277 HB2 ARG 31 2HB ARG 31 9.983 6.644 1.548
278 HB3 ARG 31 1HB ARG 31 9.930 6.657 -0.212
279 HG2 ARG 31 2HG ARG 31 7.301 7.138 0.787
280 HG3 ARG 31 1HG ARG 31 8.431 8.221 1.601
281 HD2 ARG 31 2HD ARG 31 8.298 7.861 -1.392
282 HD3 ARG 31 1HD ARG 31 7.442 9.130 -0.514
283 HH11 ARG 31 1HH1 ARG 31 8.728 8.917 -2.902
284 HH12 ARG 31 2HH1 ARG 31 10.011 9.778 -3.695
285 HH21 ARG 31 1HH2 ARG 31 11.584 10.744 -0.700
286 HH22 ARG 31 2HH2 ARG 31 11.625 10.838 -2.433
287 H LEU 32 H LEU 32 6.273 4.707 0.870
288 HA LEU 32 HA LEU 32 5.882 4.850 -2.047
289 HG LEU 32 HG LEU 32 6.231 2.155 -0.490
290 HB2 LEU 32 2HB LEU 32 4.180 3.445 0.016
291 HB3 LEU 32 1HB LEU 32 3.829 3.529 -1.697
292 HD11 LEU 32 1HD1 LEU 32 5.090 0.087 -1.130
293 HD12 LEU 32 2HD1 LEU 32 3.681 1.022 -1.632
294 HD13 LEU 32 3HD1 LEU 32 4.167 0.999 0.063
295 HD21 LEU 32 3HD2 LEU 32 5.192 2.189 -3.322
296 HD22 LEU 32 1HD2 LEU 32 6.561 1.249 -2.727
297 HD23 LEU 32 2HD2 LEU 32 6.642 3.011 -2.743
298 H GLU 33 H GLU 33 4.822 6.596 -2.730
299 HA GLU 33 HA GLU 33 3.377 8.201 -0.749
300 HB2 GLU 33 2HB GLU 33 3.389 9.945 -2.578
301 HB3 GLU 33 1HB GLU 33 4.966 9.507 -1.937
302 HG2 GLU 33 2HG GLU 33 5.251 7.981 -3.886
303 HG3 GLU 33 1HG GLU 33 3.751 8.633 -4.544
304 H PHE 34 H PHE 34 1.209 8.680 -0.940
305 HA PHE 34 HA PHE 34 -0.268 7.618 -3.191
306 HD1 PHE 34 HD1 PHE 34 1.245 7.221 0.220
307 HD2 PHE 34 HD2 PHE 34 -2.616 5.440 0.168
308 HE1 PHE 34 HE1 PHE 34 1.278 7.090 2.671
309 HE2 PHE 34 HE2 PHE 34 -2.589 5.305 2.620
310 HZ PHE 34 HZ PHE 34 -0.640 6.131 3.874
311 HB2 PHE 34 2HB PHE 34 -1.720 6.173 -1.801
312 HB3 PHE 34 1HB PHE 34 -0.057 5.607 -1.854
313 H GLU 35 H GLU 35 -2.417 8.279 -3.306
314 HA GLU 35 HA GLU 35 -3.401 10.127 -1.271
315 HB2 GLU 35 2HB GLU 35 -2.143 11.434 -3.049
316 HB3 GLU 35 1HB GLU 35 -3.360 10.891 -4.195
317 HG2 GLU 35 2HG GLU 35 -5.091 12.005 -2.935
318 HG3 GLU 35 1HG GLU 35 -3.919 12.487 -1.710
319 H LYS 36 H LYS 36 -5.542 9.937 -0.985
320 HA LYS 36 HA LYS 36 -7.645 9.110 -1.090
321 HB2 LYS 36 2HB LYS 36 -7.060 9.078 -4.049
322 HB3 LYS 36 1HB LYS 36 -8.617 8.619 -3.375
323 HG2 LYS 36 2HG LYS 36 -9.174 10.753 -3.613
324 HG3 LYS 36 1HG LYS 36 -8.142 11.063 -2.216
325 HD2 LYS 36 2HD LYS 36 -6.258 11.508 -3.682
326 HD3 LYS 36 1HD LYS 36 -7.247 11.127 -5.094
327 HE2 LYS 36 2HE LYS 36 -8.773 12.986 -4.440
328 HE3 LYS 36 1HE LYS 36 -7.631 13.410 -3.167
329 HZ1 LYS 36 3HZ LYS 36 -5.948 13.820 -4.837
330 HZ2 LYS 36 1HZ LYS 36 -7.329 14.753 -5.156
331 HZ3 LYS 36 2HZ LYS 36 -7.021 13.365 -6.073
332 H GLY 37 H GLY 37 -5.180 7.340 -0.991
333 HA2 GLY 37 2HA GLY 37 -5.098 5.089 -0.350
334 HA3 GLY 37 1HA GLY 37 -6.685 4.851 -1.066
335 H ARG 38 H ARG 38 -4.993 6.489 -3.328
336 HA ARG 38 HA ARG 38 -4.248 4.002 -4.707
337 HE ARG 38 HE ARG 38 -5.425 4.771 -8.351
338 HB2 ARG 38 2HB ARG 38 -4.560 6.802 -5.823
339 HB3 ARG 38 1HB ARG 38 -4.235 5.347 -6.754
340 HG2 ARG 38 2HG ARG 38 -6.406 4.430 -6.001
341 HG3 ARG 38 1HG ARG 38 -6.733 5.969 -5.199
342 HD2 ARG 38 2HD ARG 38 -7.826 5.959 -7.338
343 HD3 ARG 38 1HD ARG 38 -6.487 7.102 -7.387
344 HH11 ARG 38 1HH1 ARG 38 -8.126 6.829 -9.247
345 HH12 ARG 38 2HH1 ARG 38 -8.076 6.360 -10.923
346 HH21 ARG 38 1HH2 ARG 38 -5.364 4.183 -10.550
347 HH22 ARG 38 2HH2 ARG 38 -6.513 4.870 -11.660
348 H PHE 39 H PHE 39 -2.391 3.397 -4.328
349 HA PHE 39 HA PHE 39 -0.115 4.800 -3.606
350 HD1 PHE 39 HD2 PHE 39 1.305 3.558 -2.089
351 HD2 PHE 39 HD1 PHE 39 -1.631 0.785 -3.436
352 HE1 PHE 39 HE2 PHE 39 1.121 2.649 0.191
353 HE2 PHE 39 HE1 PHE 39 -1.831 -0.117 -1.155
354 HZ PHE 39 HZ PHE 39 -0.451 0.812 0.659
355 HB2 PHE 39 2HB PHE 39 -0.686 2.191 -4.945
356 HB3 PHE 39 1HB PHE 39 0.984 2.683 -4.642
357 H LEU 40 H LEU 40 1.198 6.126 -4.725
358 HA LEU 40 HA LEU 40 0.899 6.356 -7.593
359 HG LEU 40 HG LEU 40 0.435 8.686 -7.609
360 HB2 LEU 40 2HB LEU 40 2.462 7.870 -5.534
361 HB3 LEU 40 1HB LEU 40 2.869 8.033 -7.230
362 HD11 LEU 40 1HD1 LEU 40 -0.784 9.563 -5.701
363 HD12 LEU 40 2HD1 LEU 40 0.502 9.035 -4.617
364 HD13 LEU 40 3HD1 LEU 40 -0.454 7.843 -5.495
365 HD21 LEU 40 3HD2 LEU 40 2.238 10.292 -7.689
366 HD22 LEU 40 1HD2 LEU 40 2.211 10.455 -5.933
367 HD23 LEU 40 2HD2 LEU 40 0.837 11.003 -6.892
368 H LEU 41 H LEU 41 1.726 4.737 -8.668
369 HA LEU 41 HA LEU 41 4.327 3.637 -7.930
370 HG LEU 41 HG LEU 41 4.402 1.900 -10.609
371 HB2 LEU 41 2HB LEU 41 2.534 2.029 -8.236
372 HB3 LEU 41 1HB LEU 41 2.178 2.679 -9.824
373 HD11 LEU 41 1HD1 LEU 41 5.564 1.875 -8.463
374 HD12 LEU 41 2HD1 LEU 41 5.645 0.298 -9.247
375 HD13 LEU 41 3HD1 LEU 41 4.528 0.559 -7.910
376 HD21 LEU 41 3HD2 LEU 41 2.370 0.567 -10.951
377 HD22 LEU 41 1HD2 LEU 41 2.655 -0.252 -9.417
378 HD23 LEU 41 2HD2 LEU 41 3.799 -0.448 -10.746
379 HA PRO 42 HA PRO 42 6.188 6.051 -11.253
380 HB2 PRO 42 2HB PRO 42 8.430 4.219 -10.649
381 HB3 PRO 42 1HB PRO 42 8.398 5.984 -10.678
382 HG2 PRO 42 2HG PRO 42 8.525 4.629 -8.377
383 HG3 PRO 42 1HG PRO 42 7.611 6.141 -8.519
384 HD2 PRO 42 2HD PRO 42 6.616 3.329 -8.449
385 HD3 PRO 42 1HD PRO 42 5.916 4.791 -7.734
386 H ARG 43 H ARG 43 7.931 5.084 -13.012
387 HA ARG 43 HA ARG 43 6.336 3.637 -14.792
388 HE ARG 43 HE ARG 43 8.631 2.683 -19.084
389 HB2 ARG 43 2HB ARG 43 8.206 5.096 -15.476
390 HB3 ARG 43 1HB ARG 43 9.344 3.925 -14.824
391 HG2 ARG 43 2HG ARG 43 8.579 2.269 -16.438
392 HG3 ARG 43 1HG ARG 43 7.420 3.432 -17.085
393 HD2 ARG 43 2HD ARG 43 9.261 4.903 -17.734
394 HD3 ARG 43 1HD ARG 43 10.421 3.748 -17.075
395 HH11 ARG 43 1HH1 ARG 43 11.716 4.244 -18.485
396 HH12 ARG 43 2HH1 ARG 43 12.458 3.604 -19.927
397 HH21 ARG 43 1HH2 ARG 43 9.591 1.851 -20.973
398 HH22 ARG 43 2HH2 ARG 43 11.234 2.288 -21.361
399 H LYS 44 H LYS 44 9.134 2.519 -12.896
400 HA LYS 44 HA LYS 44 7.996 -0.130 -12.742
401 HB2 LYS 44 2HB LYS 44 9.140 -0.221 -14.915
402 HB3 LYS 44 1HB LYS 44 10.631 0.322 -14.159
403 HG2 LYS 44 2HG LYS 44 10.562 -1.749 -12.748
404 HG3 LYS 44 1HG LYS 44 9.212 -2.296 -13.742
405 HD2 LYS 44 2HD LYS 44 11.857 -1.502 -14.930
406 HD3 LYS 44 1HD LYS 44 11.547 -3.137 -14.354
407 HE2 LYS 44 2HE LYS 44 11.130 -3.143 -16.689
408 HE3 LYS 44 1HE LYS 44 9.564 -3.198 -15.891
409 HZ1 LYS 44 3HZ LYS 44 9.834 -1.636 -17.851
410 HZ2 LYS 44 1HZ LYS 44 10.737 -0.642 -16.818
411 HZ3 LYS 44 2HZ LYS 44 9.115 -0.994 -16.459
412 H SER 45 H SER 45 11.132 1.527 -12.413
413 HA SER 45 HA SER 45 12.644 1.651 -10.739
414 HG SER 45 HG SER 45 10.659 3.068 -10.396
415 HB2 SER 45 2HB SER 45 10.319 0.946 -8.931
416 HB3 SER 45 1HB SER 45 11.867 1.614 -8.412
417 H LEU 46 H LEU 46 10.751 -0.871 -9.142
418 HA LEU 46 HA LEU 46 12.786 -2.839 -9.907
419 HG LEU 46 HG LEU 46 14.212 -2.727 -6.539
420 HB2 LEU 46 2HB LEU 46 11.793 -2.256 -7.129
421 HB3 LEU 46 1HB LEU 46 12.429 -3.830 -7.554
422 HD11 LEU 46 1HD1 LEU 46 15.873 -2.403 -8.286
423 HD12 LEU 46 2HD1 LEU 46 14.592 -2.333 -9.497
424 HD13 LEU 46 3HD1 LEU 46 14.876 -3.822 -8.594
425 HD21 LEU 46 3HD2 LEU 46 13.298 -0.484 -6.483
426 HD22 LEU 46 1HD2 LEU 46 13.595 -0.298 -8.212
427 HD23 LEU 46 2HD2 LEU 46 14.952 -0.459 -7.097
428 HA PRO 47 HA PRO 47 9.265 -5.089 -11.260
429 HB2 PRO 47 2HB PRO 47 10.963 -7.471 -10.739
430 HB3 PRO 47 1HB PRO 47 10.148 -6.968 -12.226
431 HG2 PRO 47 2HG PRO 47 12.783 -6.707 -11.978
432 HG3 PRO 47 1HG PRO 47 11.818 -5.457 -12.785
433 HD2 PRO 47 2HD PRO 47 12.967 -5.468 -10.018
434 HD3 PRO 47 1HD PRO 47 12.876 -4.137 -11.193
435 H LYS 48 H LYS 48 11.047 -6.411 -8.470
436 HA LYS 48 HA LYS 48 8.952 -7.960 -7.436
437 HB2 LYS 48 2HB LYS 48 10.198 -7.910 -5.310
438 HB3 LYS 48 1HB LYS 48 11.238 -8.264 -6.682
439 HG2 LYS 48 2HG LYS 48 12.092 -6.010 -6.671
440 HG3 LYS 48 1HG LYS 48 10.969 -5.557 -5.386
441 HD2 LYS 48 2HD LYS 48 12.047 -7.197 -3.900
442 HD3 LYS 48 1HD LYS 48 13.194 -7.586 -5.183
443 HE2 LYS 48 2HE LYS 48 14.068 -5.345 -5.146
444 HE3 LYS 48 1HE LYS 48 12.834 -4.839 -3.991
445 HZ1 LYS 48 3HZ LYS 48 13.772 -6.357 -2.372
446 HZ2 LYS 48 1HZ LYS 48 14.949 -5.259 -2.902
447 HZ3 LYS 48 2HZ LYS 48 14.962 -6.852 -3.478
448 H VAL 49 H VAL 49 9.737 -4.560 -7.011
449 HA VAL 49 HA VAL 49 7.893 -4.114 -4.881
450 HB VAL 49 HB VAL 49 9.089 -2.111 -6.812
451 HG11 VAL 49 1HG1 VAL 49 8.560 -0.440 -5.099
452 HG12 VAL 49 2HG1 VAL 49 7.773 -1.686 -4.128
453 HG13 VAL 49 3HG1 VAL 49 7.103 -1.235 -5.696
454 HG21 VAL 49 3HG2 VAL 49 9.991 -2.937 -4.055
455 HG22 VAL 49 1HG2 VAL 49 10.710 -1.663 -5.038
456 HG23 VAL 49 2HG2 VAL 49 10.794 -3.344 -5.571
457 H LYS 50 H LYS 50 7.813 -3.529 -8.376
458 HA LYS 50 HA LYS 50 5.200 -2.476 -8.449
459 HB2 LYS 50 2HB LYS 50 6.873 -2.250 -10.276
460 HB3 LYS 50 1HB LYS 50 6.671 -3.957 -10.643
461 HG2 LYS 50 2HG LYS 50 4.403 -3.620 -11.303
462 HG3 LYS 50 1HG LYS 50 4.437 -1.949 -10.737
463 HD2 LYS 50 2HD LYS 50 6.155 -1.440 -12.436
464 HD3 LYS 50 1HD LYS 50 6.038 -3.102 -13.022
465 HE2 LYS 50 2HE LYS 50 3.749 -1.139 -12.938
466 HE3 LYS 50 1HE LYS 50 4.719 -1.486 -14.368
467 HZ1 LYS 50 3HZ LYS 50 3.346 -3.658 -12.923
468 HZ2 LYS 50 1HZ LYS 50 3.873 -3.623 -14.528
469 HZ3 LYS 50 2HZ LYS 50 2.507 -2.724 -14.058
470 H GLN 51 H GLN 51 6.439 -5.767 -8.694
471 HA GLN 51 HA GLN 51 4.032 -7.053 -9.344
472 HB2 GLN 51 2HB GLN 51 6.243 -8.129 -9.462
473 HB3 GLN 51 1HB GLN 51 6.358 -8.084 -7.709
474 HG2 GLN 51 2HG GLN 51 5.744 -10.290 -8.431
475 HG3 GLN 51 1HG GLN 51 4.401 -9.553 -7.558
476 HE21 GLN 51 1HE2 GLN 51 2.534 -9.000 -8.663
477 HE22 GLN 51 2HE2 GLN 51 2.195 -9.589 -10.254
478 H ALA 52 H ALA 52 5.488 -6.275 -6.208
479 HA ALA 52 HA ALA 52 3.537 -7.486 -4.589
480 HB1 ALA 52 3HB ALA 52 5.293 -5.111 -3.967
481 HB2 ALA 52 1HB ALA 52 5.735 -6.805 -3.757
482 HB3 ALA 52 2HB ALA 52 4.438 -6.105 -2.789
483 H ILE 53 H ILE 53 3.866 -4.142 -5.750
484 HA ILE 53 HA ILE 53 1.564 -3.137 -4.473
485 HB ILE 53 HB ILE 53 2.960 -2.164 -6.973
486 HG12 ILE 53 2HG1 ILE 53 3.101 -1.280 -4.078
487 HG13 ILE 53 1HG1 ILE 53 4.354 -2.156 -4.953
488 HG21 ILE 53 1HG2 ILE 53 0.895 -0.763 -5.273
489 HG22 ILE 53 2HG2 ILE 53 0.661 -1.344 -6.922
490 HG23 ILE 53 3HG2 ILE 53 1.800 -0.036 -6.599
491 HD11 ILE 53 3HD1 ILE 53 4.891 0.202 -4.739
492 HD12 ILE 53 1HD1 ILE 53 3.392 0.633 -5.564
493 HD13 ILE 53 2HD1 ILE 53 4.658 -0.239 -6.429
494 H LEU 54 H LEU 54 2.018 -4.614 -7.669
495 HA LEU 54 HA LEU 54 -0.613 -4.212 -8.599
496 HG LEU 54 HG LEU 54 -0.456 -4.571 -11.053
497 HB2 LEU 54 2HB LEU 54 1.681 -5.878 -9.360
498 HB3 LEU 54 1HB LEU 54 0.125 -6.577 -9.765
499 HD11 LEU 54 1HD1 LEU 54 2.333 -3.638 -10.398
500 HD12 LEU 54 2HD1 LEU 54 0.839 -2.927 -9.791
501 HD13 LEU 54 3HD1 LEU 54 1.212 -2.858 -11.512
502 HD21 LEU 54 3HD2 LEU 54 1.106 -4.911 -12.889
503 HD22 LEU 54 1HD2 LEU 54 0.628 -6.445 -12.164
504 HD23 LEU 54 2HD2 LEU 54 2.208 -5.754 -11.802
505 H GLU 55 H GLU 55 0.838 -6.807 -6.684
506 HA GLU 55 HA GLU 55 -1.496 -8.421 -6.595
507 HB2 GLU 55 2HB GLU 55 0.787 -9.250 -6.088
508 HB3 GLU 55 1HB GLU 55 0.792 -8.283 -4.621
509 HG2 GLU 55 2HG GLU 55 -0.977 -9.589 -3.679
510 HG3 GLU 55 1HG GLU 55 -1.194 -10.468 -5.192
511 H LEU 56 H LEU 56 -0.249 -5.803 -4.601
512 HA LEU 56 HA LEU 56 -2.267 -5.836 -2.628
513 HG LEU 56 HG LEU 56 0.696 -5.254 -2.432
514 HB2 LEU 56 2HB LEU 56 -0.597 -3.572 -3.717
515 HB3 LEU 56 1HB LEU 56 -1.688 -3.400 -2.357
516 HD11 LEU 56 1HD1 LEU 56 0.315 -2.589 -1.069
517 HD12 LEU 56 2HD1 LEU 56 1.383 -2.916 -2.436
518 HD13 LEU 56 3HD1 LEU 56 1.704 -3.657 -0.866
519 HD21 LEU 56 3HD2 LEU 56 -1.089 -6.052 -0.975
520 HD22 LEU 56 1HD2 LEU 56 -1.166 -4.476 -0.191
521 HD23 LEU 56 2HD2 LEU 56 0.278 -5.473 -0.025
522 H ASN 57 H ASN 57 -2.018 -4.151 -5.747
523 HA ASN 57 HA ASN 57 -4.446 -2.762 -5.632
524 HB2 ASN 57 2HB ASN 57 -2.959 -3.865 -8.023
525 HB3 ASN 57 1HB ASN 57 -4.354 -2.801 -8.145
526 HD21 ASN 57 1HD2 ASN 57 -3.533 -1.265 -5.763
527 HD22 ASN 57 2HD2 ASN 57 -2.226 -0.271 -6.294
528 H GLU 58 H GLU 58 -3.718 -6.036 -6.685
529 HA GLU 58 HA GLU 58 -6.276 -6.760 -7.608
530 HB2 GLU 58 2HB GLU 58 -4.129 -8.044 -7.906
531 HB3 GLU 58 1HB GLU 58 -4.269 -8.550 -6.232
532 HG2 GLU 58 2HG GLU 58 -6.339 -9.696 -6.707
533 HG3 GLU 58 1HG GLU 58 -6.303 -9.123 -8.374
534 H LEU 59 H LEU 59 -4.716 -7.161 -4.462
535 HA LEU 59 HA LEU 59 -6.885 -8.270 -3.079
536 HG LEU 59 HG LEU 59 -6.498 -6.991 -0.307
537 HB2 LEU 59 2HB LEU 59 -4.532 -8.179 -2.268
538 HB3 LEU 59 1HB LEU 59 -4.736 -6.466 -1.965
539 HD11 LEU 59 1HD1 LEU 59 -7.230 -9.128 -1.250
540 HD12 LEU 59 2HD1 LEU 59 -6.785 -9.290 0.450
541 HD13 LEU 59 3HD1 LEU 59 -5.684 -9.850 -0.809
542 HD21 LEU 59 3HD2 LEU 59 -3.875 -8.400 0.171
543 HD22 LEU 59 1HD2 LEU 59 -4.990 -7.822 1.410
544 HD23 LEU 59 2HD2 LEU 59 -4.156 -6.670 0.365
545 H ILE 60 H ILE 60 -5.935 -4.879 -3.549
546 HA ILE 60 HA ILE 60 -7.958 -3.655 -2.059
547 HB ILE 60 HB ILE 60 -6.671 -2.702 -4.626
548 HG12 ILE 60 2HG1 ILE 60 -6.158 -1.907 -1.753
549 HG13 ILE 60 1HG1 ILE 60 -5.162 -3.029 -2.671
550 HG21 ILE 60 1HG2 ILE 60 -8.803 -1.586 -4.354
551 HG22 ILE 60 2HG2 ILE 60 -7.496 -0.458 -3.985
552 HG23 ILE 60 3HG2 ILE 60 -8.415 -1.200 -2.676
553 HD11 ILE 60 3HD1 ILE 60 -4.602 -1.245 -4.238
554 HD12 ILE 60 1HD1 ILE 60 -4.161 -0.823 -2.583
555 HD13 ILE 60 2HD1 ILE 60 -5.606 -0.124 -3.315
556 H GLU 61 H GLU 61 -7.914 -4.443 -5.532
557 HA GLU 61 HA GLU 61 -10.463 -3.577 -6.184
558 HB2 GLU 61 2HB GLU 61 -8.651 -4.356 -7.749
559 HB3 GLU 61 1HB GLU 61 -9.094 -6.007 -7.345
560 HG2 GLU 61 2HG GLU 61 -11.330 -5.636 -8.242
561 HG3 GLU 61 1HG GLU 61 -10.899 -3.970 -8.635
562 H ALA 62 H ALA 62 -9.442 -6.707 -4.894
563 HA ALA 62 HA ALA 62 -11.983 -7.947 -5.033
564 HB1 ALA 62 3HB ALA 62 -9.672 -8.576 -3.198
565 HB2 ALA 62 1HB ALA 62 -9.890 -9.203 -4.832
566 HB3 ALA 62 2HB ALA 62 -11.034 -9.637 -3.562
567 H GLN 63 H GLN 63 -10.255 -6.489 -2.265
568 HA GLN 63 HA GLN 63 -12.431 -6.928 -0.466
569 HB2 GLN 63 2HB GLN 63 -10.009 -5.144 -0.182
570 HB3 GLN 63 1HB GLN 63 -11.106 -5.587 1.121
571 HG2 GLN 63 2HG GLN 63 -10.506 -7.965 0.718
572 HG3 GLN 63 1HG GLN 63 -9.296 -7.412 -0.434
573 HE21 GLN 63 1HE2 GLN 63 -8.675 -5.040 1.182
574 HE22 GLN 63 2HE2 GLN 63 -7.730 -5.615 2.508
575 H ASN 64 H ASN 64 -11.656 -4.445 -2.688
576 HA ASN 64 HA ASN 64 -13.325 -2.423 -1.486
577 HB2 ASN 64 2HB ASN 64 -11.465 -1.702 -2.837
578 HB3 ASN 64 1HB ASN 64 -12.006 -2.668 -4.199
579 HD21 ASN 64 1HD2 ASN 64 -13.546 -1.871 -5.550
580 HD22 ASN 64 2HD2 ASN 64 -14.140 -0.256 -5.457
581 H HIS 65 H HIS 65 -13.669 -5.029 -3.749
582 HA HIS 65 HA HIS 65 -16.233 -4.129 -4.732
583 HD1 HIS 65 HD1 HIS 65 -16.806 -8.329 -5.750
584 HD2 HIS 65 HD2 HIS 65 -17.045 -4.582 -7.547
585 HE1 HIS 65 HE1 HIS 65 -18.711 -8.476 -7.381
586 HE2 HIS 65 HE2 HIS 65 -18.678 -6.277 -8.613
587 HB2 HIS 65 2HB HIS 65 -14.618 -5.443 -6.133
588 HB3 HIS 65 1HB HIS 65 -14.909 -6.826 -5.088
589 H GLN 66 H GLN 66 -15.173 -7.099 -3.042
590 HA GLN 66 HA GLN 66 -17.216 -7.117 -1.109
591 HB2 GLN 66 2HB GLN 66 -18.543 -7.369 -3.285
592 HB3 GLN 66 1HB GLN 66 -17.799 -8.955 -3.431
593 HG2 GLN 66 2HG GLN 66 -18.760 -9.442 -1.136
594 HG3 GLN 66 1HG GLN 66 -19.722 -7.977 -1.350
595 HE21 GLN 66 1HE2 GLN 66 -21.683 -8.973 -1.468
596 HE22 GLN 66 2HE2 GLN 66 -22.146 -10.022 -2.776
597 H THR 67 H THR 67 -17.012 -8.942 0.259
598 HA THR 67 HA THR 67 -14.595 -10.497 -0.185
599 HB THR 67 HB THR 67 -15.204 -9.511 2.070
600 HG1 THR 67 HG1 THR 67 -14.531 -12.210 1.614
601 HG21 THR 67 3HG2 THR 67 -16.737 -10.839 3.471
602 HG22 THR 67 1HG2 THR 67 -17.175 -11.800 2.060
603 HG23 THR 67 2HG2 THR 67 -17.572 -10.081 2.115
604 H LYS 68 H LYS 68 -17.818 -10.806 -0.957
605 HA LYS 68 HA LYS 68 -17.896 -13.699 -0.659
606 HB2 LYS 68 2HB LYS 68 -19.967 -11.626 -1.347
607 HB3 LYS 68 1HB LYS 68 -20.274 -13.342 -1.555
608 HG2 LYS 68 2HG LYS 68 -19.928 -13.732 0.804
609 HG3 LYS 68 1HG LYS 68 -19.485 -12.043 1.046
610 HD2 LYS 68 2HD LYS 68 -22.157 -12.822 -0.080
611 HD3 LYS 68 1HD LYS 68 -21.872 -12.759 1.659
612 HE2 LYS 68 2HE LYS 68 -21.152 -10.413 1.423
613 HE3 LYS 68 1HE LYS 68 -21.526 -10.496 -0.298
614 HZ1 LYS 68 3HZ LYS 68 -23.516 -10.976 1.856
615 HZ2 LYS 68 1HZ LYS 68 -23.821 -10.837 0.192
616 HZ3 LYS 68 2HZ LYS 68 -23.304 -9.485 1.074
617 H THR 69 H THR 69 -18.899 -14.906 -2.552
618 HA THR 69 HA THR 69 -17.134 -14.613 -4.767
619 HB THR 69 HB THR 69 -19.574 -16.391 -4.680
620 HG1 THR 69 HG1 THR 69 -17.810 -17.899 -3.789
621 HG21 THR 69 3HG2 THR 69 -18.155 -17.890 -6.010
622 HG22 THR 69 1HG2 THR 69 -16.850 -16.708 -5.954
623 HG23 THR 69 2HG2 THR 69 -18.350 -16.326 -6.802
624 H ALA 70 H ALA 70 -20.377 -13.620 -4.089
625 HA ALA 70 HA ALA 70 -21.834 -12.245 -5.134
626 HB1 ALA 70 3HB ALA 70 -21.114 -10.812 -6.947
627 HB2 ALA 70 1HB ALA 70 -19.672 -11.799 -7.186
628 HB3 ALA 70 2HB ALA 70 -19.871 -10.877 -5.696
629 H LEU 71 H LEU 71 -20.133 -13.629 -7.944
630 HA LEU 71 HA LEU 71 -22.767 -14.496 -8.930
631 HG LEU 71 HG LEU 71 -21.440 -11.791 -9.658
632 HB2 LEU 71 2HB LEU 71 -20.255 -13.804 -10.453
633 HB3 LEU 71 1HB LEU 71 -21.741 -14.381 -11.182
634 HD11 LEU 71 1HD1 LEU 71 -20.286 -11.766 -11.808
635 HD12 LEU 71 2HD1 LEU 71 -21.701 -10.715 -11.815
636 HD13 LEU 71 3HD1 LEU 71 -21.766 -12.289 -12.609
637 HD21 LEU 71 3HD2 LEU 71 -23.781 -12.903 -11.199
638 HD22 LEU 71 1HD2 LEU 71 -23.692 -11.307 -10.457
639 HD23 LEU 71 2HD2 LEU 71 -23.675 -12.750 -9.445
640 H GLU 72 H GLU 72 -21.937 -16.160 -10.967
641 HA GLU 72 HA GLU 72 -20.729 -18.386 -9.490
642 HB2 GLU 72 2HB GLU 72 -23.143 -18.735 -9.642
643 HB3 GLU 72 1HB GLU 72 -23.092 -18.475 -11.379
644 HG2 GLU 72 2HG GLU 72 -23.288 -20.830 -10.864
645 HG3 GLU 72 1HG GLU 72 -21.753 -20.491 -11.654
646 H HIS 73 H HIS 73 -18.989 -17.097 -10.684
647 HA HIS 73 HA HIS 73 -18.486 -17.580 -13.391
648 HD1 HIS 73 HD1 HIS 73 -14.280 -18.026 -11.523
649 HD2 HIS 73 HD2 HIS 73 -17.571 -17.001 -9.196
650 HE1 HIS 73 HE1 HIS 73 -13.583 -18.443 -9.146
651 HE2 HIS 73 HE2 HIS 73 -15.663 -18.041 -7.790
652 HB2 HIS 73 2HB HIS 73 -16.127 -17.177 -12.894
653 HB3 HIS 73 1HB HIS 73 -17.138 -16.011 -12.054
654 H HIS 74 H HIS 74 -18.942 -19.543 -14.114
655 HA HIS 74 HA HIS 74 -18.642 -21.963 -12.828
656 HD1 HIS 74 HD1 HIS 74 -18.168 -22.728 -17.529
657 HD2 HIS 74 HD2 HIS 74 -19.210 -19.106 -15.766
658 HE1 HIS 74 HE1 HIS 74 -17.934 -20.991 -19.336
659 HE2 HIS 74 HE2 HIS 74 -18.793 -18.860 -18.297
660 HB2 HIS 74 2HB HIS 74 -18.713 -22.996 -15.143
661 HB3 HIS 74 1HB HIS 74 -20.046 -21.931 -14.728
Start of MODEL 11
1 HA MET 1 HA MET 1 4.638 8.417 6.297
2 H1 MET 1 1H MET 1 4.568 10.618 7.253
3 H2 MET 1 2H MET 1 4.930 9.993 8.787
4 H3 MET 1 3H MET 1 3.469 9.585 8.028
5 HB2 MET 1 2HB MET 1 7.073 9.205 7.912
6 HB3 MET 1 1HB MET 1 7.084 7.980 6.653
7 HG2 MET 1 2HG MET 1 7.944 10.022 5.756
8 HG3 MET 1 1HG MET 1 6.374 9.695 5.026
9 HE1 MET 1 3HE MET 1 6.411 12.263 4.151
10 HE2 MET 1 1HE MET 1 7.953 12.513 4.974
11 HE3 MET 1 2HE MET 1 6.620 13.639 5.234
12 H ARG 2 H ARG 2 3.855 6.466 6.779
13 HA ARG 2 HA ARG 2 4.261 5.451 9.502
14 HE ARG 2 HE ARG 2 1.488 4.433 12.240
15 HB2 ARG 2 2HB ARG 2 2.004 5.489 7.894
16 HB3 ARG 2 1HB ARG 2 2.563 3.826 7.773
17 HG2 ARG 2 2HG ARG 2 0.981 4.034 9.584
18 HG3 ARG 2 1HG ARG 2 2.587 3.673 10.230
19 HD2 ARG 2 2HD ARG 2 2.859 6.188 10.503
20 HD3 ARG 2 1HD ARG 2 1.127 6.300 10.204
21 HH11 ARG 2 1HH1 ARG 2 2.031 7.840 11.660
22 HH12 ARG 2 2HH1 ARG 2 1.880 8.297 13.327
23 HH21 ARG 2 1HH2 ARG 2 1.283 5.027 14.464
24 HH22 ARG 2 2HH2 ARG 2 1.474 6.691 14.924
25 H VAL 3 H VAL 3 5.952 4.187 9.780
26 HA VAL 3 HA VAL 3 7.080 2.707 7.552
27 HB VAL 3 HB VAL 3 8.023 2.850 10.424
28 HG11 VAL 3 1HG1 VAL 3 9.411 1.891 7.922
29 HG12 VAL 3 2HG1 VAL 3 8.853 0.883 9.256
30 HG13 VAL 3 3HG1 VAL 3 10.157 2.042 9.514
31 HG21 VAL 3 3HG2 VAL 3 8.928 4.409 8.006
32 HG22 VAL 3 1HG2 VAL 3 9.682 4.455 9.600
33 HG23 VAL 3 2HG2 VAL 3 8.036 5.052 9.385
34 H PHE 4 H PHE 4 6.723 0.645 7.160
35 HA PHE 4 HA PHE 4 5.563 -1.017 9.299
36 HD1 PHE 4 HD2 PHE 4 3.838 1.166 6.826
37 HD2 PHE 4 HD1 PHE 4 2.746 -2.480 8.726
38 HE1 PHE 4 HE2 PHE 4 1.674 2.153 7.465
39 HE2 PHE 4 HE1 PHE 4 0.585 -1.504 9.370
40 HZ PHE 4 HZ PHE 4 0.044 0.814 8.741
41 HB2 PHE 4 2HB PHE 4 4.993 -0.986 6.340
42 HB3 PHE 4 1HB PHE 4 4.643 -2.400 7.327
43 HA PRO 5 HA PRO 5 9.579 -2.993 8.625
44 HB2 PRO 5 2HB PRO 5 8.845 -4.388 11.108
45 HB3 PRO 5 1HB PRO 5 10.251 -3.375 10.767
46 HG2 PRO 5 2HG PRO 5 8.280 -2.546 12.388
47 HG3 PRO 5 1HG PRO 5 9.147 -1.423 11.324
48 HD2 PRO 5 2HD PRO 5 6.450 -2.683 10.955
49 HD3 PRO 5 1HD PRO 5 6.960 -1.008 10.651
50 H VAL 6 H VAL 6 6.422 -4.201 8.756
51 HA VAL 6 HA VAL 6 7.334 -6.788 7.720
52 HB VAL 6 HB VAL 6 6.517 -7.174 9.974
53 HG11 VAL 6 1HG1 VAL 6 5.086 -5.235 10.246
54 HG12 VAL 6 2HG1 VAL 6 4.189 -6.712 10.598
55 HG13 VAL 6 3HG1 VAL 6 3.951 -5.883 9.061
56 HG21 VAL 6 3HG2 VAL 6 4.745 -8.813 9.493
57 HG22 VAL 6 1HG2 VAL 6 6.077 -8.906 8.339
58 HG23 VAL 6 2HG2 VAL 6 4.565 -8.123 7.879
59 H TYR 7 H TYR 7 6.526 -7.300 5.798
60 HA TYR 7 HA TYR 7 4.594 -5.598 4.529
61 HD1 TYR 7 HD2 TYR 7 4.944 -4.973 1.947
62 HD2 TYR 7 HD1 TYR 7 4.287 -9.176 2.086
63 HE1 TYR 7 HE2 TYR 7 3.610 -4.829 -0.117
64 HE2 TYR 7 HE1 TYR 7 2.954 -9.040 0.025
65 HH TYR 7 HH TYR 7 1.770 -7.537 -1.318
66 HB2 TYR 7 2HB TYR 7 6.454 -6.615 3.263
67 HB3 TYR 7 1HB TYR 7 5.797 -8.214 3.586
68 H ALA 8 H ALA 8 2.717 -5.774 5.686
69 HA ALA 8 HA ALA 8 1.359 -8.382 5.570
70 HB1 ALA 8 3HB ALA 8 1.600 -7.482 7.834
71 HB2 ALA 8 1HB ALA 8 -0.094 -7.558 7.352
72 HB3 ALA 8 2HB ALA 8 0.756 -6.014 7.341
73 HA PRO 9 HA PRO 9 -0.179 -6.203 1.886
74 HB2 PRO 9 2HB PRO 9 -2.027 -8.326 1.475
75 HB3 PRO 9 1HB PRO 9 -0.493 -8.062 0.660
76 HG2 PRO 9 2HG PRO 9 -1.135 -9.836 2.936
77 HG3 PRO 9 1HG PRO 9 0.110 -10.013 1.685
78 HD2 PRO 9 2HD PRO 9 0.734 -9.331 4.196
79 HD3 PRO 9 1HD PRO 9 1.603 -8.640 2.810
80 H LYS 10 H LYS 10 -2.639 -8.090 3.614
81 HA LYS 10 HA LYS 10 -4.710 -6.334 2.800
82 HB2 LYS 10 2HB LYS 10 -4.755 -8.467 4.940
83 HB3 LYS 10 1HB LYS 10 -6.169 -7.702 4.223
84 HG2 LYS 10 2HG LYS 10 -5.488 -8.582 2.021
85 HG3 LYS 10 1HG LYS 10 -4.145 -9.415 2.799
86 HD2 LYS 10 2HD LYS 10 -5.729 -10.717 4.140
87 HD3 LYS 10 1HD LYS 10 -7.076 -9.874 3.365
88 HE2 LYS 10 2HE LYS 10 -6.337 -10.737 1.187
89 HE3 LYS 10 1HE LYS 10 -5.025 -11.601 1.980
90 HZ1 LYS 10 3HZ LYS 10 -7.930 -12.066 2.411
91 HZ2 LYS 10 1HZ LYS 10 -6.675 -12.895 3.197
92 HZ3 LYS 10 2HZ LYS 10 -6.882 -13.056 1.521
93 H LEU 11 H LEU 11 -2.645 -6.380 5.590
94 HA LEU 11 HA LEU 11 -4.283 -4.635 7.169
95 HG LEU 11 HG LEU 11 -3.751 -5.817 9.244
96 HB2 LEU 11 2HB LEU 11 -1.418 -5.517 7.351
97 HB3 LEU 11 1HB LEU 11 -2.019 -4.225 8.371
98 HD11 LEU 11 1HD1 LEU 11 -3.813 -7.418 7.450
99 HD12 LEU 11 2HD1 LEU 11 -3.310 -8.224 8.937
100 HD13 LEU 11 3HD1 LEU 11 -2.116 -7.820 7.704
101 HD21 LEU 11 3HD2 LEU 11 -1.719 -5.316 10.485
102 HD22 LEU 11 1HD2 LEU 11 -0.866 -6.598 9.627
103 HD23 LEU 11 2HD2 LEU 11 -2.199 -6.998 10.711
104 H ILE 12 H ILE 12 -1.531 -4.233 4.990
105 HA ILE 12 HA ILE 12 -1.096 -1.496 5.331
106 HB ILE 12 HB ILE 12 -0.753 -3.186 2.845
107 HG12 ILE 12 2HG1 ILE 12 1.261 -2.222 4.893
108 HG13 ILE 12 1HG1 ILE 12 0.583 -3.847 4.832
109 HG21 ILE 12 1HG2 ILE 12 -0.930 -0.833 2.227
110 HG22 ILE 12 2HG2 ILE 12 0.723 -1.407 2.020
111 HG23 ILE 12 3HG2 ILE 12 0.305 -0.413 3.413
112 HD11 ILE 12 3HD1 ILE 12 2.271 -2.555 2.700
113 HD12 ILE 12 1HD1 ILE 12 1.594 -4.183 2.637
114 HD13 ILE 12 2HD1 ILE 12 2.803 -3.778 3.855
115 H VAL 13 H VAL 13 -3.226 -3.171 3.026
116 HA VAL 13 HA VAL 13 -4.255 -0.830 1.830
117 HB VAL 13 HB VAL 13 -5.534 -3.561 2.043
118 HG11 VAL 13 1HG1 VAL 13 -6.841 -2.904 0.090
119 HG12 VAL 13 2HG1 VAL 13 -6.110 -1.299 0.130
120 HG13 VAL 13 3HG1 VAL 13 -7.155 -1.827 1.450
121 HG21 VAL 13 3HG2 VAL 13 -3.814 -2.364 -0.127
122 HG22 VAL 13 1HG2 VAL 13 -4.609 -3.937 -0.190
123 HG23 VAL 13 2HG2 VAL 13 -3.336 -3.640 0.994
124 H LYS 14 H LYS 14 -5.282 -2.730 4.622
125 HA LYS 14 HA LYS 14 -7.774 -1.490 5.019
126 HB2 LYS 14 2HB LYS 14 -7.039 -3.606 6.115
127 HB3 LYS 14 1HB LYS 14 -5.955 -2.663 7.130
128 HG2 LYS 14 2HG LYS 14 -7.833 -1.504 8.114
129 HG3 LYS 14 1HG LYS 14 -8.946 -2.355 7.044
130 HD2 LYS 14 2HD LYS 14 -8.216 -4.495 8.059
131 HD3 LYS 14 1HD LYS 14 -7.209 -3.581 9.184
132 HE2 LYS 14 2HE LYS 14 -9.339 -4.196 10.208
133 HE3 LYS 14 1HE LYS 14 -9.184 -2.447 10.051
134 HZ1 LYS 14 3HZ LYS 14 -10.566 -2.560 8.052
135 HZ2 LYS 14 1HZ LYS 14 -11.383 -3.162 9.410
136 HZ3 LYS 14 2HZ LYS 14 -10.748 -4.234 8.266
137 H HIS 15 H HIS 15 -4.518 -0.666 6.121
138 HA HIS 15 HA HIS 15 -5.404 1.583 7.673
139 HD1 HIS 15 HD1 HIS 15 -4.201 1.690 10.102
140 HD2 HIS 15 HD2 HIS 15 -2.295 -1.530 8.285
141 HE1 HIS 15 HE1 HIS 15 -3.851 -0.013 11.922
142 HE2 HIS 15 HE2 HIS 15 -2.527 -1.865 10.834
143 HB2 HIS 15 2HB HIS 15 -2.677 0.673 6.761
144 HB3 HIS 15 1HB HIS 15 -2.929 2.140 7.692
145 H ALA 16 H ALA 16 -4.157 1.048 4.427
146 HA ALA 16 HA ALA 16 -3.668 3.715 3.702
147 HB1 ALA 16 3HB ALA 16 -3.753 2.952 1.403
148 HB2 ALA 16 1HB ALA 16 -4.565 1.467 1.900
149 HB3 ALA 16 2HB ALA 16 -2.900 1.770 2.398
150 H ARG 17 H ARG 17 -6.630 1.913 3.958
151 HA ARG 17 HA ARG 17 -8.355 3.533 2.482
152 HE ARG 17 HE ARG 17 -12.261 1.446 3.012
153 HB2 ARG 17 2HB ARG 17 -8.647 1.660 4.768
154 HB3 ARG 17 1HB ARG 17 -9.990 2.753 4.445
155 HG2 ARG 17 2HG ARG 17 -8.754 0.995 2.343
156 HG3 ARG 17 1HG ARG 17 -10.128 0.505 3.342
157 HD2 ARG 17 2HD ARG 17 -10.139 3.064 1.780
158 HD3 ARG 17 1HD ARG 17 -10.631 1.534 1.048
159 HH11 ARG 17 1HH1 ARG 17 -11.223 4.440 1.485
160 HH12 ARG 17 2HH1 ARG 17 -12.694 5.274 1.883
161 HH21 ARG 17 1HH2 ARG 17 -14.159 2.544 3.526
162 HH22 ARG 17 2HH2 ARG 17 -14.359 4.211 3.057
163 H ILE 18 H ILE 18 -6.847 4.066 5.549
164 HA ILE 18 HA ILE 18 -8.517 6.426 6.044
165 HB ILE 18 HB ILE 18 -6.457 5.159 7.856
166 HG12 ILE 18 2HG1 ILE 18 -9.467 4.884 7.943
167 HG13 ILE 18 1HG1 ILE 18 -8.391 3.668 7.261
168 HG21 ILE 18 1HG2 ILE 18 -6.918 7.519 8.335
169 HG22 ILE 18 2HG2 ILE 18 -7.519 6.468 9.617
170 HG23 ILE 18 3HG2 ILE 18 -8.642 7.157 8.444
171 HD11 ILE 18 3HD1 ILE 18 -9.062 3.079 9.513
172 HD12 ILE 18 1HD1 ILE 18 -8.420 4.605 10.124
173 HD13 ILE 18 2HD1 ILE 18 -7.327 3.399 9.443
174 H PHE 19 H PHE 19 -5.189 5.394 5.556
175 HA PHE 19 HA PHE 19 -4.139 8.089 5.773
176 HD1 PHE 19 HD1 PHE 19 -2.834 8.254 7.600
177 HD2 PHE 19 HD2 PHE 19 -2.443 4.075 6.899
178 HE1 PHE 19 HE1 PHE 19 -2.578 7.879 10.017
179 HE2 PHE 19 HE2 PHE 19 -2.188 3.691 9.318
180 HZ PHE 19 HZ PHE 19 -2.257 5.594 10.878
181 HB2 PHE 19 2HB PHE 19 -2.793 5.461 5.116
182 HB3 PHE 19 1HB PHE 19 -1.950 6.995 5.271
183 H LEU 20 H LEU 20 -5.914 6.858 3.525
184 HA LEU 20 HA LEU 20 -4.986 6.308 1.174
185 HG LEU 20 HG LEU 20 -6.941 8.960 2.729
186 HB2 LEU 20 2HB LEU 20 -6.842 7.553 0.122
187 HB3 LEU 20 1HB LEU 20 -7.306 6.590 1.508
188 HD11 LEU 20 1HD1 LEU 20 -7.893 10.734 1.339
189 HD12 LEU 20 2HD1 LEU 20 -7.883 9.646 -0.050
190 HD13 LEU 20 3HD1 LEU 20 -6.362 10.145 0.690
191 HD21 LEU 20 3HD2 LEU 20 -9.429 8.060 1.281
192 HD22 LEU 20 1HD2 LEU 20 -9.374 9.245 2.588
193 HD23 LEU 20 2HD2 LEU 20 -8.920 7.569 2.897
194 H THR 21 H THR 21 -4.712 9.683 2.285
195 HA THR 21 HA THR 21 -2.874 10.039 0.025
196 HB THR 21 HB THR 21 -4.708 11.541 -0.313
197 HG1 THR 21 HG1 THR 21 -3.164 12.812 -0.949
198 HG21 THR 21 3HG2 THR 21 -5.601 11.659 1.943
199 HG22 THR 21 1HG2 THR 21 -5.331 13.277 1.299
200 HG23 THR 21 2HG2 THR 21 -4.202 12.594 2.470
201 H GLY 22 H GLY 22 -1.014 9.439 0.942
202 HA2 GLY 22 2HA GLY 22 0.306 11.204 2.725
203 HA3 GLY 22 1HA GLY 22 -0.231 9.770 3.583
204 H VAL 23 H VAL 23 2.096 9.512 3.950
205 HA VAL 23 HA VAL 23 3.402 8.177 1.667
206 HB VAL 23 HB VAL 23 4.822 9.708 3.856
207 HG11 VAL 23 1HG1 VAL 23 5.851 8.499 1.294
208 HG12 VAL 23 2HG1 VAL 23 6.130 7.879 2.921
209 HG13 VAL 23 3HG1 VAL 23 6.798 9.440 2.443
210 HG21 VAL 23 3HG2 VAL 23 3.597 11.264 2.448
211 HG22 VAL 23 1HG2 VAL 23 4.289 10.525 1.003
212 HG23 VAL 23 2HG2 VAL 23 5.330 11.387 2.136
213 H ILE 24 H ILE 24 3.939 6.113 2.029
214 HA ILE 24 HA ILE 24 4.073 5.192 4.829
215 HB ILE 24 HB ILE 24 2.103 4.303 3.606
216 HG12 ILE 24 2HG1 ILE 24 4.206 2.222 4.241
217 HG13 ILE 24 1HG1 ILE 24 3.123 2.978 5.405
218 HG21 ILE 24 1HG2 ILE 24 3.002 4.289 1.360
219 HG22 ILE 24 2HG2 ILE 24 2.424 2.681 1.799
220 HG23 ILE 24 3HG2 ILE 24 4.153 3.030 1.806
221 HD11 ILE 24 3HD1 ILE 24 1.208 1.974 4.276
222 HD12 ILE 24 1HD1 ILE 24 2.363 0.753 4.811
223 HD13 ILE 24 2HD1 ILE 24 2.294 1.214 3.109
224 H TRP 25 H TRP 25 5.698 3.638 5.311
225 HA TRP 25 HA TRP 25 7.747 3.318 3.225
226 HD1 TRP 25 HD1 TRP 25 10.548 2.233 4.213
227 HE1 TRP 25 HE1 TRP 25 12.576 3.336 3.071
228 HE3 TRP 25 HE3 TRP 25 9.065 7.112 4.510
229 HZ2 TRP 25 HZ2 TRP 25 13.430 5.944 2.397
230 HZ3 TRP 25 HZ3 TRP 25 10.544 8.855 3.595
231 HH2 TRP 25 HH2 TRP 25 12.684 8.281 2.561
232 HB2 TRP 25 2HB TRP 25 8.091 5.071 5.251
233 HB3 TRP 25 1HB TRP 25 8.688 3.608 6.026
234 H VAL 26 H VAL 26 7.349 1.194 2.821
235 HA VAL 26 HA VAL 26 7.123 -0.671 5.058
236 HB VAL 26 HB VAL 26 7.094 -1.425 2.147
237 HG11 VAL 26 1HG1 VAL 26 5.719 -3.298 2.942
238 HG12 VAL 26 2HG1 VAL 26 5.881 -2.700 4.593
239 HG13 VAL 26 3HG1 VAL 26 7.303 -3.259 3.713
240 HG21 VAL 26 3HG2 VAL 26 4.739 -0.513 3.794
241 HG22 VAL 26 1HG2 VAL 26 4.649 -1.209 2.176
242 HG23 VAL 26 2HG2 VAL 26 5.447 0.346 2.426
243 H LYS 27 H LYS 27 8.542 -2.444 5.298
244 HA LYS 27 HA LYS 27 11.251 -1.753 5.048
245 HB2 LYS 27 2HB LYS 27 10.286 -3.276 6.782
246 HB3 LYS 27 1HB LYS 27 10.134 -4.515 5.546
247 HG2 LYS 27 2HG LYS 27 12.599 -4.358 5.197
248 HG3 LYS 27 1HG LYS 27 12.669 -3.293 6.601
249 HD2 LYS 27 2HD LYS 27 13.188 -5.504 7.334
250 HD3 LYS 27 1HD LYS 27 11.573 -5.105 7.927
251 HE2 LYS 27 2HE LYS 27 11.558 -7.356 7.075
252 HE3 LYS 27 1HE LYS 27 10.612 -6.329 5.998
253 HZ1 LYS 27 3HZ LYS 27 12.581 -6.190 4.541
254 HZ2 LYS 27 1HZ LYS 27 11.998 -7.772 4.706
255 HZ3 LYS 27 2HZ LYS 27 13.389 -7.285 5.548
256 H ASP 28 H ASP 28 9.282 -4.068 3.226
257 HA ASP 28 HA ASP 28 11.561 -4.807 1.594
258 HB2 ASP 28 2HB ASP 28 8.758 -5.809 1.867
259 HB3 ASP 28 1HB ASP 28 9.678 -6.209 0.420
260 H LEU 29 H LEU 29 9.492 -2.271 1.509
261 HA LEU 29 HA LEU 29 9.452 -2.228 -1.435
262 HG LEU 29 HG LEU 29 7.076 -3.353 0.387
263 HB2 LEU 29 2HB LEU 29 7.469 -0.949 0.444
264 HB3 LEU 29 1HB LEU 29 7.418 -0.877 -1.308
265 HD11 LEU 29 1HD1 LEU 29 5.111 -1.861 -1.345
266 HD12 LEU 29 2HD1 LEU 29 5.142 -1.859 0.418
267 HD13 LEU 29 3HD1 LEU 29 4.796 -3.352 -0.456
268 HD21 LEU 29 3HD2 LEU 29 6.978 -3.034 -2.608
269 HD22 LEU 29 1HD2 LEU 29 6.608 -4.505 -1.709
270 HD23 LEU 29 2HD2 LEU 29 8.247 -3.852 -1.694
271 H GLY 30 H GLY 30 9.351 -0.059 1.389
272 HA2 GLY 30 2HA GLY 30 11.077 1.631 1.633
273 HA3 GLY 30 1HA GLY 30 11.079 1.786 -0.119
274 H ARG 31 H ARG 31 10.676 3.981 -0.038
275 HA ARG 31 HA ARG 31 8.424 5.083 1.347
276 HE ARG 31 HE ARG 31 10.984 7.593 -1.728
277 HB2 ARG 31 2HB ARG 31 10.320 6.492 1.041
278 HB3 ARG 31 1HB ARG 31 10.359 6.183 -0.690
279 HG2 ARG 31 2HG ARG 31 8.142 7.343 -0.853
280 HG3 ARG 31 1HG ARG 31 8.342 7.805 0.839
281 HD2 ARG 31 2HD ARG 31 9.052 9.578 -0.709
282 HD3 ARG 31 1HD ARG 31 10.376 9.002 0.302
283 HH11 ARG 31 1HH1 ARG 31 9.350 10.688 -2.009
284 HH12 ARG 31 2HH1 ARG 31 10.019 11.039 -3.568
285 HH21 ARG 31 1HH2 ARG 31 11.866 8.062 -3.772
286 HH22 ARG 31 2HH2 ARG 31 11.459 9.550 -4.576
287 H LEU 32 H LEU 32 6.378 4.931 0.692
288 HA LEU 32 HA LEU 32 5.853 4.983 -2.206
289 HG LEU 32 HG LEU 32 6.378 2.238 -0.773
290 HB2 LEU 32 2HB LEU 32 4.334 3.434 -0.101
291 HB3 LEU 32 1HB LEU 32 3.866 3.574 -1.784
292 HD11 LEU 32 1HD1 LEU 32 4.366 0.982 -0.227
293 HD12 LEU 32 2HD1 LEU 32 5.292 0.171 -1.488
294 HD13 LEU 32 3HD1 LEU 32 3.838 1.077 -1.908
295 HD21 LEU 32 3HD2 LEU 32 6.651 1.483 -3.077
296 HD22 LEU 32 1HD2 LEU 32 6.677 3.245 -2.980
297 HD23 LEU 32 2HD2 LEU 32 5.232 2.414 -3.558
298 H GLU 33 H GLU 33 5.015 6.901 -2.640
299 HA GLU 33 HA GLU 33 3.310 8.217 -0.669
300 HB2 GLU 33 2HB GLU 33 4.411 9.246 -3.294
301 HB3 GLU 33 1HB GLU 33 3.504 10.193 -2.123
302 HG2 GLU 33 2HG GLU 33 5.277 9.850 -0.475
303 HG3 GLU 33 1HG GLU 33 6.185 8.909 -1.654
304 H PHE 34 H PHE 34 1.267 7.595 -0.742
305 HA PHE 34 HA PHE 34 0.131 6.837 -3.343
306 HD1 PHE 34 HD2 PHE 34 1.531 5.930 0.153
307 HD2 PHE 34 HD1 PHE 34 -2.706 5.592 -0.076
308 HE1 PHE 34 HE2 PHE 34 1.399 5.987 2.605
309 HE2 PHE 34 HE1 PHE 34 -2.838 5.633 2.377
310 HZ PHE 34 HZ PHE 34 -0.786 5.829 3.719
311 HB2 PHE 34 2HB PHE 34 -1.474 5.448 -2.007
312 HB3 PHE 34 1HB PHE 34 0.203 4.929 -1.903
313 H GLU 35 H GLU 35 -2.099 7.265 -3.718
314 HA GLU 35 HA GLU 35 -3.303 9.382 -2.116
315 HB2 GLU 35 2HB GLU 35 -1.976 10.573 -3.795
316 HB3 GLU 35 1HB GLU 35 -2.731 9.639 -5.076
317 HG2 GLU 35 2HG GLU 35 -3.641 11.898 -4.903
318 HG3 GLU 35 1HG GLU 35 -4.862 10.667 -4.624
319 H LYS 36 H LYS 36 -5.511 9.457 -2.250
320 HA LYS 36 HA LYS 36 -7.622 8.645 -2.431
321 HB2 LYS 36 2HB LYS 36 -6.769 7.426 -5.061
322 HB3 LYS 36 1HB LYS 36 -8.403 7.825 -4.552
323 HG2 LYS 36 2HG LYS 36 -6.185 9.725 -5.249
324 HG3 LYS 36 1HG LYS 36 -7.692 9.465 -6.122
325 HD2 LYS 36 2HD LYS 36 -8.964 10.419 -4.312
326 HD3 LYS 36 1HD LYS 36 -7.518 10.542 -3.308
327 HE2 LYS 36 2HE LYS 36 -6.546 12.096 -4.975
328 HE3 LYS 36 1HE LYS 36 -8.062 12.032 -5.874
329 HZ1 LYS 36 3HZ LYS 36 -7.824 12.936 -3.056
330 HZ2 LYS 36 1HZ LYS 36 -9.211 13.003 -4.029
331 HZ3 LYS 36 2HZ LYS 36 -7.871 13.978 -4.394
332 H GLY 37 H GLY 37 -5.261 6.940 -1.478
333 HA2 GLY 37 2HA GLY 37 -5.249 4.898 -0.352
334 HA3 GLY 37 1HA GLY 37 -6.793 4.504 -1.093
335 H ARG 38 H ARG 38 -4.741 5.590 -3.450
336 HA ARG 38 HA ARG 38 -3.925 2.836 -4.143
337 HE ARG 38 HE ARG 38 -5.107 4.242 -8.414
338 HB2 ARG 38 2HB ARG 38 -4.905 5.110 -5.870
339 HB3 ARG 38 1HB ARG 38 -3.940 3.801 -6.543
340 HG2 ARG 38 2HG ARG 38 -5.594 2.179 -5.918
341 HG3 ARG 38 1HG ARG 38 -6.522 3.399 -5.047
342 HD2 ARG 38 2HD ARG 38 -7.427 2.798 -7.300
343 HD3 ARG 38 1HD ARG 38 -7.105 4.515 -7.066
344 HH11 ARG 38 1HH1 ARG 38 -7.360 1.551 -8.505
345 HH12 ARG 38 2HH1 ARG 38 -6.882 1.059 -10.104
346 HH21 ARG 38 1HH2 ARG 38 -4.470 3.567 -10.497
347 HH22 ARG 38 2HH2 ARG 38 -5.252 2.187 -11.220
348 H PHE 39 H PHE 39 -2.005 2.433 -4.681
349 HA PHE 39 HA PHE 39 -0.011 4.267 -3.719
350 HD1 PHE 39 HD2 PHE 39 -1.840 1.113 -2.686
351 HD2 PHE 39 HD1 PHE 39 1.990 2.774 -1.866
352 HE1 PHE 39 HE2 PHE 39 -2.220 0.778 -0.280
353 HE2 PHE 39 HE1 PHE 39 1.620 2.438 0.545
354 HZ PHE 39 HZ PHE 39 -0.486 1.440 1.341
355 HB2 PHE 39 2HB PHE 39 -0.205 1.371 -4.419
356 HB3 PHE 39 1HB PHE 39 1.377 2.098 -4.113
357 H LEU 40 H LEU 40 1.276 5.447 -4.980
358 HA LEU 40 HA LEU 40 1.206 5.171 -7.844
359 HG LEU 40 HG LEU 40 0.616 7.533 -8.194
360 HB2 LEU 40 2HB LEU 40 2.594 7.056 -5.959
361 HB3 LEU 40 1HB LEU 40 3.011 7.021 -7.661
362 HD11 LEU 40 1HD1 LEU 40 0.413 8.004 -5.226
363 HD12 LEU 40 2HD1 LEU 40 -0.414 6.742 -6.138
364 HD13 LEU 40 3HD1 LEU 40 -0.802 8.436 -6.429
365 HD21 LEU 40 3HD2 LEU 40 0.782 9.896 -7.602
366 HD22 LEU 40 1HD2 LEU 40 2.321 9.263 -8.186
367 HD23 LEU 40 2HD2 LEU 40 2.073 9.519 -6.459
368 H LEU 41 H LEU 41 2.873 4.559 -9.179
369 HA LEU 41 HA LEU 41 4.857 2.817 -7.910
370 HG LEU 41 HG LEU 41 6.194 2.094 -10.656
371 HB2 LEU 41 2HB LEU 41 3.392 1.792 -9.576
372 HB3 LEU 41 1HB LEU 41 3.868 2.990 -10.762
373 HD11 LEU 41 1HD1 LEU 41 6.107 1.092 -8.439
374 HD12 LEU 41 2HD1 LEU 41 6.559 -0.101 -9.656
375 HD13 LEU 41 3HD1 LEU 41 4.920 -0.081 -9.005
376 HD21 LEU 41 3HD2 LEU 41 4.039 0.123 -11.397
377 HD22 LEU 41 1HD2 LEU 41 5.712 0.078 -11.953
378 HD23 LEU 41 2HD2 LEU 41 4.663 1.418 -12.420
379 HA PRO 42 HA PRO 42 8.084 5.850 -8.822
380 HB2 PRO 42 2HB PRO 42 9.709 3.390 -8.407
381 HB3 PRO 42 1HB PRO 42 9.886 4.994 -7.686
382 HG2 PRO 42 2HG PRO 42 8.900 2.955 -6.278
383 HG3 PRO 42 1HG PRO 42 8.268 4.601 -6.085
384 HD2 PRO 42 2HD PRO 42 7.077 2.273 -7.517
385 HD3 PRO 42 1HD PRO 42 6.282 3.556 -6.589
386 H ARG 43 H ARG 43 9.837 5.945 -10.416
387 HA ARG 43 HA ARG 43 8.959 5.107 -12.949
388 HE ARG 43 HE ARG 43 12.529 8.060 -11.483
389 HB2 ARG 43 2HB ARG 43 11.720 6.040 -12.149
390 HB3 ARG 43 1HB ARG 43 11.098 5.968 -13.791
391 HG2 ARG 43 2HG ARG 43 9.376 7.618 -13.185
392 HG3 ARG 43 1HG ARG 43 10.076 7.718 -11.566
393 HD2 ARG 43 2HD ARG 43 11.483 8.378 -14.152
394 HD3 ARG 43 1HD ARG 43 10.850 9.544 -12.990
395 HH11 ARG 43 1HH1 ARG 43 12.921 9.672 -14.569
396 HH12 ARG 43 2HH1 ARG 43 14.604 10.034 -14.311
397 HH21 ARG 43 1HH2 ARG 43 14.734 8.493 -11.153
398 HH22 ARG 43 2HH2 ARG 43 15.640 9.345 -12.362
399 H LYS 44 H LYS 44 8.749 2.969 -13.265
400 HA LYS 44 HA LYS 44 9.309 0.850 -13.857
401 HB2 LYS 44 2HB LYS 44 12.208 1.598 -13.455
402 HB3 LYS 44 1HB LYS 44 11.576 0.229 -14.361
403 HG2 LYS 44 2HG LYS 44 10.555 1.754 -15.961
404 HG3 LYS 44 1HG LYS 44 11.191 3.124 -15.051
405 HD2 LYS 44 2HD LYS 44 12.825 0.986 -16.422
406 HD3 LYS 44 1HD LYS 44 12.601 2.641 -16.987
407 HE2 LYS 44 2HE LYS 44 13.936 1.804 -14.415
408 HE3 LYS 44 1HE LYS 44 14.756 2.364 -15.870
409 HZ1 LYS 44 3HZ LYS 44 13.495 4.491 -15.595
410 HZ2 LYS 44 1HZ LYS 44 14.638 4.177 -14.384
411 HZ3 LYS 44 2HZ LYS 44 12.995 3.934 -14.071
412 H SER 45 H SER 45 11.496 1.992 -11.309
413 HA SER 45 HA SER 45 11.672 1.436 -9.125
414 HG SER 45 HG SER 45 8.835 0.534 -7.323
415 HB2 SER 45 2HB SER 45 9.180 1.570 -9.275
416 HB3 SER 45 1HB SER 45 9.147 -0.165 -9.567
417 H LEU 46 H LEU 46 11.154 -0.910 -7.759
418 HA LEU 46 HA LEU 46 13.063 -2.718 -9.063
419 HG LEU 46 HG LEU 46 14.918 -1.847 -7.740
420 HB2 LEU 46 2HB LEU 46 12.399 -2.281 -6.149
421 HB3 LEU 46 1HB LEU 46 13.375 -3.623 -6.712
422 HD11 LEU 46 1HD1 LEU 46 13.381 -0.107 -5.816
423 HD12 LEU 46 2HD1 LEU 46 13.421 0.062 -7.569
424 HD13 LEU 46 3HD1 LEU 46 14.883 0.338 -6.624
425 HD21 LEU 46 3HD2 LEU 46 14.633 -2.120 -4.753
426 HD22 LEU 46 1HD2 LEU 46 16.064 -1.511 -5.581
427 HD23 LEU 46 2HD2 LEU 46 15.545 -3.179 -5.828
428 HA PRO 47 HA PRO 47 10.320 -6.039 -9.826
429 HB2 PRO 47 2HB PRO 47 12.073 -7.589 -7.954
430 HB3 PRO 47 1HB PRO 47 11.457 -8.038 -9.551
431 HG2 PRO 47 2HG PRO 47 13.956 -7.185 -9.269
432 HG3 PRO 47 1HG PRO 47 12.982 -6.687 -10.666
433 HD2 PRO 47 2HD PRO 47 13.798 -5.132 -8.275
434 HD3 PRO 47 1HD PRO 47 13.475 -4.578 -9.928
435 H LYS 48 H LYS 48 11.367 -6.227 -6.386
436 HA LYS 48 HA LYS 48 8.989 -7.533 -5.572
437 HB2 LYS 48 2HB LYS 48 11.068 -6.049 -3.963
438 HB3 LYS 48 1HB LYS 48 9.724 -6.920 -3.239
439 HG2 LYS 48 2HG LYS 48 10.624 -8.935 -4.598
440 HG3 LYS 48 1HG LYS 48 12.108 -7.984 -4.688
441 HD2 LYS 48 2HD LYS 48 10.681 -8.799 -2.153
442 HD3 LYS 48 1HD LYS 48 12.148 -9.538 -2.793
443 HE2 LYS 48 2HE LYS 48 13.349 -7.445 -2.511
444 HE3 LYS 48 1HE LYS 48 11.879 -6.652 -1.948
445 HZ1 LYS 48 3HZ LYS 48 13.413 -7.362 -0.150
446 HZ2 LYS 48 1HZ LYS 48 13.128 -8.975 -0.583
447 HZ3 LYS 48 2HZ LYS 48 11.855 -8.014 -0.004
448 H VAL 49 H VAL 49 9.829 -4.177 -5.896
449 HA VAL 49 HA VAL 49 7.688 -3.213 -4.246
450 HB VAL 49 HB VAL 49 9.273 -1.660 -6.294
451 HG11 VAL 49 1HG1 VAL 49 7.708 -0.776 -3.874
452 HG12 VAL 49 2HG1 VAL 49 7.258 -0.523 -5.561
453 HG13 VAL 49 3HG1 VAL 49 8.685 0.276 -4.899
454 HG21 VAL 49 3HG2 VAL 49 9.858 -2.068 -3.365
455 HG22 VAL 49 1HG2 VAL 49 10.735 -0.992 -4.451
456 HG23 VAL 49 2HG2 VAL 49 10.785 -2.737 -4.707
457 H LYS 50 H LYS 50 8.299 -3.471 -7.724
458 HA LYS 50 HA LYS 50 5.947 -2.199 -8.582
459 HB2 LYS 50 2HB LYS 50 7.913 -2.620 -10.024
460 HB3 LYS 50 1HB LYS 50 7.540 -4.339 -10.006
461 HG2 LYS 50 2HG LYS 50 5.444 -3.926 -11.148
462 HG3 LYS 50 1HG LYS 50 5.740 -2.188 -11.098
463 HD2 LYS 50 2HD LYS 50 7.710 -2.464 -12.502
464 HD3 LYS 50 1HD LYS 50 7.472 -4.212 -12.516
465 HE2 LYS 50 2HE LYS 50 5.469 -2.216 -13.555
466 HE3 LYS 50 1HE LYS 50 6.652 -3.048 -14.563
467 HZ1 LYS 50 3HZ LYS 50 4.382 -4.070 -14.500
468 HZ2 LYS 50 1HZ LYS 50 4.669 -4.490 -12.883
469 HZ3 LYS 50 2HZ LYS 50 5.646 -5.127 -14.113
470 H GLN 51 H GLN 51 6.651 -5.628 -7.965
471 HA GLN 51 HA GLN 51 4.150 -6.625 -8.793
472 HB2 GLN 51 2HB GLN 51 6.138 -7.706 -6.795
473 HB3 GLN 51 1HB GLN 51 4.722 -8.583 -7.340
474 HG2 GLN 51 2HG GLN 51 5.587 -8.473 -9.649
475 HG3 GLN 51 1HG GLN 51 7.043 -7.694 -9.028
476 HE21 GLN 51 1HE2 GLN 51 8.364 -9.354 -9.722
477 HE22 GLN 51 2HE2 GLN 51 8.392 -10.908 -8.945
478 H ALA 52 H ALA 52 5.356 -5.581 -5.630
479 HA ALA 52 HA ALA 52 3.115 -6.413 -4.146
480 HB1 ALA 52 3HB ALA 52 5.295 -5.928 -3.149
481 HB2 ALA 52 1HB ALA 52 3.992 -5.042 -2.357
482 HB3 ALA 52 2HB ALA 52 5.061 -4.213 -3.490
483 H ILE 53 H ILE 53 3.900 -3.278 -5.635
484 HA ILE 53 HA ILE 53 1.719 -1.866 -4.572
485 HB ILE 53 HB ILE 53 3.247 -1.432 -7.138
486 HG12 ILE 53 2HG1 ILE 53 3.349 -0.074 -4.433
487 HG13 ILE 53 1HG1 ILE 53 4.552 -1.185 -5.077
488 HG21 ILE 53 1HG2 ILE 53 1.040 -0.438 -7.372
489 HG22 ILE 53 2HG2 ILE 53 2.266 0.816 -7.194
490 HG23 ILE 53 3HG2 ILE 53 1.234 0.394 -5.828
491 HD11 ILE 53 3HD1 ILE 53 5.290 1.120 -5.243
492 HD12 ILE 53 1HD1 ILE 53 3.865 1.518 -6.200
493 HD13 ILE 53 2HD1 ILE 53 5.075 0.410 -6.845
494 H LEU 54 H LEU 54 2.022 -3.662 -7.648
495 HA LEU 54 HA LEU 54 -0.671 -3.137 -8.417
496 HG LEU 54 HG LEU 54 -0.230 -2.890 -10.752
497 HB2 LEU 54 2HB LEU 54 1.461 -4.987 -9.388
498 HB3 LEU 54 1HB LEU 54 -0.192 -5.255 -9.906
499 HD11 LEU 54 1HD1 LEU 54 2.730 -3.033 -10.219
500 HD12 LEU 54 2HD1 LEU 54 1.572 -1.956 -9.439
501 HD13 LEU 54 3HD1 LEU 54 1.913 -1.785 -11.160
502 HD21 LEU 54 3HD2 LEU 54 1.049 -3.393 -12.773
503 HD22 LEU 54 1HD2 LEU 54 0.072 -4.766 -12.250
504 HD23 LEU 54 2HD2 LEU 54 1.810 -4.754 -11.946
505 H GLU 55 H GLU 55 0.879 -5.623 -6.513
506 HA GLU 55 HA GLU 55 -1.284 -7.418 -6.319
507 HB2 GLU 55 2HB GLU 55 1.010 -7.950 -5.571
508 HB3 GLU 55 1HB GLU 55 0.856 -6.773 -4.275
509 HG2 GLU 55 2HG GLU 55 -0.957 -8.100 -3.301
510 HG3 GLU 55 1HG GLU 55 -0.767 -9.290 -4.587
511 H LEU 56 H LEU 56 -0.321 -4.641 -4.334
512 HA LEU 56 HA LEU 56 -2.449 -4.724 -2.510
513 HG LEU 56 HG LEU 56 0.549 -3.997 -2.328
514 HB2 LEU 56 2HB LEU 56 -0.855 -2.371 -3.524
515 HB3 LEU 56 1HB LEU 56 -1.947 -2.308 -2.157
516 HD11 LEU 56 1HD1 LEU 56 -0.033 -1.489 -0.762
517 HD12 LEU 56 2HD1 LEU 56 1.045 -1.623 -2.152
518 HD13 LEU 56 3HD1 LEU 56 1.435 -2.460 -0.650
519 HD21 LEU 56 3HD2 LEU 56 0.148 -4.401 0.070
520 HD22 LEU 56 1HD2 LEU 56 -1.123 -5.072 -0.953
521 HD23 LEU 56 2HD2 LEU 56 -1.403 -3.570 -0.070
522 H ASN 57 H ASN 57 -2.117 -3.086 -5.629
523 HA ASN 57 HA ASN 57 -4.531 -1.704 -5.720
524 HB2 ASN 57 2HB ASN 57 -2.868 -2.991 -7.875
525 HB3 ASN 57 1HB ASN 57 -4.382 -2.190 -8.264
526 HD21 ASN 57 1HD2 ASN 57 -4.091 -0.116 -6.273
527 HD22 ASN 57 2HD2 ASN 57 -2.866 0.955 -6.865
528 H GLU 58 H GLU 58 -3.815 -4.994 -6.798
529 HA GLU 58 HA GLU 58 -6.406 -5.715 -7.597
530 HB2 GLU 58 2HB GLU 58 -4.259 -6.951 -8.060
531 HB3 GLU 58 1HB GLU 58 -4.318 -7.542 -6.411
532 HG2 GLU 58 2HG GLU 58 -6.527 -8.546 -6.895
533 HG3 GLU 58 1HG GLU 58 -6.334 -8.062 -8.579
534 H LEU 59 H LEU 59 -4.694 -6.043 -4.554
535 HA LEU 59 HA LEU 59 -6.617 -7.494 -3.132
536 HG LEU 59 HG LEU 59 -6.191 -6.296 -0.293
537 HB2 LEU 59 2HB LEU 59 -4.254 -7.129 -2.456
538 HB3 LEU 59 1HB LEU 59 -4.666 -5.479 -2.029
539 HD11 LEU 59 1HD1 LEU 59 -5.228 -9.034 -1.112
540 HD12 LEU 59 2HD1 LEU 59 -6.852 -8.393 -1.355
541 HD13 LEU 59 3HD1 LEU 59 -6.250 -8.668 0.279
542 HD21 LEU 59 3HD2 LEU 59 -3.438 -7.513 -0.155
543 HD22 LEU 59 1HD2 LEU 59 -4.497 -7.188 1.218
544 HD23 LEU 59 2HD2 LEU 59 -3.860 -5.850 0.258
545 H ILE 60 H ILE 60 -6.248 -3.998 -3.585
546 HA ILE 60 HA ILE 60 -8.306 -3.145 -1.874
547 HB ILE 60 HB ILE 60 -7.483 -1.952 -4.536
548 HG12 ILE 60 2HG1 ILE 60 -6.634 -1.188 -1.737
549 HG13 ILE 60 1HG1 ILE 60 -5.662 -2.158 -2.839
550 HG21 ILE 60 1HG2 ILE 60 -9.682 -1.158 -3.828
551 HG22 ILE 60 2HG2 ILE 60 -8.480 0.126 -3.704
552 HG23 ILE 60 3HG2 ILE 60 -9.021 -0.715 -2.253
553 HD11 ILE 60 3HD1 ILE 60 -5.539 -0.296 -4.390
554 HD12 ILE 60 1HD1 ILE 60 -4.947 0.172 -2.796
555 HD13 ILE 60 2HD1 ILE 60 -6.555 0.673 -3.323
556 H GLU 61 H GLU 61 -8.349 -4.094 -5.281
557 HA GLU 61 HA GLU 61 -11.162 -3.815 -5.606
558 HB2 GLU 61 2HB GLU 61 -9.052 -5.222 -7.237
559 HB3 GLU 61 1HB GLU 61 -10.740 -5.124 -7.723
560 HG2 GLU 61 2HG GLU 61 -8.954 -2.760 -7.209
561 HG3 GLU 61 1HG GLU 61 -9.325 -3.428 -8.799
562 H ALA 62 H ALA 62 -9.324 -6.124 -4.010
563 HA ALA 62 HA ALA 62 -11.198 -8.304 -4.442
564 HB1 ALA 62 3HB ALA 62 -9.763 -9.576 -2.927
565 HB2 ALA 62 1HB ALA 62 -8.829 -8.119 -2.575
566 HB3 ALA 62 2HB ALA 62 -8.810 -8.811 -4.197
567 H GLN 63 H GLN 63 -10.537 -5.777 -2.154
568 HA GLN 63 HA GLN 63 -12.208 -6.954 -0.099
569 HB2 GLN 63 2HB GLN 63 -10.815 -4.277 -0.225
570 HB3 GLN 63 1HB GLN 63 -11.684 -4.895 1.173
571 HG2 GLN 63 2HG GLN 63 -10.107 -6.817 1.220
572 HG3 GLN 63 1HG GLN 63 -9.190 -6.033 -0.064
573 HE21 GLN 63 1HE2 GLN 63 -7.363 -5.824 1.195
574 HE22 GLN 63 2HE2 GLN 63 -7.255 -4.708 2.506
575 H ASN 64 H ASN 64 -12.472 -4.572 -2.624
576 HA ASN 64 HA ASN 64 -15.055 -3.681 -1.563
577 HB2 ASN 64 2HB ASN 64 -14.961 -1.915 -3.266
578 HB3 ASN 64 1HB ASN 64 -13.509 -1.919 -2.277
579 HD21 ASN 64 1HD2 ASN 64 -12.379 -0.792 -3.877
580 HD22 ASN 64 2HD2 ASN 64 -11.847 -1.550 -5.346
581 H HIS 65 H HIS 65 -14.179 -6.244 -3.218
582 HA HIS 65 HA HIS 65 -15.833 -5.962 -5.579
583 HD1 HIS 65 HD1 HIS 65 -15.725 -9.876 -6.660
584 HD2 HIS 65 HD2 HIS 65 -14.012 -6.312 -7.948
585 HE1 HIS 65 HE1 HIS 65 -15.820 -9.942 -9.170
586 HE2 HIS 65 HE2 HIS 65 -14.885 -7.727 -9.924
587 HB2 HIS 65 2HB HIS 65 -13.559 -7.286 -5.246
588 HB3 HIS 65 1HB HIS 65 -14.656 -8.584 -4.786
589 H GLN 66 H GLN 66 -16.298 -6.906 -2.395
590 HA GLN 66 HA GLN 66 -18.083 -7.716 -1.259
591 HB2 GLN 66 2HB GLN 66 -19.519 -6.527 -2.852
592 HB3 GLN 66 1HB GLN 66 -19.439 -7.893 -3.956
593 HG2 GLN 66 2HG GLN 66 -20.527 -9.295 -2.239
594 HG3 GLN 66 1HG GLN 66 -20.684 -7.866 -1.218
595 HE21 GLN 66 1HE2 GLN 66 -22.743 -9.582 -2.323
596 HE22 GLN 66 2HE2 GLN 66 -23.771 -8.558 -3.268
597 H THR 67 H THR 67 -18.041 -9.527 -4.327
598 HA THR 67 HA THR 67 -17.378 -11.941 -2.791
599 HB THR 67 HB THR 67 -19.776 -12.048 -3.320
600 HG1 THR 67 HG1 THR 67 -19.266 -14.094 -3.475
601 HG21 THR 67 3HG2 THR 67 -18.914 -11.859 -6.207
602 HG22 THR 67 1HG2 THR 67 -19.797 -10.623 -5.310
603 HG23 THR 67 2HG2 THR 67 -20.552 -12.183 -5.639
604 H LYS 68 H LYS 68 -16.062 -13.445 -3.933
605 HA LYS 68 HA LYS 68 -14.983 -12.415 -6.460
606 HB2 LYS 68 2HB LYS 68 -13.558 -11.875 -4.413
607 HB3 LYS 68 1HB LYS 68 -13.235 -13.599 -4.311
608 HG2 LYS 68 2HG LYS 68 -12.093 -13.610 -6.377
609 HG3 LYS 68 1HG LYS 68 -12.668 -11.992 -6.788
610 HD2 LYS 68 2HD LYS 68 -10.361 -11.857 -6.093
611 HD3 LYS 68 1HD LYS 68 -11.378 -11.093 -4.871
612 HE2 LYS 68 2HE LYS 68 -9.812 -12.385 -3.675
613 HE3 LYS 68 1HE LYS 68 -11.314 -13.306 -3.636
614 HZ1 LYS 68 3HZ LYS 68 -8.903 -13.817 -5.273
615 HZ2 LYS 68 1HZ LYS 68 -10.398 -14.550 -5.610
616 HZ3 LYS 68 2HZ LYS 68 -9.625 -14.830 -4.126
617 H THR 69 H THR 69 -15.239 -15.198 -4.287
618 HA THR 69 HA THR 69 -15.774 -16.870 -6.589
619 HB THR 69 HB THR 69 -13.419 -17.185 -6.543
620 HG1 THR 69 HG1 THR 69 -14.494 -19.384 -5.082
621 HG21 THR 69 3HG2 THR 69 -13.642 -17.719 -3.581
622 HG22 THR 69 1HG2 THR 69 -12.918 -16.298 -4.332
623 HG23 THR 69 2HG2 THR 69 -12.175 -17.883 -4.548
624 H ALA 70 H ALA 70 -17.783 -17.358 -5.915
625 HA ALA 70 HA ALA 70 -18.209 -18.274 -3.182
626 HB1 ALA 70 3HB ALA 70 -20.578 -18.236 -3.732
627 HB2 ALA 70 1HB ALA 70 -20.194 -17.894 -5.419
628 HB3 ALA 70 2HB ALA 70 -19.812 -16.709 -4.170
629 H LEU 71 H LEU 71 -18.681 -19.477 -6.495
630 HA LEU 71 HA LEU 71 -18.697 -22.209 -5.385
631 HG LEU 71 HG LEU 71 -21.407 -20.796 -5.871
632 HB2 LEU 71 2HB LEU 71 -20.047 -21.140 -7.863
633 HB3 LEU 71 1HB LEU 71 -19.903 -22.847 -7.494
634 HD11 LEU 71 1HD1 LEU 71 -22.365 -23.119 -7.531
635 HD12 LEU 71 2HD1 LEU 71 -22.514 -21.412 -7.949
636 HD13 LEU 71 3HD1 LEU 71 -23.376 -22.056 -6.550
637 HD21 LEU 71 3HD2 LEU 71 -20.378 -22.496 -4.442
638 HD22 LEU 71 1HD2 LEU 71 -21.109 -23.766 -5.426
639 HD23 LEU 71 2HD2 LEU 71 -22.133 -22.670 -4.496
640 H GLU 72 H GLU 72 -16.305 -21.364 -5.590
641 HA GLU 72 HA GLU 72 -14.256 -21.910 -6.363
642 HB2 GLU 72 2HB GLU 72 -15.672 -23.687 -8.356
643 HB3 GLU 72 1HB GLU 72 -13.987 -23.791 -7.863
644 HG2 GLU 72 2HG GLU 72 -16.376 -24.287 -6.099
645 HG3 GLU 72 1HG GLU 72 -15.340 -25.519 -6.813
646 H HIS 73 H HIS 73 -16.301 -20.036 -7.890
647 HA HIS 73 HA HIS 73 -16.134 -18.395 -9.437
648 HD1 HIS 73 HD1 HIS 73 -12.506 -18.084 -11.944
649 HD2 HIS 73 HD2 HIS 73 -15.124 -15.791 -9.663
650 HE1 HIS 73 HE1 HIS 73 -12.596 -15.831 -13.068
651 HE2 HIS 73 HE2 HIS 73 -14.022 -14.410 -11.554
652 HB2 HIS 73 2HB HIS 73 -13.754 -18.246 -8.612
653 HB3 HIS 73 1HB HIS 73 -13.295 -19.297 -9.948
654 H HIS 74 H HIS 74 -14.299 -21.198 -10.663
655 HA HIS 74 HA HIS 74 -16.329 -21.521 -12.752
656 HD1 HIS 74 HD1 HIS 74 -12.844 -19.331 -14.740
657 HD2 HIS 74 HD2 HIS 74 -16.904 -20.227 -14.601
658 HE1 HIS 74 HE1 HIS 74 -13.996 -17.478 -15.996
659 HE2 HIS 74 HE2 HIS 74 -16.418 -18.174 -16.100
660 HB2 HIS 74 2HB HIS 74 -13.368 -21.252 -13.196
661 HB3 HIS 74 1HB HIS 74 -14.336 -22.255 -14.274
Start of MODEL 12
1 HA MET 1 HA MET 1 3.578 7.967 6.798
2 H1 MET 1 1H MET 1 3.389 10.264 7.484
3 H2 MET 1 2H MET 1 4.068 9.901 8.991
4 H3 MET 1 3H MET 1 2.567 9.242 8.558
5 HB2 MET 1 2HB MET 1 5.434 9.548 6.350
6 HB3 MET 1 1HB MET 1 6.175 9.090 7.876
7 HG2 MET 1 2HG MET 1 6.452 6.808 7.071
8 HG3 MET 1 1HG MET 1 5.681 7.245 5.549
9 HE1 MET 1 3HE MET 1 8.845 7.577 7.814
10 HE2 MET 1 1HE MET 1 8.279 9.246 7.752
11 HE3 MET 1 2HE MET 1 9.791 8.798 6.962
12 H ARG 2 H ARG 2 3.399 5.929 7.483
13 HA ARG 2 HA ARG 2 4.390 5.310 10.200
14 HE ARG 2 HE ARG 2 1.119 2.506 12.984
15 HB2 ARG 2 2HB ARG 2 1.890 5.017 9.652
16 HB3 ARG 2 1HB ARG 2 2.392 3.641 8.678
17 HG2 ARG 2 2HG ARG 2 3.488 2.703 10.724
18 HG3 ARG 2 1HG ARG 2 2.736 4.004 11.645
19 HD2 ARG 2 2HD ARG 2 0.521 3.196 10.745
20 HD3 ARG 2 1HD ARG 2 1.378 1.784 10.132
21 HH11 ARG 2 1HH1 ARG 2 1.659 0.107 10.480
22 HH12 ARG 2 2HH1 ARG 2 1.539 -1.236 11.574
23 HH21 ARG 2 1HH2 ARG 2 0.973 0.730 14.410
24 HH22 ARG 2 2HH2 ARG 2 1.170 -0.885 13.786
25 H VAL 3 H VAL 3 5.454 3.267 10.523
26 HA VAL 3 HA VAL 3 6.840 2.362 8.087
27 HB VAL 3 HB VAL 3 7.710 2.069 10.972
28 HG11 VAL 3 1HG1 VAL 3 9.199 1.493 8.412
29 HG12 VAL 3 2HG1 VAL 3 8.583 0.293 9.548
30 HG13 VAL 3 3HG1 VAL 3 9.870 1.395 10.040
31 HG21 VAL 3 3HG2 VAL 3 8.684 3.968 8.837
32 HG22 VAL 3 1HG2 VAL 3 9.382 3.779 10.447
33 HG23 VAL 3 2HG2 VAL 3 7.741 4.399 10.264
34 H PHE 4 H PHE 4 6.793 0.267 7.472
35 HA PHE 4 HA PHE 4 5.445 -1.660 9.254
36 HD1 PHE 4 HD1 PHE 4 3.856 0.807 7.199
37 HD2 PHE 4 HD2 PHE 4 2.704 -3.200 8.051
38 HE1 PHE 4 HE1 PHE 4 1.598 1.584 7.795
39 HE2 PHE 4 HE2 PHE 4 0.448 -2.431 8.646
40 HZ PHE 4 HZ PHE 4 -0.109 -0.035 8.518
41 HB2 PHE 4 2HB PHE 4 5.094 -1.233 6.299
42 HB3 PHE 4 1HB PHE 4 4.748 -2.795 7.033
43 HA PRO 5 HA PRO 5 9.502 -3.543 8.406
44 HB2 PRO 5 2HB PRO 5 9.242 -4.744 11.027
45 HB3 PRO 5 1HB PRO 5 10.409 -3.540 10.476
46 HG2 PRO 5 2HG PRO 5 8.437 -3.013 12.293
47 HG3 PRO 5 1HG PRO 5 9.145 -1.787 11.227
48 HD2 PRO 5 2HD PRO 5 6.558 -3.270 10.954
49 HD3 PRO 5 1HD PRO 5 6.922 -1.561 10.629
50 H VAL 6 H VAL 6 6.429 -4.828 9.292
51 HA VAL 6 HA VAL 6 7.299 -7.581 8.877
52 HB VAL 6 HB VAL 6 5.872 -7.149 10.817
53 HG11 VAL 6 1HG1 VAL 6 4.588 -5.270 10.032
54 HG12 VAL 6 2HG1 VAL 6 3.494 -6.567 10.516
55 HG13 VAL 6 3HG1 VAL 6 3.808 -6.268 8.805
56 HG21 VAL 6 3HG2 VAL 6 4.167 -8.880 10.401
57 HG22 VAL 6 1HG2 VAL 6 5.770 -9.341 9.824
58 HG23 VAL 6 2HG2 VAL 6 4.543 -8.802 8.678
59 H TYR 7 H TYR 7 5.464 -5.065 7.328
60 HA TYR 7 HA TYR 7 4.320 -4.890 5.383
61 HD1 TYR 7 HD1 TYR 7 4.586 -4.407 2.758
62 HD2 TYR 7 HD2 TYR 7 4.868 -8.642 3.089
63 HE1 TYR 7 HE1 TYR 7 3.417 -4.652 0.607
64 HE2 TYR 7 HE2 TYR 7 3.704 -8.895 0.943
65 HH TYR 7 HH TYR 7 2.175 -7.649 -0.489
66 HB2 TYR 7 2HB TYR 7 6.329 -5.646 4.274
67 HB3 TYR 7 1HB TYR 7 5.964 -7.324 4.655
68 H ALA 8 H ALA 8 2.306 -5.196 6.220
69 HA ALA 8 HA ALA 8 1.168 -7.888 5.871
70 HB1 ALA 8 3HB ALA 8 -0.431 -7.355 7.635
71 HB2 ALA 8 1HB ALA 8 0.309 -5.767 7.837
72 HB3 ALA 8 2HB ALA 8 1.226 -7.222 8.226
73 HA PRO 9 HA PRO 9 -0.621 -5.758 2.346
74 HB2 PRO 9 2HB PRO 9 -2.291 -8.231 2.561
75 HB3 PRO 9 1HB PRO 9 -1.572 -7.485 1.130
76 HG2 PRO 9 2HG PRO 9 -0.438 -9.609 2.233
77 HG3 PRO 9 1HG PRO 9 0.556 -8.269 1.627
78 HD2 PRO 9 2HD PRO 9 -0.096 -9.030 4.431
79 HD3 PRO 9 1HD PRO 9 1.367 -8.271 3.775
80 H LYS 10 H LYS 10 -2.967 -7.548 4.365
81 HA LYS 10 HA LYS 10 -5.111 -5.842 3.705
82 HB2 LYS 10 2HB LYS 10 -4.811 -7.696 6.076
83 HB3 LYS 10 1HB LYS 10 -6.320 -6.963 5.543
84 HG2 LYS 10 2HG LYS 10 -6.114 -8.153 3.402
85 HG3 LYS 10 1HG LYS 10 -4.643 -8.927 3.997
86 HD2 LYS 10 2HD LYS 10 -5.936 -9.909 5.844
87 HD3 LYS 10 1HD LYS 10 -7.400 -9.166 5.196
88 HE2 LYS 10 2HE LYS 10 -5.671 -11.220 3.825
89 HE3 LYS 10 1HE LYS 10 -7.262 -11.502 4.532
90 HZ1 LYS 10 3HZ LYS 10 -8.129 -9.831 2.916
91 HZ2 LYS 10 1HZ LYS 10 -7.537 -11.255 2.207
92 HZ3 LYS 10 2HZ LYS 10 -6.610 -9.840 2.166
93 H LEU 11 H LEU 11 -2.878 -5.890 6.429
94 HA LEU 11 HA LEU 11 -4.135 -3.947 8.020
95 HG LEU 11 HG LEU 11 -3.088 -4.154 10.220
96 HB2 LEU 11 2HB LEU 11 -2.038 -5.531 8.396
97 HB3 LEU 11 1HB LEU 11 -1.157 -4.103 7.894
98 HD11 LEU 11 1HD1 LEU 11 -1.210 -5.640 10.660
99 HD12 LEU 11 2HD1 LEU 11 -1.086 -4.178 11.638
100 HD13 LEU 11 3HD1 LEU 11 -0.078 -4.368 10.203
101 HD21 LEU 11 3HD2 LEU 11 -0.990 -2.142 9.406
102 HD22 LEU 11 1HD2 LEU 11 -2.018 -2.054 10.837
103 HD23 LEU 11 2HD2 LEU 11 -2.733 -1.938 9.229
104 H ILE 12 H ILE 12 -1.670 -3.648 5.479
105 HA ILE 12 HA ILE 12 -1.395 -0.838 5.637
106 HB ILE 12 HB ILE 12 -0.891 -2.659 3.272
107 HG12 ILE 12 2HG1 ILE 12 1.005 -1.569 5.370
108 HG13 ILE 12 1HG1 ILE 12 0.423 -3.228 5.296
109 HG21 ILE 12 1HG2 ILE 12 -1.119 -0.346 2.565
110 HG22 ILE 12 2HG2 ILE 12 0.571 -0.844 2.470
111 HG23 ILE 12 3HG2 ILE 12 0.023 0.169 3.807
112 HD11 ILE 12 3HD1 ILE 12 1.544 -3.534 3.159
113 HD12 ILE 12 1HD1 ILE 12 2.679 -3.026 4.409
114 HD13 ILE 12 2HD1 ILE 12 2.109 -1.865 3.210
115 H VAL 13 H VAL 13 -3.311 -2.896 3.448
116 HA VAL 13 HA VAL 13 -4.428 -0.880 1.879
117 HB VAL 13 HB VAL 13 -5.550 -3.586 2.626
118 HG11 VAL 13 1HG1 VAL 13 -7.090 -3.371 0.769
119 HG12 VAL 13 2HG1 VAL 13 -6.473 -1.755 0.412
120 HG13 VAL 13 3HG1 VAL 13 -7.350 -2.053 1.914
121 HG21 VAL 13 3HG2 VAL 13 -4.777 -4.209 0.371
122 HG22 VAL 13 1HG2 VAL 13 -3.453 -3.679 1.409
123 HG23 VAL 13 2HG2 VAL 13 -4.095 -2.594 0.175
124 H LYS 14 H LYS 14 -5.674 -2.336 4.870
125 HA LYS 14 HA LYS 14 -8.121 -0.943 4.882
126 HB2 LYS 14 2HB LYS 14 -7.665 -2.972 6.224
127 HB3 LYS 14 1HB LYS 14 -6.591 -2.032 7.249
128 HG2 LYS 14 2HG LYS 14 -8.489 -0.601 7.888
129 HG3 LYS 14 1HG LYS 14 -9.552 -1.610 6.908
130 HD2 LYS 14 2HD LYS 14 -9.661 -2.217 9.280
131 HD3 LYS 14 1HD LYS 14 -9.028 -3.540 8.301
132 HE2 LYS 14 2HE LYS 14 -6.785 -3.064 8.994
133 HE3 LYS 14 1HE LYS 14 -7.297 -1.584 9.802
134 HZ1 LYS 14 3HZ LYS 14 -8.195 -4.302 10.584
135 HZ2 LYS 14 1HZ LYS 14 -8.494 -2.851 11.409
136 HZ3 LYS 14 2HZ LYS 14 -6.915 -3.471 11.321
137 H HIS 15 H HIS 15 -4.951 -0.136 6.225
138 HA HIS 15 HA HIS 15 -5.939 2.203 7.571
139 HD1 HIS 15 HD1 HIS 15 -3.248 2.807 10.173
140 HD2 HIS 15 HD2 HIS 15 -4.918 -0.771 8.866
141 HE1 HIS 15 HE1 HIS 15 -3.736 1.488 12.252
142 HE2 HIS 15 HE2 HIS 15 -4.875 -0.611 11.443
143 HB2 HIS 15 2HB HIS 15 -3.214 1.050 7.098
144 HB3 HIS 15 1HB HIS 15 -3.385 2.695 7.697
145 H ALA 16 H ALA 16 -4.607 1.468 4.441
146 HA ALA 16 HA ALA 16 -3.877 4.052 3.612
147 HB1 ALA 16 3HB ALA 16 -3.258 2.021 2.382
148 HB2 ALA 16 1HB ALA 16 -4.054 3.197 1.336
149 HB3 ALA 16 2HB ALA 16 -4.943 1.790 1.920
150 H ARG 17 H ARG 17 -6.972 2.545 3.984
151 HA ARG 17 HA ARG 17 -8.570 4.196 2.391
152 HE ARG 17 HE ARG 17 -13.422 3.488 3.339
153 HB2 ARG 17 2HB ARG 17 -9.335 2.139 3.568
154 HB3 ARG 17 1HB ARG 17 -9.259 3.012 5.092
155 HG2 ARG 17 2HG ARG 17 -10.965 4.568 4.274
156 HG3 ARG 17 1HG ARG 17 -11.052 3.658 2.763
157 HD2 ARG 17 2HD ARG 17 -11.685 1.651 4.057
158 HD3 ARG 17 1HD ARG 17 -11.687 2.625 5.527
159 HH11 ARG 17 1HH1 ARG 17 -13.096 1.881 6.442
160 HH12 ARG 17 2HH1 ARG 17 -14.793 1.995 6.818
161 HH21 ARG 17 1HH2 ARG 17 -15.637 3.646 3.829
162 HH22 ARG 17 2HH2 ARG 17 -16.240 3.009 5.327
163 H ILE 18 H ILE 18 -7.197 4.663 5.582
164 HA ILE 18 HA ILE 18 -8.469 7.270 5.909
165 HB ILE 18 HB ILE 18 -6.418 5.942 7.698
166 HG12 ILE 18 2HG1 ILE 18 -9.435 5.837 7.940
167 HG13 ILE 18 1HG1 ILE 18 -8.432 4.506 7.375
168 HG21 ILE 18 1HG2 ILE 18 -7.341 7.416 9.426
169 HG22 ILE 18 2HG2 ILE 18 -8.433 8.125 8.237
170 HG23 ILE 18 3HG2 ILE 18 -6.689 8.335 8.068
171 HD11 ILE 18 3HD1 ILE 18 -9.061 4.197 9.691
172 HD12 ILE 18 1HD1 ILE 18 -8.343 5.752 10.112
173 HD13 ILE 18 2HD1 ILE 18 -7.319 4.430 9.550
174 H PHE 19 H PHE 19 -5.341 5.815 5.347
175 HA PHE 19 HA PHE 19 -3.914 8.317 5.336
176 HD1 PHE 19 HD2 PHE 19 -2.427 8.456 6.909
177 HD2 PHE 19 HD1 PHE 19 -2.679 4.224 6.596
178 HE1 PHE 19 HE2 PHE 19 -1.979 8.261 9.318
179 HE2 PHE 19 HE1 PHE 19 -2.235 4.016 9.008
180 HZ PHE 19 HZ PHE 19 -1.885 6.038 10.372
181 HB2 PHE 19 2HB PHE 19 -3.051 5.491 4.729
182 HB3 PHE 19 1HB PHE 19 -1.969 6.877 4.648
183 H LEU 20 H LEU 20 -6.040 7.358 3.289
184 HA LEU 20 HA LEU 20 -5.644 6.897 0.833
185 HG LEU 20 HG LEU 20 -7.129 8.761 -0.892
186 HB2 LEU 20 2HB LEU 20 -7.580 8.125 2.021
187 HB3 LEU 20 1HB LEU 20 -6.841 9.581 1.388
188 HD11 LEU 20 1HD1 LEU 20 -8.425 6.724 -1.279
189 HD12 LEU 20 2HD1 LEU 20 -8.407 6.393 0.456
190 HD13 LEU 20 3HD1 LEU 20 -6.898 6.399 -0.462
191 HD21 LEU 20 3HD2 LEU 20 -9.617 8.620 0.795
192 HD22 LEU 20 1HD2 LEU 20 -9.590 8.772 -0.960
193 HD23 LEU 20 2HD2 LEU 20 -8.932 10.064 0.047
194 H THR 21 H THR 21 -4.521 10.121 1.998
195 HA THR 21 HA THR 21 -2.611 9.953 -0.228
196 HB THR 21 HB THR 21 -4.093 11.714 -0.844
197 HG1 THR 21 HG1 THR 21 -2.014 12.275 -1.312
198 HG21 THR 21 3HG2 THR 21 -5.097 12.182 1.323
199 HG22 THR 21 1HG2 THR 21 -4.530 13.669 0.560
200 HG23 THR 21 2HG2 THR 21 -3.600 12.939 1.868
201 H GLY 22 H GLY 22 -1.216 8.874 1.196
202 HA2 GLY 22 2HA GLY 22 0.308 10.628 2.950
203 HA3 GLY 22 1HA GLY 22 -0.486 9.266 3.719
204 H VAL 23 H VAL 23 1.905 8.928 4.244
205 HA VAL 23 HA VAL 23 3.140 7.342 2.088
206 HB VAL 23 HB VAL 23 4.661 9.007 4.099
207 HG11 VAL 23 1HG1 VAL 23 5.580 7.519 1.642
208 HG12 VAL 23 2HG1 VAL 23 5.892 7.058 3.316
209 HG13 VAL 23 3HG1 VAL 23 6.594 8.539 2.663
210 HG21 VAL 23 3HG2 VAL 23 4.123 9.581 1.188
211 HG22 VAL 23 1HG2 VAL 23 5.187 10.512 2.242
212 HG23 VAL 23 2HG2 VAL 23 3.453 10.463 2.560
213 H ILE 24 H ILE 24 3.870 5.381 2.608
214 HA ILE 24 HA ILE 24 4.101 4.662 5.453
215 HB ILE 24 HB ILE 24 2.739 3.149 3.242
216 HG12 ILE 24 2HG1 ILE 24 2.026 3.753 6.119
217 HG13 ILE 24 1HG1 ILE 24 1.361 4.545 4.695
218 HG21 ILE 24 1HG2 ILE 24 2.751 1.134 4.646
219 HG22 ILE 24 2HG2 ILE 24 3.857 1.937 5.761
220 HG23 ILE 24 3HG2 ILE 24 4.368 1.589 4.109
221 HD11 ILE 24 3HD1 ILE 24 1.006 1.645 5.416
222 HD12 ILE 24 1HD1 ILE 24 0.320 2.456 4.008
223 HD13 ILE 24 2HD1 ILE 24 -0.190 2.922 5.630
224 H TRP 25 H TRP 25 6.044 3.899 5.970
225 HA TRP 25 HA TRP 25 7.927 3.354 3.798
226 HD1 TRP 25 HD1 TRP 25 10.449 1.700 5.358
227 HE1 TRP 25 HE1 TRP 25 12.800 2.328 4.527
228 HE3 TRP 25 HE3 TRP 25 9.868 6.769 5.088
229 HZ2 TRP 25 HZ2 TRP 25 14.223 4.672 3.857
230 HZ3 TRP 25 HZ3 TRP 25 11.777 8.134 4.348
231 HH2 TRP 25 HH2 TRP 25 13.908 7.105 3.747
232 HB2 TRP 25 2HB TRP 25 8.406 4.992 5.731
233 HB3 TRP 25 1HB TRP 25 8.603 3.560 6.733
234 H VAL 26 H VAL 26 8.012 1.298 3.188
235 HA VAL 26 HA VAL 26 7.675 -0.806 5.215
236 HB VAL 26 HB VAL 26 7.773 -1.255 2.244
237 HG11 VAL 26 1HG1 VAL 26 6.480 -3.263 2.787
238 HG12 VAL 26 2HG1 VAL 26 6.542 -2.826 4.494
239 HG13 VAL 26 3HG1 VAL 26 8.028 -3.224 3.632
240 HG21 VAL 26 3HG2 VAL 26 5.306 -0.671 3.874
241 HG22 VAL 26 1HG2 VAL 26 5.333 -1.156 2.178
242 HG23 VAL 26 2HG2 VAL 26 6.015 0.398 2.664
243 H LYS 27 H LYS 27 9.195 -2.514 5.309
244 HA LYS 27 HA LYS 27 11.900 -1.688 4.872
245 HB2 LYS 27 2HB LYS 27 12.434 -3.928 5.852
246 HB3 LYS 27 1HB LYS 27 11.400 -2.932 6.859
247 HG2 LYS 27 2HG LYS 27 10.382 -4.977 7.035
248 HG3 LYS 27 1HG LYS 27 9.470 -4.252 5.716
249 HD2 LYS 27 2HD LYS 27 11.014 -5.437 4.124
250 HD3 LYS 27 1HD LYS 27 11.686 -6.284 5.518
251 HE2 LYS 27 2HE LYS 27 9.448 -7.158 6.040
252 HE3 LYS 27 1HE LYS 27 8.810 -6.345 4.614
253 HZ1 LYS 27 3HZ LYS 27 10.517 -7.697 3.330
254 HZ2 LYS 27 1HZ LYS 27 9.180 -8.539 3.958
255 HZ3 LYS 27 2HZ LYS 27 10.682 -8.630 4.740
256 H ASP 28 H ASP 28 9.654 -2.966 2.857
257 HA ASP 28 HA ASP 28 11.503 -4.737 1.434
258 HB2 ASP 28 2HB ASP 28 9.325 -5.681 2.085
259 HB3 ASP 28 1HB ASP 28 8.505 -4.428 1.162
260 H LEU 29 H LEU 29 9.323 -1.987 0.896
261 HA LEU 29 HA LEU 29 10.465 -1.706 -1.802
262 HG LEU 29 HG LEU 29 7.685 -3.086 -0.895
263 HB2 LEU 29 2HB LEU 29 7.831 -0.638 -0.790
264 HB3 LEU 29 1HB LEU 29 8.415 -0.599 -2.443
265 HD11 LEU 29 1HD1 LEU 29 5.793 -3.218 -2.393
266 HD12 LEU 29 2HD1 LEU 29 6.299 -1.735 -3.203
267 HD13 LEU 29 3HD1 LEU 29 5.771 -1.686 -1.522
268 HD21 LEU 29 3HD2 LEU 29 8.650 -2.699 -3.725
269 HD22 LEU 29 1HD2 LEU 29 7.934 -4.192 -3.112
270 HD23 LEU 29 2HD2 LEU 29 9.448 -3.595 -2.435
271 H GLY 30 H GLY 30 10.430 -0.311 1.256
272 HA2 GLY 30 2HA GLY 30 11.607 1.627 1.884
273 HA3 GLY 30 1HA GLY 30 11.543 2.179 0.214
274 H ARG 31 H ARG 31 10.756 4.230 0.776
275 HA ARG 31 HA ARG 31 8.324 4.437 2.317
276 HE ARG 31 HE ARG 31 10.433 9.128 -0.974
277 HB2 ARG 31 2HB ARG 31 8.553 6.835 2.047
278 HB3 ARG 31 1HB ARG 31 10.097 6.143 2.516
279 HG2 ARG 31 2HG ARG 31 10.804 6.229 0.142
280 HG3 ARG 31 1HG ARG 31 9.291 7.050 -0.240
281 HD2 ARG 31 2HD ARG 31 9.930 8.798 1.443
282 HD3 ARG 31 1HD ARG 31 11.512 8.024 1.542
283 HH11 ARG 31 1HH1 ARG 31 13.025 8.717 1.333
284 HH12 ARG 31 2HH1 ARG 31 14.171 9.632 0.413
285 HH21 ARG 31 1HH2 ARG 31 11.952 10.328 -2.222
286 HH22 ARG 31 2HH2 ARG 31 13.564 10.552 -1.606
287 H LEU 32 H LEU 32 6.370 4.246 1.511
288 HA LEU 32 HA LEU 32 6.016 4.573 -1.397
289 HG LEU 32 HG LEU 32 6.561 1.839 0.020
290 HB2 LEU 32 2HB LEU 32 4.423 2.926 0.570
291 HB3 LEU 32 1HB LEU 32 4.064 3.078 -1.139
292 HD11 LEU 32 1HD1 LEU 32 4.171 0.573 -1.311
293 HD12 LEU 32 2HD1 LEU 32 4.557 0.495 0.409
294 HD13 LEU 32 3HD1 LEU 32 5.628 -0.264 -0.770
295 HD21 LEU 32 3HD2 LEU 32 5.592 1.998 -2.835
296 HD22 LEU 32 1HD2 LEU 32 7.024 1.139 -2.267
297 HD23 LEU 32 2HD2 LEU 32 6.951 2.898 -2.155
298 H GLU 33 H GLU 33 5.041 6.427 -1.902
299 HA GLU 33 HA GLU 33 3.018 7.510 -0.087
300 HB2 GLU 33 2HB GLU 33 4.712 9.082 -0.983
301 HB3 GLU 33 1HB GLU 33 4.161 8.718 -2.612
302 HG2 GLU 33 2HG GLU 33 1.947 9.601 -2.055
303 HG3 GLU 33 1HG GLU 33 2.514 9.985 -0.431
304 H PHE 34 H PHE 34 0.922 7.539 -0.590
305 HA PHE 34 HA PHE 34 0.116 6.515 -3.212
306 HD1 PHE 34 HD1 PHE 34 -2.470 6.222 0.271
307 HD2 PHE 34 HD2 PHE 34 1.298 4.298 -0.166
308 HE1 PHE 34 HE1 PHE 34 -2.271 6.056 2.716
309 HE2 PHE 34 HE2 PHE 34 1.500 4.127 2.277
310 HZ PHE 34 HZ PHE 34 -0.286 5.003 3.720
311 HB2 PHE 34 2HB PHE 34 -1.764 5.290 -1.856
312 HB3 PHE 34 1HB PHE 34 -0.180 4.552 -2.034
313 H GLU 35 H GLU 35 -1.959 7.096 -3.886
314 HA GLU 35 HA GLU 35 -3.146 9.360 -2.448
315 HB2 GLU 35 2HB GLU 35 -1.647 10.342 -4.070
316 HB3 GLU 35 1HB GLU 35 -2.300 9.324 -5.348
317 HG2 GLU 35 2HG GLU 35 -4.504 10.430 -4.990
318 HG3 GLU 35 1HG GLU 35 -3.697 11.552 -3.895
319 H LYS 36 H LYS 36 -5.241 9.122 -2.260
320 HA LYS 36 HA LYS 36 -7.388 8.461 -2.561
321 HB2 LYS 36 2HB LYS 36 -6.644 8.492 -5.495
322 HB3 LYS 36 1HB LYS 36 -8.278 8.498 -4.847
323 HG2 LYS 36 2HG LYS 36 -6.215 10.675 -4.606
324 HG3 LYS 36 1HG LYS 36 -7.715 10.717 -5.533
325 HD2 LYS 36 2HD LYS 36 -7.543 10.460 -2.533
326 HD3 LYS 36 1HD LYS 36 -7.834 11.969 -3.397
327 HE2 LYS 36 2HE LYS 36 -9.590 9.518 -3.455
328 HE3 LYS 36 1HE LYS 36 -9.913 11.003 -2.564
329 HZ1 LYS 36 3HZ LYS 36 -11.159 11.159 -4.517
330 HZ2 LYS 36 1HZ LYS 36 -9.890 10.601 -5.495
331 HZ3 LYS 36 2HZ LYS 36 -9.808 12.145 -4.799
332 H GLY 37 H GLY 37 -5.660 6.441 -1.876
333 HA2 GLY 37 2HA GLY 37 -5.951 4.169 -1.576
334 HA3 GLY 37 1HA GLY 37 -7.171 4.178 -2.837
335 H ARG 38 H ARG 38 -4.736 5.687 -4.297
336 HA ARG 38 HA ARG 38 -3.831 3.203 -5.595
337 HE ARG 38 HE ARG 38 -6.511 7.240 -7.750
338 HB2 ARG 38 2HB ARG 38 -3.765 6.102 -6.470
339 HB3 ARG 38 1HB ARG 38 -2.972 4.809 -7.357
340 HG2 ARG 38 2HG ARG 38 -5.057 3.770 -7.853
341 HG3 ARG 38 1HG ARG 38 -5.921 4.867 -6.768
342 HD2 ARG 38 2HD ARG 38 -4.363 5.801 -9.173
343 HD3 ARG 38 1HD ARG 38 -6.081 5.405 -9.230
344 HH11 ARG 38 1HH1 ARG 38 -3.240 7.112 -9.018
345 HH12 ARG 38 2HH1 ARG 38 -2.911 8.788 -8.669
346 HH21 ARG 38 1HH2 ARG 38 -6.079 9.426 -7.303
347 HH22 ARG 38 2HH2 ARG 38 -4.520 10.105 -7.671
348 H PHE 39 H PHE 39 -1.996 2.448 -5.282
349 HA PHE 39 HA PHE 39 -0.094 3.648 -3.546
350 HD1 PHE 39 HD1 PHE 39 1.669 1.775 -2.080
351 HD2 PHE 39 HD2 PHE 39 -2.156 0.486 -3.425
352 HE1 PHE 39 HE1 PHE 39 1.141 0.989 0.190
353 HE2 PHE 39 HE2 PHE 39 -2.693 -0.302 -1.157
354 HZ PHE 39 HZ PHE 39 -1.043 -0.051 0.655
355 HB2 PHE 39 2HB PHE 39 -0.507 1.111 -4.985
356 HB3 PHE 39 1HB PHE 39 1.157 1.474 -4.494
357 H LEU 40 H LEU 40 -0.722 4.286 -6.673
358 HA LEU 40 HA LEU 40 0.352 5.405 -8.328
359 HG LEU 40 HG LEU 40 0.377 6.725 -5.317
360 HB2 LEU 40 2HB LEU 40 2.476 5.923 -6.243
361 HB3 LEU 40 1HB LEU 40 2.210 6.838 -7.714
362 HD11 LEU 40 1HD1 LEU 40 0.935 9.098 -5.102
363 HD12 LEU 40 2HD1 LEU 40 2.056 8.955 -6.454
364 HD13 LEU 40 3HD1 LEU 40 2.363 8.075 -4.956
365 HD21 LEU 40 3HD2 LEU 40 -0.958 8.413 -6.503
366 HD22 LEU 40 1HD2 LEU 40 -0.934 6.867 -7.353
367 HD23 LEU 40 2HD2 LEU 40 0.064 8.205 -7.926
368 H LEU 41 H LEU 41 3.129 5.714 -8.811
369 HA LEU 41 HA LEU 41 4.320 3.098 -8.711
370 HG LEU 41 HG LEU 41 3.468 5.583 -11.318
371 HB2 LEU 41 2HB LEU 41 4.712 2.896 -11.088
372 HB3 LEU 41 1HB LEU 41 2.993 3.002 -10.778
373 HD11 LEU 41 1HD1 LEU 41 5.870 5.228 -11.681
374 HD12 LEU 41 2HD1 LEU 41 5.058 5.804 -13.138
375 HD13 LEU 41 3HD1 LEU 41 5.499 4.102 -12.990
376 HD21 LEU 41 3HD2 LEU 41 1.814 4.153 -12.401
377 HD22 LEU 41 1HD2 LEU 41 3.082 3.416 -13.383
378 HD23 LEU 41 2HD2 LEU 41 2.687 5.123 -13.586
379 HA PRO 42 HA PRO 42 7.757 5.898 -8.147
380 HB2 PRO 42 2HB PRO 42 9.387 3.498 -7.924
381 HB3 PRO 42 1HB PRO 42 8.989 4.685 -6.682
382 HG2 PRO 42 2HG PRO 42 8.027 2.140 -6.672
383 HG3 PRO 42 1HG PRO 42 7.161 3.513 -5.962
384 HD2 PRO 42 2HD PRO 42 6.720 2.150 -8.586
385 HD3 PRO 42 1HD PRO 42 5.535 2.784 -7.432
386 H ARG 43 H ARG 43 8.396 6.822 -9.969
387 HA ARG 43 HA ARG 43 8.607 5.488 -12.437
388 HE ARG 43 HE ARG 43 7.125 9.242 -14.471
389 HB2 ARG 43 2HB ARG 43 8.016 7.882 -12.123
390 HB3 ARG 43 1HB ARG 43 9.684 8.207 -11.675
391 HG2 ARG 43 2HG ARG 43 10.421 7.514 -13.894
392 HG3 ARG 43 1HG ARG 43 8.749 7.176 -14.344
393 HD2 ARG 43 2HD ARG 43 9.861 9.858 -13.534
394 HD3 ARG 43 1HD ARG 43 9.469 9.353 -15.178
395 HH11 ARG 43 1HH1 ARG 43 9.352 11.059 -12.462
396 HH12 ARG 43 2HH1 ARG 43 8.106 12.072 -11.789
397 HH21 ARG 43 1HH2 ARG 43 5.493 10.569 -13.591
398 HH22 ARG 43 2HH2 ARG 43 5.913 11.801 -12.434
399 H LYS 44 H LYS 44 10.955 6.119 -9.956
400 HA LYS 44 HA LYS 44 13.186 5.689 -11.775
401 HB2 LYS 44 2HB LYS 44 14.610 6.219 -9.869
402 HB3 LYS 44 1HB LYS 44 13.371 7.447 -10.077
403 HG2 LYS 44 2HG LYS 44 12.088 6.509 -8.253
404 HG3 LYS 44 1HG LYS 44 13.256 5.200 -8.079
405 HD2 LYS 44 2HD LYS 44 13.825 8.136 -7.667
406 HD3 LYS 44 1HD LYS 44 13.582 6.946 -6.391
407 HE2 LYS 44 2HE LYS 44 15.872 7.001 -6.482
408 HE3 LYS 44 1HE LYS 44 15.534 5.694 -7.613
409 HZ1 LYS 44 3HZ LYS 44 16.138 8.517 -8.315
410 HZ2 LYS 44 1HZ LYS 44 15.731 7.313 -9.438
411 HZ3 LYS 44 2HZ LYS 44 17.157 7.184 -8.538
412 H SER 45 H SER 45 11.249 3.843 -9.625
413 HA SER 45 HA SER 45 12.848 1.490 -10.090
414 HG SER 45 HG SER 45 14.422 2.909 -9.035
415 HB2 SER 45 2HB SER 45 12.458 2.479 -7.253
416 HB3 SER 45 1HB SER 45 13.181 0.939 -7.719
417 H LEU 46 H LEU 46 11.222 0.248 -10.821
418 HA LEU 46 HA LEU 46 8.927 -0.093 -9.052
419 HG LEU 46 HG LEU 46 9.881 0.807 -12.440
420 HB2 LEU 46 2HB LEU 46 7.460 -0.291 -11.073
421 HB3 LEU 46 1HB LEU 46 8.032 1.309 -10.660
422 HD11 LEU 46 1HD1 LEU 46 7.686 -1.054 -13.329
423 HD12 LEU 46 2HD1 LEU 46 9.289 -1.540 -12.774
424 HD13 LEU 46 3HD1 LEU 46 9.115 -0.606 -14.260
425 HD21 LEU 46 3HD2 LEU 46 8.433 1.760 -14.173
426 HD22 LEU 46 1HD2 LEU 46 8.231 2.575 -12.622
427 HD23 LEU 46 2HD2 LEU 46 7.022 1.415 -13.173
428 HA PRO 47 HA PRO 47 9.905 -4.222 -11.741
429 HB2 PRO 47 2HB PRO 47 12.639 -4.197 -10.520
430 HB3 PRO 47 1HB PRO 47 12.080 -4.960 -12.015
431 HG2 PRO 47 2HG PRO 47 13.426 -2.680 -12.113
432 HG3 PRO 47 1HG PRO 47 12.037 -2.948 -13.182
433 HD2 PRO 47 2HD PRO 47 12.255 -1.248 -10.751
434 HD3 PRO 47 1HD PRO 47 11.286 -1.008 -12.216
435 H LYS 48 H LYS 48 11.301 -3.256 -8.619
436 HA LYS 48 HA LYS 48 10.560 -5.749 -7.359
437 HB2 LYS 48 2HB LYS 48 12.594 -4.558 -6.654
438 HB3 LYS 48 1HB LYS 48 11.625 -3.171 -6.176
439 HG2 LYS 48 2HG LYS 48 10.458 -4.680 -4.545
440 HG3 LYS 48 1HG LYS 48 11.673 -5.903 -4.922
441 HD2 LYS 48 2HD LYS 48 12.234 -3.143 -3.841
442 HD3 LYS 48 1HD LYS 48 12.222 -4.631 -2.893
443 HE2 LYS 48 2HE LYS 48 14.045 -5.504 -4.325
444 HE3 LYS 48 1HE LYS 48 14.090 -3.954 -5.162
445 HZ1 LYS 48 3HZ LYS 48 14.589 -2.899 -2.999
446 HZ2 LYS 48 1HZ LYS 48 15.787 -3.992 -3.498
447 HZ3 LYS 48 2HZ LYS 48 14.680 -4.435 -2.293
448 H VAL 49 H VAL 49 9.345 -2.480 -7.582
449 HA VAL 49 HA VAL 49 7.690 -2.692 -5.245
450 HB VAL 49 HB VAL 49 7.718 -0.498 -7.317
451 HG11 VAL 49 1HG1 VAL 49 5.803 -0.427 -5.818
452 HG12 VAL 49 2HG1 VAL 49 6.914 0.901 -5.474
453 HG13 VAL 49 3HG1 VAL 49 6.878 -0.515 -4.424
454 HG21 VAL 49 3HG2 VAL 49 9.378 -0.755 -4.812
455 HG22 VAL 49 1HG2 VAL 49 9.328 0.645 -5.884
456 HG23 VAL 49 2HG2 VAL 49 9.976 -0.890 -6.466
457 H LYS 50 H LYS 50 7.181 -2.665 -8.743
458 HA LYS 50 HA LYS 50 4.365 -2.468 -8.697
459 HB2 LYS 50 2HB LYS 50 5.764 -2.006 -10.686
460 HB3 LYS 50 1HB LYS 50 6.138 -3.720 -10.802
461 HG2 LYS 50 2HG LYS 50 3.804 -4.223 -11.220
462 HG3 LYS 50 1HG LYS 50 3.390 -2.517 -11.045
463 HD2 LYS 50 2HD LYS 50 4.744 -1.961 -12.980
464 HD3 LYS 50 1HD LYS 50 5.257 -3.643 -13.131
465 HE2 LYS 50 2HE LYS 50 2.397 -2.715 -13.310
466 HE3 LYS 50 1HE LYS 50 3.440 -2.988 -14.703
467 HZ1 LYS 50 3HZ LYS 50 1.903 -4.861 -14.029
468 HZ2 LYS 50 1HZ LYS 50 2.924 -5.106 -12.698
469 HZ3 LYS 50 2HZ LYS 50 3.531 -5.272 -14.274
470 H GLN 51 H GLN 51 6.512 -5.143 -8.197
471 HA GLN 51 HA GLN 51 4.696 -7.238 -8.731
472 HB2 GLN 51 2HB GLN 51 7.215 -7.402 -8.443
473 HB3 GLN 51 1HB GLN 51 6.940 -7.303 -6.710
474 HG2 GLN 51 2HG GLN 51 5.617 -9.344 -6.791
475 HG3 GLN 51 1HG GLN 51 5.852 -9.437 -8.535
476 HE21 GLN 51 1HE2 GLN 51 7.307 -9.819 -5.414
477 HE22 GLN 51 2HE2 GLN 51 8.740 -10.633 -5.961
478 H ALA 52 H ALA 52 5.641 -5.652 -5.688
479 HA ALA 52 HA ALA 52 3.651 -6.971 -4.130
480 HB1 ALA 52 3HB ALA 52 5.285 -4.501 -3.586
481 HB2 ALA 52 1HB ALA 52 5.655 -6.148 -3.081
482 HB3 ALA 52 2HB ALA 52 4.260 -5.310 -2.397
483 H ILE 53 H ILE 53 3.865 -3.863 -5.786
484 HA ILE 53 HA ILE 53 1.498 -2.688 -4.901
485 HB ILE 53 HB ILE 53 2.978 -2.485 -7.510
486 HG12 ILE 53 2HG1 ILE 53 2.504 -0.552 -5.234
487 HG13 ILE 53 1HG1 ILE 53 3.989 -1.444 -5.551
488 HG21 ILE 53 1HG2 ILE 53 1.523 -0.621 -8.162
489 HG22 ILE 53 2HG2 ILE 53 0.471 -0.968 -6.790
490 HG23 ILE 53 3HG2 ILE 53 0.647 -2.148 -8.089
491 HD11 ILE 53 3HD1 ILE 53 2.780 0.688 -7.294
492 HD12 ILE 53 1HD1 ILE 53 4.225 -0.246 -7.683
493 HD13 ILE 53 2HD1 ILE 53 4.222 0.833 -6.288
494 H LEU 54 H LEU 54 2.038 -5.017 -7.507
495 HA LEU 54 HA LEU 54 -0.595 -5.071 -8.504
496 HG LEU 54 HG LEU 54 -1.011 -7.469 -9.802
497 HB2 LEU 54 2HB LEU 54 1.646 -6.093 -9.414
498 HB3 LEU 54 1HB LEU 54 1.144 -7.505 -8.506
499 HD11 LEU 54 1HD1 LEU 54 0.491 -5.388 -11.388
500 HD12 LEU 54 2HD1 LEU 54 -1.019 -5.165 -10.503
501 HD13 LEU 54 3HD1 LEU 54 -0.979 -6.202 -11.929
502 HD21 LEU 54 3HD2 LEU 54 -0.011 -8.434 -11.827
503 HD22 LEU 54 1HD2 LEU 54 0.782 -9.011 -10.362
504 HD23 LEU 54 2HD2 LEU 54 1.557 -7.778 -11.357
505 H GLU 55 H GLU 55 1.061 -6.992 -6.050
506 HA GLU 55 HA GLU 55 -1.016 -8.756 -5.396
507 HB2 GLU 55 2HB GLU 55 1.311 -9.039 -4.660
508 HB3 GLU 55 1HB GLU 55 1.170 -7.615 -3.639
509 HG2 GLU 55 2HG GLU 55 -0.596 -8.790 -2.345
510 HG3 GLU 55 1HG GLU 55 -0.282 -10.231 -3.313
511 H LEU 56 H LEU 56 -0.133 -5.622 -3.994
512 HA LEU 56 HA LEU 56 -2.132 -5.623 -2.004
513 HG LEU 56 HG LEU 56 0.873 -4.867 -2.023
514 HB2 LEU 56 2HB LEU 56 -0.602 -3.345 -3.249
515 HB3 LEU 56 1HB LEU 56 -1.630 -3.187 -1.838
516 HD11 LEU 56 1HD1 LEU 56 1.365 -2.498 -1.944
517 HD12 LEU 56 2HD1 LEU 56 1.766 -3.254 -0.400
518 HD13 LEU 56 3HD1 LEU 56 0.292 -2.298 -0.558
519 HD21 LEU 56 3HD2 LEU 56 -0.755 -5.905 -0.555
520 HD22 LEU 56 1HD2 LEU 56 -0.992 -4.377 0.296
521 HD23 LEU 56 2HD2 LEU 56 0.563 -5.207 0.388
522 H ASN 57 H ASN 57 -2.025 -4.078 -5.216
523 HA ASN 57 HA ASN 57 -4.508 -2.740 -4.902
524 HB2 ASN 57 2HB ASN 57 -2.761 -3.343 -7.262
525 HB3 ASN 57 1HB ASN 57 -4.374 -2.681 -7.510
526 HD21 ASN 57 1HD2 ASN 57 -1.214 -2.101 -6.188
527 HD22 ASN 57 2HD2 ASN 57 -1.378 -0.385 -6.043
528 H GLU 58 H GLU 58 -3.651 -5.893 -6.245
529 HA GLU 58 HA GLU 58 -6.181 -6.591 -7.250
530 HB2 GLU 58 2HB GLU 58 -4.001 -7.884 -7.488
531 HB3 GLU 58 1HB GLU 58 -4.283 -8.488 -5.867
532 HG2 GLU 58 2HG GLU 58 -6.496 -9.356 -6.679
533 HG3 GLU 58 1HG GLU 58 -5.968 -8.947 -8.312
534 H LEU 59 H LEU 59 -4.728 -6.926 -4.079
535 HA LEU 59 HA LEU 59 -6.903 -8.107 -2.741
536 HG LEU 59 HG LEU 59 -6.586 -6.653 -0.032
537 HB2 LEU 59 2HB LEU 59 -4.610 -8.017 -1.857
538 HB3 LEU 59 1HB LEU 59 -4.747 -6.279 -1.672
539 HD11 LEU 59 1HD1 LEU 59 -7.305 -8.855 -0.778
540 HD12 LEU 59 2HD1 LEU 59 -6.853 -8.886 0.927
541 HD13 LEU 59 3HD1 LEU 59 -5.755 -9.538 -0.287
542 HD21 LEU 59 3HD2 LEU 59 -3.952 -7.967 0.617
543 HD22 LEU 59 1HD2 LEU 59 -5.113 -7.341 1.787
544 HD23 LEU 59 2HD2 LEU 59 -4.287 -6.236 0.685
545 H ILE 60 H ILE 60 -6.042 -4.739 -3.363
546 HA ILE 60 HA ILE 60 -7.988 -3.507 -1.768
547 HB ILE 60 HB ILE 60 -6.757 -2.545 -4.354
548 HG12 ILE 60 2HG1 ILE 60 -6.152 -1.850 -1.470
549 HG13 ILE 60 1HG1 ILE 60 -5.177 -2.902 -2.491
550 HG21 ILE 60 1HG2 ILE 60 -8.403 -1.013 -2.341
551 HG22 ILE 60 2HG2 ILE 60 -8.868 -1.402 -3.998
552 HG23 ILE 60 3HG2 ILE 60 -7.522 -0.303 -3.693
553 HD11 ILE 60 3HD1 ILE 60 -4.208 -0.687 -2.317
554 HD12 ILE 60 1HD1 ILE 60 -5.688 0.026 -2.960
555 HD13 ILE 60 2HD1 ILE 60 -4.701 -1.028 -3.974
556 H GLU 61 H GLU 61 -8.114 -4.205 -5.275
557 HA GLU 61 HA GLU 61 -10.763 -3.268 -5.553
558 HB2 GLU 61 2HB GLU 61 -10.698 -4.367 -7.771
559 HB3 GLU 61 1HB GLU 61 -9.322 -3.322 -7.461
560 HG2 GLU 61 2HG GLU 61 -7.994 -5.333 -6.886
561 HG3 GLU 61 1HG GLU 61 -9.372 -6.329 -7.358
562 H ALA 62 H ALA 62 -9.493 -6.357 -4.628
563 HA ALA 62 HA ALA 62 -11.846 -7.882 -5.019
564 HB1 ALA 62 3HB ALA 62 -10.843 -9.493 -3.502
565 HB2 ALA 62 1HB ALA 62 -9.660 -8.292 -2.985
566 HB3 ALA 62 2HB ALA 62 -9.643 -8.890 -4.644
567 H GLN 63 H GLN 63 -10.578 -6.153 -2.185
568 HA GLN 63 HA GLN 63 -12.870 -6.703 -0.553
569 HB2 GLN 63 2HB GLN 63 -10.712 -4.605 -0.230
570 HB3 GLN 63 1HB GLN 63 -11.867 -5.079 1.006
571 HG2 GLN 63 2HG GLN 63 -10.919 -7.292 1.099
572 HG3 GLN 63 1HG GLN 63 -9.823 -6.910 -0.225
573 HE21 GLN 63 1HE2 GLN 63 -8.088 -5.542 0.146
574 HE22 GLN 63 2HE2 GLN 63 -7.527 -5.181 1.739
575 H ASN 64 H ASN 64 -11.773 -4.056 -2.549
576 HA ASN 64 HA ASN 64 -13.699 -2.135 -1.847
577 HB2 ASN 64 2HB ASN 64 -11.661 -1.501 -2.961
578 HB3 ASN 64 1HB ASN 64 -12.033 -2.521 -4.341
579 HD21 ASN 64 1HD2 ASN 64 -13.232 -1.722 -5.960
580 HD22 ASN 64 2HD2 ASN 64 -13.825 -0.100 -6.014
581 H HIS 65 H HIS 65 -13.878 -4.935 -3.850
582 HA HIS 65 HA HIS 65 -16.108 -4.293 -5.438
583 HD1 HIS 65 HD1 HIS 65 -15.524 -6.554 -7.918
584 HD2 HIS 65 HD2 HIS 65 -18.291 -7.550 -4.971
585 HE1 HIS 65 HE1 HIS 65 -17.496 -7.549 -9.134
586 HE2 HIS 65 HE2 HIS 65 -19.198 -8.053 -7.343
587 HB2 HIS 65 2HB HIS 65 -14.593 -6.347 -5.600
588 HB3 HIS 65 1HB HIS 65 -15.533 -7.022 -4.276
589 H GLN 66 H GLN 66 -15.996 -6.163 -2.408
590 HA GLN 66 HA GLN 66 -17.202 -6.055 -0.502
591 HB2 GLN 66 2HB GLN 66 -17.117 -3.640 -0.687
592 HB3 GLN 66 1HB GLN 66 -18.496 -3.643 -1.774
593 HG2 GLN 66 2HG GLN 66 -19.909 -4.509 0.018
594 HG3 GLN 66 1HG GLN 66 -18.523 -4.505 1.107
595 HE21 GLN 66 1HE2 GLN 66 -17.457 -2.026 0.025
596 HE22 GLN 66 2HE2 GLN 66 -18.459 -0.755 0.644
597 H THR 67 H THR 67 -19.145 -5.716 -3.447
598 HA THR 67 HA THR 67 -21.606 -6.502 -2.388
599 HB THR 67 HB THR 67 -20.721 -7.097 -5.211
600 HG1 THR 67 HG1 THR 67 -21.111 -4.669 -3.904
601 HG21 THR 67 3HG2 THR 67 -22.914 -7.968 -4.553
602 HG22 THR 67 1HG2 THR 67 -23.077 -6.666 -5.731
603 HG23 THR 67 2HG2 THR 67 -23.401 -6.358 -4.023
604 H LYS 68 H LYS 68 -21.553 -8.276 -1.093
605 HA LYS 68 HA LYS 68 -21.760 -10.782 -2.520
606 HB2 LYS 68 2HB LYS 68 -19.334 -10.499 -1.588
607 HB3 LYS 68 1HB LYS 68 -20.074 -10.791 -0.024
608 HG2 LYS 68 2HG LYS 68 -20.208 -12.674 -2.377
609 HG3 LYS 68 1HG LYS 68 -19.091 -12.817 -1.020
610 HD2 LYS 68 2HD LYS 68 -20.922 -13.151 0.512
611 HD3 LYS 68 1HD LYS 68 -22.097 -12.845 -0.768
612 HE2 LYS 68 2HE LYS 68 -21.208 -14.828 -1.973
613 HE3 LYS 68 1HE LYS 68 -20.172 -15.158 -0.585
614 HZ1 LYS 68 3HZ LYS 68 -22.214 -16.476 -0.540
615 HZ2 LYS 68 1HZ LYS 68 -23.145 -15.061 -0.527
616 HZ3 LYS 68 2HZ LYS 68 -22.138 -15.426 0.787
617 H THR 69 H THR 69 -21.645 -9.317 0.710
618 HA THR 69 HA THR 69 -23.626 -10.930 1.869
619 HB THR 69 HB THR 69 -22.098 -9.590 3.223
620 HG1 THR 69 HG1 THR 69 -24.147 -10.161 4.115
621 HG21 THR 69 3HG2 THR 69 -21.952 -7.598 1.823
622 HG22 THR 69 1HG2 THR 69 -22.414 -7.170 3.471
623 HG23 THR 69 2HG2 THR 69 -23.630 -7.200 2.194
624 H ALA 70 H ALA 70 -23.843 -8.048 -0.116
625 HA ALA 70 HA ALA 70 -26.593 -7.519 0.239
626 HB1 ALA 70 3HB ALA 70 -24.875 -7.014 -2.192
627 HB2 ALA 70 1HB ALA 70 -25.053 -5.927 -0.818
628 HB3 ALA 70 2HB ALA 70 -26.440 -6.275 -1.851
629 H LEU 71 H LEU 71 -28.290 -8.693 -0.364
630 HA LEU 71 HA LEU 71 -27.775 -11.062 -1.988
631 HG LEU 71 HG LEU 71 -30.615 -12.259 -1.888
632 HB2 LEU 71 2HB LEU 71 -28.797 -11.238 0.298
633 HB3 LEU 71 1HB LEU 71 -30.207 -10.411 -0.329
634 HD11 LEU 71 1HD1 LEU 71 -28.298 -12.982 -2.207
635 HD12 LEU 71 2HD1 LEU 71 -29.326 -14.327 -1.713
636 HD13 LEU 71 3HD1 LEU 71 -28.249 -13.565 -0.541
637 HD21 LEU 71 3HD2 LEU 71 -31.650 -12.287 0.322
638 HD22 LEU 71 1HD2 LEU 71 -30.250 -13.135 0.976
639 HD23 LEU 71 2HD2 LEU 71 -31.275 -13.923 -0.222
640 H GLU 72 H GLU 72 -28.606 -11.367 -3.934
641 HA GLU 72 HA GLU 72 -29.543 -10.945 -5.927
642 HB2 GLU 72 2HB GLU 72 -31.824 -10.033 -4.169
643 HB3 GLU 72 1HB GLU 72 -31.941 -10.173 -5.918
644 HG2 GLU 72 2HG GLU 72 -31.269 -12.585 -5.658
645 HG3 GLU 72 1HG GLU 72 -31.485 -12.371 -3.921
646 H HIS 73 H HIS 73 -27.760 -9.307 -5.904
647 HA HIS 73 HA HIS 73 -28.288 -6.554 -5.812
648 HD1 HIS 73 HD1 HIS 73 -26.431 -4.620 -5.975
649 HD2 HIS 73 HD2 HIS 73 -25.469 -6.545 -9.537
650 HE1 HIS 73 HE1 HIS 73 -25.537 -2.826 -7.501
651 HE2 HIS 73 HE2 HIS 73 -24.785 -4.053 -9.572
652 HB2 HIS 73 2HB HIS 73 -26.014 -7.402 -5.942
653 HB3 HIS 73 1HB HIS 73 -26.334 -8.110 -7.521
654 H HIS 74 H HIS 74 -28.737 -8.947 -8.357
655 HA HIS 74 HA HIS 74 -29.991 -6.962 -10.080
656 HD1 HIS 74 HD1 HIS 74 -31.839 -10.354 -11.874
657 HD2 HIS 74 HD2 HIS 74 -29.568 -7.109 -13.153
658 HE1 HIS 74 HE1 HIS 74 -32.808 -9.677 -14.092
659 HE2 HIS 74 HE2 HIS 74 -31.298 -7.850 -14.938
660 HB2 HIS 74 2HB HIS 74 -28.605 -8.816 -11.034
661 HB3 HIS 74 1HB HIS 74 -29.801 -9.964 -10.441
Start of MODEL 13
1 HA MET 1 HA MET 1 2.530 8.965 6.825
2 H1 MET 1 1H MET 1 1.572 10.922 7.828
3 H2 MET 1 2H MET 1 1.455 10.141 9.324
4 H3 MET 1 3H MET 1 0.524 9.606 8.016
5 HB2 MET 1 2HB MET 1 3.889 9.729 9.421
6 HB3 MET 1 1HB MET 1 4.666 8.913 8.073
7 HG2 MET 1 2HG MET 1 4.339 10.861 6.672
8 HG3 MET 1 1HG MET 1 3.469 11.673 7.973
9 HE1 MET 1 3HE MET 1 5.991 12.924 6.410
10 HE2 MET 1 1HE MET 1 6.871 13.646 7.754
11 HE3 MET 1 2HE MET 1 5.111 13.772 7.683
12 H ARG 2 H ARG 2 3.180 6.796 6.971
13 HA ARG 2 HA ARG 2 2.641 5.387 9.477
14 HE ARG 2 HE ARG 2 1.447 5.778 10.730
15 HB2 ARG 2 2HB ARG 2 1.359 4.814 6.829
16 HB3 ARG 2 1HB ARG 2 1.655 3.507 7.965
17 HG2 ARG 2 2HG ARG 2 0.118 5.985 8.696
18 HG3 ARG 2 1HG ARG 2 -0.640 4.540 8.025
19 HD2 ARG 2 2HD ARG 2 -0.843 4.433 10.407
20 HD3 ARG 2 1HD ARG 2 0.338 3.230 9.904
21 HH11 ARG 2 1HH1 ARG 2 0.496 2.554 11.706
22 HH12 ARG 2 2HH1 ARG 2 1.506 2.530 13.119
23 HH21 ARG 2 1HH2 ARG 2 2.807 5.757 12.601
24 HH22 ARG 2 2HH2 ARG 2 2.819 4.345 13.623
25 H VAL 3 H VAL 3 3.948 3.645 9.843
26 HA VAL 3 HA VAL 3 5.861 2.922 7.727
27 HB VAL 3 HB VAL 3 6.515 3.213 10.671
28 HG11 VAL 3 1HG1 VAL 3 8.252 2.452 8.327
29 HG12 VAL 3 2HG1 VAL 3 7.762 1.404 9.660
30 HG13 VAL 3 3HG1 VAL 3 8.834 2.772 9.962
31 HG21 VAL 3 3HG2 VAL 3 7.968 5.062 9.992
32 HG22 VAL 3 1HG2 VAL 3 6.282 5.388 9.585
33 HG23 VAL 3 2HG2 VAL 3 7.411 4.887 8.325
34 H PHE 4 H PHE 4 6.066 0.786 7.400
35 HA PHE 4 HA PHE 4 4.993 -1.038 9.445
36 HD1 PHE 4 HD2 PHE 4 3.005 0.813 6.917
37 HD2 PHE 4 HD1 PHE 4 2.535 -2.996 8.751
38 HE1 PHE 4 HE2 PHE 4 0.678 1.374 7.472
39 HE2 PHE 4 HE1 PHE 4 0.208 -2.439 9.317
40 HZ PHE 4 HZ PHE 4 -0.724 -0.254 8.678
41 HB2 PHE 4 2HB PHE 4 4.561 -1.073 6.467
42 HB3 PHE 4 1HB PHE 4 4.439 -2.549 7.421
43 HA PRO 5 HA PRO 5 9.245 -2.417 8.930
44 HB2 PRO 5 2HB PRO 5 8.804 -3.873 11.401
45 HB3 PRO 5 1HB PRO 5 9.874 -2.504 11.099
46 HG2 PRO 5 2HG PRO 5 7.647 -2.334 12.650
47 HG3 PRO 5 1HG PRO 5 8.293 -0.962 11.730
48 HD2 PRO 5 2HD PRO 5 6.004 -2.779 11.069
49 HD3 PRO 5 1HD PRO 5 6.138 -1.017 10.878
50 H VAL 6 H VAL 6 6.448 -3.952 8.435
51 HA VAL 6 HA VAL 6 7.796 -6.453 7.767
52 HB VAL 6 HB VAL 6 6.701 -6.903 9.905
53 HG11 VAL 6 1HG1 VAL 6 4.258 -6.799 10.123
54 HG12 VAL 6 2HG1 VAL 6 4.160 -6.045 8.530
55 HG13 VAL 6 3HG1 VAL 6 4.973 -5.209 9.854
56 HG21 VAL 6 3HG2 VAL 6 5.283 -8.186 7.573
57 HG22 VAL 6 1HG2 VAL 6 5.296 -8.807 9.225
58 HG23 VAL 6 2HG2 VAL 6 6.797 -8.717 8.303
59 H TYR 7 H TYR 7 7.136 -7.335 5.873
60 HA TYR 7 HA TYR 7 5.427 -5.726 4.196
61 HD1 TYR 7 HD2 TYR 7 5.375 -5.384 1.889
62 HD2 TYR 7 HD1 TYR 7 6.338 -9.527 1.809
63 HE1 TYR 7 HE2 TYR 7 4.326 -5.582 -0.327
64 HE2 TYR 7 HE1 TYR 7 5.300 -9.735 -0.409
65 HH TYR 7 HH TYR 7 3.762 -8.649 -1.841
66 HB2 TYR 7 2HB TYR 7 7.455 -6.693 3.252
67 HB3 TYR 7 1HB TYR 7 6.906 -8.313 3.661
68 H ALA 8 H ALA 8 3.376 -5.891 5.000
69 HA ALA 8 HA ALA 8 2.086 -8.493 4.563
70 HB1 ALA 8 3HB ALA 8 0.679 -8.171 6.520
71 HB2 ALA 8 1HB ALA 8 1.501 -6.652 6.881
72 HB3 ALA 8 2HB ALA 8 2.383 -8.177 6.975
73 HA PRO 9 HA PRO 9 0.154 -5.599 1.619
74 HB2 PRO 9 2HB PRO 9 -1.328 -8.179 1.280
75 HB3 PRO 9 1HB PRO 9 -0.753 -7.046 0.056
76 HG2 PRO 9 2HG PRO 9 0.599 -9.269 0.536
77 HG3 PRO 9 1HG PRO 9 1.462 -7.741 0.265
78 HD2 PRO 9 2HD PRO 9 0.997 -9.234 2.801
79 HD3 PRO 9 1HD PRO 9 2.377 -8.230 2.315
80 H LYS 10 H LYS 10 -1.896 -7.998 3.326
81 HA LYS 10 HA LYS 10 -4.248 -6.496 3.172
82 HB2 LYS 10 2HB LYS 10 -3.420 -8.620 5.140
83 HB3 LYS 10 1HB LYS 10 -5.028 -7.910 5.119
84 HG2 LYS 10 2HG LYS 10 -5.262 -8.651 2.758
85 HG3 LYS 10 1HG LYS 10 -3.714 -9.481 2.912
86 HD2 LYS 10 2HD LYS 10 -6.150 -10.009 4.612
87 HD3 LYS 10 1HD LYS 10 -5.647 -10.981 3.230
88 HE2 LYS 10 2HE LYS 10 -3.540 -11.496 4.369
89 HE3 LYS 10 1HE LYS 10 -4.058 -10.529 5.751
90 HZ1 LYS 10 3HZ LYS 10 -5.492 -12.925 4.742
91 HZ2 LYS 10 1HZ LYS 10 -5.866 -12.041 6.139
92 HZ3 LYS 10 2HZ LYS 10 -4.424 -12.931 6.055
93 H LEU 11 H LEU 11 -1.772 -6.506 5.708
94 HA LEU 11 HA LEU 11 -3.205 -4.828 7.491
95 HG LEU 11 HG LEU 11 -1.302 -7.344 7.890
96 HB2 LEU 11 2HB LEU 11 -0.232 -5.269 7.219
97 HB3 LEU 11 1HB LEU 11 -0.994 -4.410 8.542
98 HD11 LEU 11 1HD1 LEU 11 -0.229 -7.661 10.062
99 HD12 LEU 11 2HD1 LEU 11 -0.042 -5.914 10.224
100 HD13 LEU 11 3HD1 LEU 11 0.813 -6.780 8.946
101 HD21 LEU 11 3HD2 LEU 11 -2.593 -5.709 10.074
102 HD22 LEU 11 1HD2 LEU 11 -2.661 -7.466 9.926
103 HD23 LEU 11 2HD2 LEU 11 -3.415 -6.448 8.698
104 H ILE 12 H ILE 12 -0.914 -4.215 4.898
105 HA ILE 12 HA ILE 12 -0.644 -1.438 5.224
106 HB ILE 12 HB ILE 12 -0.487 -3.124 2.720
107 HG12 ILE 12 2HG1 ILE 12 1.704 -1.975 4.464
108 HG13 ILE 12 1HG1 ILE 12 1.150 -3.646 4.521
109 HG21 ILE 12 1HG2 ILE 12 -0.945 -0.786 2.156
110 HG22 ILE 12 2HG2 ILE 12 0.687 -1.258 1.682
111 HG23 ILE 12 3HG2 ILE 12 0.436 -0.280 3.130
112 HD11 ILE 12 3HD1 ILE 12 2.451 -2.279 2.174
113 HD12 ILE 12 1HD1 ILE 12 1.867 -3.942 2.195
114 HD13 ILE 12 2HD1 ILE 12 3.199 -3.460 3.247
115 H VAL 13 H VAL 13 -2.831 -3.321 3.139
116 HA VAL 13 HA VAL 13 -4.177 -1.132 2.011
117 HB VAL 13 HB VAL 13 -5.124 -3.974 2.421
118 HG11 VAL 13 1HG1 VAL 13 -6.767 -3.499 0.649
119 HG12 VAL 13 2HG1 VAL 13 -6.293 -1.801 0.682
120 HG13 VAL 13 3HG1 VAL 13 -7.051 -2.531 2.096
121 HG21 VAL 13 3HG2 VAL 13 -4.504 -4.247 0.071
122 HG22 VAL 13 1HG2 VAL 13 -3.122 -3.763 1.053
123 HG23 VAL 13 2HG2 VAL 13 -3.934 -2.578 0.029
124 H LYS 14 H LYS 14 -4.989 -3.120 4.852
125 HA LYS 14 HA LYS 14 -7.466 -1.890 5.367
126 HB2 LYS 14 2HB LYS 14 -6.945 -4.034 6.349
127 HB3 LYS 14 1HB LYS 14 -5.584 -3.351 7.226
128 HG2 LYS 14 2HG LYS 14 -6.968 -2.207 8.721
129 HG3 LYS 14 1HG LYS 14 -8.381 -2.368 7.680
130 HD2 LYS 14 2HD LYS 14 -8.494 -3.846 9.635
131 HD3 LYS 14 1HD LYS 14 -8.463 -4.755 8.124
132 HE2 LYS 14 2HE LYS 14 -6.141 -5.292 8.434
133 HE3 LYS 14 1HE LYS 14 -6.043 -4.231 9.842
134 HZ1 LYS 14 3HZ LYS 14 -7.383 -5.661 11.096
135 HZ2 LYS 14 1HZ LYS 14 -6.293 -6.687 10.298
136 HZ3 LYS 14 2HZ LYS 14 -7.886 -6.545 9.740
137 H HIS 15 H HIS 15 -4.205 -0.941 6.149
138 HA HIS 15 HA HIS 15 -5.128 1.132 7.958
139 HD1 HIS 15 HD1 HIS 15 -2.822 -0.552 10.154
140 HD2 HIS 15 HD2 HIS 15 -2.903 3.455 9.034
141 HE1 HIS 15 HE1 HIS 15 -2.634 0.757 12.296
142 HE2 HIS 15 HE2 HIS 15 -2.694 3.182 11.605
143 HB2 HIS 15 2HB HIS 15 -2.742 -0.251 7.679
144 HB3 HIS 15 1HB HIS 15 -2.358 1.359 7.076
145 H ALA 16 H ALA 16 -4.214 0.769 4.619
146 HA ALA 16 HA ALA 16 -3.798 3.517 4.034
147 HB1 ALA 16 3HB ALA 16 -4.626 1.307 2.154
148 HB2 ALA 16 1HB ALA 16 -2.964 1.702 2.594
149 HB3 ALA 16 2HB ALA 16 -3.941 2.867 1.700
150 H ARG 17 H ARG 17 -6.611 1.642 4.567
151 HA ARG 17 HA ARG 17 -8.594 2.856 3.088
152 HE ARG 17 HE ARG 17 -11.423 1.343 3.262
153 HB2 ARG 17 2HB ARG 17 -8.766 2.075 6.007
154 HB3 ARG 17 1HB ARG 17 -10.128 2.289 4.917
155 HG2 ARG 17 2HG ARG 17 -7.970 0.219 4.572
156 HG3 ARG 17 1HG ARG 17 -9.548 -0.072 5.309
157 HD2 ARG 17 2HD ARG 17 -9.187 1.014 2.535
158 HD3 ARG 17 1HD ARG 17 -9.346 -0.709 2.883
159 HH11 ARG 17 1HH1 ARG 17 -10.478 -2.034 3.177
160 HH12 ARG 17 2HH1 ARG 17 -12.119 -2.613 3.200
161 HH21 ARG 17 1HH2 ARG 17 -13.558 0.585 3.252
162 HH22 ARG 17 2HH2 ARG 17 -13.871 -1.121 3.216
163 H ILE 18 H ILE 18 -6.914 4.044 5.894
164 HA ILE 18 HA ILE 18 -8.644 6.403 6.044
165 HB ILE 18 HB ILE 18 -6.487 5.540 7.974
166 HG12 ILE 18 2HG1 ILE 18 -9.457 4.969 8.122
167 HG13 ILE 18 1HG1 ILE 18 -8.248 3.786 7.629
168 HG21 ILE 18 1HG2 ILE 18 -8.853 7.386 8.297
169 HG22 ILE 18 2HG2 ILE 18 -7.165 7.880 8.156
170 HG23 ILE 18 3HG2 ILE 18 -7.699 6.956 9.560
171 HD11 ILE 18 3HD1 ILE 18 -8.880 3.454 9.936
172 HD12 ILE 18 1HD1 ILE 18 -8.450 5.120 10.323
173 HD13 ILE 18 2HD1 ILE 18 -7.198 3.974 9.840
174 H PHE 19 H PHE 19 -5.346 5.392 5.482
175 HA PHE 19 HA PHE 19 -4.361 8.139 5.530
176 HD1 PHE 19 HD1 PHE 19 -4.398 5.043 7.565
177 HD2 PHE 19 HD2 PHE 19 -1.575 8.217 7.341
178 HE1 PHE 19 HE1 PHE 19 -4.390 5.203 10.019
179 HE2 PHE 19 HE2 PHE 19 -1.565 8.381 9.795
180 HZ PHE 19 HZ PHE 19 -2.973 6.874 11.135
181 HB2 PHE 19 2HB PHE 19 -2.944 5.476 5.523
182 HB3 PHE 19 1HB PHE 19 -2.106 7.021 5.418
183 H LEU 20 H LEU 20 -5.835 6.588 3.261
184 HA LEU 20 HA LEU 20 -4.215 5.909 1.171
185 HG LEU 20 HG LEU 20 -7.434 7.056 2.463
186 HB2 LEU 20 2HB LEU 20 -6.268 6.419 -0.247
187 HB3 LEU 20 1HB LEU 20 -6.407 5.235 1.036
188 HD11 LEU 20 1HD1 LEU 20 -7.591 8.498 -0.178
189 HD12 LEU 20 2HD1 LEU 20 -6.639 8.991 1.221
190 HD13 LEU 20 3HD1 LEU 20 -8.399 8.977 1.314
191 HD21 LEU 20 3HD2 LEU 20 -8.765 5.316 1.408
192 HD22 LEU 20 1HD2 LEU 20 -8.861 6.268 -0.074
193 HD23 LEU 20 2HD2 LEU 20 -9.629 6.854 1.404
194 H THR 21 H THR 21 -3.998 8.961 2.268
195 HA THR 21 HA THR 21 -3.284 9.946 -0.394
196 HB THR 21 HB THR 21 -5.470 10.892 0.050
197 HG1 THR 21 HG1 THR 21 -3.241 12.614 0.146
198 HG21 THR 21 3HG2 THR 21 -5.876 12.384 1.959
199 HG22 THR 21 1HG2 THR 21 -4.277 11.994 2.596
200 HG23 THR 21 2HG2 THR 21 -5.511 10.740 2.480
201 H GLY 22 H GLY 22 -1.526 8.864 1.443
202 HA2 GLY 22 2HA GLY 22 0.065 11.213 2.167
203 HA3 GLY 22 1HA GLY 22 -0.296 10.043 3.427
204 H VAL 23 H VAL 23 1.775 9.341 3.784
205 HA VAL 23 HA VAL 23 2.947 7.794 1.584
206 HB VAL 23 HB VAL 23 4.220 9.884 1.825
207 HG11 VAL 23 1HG1 VAL 23 4.781 8.944 4.634
208 HG12 VAL 23 2HG1 VAL 23 3.809 10.343 4.178
209 HG13 VAL 23 3HG1 VAL 23 5.539 10.322 3.838
210 HG21 VAL 23 3HG2 VAL 23 5.724 7.443 2.761
211 HG22 VAL 23 1HG2 VAL 23 6.449 8.894 2.061
212 HG23 VAL 23 2HG2 VAL 23 5.380 7.882 1.087
213 H ILE 24 H ILE 24 3.808 5.837 2.117
214 HA ILE 24 HA ILE 24 3.716 5.063 4.952
215 HB ILE 24 HB ILE 24 1.712 4.159 3.917
216 HG12 ILE 24 2HG1 ILE 24 3.802 2.011 4.347
217 HG13 ILE 24 1HG1 ILE 24 2.853 2.797 5.608
218 HG21 ILE 24 1HG2 ILE 24 1.829 2.548 2.069
219 HG22 ILE 24 2HG2 ILE 24 3.558 2.861 1.921
220 HG23 ILE 24 3HG2 ILE 24 2.398 4.150 1.598
221 HD11 ILE 24 3HD1 ILE 24 1.782 1.059 3.396
222 HD12 ILE 24 1HD1 ILE 24 0.810 1.874 4.621
223 HD13 ILE 24 2HD1 ILE 24 1.950 0.615 5.096
224 H TRP 25 H TRP 25 5.457 4.043 5.653
225 HA TRP 25 HA TRP 25 7.543 3.419 3.680
226 HD1 TRP 25 HD1 TRP 25 6.504 6.203 4.571
227 HE1 TRP 25 HE1 TRP 25 7.790 8.368 4.025
228 HE3 TRP 25 HE3 TRP 25 11.186 4.694 5.906
229 HZ2 TRP 25 HZ2 TRP 25 10.457 9.301 4.150
230 HZ3 TRP 25 HZ3 TRP 25 13.053 6.276 5.667
231 HH2 TRP 25 HH2 TRP 25 12.696 8.533 4.804
232 HB2 TRP 25 2HB TRP 25 7.696 4.141 6.607
233 HB3 TRP 25 1HB TRP 25 9.074 3.538 5.697
234 H VAL 26 H VAL 26 7.163 1.349 3.139
235 HA VAL 26 HA VAL 26 6.895 -0.652 5.261
236 HB VAL 26 HB VAL 26 7.128 -1.300 2.347
237 HG11 VAL 26 1HG1 VAL 26 5.747 -3.226 2.959
238 HG12 VAL 26 2HG1 VAL 26 5.712 -2.656 4.628
239 HG13 VAL 26 3HG1 VAL 26 7.238 -3.150 3.897
240 HG21 VAL 26 3HG2 VAL 26 5.405 0.404 2.456
241 HG22 VAL 26 1HG2 VAL 26 4.602 -0.458 3.767
242 HG23 VAL 26 2HG2 VAL 26 4.673 -1.170 2.155
243 H LYS 27 H LYS 27 8.456 -2.199 5.658
244 HA LYS 27 HA LYS 27 11.106 -1.245 5.378
245 HB2 LYS 27 2HB LYS 27 10.294 -2.587 7.318
246 HB3 LYS 27 1HB LYS 27 10.256 -4.000 6.270
247 HG2 LYS 27 2HG LYS 27 12.700 -3.618 5.837
248 HG3 LYS 27 1HG LYS 27 12.661 -2.410 7.122
249 HD2 LYS 27 2HD LYS 27 13.440 -4.484 8.039
250 HD3 LYS 27 1HD LYS 27 11.821 -4.169 8.666
251 HE2 LYS 27 2HE LYS 27 10.854 -5.758 7.180
252 HE3 LYS 27 1HE LYS 27 12.358 -5.920 6.277
253 HZ1 LYS 27 3HZ LYS 27 11.999 -7.785 7.776
254 HZ2 LYS 27 1HZ LYS 27 11.956 -6.731 9.107
255 HZ3 LYS 27 2HZ LYS 27 13.386 -6.906 8.216
256 H ASP 28 H ASP 28 9.393 -3.965 3.909
257 HA ASP 28 HA ASP 28 11.729 -4.817 2.462
258 HB2 ASP 28 2HB ASP 28 8.853 -5.740 2.375
259 HB3 ASP 28 1HB ASP 28 10.140 -6.462 1.414
260 H LEU 29 H LEU 29 9.321 -2.501 1.929
261 HA LEU 29 HA LEU 29 9.704 -2.653 -0.983
262 HG LEU 29 HG LEU 29 7.192 -3.731 0.512
263 HB2 LEU 29 2HB LEU 29 7.523 -1.297 0.599
264 HB3 LEU 29 1HB LEU 29 7.670 -1.253 -1.145
265 HD11 LEU 29 1HD1 LEU 29 4.978 -3.714 -0.555
266 HD12 LEU 29 2HD1 LEU 29 5.365 -2.159 -1.297
267 HD13 LEU 29 3HD1 LEU 29 5.243 -2.295 0.459
268 HD21 LEU 29 3HD2 LEU 29 6.881 -4.848 -1.636
269 HD22 LEU 29 1HD2 LEU 29 8.509 -4.187 -1.492
270 HD23 LEU 29 2HD2 LEU 29 7.306 -3.359 -2.478
271 H GLY 30 H GLY 30 9.086 -0.110 1.443
272 HA2 GLY 30 2HA GLY 30 11.100 1.460 1.639
273 HA3 GLY 30 1HA GLY 30 10.878 1.647 -0.095
274 H ARG 31 H ARG 31 10.585 3.897 0.312
275 HA ARG 31 HA ARG 31 8.301 4.811 1.808
276 HE ARG 31 HE ARG 31 11.165 8.318 -0.729
277 HB2 ARG 31 2HB ARG 31 10.305 6.191 1.656
278 HB3 ARG 31 1HB ARG 31 10.183 6.226 -0.096
279 HG2 ARG 31 2HG ARG 31 7.983 7.389 0.175
280 HG3 ARG 31 1HG ARG 31 8.348 7.516 1.898
281 HD2 ARG 31 2HD ARG 31 8.964 9.559 0.697
282 HD3 ARG 31 1HD ARG 31 10.376 8.765 1.394
283 HH11 ARG 31 1HH1 ARG 31 7.909 9.554 -0.883
284 HH12 ARG 31 2HH1 ARG 31 7.920 9.802 -2.601
285 HH21 ARG 31 1HH2 ARG 31 11.231 8.662 -3.000
286 HH22 ARG 31 2HH2 ARG 31 9.829 9.298 -3.810
287 H LEU 32 H LEU 32 6.276 4.534 1.029
288 HA LEU 32 HA LEU 32 5.909 4.690 -1.896
289 HG LEU 32 HG LEU 32 6.403 1.993 -0.316
290 HB2 LEU 32 2HB LEU 32 4.274 3.146 0.117
291 HB3 LEU 32 1HB LEU 32 3.965 3.223 -1.606
292 HD11 LEU 32 1HD1 LEU 32 4.389 0.684 0.064
293 HD12 LEU 32 2HD1 LEU 32 5.455 -0.124 -1.087
294 HD13 LEU 32 3HD1 LEU 32 4.021 0.729 -1.660
295 HD21 LEU 32 3HD2 LEU 32 6.935 1.190 -2.556
296 HD22 LEU 32 1HD2 LEU 32 6.893 2.954 -2.517
297 HD23 LEU 32 2HD2 LEU 32 5.544 2.054 -3.209
298 H GLU 33 H GLU 33 4.683 6.287 -2.613
299 HA GLU 33 HA GLU 33 2.938 7.694 -0.711
300 HB2 GLU 33 2HB GLU 33 4.042 8.578 -3.390
301 HB3 GLU 33 1HB GLU 33 2.965 9.533 -2.381
302 HG2 GLU 33 2HG GLU 33 4.624 9.650 -0.642
303 HG3 GLU 33 1HG GLU 33 5.691 8.581 -1.550
304 H PHE 34 H PHE 34 0.805 7.803 -1.023
305 HA PHE 34 HA PHE 34 -0.306 6.698 -3.482
306 HD1 PHE 34 HD1 PHE 34 1.036 6.255 -0.054
307 HD2 PHE 34 HD2 PHE 34 -2.962 4.820 -0.135
308 HE1 PHE 34 HE1 PHE 34 1.036 6.145 2.398
309 HE2 PHE 34 HE2 PHE 34 -2.971 4.710 2.324
310 HZ PHE 34 HZ PHE 34 -0.968 5.374 3.592
311 HB2 PHE 34 2HB PHE 34 -1.977 5.396 -2.095
312 HB3 PHE 34 1HB PHE 34 -0.343 4.761 -2.119
313 H GLU 35 H GLU 35 -2.289 7.483 -4.063
314 HA GLU 35 HA GLU 35 -3.255 9.753 -2.455
315 HB2 GLU 35 2HB GLU 35 -1.831 10.594 -4.261
316 HB3 GLU 35 1HB GLU 35 -2.764 9.685 -5.440
317 HG2 GLU 35 2HG GLU 35 -4.757 11.047 -4.767
318 HG3 GLU 35 1HG GLU 35 -3.656 12.054 -3.825
319 H LYS 36 H LYS 36 -5.332 9.554 -2.014
320 HA LYS 36 HA LYS 36 -7.532 8.991 -2.079
321 HB2 LYS 36 2HB LYS 36 -7.109 8.838 -5.073
322 HB3 LYS 36 1HB LYS 36 -8.657 8.981 -4.253
323 HG2 LYS 36 2HG LYS 36 -6.462 11.039 -4.179
324 HG3 LYS 36 1HG LYS 36 -7.881 11.103 -5.223
325 HD2 LYS 36 2HD LYS 36 -8.000 10.998 -2.212
326 HD3 LYS 36 1HD LYS 36 -8.043 12.490 -3.151
327 HE2 LYS 36 2HE LYS 36 -10.062 11.682 -4.305
328 HE3 LYS 36 1HE LYS 36 -10.032 10.226 -3.314
329 HZ1 LYS 36 3HZ LYS 36 -11.568 11.948 -2.489
330 HZ2 LYS 36 1HZ LYS 36 -10.248 12.986 -2.238
331 HZ3 LYS 36 2HZ LYS 36 -10.371 11.542 -1.359
332 H GLY 37 H GLY 37 -5.474 6.922 -1.840
333 HA2 GLY 37 2HA GLY 37 -5.703 4.627 -1.433
334 HA3 GLY 37 1HA GLY 37 -7.154 4.613 -2.419
335 H ARG 38 H ARG 38 -5.175 6.221 -4.338
336 HA ARG 38 HA ARG 38 -4.421 3.814 -5.806
337 HE ARG 38 HE ARG 38 -5.453 5.849 -9.972
338 HB2 ARG 38 2HB ARG 38 -4.225 6.741 -6.578
339 HB3 ARG 38 1HB ARG 38 -3.877 5.385 -7.638
340 HG2 ARG 38 2HG ARG 38 -6.146 4.719 -7.685
341 HG3 ARG 38 1HG ARG 38 -6.564 5.821 -6.371
342 HD2 ARG 38 2HD ARG 38 -7.280 6.686 -8.553
343 HD3 ARG 38 1HD ARG 38 -6.089 7.733 -7.785
344 HH11 ARG 38 1HH1 ARG 38 -5.060 8.933 -8.350
345 HH12 ARG 38 2HH1 ARG 38 -3.855 9.513 -9.463
346 HH21 ARG 38 1HH2 ARG 38 -3.858 6.608 -11.448
347 HH22 ARG 38 2HH2 ARG 38 -3.188 8.208 -11.236
348 H PHE 39 H PHE 39 -2.646 2.926 -5.457
349 HA PHE 39 HA PHE 39 -0.407 4.254 -4.224
350 HD1 PHE 39 HD1 PHE 39 1.607 2.374 -2.807
351 HD2 PHE 39 HD2 PHE 39 -2.579 1.606 -2.846
352 HE1 PHE 39 HE1 PHE 39 1.631 2.151 -0.356
353 HE2 PHE 39 HE2 PHE 39 -2.564 1.385 -0.395
354 HZ PHE 39 HZ PHE 39 -0.459 1.658 0.853
355 HB2 PHE 39 2HB PHE 39 -1.317 1.536 -4.862
356 HB3 PHE 39 1HB PHE 39 0.437 1.749 -4.872
357 H LEU 40 H LEU 40 1.131 5.265 -5.346
358 HA LEU 40 HA LEU 40 1.177 5.230 -8.190
359 HG LEU 40 HG LEU 40 1.214 7.694 -8.271
360 HB2 LEU 40 2HB LEU 40 2.940 6.480 -6.106
361 HB3 LEU 40 1HB LEU 40 3.379 6.532 -7.799
362 HD11 LEU 40 1HD1 LEU 40 -0.044 6.950 -6.319
363 HD12 LEU 40 2HD1 LEU 40 0.003 8.711 -6.417
364 HD13 LEU 40 3HD1 LEU 40 1.037 7.865 -5.266
365 HD21 LEU 40 3HD2 LEU 40 3.286 8.934 -8.052
366 HD22 LEU 40 1HD2 LEU 40 3.073 9.024 -6.304
367 HD23 LEU 40 2HD2 LEU 40 1.943 9.854 -7.376
368 H LEU 41 H LEU 41 2.126 3.850 -9.490
369 HA LEU 41 HA LEU 41 4.156 2.034 -8.407
370 HG LEU 41 HG LEU 41 2.969 -0.679 -10.652
371 HB2 LEU 41 2HB LEU 41 2.062 1.123 -9.470
372 HB3 LEU 41 1HB LEU 41 2.591 1.815 -10.986
373 HD11 LEU 41 1HD1 LEU 41 5.340 1.050 -11.333
374 HD12 LEU 41 2HD1 LEU 41 4.069 0.529 -12.441
375 HD13 LEU 41 3HD1 LEU 41 5.166 -0.657 -11.738
376 HD21 LEU 41 3HD2 LEU 41 4.962 -1.336 -9.417
377 HD22 LEU 41 1HD2 LEU 41 3.773 -0.586 -8.353
378 HD23 LEU 41 2HD2 LEU 41 5.186 0.328 -8.880
379 HA PRO 42 HA PRO 42 7.108 4.575 -10.666
380 HB2 PRO 42 2HB PRO 42 9.273 3.022 -10.006
381 HB3 PRO 42 1HB PRO 42 8.611 4.288 -8.968
382 HG2 PRO 42 2HG PRO 42 8.186 1.333 -8.858
383 HG3 PRO 42 1HG PRO 42 8.427 2.482 -7.530
384 HD2 PRO 42 2HD PRO 42 5.988 1.536 -8.177
385 HD3 PRO 42 1HD PRO 42 6.227 3.188 -7.571
386 H ARG 43 H ARG 43 7.094 4.376 -12.798
387 HA ARG 43 HA ARG 43 6.840 1.967 -14.216
388 HE ARG 43 HE ARG 43 3.465 4.850 -16.323
389 HB2 ARG 43 2HB ARG 43 7.782 4.688 -15.109
390 HB3 ARG 43 1HB ARG 43 7.538 3.341 -16.208
391 HG2 ARG 43 2HG ARG 43 5.178 3.257 -15.576
392 HG3 ARG 43 1HG ARG 43 5.429 4.622 -14.485
393 HD2 ARG 43 2HD ARG 43 6.077 6.026 -16.354
394 HD3 ARG 43 1HD ARG 43 5.921 4.663 -17.460
395 HH11 ARG 43 1HH1 ARG 43 5.559 7.138 -17.953
396 HH12 ARG 43 2HH1 ARG 43 4.244 8.054 -18.629
397 HH21 ARG 43 1HH2 ARG 43 1.728 6.040 -17.203
398 HH22 ARG 43 2HH2 ARG 43 2.063 7.449 -18.178
399 H LYS 44 H LYS 44 8.237 0.452 -14.668
400 HA LYS 44 HA LYS 44 10.144 -0.708 -14.998
401 HB2 LYS 44 2HB LYS 44 10.458 0.963 -16.820
402 HB3 LYS 44 1HB LYS 44 11.395 1.947 -15.707
403 HG2 LYS 44 2HG LYS 44 13.083 0.250 -15.535
404 HG3 LYS 44 1HG LYS 44 12.109 -0.869 -16.493
405 HD2 LYS 44 2HD LYS 44 12.262 0.659 -18.410
406 HD3 LYS 44 1HD LYS 44 13.268 1.748 -17.452
407 HE2 LYS 44 2HE LYS 44 14.973 0.046 -17.253
408 HE3 LYS 44 1HE LYS 44 13.950 -1.114 -18.102
409 HZ1 LYS 44 3HZ LYS 44 14.066 0.239 -20.074
410 HZ2 LYS 44 1HZ LYS 44 15.639 -0.128 -19.551
411 HZ3 LYS 44 2HZ LYS 44 14.991 1.412 -19.267
412 H SER 45 H SER 45 10.261 -1.248 -12.849
413 HA SER 45 HA SER 45 12.619 -0.226 -11.489
414 HG SER 45 HG SER 45 12.100 1.058 -9.116
415 HB2 SER 45 2HB SER 45 10.590 1.037 -10.618
416 HB3 SER 45 1HB SER 45 9.976 -0.504 -10.023
417 H LEU 46 H LEU 46 12.523 -1.727 -9.210
418 HA LEU 46 HA LEU 46 13.058 -4.337 -10.135
419 HG LEU 46 HG LEU 46 15.064 -4.062 -8.844
420 HB2 LEU 46 2HB LEU 46 12.575 -3.265 -7.363
421 HB3 LEU 46 1HB LEU 46 12.948 -4.950 -7.667
422 HD11 LEU 46 1HD1 LEU 46 14.344 -1.645 -7.197
423 HD12 LEU 46 2HD1 LEU 46 14.409 -1.724 -8.957
424 HD13 LEU 46 3HD1 LEU 46 15.883 -1.923 -8.010
425 HD21 LEU 46 3HD2 LEU 46 15.066 -5.290 -6.743
426 HD22 LEU 46 1HD2 LEU 46 14.755 -3.797 -5.858
427 HD23 LEU 46 2HD2 LEU 46 16.273 -4.005 -6.733
428 HA PRO 47 HA PRO 47 8.967 -5.760 -10.736
429 HB2 PRO 47 2HB PRO 47 9.517 -8.451 -10.793
430 HB3 PRO 47 1HB PRO 47 9.783 -7.352 -12.149
431 HG2 PRO 47 2HG PRO 47 11.736 -8.424 -10.164
432 HG3 PRO 47 1HG PRO 47 11.939 -8.137 -11.902
433 HD2 PRO 47 2HD PRO 47 12.925 -6.466 -10.013
434 HD3 PRO 47 1HD PRO 47 12.393 -5.899 -11.605
435 H LYS 48 H LYS 48 10.948 -7.038 -8.161
436 HA LYS 48 HA LYS 48 9.010 -8.420 -6.699
437 HB2 LYS 48 2HB LYS 48 11.410 -8.575 -6.245
438 HB3 LYS 48 1HB LYS 48 11.435 -6.899 -5.723
439 HG2 LYS 48 2HG LYS 48 9.965 -7.459 -3.852
440 HG3 LYS 48 1HG LYS 48 9.952 -9.146 -4.375
441 HD2 LYS 48 2HD LYS 48 12.357 -9.283 -4.049
442 HD3 LYS 48 1HD LYS 48 12.404 -7.585 -3.576
443 HE2 LYS 48 2HE LYS 48 10.990 -8.075 -1.649
444 HE3 LYS 48 1HE LYS 48 10.916 -9.772 -2.127
445 HZ1 LYS 48 3HZ LYS 48 13.415 -8.317 -1.428
446 HZ2 LYS 48 1HZ LYS 48 13.274 -9.971 -1.784
447 HZ3 LYS 48 2HZ LYS 48 12.563 -9.343 -0.378
448 H VAL 49 H VAL 49 9.912 -5.007 -6.727
449 HA VAL 49 HA VAL 49 7.960 -4.331 -4.694
450 HB VAL 49 HB VAL 49 9.635 -2.473 -6.402
451 HG11 VAL 49 1HG1 VAL 49 8.157 -1.974 -3.818
452 HG12 VAL 49 2HG1 VAL 49 7.656 -1.416 -5.415
453 HG13 VAL 49 3HG1 VAL 49 9.147 -0.804 -4.694
454 HG21 VAL 49 3HG2 VAL 49 10.151 -3.542 -3.627
455 HG22 VAL 49 1HG2 VAL 49 11.107 -2.305 -4.446
456 HG23 VAL 49 2HG2 VAL 49 11.054 -3.947 -5.088
457 H LYS 50 H LYS 50 8.416 -3.976 -8.172
458 HA LYS 50 HA LYS 50 6.252 -2.362 -8.803
459 HB2 LYS 50 2HB LYS 50 7.939 -2.910 -10.441
460 HB3 LYS 50 1HB LYS 50 7.509 -4.610 -10.379
461 HG2 LYS 50 2HG LYS 50 5.314 -4.081 -11.345
462 HG3 LYS 50 1HG LYS 50 5.779 -2.379 -11.430
463 HD2 LYS 50 2HD LYS 50 7.515 -2.856 -12.996
464 HD3 LYS 50 1HD LYS 50 7.331 -4.593 -12.762
465 HE2 LYS 50 2HE LYS 50 6.321 -3.934 -14.857
466 HE3 LYS 50 1HE LYS 50 5.074 -4.463 -13.729
467 HZ1 LYS 50 3HZ LYS 50 4.544 -2.409 -15.012
468 HZ2 LYS 50 1HZ LYS 50 5.777 -1.612 -14.168
469 HZ3 LYS 50 2HZ LYS 50 4.433 -2.232 -13.334
470 H GLN 51 H GLN 51 6.344 -5.942 -8.844
471 HA GLN 51 HA GLN 51 3.567 -6.188 -9.351
472 HB2 GLN 51 2HB GLN 51 5.765 -8.046 -8.619
473 HB3 GLN 51 1HB GLN 51 4.123 -8.588 -8.305
474 HG2 GLN 51 2HG GLN 51 4.823 -9.388 -10.452
475 HG3 GLN 51 1HG GLN 51 3.556 -8.184 -10.661
476 HE21 GLN 51 1HE2 GLN 51 6.903 -8.940 -11.112
477 HE22 GLN 51 2HE2 GLN 51 7.269 -7.619 -12.176
478 H ALA 52 H ALA 52 5.445 -5.911 -6.420
479 HA ALA 52 HA ALA 52 3.531 -6.803 -4.572
480 HB1 ALA 52 3HB ALA 52 4.756 -5.478 -2.924
481 HB2 ALA 52 1HB ALA 52 5.627 -4.666 -4.223
482 HB3 ALA 52 2HB ALA 52 5.851 -6.396 -3.958
483 H ILE 53 H ILE 53 4.182 -3.538 -5.825
484 HA ILE 53 HA ILE 53 2.065 -2.279 -4.438
485 HB ILE 53 HB ILE 53 3.442 -1.426 -6.995
486 HG12 ILE 53 2HG1 ILE 53 3.946 -0.655 -4.111
487 HG13 ILE 53 1HG1 ILE 53 4.966 -1.714 -5.076
488 HG21 ILE 53 1HG2 ILE 53 1.739 0.155 -5.072
489 HG22 ILE 53 2HG2 ILE 53 1.313 -0.288 -6.725
490 HG23 ILE 53 3HG2 ILE 53 2.646 0.828 -6.429
491 HD11 ILE 53 3HD1 ILE 53 4.435 1.194 -5.634
492 HD12 ILE 53 1HD1 ILE 53 5.493 0.134 -6.563
493 HD13 ILE 53 2HD1 ILE 53 5.892 0.533 -4.891
494 H LEU 54 H LEU 54 2.285 -3.828 -7.605
495 HA LEU 54 HA LEU 54 -0.278 -3.206 -8.559
496 HG LEU 54 HG LEU 54 -0.067 -3.796 -10.999
497 HB2 LEU 54 2HB LEU 54 1.745 -5.284 -9.097
498 HB3 LEU 54 1HB LEU 54 0.101 -5.725 -9.511
499 HD11 LEU 54 1HD1 LEU 54 2.797 -3.259 -10.239
500 HD12 LEU 54 2HD1 LEU 54 1.404 -2.269 -9.797
501 HD13 LEU 54 3HD1 LEU 54 1.877 -2.422 -11.490
502 HD21 LEU 54 3HD2 LEU 54 1.567 -4.531 -12.687
503 HD22 LEU 54 1HD2 LEU 54 0.729 -5.882 -11.925
504 HD23 LEU 54 2HD2 LEU 54 2.383 -5.491 -11.453
505 H GLU 55 H GLU 55 0.850 -5.949 -6.605
506 HA GLU 55 HA GLU 55 -1.609 -7.231 -6.276
507 HB2 GLU 55 2HB GLU 55 0.705 -7.086 -4.339
508 HB3 GLU 55 1HB GLU 55 -0.636 -8.215 -4.221
509 HG2 GLU 55 2HG GLU 55 1.392 -8.077 -6.438
510 HG3 GLU 55 1HG GLU 55 1.314 -9.288 -5.160
511 H LEU 56 H LEU 56 -0.146 -4.580 -4.459
512 HA LEU 56 HA LEU 56 -2.037 -4.494 -2.382
513 HG LEU 56 HG LEU 56 1.025 -4.047 -2.452
514 HB2 LEU 56 2HB LEU 56 -0.302 -2.321 -3.543
515 HB3 LEU 56 1HB LEU 56 -1.273 -2.121 -2.097
516 HD11 LEU 56 1HD1 LEU 56 0.726 -1.570 -0.765
517 HD12 LEU 56 2HD1 LEU 56 1.732 -1.737 -2.204
518 HD13 LEU 56 3HD1 LEU 56 2.108 -2.663 -0.752
519 HD21 LEU 56 3HD2 LEU 56 -0.700 -5.013 -1.028
520 HD22 LEU 56 1HD2 LEU 56 -0.731 -3.544 -0.048
521 HD23 LEU 56 2HD2 LEU 56 0.714 -4.555 -0.079
522 H ASN 57 H ASN 57 -1.927 -2.754 -5.482
523 HA ASN 57 HA ASN 57 -4.254 -1.195 -4.978
524 HB2 ASN 57 2HB ASN 57 -2.791 -1.928 -7.511
525 HB3 ASN 57 1HB ASN 57 -4.274 -0.982 -7.542
526 HD21 ASN 57 1HD2 ASN 57 -0.907 -1.012 -6.751
527 HD22 ASN 57 2HD2 ASN 57 -0.749 0.690 -6.486
528 H GLU 58 H GLU 58 -3.602 -4.257 -6.487
529 HA GLU 58 HA GLU 58 -6.196 -4.833 -7.433
530 HB2 GLU 58 2HB GLU 58 -3.723 -5.961 -7.628
531 HB3 GLU 58 1HB GLU 58 -4.503 -7.070 -6.519
532 HG2 GLU 58 2HG GLU 58 -5.491 -6.321 -9.265
533 HG3 GLU 58 1HG GLU 58 -4.686 -7.825 -8.827
534 H LEU 59 H LEU 59 -4.508 -5.507 -4.407
535 HA LEU 59 HA LEU 59 -6.529 -7.074 -3.208
536 HG LEU 59 HG LEU 59 -5.987 -6.226 -0.236
537 HB2 LEU 59 2HB LEU 59 -4.167 -7.050 -2.500
538 HB3 LEU 59 1HB LEU 59 -4.367 -5.415 -1.905
539 HD11 LEU 59 1HD1 LEU 59 -5.274 -8.949 -1.319
540 HD12 LEU 59 2HD1 LEU 59 -6.848 -8.161 -1.423
541 HD13 LEU 59 3HD1 LEU 59 -6.205 -8.641 0.148
542 HD21 LEU 59 3HD2 LEU 59 -3.618 -6.019 0.328
543 HD22 LEU 59 1HD2 LEU 59 -3.345 -7.677 -0.212
544 HD23 LEU 59 2HD2 LEU 59 -4.370 -7.365 1.190
545 H ILE 60 H ILE 60 -5.894 -3.601 -3.225
546 HA ILE 60 HA ILE 60 -7.801 -2.812 -1.326
547 HB ILE 60 HB ILE 60 -6.909 -1.358 -3.828
548 HG12 ILE 60 2HG1 ILE 60 -6.055 -1.046 -0.941
549 HG13 ILE 60 1HG1 ILE 60 -5.120 -1.868 -2.184
550 HG21 ILE 60 1HG2 ILE 60 -9.067 -0.509 -3.052
551 HG22 ILE 60 2HG2 ILE 60 -7.786 0.670 -2.775
552 HG23 ILE 60 3HG2 ILE 60 -8.406 -0.290 -1.431
553 HD11 ILE 60 3HD1 ILE 60 -4.318 0.399 -1.743
554 HD12 ILE 60 1HD1 ILE 60 -5.888 1.039 -2.224
555 HD13 ILE 60 2HD1 ILE 60 -4.877 0.206 -3.405
556 H GLU 61 H GLU 61 -8.095 -3.336 -4.822
557 HA GLU 61 HA GLU 61 -10.905 -2.791 -4.886
558 HB2 GLU 61 2HB GLU 61 -9.455 -2.508 -6.854
559 HB3 GLU 61 1HB GLU 61 -9.119 -4.232 -6.867
560 HG2 GLU 61 2HG GLU 61 -11.365 -4.742 -7.458
561 HG3 GLU 61 1HG GLU 61 -11.866 -3.068 -7.210
562 H ALA 62 H ALA 62 -8.928 -5.642 -4.393
563 HA ALA 62 HA ALA 62 -10.929 -7.601 -4.659
564 HB1 ALA 62 3HB ALA 62 -9.463 -9.029 -3.319
565 HB2 ALA 62 1HB ALA 62 -8.500 -7.622 -2.868
566 HB3 ALA 62 2HB ALA 62 -8.550 -8.154 -4.550
567 H GLN 63 H GLN 63 -9.792 -5.804 -1.799
568 HA GLN 63 HA GLN 63 -11.858 -6.910 -0.124
569 HB2 GLN 63 2HB GLN 63 -10.009 -4.564 0.362
570 HB3 GLN 63 1HB GLN 63 -11.039 -5.320 1.572
571 HG2 GLN 63 2HG GLN 63 -9.798 -7.453 1.174
572 HG3 GLN 63 1HG GLN 63 -8.686 -6.544 0.152
573 HE21 GLN 63 1HE2 GLN 63 -6.922 -6.940 1.483
574 HE22 GLN 63 2HE2 GLN 63 -6.746 -6.194 3.030
575 H ASN 64 H ASN 64 -11.689 -4.503 -2.427
576 HA ASN 64 HA ASN 64 -13.704 -2.719 -1.465
577 HB2 ASN 64 2HB ASN 64 -11.924 -2.316 -3.296
578 HB3 ASN 64 1HB ASN 64 -13.002 -3.206 -4.361
579 HD21 ASN 64 1HD2 ASN 64 -13.799 -0.930 -1.805
580 HD22 ASN 64 2HD2 ASN 64 -14.539 0.232 -2.835
581 H HIS 65 H HIS 65 -13.612 -5.768 -3.007
582 HA HIS 65 HA HIS 65 -16.520 -5.736 -3.452
583 HD1 HIS 65 HD1 HIS 65 -15.538 -9.265 -5.793
584 HD2 HIS 65 HD2 HIS 65 -18.073 -5.987 -6.109
585 HE1 HIS 65 HE1 HIS 65 -17.594 -10.111 -6.965
586 HE2 HIS 65 HE2 HIS 65 -19.014 -8.061 -7.340
587 HB2 HIS 65 2HB HIS 65 -15.233 -5.641 -5.580
588 HB3 HIS 65 1HB HIS 65 -14.424 -7.136 -5.133
589 H GLN 66 H GLN 66 -16.584 -6.594 -1.270
590 HA GLN 66 HA GLN 66 -15.888 -9.447 -1.181
591 HB2 GLN 66 2HB GLN 66 -15.522 -7.361 0.956
592 HB3 GLN 66 1HB GLN 66 -15.602 -9.076 1.340
593 HG2 GLN 66 2HG GLN 66 -13.610 -7.780 -0.513
594 HG3 GLN 66 1HG GLN 66 -13.300 -8.302 1.143
595 HE21 GLN 66 1HE2 GLN 66 -12.151 -9.137 -1.473
596 HE22 GLN 66 2HE2 GLN 66 -12.339 -10.859 -1.524
597 H THR 67 H THR 67 -16.989 -10.199 1.136
598 HA THR 67 HA THR 67 -19.622 -10.697 0.307
599 HB THR 67 HB THR 67 -19.813 -11.768 2.610
600 HG1 THR 67 HG1 THR 67 -17.713 -11.988 3.662
601 HG21 THR 67 3HG2 THR 67 -17.498 -12.549 0.827
602 HG22 THR 67 1HG2 THR 67 -19.178 -13.054 0.639
603 HG23 THR 67 2HG2 THR 67 -18.249 -13.587 2.040
604 H LYS 68 H LYS 68 -21.584 -10.104 1.136
605 HA LYS 68 HA LYS 68 -21.744 -7.529 2.438
606 HB2 LYS 68 2HB LYS 68 -23.301 -7.949 0.653
607 HB3 LYS 68 1HB LYS 68 -23.822 -9.459 1.387
608 HG2 LYS 68 2HG LYS 68 -24.707 -8.117 3.302
609 HG3 LYS 68 1HG LYS 68 -24.361 -6.667 2.357
610 HD2 LYS 68 2HD LYS 68 -25.862 -7.401 0.611
611 HD3 LYS 68 1HD LYS 68 -26.128 -8.933 1.446
612 HE2 LYS 68 2HE LYS 68 -28.001 -7.476 1.842
613 HE3 LYS 68 1HE LYS 68 -27.103 -7.695 3.342
614 HZ1 LYS 68 3HZ LYS 68 -26.991 -5.334 1.542
615 HZ2 LYS 68 1HZ LYS 68 -26.020 -5.544 2.919
616 HZ3 LYS 68 2HZ LYS 68 -27.702 -5.402 3.078
617 H THR 69 H THR 69 -21.457 -7.472 4.574
618 HA THR 69 HA THR 69 -21.721 -7.837 6.792
619 HB THR 69 HB THR 69 -24.242 -9.334 6.051
620 HG1 THR 69 HG1 THR 69 -23.629 -6.567 6.177
621 HG21 THR 69 3HG2 THR 69 -23.561 -9.532 8.406
622 HG22 THR 69 1HG2 THR 69 -25.029 -8.568 8.240
623 HG23 THR 69 2HG2 THR 69 -23.479 -7.774 8.529
624 H ALA 70 H ALA 70 -19.901 -9.148 7.001
625 HA ALA 70 HA ALA 70 -20.041 -11.992 6.625
626 HB1 ALA 70 3HB ALA 70 -17.934 -10.301 7.974
627 HB2 ALA 70 1HB ALA 70 -17.949 -10.794 6.281
628 HB3 ALA 70 2HB ALA 70 -17.768 -12.005 7.550
629 H LEU 71 H LEU 71 -20.514 -9.771 9.255
630 HA LEU 71 HA LEU 71 -20.665 -12.001 11.155
631 HG LEU 71 HG LEU 71 -18.592 -11.321 12.256
632 HB2 LEU 71 2HB LEU 71 -20.424 -9.028 11.589
633 HB3 LEU 71 1HB LEU 71 -20.779 -10.152 12.885
634 HD11 LEU 71 1HD1 LEU 71 -16.910 -9.935 11.161
635 HD12 LEU 71 2HD1 LEU 71 -18.124 -8.694 10.852
636 HD13 LEU 71 3HD1 LEU 71 -18.262 -10.273 10.080
637 HD21 LEU 71 3HD2 LEU 71 -18.858 -10.025 14.283
638 HD22 LEU 71 1HD2 LEU 71 -18.546 -8.533 13.396
639 HD23 LEU 71 2HD2 LEU 71 -17.268 -9.734 13.575
640 H GLU 72 H GLU 72 -22.725 -12.108 9.505
641 HA GLU 72 HA GLU 72 -24.994 -10.616 10.352
642 HB2 GLU 72 2HB GLU 72 -26.302 -12.350 9.128
643 HB3 GLU 72 1HB GLU 72 -25.036 -11.605 8.164
644 HG2 GLU 72 2HG GLU 72 -23.646 -13.531 8.368
645 HG3 GLU 72 1HG GLU 72 -24.736 -14.258 9.549
646 H HIS 73 H HIS 73 -23.402 -13.493 11.432
647 HA HIS 73 HA HIS 73 -25.527 -14.062 13.365
648 HD1 HIS 73 HD1 HIS 73 -26.089 -17.290 13.588
649 HD2 HIS 73 HD2 HIS 73 -24.224 -16.008 10.099
650 HE1 HIS 73 HE1 HIS 73 -27.249 -18.501 11.713
651 HE2 HIS 73 HE2 HIS 73 -26.230 -17.567 9.609
652 HB2 HIS 73 2HB HIS 73 -22.986 -15.517 12.620
653 HB3 HIS 73 1HB HIS 73 -23.961 -15.971 14.014
654 H HIS 74 H HIS 74 -25.376 -13.517 15.468
655 HA HIS 74 HA HIS 74 -22.954 -12.045 16.224
656 HD1 HIS 74 HD1 HIS 74 -26.897 -9.817 15.769
657 HD2 HIS 74 HD2 HIS 74 -22.748 -9.777 15.432
658 HE1 HIS 74 HE1 HIS 74 -26.365 -8.017 14.090
659 HE2 HIS 74 HE2 HIS 74 -23.843 -7.913 14.019
660 HB2 HIS 74 2HB HIS 74 -25.821 -11.664 17.062
661 HB3 HIS 74 1HB HIS 74 -24.476 -10.895 17.902
Start of MODEL 14
1 HA MET 1 HA MET 1 3.707 9.136 6.637
2 H1 MET 1 1H MET 1 3.026 10.198 8.701
3 H2 MET 1 2H MET 1 3.665 11.321 7.608
4 H3 MET 1 3H MET 1 4.594 10.797 8.926
5 HB2 MET 1 2HB MET 1 6.516 9.886 7.483
6 HB3 MET 1 1HB MET 1 6.043 9.010 6.035
7 HG2 MET 1 2HG MET 1 6.559 11.153 5.290
8 HG3 MET 1 1HG MET 1 4.798 11.120 5.357
9 HE1 MET 1 3HE MET 1 6.641 13.777 5.210
10 HE2 MET 1 1HE MET 1 5.787 14.827 6.338
11 HE3 MET 1 2HE MET 1 4.877 13.829 5.204
12 H ARG 2 H ARG 2 3.381 7.077 7.225
13 HA ARG 2 HA ARG 2 4.423 6.243 9.836
14 HE ARG 2 HE ARG 2 0.772 5.313 11.412
15 HB2 ARG 2 2HB ARG 2 2.021 6.025 9.593
16 HB3 ARG 2 1HB ARG 2 2.219 5.074 8.132
17 HG2 ARG 2 2HG ARG 2 3.137 3.246 9.332
18 HG3 ARG 2 1HG ARG 2 3.281 4.205 10.804
19 HD2 ARG 2 2HD ARG 2 0.616 3.699 9.522
20 HD3 ARG 2 1HD ARG 2 1.345 2.523 10.617
21 HH11 ARG 2 1HH1 ARG 2 0.729 1.860 12.037
22 HH12 ARG 2 2HH1 ARG 2 0.088 2.038 13.645
23 HH21 ARG 2 1HH2 ARG 2 -0.044 5.550 13.508
24 HH22 ARG 2 2HH2 ARG 2 -0.322 4.143 14.501
25 H VAL 3 H VAL 3 5.946 4.770 10.052
26 HA VAL 3 HA VAL 3 6.958 3.347 7.749
27 HB VAL 3 HB VAL 3 8.659 2.487 9.302
28 HG11 VAL 3 1HG1 VAL 3 8.230 5.460 9.516
29 HG12 VAL 3 2HG1 VAL 3 9.078 4.618 8.220
30 HG13 VAL 3 3HG1 VAL 3 9.744 4.622 9.851
31 HG21 VAL 3 3HG2 VAL 3 7.204 4.074 11.408
32 HG22 VAL 3 1HG2 VAL 3 8.745 3.242 11.621
33 HG23 VAL 3 2HG2 VAL 3 7.278 2.315 11.307
34 H PHE 4 H PHE 4 6.852 1.137 7.446
35 HA PHE 4 HA PHE 4 5.149 -0.353 9.330
36 HD1 PHE 4 HD2 PHE 4 3.755 1.775 7.235
37 HD2 PHE 4 HD1 PHE 4 2.637 -2.297 7.749
38 HE1 PHE 4 HE2 PHE 4 1.418 2.463 7.572
39 HE2 PHE 4 HE1 PHE 4 0.298 -1.617 8.087
40 HZ PHE 4 HZ PHE 4 -0.313 0.766 7.998
41 HB2 PHE 4 2HB PHE 4 5.136 -0.267 6.352
42 HB3 PHE 4 1HB PHE 4 4.792 -1.809 7.131
43 HA PRO 5 HA PRO 5 9.108 -2.572 9.453
44 HB2 PRO 5 2HB PRO 5 8.293 -3.325 12.134
45 HB3 PRO 5 1HB PRO 5 9.662 -2.330 11.632
46 HG2 PRO 5 2HG PRO 5 7.508 -1.340 12.972
47 HG3 PRO 5 1HG PRO 5 8.483 -0.375 11.851
48 HD2 PRO 5 2HD PRO 5 5.837 -1.705 11.398
49 HD3 PRO 5 1HD PRO 5 6.399 -0.101 10.874
50 H VAL 6 H VAL 6 5.932 -3.419 9.366
51 HA VAL 6 HA VAL 6 6.588 -6.267 9.185
52 HB VAL 6 HB VAL 6 5.498 -6.073 11.316
53 HG11 VAL 6 1HG1 VAL 6 3.273 -5.083 11.594
54 HG12 VAL 6 2HG1 VAL 6 3.293 -4.575 9.906
55 HG13 VAL 6 3HG1 VAL 6 4.455 -3.896 11.045
56 HG21 VAL 6 3HG2 VAL 6 3.502 -7.449 10.987
57 HG22 VAL 6 1HG2 VAL 6 4.839 -7.993 9.974
58 HG23 VAL 6 2HG2 VAL 6 3.518 -7.062 9.266
59 H TYR 7 H TYR 7 6.083 -7.014 7.239
60 HA TYR 7 HA TYR 7 4.325 -5.466 5.517
61 HD1 TYR 7 HD1 TYR 7 4.137 -9.004 3.524
62 HD2 TYR 7 HD2 TYR 7 5.578 -5.075 2.759
63 HE1 TYR 7 HE1 TYR 7 3.096 -9.064 1.298
64 HE2 TYR 7 HE2 TYR 7 4.543 -5.124 0.531
65 HH TYR 7 HH TYR 7 3.824 -6.828 -1.123
66 HB2 TYR 7 2HB TYR 7 6.450 -6.372 4.613
67 HB3 TYR 7 1HB TYR 7 5.872 -8.005 4.926
68 H ALA 8 H ALA 8 2.273 -5.759 6.209
69 HA ALA 8 HA ALA 8 1.237 -8.512 6.078
70 HB1 ALA 8 3HB ALA 8 -0.414 -7.930 7.772
71 HB2 ALA 8 1HB ALA 8 0.249 -6.299 7.873
72 HB3 ALA 8 2HB ALA 8 1.222 -7.677 8.385
73 HA PRO 9 HA PRO 9 -0.545 -6.690 2.353
74 HB2 PRO 9 2HB PRO 9 -2.373 -8.913 2.333
75 HB3 PRO 9 1HB PRO 9 -0.993 -8.617 1.285
76 HG2 PRO 9 2HG PRO 9 -1.205 -10.343 3.642
77 HG3 PRO 9 1HG PRO 9 -0.023 -10.378 2.325
78 HD2 PRO 9 2HD PRO 9 0.597 -9.577 4.834
79 HD3 PRO 9 1HD PRO 9 1.395 -8.918 3.392
80 H LYS 10 H LYS 10 -2.963 -8.467 4.262
81 HA LYS 10 HA LYS 10 -5.070 -6.769 3.569
82 HB2 LYS 10 2HB LYS 10 -6.391 -7.889 5.277
83 HB3 LYS 10 1HB LYS 10 -5.451 -9.050 4.357
84 HG2 LYS 10 2HG LYS 10 -4.396 -8.014 6.950
85 HG3 LYS 10 1HG LYS 10 -5.635 -9.268 6.933
86 HD2 LYS 10 2HD LYS 10 -3.060 -9.485 5.394
87 HD3 LYS 10 1HD LYS 10 -3.241 -10.071 7.049
88 HE2 LYS 10 2HE LYS 10 -4.936 -10.943 4.710
89 HE3 LYS 10 1HE LYS 10 -3.561 -11.841 5.345
90 HZ1 LYS 10 3HZ LYS 10 -6.112 -11.242 6.743
91 HZ2 LYS 10 1HZ LYS 10 -4.755 -11.912 7.510
92 HZ3 LYS 10 2HZ LYS 10 -5.532 -12.763 6.267
93 H LEU 11 H LEU 11 -2.725 -6.460 6.117
94 HA LEU 11 HA LEU 11 -4.243 -4.570 7.651
95 HG LEU 11 HG LEU 11 -1.837 -5.859 10.111
96 HB2 LEU 11 2HB LEU 11 -1.415 -5.538 7.695
97 HB3 LEU 11 1HB LEU 11 -1.816 -4.058 8.541
98 HD11 LEU 11 1HD1 LEU 11 -3.537 -4.158 10.421
99 HD12 LEU 11 2HD1 LEU 11 -4.122 -5.733 10.958
100 HD13 LEU 11 3HD1 LEU 11 -4.659 -5.071 9.414
101 HD21 LEU 11 3HD2 LEU 11 -3.348 -7.783 9.879
102 HD22 LEU 11 1HD2 LEU 11 -2.126 -7.730 8.608
103 HD23 LEU 11 2HD2 LEU 11 -3.782 -7.230 8.262
104 H ILE 12 H ILE 12 -1.435 -4.299 5.474
105 HA ILE 12 HA ILE 12 -1.219 -1.508 5.550
106 HB ILE 12 HB ILE 12 -0.507 -3.382 3.284
107 HG12 ILE 12 2HG1 ILE 12 1.214 -2.232 5.493
108 HG13 ILE 12 1HG1 ILE 12 0.598 -3.879 5.444
109 HG21 ILE 12 1HG2 ILE 12 -0.678 -1.091 2.495
110 HG22 ILE 12 2HG2 ILE 12 1.007 -1.610 2.530
111 HG23 ILE 12 3HG2 ILE 12 0.384 -0.546 3.791
112 HD11 ILE 12 3HD1 ILE 12 2.493 -2.656 3.449
113 HD12 ILE 12 1HD1 ILE 12 1.889 -4.312 3.429
114 HD13 ILE 12 2HD1 ILE 12 2.927 -3.770 4.747
115 H VAL 13 H VAL 13 -2.926 -3.587 3.238
116 HA VAL 13 HA VAL 13 -3.841 -1.535 1.557
117 HB VAL 13 HB VAL 13 -4.820 -4.340 2.034
118 HG11 VAL 13 1HG1 VAL 13 -6.231 -4.100 0.041
119 HG12 VAL 13 2HG1 VAL 13 -5.837 -2.383 -0.022
120 HG13 VAL 13 3HG1 VAL 13 -6.752 -3.024 1.339
121 HG21 VAL 13 3HG2 VAL 13 -2.663 -4.108 0.939
122 HG22 VAL 13 1HG2 VAL 13 -3.367 -3.014 -0.252
123 HG23 VAL 13 2HG2 VAL 13 -3.868 -4.702 -0.202
124 H LYS 14 H LYS 14 -5.493 -3.163 4.281
125 HA LYS 14 HA LYS 14 -7.916 -1.732 3.861
126 HB2 LYS 14 2HB LYS 14 -7.804 -3.943 4.973
127 HB3 LYS 14 1HB LYS 14 -7.003 -3.189 6.343
128 HG2 LYS 14 2HG LYS 14 -8.920 -2.046 6.995
129 HG3 LYS 14 1HG LYS 14 -9.686 -2.241 5.420
130 HD2 LYS 14 2HD LYS 14 -10.735 -3.684 7.085
131 HD3 LYS 14 1HD LYS 14 -9.941 -4.641 5.837
132 HE2 LYS 14 2HE LYS 14 -8.516 -3.981 8.385
133 HE3 LYS 14 1HE LYS 14 -9.670 -5.311 8.328
134 HZ1 LYS 14 3HZ LYS 14 -7.393 -6.052 7.932
135 HZ2 LYS 14 1HZ LYS 14 -7.284 -5.044 6.574
136 HZ3 LYS 14 2HZ LYS 14 -8.374 -6.339 6.582
137 H HIS 15 H HIS 15 -5.013 -1.092 5.684
138 HA HIS 15 HA HIS 15 -6.157 1.089 7.169
139 HD1 HIS 15 HD1 HIS 15 -3.093 1.179 9.924
140 HD2 HIS 15 HD2 HIS 15 -5.693 -1.652 8.333
141 HE1 HIS 15 HE1 HIS 15 -3.822 -0.241 11.864
142 HE2 HIS 15 HE2 HIS 15 -5.582 -1.775 10.917
143 HB2 HIS 15 2HB HIS 15 -3.372 0.037 6.784
144 HB3 HIS 15 1HB HIS 15 -3.626 1.617 7.517
145 H ALA 16 H ALA 16 -4.430 0.682 4.136
146 HA ALA 16 HA ALA 16 -3.937 3.408 3.611
147 HB1 ALA 16 3HB ALA 16 -3.629 2.741 1.300
148 HB2 ALA 16 1HB ALA 16 -4.418 1.196 1.616
149 HB3 ALA 16 2HB ALA 16 -2.868 1.567 2.372
150 H ARG 17 H ARG 17 -6.806 1.521 3.534
151 HA ARG 17 HA ARG 17 -8.415 3.022 1.802
152 HE ARG 17 HE ARG 17 -11.176 4.293 1.693
153 HB2 ARG 17 2HB ARG 17 -9.047 0.833 2.773
154 HB3 ARG 17 1HB ARG 17 -9.206 1.591 4.349
155 HG2 ARG 17 2HG ARG 17 -11.375 1.262 3.373
156 HG3 ARG 17 1HG ARG 17 -11.026 2.989 3.474
157 HD2 ARG 17 2HD ARG 17 -10.284 1.613 0.961
158 HD3 ARG 17 1HD ARG 17 -12.006 1.821 1.278
159 HH11 ARG 17 1HH1 ARG 17 -10.175 2.091 -0.846
160 HH12 ARG 17 2HH1 ARG 17 -9.956 3.355 -2.019
161 HH21 ARG 17 1HH2 ARG 17 -10.893 5.936 0.155
162 HH22 ARG 17 2HH2 ARG 17 -10.353 5.539 -1.448
163 H ILE 18 H ILE 18 -7.305 3.600 5.046
164 HA ILE 18 HA ILE 18 -9.019 5.970 5.307
165 HB ILE 18 HB ILE 18 -7.207 4.720 7.381
166 HG12 ILE 18 2HG1 ILE 18 -10.203 4.445 7.045
167 HG13 ILE 18 1HG1 ILE 18 -9.029 3.192 6.661
168 HG21 ILE 18 1HG2 ILE 18 -8.512 6.063 8.968
169 HG22 ILE 18 2HG2 ILE 18 -9.411 6.765 7.623
170 HG23 ILE 18 3HG2 ILE 18 -7.681 7.077 7.784
171 HD11 ILE 18 3HD1 ILE 18 -10.107 2.803 8.811
172 HD12 ILE 18 1HD1 ILE 18 -9.514 4.358 9.392
173 HD13 ILE 18 2HD1 ILE 18 -8.375 3.072 8.996
174 H PHE 19 H PHE 19 -5.647 4.930 5.403
175 HA PHE 19 HA PHE 19 -4.625 7.617 5.676
176 HD1 PHE 19 HD2 PHE 19 -4.373 4.029 7.274
177 HD2 PHE 19 HD1 PHE 19 -2.196 7.678 7.462
178 HE1 PHE 19 HE2 PHE 19 -4.361 3.887 9.728
179 HE2 PHE 19 HE1 PHE 19 -2.177 7.545 9.918
180 HZ PHE 19 HZ PHE 19 -3.261 5.648 11.056
181 HB2 PHE 19 2HB PHE 19 -3.292 4.934 5.316
182 HB3 PHE 19 1HB PHE 19 -2.389 6.443 5.390
183 H LEU 20 H LEU 20 -6.076 6.340 3.215
184 HA LEU 20 HA LEU 20 -4.828 6.008 0.950
185 HG LEU 20 HG LEU 20 -7.318 8.174 2.544
186 HB2 LEU 20 2HB LEU 20 -6.667 7.205 -0.214
187 HB3 LEU 20 1HB LEU 20 -7.177 6.055 1.003
188 HD11 LEU 20 1HD1 LEU 20 -6.328 9.735 0.954
189 HD12 LEU 20 2HD1 LEU 20 -7.987 10.186 1.344
190 HD13 LEU 20 3HD1 LEU 20 -7.627 9.399 -0.192
191 HD21 LEU 20 3HD2 LEU 20 -9.652 8.482 1.856
192 HD22 LEU 20 1HD2 LEU 20 -9.206 6.778 1.951
193 HD23 LEU 20 2HD2 LEU 20 -9.327 7.572 0.381
194 H THR 21 H THR 21 -4.633 9.139 2.516
195 HA THR 21 HA THR 21 -2.984 10.003 0.242
196 HB THR 21 HB THR 21 -4.914 11.412 0.246
197 HG1 THR 21 HG1 THR 21 -3.846 13.482 1.014
198 HG21 THR 21 3HG2 THR 21 -5.609 12.733 2.199
199 HG22 THR 21 1HG2 THR 21 -4.388 11.915 3.174
200 HG23 THR 21 2HG2 THR 21 -5.733 10.998 2.495
201 H GLY 22 H GLY 22 -0.974 9.486 0.956
202 HA2 GLY 22 2HA GLY 22 0.359 11.082 2.802
203 HA3 GLY 22 1HA GLY 22 -0.168 9.654 3.673
204 H VAL 23 H VAL 23 2.051 9.213 4.040
205 HA VAL 23 HA VAL 23 3.368 7.908 1.761
206 HB VAL 23 HB VAL 23 4.762 9.669 3.793
207 HG11 VAL 23 1HG1 VAL 23 5.889 8.117 1.465
208 HG12 VAL 23 2HG1 VAL 23 6.126 7.750 3.174
209 HG13 VAL 23 3HG1 VAL 23 6.789 9.234 2.492
210 HG21 VAL 23 3HG2 VAL 23 5.303 11.107 1.893
211 HG22 VAL 23 1HG2 VAL 23 3.557 10.963 2.102
212 HG23 VAL 23 2HG2 VAL 23 4.371 10.058 0.825
213 H ILE 24 H ILE 24 4.130 5.931 2.204
214 HA ILE 24 HA ILE 24 4.107 5.054 5.026
215 HB ILE 24 HB ILE 24 2.219 4.059 3.918
216 HG12 ILE 24 2HG1 ILE 24 4.487 2.066 4.114
217 HG13 ILE 24 1HG1 ILE 24 3.428 2.575 5.426
218 HG21 ILE 24 1HG2 ILE 24 2.875 4.376 1.613
219 HG22 ILE 24 2HG2 ILE 24 2.434 2.692 1.889
220 HG23 ILE 24 3HG2 ILE 24 4.134 3.152 1.776
221 HD11 ILE 24 3HD1 ILE 24 2.812 0.382 4.568
222 HD12 ILE 24 1HD1 ILE 24 2.566 1.072 2.965
223 HD13 ILE 24 2HD1 ILE 24 1.526 1.560 4.302
224 H TRP 25 H TRP 25 5.948 4.108 5.728
225 HA TRP 25 HA TRP 25 8.054 3.618 3.735
226 HD1 TRP 25 HD1 TRP 25 6.986 6.358 5.003
227 HE1 TRP 25 HE1 TRP 25 8.282 8.550 4.555
228 HE3 TRP 25 HE3 TRP 25 11.720 4.658 5.822
229 HZ2 TRP 25 HZ2 TRP 25 10.964 9.417 4.541
230 HZ3 TRP 25 HZ3 TRP 25 13.602 6.223 5.564
231 HH2 TRP 25 HH2 TRP 25 13.235 8.554 4.936
232 HB2 TRP 25 2HB TRP 25 8.192 4.111 6.710
233 HB3 TRP 25 1HB TRP 25 9.576 3.578 5.763
234 H VAL 26 H VAL 26 7.425 1.630 3.043
235 HA VAL 26 HA VAL 26 6.864 -0.523 4.866
236 HB VAL 26 HB VAL 26 7.559 -0.892 1.970
237 HG11 VAL 26 1HG1 VAL 26 5.973 -2.745 2.118
238 HG12 VAL 26 2HG1 VAL 26 5.684 -2.355 3.814
239 HG13 VAL 26 3HG1 VAL 26 7.278 -2.905 3.294
240 HG21 VAL 26 3HG2 VAL 26 4.885 -0.032 3.065
241 HG22 VAL 26 1HG2 VAL 26 5.200 -0.533 1.404
242 HG23 VAL 26 2HG2 VAL 26 5.949 0.931 2.040
243 H LYS 27 H LYS 27 8.130 -2.361 5.225
244 HA LYS 27 HA LYS 27 10.897 -1.859 5.558
245 HB2 LYS 27 2HB LYS 27 9.698 -3.306 7.097
246 HB3 LYS 27 1HB LYS 27 9.315 -4.423 5.794
247 HG2 LYS 27 2HG LYS 27 11.090 -5.424 6.944
248 HG3 LYS 27 1HG LYS 27 11.831 -4.706 5.512
249 HD2 LYS 27 2HD LYS 27 13.244 -4.195 7.351
250 HD3 LYS 27 1HD LYS 27 12.387 -2.708 6.940
251 HE2 LYS 27 2HE LYS 27 12.438 -3.014 9.349
252 HE3 LYS 27 1HE LYS 27 10.787 -3.142 8.745
253 HZ1 LYS 27 3HZ LYS 27 10.961 -5.552 8.852
254 HZ2 LYS 27 1HZ LYS 27 11.285 -4.863 10.370
255 HZ3 LYS 27 2HZ LYS 27 12.560 -5.431 9.408
256 H ASP 28 H ASP 28 9.178 -4.199 3.527
257 HA ASP 28 HA ASP 28 11.599 -5.101 2.295
258 HB2 ASP 28 2HB ASP 28 9.712 -6.624 2.716
259 HB3 ASP 28 1HB ASP 28 8.717 -5.704 1.592
260 H LEU 29 H LEU 29 9.267 -2.678 1.593
261 HA LEU 29 HA LEU 29 10.209 -2.468 -1.173
262 HG LEU 29 HG LEU 29 7.449 -3.560 -0.203
263 HB2 LEU 29 2HB LEU 29 7.846 -1.146 0.162
264 HB3 LEU 29 1HB LEU 29 8.287 -0.975 -1.526
265 HD11 LEU 29 1HD1 LEU 29 5.965 -1.732 -2.085
266 HD12 LEU 29 2HD1 LEU 29 5.588 -2.017 -0.385
267 HD13 LEU 29 3HD1 LEU 29 5.418 -3.324 -1.558
268 HD21 LEU 29 3HD2 LEU 29 8.071 -2.890 -3.077
269 HD22 LEU 29 1HD2 LEU 29 7.367 -4.409 -2.517
270 HD23 LEU 29 2HD2 LEU 29 8.997 -3.953 -2.018
271 H GLY 30 H GLY 30 8.995 0.107 0.941
272 HA2 GLY 30 2HA GLY 30 11.139 1.404 1.838
273 HA3 GLY 30 1HA GLY 30 11.237 1.764 0.118
274 H ARG 31 H ARG 31 10.916 3.968 0.447
275 HA ARG 31 HA ARG 31 8.636 4.970 1.882
276 HE ARG 31 HE ARG 31 9.749 8.818 -1.117
277 HB2 ARG 31 2HB ARG 31 10.788 6.196 1.728
278 HB3 ARG 31 1HB ARG 31 10.532 6.389 0.001
279 HG2 ARG 31 2HG ARG 31 8.411 7.618 0.568
280 HG3 ARG 31 1HG ARG 31 8.949 7.601 2.249
281 HD2 ARG 31 2HD ARG 31 9.591 9.692 1.248
282 HD3 ARG 31 1HD ARG 31 11.041 8.729 1.534
283 HH11 ARG 31 1HH1 ARG 31 12.568 9.229 0.927
284 HH12 ARG 31 2HH1 ARG 31 13.667 9.423 -0.406
285 HH21 ARG 31 1HH2 ARG 31 11.177 9.122 -2.873
286 HH22 ARG 31 2HH2 ARG 31 12.870 9.389 -2.571
287 H LEU 32 H LEU 32 6.649 4.680 1.048
288 HA LEU 32 HA LEU 32 6.336 5.042 -1.863
289 HG LEU 32 HG LEU 32 6.846 2.238 -0.673
290 HB2 LEU 32 2HB LEU 32 4.739 3.317 0.029
291 HB3 LEU 32 1HB LEU 32 4.328 3.589 -1.653
292 HD11 LEU 32 1HD1 LEU 32 4.879 0.880 -0.257
293 HD12 LEU 32 2HD1 LEU 32 5.835 0.202 -1.576
294 HD13 LEU 32 3HD1 LEU 32 4.355 1.096 -1.927
295 HD21 LEU 32 3HD2 LEU 32 5.756 2.628 -3.460
296 HD22 LEU 32 1HD2 LEU 32 7.160 1.646 -3.033
297 HD23 LEU 32 2HD2 LEU 32 7.195 3.392 -2.781
298 H GLU 33 H GLU 33 4.936 6.526 -2.549
299 HA GLU 33 HA GLU 33 3.303 7.879 -0.524
300 HB2 GLU 33 2HB GLU 33 3.278 9.779 -2.200
301 HB3 GLU 33 1HB GLU 33 4.827 9.449 -1.438
302 HG2 GLU 33 2HG GLU 33 5.355 8.051 -3.506
303 HG3 GLU 33 1HG GLU 33 3.954 8.834 -4.239
304 H PHE 34 H PHE 34 1.147 8.048 -0.812
305 HA PHE 34 HA PHE 34 -0.009 7.047 -3.291
306 HD1 PHE 34 HD1 PHE 34 1.478 6.139 0.092
307 HD2 PHE 34 HD2 PHE 34 -2.674 5.225 -0.036
308 HE1 PHE 34 HE1 PHE 34 1.449 5.971 2.540
309 HE2 PHE 34 HE2 PHE 34 -2.711 5.058 2.419
310 HZ PHE 34 HZ PHE 34 -0.645 5.432 3.710
311 HB2 PHE 34 2HB PHE 34 -1.569 5.565 -1.999
312 HB3 PHE 34 1HB PHE 34 0.101 5.027 -2.013
313 H GLU 35 H GLU 35 -1.997 7.847 -3.766
314 HA GLU 35 HA GLU 35 -3.096 9.816 -1.893
315 HB2 GLU 35 2HB GLU 35 -1.635 11.005 -3.461
316 HB3 GLU 35 1HB GLU 35 -2.492 10.291 -4.818
317 HG2 GLU 35 2HG GLU 35 -4.528 11.459 -4.127
318 HG3 GLU 35 1HG GLU 35 -3.638 12.204 -2.799
319 H LYS 36 H LYS 36 -5.224 9.673 -1.700
320 HA LYS 36 HA LYS 36 -7.409 9.183 -2.051
321 HB2 LYS 36 2HB LYS 36 -6.584 9.154 -4.963
322 HB3 LYS 36 1HB LYS 36 -8.246 9.154 -4.385
323 HG2 LYS 36 2HG LYS 36 -7.996 11.327 -3.439
324 HG3 LYS 36 1HG LYS 36 -6.260 11.318 -3.745
325 HD2 LYS 36 2HD LYS 36 -6.736 11.221 -6.176
326 HD3 LYS 36 1HD LYS 36 -8.458 11.361 -5.811
327 HE2 LYS 36 2HE LYS 36 -8.085 13.518 -4.761
328 HE3 LYS 36 1HE LYS 36 -6.349 13.369 -5.027
329 HZ1 LYS 36 3HZ LYS 36 -8.443 13.615 -7.122
330 HZ2 LYS 36 1HZ LYS 36 -6.794 13.350 -7.430
331 HZ3 LYS 36 2HZ LYS 36 -7.299 14.786 -6.684
332 H GLY 37 H GLY 37 -5.312 7.078 -1.738
333 HA2 GLY 37 2HA GLY 37 -5.682 4.803 -1.269
334 HA3 GLY 37 1HA GLY 37 -7.065 4.824 -2.354
335 H ARG 38 H ARG 38 -4.889 6.332 -4.148
336 HA ARG 38 HA ARG 38 -4.103 3.819 -5.454
337 HE ARG 38 HE ARG 38 -6.363 4.653 -8.276
338 HB2 ARG 38 2HB ARG 38 -5.388 5.683 -6.683
339 HB3 ARG 38 1HB ARG 38 -3.883 6.593 -6.633
340 HG2 ARG 38 2HG ARG 38 -4.049 5.525 -8.755
341 HG3 ARG 38 1HG ARG 38 -2.782 4.714 -7.834
342 HD2 ARG 38 2HD ARG 38 -4.152 3.069 -8.968
343 HD3 ARG 38 1HD ARG 38 -4.391 2.946 -7.227
344 HH11 ARG 38 1HH1 ARG 38 -5.451 1.261 -8.370
345 HH12 ARG 38 2HH1 ARG 38 -7.070 0.706 -8.653
346 HH21 ARG 38 1HH2 ARG 38 -8.504 3.907 -8.640
347 HH22 ARG 38 2HH2 ARG 38 -8.809 2.200 -8.793
348 H PHE 39 H PHE 39 -2.356 3.129 -4.670
349 HA PHE 39 HA PHE 39 -0.135 4.467 -3.706
350 HD1 PHE 39 HD1 PHE 39 -2.018 1.626 -2.568
351 HD2 PHE 39 HD2 PHE 39 2.144 2.503 -2.694
352 HE1 PHE 39 HE1 PHE 39 -1.845 1.126 -0.166
353 HE2 PHE 39 HE2 PHE 39 2.327 2.003 -0.292
354 HZ PHE 39 HZ PHE 39 0.330 1.314 0.976
355 HB2 PHE 39 2HB PHE 39 -0.845 1.789 -4.669
356 HB3 PHE 39 1HB PHE 39 0.884 2.153 -4.728
357 H LEU 40 H LEU 40 1.392 5.646 -4.666
358 HA LEU 40 HA LEU 40 1.485 5.668 -7.591
359 HG LEU 40 HG LEU 40 0.172 7.714 -5.628
360 HB2 LEU 40 2HB LEU 40 2.651 7.613 -5.598
361 HB3 LEU 40 1HB LEU 40 2.659 7.804 -7.341
362 HD11 LEU 40 1HD1 LEU 40 1.488 9.723 -5.204
363 HD12 LEU 40 2HD1 LEU 40 0.008 10.103 -6.087
364 HD13 LEU 40 3HD1 LEU 40 1.554 10.054 -6.936
365 HD21 LEU 40 3HD2 LEU 40 -0.956 8.483 -7.662
366 HD22 LEU 40 1HD2 LEU 40 -0.208 6.902 -7.887
367 HD23 LEU 40 2HD2 LEU 40 0.560 8.344 -8.552
368 H LEU 41 H LEU 41 2.757 3.946 -8.072
369 HA LEU 41 HA LEU 41 5.279 3.463 -6.816
370 HG LEU 41 HG LEU 41 4.779 2.886 -10.475
371 HB2 LEU 41 2HB LEU 41 5.540 1.674 -8.378
372 HB3 LEU 41 1HB LEU 41 3.869 1.681 -7.858
373 HD11 LEU 41 1HD1 LEU 41 3.968 0.846 -11.539
374 HD12 LEU 41 2HD1 LEU 41 3.655 0.139 -9.954
375 HD13 LEU 41 3HD1 LEU 41 5.309 0.505 -10.442
376 HD21 LEU 41 3HD2 LEU 41 2.414 2.690 -11.076
377 HD22 LEU 41 1HD2 LEU 41 2.634 3.714 -9.658
378 HD23 LEU 41 2HD2 LEU 41 2.057 2.058 -9.468
379 HA PRO 42 HA PRO 42 8.144 5.811 -9.343
380 HB2 PRO 42 2HB PRO 42 9.325 3.251 -10.294
381 HB3 PRO 42 1HB PRO 42 10.108 4.642 -9.536
382 HG2 PRO 42 2HG PRO 42 9.702 2.396 -8.168
383 HG3 PRO 42 1HG PRO 42 9.508 3.982 -7.398
384 HD2 PRO 42 2HD PRO 42 7.418 2.071 -8.355
385 HD3 PRO 42 1HD PRO 42 7.420 3.122 -6.924
386 H ARG 43 H ARG 43 9.125 5.808 -11.677
387 HA ARG 43 HA ARG 43 7.004 6.064 -13.451
388 HE ARG 43 HE ARG 43 11.247 6.577 -15.406
389 HB2 ARG 43 2HB ARG 43 9.087 7.267 -13.770
390 HB3 ARG 43 1HB ARG 43 9.948 5.763 -14.061
391 HG2 ARG 43 2HG ARG 43 8.913 5.444 -16.144
392 HG3 ARG 43 1HG ARG 43 7.670 6.649 -15.803
393 HD2 ARG 43 2HD ARG 43 9.401 7.436 -17.393
394 HD3 ARG 43 1HD ARG 43 9.274 8.427 -15.941
395 HH11 ARG 43 1HH1 ARG 43 10.712 9.059 -17.820
396 HH12 ARG 43 2HH1 ARG 43 12.404 9.424 -17.997
397 HH21 ARG 43 1HH2 ARG 43 13.466 7.033 -15.670
398 HH22 ARG 43 2HH2 ARG 43 13.958 8.257 -16.798
399 H LYS 44 H LYS 44 9.461 3.454 -13.365
400 HA LYS 44 HA LYS 44 7.411 1.775 -14.663
401 HB2 LYS 44 2HB LYS 44 9.104 0.449 -15.709
402 HB3 LYS 44 1HB LYS 44 9.435 2.133 -16.080
403 HG2 LYS 44 2HG LYS 44 11.331 2.188 -14.770
404 HG3 LYS 44 1HG LYS 44 10.799 0.837 -13.760
405 HD2 LYS 44 2HD LYS 44 11.654 0.646 -16.652
406 HD3 LYS 44 1HD LYS 44 12.639 0.192 -15.257
407 HE2 LYS 44 2HE LYS 44 11.058 -1.530 -14.646
408 HE3 LYS 44 1HE LYS 44 9.964 -1.027 -15.935
409 HZ1 LYS 44 3HZ LYS 44 12.667 -2.216 -16.282
410 HZ2 LYS 44 1HZ LYS 44 11.687 -1.649 -17.545
411 HZ3 LYS 44 2HZ LYS 44 11.180 -2.963 -16.607
412 H SER 45 H SER 45 9.610 2.198 -12.054
413 HA SER 45 HA SER 45 9.709 1.251 -10.000
414 HG SER 45 HG SER 45 7.404 -1.198 -8.877
415 HB2 SER 45 2HB SER 45 7.230 0.979 -10.208
416 HB3 SER 45 1HB SER 45 7.503 -0.619 -10.901
417 H LEU 46 H LEU 46 10.341 -0.803 -8.918
418 HA LEU 46 HA LEU 46 12.121 -2.294 -10.672
419 HG LEU 46 HG LEU 46 14.224 -1.470 -7.731
420 HB2 LEU 46 2HB LEU 46 11.822 -2.235 -7.664
421 HB3 LEU 46 1HB LEU 46 12.944 -3.287 -8.502
422 HD11 LEU 46 1HD1 LEU 46 15.001 -0.370 -9.774
423 HD12 LEU 46 2HD1 LEU 46 13.571 -0.953 -10.625
424 HD13 LEU 46 3HD1 LEU 46 14.757 -2.101 -10.006
425 HD21 LEU 46 3HD2 LEU 46 12.159 0.385 -8.905
426 HD22 LEU 46 1HD2 LEU 46 13.669 0.875 -8.139
427 HD23 LEU 46 2HD2 LEU 46 12.421 0.068 -7.190
428 HA PRO 47 HA PRO 47 9.850 -5.954 -11.372
429 HB2 PRO 47 2HB PRO 47 11.949 -7.371 -9.775
430 HB3 PRO 47 1HB PRO 47 11.247 -7.802 -11.339
431 HG2 PRO 47 2HG PRO 47 13.642 -6.652 -11.202
432 HG3 PRO 47 1HG PRO 47 12.497 -6.223 -12.487
433 HD2 PRO 47 2HD PRO 47 13.326 -4.670 -10.095
434 HD3 PRO 47 1HD PRO 47 12.761 -4.097 -11.674
435 H LYS 48 H LYS 48 11.286 -6.360 -8.110
436 HA LYS 48 HA LYS 48 9.099 -7.824 -7.104
437 HB2 LYS 48 2HB LYS 48 11.384 -7.830 -6.109
438 HB3 LYS 48 1HB LYS 48 11.095 -6.198 -5.521
439 HG2 LYS 48 2HG LYS 48 9.133 -7.095 -4.252
440 HG3 LYS 48 1HG LYS 48 9.657 -8.713 -4.716
441 HD2 LYS 48 2HD LYS 48 10.479 -8.225 -2.509
442 HD3 LYS 48 1HD LYS 48 11.839 -8.264 -3.631
443 HE2 LYS 48 2HE LYS 48 11.864 -5.841 -3.730
444 HE3 LYS 48 1HE LYS 48 10.445 -5.763 -2.686
445 HZ1 LYS 48 3HZ LYS 48 12.462 -5.354 -1.440
446 HZ2 LYS 48 1HZ LYS 48 13.110 -6.841 -1.928
447 HZ3 LYS 48 2HZ LYS 48 11.749 -6.801 -0.920
448 H VAL 49 H VAL 49 9.910 -4.394 -6.954
449 HA VAL 49 HA VAL 49 7.894 -3.648 -5.120
450 HB VAL 49 HB VAL 49 9.189 -1.908 -7.225
451 HG11 VAL 49 1HG1 VAL 49 7.861 -1.197 -4.613
452 HG12 VAL 49 2HG1 VAL 49 7.211 -0.900 -6.225
453 HG13 VAL 49 3HG1 VAL 49 8.673 -0.067 -5.695
454 HG21 VAL 49 3HG2 VAL 49 10.076 -2.489 -4.402
455 HG22 VAL 49 1HG2 VAL 49 10.795 -1.287 -5.475
456 HG23 VAL 49 2HG2 VAL 49 10.892 -3.001 -5.880
457 H LYS 50 H LYS 50 8.009 -3.701 -8.662
458 HA LYS 50 HA LYS 50 5.504 -2.521 -9.135
459 HB2 LYS 50 2HB LYS 50 7.208 -2.826 -10.876
460 HB3 LYS 50 1HB LYS 50 6.998 -4.567 -10.785
461 HG2 LYS 50 2HG LYS 50 4.786 -4.420 -11.667
462 HG3 LYS 50 1HG LYS 50 4.811 -2.656 -11.569
463 HD2 LYS 50 2HD LYS 50 6.601 -2.583 -13.229
464 HD3 LYS 50 1HD LYS 50 6.614 -4.346 -13.308
465 HE2 LYS 50 2HE LYS 50 4.193 -2.669 -13.938
466 HE3 LYS 50 1HE LYS 50 5.359 -3.188 -15.154
467 HZ1 LYS 50 3HZ LYS 50 4.820 -5.435 -14.791
468 HZ2 LYS 50 1HZ LYS 50 3.337 -4.622 -14.896
469 HZ3 LYS 50 2HZ LYS 50 3.944 -5.097 -13.383
470 H GLN 51 H GLN 51 6.446 -5.917 -8.721
471 HA GLN 51 HA GLN 51 3.936 -7.081 -9.080
472 HB2 GLN 51 2HB GLN 51 6.214 -7.917 -7.286
473 HB3 GLN 51 1HB GLN 51 4.823 -8.921 -7.653
474 HG2 GLN 51 2HG GLN 51 5.427 -8.949 -9.996
475 HG3 GLN 51 1HG GLN 51 6.790 -7.879 -9.671
476 HE21 GLN 51 1HE2 GLN 51 7.364 -9.216 -7.120
477 HE22 GLN 51 2HE2 GLN 51 8.140 -10.702 -7.534
478 H ALA 52 H ALA 52 5.435 -5.634 -6.238
479 HA ALA 52 HA ALA 52 3.414 -6.412 -4.400
480 HB1 ALA 52 3HB ALA 52 5.366 -4.127 -4.158
481 HB2 ALA 52 1HB ALA 52 5.712 -5.803 -3.731
482 HB3 ALA 52 2HB ALA 52 4.477 -4.906 -2.846
483 H ILE 53 H ILE 53 3.998 -3.423 -6.232
484 HA ILE 53 HA ILE 53 1.919 -1.910 -5.116
485 HB ILE 53 HB ILE 53 3.111 -1.751 -7.886
486 HG12 ILE 53 2HG1 ILE 53 4.738 -1.366 -6.116
487 HG13 ILE 53 1HG1 ILE 53 4.378 0.146 -6.941
488 HG21 ILE 53 1HG2 ILE 53 2.198 0.542 -7.948
489 HG22 ILE 53 2HG2 ILE 53 1.329 0.212 -6.449
490 HG23 ILE 53 3HG2 ILE 53 0.940 -0.693 -7.912
491 HD11 ILE 53 3HD1 ILE 53 4.545 0.467 -4.546
492 HD12 ILE 53 1HD1 ILE 53 3.268 -0.721 -4.281
493 HD13 ILE 53 2HD1 ILE 53 2.907 0.796 -5.109
494 H LEU 54 H LEU 54 1.951 -3.932 -8.052
495 HA LEU 54 HA LEU 54 -0.769 -3.552 -8.694
496 HG LEU 54 HG LEU 54 -0.499 -3.823 -11.126
497 HB2 LEU 54 2HB LEU 54 1.305 -5.565 -9.441
498 HB3 LEU 54 1HB LEU 54 -0.371 -5.918 -9.810
499 HD11 LEU 54 1HD1 LEU 54 1.236 -2.547 -9.989
500 HD12 LEU 54 2HD1 LEU 54 1.540 -2.637 -11.725
501 HD13 LEU 54 3HD1 LEU 54 2.463 -3.649 -10.613
502 HD21 LEU 54 3HD2 LEU 54 0.833 -4.616 -13.011
503 HD22 LEU 54 1HD2 LEU 54 -0.016 -5.939 -12.216
504 HD23 LEU 54 2HD2 LEU 54 1.708 -5.705 -11.933
505 H GLU 55 H GLU 55 0.888 -5.938 -6.697
506 HA GLU 55 HA GLU 55 -1.258 -7.629 -6.120
507 HB2 GLU 55 2HB GLU 55 1.097 -8.098 -5.514
508 HB3 GLU 55 1HB GLU 55 1.025 -6.828 -4.302
509 HG2 GLU 55 2HG GLU 55 0.741 -8.810 -3.113
510 HG3 GLU 55 1HG GLU 55 -0.881 -8.137 -3.258
511 H LEU 56 H LEU 56 -0.072 -4.777 -4.361
512 HA LEU 56 HA LEU 56 -2.028 -4.820 -2.343
513 HG LEU 56 HG LEU 56 1.052 -4.165 -2.414
514 HB2 LEU 56 2HB LEU 56 -0.413 -2.518 -3.439
515 HB3 LEU 56 1HB LEU 56 -1.390 -2.434 -1.986
516 HD11 LEU 56 1HD1 LEU 56 1.537 -1.801 -2.046
517 HD12 LEU 56 2HD1 LEU 56 2.034 -2.786 -0.670
518 HD13 LEU 56 3HD1 LEU 56 0.556 -1.828 -0.579
519 HD21 LEU 56 3HD2 LEU 56 -0.621 -5.326 -1.052
520 HD22 LEU 56 1HD2 LEU 56 -0.715 -3.929 0.020
521 HD23 LEU 56 2HD2 LEU 56 0.784 -4.851 -0.096
522 H ASN 57 H ASN 57 -1.898 -3.090 -5.434
523 HA ASN 57 HA ASN 57 -4.254 -1.598 -5.081
524 HB2 ASN 57 2HB ASN 57 -2.361 -2.019 -7.179
525 HB3 ASN 57 1HB ASN 57 -3.981 -2.192 -7.846
526 HD21 ASN 57 1HD2 ASN 57 -3.170 -0.170 -5.108
527 HD22 ASN 57 2HD2 ASN 57 -3.480 1.336 -5.892
528 H GLU 58 H GLU 58 -3.712 -4.801 -6.473
529 HA GLU 58 HA GLU 58 -6.371 -5.305 -7.258
530 HB2 GLU 58 2HB GLU 58 -4.401 -6.692 -7.896
531 HB3 GLU 58 1HB GLU 58 -4.336 -7.296 -6.250
532 HG2 GLU 58 2HG GLU 58 -6.664 -8.133 -6.543
533 HG3 GLU 58 1HG GLU 58 -6.545 -7.699 -8.246
534 H LEU 59 H LEU 59 -4.581 -6.092 -4.329
535 HA LEU 59 HA LEU 59 -6.617 -7.365 -2.922
536 HG LEU 59 HG LEU 59 -5.895 -6.377 -0.004
537 HB2 LEU 59 2HB LEU 59 -4.213 -7.354 -2.312
538 HB3 LEU 59 1HB LEU 59 -4.380 -5.694 -1.775
539 HD11 LEU 59 1HD1 LEU 59 -7.001 -8.235 -1.114
540 HD12 LEU 59 2HD1 LEU 59 -6.323 -8.757 0.428
541 HD13 LEU 59 3HD1 LEU 59 -5.505 -9.166 -1.079
542 HD21 LEU 59 3HD2 LEU 59 -3.406 -8.074 -0.110
543 HD22 LEU 59 1HD2 LEU 59 -4.324 -7.680 1.344
544 HD23 LEU 59 2HD2 LEU 59 -3.498 -6.401 0.448
545 H ILE 60 H ILE 60 -5.888 -3.914 -3.210
546 HA ILE 60 HA ILE 60 -7.699 -2.909 -1.333
547 HB ILE 60 HB ILE 60 -6.953 -1.753 -4.031
548 HG12 ILE 60 2HG1 ILE 60 -5.941 -1.082 -1.261
549 HG13 ILE 60 1HG1 ILE 60 -5.074 -2.066 -2.436
550 HG21 ILE 60 1HG2 ILE 60 -7.754 0.396 -3.146
551 HG22 ILE 60 2HG2 ILE 60 -8.347 -0.433 -1.706
552 HG23 ILE 60 3HG2 ILE 60 -9.048 -0.794 -3.284
553 HD11 ILE 60 3HD1 ILE 60 -4.226 0.206 -2.378
554 HD12 ILE 60 1HD1 ILE 60 -5.831 0.825 -2.772
555 HD13 ILE 60 2HD1 ILE 60 -4.954 -0.159 -3.943
556 H GLU 61 H GLU 61 -8.201 -3.527 -4.800
557 HA GLU 61 HA GLU 61 -10.981 -3.004 -4.747
558 HB2 GLU 61 2HB GLU 61 -9.248 -4.490 -6.717
559 HB3 GLU 61 1HB GLU 61 -10.962 -4.190 -6.979
560 HG2 GLU 61 2HG GLU 61 -8.926 -2.027 -6.498
561 HG3 GLU 61 1HG GLU 61 -9.445 -2.564 -8.095
562 H ALA 62 H ALA 62 -9.088 -5.895 -4.223
563 HA ALA 62 HA ALA 62 -11.153 -7.789 -4.320
564 HB1 ALA 62 3HB ALA 62 -8.698 -7.840 -2.568
565 HB2 ALA 62 1HB ALA 62 -8.761 -8.373 -4.247
566 HB3 ALA 62 2HB ALA 62 -9.694 -9.222 -3.018
567 H GLN 63 H GLN 63 -9.882 -5.885 -1.594
568 HA GLN 63 HA GLN 63 -11.754 -6.918 0.279
569 HB2 GLN 63 2HB GLN 63 -10.056 -4.420 0.332
570 HB3 GLN 63 1HB GLN 63 -11.026 -4.981 1.691
571 HG2 GLN 63 2HG GLN 63 -9.753 -7.094 1.675
572 HG3 GLN 63 1HG GLN 63 -8.742 -6.447 0.387
573 HE21 GLN 63 1HE2 GLN 63 -6.896 -6.623 1.643
574 HE22 GLN 63 2HE2 GLN 63 -6.562 -5.542 2.945
575 H ASN 64 H ASN 64 -11.789 -4.284 -1.986
576 HA ASN 64 HA ASN 64 -14.110 -2.977 -0.961
577 HB2 ASN 64 2HB ASN 64 -12.711 -2.891 -3.628
578 HB3 ASN 64 1HB ASN 64 -14.192 -1.993 -3.332
579 HD21 ASN 64 1HD2 ASN 64 -11.570 -0.994 -4.001
580 HD22 ASN 64 2HD2 ASN 64 -11.095 0.043 -2.701
581 H HIS 65 H HIS 65 -13.848 -5.990 -2.232
582 HA HIS 65 HA HIS 65 -16.647 -5.937 -3.137
583 HD1 HIS 65 HD1 HIS 65 -13.369 -5.375 -5.698
584 HD2 HIS 65 HD2 HIS 65 -17.493 -5.663 -6.136
585 HE1 HIS 65 HE1 HIS 65 -13.978 -3.712 -7.487
586 HE2 HIS 65 HE2 HIS 65 -16.490 -3.830 -7.670
587 HB2 HIS 65 2HB HIS 65 -14.341 -7.345 -4.490
588 HB3 HIS 65 1HB HIS 65 -16.025 -7.746 -4.802
589 H GLN 66 H GLN 66 -14.067 -8.303 -2.565
590 HA GLN 66 HA GLN 66 -15.684 -10.450 -1.892
591 HB2 GLN 66 2HB GLN 66 -13.264 -10.504 -2.499
592 HB3 GLN 66 1HB GLN 66 -12.886 -9.897 -0.896
593 HG2 GLN 66 2HG GLN 66 -13.949 -11.920 0.061
594 HG3 GLN 66 1HG GLN 66 -14.158 -12.531 -1.581
595 HE21 GLN 66 1HE2 GLN 66 -12.625 -13.659 0.604
596 HE22 GLN 66 2HE2 GLN 66 -10.983 -13.768 0.051
597 H THR 67 H THR 67 -13.821 -8.424 0.394
598 HA THR 67 HA THR 67 -15.532 -9.455 2.536
599 HB THR 67 HB THR 67 -13.119 -9.805 2.838
600 HG1 THR 67 HG1 THR 67 -14.472 -8.043 4.598
601 HG21 THR 67 3HG2 THR 67 -12.933 -6.791 2.845
602 HG22 THR 67 1HG2 THR 67 -12.273 -7.873 1.616
603 HG23 THR 67 2HG2 THR 67 -11.627 -7.905 3.256
604 H LYS 68 H LYS 68 -16.259 -7.288 0.642
605 HA LYS 68 HA LYS 68 -16.163 -4.797 1.963
606 HB2 LYS 68 2HB LYS 68 -16.704 -5.083 -0.452
607 HB3 LYS 68 1HB LYS 68 -18.256 -5.774 0.006
608 HG2 LYS 68 2HG LYS 68 -18.915 -3.680 1.032
609 HG3 LYS 68 1HG LYS 68 -17.336 -2.984 0.673
610 HD2 LYS 68 2HD LYS 68 -18.655 -2.151 -1.042
611 HD3 LYS 68 1HD LYS 68 -17.903 -3.560 -1.785
612 HE2 LYS 68 2HE LYS 68 -20.627 -3.644 -0.506
613 HE3 LYS 68 1HE LYS 68 -20.382 -3.242 -2.201
614 HZ1 LYS 68 3HZ LYS 68 -19.725 -5.811 -0.861
615 HZ2 LYS 68 1HZ LYS 68 -19.261 -5.431 -2.449
616 HZ3 LYS 68 2HZ LYS 68 -20.902 -5.536 -2.046
617 H THR 69 H THR 69 -18.378 -7.504 2.136
618 HA THR 69 HA THR 69 -20.072 -6.118 4.057
619 HB THR 69 HB THR 69 -21.305 -8.351 4.048
620 HG1 THR 69 HG1 THR 69 -19.428 -9.478 3.117
621 HG21 THR 69 3HG2 THR 69 -22.370 -7.902 1.876
622 HG22 THR 69 1HG2 THR 69 -21.040 -6.824 1.456
623 HG23 THR 69 2HG2 THR 69 -22.111 -6.421 2.799
624 H ALA 70 H ALA 70 -20.072 -6.505 6.216
625 HA ALA 70 HA ALA 70 -17.978 -8.106 7.366
626 HB1 ALA 70 3HB ALA 70 -18.757 -6.010 8.414
627 HB2 ALA 70 1HB ALA 70 -18.855 -7.391 9.506
628 HB3 ALA 70 2HB ALA 70 -20.314 -6.774 8.732
629 H LEU 71 H LEU 71 -18.410 -10.157 6.591
630 HA LEU 71 HA LEU 71 -20.953 -11.374 6.690
631 HG LEU 71 HG LEU 71 -17.894 -13.388 7.432
632 HB2 LEU 71 2HB LEU 71 -19.900 -13.348 5.885
633 HB3 LEU 71 1HB LEU 71 -19.164 -11.980 5.081
634 HD11 LEU 71 1HD1 LEU 71 -18.176 -14.964 5.590
635 HD12 LEU 71 2HD1 LEU 71 -16.478 -14.528 5.797
636 HD13 LEU 71 3HD1 LEU 71 -17.419 -13.817 4.484
637 HD21 LEU 71 3HD2 LEU 71 -16.838 -11.458 5.372
638 HD22 LEU 71 1HD2 LEU 71 -15.833 -12.341 6.520
639 HD23 LEU 71 2HD2 LEU 71 -17.017 -11.174 7.102
640 H GLU 72 H GLU 72 -21.952 -12.479 8.187
641 HA GLU 72 HA GLU 72 -22.404 -13.799 9.962
642 HB2 GLU 72 2HB GLU 72 -20.501 -15.135 8.971
643 HB3 GLU 72 1HB GLU 72 -19.444 -14.359 10.140
644 HG2 GLU 72 2HG GLU 72 -20.698 -15.326 11.965
645 HG3 GLU 72 1HG GLU 72 -21.839 -16.042 10.827
646 H HIS 73 H HIS 73 -21.449 -10.920 10.239
647 HA HIS 73 HA HIS 73 -20.371 -10.892 12.922
648 HD1 HIS 73 HD1 HIS 73 -18.146 -9.280 13.089
649 HD2 HIS 73 HD2 HIS 73 -21.432 -6.792 13.683
650 HE1 HIS 73 HE1 HIS 73 -17.505 -7.741 14.969
651 HE2 HIS 73 HE2 HIS 73 -19.542 -6.327 15.399
652 HB2 HIS 73 2HB HIS 73 -19.932 -9.139 11.068
653 HB3 HIS 73 1HB HIS 73 -21.504 -8.483 11.520
654 H HIS 74 H HIS 74 -23.418 -10.725 11.329
655 HA HIS 74 HA HIS 74 -25.566 -10.616 12.028
656 HD1 HIS 74 HD1 HIS 74 -24.948 -11.572 16.177
657 HD2 HIS 74 HD2 HIS 74 -22.752 -13.948 13.574
658 HE1 HIS 74 HE1 HIS 74 -23.142 -12.620 17.578
659 HE2 HIS 74 HE2 HIS 74 -21.863 -14.110 15.991
660 HB2 HIS 74 2HB HIS 74 -26.131 -12.199 13.853
661 HB3 HIS 74 1HB HIS 74 -25.079 -12.883 12.624
Start of MODEL 15
1 HA MET 1 HA MET 1 3.273 10.316 8.495
2 H1 MET 1 1H MET 1 4.704 8.716 6.460
3 H2 MET 1 2H MET 1 5.435 9.555 7.738
4 H3 MET 1 3H MET 1 4.612 10.407 6.529
5 HB2 MET 1 2HB MET 1 2.358 9.853 6.050
6 HB3 MET 1 1HB MET 1 1.989 8.273 6.729
7 HG2 MET 1 2HG MET 1 1.036 10.908 7.818
8 HG3 MET 1 1HG MET 1 0.090 9.815 6.817
9 HE1 MET 1 3HE MET 1 -1.703 10.231 8.885
10 HE2 MET 1 1HE MET 1 -0.500 11.072 9.867
11 HE3 MET 1 2HE MET 1 -1.388 9.703 10.536
12 H ARG 2 H ARG 2 3.739 6.989 7.239
13 HA ARG 2 HA ARG 2 4.019 6.085 10.003
14 HE ARG 2 HE ARG 2 3.518 2.627 12.210
15 HB2 ARG 2 2HB ARG 2 1.612 5.862 9.396
16 HB3 ARG 2 1HB ARG 2 2.079 4.803 8.074
17 HG2 ARG 2 2HG ARG 2 1.315 3.501 9.963
18 HG3 ARG 2 1HG ARG 2 3.034 3.221 9.682
19 HD2 ARG 2 2HD ARG 2 3.528 4.900 11.454
20 HD3 ARG 2 1HD ARG 2 1.800 4.985 11.795
21 HH11 ARG 2 1HH1 ARG 2 0.585 4.437 12.872
22 HH12 ARG 2 2HH1 ARG 2 0.077 3.373 14.159
23 HH21 ARG 2 1HH2 ARG 2 2.863 1.251 13.902
24 HH22 ARG 2 2HH2 ARG 2 1.371 1.565 14.740
25 H VAL 3 H VAL 3 5.364 4.353 10.247
26 HA VAL 3 HA VAL 3 6.526 3.222 7.798
27 HB VAL 3 HB VAL 3 8.157 4.359 9.229
28 HG11 VAL 3 1HG1 VAL 3 8.709 3.515 11.454
29 HG12 VAL 3 2HG1 VAL 3 7.365 2.376 11.357
30 HG13 VAL 3 3HG1 VAL 3 7.051 4.112 11.381
31 HG21 VAL 3 3HG2 VAL 3 9.780 2.555 9.457
32 HG22 VAL 3 1HG2 VAL 3 8.892 2.417 7.942
33 HG23 VAL 3 2HG2 VAL 3 8.492 1.361 9.297
34 H PHE 4 H PHE 4 6.612 1.026 7.514
35 HA PHE 4 HA PHE 4 5.158 -0.597 9.500
36 HD1 PHE 4 HD2 PHE 4 3.574 1.436 7.140
37 HD2 PHE 4 HD1 PHE 4 2.648 -2.548 8.306
38 HE1 PHE 4 HE2 PHE 4 1.237 2.096 7.525
39 HE2 PHE 4 HE1 PHE 4 0.306 -1.902 8.695
40 HZ PHE 4 HZ PHE 4 -0.403 0.429 8.305
41 HB2 PHE 4 2HB PHE 4 5.005 -0.568 6.511
42 HB3 PHE 4 1HB PHE 4 4.727 -2.082 7.365
43 HA PRO 5 HA PRO 5 9.147 -2.721 9.423
44 HB2 PRO 5 2HB PRO 5 8.359 -3.790 11.994
45 HB3 PRO 5 1HB PRO 5 9.649 -2.643 11.632
46 HG2 PRO 5 2HG PRO 5 7.389 -1.990 13.022
47 HG3 PRO 5 1HG PRO 5 8.335 -0.827 12.077
48 HD2 PRO 5 2HD PRO 5 5.793 -2.234 11.357
49 HD3 PRO 5 1HD PRO 5 6.279 -0.552 11.049
50 H VAL 6 H VAL 6 6.022 -3.659 9.143
51 HA VAL 6 HA VAL 6 6.758 -6.467 8.762
52 HB VAL 6 HB VAL 6 5.555 -6.438 10.855
53 HG11 VAL 6 1HG1 VAL 6 3.254 -5.587 11.030
54 HG12 VAL 6 2HG1 VAL 6 3.380 -4.949 9.392
55 HG13 VAL 6 3HG1 VAL 6 4.413 -4.310 10.668
56 HG21 VAL 6 3HG2 VAL 6 3.784 -7.399 8.610
57 HG22 VAL 6 1HG2 VAL 6 3.632 -7.871 10.303
58 HG23 VAL 6 2HG2 VAL 6 5.076 -8.311 9.392
59 H TYR 7 H TYR 7 6.088 -7.298 6.868
60 HA TYR 7 HA TYR 7 4.512 -5.570 5.127
61 HD1 TYR 7 HD1 TYR 7 5.387 -4.999 2.550
62 HD2 TYR 7 HD2 TYR 7 4.782 -9.198 2.884
63 HE1 TYR 7 HE1 TYR 7 4.409 -5.036 0.291
64 HE2 TYR 7 HE2 TYR 7 3.804 -9.241 0.634
65 HH TYR 7 HH TYR 7 4.018 -6.600 -1.519
66 HB2 TYR 7 2HB TYR 7 6.626 -6.437 4.236
67 HB3 TYR 7 1HB TYR 7 6.073 -8.087 4.500
68 H ALA 8 H ALA 8 2.432 -5.845 5.761
69 HA ALA 8 HA ALA 8 1.289 -8.503 5.246
70 HB1 ALA 8 3HB ALA 8 1.388 -8.128 7.685
71 HB2 ALA 8 1HB ALA 8 -0.270 -8.228 7.091
72 HB3 ALA 8 2HB ALA 8 0.433 -6.659 7.483
73 HA PRO 9 HA PRO 9 -0.452 -5.791 2.081
74 HB2 PRO 9 2HB PRO 9 -2.067 -8.296 1.794
75 HB3 PRO 9 1HB PRO 9 -1.321 -7.290 0.549
76 HG2 PRO 9 2HG PRO 9 -0.177 -9.562 1.282
77 HG3 PRO 9 1HG PRO 9 0.808 -8.121 0.968
78 HD2 PRO 9 2HD PRO 9 0.078 -9.383 3.565
79 HD3 PRO 9 1HD PRO 9 1.554 -8.515 3.105
80 H LYS 10 H LYS 10 -2.751 -7.973 3.718
81 HA LYS 10 HA LYS 10 -4.967 -6.293 3.338
82 HB2 LYS 10 2HB LYS 10 -6.112 -7.769 4.960
83 HB3 LYS 10 1HB LYS 10 -5.265 -8.653 3.701
84 HG2 LYS 10 2HG LYS 10 -3.376 -8.952 5.338
85 HG3 LYS 10 1HG LYS 10 -4.454 -8.306 6.573
86 HD2 LYS 10 2HD LYS 10 -4.958 -10.752 4.880
87 HD3 LYS 10 1HD LYS 10 -4.468 -10.748 6.573
88 HE2 LYS 10 2HE LYS 10 -6.543 -9.619 7.180
89 HE3 LYS 10 1HE LYS 10 -7.031 -9.590 5.485
90 HZ1 LYS 10 3HZ LYS 10 -6.561 -12.033 7.104
91 HZ2 LYS 10 1HZ LYS 10 -7.041 -12.004 5.477
92 HZ3 LYS 10 2HZ LYS 10 -8.080 -11.409 6.681
93 H LEU 11 H LEU 11 -2.586 -6.420 5.894
94 HA LEU 11 HA LEU 11 -4.049 -4.781 7.730
95 HG LEU 11 HG LEU 11 -1.427 -3.355 8.854
96 HB2 LEU 11 2HB LEU 11 -2.280 -6.234 8.542
97 HB3 LEU 11 1HB LEU 11 -1.103 -5.428 7.526
98 HD11 LEU 11 1HD1 LEU 11 -3.106 -5.114 10.634
99 HD12 LEU 11 2HD1 LEU 11 -3.697 -3.782 9.642
100 HD13 LEU 11 3HD1 LEU 11 -2.600 -3.461 10.984
101 HD21 LEU 11 3HD2 LEU 11 -0.631 -5.825 10.385
102 HD22 LEU 11 1HD2 LEU 11 -0.255 -4.170 10.864
103 HD23 LEU 11 2HD2 LEU 11 0.409 -4.828 9.368
104 H ILE 12 H ILE 12 -1.407 -4.221 5.437
105 HA ILE 12 HA ILE 12 -1.076 -1.485 5.918
106 HB ILE 12 HB ILE 12 -0.576 -3.024 3.364
107 HG12 ILE 12 2HG1 ILE 12 1.297 -2.270 5.622
108 HG13 ILE 12 1HG1 ILE 12 0.636 -3.878 5.344
109 HG21 ILE 12 1HG2 ILE 12 -0.696 -0.629 2.939
110 HG22 ILE 12 2HG2 ILE 12 0.965 -1.204 2.792
111 HG23 ILE 12 3HG2 ILE 12 0.460 -0.330 4.237
112 HD11 ILE 12 3HD1 ILE 12 2.487 -2.375 3.507
113 HD12 ILE 12 1HD1 ILE 12 1.804 -3.970 3.193
114 HD13 ILE 12 2HD1 ILE 12 2.909 -3.736 4.546
115 H VAL 13 H VAL 13 -3.037 -3.148 3.447
116 HA VAL 13 HA VAL 13 -4.042 -0.877 2.164
117 HB VAL 13 HB VAL 13 -5.266 -3.624 2.491
118 HG11 VAL 13 1HG1 VAL 13 -7.034 -2.010 2.000
119 HG12 VAL 13 2HG1 VAL 13 -6.732 -3.055 0.611
120 HG13 VAL 13 3HG1 VAL 13 -6.109 -1.403 0.627
121 HG21 VAL 13 3HG2 VAL 13 -3.148 -3.586 1.289
122 HG22 VAL 13 1HG2 VAL 13 -3.765 -2.332 0.212
123 HG23 VAL 13 2HG2 VAL 13 -4.478 -3.945 0.187
124 H LYS 14 H LYS 14 -5.409 -2.727 4.876
125 HA LYS 14 HA LYS 14 -7.800 -1.231 5.064
126 HB2 LYS 14 2HB LYS 14 -7.532 -3.475 6.041
127 HB3 LYS 14 1HB LYS 14 -6.379 -2.831 7.201
128 HG2 LYS 14 2HG LYS 14 -8.169 -1.363 8.087
129 HG3 LYS 14 1HG LYS 14 -9.306 -2.159 6.997
130 HD2 LYS 14 2HD LYS 14 -9.427 -3.118 9.235
131 HD3 LYS 14 1HD LYS 14 -8.828 -4.308 8.075
132 HE2 LYS 14 2HE LYS 14 -6.538 -3.856 8.801
133 HE3 LYS 14 1HE LYS 14 -7.135 -2.662 9.953
134 HZ1 LYS 14 3HZ LYS 14 -8.324 -4.397 11.110
135 HZ2 LYS 14 1HZ LYS 14 -6.680 -4.792 10.999
136 HZ3 LYS 14 2HZ LYS 14 -7.796 -5.556 9.982
137 H HIS 15 H HIS 15 -4.633 -0.887 6.568
138 HA HIS 15 HA HIS 15 -5.494 1.163 8.382
139 HD1 HIS 15 HD1 HIS 15 -1.010 1.498 9.359
140 HD2 HIS 15 HD2 HIS 15 -4.979 1.837 10.530
141 HE1 HIS 15 HE1 HIS 15 -0.968 2.826 11.490
142 HE2 HIS 15 HE2 HIS 15 -3.357 2.810 12.296
143 HB2 HIS 15 2HB HIS 15 -3.494 -0.469 8.626
144 HB3 HIS 15 1HB HIS 15 -2.630 0.669 7.602
145 H ALA 16 H ALA 16 -4.047 1.041 5.192
146 HA ALA 16 HA ALA 16 -3.437 3.839 5.048
147 HB1 ALA 16 3HB ALA 16 -2.949 3.413 2.706
148 HB2 ALA 16 1HB ALA 16 -3.705 1.824 2.822
149 HB3 ALA 16 2HB ALA 16 -2.228 2.166 3.724
150 H ARG 17 H ARG 17 -6.302 2.062 4.808
151 HA ARG 17 HA ARG 17 -7.746 3.469 2.871
152 HE ARG 17 HE ARG 17 -12.896 3.066 4.178
153 HB2 ARG 17 2HB ARG 17 -8.463 1.341 3.929
154 HB3 ARG 17 1HB ARG 17 -8.774 2.205 5.425
155 HG2 ARG 17 2HG ARG 17 -10.166 3.059 2.932
156 HG3 ARG 17 1HG ARG 17 -10.721 1.623 3.794
157 HD2 ARG 17 2HD ARG 17 -11.031 2.920 5.814
158 HD3 ARG 17 1HD ARG 17 -10.370 4.352 5.031
159 HH11 ARG 17 1HH1 ARG 17 -10.932 5.894 4.803
160 HH12 ARG 17 2HH1 ARG 17 -12.204 7.027 4.460
161 HH21 ARG 17 1HH2 ARG 17 -14.582 4.552 3.692
162 HH22 ARG 17 2HH2 ARG 17 -14.297 6.259 3.864
163 H ILE 18 H ILE 18 -6.825 4.337 6.101
164 HA ILE 18 HA ILE 18 -8.602 6.653 6.147
165 HB ILE 18 HB ILE 18 -6.542 5.815 8.199
166 HG12 ILE 18 2HG1 ILE 18 -9.515 5.251 8.165
167 HG13 ILE 18 1HG1 ILE 18 -8.264 4.066 7.808
168 HG21 ILE 18 1HG2 ILE 18 -7.828 7.231 9.726
169 HG22 ILE 18 2HG2 ILE 18 -8.909 7.675 8.406
170 HG23 ILE 18 3HG2 ILE 18 -7.214 8.156 8.355
171 HD11 ILE 18 3HD1 ILE 18 -8.648 5.490 10.431
172 HD12 ILE 18 1HD1 ILE 18 -7.394 4.302 10.075
173 HD13 ILE 18 2HD1 ILE 18 -9.090 3.820 10.074
174 H PHE 19 H PHE 19 -5.334 5.791 5.500
175 HA PHE 19 HA PHE 19 -4.409 8.565 5.664
176 HD1 PHE 19 HD1 PHE 19 -3.715 8.803 7.721
177 HD2 PHE 19 HD2 PHE 19 -2.434 4.767 7.296
178 HE1 PHE 19 HE1 PHE 19 -3.865 8.505 10.157
179 HE2 PHE 19 HE2 PHE 19 -2.584 4.463 9.733
180 HZ PHE 19 HZ PHE 19 -3.301 6.331 11.166
181 HB2 PHE 19 2HB PHE 19 -2.797 6.018 5.408
182 HB3 PHE 19 1HB PHE 19 -2.147 7.638 5.642
183 H LEU 20 H LEU 20 -5.910 6.974 3.477
184 HA LEU 20 HA LEU 20 -4.761 6.177 1.297
185 HG LEU 20 HG LEU 20 -7.197 8.549 2.581
186 HB2 LEU 20 2HB LEU 20 -6.580 7.264 -0.051
187 HB3 LEU 20 1HB LEU 20 -7.070 6.270 1.304
188 HD11 LEU 20 1HD1 LEU 20 -7.885 10.407 1.142
189 HD12 LEU 20 2HD1 LEU 20 -7.483 9.447 -0.282
190 HD13 LEU 20 3HD1 LEU 20 -6.214 9.933 0.842
191 HD21 LEU 20 3HD2 LEU 20 -9.531 8.775 1.901
192 HD22 LEU 20 1HD2 LEU 20 -9.087 7.086 2.138
193 HD23 LEU 20 2HD2 LEU 20 -9.224 7.739 0.506
194 H THR 21 H THR 21 -4.556 9.654 2.035
195 HA THR 21 HA THR 21 -2.625 9.723 -0.181
196 HB THR 21 HB THR 21 -4.388 11.235 -0.780
197 HG1 THR 21 HG1 THR 21 -1.911 11.941 -0.588
198 HG21 THR 21 3HG2 THR 21 -5.004 13.170 0.620
199 HG22 THR 21 1HG2 THR 21 -4.004 12.525 1.923
200 HG23 THR 21 2HG2 THR 21 -5.422 11.631 1.372
201 H GLY 22 H GLY 22 -0.777 9.248 0.878
202 HA2 GLY 22 2HA GLY 22 0.402 11.217 2.560
203 HA3 GLY 22 1HA GLY 22 -0.130 9.835 3.502
204 H VAL 23 H VAL 23 2.237 9.850 3.953
205 HA VAL 23 HA VAL 23 3.752 8.430 1.854
206 HB VAL 23 HB VAL 23 4.919 9.929 4.198
207 HG11 VAL 23 1HG1 VAL 23 6.140 8.939 1.625
208 HG12 VAL 23 2HG1 VAL 23 6.375 8.252 3.232
209 HG13 VAL 23 3HG1 VAL 23 6.979 9.869 2.868
210 HG21 VAL 23 3HG2 VAL 23 5.439 11.740 2.591
211 HG22 VAL 23 1HG2 VAL 23 3.711 11.542 2.890
212 HG23 VAL 23 2HG2 VAL 23 4.422 10.928 1.398
213 H ILE 24 H ILE 24 4.207 6.344 2.263
214 HA ILE 24 HA ILE 24 4.198 5.476 5.086
215 HB ILE 24 HB ILE 24 2.257 4.569 3.867
216 HG12 ILE 24 2HG1 ILE 24 4.365 2.488 4.492
217 HG13 ILE 24 1HG1 ILE 24 3.240 3.207 5.641
218 HG21 ILE 24 1HG2 ILE 24 2.574 2.960 2.047
219 HG22 ILE 24 2HG2 ILE 24 4.303 3.318 2.045
220 HG23 ILE 24 3HG2 ILE 24 3.141 4.576 1.619
221 HD11 ILE 24 3HD1 ILE 24 2.559 0.964 4.956
222 HD12 ILE 24 1HD1 ILE 24 2.464 1.507 3.280
223 HD13 ILE 24 2HD1 ILE 24 1.372 2.182 4.490
224 H TRP 25 H TRP 25 5.863 4.054 5.707
225 HA TRP 25 HA TRP 25 7.901 3.601 3.625
226 HD1 TRP 25 HD1 TRP 25 10.258 1.850 5.137
227 HE1 TRP 25 HE1 TRP 25 12.648 2.310 4.303
228 HE3 TRP 25 HE3 TRP 25 10.059 6.955 4.935
229 HZ2 TRP 25 HZ2 TRP 25 14.237 4.550 3.653
230 HZ3 TRP 25 HZ3 TRP 25 12.063 8.182 4.198
231 HH2 TRP 25 HH2 TRP 25 14.105 7.005 3.572
232 HB2 TRP 25 2HB TRP 25 8.447 5.268 5.532
233 HB3 TRP 25 1HB TRP 25 8.568 3.838 6.552
234 H VAL 26 H VAL 26 7.722 1.543 3.073
235 HA VAL 26 HA VAL 26 7.140 -0.472 5.118
236 HB VAL 26 HB VAL 26 7.456 -0.955 2.159
237 HG11 VAL 26 1HG1 VAL 26 6.038 -2.904 2.588
238 HG12 VAL 26 2HG1 VAL 26 5.996 -2.490 4.302
239 HG13 VAL 26 3HG1 VAL 26 7.520 -2.947 3.542
240 HG21 VAL 26 3HG2 VAL 26 5.761 0.770 2.454
241 HG22 VAL 26 1HG2 VAL 26 4.923 -0.243 3.631
242 HG23 VAL 26 2HG2 VAL 26 5.027 -0.751 1.944
243 H LYS 27 H LYS 27 8.477 -2.359 5.284
244 HA LYS 27 HA LYS 27 11.210 -1.756 5.453
245 HB2 LYS 27 2HB LYS 27 10.194 -3.397 6.910
246 HB3 LYS 27 1HB LYS 27 9.791 -4.416 5.534
247 HG2 LYS 27 2HG LYS 27 12.106 -4.883 5.124
248 HG3 LYS 27 1HG LYS 27 12.605 -3.727 6.361
249 HD2 LYS 27 2HD LYS 27 10.961 -6.203 6.878
250 HD3 LYS 27 1HD LYS 27 12.705 -6.088 7.112
251 HE2 LYS 27 2HE LYS 27 10.589 -4.484 8.547
252 HE3 LYS 27 1HE LYS 27 11.553 -5.795 9.226
253 HZ1 LYS 27 3HZ LYS 27 12.481 -3.715 9.900
254 HZ2 LYS 27 1HZ LYS 27 12.546 -3.152 8.303
255 HZ3 LYS 27 2HZ LYS 27 13.549 -4.426 8.785
256 H ASP 28 H ASP 28 9.527 -3.956 3.223
257 HA ASP 28 HA ASP 28 11.953 -4.425 1.739
258 HB2 ASP 28 2HB ASP 28 10.371 -6.253 2.039
259 HB3 ASP 28 1HB ASP 28 9.112 -5.327 1.224
260 H LEU 29 H LEU 29 8.887 -2.763 1.149
261 HA LEU 29 HA LEU 29 9.581 -2.127 -1.562
262 HG LEU 29 HG LEU 29 7.142 -3.560 -0.164
263 HB2 LEU 29 2HB LEU 29 7.298 -1.127 0.139
264 HB3 LEU 29 1HB LEU 29 7.450 -0.919 -1.595
265 HD11 LEU 29 1HD1 LEU 29 4.938 -3.616 -1.217
266 HD12 LEU 29 2HD1 LEU 29 5.204 -1.996 -1.860
267 HD13 LEU 29 3HD1 LEU 29 5.100 -2.247 -0.117
268 HD21 LEU 29 3HD2 LEU 29 7.280 -2.907 -3.104
269 HD22 LEU 29 1HD2 LEU 29 6.871 -4.484 -2.426
270 HD23 LEU 29 2HD2 LEU 29 8.476 -3.802 -2.168
271 H GLY 30 H GLY 30 9.818 -0.533 1.517
272 HA2 GLY 30 2HA GLY 30 11.206 1.291 1.977
273 HA3 GLY 30 1HA GLY 30 11.290 1.631 0.254
274 H ARG 31 H ARG 31 10.901 3.831 0.706
275 HA ARG 31 HA ARG 31 8.487 4.689 1.985
276 HE ARG 31 HE ARG 31 11.331 7.854 -0.153
277 HB2 ARG 31 2HB ARG 31 10.429 6.110 2.106
278 HB3 ARG 31 1HB ARG 31 10.564 6.153 0.355
279 HG2 ARG 31 2HG ARG 31 8.409 7.351 0.250
280 HG3 ARG 31 1HG ARG 31 8.369 7.374 2.014
281 HD2 ARG 31 2HD ARG 31 9.206 9.485 1.091
282 HD3 ARG 31 1HD ARG 31 10.423 8.665 2.068
283 HH11 ARG 31 1HH1 ARG 31 9.524 10.847 0.133
284 HH12 ARG 31 2HH1 ARG 31 10.391 11.642 -1.153
285 HH21 ARG 31 1HH2 ARG 31 12.467 8.897 -1.846
286 HH22 ARG 31 2HH2 ARG 31 12.041 10.520 -2.299
287 H LEU 32 H LEU 32 6.540 4.787 1.096
288 HA LEU 32 HA LEU 32 6.352 4.857 -1.847
289 HG LEU 32 HG LEU 32 6.602 2.144 -0.167
290 HB2 LEU 32 2HB LEU 32 4.495 3.417 0.053
291 HB3 LEU 32 1HB LEU 32 4.356 3.466 -1.692
292 HD11 LEU 32 1HD1 LEU 32 4.247 0.954 -1.630
293 HD12 LEU 32 2HD1 LEU 32 4.469 0.995 0.119
294 HD13 LEU 32 3HD1 LEU 32 5.572 0.055 -0.887
295 HD21 LEU 32 3HD2 LEU 32 7.221 1.212 -2.337
296 HD22 LEU 32 1HD2 LEU 32 7.295 2.973 -2.361
297 HD23 LEU 32 2HD2 LEU 32 5.935 2.136 -3.112
298 H GLU 33 H GLU 33 4.923 6.270 -2.688
299 HA GLU 33 HA GLU 33 3.281 7.811 -0.802
300 HB2 GLU 33 2HB GLU 33 4.154 8.452 -3.626
301 HB3 GLU 33 1HB GLU 33 3.041 9.437 -2.686
302 HG2 GLU 33 2HG GLU 33 4.812 9.778 -1.009
303 HG3 GLU 33 1HG GLU 33 5.922 8.866 -2.035
304 H PHE 34 H PHE 34 1.095 7.776 -0.988
305 HA PHE 34 HA PHE 34 -0.018 6.364 -3.293
306 HD1 PHE 34 HD2 PHE 34 1.507 5.819 0.157
307 HD2 PHE 34 HD1 PHE 34 -2.734 5.517 0.275
308 HE1 PHE 34 HE2 PHE 34 1.562 6.066 2.602
309 HE2 PHE 34 HE1 PHE 34 -2.683 5.753 2.722
310 HZ PHE 34 HZ PHE 34 -0.532 6.025 3.889
311 HB2 PHE 34 2HB PHE 34 -1.669 5.244 -1.724
312 HB3 PHE 34 1HB PHE 34 -0.024 4.633 -1.693
313 H GLU 35 H GLU 35 -2.003 6.996 -3.967
314 HA GLU 35 HA GLU 35 -3.100 9.401 -2.673
315 HB2 GLU 35 2HB GLU 35 -1.750 10.030 -4.655
316 HB3 GLU 35 1HB GLU 35 -2.731 8.964 -5.650
317 HG2 GLU 35 2HG GLU 35 -4.698 10.333 -5.177
318 HG3 GLU 35 1HG GLU 35 -3.712 11.401 -4.180
319 H LYS 36 H LYS 36 -5.146 9.091 -2.135
320 HA LYS 36 HA LYS 36 -7.314 8.411 -2.131
321 HB2 LYS 36 2HB LYS 36 -6.782 7.784 -5.045
322 HB3 LYS 36 1HB LYS 36 -8.371 7.815 -4.292
323 HG2 LYS 36 2HG LYS 36 -8.148 10.176 -3.834
324 HG3 LYS 36 1HG LYS 36 -6.505 10.171 -4.477
325 HD2 LYS 36 2HD LYS 36 -7.323 9.622 -6.679
326 HD3 LYS 36 1HD LYS 36 -8.968 9.455 -6.064
327 HE2 LYS 36 2HE LYS 36 -7.348 11.999 -6.018
328 HE3 LYS 36 1HE LYS 36 -8.584 11.605 -7.214
329 HZ1 LYS 36 3HZ LYS 36 -9.044 11.865 -4.289
330 HZ2 LYS 36 1HZ LYS 36 -10.226 11.516 -5.457
331 HZ3 LYS 36 2HZ LYS 36 -9.452 13.024 -5.457
332 H GLY 37 H GLY 37 -5.096 6.584 -1.525
333 HA2 GLY 37 2HA GLY 37 -5.215 4.415 -0.632
334 HA3 GLY 37 1HA GLY 37 -6.622 4.098 -1.635
335 H ARG 38 H ARG 38 -4.898 5.339 -3.908
336 HA ARG 38 HA ARG 38 -3.915 2.776 -4.834
337 HE ARG 38 HE ARG 38 -3.712 6.219 -7.787
338 HB2 ARG 38 2HB ARG 38 -3.539 5.433 -6.205
339 HB3 ARG 38 1HB ARG 38 -3.521 3.835 -6.928
340 HG2 ARG 38 2HG ARG 38 -5.898 3.616 -6.601
341 HG3 ARG 38 1HG ARG 38 -5.953 5.163 -5.747
342 HD2 ARG 38 2HD ARG 38 -5.442 4.623 -8.651
343 HD3 ARG 38 1HD ARG 38 -6.613 5.718 -7.914
344 HH11 ARG 38 1HH1 ARG 38 -6.964 7.300 -8.501
345 HH12 ARG 38 2HH1 ARG 38 -6.479 8.957 -8.759
346 HH21 ARG 38 1HH2 ARG 38 -3.079 8.380 -8.161
347 HH22 ARG 38 2HH2 ARG 38 -4.281 9.561 -8.575
348 H PHE 39 H PHE 39 -2.237 2.141 -3.848
349 HA PHE 39 HA PHE 39 0.038 3.535 -3.090
350 HD1 PHE 39 HD2 PHE 39 1.760 1.977 -1.322
351 HD2 PHE 39 HD1 PHE 39 -2.190 0.555 -2.018
352 HE1 PHE 39 HE2 PHE 39 1.415 1.760 1.104
353 HE2 PHE 39 HE1 PHE 39 -2.547 0.346 0.407
354 HZ PHE 39 HZ PHE 39 -0.740 0.946 1.969
355 HB2 PHE 39 2HB PHE 39 -0.662 0.733 -3.801
356 HB3 PHE 39 1HB PHE 39 1.040 1.137 -3.535
357 H LEU 40 H LEU 40 1.411 4.655 -4.319
358 HA LEU 40 HA LEU 40 1.633 4.021 -7.166
359 HG LEU 40 HG LEU 40 0.309 6.463 -5.584
360 HB2 LEU 40 2HB LEU 40 2.780 6.363 -5.643
361 HB3 LEU 40 1HB LEU 40 2.713 6.183 -7.385
362 HD11 LEU 40 1HD1 LEU 40 1.608 8.516 -5.654
363 HD12 LEU 40 2HD1 LEU 40 0.101 8.697 -6.551
364 HD13 LEU 40 3HD1 LEU 40 1.619 8.461 -7.416
365 HD21 LEU 40 3HD2 LEU 40 0.534 6.489 -8.589
366 HD22 LEU 40 1HD2 LEU 40 -0.937 6.751 -7.651
367 HD23 LEU 40 2HD2 LEU 40 -0.139 5.178 -7.619
368 H LEU 41 H LEU 41 3.264 2.848 -7.868
369 HA LEU 41 HA LEU 41 5.383 2.082 -6.108
370 HG LEU 41 HG LEU 41 3.978 2.170 -9.482
371 HB2 LEU 41 2HB LEU 41 6.190 0.768 -8.070
372 HB3 LEU 41 1HB LEU 41 4.554 0.403 -7.566
373 HD11 LEU 41 1HD1 LEU 41 6.285 2.668 -10.048
374 HD12 LEU 41 2HD1 LEU 41 5.475 1.869 -11.397
375 HD13 LEU 41 3HD1 LEU 41 6.591 0.962 -10.376
376 HD21 LEU 41 3HD2 LEU 41 3.640 0.285 -10.990
377 HD22 LEU 41 1HD2 LEU 41 3.155 -0.122 -9.344
378 HD23 LEU 41 2HD2 LEU 41 4.687 -0.717 -9.985
379 HA PRO 42 HA PRO 42 8.304 5.202 -7.358
380 HB2 PRO 42 2HB PRO 42 10.536 4.071 -6.324
381 HB3 PRO 42 1HB PRO 42 9.308 4.843 -5.312
382 HG2 PRO 42 2HG PRO 42 9.734 1.937 -5.886
383 HG3 PRO 42 1HG PRO 42 9.352 2.731 -4.347
384 HD2 PRO 42 2HD PRO 42 7.483 1.476 -5.871
385 HD3 PRO 42 1HD PRO 42 7.110 2.862 -4.828
386 H ARG 43 H ARG 43 10.383 5.315 -8.588
387 HA ARG 43 HA ARG 43 10.266 3.388 -10.785
388 HE ARG 43 HE ARG 43 11.455 7.144 -13.219
389 HB2 ARG 43 2HB ARG 43 11.516 5.016 -12.056
390 HB3 ARG 43 1HB ARG 43 10.177 5.825 -11.255
391 HG2 ARG 43 2HG ARG 43 11.778 6.556 -9.481
392 HG3 ARG 43 1HG ARG 43 13.080 5.882 -10.461
393 HD2 ARG 43 2HD ARG 43 11.256 8.181 -11.114
394 HD3 ARG 43 1HD ARG 43 13.014 8.187 -10.958
395 HH11 ARG 43 1HH1 ARG 43 14.574 7.902 -11.792
396 HH12 ARG 43 2HH1 ARG 43 15.418 7.798 -13.307
397 HH21 ARG 43 1HH2 ARG 43 12.567 6.997 -15.183
398 HH22 ARG 43 2HH2 ARG 43 14.283 7.272 -15.241
399 H LYS 44 H LYS 44 11.463 2.817 -8.148
400 HA LYS 44 HA LYS 44 14.102 1.942 -9.060
401 HB2 LYS 44 2HB LYS 44 14.111 4.167 -7.688
402 HB3 LYS 44 1HB LYS 44 13.769 3.127 -6.316
403 HG2 LYS 44 2HG LYS 44 16.125 3.578 -6.434
404 HG3 LYS 44 1HG LYS 44 15.834 1.873 -6.777
405 HD2 LYS 44 2HD LYS 44 17.509 2.911 -8.285
406 HD3 LYS 44 1HD LYS 44 16.118 2.244 -9.139
407 HE2 LYS 44 2HE LYS 44 16.815 4.440 -10.019
408 HE3 LYS 44 1HE LYS 44 15.166 4.447 -9.399
409 HZ1 LYS 44 3HZ LYS 44 17.491 5.369 -7.800
410 HZ2 LYS 44 1HZ LYS 44 15.845 5.611 -7.477
411 HZ3 LYS 44 2HZ LYS 44 16.585 6.405 -8.780
412 H SER 45 H SER 45 14.482 -0.132 -8.471
413 HA SER 45 HA SER 45 14.244 -2.187 -7.527
414 HG SER 45 HG SER 45 15.134 -0.280 -5.749
415 HB2 SER 45 2HB SER 45 12.813 -0.706 -5.309
416 HB3 SER 45 1HB SER 45 13.319 -2.394 -5.242
417 H LEU 46 H LEU 46 12.076 -0.626 -9.052
418 HA LEU 46 HA LEU 46 9.560 -1.529 -8.335
419 HG LEU 46 HG LEU 46 10.793 -1.694 -11.874
420 HB2 LEU 46 2HB LEU 46 8.786 -0.862 -10.509
421 HB3 LEU 46 1HB LEU 46 9.874 0.325 -9.837
422 HD11 LEU 46 1HD1 LEU 46 9.651 1.051 -12.365
423 HD12 LEU 46 2HD1 LEU 46 8.912 -0.482 -12.829
424 HD13 LEU 46 3HD1 LEU 46 10.429 0.028 -13.573
425 HD21 LEU 46 3HD2 LEU 46 11.848 0.975 -10.941
426 HD22 LEU 46 1HD2 LEU 46 12.458 0.105 -12.350
427 HD23 LEU 46 2HD2 LEU 46 12.604 -0.607 -10.748
428 HA PRO 47 HA PRO 47 10.495 -5.379 -11.447
429 HB2 PRO 47 2HB PRO 47 12.753 -6.034 -9.585
430 HB3 PRO 47 1HB PRO 47 12.492 -6.552 -11.256
431 HG2 PRO 47 2HG PRO 47 14.188 -4.585 -10.704
432 HG3 PRO 47 1HG PRO 47 13.138 -4.508 -12.130
433 HD2 PRO 47 2HD PRO 47 12.976 -3.001 -9.582
434 HD3 PRO 47 1HD PRO 47 12.426 -2.543 -11.203
435 H LYS 48 H LYS 48 11.133 -5.092 -7.941
436 HA LYS 48 HA LYS 48 9.301 -7.338 -7.500
437 HB2 LYS 48 2HB LYS 48 10.119 -7.440 -5.238
438 HB3 LYS 48 1HB LYS 48 11.496 -7.377 -6.327
439 HG2 LYS 48 2HG LYS 48 11.896 -5.084 -5.795
440 HG3 LYS 48 1HG LYS 48 10.394 -4.983 -4.873
441 HD2 LYS 48 2HD LYS 48 11.286 -6.647 -3.290
442 HD3 LYS 48 1HD LYS 48 12.798 -6.680 -4.197
443 HE2 LYS 48 2HE LYS 48 13.120 -4.297 -3.737
444 HE3 LYS 48 1HE LYS 48 11.614 -4.275 -2.818
445 HZ1 LYS 48 3HZ LYS 48 12.562 -5.828 -1.253
446 HZ2 LYS 48 1HZ LYS 48 13.571 -4.469 -1.395
447 HZ3 LYS 48 2HZ LYS 48 13.995 -5.918 -2.158
448 H VAL 49 H VAL 49 9.632 -3.887 -6.986
449 HA VAL 49 HA VAL 49 7.599 -3.658 -5.020
450 HB VAL 49 HB VAL 49 8.751 -1.544 -6.853
451 HG11 VAL 49 1HG1 VAL 49 7.068 -1.219 -4.370
452 HG12 VAL 49 2HG1 VAL 49 6.536 -0.908 -6.021
453 HG13 VAL 49 3HG1 VAL 49 7.806 0.082 -5.303
454 HG21 VAL 49 3HG2 VAL 49 9.346 -2.255 -3.981
455 HG22 VAL 49 1HG2 VAL 49 10.028 -0.885 -4.858
456 HG23 VAL 49 2HG2 VAL 49 10.403 -2.531 -5.366
457 H LYS 50 H LYS 50 7.608 -3.231 -8.545
458 HA LYS 50 HA LYS 50 5.017 -2.238 -8.844
459 HB2 LYS 50 2HB LYS 50 6.576 -2.232 -10.692
460 HB3 LYS 50 1HB LYS 50 6.663 -3.987 -10.680
461 HG2 LYS 50 2HG LYS 50 4.362 -4.140 -11.408
462 HG3 LYS 50 1HG LYS 50 4.200 -2.384 -11.333
463 HD2 LYS 50 2HD LYS 50 5.870 -2.133 -13.078
464 HD3 LYS 50 1HD LYS 50 6.119 -3.879 -13.118
465 HE2 LYS 50 2HE LYS 50 3.465 -2.571 -13.674
466 HE3 LYS 50 1HE LYS 50 4.645 -2.931 -14.933
467 HZ1 LYS 50 3HZ LYS 50 2.918 -4.648 -14.693
468 HZ2 LYS 50 1HZ LYS 50 3.454 -4.967 -13.116
469 HZ3 LYS 50 2HZ LYS 50 4.475 -5.262 -14.434
470 H GLN 51 H GLN 51 6.179 -5.584 -8.827
471 HA GLN 51 HA GLN 51 3.716 -6.834 -9.274
472 HB2 GLN 51 2HB GLN 51 6.020 -7.877 -9.353
473 HB3 GLN 51 1HB GLN 51 5.979 -7.929 -7.598
474 HG2 GLN 51 2HG GLN 51 3.830 -9.217 -9.230
475 HG3 GLN 51 1HG GLN 51 5.356 -10.036 -8.921
476 HE21 GLN 51 1HE2 GLN 51 2.640 -10.712 -8.093
477 HE22 GLN 51 2HE2 GLN 51 2.678 -10.816 -6.369
478 H ALA 52 H ALA 52 5.324 -5.908 -6.242
479 HA ALA 52 HA ALA 52 3.330 -6.971 -4.526
480 HB1 ALA 52 3HB ALA 52 4.439 -5.711 -2.762
481 HB2 ALA 52 1HB ALA 52 5.354 -4.805 -3.970
482 HB3 ALA 52 2HB ALA 52 5.620 -6.537 -3.777
483 H ILE 53 H ILE 53 3.838 -3.796 -5.969
484 HA ILE 53 HA ILE 53 1.766 -2.453 -4.595
485 HB ILE 53 HB ILE 53 3.078 -1.912 -7.257
486 HG12 ILE 53 2HG1 ILE 53 4.537 -1.639 -5.331
487 HG13 ILE 53 1HG1 ILE 53 4.155 -0.066 -6.019
488 HG21 ILE 53 1HG2 ILE 53 2.051 0.325 -7.170
489 HG22 ILE 53 2HG2 ILE 53 1.085 -0.194 -5.790
490 HG23 ILE 53 3HG2 ILE 53 0.864 -0.963 -7.361
491 HD11 ILE 53 3HD1 ILE 53 2.494 0.288 -4.253
492 HD12 ILE 53 1HD1 ILE 53 4.115 0.025 -3.609
493 HD13 ILE 53 2HD1 ILE 53 2.923 -1.274 -3.554
494 H LEU 54 H LEU 54 1.851 -4.266 -7.643
495 HA LEU 54 HA LEU 54 -0.860 -3.776 -8.302
496 HG LEU 54 HG LEU 54 -0.918 -4.034 -10.686
497 HB2 LEU 54 2HB LEU 54 1.259 -5.581 -9.273
498 HB3 LEU 54 1HB LEU 54 -0.381 -6.156 -9.507
499 HD11 LEU 54 1HD1 LEU 54 2.050 -3.534 -10.513
500 HD12 LEU 54 2HD1 LEU 54 0.794 -2.614 -9.682
501 HD13 LEU 54 3HD1 LEU 54 0.885 -2.589 -11.443
502 HD21 LEU 54 3HD2 LEU 54 -0.358 -6.032 -11.937
503 HD22 LEU 54 1HD2 LEU 54 1.361 -5.647 -11.823
504 HD23 LEU 54 2HD2 LEU 54 0.282 -4.602 -12.747
505 H GLU 55 H GLU 55 0.746 -6.272 -6.382
506 HA GLU 55 HA GLU 55 -1.453 -7.904 -5.856
507 HB2 GLU 55 2HB GLU 55 0.910 -7.140 -4.145
508 HB3 GLU 55 1HB GLU 55 -0.309 -8.282 -3.598
509 HG2 GLU 55 2HG GLU 55 1.348 -8.598 -6.088
510 HG3 GLU 55 1HG GLU 55 1.691 -9.360 -4.535
511 H LEU 56 H LEU 56 -0.341 -5.029 -4.097
512 HA LEU 56 HA LEU 56 -2.410 -4.951 -2.206
513 HG LEU 56 HG LEU 56 0.645 -4.313 -2.224
514 HB2 LEU 56 2HB LEU 56 -0.800 -2.678 -3.365
515 HB3 LEU 56 1HB LEU 56 -1.805 -2.569 -1.934
516 HD11 LEU 56 1HD1 LEU 56 1.235 -1.975 -2.111
517 HD12 LEU 56 2HD1 LEU 56 1.627 -2.767 -0.584
518 HD13 LEU 56 3HD1 LEU 56 0.191 -1.751 -0.706
519 HD21 LEU 56 3HD2 LEU 56 0.368 -4.714 0.178
520 HD22 LEU 56 1HD2 LEU 56 -1.012 -5.308 -0.745
521 HD23 LEU 56 2HD2 LEU 56 -1.138 -3.794 0.154
522 H ASN 57 H ASN 57 -2.105 -3.369 -5.363
523 HA ASN 57 HA ASN 57 -4.532 -1.922 -5.216
524 HB2 ASN 57 2HB ASN 57 -2.639 -2.650 -7.413
525 HB3 ASN 57 1HB ASN 57 -4.228 -2.021 -7.843
526 HD21 ASN 57 1HD2 ASN 57 -1.193 -1.316 -6.269
527 HD22 ASN 57 2HD2 ASN 57 -1.381 0.405 -6.268
528 H GLU 58 H GLU 58 -3.724 -5.111 -6.481
529 HA GLU 58 HA GLU 58 -6.268 -5.684 -7.587
530 HB2 GLU 58 2HB GLU 58 -4.019 -6.903 -7.922
531 HB3 GLU 58 1HB GLU 58 -4.406 -7.748 -6.437
532 HG2 GLU 58 2HG GLU 58 -5.095 -9.136 -8.226
533 HG3 GLU 58 1HG GLU 58 -6.556 -8.462 -7.506
534 H LEU 59 H LEU 59 -4.765 -6.270 -4.459
535 HA LEU 59 HA LEU 59 -6.838 -7.648 -3.192
536 HG LEU 59 HG LEU 59 -6.645 -6.120 -0.390
537 HB2 LEU 59 2HB LEU 59 -4.610 -7.396 -2.221
538 HB3 LEU 59 1HB LEU 59 -4.870 -5.674 -2.030
539 HD11 LEU 59 1HD1 LEU 59 -6.971 -8.375 0.480
540 HD12 LEU 59 2HD1 LEU 59 -5.867 -9.011 -0.739
541 HD13 LEU 59 3HD1 LEU 59 -7.396 -8.281 -1.227
542 HD21 LEU 59 3HD2 LEU 59 -5.196 -6.951 1.405
543 HD22 LEU 59 1HD2 LEU 59 -4.370 -5.774 0.386
544 HD23 LEU 59 2HD2 LEU 59 -4.027 -7.494 0.201
545 H ILE 60 H ILE 60 -6.271 -4.165 -3.526
546 HA ILE 60 HA ILE 60 -8.484 -3.241 -2.083
547 HB ILE 60 HB ILE 60 -7.209 -2.010 -4.539
548 HG12 ILE 60 2HG1 ILE 60 -6.763 -1.449 -1.600
549 HG13 ILE 60 1HG1 ILE 60 -5.676 -2.383 -2.624
550 HG21 ILE 60 1HG2 ILE 60 -9.439 -1.103 -4.138
551 HG22 ILE 60 2HG2 ILE 60 -8.195 0.095 -3.776
552 HG23 ILE 60 3HG2 ILE 60 -9.006 -0.758 -2.462
553 HD11 ILE 60 3HD1 ILE 60 -4.864 -0.122 -2.309
554 HD12 ILE 60 1HD1 ILE 60 -6.367 0.528 -2.964
555 HD13 ILE 60 2HD1 ILE 60 -5.283 -0.404 -3.998
556 H GLU 61 H GLU 61 -8.161 -4.059 -5.519
557 HA GLU 61 HA GLU 61 -10.802 -3.563 -6.314
558 HB2 GLU 61 2HB GLU 61 -8.686 -5.456 -7.326
559 HB3 GLU 61 1HB GLU 61 -10.270 -5.357 -8.080
560 HG2 GLU 61 2HG GLU 61 -8.460 -2.986 -7.729
561 HG3 GLU 61 1HG GLU 61 -8.464 -4.013 -9.164
562 H ALA 62 H ALA 62 -9.313 -6.487 -4.961
563 HA ALA 62 HA ALA 62 -11.602 -8.130 -5.262
564 HB1 ALA 62 3HB ALA 62 -10.466 -9.684 -3.782
565 HB2 ALA 62 1HB ALA 62 -9.329 -8.425 -3.303
566 HB3 ALA 62 2HB ALA 62 -9.334 -9.022 -4.963
567 H GLN 63 H GLN 63 -10.448 -6.104 -2.583
568 HA GLN 63 HA GLN 63 -12.559 -6.860 -0.803
569 HB2 GLN 63 2HB GLN 63 -10.792 -4.406 -0.807
570 HB3 GLN 63 1HB GLN 63 -11.870 -4.864 0.502
571 HG2 GLN 63 2HG GLN 63 -10.582 -6.990 0.707
572 HG3 GLN 63 1HG GLN 63 -9.434 -6.335 -0.456
573 HE21 GLN 63 1HE2 GLN 63 -7.755 -6.363 1.035
574 HE22 GLN 63 2HE2 GLN 63 -7.669 -5.248 2.354
575 H ASN 64 H ASN 64 -12.321 -4.825 -3.482
576 HA ASN 64 HA ASN 64 -14.504 -3.064 -2.751
577 HB2 ASN 64 2HB ASN 64 -12.471 -2.310 -4.011
578 HB3 ASN 64 1HB ASN 64 -12.994 -3.302 -5.362
579 HD21 ASN 64 1HD2 ASN 64 -12.531 -0.435 -5.131
580 HD22 ASN 64 2HD2 ASN 64 -14.004 0.321 -5.639
581 H HIS 65 H HIS 65 -13.813 -5.469 -5.271
582 HA HIS 65 HA HIS 65 -16.563 -5.386 -6.218
583 HD1 HIS 65 HD1 HIS 65 -16.326 -4.110 -8.410
584 HD2 HIS 65 HD2 HIS 65 -12.419 -5.543 -8.440
585 HE1 HIS 65 HE1 HIS 65 -14.992 -2.439 -9.732
586 HE2 HIS 65 HE2 HIS 65 -12.617 -3.281 -9.662
587 HB2 HIS 65 2HB HIS 65 -14.207 -7.044 -7.147
588 HB3 HIS 65 1HB HIS 65 -15.762 -6.939 -7.957
589 H GLN 66 H GLN 66 -14.949 -6.982 -3.823
590 HA GLN 66 HA GLN 66 -15.308 -8.808 -2.545
591 HB2 GLN 66 2HB GLN 66 -17.903 -8.995 -4.085
592 HB3 GLN 66 1HB GLN 66 -17.495 -10.016 -2.714
593 HG2 GLN 66 2HG GLN 66 -17.306 -7.991 -1.315
594 HG3 GLN 66 1HG GLN 66 -17.825 -7.026 -2.694
595 HE21 GLN 66 1HE2 GLN 66 -19.064 -7.390 -0.068
596 HE22 GLN 66 2HE2 GLN 66 -20.663 -7.972 -0.376
597 H THR 67 H THR 67 -15.937 -11.330 -2.869
598 HA THR 67 HA THR 67 -14.079 -12.159 -4.944
599 HB THR 67 HB THR 67 -14.374 -14.426 -3.738
600 HG1 THR 67 HG1 THR 67 -15.764 -14.415 -2.155
601 HG21 THR 67 3HG2 THR 67 -13.174 -12.073 -2.265
602 HG22 THR 67 1HG2 THR 67 -12.377 -13.023 -3.522
603 HG23 THR 67 2HG2 THR 67 -12.795 -13.772 -1.982
604 H LYS 68 H LYS 68 -17.268 -11.641 -4.943
605 HA LYS 68 HA LYS 68 -17.953 -14.087 -6.404
606 HB2 LYS 68 2HB LYS 68 -19.475 -13.460 -4.580
607 HB3 LYS 68 1HB LYS 68 -19.757 -11.901 -5.346
608 HG2 LYS 68 2HG LYS 68 -20.807 -12.974 -7.237
609 HG3 LYS 68 1HG LYS 68 -20.432 -14.567 -6.576
610 HD2 LYS 68 2HD LYS 68 -21.881 -14.133 -4.666
611 HD3 LYS 68 1HD LYS 68 -22.218 -12.511 -5.276
612 HE2 LYS 68 2HE LYS 68 -23.261 -13.449 -7.256
613 HE3 LYS 68 1HE LYS 68 -22.866 -15.079 -6.715
614 HZ1 LYS 68 3HZ LYS 68 -25.189 -14.388 -6.276
615 HZ2 LYS 68 1HZ LYS 68 -24.611 -13.215 -5.204
616 HZ3 LYS 68 2HZ LYS 68 -24.349 -14.857 -4.879
617 H THR 69 H THR 69 -18.041 -14.078 -8.523
618 HA THR 69 HA THR 69 -17.809 -13.395 -10.672
619 HB THR 69 HB THR 69 -19.462 -11.564 -11.367
620 HG1 THR 69 HG1 THR 69 -19.550 -11.004 -8.876
621 HG21 THR 69 3HG2 THR 69 -20.445 -14.040 -9.950
622 HG22 THR 69 1HG2 THR 69 -19.940 -13.921 -11.636
623 HG23 THR 69 2HG2 THR 69 -21.389 -13.078 -11.089
624 H ALA 70 H ALA 70 -15.783 -12.374 -9.102
625 HA ALA 70 HA ALA 70 -15.463 -9.552 -9.646
626 HB1 ALA 70 3HB ALA 70 -13.313 -9.794 -8.512
627 HB2 ALA 70 1HB ALA 70 -13.526 -11.544 -8.469
628 HB3 ALA 70 2HB ALA 70 -14.615 -10.500 -7.558
629 H LEU 71 H LEU 71 -14.026 -12.605 -10.731
630 HA LEU 71 HA LEU 71 -12.943 -11.142 -13.049
631 HG LEU 71 HG LEU 71 -11.118 -11.472 -10.593
632 HB2 LEU 71 2HB LEU 71 -11.807 -13.572 -11.662
633 HB3 LEU 71 1HB LEU 71 -11.238 -12.973 -13.209
634 HD11 LEU 71 1HD1 LEU 71 -9.537 -13.306 -10.658
635 HD12 LEU 71 2HD1 LEU 71 -8.687 -11.769 -10.834
636 HD13 LEU 71 3HD1 LEU 71 -8.969 -12.790 -12.245
637 HD21 LEU 71 3HD2 LEU 71 -11.431 -9.961 -12.474
638 HD22 LEU 71 1HD2 LEU 71 -10.098 -10.734 -13.335
639 HD23 LEU 71 2HD2 LEU 71 -9.787 -9.837 -11.847
640 H GLU 72 H GLU 72 -14.695 -11.440 -14.340
641 HA GLU 72 HA GLU 72 -15.184 -14.208 -15.203
642 HB2 GLU 72 2HB GLU 72 -17.040 -13.161 -13.797
643 HB3 GLU 72 1HB GLU 72 -17.298 -12.046 -15.129
644 HG2 GLU 72 2HG GLU 72 -17.951 -13.804 -16.583
645 HG3 GLU 72 1HG GLU 72 -17.431 -15.032 -15.430
646 H HIS 73 H HIS 73 -13.295 -12.396 -16.191
647 HA HIS 73 HA HIS 73 -12.429 -11.647 -18.137
648 HD1 HIS 73 HD1 HIS 73 -11.288 -13.580 -19.512
649 HD2 HIS 73 HD2 HIS 73 -15.055 -15.309 -19.141
650 HE1 HIS 73 HE1 HIS 73 -10.892 -16.064 -19.411
651 HE2 HIS 73 HE2 HIS 73 -13.172 -17.081 -19.039
652 HB2 HIS 73 2HB HIS 73 -14.989 -12.634 -19.413
653 HB3 HIS 73 1HB HIS 73 -13.563 -12.091 -20.289
654 H HIS 74 H HIS 74 -15.919 -10.922 -18.465
655 HA HIS 74 HA HIS 74 -15.241 -8.190 -19.204
656 HD1 HIS 74 HD1 HIS 74 -17.818 -11.398 -20.687
657 HD2 HIS 74 HD2 HIS 74 -16.064 -7.890 -22.080
658 HE1 HIS 74 HE1 HIS 74 -17.260 -11.828 -23.102
659 HE2 HIS 74 HE2 HIS 74 -16.002 -9.776 -23.854
660 HB2 HIS 74 2HB HIS 74 -17.930 -9.563 -19.024
661 HB3 HIS 74 1HB HIS 74 -17.674 -7.928 -19.618
Start of MODEL 16
1 HA MET 1 HA MET 1 4.334 9.431 7.296
2 H1 MET 1 1H MET 1 3.017 11.388 7.799
3 H2 MET 1 2H MET 1 2.293 10.582 9.104
4 H3 MET 1 3H MET 1 2.032 10.039 7.522
5 HB2 MET 1 2HB MET 1 5.198 11.197 8.807
6 HB3 MET 1 1HB MET 1 4.539 10.323 10.183
7 HG2 MET 1 2HG MET 1 6.008 8.412 9.595
8 HG3 MET 1 1HG MET 1 6.732 9.415 8.341
9 HE1 MET 1 3HE MET 1 8.405 12.274 10.424
10 HE2 MET 1 1HE MET 1 6.803 12.276 9.694
11 HE3 MET 1 2HE MET 1 8.167 11.592 8.812
12 H ARG 2 H ARG 2 4.144 7.288 7.190
13 HA ARG 2 HA ARG 2 3.280 5.815 9.578
14 HE ARG 2 HE ARG 2 -1.009 5.116 10.599
15 HB2 ARG 2 2HB ARG 2 1.667 6.167 7.273
16 HB3 ARG 2 1HB ARG 2 2.251 4.509 7.231
17 HG2 ARG 2 2HG ARG 2 0.122 4.626 8.369
18 HG3 ARG 2 1HG ARG 2 1.390 4.162 9.505
19 HD2 ARG 2 2HD ARG 2 1.537 6.524 10.231
20 HD3 ARG 2 1HD ARG 2 0.187 6.904 9.165
21 HH11 ARG 2 1HH1 ARG 2 1.411 7.369 11.741
22 HH12 ARG 2 2HH1 ARG 2 0.756 7.468 13.349
23 HH21 ARG 2 1HH2 ARG 2 -1.895 5.259 12.720
24 HH22 ARG 2 2HH2 ARG 2 -1.116 6.268 13.905
25 H VAL 3 H VAL 3 4.848 4.408 10.038
26 HA VAL 3 HA VAL 3 6.467 3.381 7.806
27 HB VAL 3 HB VAL 3 7.736 4.773 9.383
28 HG11 VAL 3 1HG1 VAL 3 8.154 4.025 11.670
29 HG12 VAL 3 2HG1 VAL 3 7.018 2.696 11.442
30 HG13 VAL 3 3HG1 VAL 3 6.442 4.361 11.405
31 HG21 VAL 3 3HG2 VAL 3 8.917 3.015 8.216
32 HG22 VAL 3 1HG2 VAL 3 8.466 1.846 9.456
33 HG23 VAL 3 2HG2 VAL 3 9.558 3.174 9.851
34 H PHE 4 H PHE 4 6.690 1.251 7.506
35 HA PHE 4 HA PHE 4 5.584 -0.567 9.539
36 HD1 PHE 4 HD2 PHE 4 3.718 1.358 6.807
37 HD2 PHE 4 HD1 PHE 4 2.978 -2.239 8.954
38 HE1 PHE 4 HE2 PHE 4 1.433 2.123 7.288
39 HE2 PHE 4 HE1 PHE 4 0.690 -1.478 9.444
40 HZ PHE 4 HZ PHE 4 -0.086 0.704 8.611
41 HB2 PHE 4 2HB PHE 4 5.155 -0.630 6.553
42 HB3 PHE 4 1HB PHE 4 4.898 -2.044 7.569
43 HA PRO 5 HA PRO 5 9.825 -2.017 8.913
44 HB2 PRO 5 2HB PRO 5 9.395 -3.407 11.443
45 HB3 PRO 5 1HB PRO 5 10.543 -2.124 11.059
46 HG2 PRO 5 2HG PRO 5 8.416 -1.737 12.690
47 HG3 PRO 5 1HG PRO 5 9.088 -0.454 11.665
48 HD2 PRO 5 2HD PRO 5 6.671 -2.170 11.215
49 HD3 PRO 5 1HD PRO 5 6.884 -0.427 10.934
50 H VAL 6 H VAL 6 6.861 -3.582 8.996
51 HA VAL 6 HA VAL 6 8.110 -6.111 8.181
52 HB VAL 6 HB VAL 6 7.130 -6.329 10.456
53 HG11 VAL 6 1HG1 VAL 6 5.318 -4.723 10.269
54 HG12 VAL 6 2HG1 VAL 6 4.702 -6.305 10.745
55 HG13 VAL 6 3HG1 VAL 6 4.510 -5.749 9.083
56 HG21 VAL 6 3HG2 VAL 6 7.291 -8.285 9.043
57 HG22 VAL 6 1HG2 VAL 6 5.734 -7.908 8.304
58 HG23 VAL 6 2HG2 VAL 6 5.817 -8.353 10.006
59 H TYR 7 H TYR 7 7.097 -7.198 6.487
60 HA TYR 7 HA TYR 7 5.314 -5.566 4.881
61 HD1 TYR 7 HD1 TYR 7 5.709 -5.273 2.214
62 HD2 TYR 7 HD2 TYR 7 5.184 -9.435 2.923
63 HE1 TYR 7 HE1 TYR 7 4.422 -5.465 0.126
64 HE2 TYR 7 HE2 TYR 7 3.895 -9.635 0.839
65 HH TYR 7 HH TYR 7 3.788 -7.146 -1.498
66 HB2 TYR 7 2HB TYR 7 7.222 -6.648 3.789
67 HB3 TYR 7 1HB TYR 7 6.635 -8.226 4.296
68 H ALA 8 H ALA 8 3.295 -5.640 5.688
69 HA ALA 8 HA ALA 8 1.993 -8.277 5.755
70 HB1 ALA 8 3HB ALA 8 0.657 -7.614 7.647
71 HB2 ALA 8 1HB ALA 8 1.383 -6.004 7.645
72 HB3 ALA 8 2HB ALA 8 2.365 -7.413 8.051
73 HA PRO 9 HA PRO 9 0.130 -5.954 2.324
74 HB2 PRO 9 2HB PRO 9 -1.390 -8.521 2.286
75 HB3 PRO 9 1HB PRO 9 -0.657 -7.628 0.950
76 HG2 PRO 9 2HG PRO 9 0.526 -9.798 1.916
77 HG3 PRO 9 1HG PRO 9 1.487 -8.380 1.453
78 HD2 PRO 9 2HD PRO 9 0.744 -9.363 4.169
79 HD3 PRO 9 1HD PRO 9 2.232 -8.561 3.626
80 H LYS 10 H LYS 10 -2.074 -8.103 4.148
81 HA LYS 10 HA LYS 10 -4.361 -6.589 3.604
82 HB2 LYS 10 2HB LYS 10 -3.859 -8.507 5.884
83 HB3 LYS 10 1HB LYS 10 -5.440 -7.906 5.399
84 HG2 LYS 10 2HG LYS 10 -5.165 -8.948 3.208
85 HG3 LYS 10 1HG LYS 10 -3.585 -9.559 3.697
86 HD2 LYS 10 2HD LYS 10 -4.665 -10.833 5.505
87 HD3 LYS 10 1HD LYS 10 -6.238 -10.252 4.957
88 HE2 LYS 10 2HE LYS 10 -4.303 -11.959 3.391
89 HE3 LYS 10 1HE LYS 10 -5.821 -12.491 4.111
90 HZ1 LYS 10 3HZ LYS 10 -6.934 -10.815 2.642
91 HZ2 LYS 10 1HZ LYS 10 -6.225 -12.124 1.827
92 HZ3 LYS 10 2HZ LYS 10 -5.450 -10.618 1.841
93 H LEU 11 H LEU 11 -2.140 -6.433 6.355
94 HA LEU 11 HA LEU 11 -3.698 -4.653 7.905
95 HG LEU 11 HG LEU 11 -1.910 -7.059 8.713
96 HB2 LEU 11 2HB LEU 11 -0.720 -5.117 7.841
97 HB3 LEU 11 1HB LEU 11 -1.517 -4.079 9.006
98 HD11 LEU 11 1HD1 LEU 11 -0.894 -7.136 10.943
99 HD12 LEU 11 2HD1 LEU 11 -0.621 -5.396 10.871
100 HD13 LEU 11 3HD1 LEU 11 0.209 -6.467 9.743
101 HD21 LEU 11 3HD2 LEU 11 -3.168 -5.095 10.626
102 HD22 LEU 11 1HD2 LEU 11 -3.300 -6.851 10.732
103 HD23 LEU 11 2HD2 LEU 11 -3.995 -5.996 9.355
104 H ILE 12 H ILE 12 -0.994 -4.091 5.681
105 HA ILE 12 HA ILE 12 -0.937 -1.299 5.887
106 HB ILE 12 HB ILE 12 -0.123 -3.104 3.606
107 HG12 ILE 12 2HG1 ILE 12 1.510 -1.695 5.732
108 HG13 ILE 12 1HG1 ILE 12 1.096 -3.407 5.737
109 HG21 ILE 12 1HG2 ILE 12 -0.573 -0.875 2.745
110 HG22 ILE 12 2HG2 ILE 12 1.157 -1.211 2.735
111 HG23 ILE 12 3HG2 ILE 12 0.470 -0.169 3.980
112 HD11 ILE 12 3HD1 ILE 12 3.360 -3.080 4.973
113 HD12 ILE 12 1HD1 ILE 12 2.801 -2.001 3.695
114 HD13 ILE 12 2HD1 ILE 12 2.357 -3.708 3.666
115 H VAL 13 H VAL 13 -2.611 -3.401 3.555
116 HA VAL 13 HA VAL 13 -3.686 -1.311 1.997
117 HB VAL 13 HB VAL 13 -4.445 -4.206 2.302
118 HG11 VAL 13 1HG1 VAL 13 -5.934 -3.948 0.375
119 HG12 VAL 13 2HG1 VAL 13 -5.671 -2.205 0.408
120 HG13 VAL 13 3HG1 VAL 13 -6.491 -2.997 1.751
121 HG21 VAL 13 3HG2 VAL 13 -3.170 -2.616 0.079
122 HG22 VAL 13 1HG2 VAL 13 -3.523 -4.343 0.030
123 HG23 VAL 13 2HG2 VAL 13 -2.343 -3.717 1.182
124 H LYS 14 H LYS 14 -5.046 -3.109 4.750
125 HA LYS 14 HA LYS 14 -7.624 -1.953 4.567
126 HB2 LYS 14 2HB LYS 14 -7.029 -4.032 5.852
127 HB3 LYS 14 1HB LYS 14 -6.306 -2.994 7.074
128 HG2 LYS 14 2HG LYS 14 -8.463 -1.931 7.470
129 HG3 LYS 14 1HG LYS 14 -9.195 -2.943 6.224
130 HD2 LYS 14 2HD LYS 14 -7.923 -3.910 8.785
131 HD3 LYS 14 1HD LYS 14 -9.653 -3.825 8.451
132 HE2 LYS 14 2HE LYS 14 -9.380 -5.435 6.629
133 HE3 LYS 14 1HE LYS 14 -7.649 -5.519 6.960
134 HZ1 LYS 14 3HZ LYS 14 -8.219 -6.308 9.218
135 HZ2 LYS 14 1HZ LYS 14 -8.721 -7.367 7.991
136 HZ3 LYS 14 2HZ LYS 14 -9.851 -6.366 8.764
137 H HIS 15 H HIS 15 -4.657 -0.980 6.186
138 HA HIS 15 HA HIS 15 -5.857 1.265 7.505
139 HD1 HIS 15 HD1 HIS 15 -2.622 1.614 10.104
140 HD2 HIS 15 HD2 HIS 15 -5.174 -1.383 8.758
141 HE1 HIS 15 HE1 HIS 15 -3.159 0.216 12.124
142 HE2 HIS 15 HE2 HIS 15 -4.874 -1.452 11.320
143 HB2 HIS 15 2HB HIS 15 -3.015 0.392 7.038
144 HB3 HIS 15 1HB HIS 15 -3.379 1.967 7.728
145 H ALA 16 H ALA 16 -4.317 0.651 4.434
146 HA ALA 16 HA ALA 16 -3.895 3.316 3.636
147 HB1 ALA 16 3HB ALA 16 -3.726 2.431 1.372
148 HB2 ALA 16 1HB ALA 16 -4.418 0.900 1.910
149 HB3 ALA 16 2HB ALA 16 -2.843 1.416 2.513
150 H ARG 17 H ARG 17 -6.752 1.271 3.589
151 HA ARG 17 HA ARG 17 -8.231 2.981 1.847
152 HE ARG 17 HE ARG 17 -10.410 1.975 -0.967
153 HB2 ARG 17 2HB ARG 17 -8.673 0.481 3.134
154 HB3 ARG 17 1HB ARG 17 -10.003 1.550 3.563
155 HG2 ARG 17 2HG ARG 17 -9.080 1.007 0.746
156 HG3 ARG 17 1HG ARG 17 -10.443 0.215 1.540
157 HD2 ARG 17 2HD ARG 17 -11.671 2.218 1.668
158 HD3 ARG 17 1HD ARG 17 -10.256 3.201 1.296
159 HH11 ARG 17 1HH1 ARG 17 -13.180 2.774 1.018
160 HH12 ARG 17 2HH1 ARG 17 -14.211 3.130 -0.340
161 HH21 ARG 17 1HH2 ARG 17 -11.775 2.394 -2.755
162 HH22 ARG 17 2HH2 ARG 17 -13.414 2.894 -2.484
163 H ILE 18 H ILE 18 -7.219 3.300 5.030
164 HA ILE 18 HA ILE 18 -9.302 5.272 5.658
165 HB ILE 18 HB ILE 18 -7.082 4.191 7.410
166 HG12 ILE 18 2HG1 ILE 18 -10.043 3.562 7.470
167 HG13 ILE 18 1HG1 ILE 18 -8.821 2.517 6.753
168 HG21 ILE 18 1HG2 ILE 18 -9.456 5.924 8.089
169 HG22 ILE 18 2HG2 ILE 18 -7.767 6.430 8.067
170 HG23 ILE 18 3HG2 ILE 18 -8.318 5.243 9.253
171 HD11 ILE 18 3HD1 ILE 18 -9.398 1.719 8.946
172 HD12 ILE 18 1HD1 ILE 18 -9.039 3.296 9.652
173 HD13 ILE 18 2HD1 ILE 18 -7.741 2.321 8.958
174 H PHE 19 H PHE 19 -5.788 4.901 5.525
175 HA PHE 19 HA PHE 19 -5.379 7.774 5.835
176 HD1 PHE 19 HD1 PHE 19 -4.280 8.218 8.147
177 HD2 PHE 19 HD2 PHE 19 -3.900 4.035 7.483
178 HE1 PHE 19 HE1 PHE 19 -4.757 7.797 10.523
179 HE2 PHE 19 HE2 PHE 19 -4.379 3.604 9.855
180 HZ PHE 19 HZ PHE 19 -4.809 5.489 11.380
181 HB2 PHE 19 2HB PHE 19 -3.382 5.500 5.780
182 HB3 PHE 19 1HB PHE 19 -3.010 7.181 6.149
183 H LEU 20 H LEU 20 -6.247 6.188 3.349
184 HA LEU 20 HA LEU 20 -4.688 5.678 1.358
185 HG LEU 20 HG LEU 20 -7.675 7.284 2.524
186 HB2 LEU 20 2HB LEU 20 -6.411 6.842 -0.171
187 HB3 LEU 20 1HB LEU 20 -6.886 5.506 0.856
188 HD11 LEU 20 1HD1 LEU 20 -8.266 9.442 1.601
189 HD12 LEU 20 2HD1 LEU 20 -7.531 9.005 0.060
190 HD13 LEU 20 3HD1 LEU 20 -6.522 9.185 1.496
191 HD21 LEU 20 3HD2 LEU 20 -9.816 7.531 1.376
192 HD22 LEU 20 1HD2 LEU 20 -9.189 5.889 1.228
193 HD23 LEU 20 2HD2 LEU 20 -9.068 7.006 -0.133
194 H THR 21 H THR 21 -4.865 9.064 2.363
195 HA THR 21 HA THR 21 -2.914 9.569 0.220
196 HB THR 21 HB THR 21 -4.856 10.934 -0.197
197 HG1 THR 21 HG1 THR 21 -3.813 12.864 -0.376
198 HG21 THR 21 3HG2 THR 21 -5.665 12.611 1.397
199 HG22 THR 21 1HG2 THR 21 -4.524 12.016 2.603
200 HG23 THR 21 2HG2 THR 21 -5.833 10.977 2.039
201 H GLY 22 H GLY 22 -0.965 9.388 1.063
202 HA2 GLY 22 2HA GLY 22 0.068 11.245 2.884
203 HA3 GLY 22 1HA GLY 22 -0.319 9.785 3.781
204 H VAL 23 H VAL 23 1.913 9.601 4.247
205 HA VAL 23 HA VAL 23 3.515 8.531 2.010
206 HB VAL 23 HB VAL 23 4.480 10.117 4.403
207 HG11 VAL 23 1HG1 VAL 23 6.097 8.887 2.173
208 HG12 VAL 23 2HG1 VAL 23 6.037 8.311 3.840
209 HG13 VAL 23 3HG1 VAL 23 6.720 9.897 3.479
210 HG21 VAL 23 3HG2 VAL 23 3.491 11.510 2.666
211 HG22 VAL 23 1HG2 VAL 23 4.536 10.763 1.457
212 HG23 VAL 23 2HG2 VAL 23 5.236 11.747 2.740
213 H ILE 24 H ILE 24 4.091 6.452 2.267
214 HA ILE 24 HA ILE 24 4.132 5.374 5.012
215 HB ILE 24 HB ILE 24 2.253 4.478 3.644
216 HG12 ILE 24 2HG1 ILE 24 4.394 2.459 4.340
217 HG13 ILE 24 1HG1 ILE 24 3.214 3.134 5.458
218 HG21 ILE 24 1HG2 ILE 24 3.267 4.550 1.445
219 HG22 ILE 24 2HG2 ILE 24 2.740 2.910 1.820
220 HG23 ILE 24 3HG2 ILE 24 4.448 3.333 1.927
221 HD11 ILE 24 3HD1 ILE 24 2.570 1.435 3.058
222 HD12 ILE 24 1HD1 ILE 24 1.414 2.074 4.227
223 HD13 ILE 24 2HD1 ILE 24 2.613 0.884 4.733
224 H TRP 25 H TRP 25 5.836 4.025 5.561
225 HA TRP 25 HA TRP 25 7.906 3.651 3.501
226 HD1 TRP 25 HD1 TRP 25 10.305 2.087 5.108
227 HE1 TRP 25 HE1 TRP 25 12.710 2.553 4.326
228 HE3 TRP 25 HE3 TRP 25 10.014 7.159 4.652
229 HZ2 TRP 25 HZ2 TRP 25 14.278 4.797 3.605
230 HZ3 TRP 25 HZ3 TRP 25 12.005 8.396 3.908
231 HH2 TRP 25 HH2 TRP 25 14.095 7.241 3.396
232 HB2 TRP 25 2HB TRP 25 8.405 5.483 5.233
233 HB3 TRP 25 1HB TRP 25 8.549 4.174 6.403
234 H VAL 26 H VAL 26 7.804 1.547 3.096
235 HA VAL 26 HA VAL 26 7.557 -0.340 5.345
236 HB VAL 26 HB VAL 26 7.444 -1.060 2.418
237 HG11 VAL 26 1HG1 VAL 26 7.772 -2.916 3.935
238 HG12 VAL 26 2HG1 VAL 26 6.154 -2.985 3.232
239 HG13 VAL 26 3HG1 VAL 26 6.373 -2.413 4.886
240 HG21 VAL 26 3HG2 VAL 26 4.990 -0.955 2.561
241 HG22 VAL 26 1HG2 VAL 26 5.740 0.629 2.763
242 HG23 VAL 26 2HG2 VAL 26 5.129 -0.243 4.169
243 H LYS 27 H LYS 27 9.050 -2.156 5.402
244 HA LYS 27 HA LYS 27 11.723 -1.304 4.917
245 HB2 LYS 27 2HB LYS 27 11.118 -2.707 6.846
246 HB3 LYS 27 1HB LYS 27 10.702 -4.023 5.756
247 HG2 LYS 27 2HG LYS 27 13.002 -4.185 5.019
248 HG3 LYS 27 1HG LYS 27 13.443 -2.809 6.032
249 HD2 LYS 27 2HD LYS 27 12.299 -5.401 7.065
250 HD3 LYS 27 1HD LYS 27 14.020 -5.019 7.027
251 HE2 LYS 27 2HE LYS 27 13.551 -3.040 8.460
252 HE3 LYS 27 1HE LYS 27 11.869 -3.562 8.564
253 HZ1 LYS 27 3HZ LYS 27 13.217 -4.252 10.481
254 HZ2 LYS 27 1HZ LYS 27 14.194 -5.182 9.453
255 HZ3 LYS 27 2HZ LYS 27 12.555 -5.578 9.649
256 H ASP 28 H ASP 28 9.572 -3.607 3.350
257 HA ASP 28 HA ASP 28 11.641 -4.604 1.613
258 HB2 ASP 28 2HB ASP 28 9.822 -6.066 2.391
259 HB3 ASP 28 1HB ASP 28 8.651 -5.062 1.546
260 H LEU 29 H LEU 29 8.940 -2.360 1.331
261 HA LEU 29 HA LEU 29 9.457 -2.067 -1.536
262 HG LEU 29 HG LEU 29 7.035 -3.486 -0.111
263 HB2 LEU 29 2HB LEU 29 7.164 -1.050 0.142
264 HB3 LEU 29 1HB LEU 29 7.308 -0.873 -1.596
265 HD11 LEU 29 1HD1 LEU 29 4.840 -3.591 -1.194
266 HD12 LEU 29 2HD1 LEU 29 5.099 -1.978 -1.863
267 HD13 LEU 29 3HD1 LEU 29 4.973 -2.198 -0.117
268 HD21 LEU 29 3HD2 LEU 29 8.407 -3.716 -2.108
269 HD22 LEU 29 1HD2 LEU 29 7.168 -2.909 -3.066
270 HD23 LEU 29 2HD2 LEU 29 6.835 -4.480 -2.337
271 H GLY 30 H GLY 30 10.110 -0.493 1.396
272 HA2 GLY 30 2HA GLY 30 11.340 1.443 1.741
273 HA3 GLY 30 1HA GLY 30 11.286 1.746 0.010
274 H ARG 31 H ARG 31 10.793 3.922 0.302
275 HA ARG 31 HA ARG 31 8.401 4.677 1.755
276 HE ARG 31 HE ARG 31 7.716 9.654 0.650
277 HB2 ARG 31 2HB ARG 31 10.280 6.184 1.868
278 HB3 ARG 31 1HB ARG 31 10.385 6.263 0.114
279 HG2 ARG 31 2HG ARG 31 8.135 7.324 0.091
280 HG3 ARG 31 1HG ARG 31 8.195 7.370 1.854
281 HD2 ARG 31 2HD ARG 31 10.135 8.792 1.802
282 HD3 ARG 31 1HD ARG 31 10.246 8.643 0.048
283 HH11 ARG 31 1HH1 ARG 31 11.088 10.643 0.802
284 HH12 ARG 31 2HH1 ARG 31 10.714 12.339 0.712
285 HH21 ARG 31 1HH2 ARG 31 7.252 11.876 0.537
286 HH22 ARG 31 2HH2 ARG 31 8.540 13.039 0.576
287 H LEU 32 H LEU 32 6.440 5.134 0.892
288 HA LEU 32 HA LEU 32 6.196 5.237 -2.037
289 HG LEU 32 HG LEU 32 6.626 2.458 -0.820
290 HB2 LEU 32 2HB LEU 32 4.467 3.582 -0.189
291 HB3 LEU 32 1HB LEU 32 4.163 3.832 -1.896
292 HD11 LEU 32 1HD1 LEU 32 4.074 1.271 -1.905
293 HD12 LEU 32 2HD1 LEU 32 4.628 1.192 -0.231
294 HD13 LEU 32 3HD1 LEU 32 5.539 0.375 -1.503
295 HD21 LEU 32 3HD2 LEU 32 6.857 1.677 -3.124
296 HD22 LEU 32 1HD2 LEU 32 6.883 3.438 -3.044
297 HD23 LEU 32 2HD2 LEU 32 5.428 2.600 -3.586
298 H GLU 33 H GLU 33 5.153 7.050 -2.579
299 HA GLU 33 HA GLU 33 3.409 8.363 -0.680
300 HB2 GLU 33 2HB GLU 33 4.461 9.067 -3.384
301 HB3 GLU 33 1HB GLU 33 2.987 9.838 -2.826
302 HG2 GLU 33 2HG GLU 33 4.859 11.249 -2.346
303 HG3 GLU 33 1HG GLU 33 4.191 10.639 -0.834
304 H PHE 34 H PHE 34 1.581 7.301 -0.387
305 HA PHE 34 HA PHE 34 0.113 6.385 -2.741
306 HD1 PHE 34 HD1 PHE 34 1.735 5.999 0.812
307 HD2 PHE 34 HD2 PHE 34 -2.459 5.285 0.756
308 HE1 PHE 34 HE1 PHE 34 1.655 6.317 3.246
309 HE2 PHE 34 HE2 PHE 34 -2.542 5.603 3.196
310 HZ PHE 34 HZ PHE 34 -0.478 6.121 4.438
311 HB2 PHE 34 2HB PHE 34 -1.275 5.067 -1.183
312 HB3 PHE 34 1HB PHE 34 0.421 4.635 -1.075
313 H GLU 35 H GLU 35 -1.605 7.464 -3.398
314 HA GLU 35 HA GLU 35 -2.647 9.550 -1.613
315 HB2 GLU 35 2HB GLU 35 -0.940 10.392 -3.260
316 HB3 GLU 35 1HB GLU 35 -2.046 9.941 -4.546
317 HG2 GLU 35 2HG GLU 35 -3.668 11.528 -3.792
318 HG3 GLU 35 1HG GLU 35 -2.718 11.874 -2.346
319 H LYS 36 H LYS 36 -4.705 9.241 -1.308
320 HA LYS 36 HA LYS 36 -6.902 8.827 -1.609
321 HB2 LYS 36 2HB LYS 36 -6.144 9.369 -4.476
322 HB3 LYS 36 1HB LYS 36 -7.801 9.083 -3.958
323 HG2 LYS 36 2HG LYS 36 -7.840 11.040 -2.642
324 HG3 LYS 36 1HG LYS 36 -6.090 11.241 -2.758
325 HD2 LYS 36 2HD LYS 36 -7.969 11.386 -5.109
326 HD3 LYS 36 1HD LYS 36 -7.416 12.795 -4.201
327 HE2 LYS 36 2HE LYS 36 -5.105 12.260 -4.765
328 HE3 LYS 36 1HE LYS 36 -5.640 10.830 -5.647
329 HZ1 LYS 36 3HZ LYS 36 -6.816 12.240 -7.191
330 HZ2 LYS 36 1HZ LYS 36 -5.186 12.711 -7.113
331 HZ3 LYS 36 2HZ LYS 36 -6.373 13.630 -6.323
332 H GLY 37 H GLY 37 -4.985 6.650 -1.560
333 HA2 GLY 37 2HA GLY 37 -5.529 4.368 -1.364
334 HA3 GLY 37 1HA GLY 37 -6.823 4.594 -2.529
335 H ARG 38 H ARG 38 -4.320 6.119 -3.915
336 HA ARG 38 HA ARG 38 -3.566 3.690 -5.400
337 HE ARG 38 HE ARG 38 -5.569 5.053 -8.635
338 HB2 ARG 38 2HB ARG 38 -4.612 5.817 -6.525
339 HB3 ARG 38 1HB ARG 38 -2.995 6.484 -6.355
340 HG2 ARG 38 2HG ARG 38 -3.169 5.574 -8.541
341 HG3 ARG 38 1HG ARG 38 -2.133 4.494 -7.604
342 HD2 ARG 38 2HD ARG 38 -3.713 3.207 -8.936
343 HD3 ARG 38 1HD ARG 38 -4.050 3.006 -7.216
344 HH11 ARG 38 1HH1 ARG 38 -5.503 1.787 -7.334
345 HH12 ARG 38 2HH1 ARG 38 -7.233 1.635 -7.310
346 HH21 ARG 38 1HH2 ARG 38 -7.835 4.840 -8.588
347 HH22 ARG 38 2HH2 ARG 38 -8.548 3.365 -8.000
348 H PHE 39 H PHE 39 -1.741 2.887 -5.165
349 HA PHE 39 HA PHE 39 0.285 4.141 -3.536
350 HD1 PHE 39 HD1 PHE 39 2.011 2.151 -1.876
351 HD2 PHE 39 HD2 PHE 39 -2.081 1.400 -2.774
352 HE1 PHE 39 HE1 PHE 39 1.564 1.743 0.510
353 HE2 PHE 39 HE2 PHE 39 -2.532 0.990 -0.391
354 HZ PHE 39 HZ PHE 39 -0.710 1.162 1.254
355 HB2 PHE 39 2HB PHE 39 -0.437 1.448 -4.512
356 HB3 PHE 39 1HB PHE 39 1.276 1.715 -4.163
357 H LEU 40 H LEU 40 -0.383 4.740 -6.506
358 HA LEU 40 HA LEU 40 0.667 5.306 -8.426
359 HG LEU 40 HG LEU 40 1.519 6.845 -5.934
360 HB2 LEU 40 2HB LEU 40 3.157 5.133 -6.718
361 HB3 LEU 40 1HB LEU 40 3.077 5.848 -8.319
362 HD11 LEU 40 1HD1 LEU 40 4.038 7.949 -7.163
363 HD12 LEU 40 2HD1 LEU 40 3.906 7.165 -5.589
364 HD13 LEU 40 3HD1 LEU 40 3.089 8.700 -5.878
365 HD21 LEU 40 3HD2 LEU 40 1.121 8.806 -7.340
366 HD22 LEU 40 1HD2 LEU 40 0.461 7.339 -8.061
367 HD23 LEU 40 2HD2 LEU 40 1.968 8.020 -8.672
368 H LEU 41 H LEU 41 2.908 4.472 -9.735
369 HA LEU 41 HA LEU 41 3.251 1.637 -9.493
370 HG LEU 41 HG LEU 41 0.624 3.630 -10.920
371 HB2 LEU 41 2HB LEU 41 2.346 1.368 -11.946
372 HB3 LEU 41 1HB LEU 41 1.282 1.240 -10.559
373 HD11 LEU 41 1HD1 LEU 41 2.126 3.306 -13.512
374 HD12 LEU 41 2HD1 LEU 41 2.574 4.372 -12.179
375 HD13 LEU 41 3HD1 LEU 41 1.084 4.661 -13.077
376 HD21 LEU 41 3HD2 LEU 41 -0.790 1.823 -11.678
377 HD22 LEU 41 1HD2 LEU 41 0.123 1.702 -13.181
378 HD23 LEU 41 2HD2 LEU 41 -0.828 3.147 -12.842
379 HA PRO 42 HA PRO 42 6.319 4.206 -12.015
380 HB2 PRO 42 2HB PRO 42 8.295 4.598 -10.254
381 HB3 PRO 42 1HB PRO 42 6.855 5.623 -10.268
382 HG2 PRO 42 2HG PRO 42 7.532 3.335 -8.466
383 HG3 PRO 42 1HG PRO 42 6.803 4.899 -8.063
384 HD2 PRO 42 2HD PRO 42 5.383 2.570 -8.395
385 HD3 PRO 42 1HD PRO 42 4.704 4.194 -8.617
386 H ARG 43 H ARG 43 8.747 3.760 -12.347
387 HA ARG 43 HA ARG 43 9.345 0.916 -11.897
388 HE ARG 43 HE ARG 43 10.995 -1.886 -15.434
389 HB2 ARG 43 2HB ARG 43 8.697 1.704 -14.318
390 HB3 ARG 43 1HB ARG 43 10.323 2.371 -14.338
391 HG2 ARG 43 2HG ARG 43 11.265 0.174 -13.932
392 HG3 ARG 43 1HG ARG 43 9.645 -0.517 -13.824
393 HD2 ARG 43 2HD ARG 43 9.234 0.208 -16.157
394 HD3 ARG 43 1HD ARG 43 10.905 0.766 -16.243
395 HH11 ARG 43 1HH1 ARG 43 9.936 -0.063 -18.238
396 HH12 ARG 43 2HH1 ARG 43 10.213 -1.378 -19.346
397 HH21 ARG 43 1HH2 ARG 43 11.352 -3.605 -16.894
398 HH22 ARG 43 2HH2 ARG 43 11.015 -3.389 -18.584
399 H LYS 44 H LYS 44 11.975 1.552 -13.367
400 HA LYS 44 HA LYS 44 14.108 2.123 -12.821
401 HB2 LYS 44 2HB LYS 44 12.816 4.284 -11.142
402 HB3 LYS 44 1HB LYS 44 14.493 4.238 -11.666
403 HG2 LYS 44 2HG LYS 44 13.820 4.471 -13.966
404 HG3 LYS 44 1HG LYS 44 12.121 4.399 -13.498
405 HD2 LYS 44 2HD LYS 44 12.340 6.461 -12.257
406 HD3 LYS 44 1HD LYS 44 14.072 6.515 -12.595
407 HE2 LYS 44 2HE LYS 44 13.593 6.701 -14.987
408 HE3 LYS 44 1HE LYS 44 11.864 6.654 -14.644
409 HZ1 LYS 44 3HZ LYS 44 12.821 8.914 -14.994
410 HZ2 LYS 44 1HZ LYS 44 13.686 8.724 -13.548
411 HZ3 LYS 44 2HZ LYS 44 11.990 8.727 -13.530
412 H SER 45 H SER 45 12.566 0.248 -11.191
413 HA SER 45 HA SER 45 14.242 0.200 -8.830
414 HG SER 45 HG SER 45 12.101 0.715 -6.311
415 HB2 SER 45 2HB SER 45 12.196 1.572 -8.278
416 HB3 SER 45 1HB SER 45 11.221 0.139 -8.595
417 H LEU 46 H LEU 46 12.922 -1.816 -7.469
418 HA LEU 46 HA LEU 46 13.635 -4.070 -9.112
419 HG LEU 46 HG LEU 46 15.335 -4.397 -7.345
420 HB2 LEU 46 2HB LEU 46 12.558 -3.894 -6.294
421 HB3 LEU 46 1HB LEU 46 12.989 -5.399 -7.079
422 HD11 LEU 46 1HD1 LEU 46 14.272 -2.539 -5.221
423 HD12 LEU 46 2HD1 LEU 46 14.777 -2.079 -6.847
424 HD13 LEU 46 3HD1 LEU 46 15.961 -2.706 -5.700
425 HD21 LEU 46 3HD2 LEU 46 14.811 -6.204 -5.815
426 HD22 LEU 46 1HD2 LEU 46 14.264 -5.045 -4.605
427 HD23 LEU 46 2HD2 LEU 46 15.961 -5.085 -5.085
428 HA PRO 47 HA PRO 47 9.669 -5.011 -10.874
429 HB2 PRO 47 2HB PRO 47 10.582 -7.817 -10.448
430 HB3 PRO 47 1HB PRO 47 9.968 -7.044 -11.914
431 HG2 PRO 47 2HG PRO 47 12.568 -7.538 -11.633
432 HG3 PRO 47 1HG PRO 47 12.002 -6.041 -12.397
433 HD2 PRO 47 2HD PRO 47 13.113 -6.471 -9.659
434 HD3 PRO 47 1HD PRO 47 13.313 -5.088 -10.757
435 H LYS 48 H LYS 48 10.836 -6.790 -8.040
436 HA LYS 48 HA LYS 48 8.440 -7.940 -7.198
437 HB2 LYS 48 2HB LYS 48 10.600 -8.531 -6.229
438 HB3 LYS 48 1HB LYS 48 10.755 -6.923 -5.538
439 HG2 LYS 48 2HG LYS 48 8.707 -7.386 -4.186
440 HG3 LYS 48 1HG LYS 48 8.760 -9.047 -4.781
441 HD2 LYS 48 2HD LYS 48 9.798 -8.821 -2.569
442 HD3 LYS 48 1HD LYS 48 10.956 -9.355 -3.790
443 HE2 LYS 48 2HE LYS 48 11.838 -7.107 -3.980
444 HE3 LYS 48 1HE LYS 48 10.623 -6.506 -2.852
445 HZ1 LYS 48 3HZ LYS 48 12.860 -6.891 -1.873
446 HZ2 LYS 48 1HZ LYS 48 12.654 -8.551 -2.141
447 HZ3 LYS 48 2HZ LYS 48 11.609 -7.722 -1.087
448 H VAL 49 H VAL 49 9.684 -4.685 -6.719
449 HA VAL 49 HA VAL 49 7.861 -3.858 -4.734
450 HB VAL 49 HB VAL 49 9.233 -2.164 -6.835
451 HG11 VAL 49 1HG1 VAL 49 7.988 -1.377 -4.200
452 HG12 VAL 49 2HG1 VAL 49 7.335 -1.017 -5.799
453 HG13 VAL 49 3HG1 VAL 49 8.865 -0.304 -5.290
454 HG21 VAL 49 3HG2 VAL 49 10.894 -1.719 -5.093
455 HG22 VAL 49 1HG2 VAL 49 10.817 -3.436 -5.489
456 HG23 VAL 49 2HG2 VAL 49 10.059 -2.836 -4.013
457 H LYS 50 H LYS 50 7.790 -3.581 -8.273
458 HA LYS 50 HA LYS 50 5.273 -2.265 -8.352
459 HB2 LYS 50 2HB LYS 50 6.968 -2.176 -10.185
460 HB3 LYS 50 1HB LYS 50 6.609 -3.856 -10.550
461 HG2 LYS 50 2HG LYS 50 4.358 -3.294 -11.182
462 HG3 LYS 50 1HG LYS 50 4.595 -1.620 -10.670
463 HD2 LYS 50 2HD LYS 50 6.302 -1.329 -12.389
464 HD3 LYS 50 1HD LYS 50 6.106 -3.009 -12.883
465 HE2 LYS 50 2HE LYS 50 4.922 -1.513 -14.394
466 HE3 LYS 50 1HE LYS 50 3.794 -2.553 -13.529
467 HZ1 LYS 50 3HZ LYS 50 3.127 -0.781 -12.154
468 HZ2 LYS 50 1HZ LYS 50 3.155 -0.143 -13.725
469 HZ3 LYS 50 2HZ LYS 50 4.413 0.210 -12.642
470 H GLN 51 H GLN 51 6.277 -5.655 -8.572
471 HA GLN 51 HA GLN 51 3.776 -6.771 -9.181
472 HB2 GLN 51 2HB GLN 51 6.093 -7.886 -7.597
473 HB3 GLN 51 1HB GLN 51 4.697 -8.831 -8.084
474 HG2 GLN 51 2HG GLN 51 5.228 -8.392 -10.434
475 HG3 GLN 51 1HG GLN 51 6.643 -7.469 -9.926
476 HE21 GLN 51 1HE2 GLN 51 6.456 -9.884 -11.562
477 HE22 GLN 51 2HE2 GLN 51 7.428 -11.074 -10.763
478 H ALA 52 H ALA 52 5.253 -5.846 -6.115
479 HA ALA 52 HA ALA 52 3.214 -6.843 -4.429
480 HB1 ALA 52 3HB ALA 52 5.059 -4.508 -3.923
481 HB2 ALA 52 1HB ALA 52 5.460 -6.201 -3.632
482 HB3 ALA 52 2HB ALA 52 4.166 -5.432 -2.713
483 H ILE 53 H ILE 53 3.698 -3.748 -6.060
484 HA ILE 53 HA ILE 53 1.528 -2.343 -5.002
485 HB ILE 53 HB ILE 53 2.713 -2.183 -7.781
486 HG12 ILE 53 2HG1 ILE 53 3.184 -0.485 -5.319
487 HG13 ILE 53 1HG1 ILE 53 4.287 -1.719 -5.919
488 HG21 ILE 53 1HG2 ILE 53 0.460 -1.236 -7.720
489 HG22 ILE 53 2HG2 ILE 53 1.677 0.023 -7.919
490 HG23 ILE 53 3HG2 ILE 53 0.917 -0.227 -6.349
491 HD11 ILE 53 3HD1 ILE 53 4.574 -0.435 -7.985
492 HD12 ILE 53 1HD1 ILE 53 5.035 0.491 -6.556
493 HD13 ILE 53 2HD1 ILE 53 3.494 0.808 -7.353
494 H LEU 54 H LEU 54 1.702 -4.493 -7.830
495 HA LEU 54 HA LEU 54 -0.984 -4.334 -8.595
496 HG LEU 54 HG LEU 54 -0.671 -4.982 -10.919
497 HB2 LEU 54 2HB LEU 54 1.169 -6.353 -8.958
498 HB3 LEU 54 1HB LEU 54 -0.476 -6.856 -9.283
499 HD11 LEU 54 1HD1 LEU 54 2.291 -4.712 -10.445
500 HD12 LEU 54 2HD1 LEU 54 1.058 -3.526 -10.015
501 HD13 LEU 54 3HD1 LEU 54 1.364 -3.904 -11.711
502 HD21 LEU 54 3HD2 LEU 54 0.674 -6.066 -12.648
503 HD22 LEU 54 1HD2 LEU 54 -0.175 -7.246 -11.649
504 HD23 LEU 54 2HD2 LEU 54 1.549 -6.960 -11.405
505 H GLU 55 H GLU 55 0.611 -6.588 -6.363
506 HA GLU 55 HA GLU 55 -1.666 -8.076 -5.694
507 HB2 GLU 55 2HB GLU 55 0.923 -7.550 -4.266
508 HB3 GLU 55 1HB GLU 55 -0.340 -8.531 -3.534
509 HG2 GLU 55 2HG GLU 55 0.984 -9.071 -6.181
510 HG3 GLU 55 1HG GLU 55 1.327 -9.903 -4.662
511 H LEU 56 H LEU 56 -0.299 -5.170 -4.176
512 HA LEU 56 HA LEU 56 -2.176 -5.040 -2.065
513 HG LEU 56 HG LEU 56 0.947 -4.366 -2.345
514 HB2 LEU 56 2HB LEU 56 -0.599 -2.829 -3.387
515 HB3 LEU 56 1HB LEU 56 -1.500 -2.656 -1.894
516 HD11 LEU 56 1HD1 LEU 56 0.441 -1.993 -0.554
517 HD12 LEU 56 2HD1 LEU 56 1.364 -1.968 -2.059
518 HD13 LEU 56 3HD1 LEU 56 1.950 -2.899 -0.679
519 HD21 LEU 56 3HD2 LEU 56 -0.646 -5.528 -0.883
520 HD22 LEU 56 1HD2 LEU 56 -0.737 -4.098 0.144
521 HD23 LEU 56 2HD2 LEU 56 0.779 -4.987 0.005
522 H ASN 57 H ASN 57 -2.079 -3.486 -5.260
523 HA ASN 57 HA ASN 57 -4.515 -2.079 -4.925
524 HB2 ASN 57 2HB ASN 57 -2.915 -2.810 -7.369
525 HB3 ASN 57 1HB ASN 57 -4.453 -1.960 -7.488
526 HD21 ASN 57 1HD2 ASN 57 -3.931 -0.563 -4.922
527 HD22 ASN 57 2HD2 ASN 57 -2.789 0.672 -5.307
528 H GLU 58 H GLU 58 -3.774 -5.306 -6.121
529 HA GLU 58 HA GLU 58 -6.351 -5.919 -7.104
530 HB2 GLU 58 2HB GLU 58 -4.224 -7.283 -7.407
531 HB3 GLU 58 1HB GLU 58 -4.471 -7.870 -5.770
532 HG2 GLU 58 2HG GLU 58 -6.663 -8.762 -6.444
533 HG3 GLU 58 1HG GLU 58 -6.347 -8.235 -8.095
534 H LEU 59 H LEU 59 -4.812 -6.427 -3.967
535 HA LEU 59 HA LEU 59 -6.979 -7.506 -2.579
536 HG LEU 59 HG LEU 59 -6.507 -5.992 0.187
537 HB2 LEU 59 2HB LEU 59 -4.667 -7.426 -1.733
538 HB3 LEU 59 1HB LEU 59 -4.796 -5.690 -1.546
539 HD11 LEU 59 1HD1 LEU 59 -7.501 -8.078 -0.564
540 HD12 LEU 59 2HD1 LEU 59 -6.940 -8.229 1.103
541 HD13 LEU 59 3HD1 LEU 59 -6.002 -8.940 -0.212
542 HD21 LEU 59 3HD2 LEU 59 -4.005 -7.608 0.665
543 HD22 LEU 59 1HD2 LEU 59 -5.045 -6.917 1.911
544 HD23 LEU 59 2HD2 LEU 59 -4.150 -5.856 0.820
545 H ILE 60 H ILE 60 -6.048 -4.101 -3.034
546 HA ILE 60 HA ILE 60 -8.145 -2.932 -1.571
547 HB ILE 60 HB ILE 60 -6.706 -1.873 -4.011
548 HG12 ILE 60 2HG1 ILE 60 -6.297 -1.286 -1.072
549 HG13 ILE 60 1HG1 ILE 60 -5.273 -2.343 -2.039
550 HG21 ILE 60 1HG2 ILE 60 -8.479 -0.427 -2.045
551 HG22 ILE 60 2HG2 ILE 60 -8.818 -0.720 -3.752
552 HG23 ILE 60 3HG2 ILE 60 -7.493 0.345 -3.286
553 HD11 ILE 60 3HD1 ILE 60 -4.260 -0.165 -1.750
554 HD12 ILE 60 1HD1 ILE 60 -5.675 0.609 -2.463
555 HD13 ILE 60 2HD1 ILE 60 -4.657 -0.443 -3.446
556 H GLU 61 H GLU 61 -7.916 -3.753 -5.017
557 HA GLU 61 HA GLU 61 -10.466 -2.697 -5.676
558 HB2 GLU 61 2HB GLU 61 -8.331 -3.293 -7.151
559 HB3 GLU 61 1HB GLU 61 -9.217 -4.794 -7.383
560 HG2 GLU 61 2HG GLU 61 -9.687 -3.239 -9.172
561 HG3 GLU 61 1HG GLU 61 -11.137 -3.534 -8.211
562 H ALA 62 H ALA 62 -9.333 -5.860 -4.685
563 HA ALA 62 HA ALA 62 -11.648 -7.340 -5.335
564 HB1 ALA 62 3HB ALA 62 -10.816 -8.991 -3.731
565 HB2 ALA 62 1HB ALA 62 -9.651 -7.814 -3.119
566 HB3 ALA 62 2HB ALA 62 -9.520 -8.406 -4.776
567 H GLN 63 H GLN 63 -10.725 -5.443 -2.520
568 HA GLN 63 HA GLN 63 -13.042 -6.059 -0.989
569 HB2 GLN 63 2HB GLN 63 -11.109 -3.745 -0.853
570 HB3 GLN 63 1HB GLN 63 -12.398 -4.017 0.314
571 HG2 GLN 63 2HG GLN 63 -11.431 -6.063 1.022
572 HG3 GLN 63 1HG GLN 63 -10.249 -6.032 -0.279
573 HE21 GLN 63 1HE2 GLN 63 -8.481 -4.701 -0.116
574 HE22 GLN 63 2HE2 GLN 63 -8.030 -3.933 1.368
575 H ASN 64 H ASN 64 -12.210 -3.504 -3.265
576 HA ASN 64 HA ASN 64 -14.596 -2.006 -3.002
577 HB2 ASN 64 2HB ASN 64 -12.687 -2.290 -5.328
578 HB3 ASN 64 1HB ASN 64 -14.030 -1.153 -5.304
579 HD21 ASN 64 1HD2 ASN 64 -11.190 -0.646 -5.528
580 HD22 ASN 64 2HD2 ASN 64 -10.787 0.398 -4.201
581 H HIS 65 H HIS 65 -13.658 -4.682 -5.074
582 HA HIS 65 HA HIS 65 -16.293 -4.807 -6.314
583 HD1 HIS 65 HD1 HIS 65 -16.282 -5.024 -9.202
584 HD2 HIS 65 HD2 HIS 65 -15.139 -8.792 -7.853
585 HE1 HIS 65 HE1 HIS 65 -17.380 -6.666 -10.754
586 HE2 HIS 65 HE2 HIS 65 -16.500 -8.919 -10.051
587 HB2 HIS 65 2HB HIS 65 -14.117 -5.128 -7.577
588 HB3 HIS 65 1HB HIS 65 -13.912 -6.639 -6.706
589 H GLN 66 H GLN 66 -16.426 -5.171 -3.611
590 HA GLN 66 HA GLN 66 -16.337 -7.922 -2.858
591 HB2 GLN 66 2HB GLN 66 -17.532 -7.153 -0.821
592 HB3 GLN 66 1HB GLN 66 -16.078 -6.226 -1.164
593 HG2 GLN 66 2HG GLN 66 -17.506 -4.471 -2.181
594 HG3 GLN 66 1HG GLN 66 -18.923 -5.387 -1.669
595 HE21 GLN 66 1HE2 GLN 66 -15.979 -5.141 0.188
596 HE22 GLN 66 2HE2 GLN 66 -16.641 -4.211 1.486
597 H THR 67 H THR 67 -18.600 -5.985 -4.537
598 HA THR 67 HA THR 67 -20.883 -7.638 -4.050
599 HB THR 67 HB THR 67 -21.144 -5.292 -4.761
600 HG1 THR 67 HG1 THR 67 -22.890 -6.579 -5.246
601 HG21 THR 67 3HG2 THR 67 -20.031 -6.231 -7.409
602 HG22 THR 67 1HG2 THR 67 -19.230 -5.136 -6.282
603 HG23 THR 67 2HG2 THR 67 -20.721 -4.642 -7.082
604 H LYS 68 H LYS 68 -21.741 -9.240 -5.393
605 HA LYS 68 HA LYS 68 -19.723 -10.529 -7.083
606 HB2 LYS 68 2HB LYS 68 -20.875 -11.785 -5.205
607 HB3 LYS 68 1HB LYS 68 -22.353 -11.688 -6.154
608 HG2 LYS 68 2HG LYS 68 -21.124 -12.844 -8.010
609 HG3 LYS 68 1HG LYS 68 -19.802 -13.106 -6.873
610 HD2 LYS 68 2HD LYS 68 -21.405 -14.276 -5.372
611 HD3 LYS 68 1HD LYS 68 -22.634 -14.114 -6.627
612 HE2 LYS 68 2HE LYS 68 -21.040 -15.311 -8.172
613 HE3 LYS 68 1HE LYS 68 -20.054 -15.660 -6.754
614 HZ1 LYS 68 3HZ LYS 68 -21.414 -17.528 -7.071
615 HZ2 LYS 68 1HZ LYS 68 -22.803 -16.588 -7.344
616 HZ3 LYS 68 2HZ LYS 68 -22.139 -16.681 -5.790
617 H THR 69 H THR 69 -22.947 -9.168 -7.134
618 HA THR 69 HA THR 69 -23.607 -10.070 -9.761
619 HB THR 69 HB THR 69 -25.412 -8.282 -9.581
620 HG1 THR 69 HG1 THR 69 -23.947 -7.236 -7.817
621 HG21 THR 69 3HG2 THR 69 -25.807 -10.630 -8.988
622 HG22 THR 69 1HG2 THR 69 -26.697 -9.544 -7.918
623 HG23 THR 69 2HG2 THR 69 -25.216 -10.319 -7.358
624 H ALA 70 H ALA 70 -22.301 -9.475 -11.375
625 HA ALA 70 HA ALA 70 -21.944 -6.581 -11.803
626 HB1 ALA 70 3HB ALA 70 -19.901 -8.735 -12.351
627 HB2 ALA 70 1HB ALA 70 -19.823 -7.523 -11.071
628 HB3 ALA 70 2HB ALA 70 -19.731 -7.030 -12.763
629 H LEU 71 H LEU 71 -22.677 -9.706 -13.057
630 HA LEU 71 HA LEU 71 -23.657 -10.427 -14.956
631 HG LEU 71 HG LEU 71 -25.985 -9.795 -15.064
632 HB2 LEU 71 2HB LEU 71 -24.063 -7.482 -15.342
633 HB3 LEU 71 1HB LEU 71 -24.440 -8.601 -16.637
634 HD11 LEU 71 1HD1 LEU 71 -26.736 -8.600 -13.065
635 HD12 LEU 71 2HD1 LEU 71 -25.484 -7.384 -13.325
636 HD13 LEU 71 3HD1 LEU 71 -25.032 -9.048 -12.953
637 HD21 LEU 71 3HD2 LEU 71 -26.510 -6.895 -15.683
638 HD22 LEU 71 1HD2 LEU 71 -27.745 -8.058 -15.194
639 HD23 LEU 71 2HD2 LEU 71 -26.868 -8.289 -16.708
640 H GLU 72 H GLU 72 -21.961 -7.541 -16.180
641 HA GLU 72 HA GLU 72 -20.729 -9.068 -18.271
642 HB2 GLU 72 2HB GLU 72 -19.560 -6.958 -18.812
643 HB3 GLU 72 1HB GLU 72 -21.300 -6.745 -18.673
644 HG2 GLU 72 2HG GLU 72 -20.987 -5.846 -16.404
645 HG3 GLU 72 1HG GLU 72 -19.241 -6.010 -16.600
646 H HIS 73 H HIS 73 -20.123 -8.555 -15.058
647 HA HIS 73 HA HIS 73 -18.599 -9.135 -13.572
648 HD1 HIS 73 HD1 HIS 73 -19.283 -12.453 -16.521
649 HD2 HIS 73 HD2 HIS 73 -15.536 -10.655 -16.477
650 HE1 HIS 73 HE1 HIS 73 -18.198 -13.096 -18.695
651 HE2 HIS 73 HE2 HIS 73 -15.884 -12.108 -18.592
652 HB2 HIS 73 2HB HIS 73 -17.129 -11.069 -14.012
653 HB3 HIS 73 1HB HIS 73 -18.822 -11.348 -14.366
654 H HIS 74 H HIS 74 -16.973 -8.357 -16.619
655 HA HIS 74 HA HIS 74 -15.119 -7.141 -17.069
656 HD1 HIS 74 HD1 HIS 74 -13.094 -5.017 -13.594
657 HD2 HIS 74 HD2 HIS 74 -14.025 -4.786 -17.646
658 HE1 HIS 74 HE1 HIS 74 -11.293 -3.594 -14.632
659 HE2 HIS 74 HE2 HIS 74 -11.933 -3.379 -17.056
660 HB2 HIS 74 2HB HIS 74 -16.038 -5.530 -15.405
661 HB3 HIS 74 1HB HIS 74 -15.107 -6.343 -14.151
Start of MODEL 17
1 HA MET 1 HA MET 1 3.321 8.361 6.209
2 H1 MET 1 1H MET 1 2.532 10.564 6.933
3 H2 MET 1 2H MET 1 2.623 10.035 8.545
4 H3 MET 1 3H MET 1 1.565 9.278 7.461
5 HB2 MET 1 2HB MET 1 4.844 10.283 6.381
6 HB3 MET 1 1HB MET 1 5.143 9.900 8.071
7 HG2 MET 1 2HG MET 1 6.135 7.766 7.408
8 HG3 MET 1 1HG MET 1 5.847 8.162 5.714
9 HE1 MET 1 3HE MET 1 8.421 7.696 5.188
10 HE2 MET 1 1HE MET 1 8.696 7.306 6.886
11 HE3 MET 1 2HE MET 1 9.746 8.459 6.065
12 H ARG 2 H ARG 2 3.894 6.299 6.727
13 HA ARG 2 HA ARG 2 4.312 5.619 9.543
14 HE ARG 2 HE ARG 2 0.612 5.496 12.016
15 HB2 ARG 2 2HB ARG 2 2.160 4.528 7.776
16 HB3 ARG 2 1HB ARG 2 2.919 3.460 8.947
17 HG2 ARG 2 2HG ARG 2 1.515 6.049 9.563
18 HG3 ARG 2 1HG ARG 2 0.888 4.423 9.841
19 HD2 ARG 2 2HD ARG 2 2.835 3.998 11.334
20 HD3 ARG 2 1HD ARG 2 3.292 5.689 11.145
21 HH11 ARG 2 1HH1 ARG 2 3.913 5.162 13.153
22 HH12 ARG 2 2HH1 ARG 2 3.502 5.479 14.815
23 HH21 ARG 2 1HH2 ARG 2 0.064 5.881 14.197
24 HH22 ARG 2 2HH2 ARG 2 1.321 5.889 15.410
25 H VAL 3 H VAL 3 5.918 4.221 9.839
26 HA VAL 3 HA VAL 3 7.112 2.971 7.464
27 HB VAL 3 HB VAL 3 8.334 3.434 10.196
28 HG11 VAL 3 1HG1 VAL 3 9.566 2.364 7.658
29 HG12 VAL 3 2HG1 VAL 3 9.258 1.451 9.135
30 HG13 VAL 3 3HG1 VAL 3 10.444 2.756 9.138
31 HG21 VAL 3 3HG2 VAL 3 8.852 4.818 7.568
32 HG22 VAL 3 1HG2 VAL 3 9.717 5.107 9.078
33 HG23 VAL 3 2HG2 VAL 3 8.005 5.508 8.952
34 H PHE 4 H PHE 4 6.634 0.924 7.155
35 HA PHE 4 HA PHE 4 5.640 -0.669 9.395
36 HD1 PHE 4 HD1 PHE 4 4.148 1.334 7.412
37 HD2 PHE 4 HD2 PHE 4 2.882 -2.699 7.907
38 HE1 PHE 4 HE1 PHE 4 1.841 2.107 7.786
39 HE2 PHE 4 HE2 PHE 4 0.574 -1.935 8.288
40 HZ PHE 4 HZ PHE 4 0.051 0.474 8.227
41 HB2 PHE 4 2HB PHE 4 5.375 -0.893 6.411
42 HB3 PHE 4 1HB PHE 4 5.077 -2.291 7.437
43 HA PRO 5 HA PRO 5 9.562 -2.852 9.249
44 HB2 PRO 5 2HB PRO 5 9.348 -4.000 11.658
45 HB3 PRO 5 1HB PRO 5 9.699 -2.273 11.493
46 HG2 PRO 5 2HG PRO 5 7.114 -3.630 12.139
47 HG3 PRO 5 1HG PRO 5 7.809 -2.152 12.830
48 HD2 PRO 5 2HD PRO 5 5.871 -2.210 10.861
49 HD3 PRO 5 1HD PRO 5 6.962 -0.843 11.163
50 H VAL 6 H VAL 6 6.472 -3.832 8.868
51 HA VAL 6 HA VAL 6 7.224 -6.640 8.495
52 HB VAL 6 HB VAL 6 4.989 -7.351 9.299
53 HG11 VAL 6 1HG1 VAL 6 6.878 -7.497 10.814
54 HG12 VAL 6 2HG1 VAL 6 5.416 -7.063 11.702
55 HG13 VAL 6 3HG1 VAL 6 6.621 -5.831 11.329
56 HG21 VAL 6 3HG2 VAL 6 3.598 -5.818 10.594
57 HG22 VAL 6 1HG2 VAL 6 3.791 -5.247 8.936
58 HG23 VAL 6 2HG2 VAL 6 4.710 -4.495 10.241
59 H TYR 7 H TYR 7 6.019 -7.714 6.851
60 HA TYR 7 HA TYR 7 4.797 -5.858 4.937
61 HD1 TYR 7 HD2 TYR 7 5.414 -5.576 2.419
62 HD2 TYR 7 HD1 TYR 7 4.674 -9.742 2.870
63 HE1 TYR 7 HE2 TYR 7 4.390 -5.636 0.181
64 HE2 TYR 7 HE1 TYR 7 3.649 -9.810 0.640
65 HH TYR 7 HH TYR 7 2.586 -8.322 -0.956
66 HB2 TYR 7 2HB TYR 7 6.715 -7.144 4.094
67 HB3 TYR 7 1HB TYR 7 5.898 -8.647 4.507
68 H ALA 8 H ALA 8 2.721 -5.738 5.710
69 HA ALA 8 HA ALA 8 1.182 -8.245 5.583
70 HB1 ALA 8 3HB ALA 8 -0.260 -7.393 7.378
71 HB2 ALA 8 1HB ALA 8 0.776 -5.972 7.526
72 HB3 ALA 8 2HB ALA 8 1.413 -7.573 7.908
73 HA PRO 9 HA PRO 9 -0.368 -5.662 2.125
74 HB2 PRO 9 2HB PRO 9 -1.889 -8.235 1.963
75 HB3 PRO 9 1HB PRO 9 -1.172 -7.272 0.669
76 HG2 PRO 9 2HG PRO 9 0.061 -9.449 1.512
77 HG3 PRO 9 1HG PRO 9 0.992 -7.979 1.169
78 HD2 PRO 9 2HD PRO 9 0.212 -9.157 3.798
79 HD3 PRO 9 1HD PRO 9 1.694 -8.291 3.340
80 H LYS 10 H LYS 10 -2.560 -7.833 3.911
81 HA LYS 10 HA LYS 10 -4.895 -6.412 3.366
82 HB2 LYS 10 2HB LYS 10 -4.265 -8.243 5.681
83 HB3 LYS 10 1HB LYS 10 -5.879 -7.680 5.270
84 HG2 LYS 10 2HG LYS 10 -5.712 -8.780 3.092
85 HG3 LYS 10 1HG LYS 10 -4.089 -9.342 3.505
86 HD2 LYS 10 2HD LYS 10 -4.964 -10.658 5.329
87 HD3 LYS 10 1HD LYS 10 -6.585 -10.018 5.058
88 HE2 LYS 10 2HE LYS 10 -6.384 -12.251 4.128
89 HE3 LYS 10 1HE LYS 10 -6.620 -11.067 2.846
90 HZ1 LYS 10 3HZ LYS 10 -4.268 -11.146 2.359
91 HZ2 LYS 10 1HZ LYS 10 -4.920 -12.708 2.297
92 HZ3 LYS 10 2HZ LYS 10 -4.002 -12.232 3.634
93 H LEU 11 H LEU 11 -2.697 -6.140 6.143
94 HA LEU 11 HA LEU 11 -4.203 -4.259 7.587
95 HG LEU 11 HG LEU 11 -2.639 -6.464 8.732
96 HB2 LEU 11 2HB LEU 11 -1.259 -4.852 7.468
97 HB3 LEU 11 1HB LEU 11 -1.881 -3.552 8.465
98 HD11 LEU 11 1HD1 LEU 11 -0.856 -4.719 10.430
99 HD12 LEU 11 2HD1 LEU 11 -0.345 -6.075 9.425
100 HD13 LEU 11 3HD1 LEU 11 -1.371 -6.357 10.832
101 HD21 LEU 11 3HD2 LEU 11 -4.450 -4.971 9.375
102 HD22 LEU 11 1HD2 LEU 11 -3.351 -4.059 10.409
103 HD23 LEU 11 2HD2 LEU 11 -3.741 -5.735 10.799
104 H ILE 12 H ILE 12 -1.716 -3.847 5.102
105 HA ILE 12 HA ILE 12 -1.536 -1.063 5.162
106 HB ILE 12 HB ILE 12 -1.199 -2.905 2.790
107 HG12 ILE 12 2HG1 ILE 12 0.850 -1.760 4.702
108 HG13 ILE 12 1HG1 ILE 12 0.258 -3.417 4.730
109 HG21 ILE 12 1HG2 ILE 12 0.147 -1.112 1.811
110 HG22 ILE 12 2HG2 ILE 12 -0.239 -0.072 3.182
111 HG23 ILE 12 3HG2 ILE 12 -1.517 -0.589 2.081
112 HD11 ILE 12 3HD1 ILE 12 1.208 -3.811 2.530
113 HD12 ILE 12 1HD1 ILE 12 2.439 -3.242 3.659
114 HD13 ILE 12 2HD1 ILE 12 1.764 -2.138 2.461
115 H VAL 13 H VAL 13 -3.691 -3.162 3.281
116 HA VAL 13 HA VAL 13 -4.938 -1.138 1.786
117 HB VAL 13 HB VAL 13 -6.078 -3.803 2.643
118 HG11 VAL 13 1HG1 VAL 13 -7.559 -3.561 0.696
119 HG12 VAL 13 2HG1 VAL 13 -6.927 -1.935 0.432
120 HG13 VAL 13 3HG1 VAL 13 -7.836 -2.302 1.898
121 HG21 VAL 13 3HG2 VAL 13 -4.653 -3.018 0.105
122 HG22 VAL 13 1HG2 VAL 13 -5.340 -4.602 0.471
123 HG23 VAL 13 2HG2 VAL 13 -3.972 -3.996 1.406
124 H LYS 14 H LYS 14 -5.823 -2.601 4.907
125 HA LYS 14 HA LYS 14 -8.248 -1.168 5.171
126 HB2 LYS 14 2HB LYS 14 -7.487 -3.275 6.440
127 HB3 LYS 14 1HB LYS 14 -6.625 -2.173 7.503
128 HG2 LYS 14 2HG LYS 14 -9.521 -1.714 6.977
129 HG3 LYS 14 1HG LYS 14 -9.039 -2.993 8.089
130 HD2 LYS 14 2HD LYS 14 -7.961 -0.209 8.372
131 HD3 LYS 14 1HD LYS 14 -9.541 -0.640 9.028
132 HE2 LYS 14 2HE LYS 14 -7.001 -2.130 9.660
133 HE3 LYS 14 1HE LYS 14 -7.632 -0.812 10.647
134 HZ1 LYS 14 3HZ LYS 14 -8.268 -3.029 11.466
135 HZ2 LYS 14 1HZ LYS 14 -9.113 -3.319 10.028
136 HZ3 LYS 14 2HZ LYS 14 -9.615 -2.078 11.067
137 H HIS 15 H HIS 15 -4.922 -0.469 6.093
138 HA HIS 15 HA HIS 15 -5.507 1.891 7.560
139 HD1 HIS 15 HD1 HIS 15 -3.371 2.706 9.501
140 HD2 HIS 15 HD2 HIS 15 -2.692 -1.163 8.144
141 HE1 HIS 15 HE1 HIS 15 -2.644 1.399 11.518
142 HE2 HIS 15 HE2 HIS 15 -2.429 -0.977 10.710
143 HB2 HIS 15 2HB HIS 15 -3.032 0.802 6.256
144 HB3 HIS 15 1HB HIS 15 -3.045 2.447 6.867
145 H ALA 16 H ALA 16 -4.778 1.231 4.165
146 HA ALA 16 HA ALA 16 -4.421 3.864 3.292
147 HB1 ALA 16 3HB ALA 16 -3.815 1.875 1.974
148 HB2 ALA 16 1HB ALA 16 -4.785 3.024 1.053
149 HB3 ALA 16 2HB ALA 16 -5.527 1.558 1.693
150 H ARG 17 H ARG 17 -7.355 2.049 3.882
151 HA ARG 17 HA ARG 17 -9.156 3.709 2.508
152 HE ARG 17 HE ARG 17 -12.160 1.050 2.413
153 HB2 ARG 17 2HB ARG 17 -9.811 1.518 3.318
154 HB3 ARG 17 1HB ARG 17 -9.550 2.017 4.981
155 HG2 ARG 17 2HG ARG 17 -11.413 3.538 4.869
156 HG3 ARG 17 1HG ARG 17 -11.622 3.205 3.148
157 HD2 ARG 17 2HD ARG 17 -11.808 1.063 5.254
158 HD3 ARG 17 1HD ARG 17 -13.200 2.012 4.740
159 HH11 ARG 17 1HH1 ARG 17 -13.190 -0.480 5.400
160 HH12 ARG 17 2HH1 ARG 17 -13.754 -1.921 4.598
161 HH21 ARG 17 1HH2 ARG 17 -12.932 -0.845 1.384
162 HH22 ARG 17 2HH2 ARG 17 -13.617 -2.122 2.352
163 H ILE 18 H ILE 18 -7.506 4.112 5.527
164 HA ILE 18 HA ILE 18 -9.181 6.411 6.273
165 HB ILE 18 HB ILE 18 -6.997 5.041 7.856
166 HG12 ILE 18 2HG1 ILE 18 -9.998 4.782 8.157
167 HG13 ILE 18 1HG1 ILE 18 -8.971 3.586 7.374
168 HG21 ILE 18 1HG2 ILE 18 -7.943 6.242 9.776
169 HG22 ILE 18 2HG2 ILE 18 -9.081 7.054 8.702
170 HG23 ILE 18 3HG2 ILE 18 -7.351 7.351 8.539
171 HD11 ILE 18 3HD1 ILE 18 -9.499 2.942 9.653
172 HD12 ILE 18 1HD1 ILE 18 -8.795 4.444 10.250
173 HD13 ILE 18 2HD1 ILE 18 -7.771 3.242 9.466
174 H PHE 19 H PHE 19 -5.908 5.473 5.467
175 HA PHE 19 HA PHE 19 -4.908 8.185 5.920
176 HD1 PHE 19 HD1 PHE 19 -2.937 8.392 7.877
177 HD2 PHE 19 HD2 PHE 19 -4.294 4.387 7.441
178 HE1 PHE 19 HE1 PHE 19 -3.068 8.177 10.323
179 HE2 PHE 19 HE2 PHE 19 -4.423 4.160 9.888
180 HZ PHE 19 HZ PHE 19 -3.811 6.058 11.333
181 HB2 PHE 19 2HB PHE 19 -3.455 5.559 5.580
182 HB3 PHE 19 1HB PHE 19 -2.653 7.116 5.764
183 H LEU 20 H LEU 20 -6.370 6.923 3.501
184 HA LEU 20 HA LEU 20 -5.166 6.393 1.264
185 HG LEU 20 HG LEU 20 -7.406 8.887 2.707
186 HB2 LEU 20 2HB LEU 20 -6.884 7.701 0.024
187 HB3 LEU 20 1HB LEU 20 -7.498 6.653 1.284
188 HD11 LEU 20 1HD1 LEU 20 -8.049 10.817 1.321
189 HD12 LEU 20 2HD1 LEU 20 -7.710 9.869 -0.127
190 HD13 LEU 20 3HD1 LEU 20 -6.406 10.269 0.990
191 HD21 LEU 20 3HD2 LEU 20 -9.398 7.567 2.331
192 HD22 LEU 20 1HD2 LEU 20 -9.547 8.212 0.697
193 HD23 LEU 20 2HD2 LEU 20 -9.753 9.277 2.087
194 H THR 21 H THR 21 -4.907 9.702 2.535
195 HA THR 21 HA THR 21 -3.012 10.184 0.345
196 HB THR 21 HB THR 21 -4.681 11.876 0.268
197 HG1 THR 21 HG1 THR 21 -2.816 12.886 -0.140
198 HG21 THR 21 3HG2 THR 21 -4.177 12.375 3.199
199 HG22 THR 21 1HG2 THR 21 -5.632 11.679 2.486
200 HG23 THR 21 2HG2 THR 21 -5.203 13.357 2.156
201 H GLY 22 H GLY 22 -1.147 9.346 1.101
202 HA2 GLY 22 2HA GLY 22 0.338 10.752 3.044
203 HA3 GLY 22 1HA GLY 22 -0.313 9.292 3.768
204 H VAL 23 H VAL 23 2.180 9.142 3.925
205 HA VAL 23 HA VAL 23 3.109 7.586 1.600
206 HB VAL 23 HB VAL 23 4.830 9.280 3.426
207 HG11 VAL 23 1HG1 VAL 23 5.563 7.692 0.964
208 HG12 VAL 23 2HG1 VAL 23 5.999 7.295 2.626
209 HG13 VAL 23 3HG1 VAL 23 6.647 8.748 1.869
210 HG21 VAL 23 3HG2 VAL 23 5.198 10.677 1.428
211 HG22 VAL 23 1HG2 VAL 23 3.514 10.679 1.952
212 HG23 VAL 23 2HG2 VAL 23 4.002 9.716 0.557
213 H ILE 24 H ILE 24 3.893 5.593 2.004
214 HA ILE 24 HA ILE 24 4.203 4.802 4.831
215 HB ILE 24 HB ILE 24 2.220 3.739 3.896
216 HG12 ILE 24 2HG1 ILE 24 4.526 1.788 4.129
217 HG13 ILE 24 1HG1 ILE 24 3.564 2.416 5.464
218 HG21 ILE 24 1HG2 ILE 24 4.052 2.685 1.752
219 HG22 ILE 24 2HG2 ILE 24 2.748 3.856 1.547
220 HG23 ILE 24 3HG2 ILE 24 2.376 2.191 1.996
221 HD11 ILE 24 3HD1 ILE 24 2.548 0.683 3.220
222 HD12 ILE 24 1HD1 ILE 24 1.586 1.311 4.560
223 HD13 ILE 24 2HD1 ILE 24 2.889 0.162 4.871
224 H TRP 25 H TRP 25 6.061 3.702 5.351
225 HA TRP 25 HA TRP 25 7.887 3.130 3.111
226 HD1 TRP 25 HD1 TRP 25 10.422 1.733 4.523
227 HE1 TRP 25 HE1 TRP 25 12.775 2.165 3.583
228 HE3 TRP 25 HE3 TRP 25 10.122 6.795 3.901
229 HZ2 TRP 25 HZ2 TRP 25 14.301 4.363 2.688
230 HZ3 TRP 25 HZ3 TRP 25 12.073 7.986 2.993
231 HH2 TRP 25 HH2 TRP 25 14.116 6.794 2.401
232 HB2 TRP 25 2HB TRP 25 8.512 5.122 4.579
233 HB3 TRP 25 1HB TRP 25 8.779 3.963 5.875
234 H VAL 26 H VAL 26 7.844 0.982 2.908
235 HA VAL 26 HA VAL 26 7.852 -0.683 5.329
236 HB VAL 26 HB VAL 26 7.728 -1.727 2.515
237 HG11 VAL 26 1HG1 VAL 26 8.161 -3.357 4.245
238 HG12 VAL 26 2HG1 VAL 26 6.547 -3.599 3.575
239 HG13 VAL 26 3HG1 VAL 26 6.742 -2.815 5.141
240 HG21 VAL 26 3HG2 VAL 26 5.366 -0.846 4.170
241 HG22 VAL 26 1HG2 VAL 26 5.284 -1.703 2.630
242 HG23 VAL 26 2HG2 VAL 26 5.945 -0.068 2.696
243 H LYS 27 H LYS 27 9.504 -2.244 5.633
244 HA LYS 27 HA LYS 27 12.073 -1.306 4.857
245 HB2 LYS 27 2HB LYS 27 11.230 -3.830 6.284
246 HB3 LYS 27 1HB LYS 27 12.895 -3.306 6.086
247 HG2 LYS 27 2HG LYS 27 12.356 -1.236 7.327
248 HG3 LYS 27 1HG LYS 27 10.726 -1.862 7.593
249 HD2 LYS 27 2HD LYS 27 11.641 -3.772 8.797
250 HD3 LYS 27 1HD LYS 27 13.280 -3.190 8.495
251 HE2 LYS 27 2HE LYS 27 12.751 -1.137 9.753
252 HE3 LYS 27 1HE LYS 27 11.149 -1.787 10.105
253 HZ1 LYS 27 3HZ LYS 27 12.598 -2.173 11.957
254 HZ2 LYS 27 1HZ LYS 27 13.751 -2.929 10.969
255 HZ3 LYS 27 2HZ LYS 27 12.247 -3.664 11.231
256 H ASP 28 H ASP 28 9.949 -3.836 3.749
257 HA ASP 28 HA ASP 28 11.863 -5.153 2.100
258 HB2 ASP 28 2HB ASP 28 8.885 -5.231 2.355
259 HB3 ASP 28 1HB ASP 28 9.629 -5.924 0.918
260 H LEU 29 H LEU 29 9.193 -2.933 1.306
261 HA LEU 29 HA LEU 29 10.043 -2.866 -1.459
262 HG LEU 29 HG LEU 29 7.406 -3.810 0.064
263 HB2 LEU 29 2HB LEU 29 7.788 -1.396 -0.094
264 HB3 LEU 29 1HB LEU 29 8.030 -1.541 -1.827
265 HD11 LEU 29 1HD1 LEU 29 5.260 -3.881 -1.083
266 HD12 LEU 29 2HD1 LEU 29 5.726 -2.488 -2.060
267 HD13 LEU 29 3HD1 LEU 29 5.512 -2.311 -0.319
268 HD21 LEU 29 3HD2 LEU 29 7.723 -3.783 -2.937
269 HD22 LEU 29 1HD2 LEU 29 7.207 -5.160 -1.963
270 HD23 LEU 29 2HD2 LEU 29 8.838 -4.515 -1.783
271 H GLY 30 H GLY 30 9.685 -0.513 1.182
272 HA2 GLY 30 2HA GLY 30 11.452 1.231 1.284
273 HA3 GLY 30 1HA GLY 30 11.222 1.405 -0.453
274 H ARG 31 H ARG 31 10.636 3.587 -0.310
275 HA ARG 31 HA ARG 31 8.381 4.316 1.359
276 HE ARG 31 HE ARG 31 11.671 8.226 0.664
277 HB2 ARG 31 2HB ARG 31 8.796 6.589 0.675
278 HB3 ARG 31 1HB ARG 31 10.338 5.843 1.075
279 HG2 ARG 31 2HG ARG 31 10.874 5.569 -1.243
280 HG3 ARG 31 1HG ARG 31 9.274 6.120 -1.726
281 HD2 ARG 31 2HD ARG 31 10.783 7.928 -2.066
282 HD3 ARG 31 1HD ARG 31 9.796 8.319 -0.659
283 HH11 ARG 31 1HH1 ARG 31 12.404 6.899 -2.488
284 HH12 ARG 31 2HH1 ARG 31 14.120 6.886 -2.242
285 HH21 ARG 31 1HH2 ARG 31 13.943 8.243 0.993
286 HH22 ARG 31 2HH2 ARG 31 15.000 7.646 -0.252
287 H LEU 32 H LEU 32 6.341 4.500 0.704
288 HA LEU 32 HA LEU 32 5.772 4.545 -2.186
289 HG LEU 32 HG LEU 32 6.357 1.802 -0.815
290 HB2 LEU 32 2HB LEU 32 4.291 2.952 -0.087
291 HB3 LEU 32 1HB LEU 32 3.807 3.108 -1.763
292 HD11 LEU 32 1HD1 LEU 32 4.365 0.535 -0.181
293 HD12 LEU 32 2HD1 LEU 32 5.288 -0.290 -1.438
294 HD13 LEU 32 3HD1 LEU 32 3.810 0.578 -1.854
295 HD21 LEU 32 3HD2 LEU 32 6.574 2.773 -3.040
296 HD22 LEU 32 1HD2 LEU 32 5.101 1.948 -3.554
297 HD23 LEU 32 2HD2 LEU 32 6.532 1.012 -3.124
298 H GLU 33 H GLU 33 4.823 6.424 -2.597
299 HA GLU 33 HA GLU 33 3.243 7.684 -0.488
300 HB2 GLU 33 2HB GLU 33 3.343 9.692 -2.053
301 HB3 GLU 33 1HB GLU 33 4.856 9.193 -1.317
302 HG2 GLU 33 2HG GLU 33 5.321 7.923 -3.454
303 HG3 GLU 33 1HG GLU 33 3.951 8.790 -4.151
304 H PHE 34 H PHE 34 1.120 7.536 -0.525
305 HA PHE 34 HA PHE 34 -0.164 6.880 -3.088
306 HD1 PHE 34 HD1 PHE 34 1.262 5.071 0.130
307 HD2 PHE 34 HD2 PHE 34 -2.796 6.319 0.409
308 HE1 PHE 34 HE1 PHE 34 1.395 4.943 2.585
309 HE2 PHE 34 HE2 PHE 34 -2.665 6.201 2.860
310 HZ PHE 34 HZ PHE 34 -0.574 5.511 3.950
311 HB2 PHE 34 2HB PHE 34 -1.903 5.684 -1.673
312 HB3 PHE 34 1HB PHE 34 -0.330 4.913 -1.797
313 H GLU 35 H GLU 35 -2.129 7.770 -3.556
314 HA GLU 35 HA GLU 35 -3.151 9.849 -1.761
315 HB2 GLU 35 2HB GLU 35 -1.619 10.910 -3.410
316 HB3 GLU 35 1HB GLU 35 -2.594 10.243 -4.711
317 HG2 GLU 35 2HG GLU 35 -3.129 12.568 -4.360
318 HG3 GLU 35 1HG GLU 35 -4.507 11.549 -3.951
319 H LYS 36 H LYS 36 -5.349 9.917 -1.725
320 HA LYS 36 HA LYS 36 -7.524 9.318 -2.078
321 HB2 LYS 36 2HB LYS 36 -6.608 8.704 -4.898
322 HB3 LYS 36 1HB LYS 36 -8.277 8.869 -4.373
323 HG2 LYS 36 2HG LYS 36 -8.000 11.200 -3.972
324 HG3 LYS 36 1HG LYS 36 -6.251 11.086 -4.196
325 HD2 LYS 36 2HD LYS 36 -6.628 10.411 -6.539
326 HD3 LYS 36 1HD LYS 36 -8.364 10.606 -6.297
327 HE2 LYS 36 2HE LYS 36 -6.340 12.807 -5.927
328 HE3 LYS 36 1HE LYS 36 -7.255 12.541 -7.410
329 HZ1 LYS 36 3HZ LYS 36 -9.303 12.845 -6.120
330 HZ2 LYS 36 1HZ LYS 36 -8.314 14.223 -6.094
331 HZ3 LYS 36 2HZ LYS 36 -8.383 13.201 -4.741
332 H GLY 37 H GLY 37 -5.306 7.301 -1.453
333 HA2 GLY 37 2HA GLY 37 -5.461 5.054 -0.806
334 HA3 GLY 37 1HA GLY 37 -6.932 4.903 -1.758
335 H ARG 38 H ARG 38 -4.966 6.404 -3.801
336 HA ARG 38 HA ARG 38 -4.168 3.891 -5.089
337 HE ARG 38 HE ARG 38 -8.264 6.483 -7.200
338 HB2 ARG 38 2HB ARG 38 -4.092 6.703 -6.220
339 HB3 ARG 38 1HB ARG 38 -3.910 5.199 -7.113
340 HG2 ARG 38 2HG ARG 38 -6.228 4.618 -6.625
341 HG3 ARG 38 1HG ARG 38 -6.414 6.119 -5.713
342 HD2 ARG 38 2HD ARG 38 -5.803 7.363 -7.790
343 HD3 ARG 38 1HD ARG 38 -5.841 5.829 -8.657
344 HH11 ARG 38 1HH1 ARG 38 -6.540 6.616 -10.245
345 HH12 ARG 38 2HH1 ARG 38 -7.963 6.898 -11.192
346 HH21 ARG 38 1HH2 ARG 38 -10.160 6.876 -8.458
347 HH22 ARG 38 2HH2 ARG 38 -10.006 7.050 -10.187
348 H PHE 39 H PHE 39 -2.309 3.190 -4.897
349 HA PHE 39 HA PHE 39 -0.156 4.593 -3.683
350 HD1 PHE 39 HD1 PHE 39 -2.264 1.851 -2.806
351 HD2 PHE 39 HD2 PHE 39 1.927 2.442 -2.386
352 HE1 PHE 39 HE1 PHE 39 -2.428 1.280 -0.418
353 HE2 PHE 39 HE2 PHE 39 1.774 1.878 0.002
354 HZ PHE 39 HZ PHE 39 -0.407 1.294 0.990
355 HB2 PHE 39 2HB PHE 39 -0.762 1.900 -4.743
356 HB3 PHE 39 1HB PHE 39 0.947 2.316 -4.546
357 H LEU 40 H LEU 40 1.060 6.038 -4.760
358 HA LEU 40 HA LEU 40 1.400 5.876 -7.627
359 HG LEU 40 HG LEU 40 0.493 8.170 -7.773
360 HB2 LEU 40 2HB LEU 40 2.487 7.775 -5.548
361 HB3 LEU 40 1HB LEU 40 2.967 7.846 -7.229
362 HD11 LEU 40 1HD1 LEU 40 0.389 8.753 -4.815
363 HD12 LEU 40 2HD1 LEU 40 -0.439 7.438 -5.649
364 HD13 LEU 40 3HD1 LEU 40 -0.885 9.112 -5.982
365 HD21 LEU 40 3HD2 LEU 40 0.605 10.564 -7.298
366 HD22 LEU 40 1HD2 LEU 40 2.145 9.954 -7.903
367 HD23 LEU 40 2HD2 LEU 40 1.941 10.284 -6.181
368 H LEU 41 H LEU 41 2.787 4.481 -8.452
369 HA LEU 41 HA LEU 41 5.028 3.561 -6.871
370 HG LEU 41 HG LEU 41 2.978 3.368 -9.924
371 HB2 LEU 41 2HB LEU 41 5.400 2.009 -8.799
372 HB3 LEU 41 1HB LEU 41 3.856 1.836 -7.997
373 HD11 LEU 41 1HD1 LEU 41 5.138 3.937 -10.879
374 HD12 LEU 41 2HD1 LEU 41 4.166 3.031 -12.039
375 HD13 LEU 41 3HD1 LEU 41 5.474 2.230 -11.170
376 HD21 LEU 41 3HD2 LEU 41 2.531 1.376 -11.275
377 HD22 LEU 41 1HD2 LEU 41 2.295 1.065 -9.554
378 HD23 LEU 41 2HD2 LEU 41 3.752 0.489 -10.363
379 HA PRO 42 HA PRO 42 8.154 6.118 -8.738
380 HB2 PRO 42 2HB PRO 42 9.803 3.659 -8.725
381 HB3 PRO 42 1HB PRO 42 10.125 5.232 -7.990
382 HG2 PRO 42 2HG PRO 42 9.442 3.092 -6.514
383 HG3 PRO 42 1HG PRO 42 8.931 4.733 -6.080
384 HD2 PRO 42 2HD PRO 42 7.359 2.524 -7.328
385 HD3 PRO 42 1HD PRO 42 6.842 3.774 -6.179
386 H ARG 43 H ARG 43 8.219 6.620 -10.809
387 HA ARG 43 HA ARG 43 7.191 4.957 -12.810
388 HE ARG 43 HE ARG 43 4.447 8.985 -13.773
389 HB2 ARG 43 2HB ARG 43 8.760 7.526 -12.973
390 HB3 ARG 43 1HB ARG 43 8.031 6.744 -14.373
391 HG2 ARG 43 2HG ARG 43 5.834 6.955 -13.408
392 HG3 ARG 43 1HG ARG 43 6.516 7.609 -11.920
393 HD2 ARG 43 2HD ARG 43 7.251 9.589 -13.066
394 HD3 ARG 43 1HD ARG 43 6.769 8.914 -14.624
395 HH11 ARG 43 1HH1 ARG 43 6.863 11.030 -12.290
396 HH12 ARG 43 2HH1 ARG 43 5.723 12.232 -11.763
397 HH21 ARG 43 1HH2 ARG 43 2.926 10.550 -13.117
398 HH22 ARG 43 2HH2 ARG 43 3.462 11.962 -12.245
399 H LYS 44 H LYS 44 10.474 5.378 -11.714
400 HA LYS 44 HA LYS 44 11.084 3.034 -13.340
401 HB2 LYS 44 2HB LYS 44 13.378 3.844 -13.788
402 HB3 LYS 44 1HB LYS 44 12.145 4.817 -14.568
403 HG2 LYS 44 2HG LYS 44 12.404 6.542 -12.885
404 HG3 LYS 44 1HG LYS 44 13.586 5.547 -12.027
405 HD2 LYS 44 2HD LYS 44 15.023 5.593 -14.043
406 HD3 LYS 44 1HD LYS 44 13.860 6.671 -14.816
407 HE2 LYS 44 2HE LYS 44 15.663 7.985 -13.922
408 HE3 LYS 44 1HE LYS 44 14.207 8.288 -12.973
409 HZ1 LYS 44 3HZ LYS 44 16.458 6.505 -12.204
410 HZ2 LYS 44 1HZ LYS 44 15.040 6.729 -11.300
411 HZ3 LYS 44 2HZ LYS 44 16.103 8.022 -11.534
412 H SER 45 H SER 45 10.984 1.622 -11.722
413 HA SER 45 HA SER 45 12.953 1.917 -9.565
414 HG SER 45 HG SER 45 12.122 1.751 -7.262
415 HB2 SER 45 2HB SER 45 10.656 2.602 -8.784
416 HB3 SER 45 1HB SER 45 10.113 0.961 -9.120
417 H LEU 46 H LEU 46 12.178 -0.451 -8.234
418 HA LEU 46 HA LEU 46 13.285 -2.401 -10.099
419 HG LEU 46 HG LEU 46 14.725 -0.983 -7.803
420 HB2 LEU 46 2HB LEU 46 12.880 -2.481 -7.107
421 HB3 LEU 46 1HB LEU 46 13.602 -3.775 -8.046
422 HD11 LEU 46 1HD1 LEU 46 16.474 -2.032 -6.450
423 HD12 LEU 46 2HD1 LEU 46 15.603 -3.564 -6.520
424 HD13 LEU 46 3HD1 LEU 46 14.887 -2.177 -5.697
425 HD21 LEU 46 3HD2 LEU 46 16.696 -1.929 -8.894
426 HD22 LEU 46 1HD2 LEU 46 15.269 -2.042 -9.927
427 HD23 LEU 46 2HD2 LEU 46 15.858 -3.471 -9.076
428 HA PRO 47 HA PRO 47 9.465 -4.367 -11.026
429 HB2 PRO 47 2HB PRO 47 11.032 -6.893 -10.823
430 HB3 PRO 47 1HB PRO 47 10.036 -6.287 -12.151
431 HG2 PRO 47 2HG PRO 47 12.691 -6.201 -12.300
432 HG3 PRO 47 1HG PRO 47 11.700 -4.871 -12.928
433 HD2 PRO 47 2HD PRO 47 13.290 -5.023 -10.403
434 HD3 PRO 47 1HD PRO 47 13.035 -3.648 -11.497
435 H LYS 48 H LYS 48 11.426 -5.629 -8.380
436 HA LYS 48 HA LYS 48 9.532 -7.326 -7.199
437 HB2 LYS 48 2HB LYS 48 11.939 -7.256 -6.617
438 HB3 LYS 48 1HB LYS 48 11.687 -5.701 -5.838
439 HG2 LYS 48 2HG LYS 48 10.106 -6.801 -4.273
440 HG3 LYS 48 1HG LYS 48 10.523 -8.349 -5.010
441 HD2 LYS 48 2HD LYS 48 12.418 -6.474 -3.597
442 HD3 LYS 48 1HD LYS 48 11.799 -8.001 -2.970
443 HE2 LYS 48 2HE LYS 48 12.915 -9.216 -4.749
444 HE3 LYS 48 1HE LYS 48 13.484 -7.702 -5.452
445 HZ1 LYS 48 3HZ LYS 48 14.763 -7.289 -3.448
446 HZ2 LYS 48 1HZ LYS 48 15.200 -8.778 -4.135
447 HZ3 LYS 48 2HZ LYS 48 14.205 -8.735 -2.762
448 H VAL 49 H VAL 49 10.206 -3.891 -6.713
449 HA VAL 49 HA VAL 49 8.362 -3.485 -4.611
450 HB VAL 49 HB VAL 49 9.374 -1.465 -6.621
451 HG11 VAL 49 1HG1 VAL 49 8.188 -1.092 -3.871
452 HG12 VAL 49 2HG1 VAL 49 7.440 -0.647 -5.404
453 HG13 VAL 49 3HG1 VAL 49 8.897 0.185 -4.860
454 HG21 VAL 49 3HG2 VAL 49 11.210 -2.611 -5.496
455 HG22 VAL 49 1HG2 VAL 49 10.493 -2.238 -3.928
456 HG23 VAL 49 2HG2 VAL 49 11.087 -0.935 -4.960
457 H LYS 50 H LYS 50 8.151 -3.019 -8.113
458 HA LYS 50 HA LYS 50 5.551 -1.976 -8.214
459 HB2 LYS 50 2HB LYS 50 7.014 -3.650 -10.264
460 HB3 LYS 50 1HB LYS 50 5.552 -2.725 -10.575
461 HG2 LYS 50 2HG LYS 50 6.728 -0.660 -10.086
462 HG3 LYS 50 1HG LYS 50 8.193 -1.568 -9.709
463 HD2 LYS 50 2HD LYS 50 8.365 -0.694 -11.953
464 HD3 LYS 50 1HD LYS 50 8.187 -2.448 -12.029
465 HE2 LYS 50 2HE LYS 50 5.798 -2.174 -12.507
466 HE3 LYS 50 1HE LYS 50 5.991 -0.423 -12.459
467 HZ1 LYS 50 3HZ LYS 50 6.013 -1.196 -14.721
468 HZ2 LYS 50 1HZ LYS 50 7.276 -2.282 -14.389
469 HZ3 LYS 50 2HZ LYS 50 7.553 -0.607 -14.323
470 H GLN 51 H GLN 51 6.726 -5.306 -8.245
471 HA GLN 51 HA GLN 51 4.345 -6.597 -8.924
472 HB2 GLN 51 2HB GLN 51 6.532 -7.720 -8.872
473 HB3 GLN 51 1HB GLN 51 6.556 -7.590 -7.119
474 HG2 GLN 51 2HG GLN 51 4.534 -8.998 -7.020
475 HG3 GLN 51 1HG GLN 51 4.607 -9.180 -8.773
476 HE21 GLN 51 1HE2 GLN 51 7.542 -9.252 -8.750
477 HE22 GLN 51 2HE2 GLN 51 7.963 -10.830 -8.178
478 H ALA 52 H ALA 52 5.636 -5.783 -5.707
479 HA ALA 52 HA ALA 52 3.514 -6.956 -4.255
480 HB1 ALA 52 3HB ALA 52 5.375 -4.737 -3.426
481 HB2 ALA 52 1HB ALA 52 5.681 -6.466 -3.249
482 HB3 ALA 52 2HB ALA 52 4.369 -5.706 -2.348
483 H ILE 53 H ILE 53 4.030 -3.731 -5.569
484 HA ILE 53 HA ILE 53 1.784 -2.485 -4.407
485 HB ILE 53 HB ILE 53 3.138 -1.887 -7.046
486 HG12 ILE 53 2HG1 ILE 53 3.446 -0.603 -4.321
487 HG13 ILE 53 1HG1 ILE 53 4.591 -1.727 -5.042
488 HG21 ILE 53 1HG2 ILE 53 2.089 0.326 -6.882
489 HG22 ILE 53 2HG2 ILE 53 1.220 -0.194 -5.438
490 HG23 ILE 53 3HG2 ILE 53 0.885 -0.955 -6.993
491 HD11 ILE 53 3HD1 ILE 53 5.017 -0.141 -6.841
492 HD12 ILE 53 1HD1 ILE 53 5.340 0.571 -5.260
493 HD13 ILE 53 2HD1 ILE 53 3.859 0.981 -6.127
494 H LEU 54 H LEU 54 2.215 -4.254 -7.455
495 HA LEU 54 HA LEU 54 -0.441 -3.965 -8.383
496 HG LEU 54 HG LEU 54 2.526 -4.123 -9.603
497 HB2 LEU 54 2HB LEU 54 1.487 -6.232 -8.920
498 HB3 LEU 54 1HB LEU 54 0.061 -5.846 -9.863
499 HD11 LEU 54 1HD1 LEU 54 2.939 -6.071 -10.964
500 HD12 LEU 54 2HD1 LEU 54 2.816 -4.643 -11.993
501 HD13 LEU 54 3HD1 LEU 54 1.468 -5.775 -11.889
502 HD21 LEU 54 3HD2 LEU 54 0.029 -3.716 -11.243
503 HD22 LEU 54 1HD2 LEU 54 1.490 -2.730 -11.325
504 HD23 LEU 54 2HD2 LEU 54 0.529 -2.761 -9.847
505 H GLU 55 H GLU 55 1.139 -6.343 -6.323
506 HA GLU 55 HA GLU 55 -1.010 -8.122 -6.003
507 HB2 GLU 55 2HB GLU 55 1.285 -8.639 -5.295
508 HB3 GLU 55 1HB GLU 55 1.189 -7.400 -4.051
509 HG2 GLU 55 2HG GLU 55 -0.551 -8.650 -2.911
510 HG3 GLU 55 1HG GLU 55 -0.519 -9.874 -4.181
511 H LEU 56 H LEU 56 -0.070 -5.224 -4.202
512 HA LEU 56 HA LEU 56 -2.176 -5.283 -2.331
513 HG LEU 56 HG LEU 56 0.786 -4.546 -2.077
514 HB2 LEU 56 2HB LEU 56 -0.557 -2.977 -3.407
515 HB3 LEU 56 1HB LEU 56 -1.699 -2.828 -2.085
516 HD11 LEU 56 1HD1 LEU 56 1.650 -2.961 -0.475
517 HD12 LEU 56 2HD1 LEU 56 0.159 -2.022 -0.556
518 HD13 LEU 56 3HD1 LEU 56 1.216 -2.118 -1.964
519 HD21 LEU 56 3HD2 LEU 56 -1.025 -5.518 -0.751
520 HD22 LEU 56 1HD2 LEU 56 -1.213 -3.990 0.110
521 HD23 LEU 56 2HD2 LEU 56 0.280 -4.917 0.275
522 H ASN 57 H ASN 57 -1.877 -3.707 -5.496
523 HA ASN 57 HA ASN 57 -4.323 -2.346 -5.492
524 HB2 ASN 57 2HB ASN 57 -2.579 -3.412 -7.689
525 HB3 ASN 57 1HB ASN 57 -4.150 -2.718 -8.075
526 HD21 ASN 57 1HD2 ASN 57 -2.137 -1.591 -5.445
527 HD22 ASN 57 2HD2 ASN 57 -1.755 -0.062 -6.150
528 H GLU 58 H GLU 58 -3.548 -5.656 -6.452
529 HA GLU 58 HA GLU 58 -6.066 -6.442 -7.396
530 HB2 GLU 58 2HB GLU 58 -3.941 -7.768 -7.548
531 HB3 GLU 58 1HB GLU 58 -4.107 -8.142 -5.841
532 HG2 GLU 58 2HG GLU 58 -6.359 -9.120 -6.403
533 HG3 GLU 58 1HG GLU 58 -5.894 -8.980 -8.099
534 H LEU 59 H LEU 59 -4.634 -6.694 -4.184
535 HA LEU 59 HA LEU 59 -6.822 -7.831 -2.861
536 HG LEU 59 HG LEU 59 -6.464 -6.435 -0.073
537 HB2 LEU 59 2HB LEU 59 -4.513 -7.727 -1.986
538 HB3 LEU 59 1HB LEU 59 -4.706 -6.005 -1.725
539 HD11 LEU 59 1HD1 LEU 59 -7.340 -8.516 -1.008
540 HD12 LEU 59 2HD1 LEU 59 -6.903 -8.715 0.689
541 HD13 LEU 59 3HD1 LEU 59 -5.846 -9.347 -0.574
542 HD21 LEU 59 3HD2 LEU 59 -3.918 -7.978 0.393
543 HD22 LEU 59 1HD2 LEU 59 -5.029 -7.426 1.646
544 HD23 LEU 59 2HD2 LEU 59 -4.157 -6.251 0.659
545 H ILE 60 H ILE 60 -5.963 -4.436 -3.419
546 HA ILE 60 HA ILE 60 -7.962 -3.231 -1.883
547 HB ILE 60 HB ILE 60 -6.732 -2.298 -4.481
548 HG12 ILE 60 2HG1 ILE 60 -6.166 -1.512 -1.613
549 HG13 ILE 60 1HG1 ILE 60 -5.170 -2.592 -2.580
550 HG21 ILE 60 1HG2 ILE 60 -8.871 -1.190 -4.156
551 HG22 ILE 60 2HG2 ILE 60 -7.549 -0.057 -3.879
552 HG23 ILE 60 3HG2 ILE 60 -8.415 -0.753 -2.510
553 HD11 ILE 60 3HD1 ILE 60 -4.688 -0.766 -4.124
554 HD12 ILE 60 1HD1 ILE 60 -4.217 -0.362 -2.472
555 HD13 ILE 60 2HD1 ILE 60 -5.695 0.313 -3.159
556 H GLU 61 H GLU 61 -8.045 -4.240 -5.304
557 HA GLU 61 HA GLU 61 -10.727 -3.518 -5.759
558 HB2 GLU 61 2HB GLU 61 -8.947 -5.544 -7.099
559 HB3 GLU 61 1HB GLU 61 -10.583 -5.209 -7.648
560 HG2 GLU 61 2HG GLU 61 -8.283 -3.276 -7.530
561 HG3 GLU 61 1HG GLU 61 -9.029 -3.959 -8.975
562 H ALA 62 H ALA 62 -9.277 -6.474 -4.512
563 HA ALA 62 HA ALA 62 -11.575 -8.081 -4.504
564 HB1 ALA 62 3HB ALA 62 -10.436 -9.396 -2.779
565 HB2 ALA 62 1HB ALA 62 -9.251 -8.106 -2.581
566 HB3 ALA 62 2HB ALA 62 -9.351 -8.986 -4.105
567 H GLN 63 H GLN 63 -10.319 -5.810 -2.100
568 HA GLN 63 HA GLN 63 -12.290 -6.286 -0.126
569 HB2 GLN 63 2HB GLN 63 -10.662 -3.790 -0.640
570 HB3 GLN 63 1HB GLN 63 -11.550 -4.142 0.835
571 HG2 GLN 63 2HG GLN 63 -9.312 -5.850 -0.213
572 HG3 GLN 63 1HG GLN 63 -9.088 -4.534 0.936
573 HE21 GLN 63 1HE2 GLN 63 -8.310 -5.893 2.509
574 HE22 GLN 63 2HE2 GLN 63 -9.317 -6.994 3.384
575 H ASN 64 H ASN 64 -12.208 -4.255 -2.967
576 HA ASN 64 HA ASN 64 -14.568 -2.767 -2.155
577 HB2 ASN 64 2HB ASN 64 -12.694 -2.584 -4.492
578 HB3 ASN 64 1HB ASN 64 -14.242 -1.742 -4.510
579 HD21 ASN 64 1HD2 ASN 64 -11.089 -1.924 -3.077
580 HD22 ASN 64 2HD2 ASN 64 -11.154 -0.394 -2.272
581 H HIS 65 H HIS 65 -14.028 -5.702 -3.627
582 HA HIS 65 HA HIS 65 -16.547 -5.540 -5.141
583 HD1 HIS 65 HD1 HIS 65 -16.663 -6.757 -8.073
584 HD2 HIS 65 HD2 HIS 65 -16.062 -9.854 -5.357
585 HE1 HIS 65 HE1 HIS 65 -18.072 -8.671 -8.900
586 HE2 HIS 65 HE2 HIS 65 -17.834 -10.471 -7.139
587 HB2 HIS 65 2HB HIS 65 -14.666 -6.380 -6.458
588 HB3 HIS 65 1HB HIS 65 -14.350 -7.624 -5.253
589 H GLN 66 H GLN 66 -14.815 -7.451 -2.746
590 HA GLN 66 HA GLN 66 -15.441 -8.962 -1.204
591 HB2 GLN 66 2HB GLN 66 -18.079 -7.504 -1.369
592 HB3 GLN 66 1HB GLN 66 -17.693 -8.719 -0.159
593 HG2 GLN 66 2HG GLN 66 -15.706 -7.227 0.436
594 HG3 GLN 66 1HG GLN 66 -16.529 -5.982 -0.507
595 HE21 GLN 66 1HE2 GLN 66 -18.180 -8.425 1.365
596 HE22 GLN 66 2HE2 GLN 66 -18.811 -7.367 2.571
597 H THR 67 H THR 67 -15.169 -10.723 -2.602
598 HA THR 67 HA THR 67 -17.503 -11.885 -3.853
599 HB THR 67 HB THR 67 -14.894 -13.310 -3.306
600 HG1 THR 67 HG1 THR 67 -14.114 -11.636 -4.428
601 HG21 THR 67 3HG2 THR 67 -15.460 -14.510 -5.373
602 HG22 THR 67 1HG2 THR 67 -16.941 -13.565 -5.515
603 HG23 THR 67 2HG2 THR 67 -16.735 -14.682 -4.164
604 H LYS 68 H LYS 68 -16.380 -11.555 -0.782
605 HA LYS 68 HA LYS 68 -17.046 -14.100 0.338
606 HB2 LYS 68 2HB LYS 68 -16.503 -11.390 1.575
607 HB3 LYS 68 1HB LYS 68 -16.836 -12.830 2.515
608 HG2 LYS 68 2HG LYS 68 -14.463 -12.439 2.467
609 HG3 LYS 68 1HG LYS 68 -14.830 -13.901 1.551
610 HD2 LYS 68 2HD LYS 68 -14.639 -12.663 -0.536
611 HD3 LYS 68 1HD LYS 68 -14.350 -11.169 0.355
612 HE2 LYS 68 2HE LYS 68 -12.575 -13.593 0.548
613 HE3 LYS 68 1HE LYS 68 -12.305 -12.283 -0.599
614 HZ1 LYS 68 3HZ LYS 68 -12.321 -10.777 1.422
615 HZ2 LYS 68 1HZ LYS 68 -10.971 -11.789 1.233
616 HZ3 LYS 68 2HZ LYS 68 -12.176 -12.188 2.357
617 H THR 69 H THR 69 -18.935 -14.759 1.144
618 HA THR 69 HA THR 69 -21.158 -14.964 1.396
619 HB THR 69 HB THR 69 -22.389 -13.164 2.574
620 HG1 THR 69 HG1 THR 69 -20.334 -11.639 1.690
621 HG21 THR 69 3HG2 THR 69 -21.130 -14.843 3.803
622 HG22 THR 69 1HG2 THR 69 -21.092 -13.289 4.638
623 HG23 THR 69 2HG2 THR 69 -19.685 -13.835 3.722
624 H ALA 70 H ALA 70 -23.390 -13.565 1.024
625 HA ALA 70 HA ALA 70 -23.209 -12.822 -1.824
626 HB1 ALA 70 3HB ALA 70 -24.411 -14.928 -1.398
627 HB2 ALA 70 1HB ALA 70 -25.453 -13.690 -2.100
628 HB3 ALA 70 2HB ALA 70 -25.551 -14.052 -0.377
629 H LEU 71 H LEU 71 -23.570 -11.514 1.128
630 HA LEU 71 HA LEU 71 -24.315 -9.533 1.950
631 HG LEU 71 HG LEU 71 -22.319 -9.515 -0.606
632 HB2 LEU 71 2HB LEU 71 -24.624 -8.756 -0.950
633 HB3 LEU 71 1HB LEU 71 -24.478 -7.667 0.415
634 HD11 LEU 71 1HD1 LEU 71 -22.741 -7.612 -2.081
635 HD12 LEU 71 2HD1 LEU 71 -21.184 -7.465 -1.267
636 HD13 LEU 71 3HD1 LEU 71 -22.561 -6.512 -0.713
637 HD21 LEU 71 3HD2 LEU 71 -22.254 -7.478 1.615
638 HD22 LEU 71 1HD2 LEU 71 -20.868 -8.381 1.001
639 HD23 LEU 71 2HD2 LEU 71 -22.185 -9.230 1.811
640 H GLU 72 H GLU 72 -26.208 -11.166 2.353
641 HA GLU 72 HA GLU 72 -28.615 -10.456 0.852
642 HB2 GLU 72 2HB GLU 72 -28.131 -12.716 2.800
643 HB3 GLU 72 1HB GLU 72 -29.598 -12.467 1.862
644 HG2 GLU 72 2HG GLU 72 -28.324 -12.769 -0.202
645 HG3 GLU 72 1HG GLU 72 -26.863 -13.048 0.746
646 H HIS 73 H HIS 73 -27.557 -8.617 2.879
647 HA HIS 73 HA HIS 73 -30.015 -8.506 4.459
648 HD1 HIS 73 HD1 HIS 73 -26.550 -10.586 6.112
649 HD2 HIS 73 HD2 HIS 73 -30.631 -10.031 6.725
650 HE1 HIS 73 HE1 HIS 73 -27.407 -12.773 7.006
651 HE2 HIS 73 HE2 HIS 73 -29.901 -12.475 7.182
652 HB2 HIS 73 2HB HIS 73 -27.249 -8.259 5.638
653 HB3 HIS 73 1HB HIS 73 -28.709 -7.738 6.469
654 H HIS 74 H HIS 74 -27.309 -6.333 5.065
655 HA HIS 74 HA HIS 74 -28.754 -4.298 3.504
656 HD1 HIS 74 HD1 HIS 74 -26.571 -1.768 6.440
657 HD2 HIS 74 HD2 HIS 74 -27.618 -5.610 7.656
658 HE1 HIS 74 HE1 HIS 74 -25.104 -2.282 8.426
659 HE2 HIS 74 HE2 HIS 74 -25.881 -4.537 9.248
660 HB2 HIS 74 2HB HIS 74 -28.569 -2.646 5.237
661 HB3 HIS 74 1HB HIS 74 -29.355 -4.069 5.902
Start of MODEL 18
1 HA MET 1 HA MET 1 2.503 8.654 6.745
2 H1 MET 1 1H MET 1 2.608 10.994 7.427
3 H2 MET 1 2H MET 1 3.302 10.519 8.902
4 H3 MET 1 3H MET 1 1.734 10.020 8.504
5 HB2 MET 1 2HB MET 1 4.849 8.423 6.202
6 HB3 MET 1 1HB MET 1 4.403 10.120 6.077
7 HG2 MET 1 2HG MET 1 5.436 10.579 8.209
8 HG3 MET 1 1HG MET 1 5.813 8.870 8.423
9 HE1 MET 1 3HE MET 1 8.056 11.062 8.731
10 HE2 MET 1 1HE MET 1 9.368 10.330 7.810
11 HE3 MET 1 2HE MET 1 8.357 9.329 8.849
12 H ARG 2 H ARG 2 3.568 6.515 7.080
13 HA ARG 2 HA ARG 2 4.154 5.947 9.899
14 HE ARG 2 HE ARG 2 0.397 5.686 12.446
15 HB2 ARG 2 2HB ARG 2 2.017 4.684 8.225
16 HB3 ARG 2 1HB ARG 2 2.822 3.734 9.465
17 HG2 ARG 2 2HG ARG 2 1.335 6.316 9.913
18 HG3 ARG 2 1HG ARG 2 0.736 4.695 10.275
19 HD2 ARG 2 2HD ARG 2 2.668 4.393 11.815
20 HD3 ARG 2 1HD ARG 2 3.104 6.076 11.527
21 HH11 ARG 2 1HH1 ARG 2 3.735 6.220 13.400
22 HH12 ARG 2 2HH1 ARG 2 3.318 6.822 14.972
23 HH21 ARG 2 1HH2 ARG 2 -0.138 6.476 14.534
24 HH22 ARG 2 2HH2 ARG 2 1.132 6.981 15.604
25 H VAL 3 H VAL 3 5.595 4.295 10.255
26 HA VAL 3 HA VAL 3 6.936 3.236 7.862
27 HB VAL 3 HB VAL 3 7.994 3.434 10.690
28 HG11 VAL 3 1HG1 VAL 3 9.350 2.644 8.114
29 HG12 VAL 3 2HG1 VAL 3 9.039 1.610 9.509
30 HG13 VAL 3 3HG1 VAL 3 10.185 2.946 9.639
31 HG21 VAL 3 3HG2 VAL 3 9.421 5.236 9.848
32 HG22 VAL 3 1HG2 VAL 3 7.709 5.643 9.717
33 HG23 VAL 3 2HG2 VAL 3 8.610 5.142 8.285
34 H PHE 4 H PHE 4 6.975 1.081 7.513
35 HA PHE 4 HA PHE 4 5.858 -0.644 9.622
36 HD1 PHE 4 HD2 PHE 4 3.995 1.382 7.649
37 HD2 PHE 4 HD1 PHE 4 3.239 -2.712 8.525
38 HE1 PHE 4 HE2 PHE 4 1.692 1.950 8.296
39 HE2 PHE 4 HE1 PHE 4 0.933 -2.155 9.182
40 HZ PHE 4 HZ PHE 4 0.159 0.185 9.071
41 HB2 PHE 4 2HB PHE 4 5.363 -0.602 6.673
42 HB3 PHE 4 1HB PHE 4 5.242 -2.124 7.546
43 HA PRO 5 HA PRO 5 9.876 -2.633 9.045
44 HB2 PRO 5 2HB PRO 5 9.328 -3.826 11.635
45 HB3 PRO 5 1HB PRO 5 10.601 -2.689 11.193
46 HG2 PRO 5 2HG PRO 5 8.525 -2.042 12.828
47 HG3 PRO 5 1HG PRO 5 9.361 -0.861 11.803
48 HD2 PRO 5 2HD PRO 5 6.745 -2.253 11.349
49 HD3 PRO 5 1HD PRO 5 7.193 -0.561 11.037
50 H VAL 6 H VAL 6 6.707 -3.649 9.303
51 HA VAL 6 HA VAL 6 7.420 -6.413 8.614
52 HB VAL 6 HB VAL 6 6.477 -6.429 10.858
53 HG11 VAL 6 1HG1 VAL 6 4.095 -5.020 9.661
54 HG12 VAL 6 2HG1 VAL 6 5.247 -4.338 10.811
55 HG13 VAL 6 3HG1 VAL 6 4.188 -5.662 11.301
56 HG21 VAL 6 3HG2 VAL 6 5.921 -8.292 9.394
57 HG22 VAL 6 1HG2 VAL 6 4.485 -7.433 8.833
58 HG23 VAL 6 2HG2 VAL 6 4.599 -7.954 10.514
59 H TYR 7 H TYR 7 6.500 -7.165 6.775
60 HA TYR 7 HA TYR 7 4.724 -5.359 5.336
61 HD1 TYR 7 HD2 TYR 7 5.728 -4.742 2.582
62 HD2 TYR 7 HD1 TYR 7 4.157 -8.667 3.032
63 HE1 TYR 7 HE2 TYR 7 4.505 -4.489 0.465
64 HE2 TYR 7 HE1 TYR 7 2.928 -8.424 0.923
65 HH TYR 7 HH TYR 7 3.499 -5.852 -1.256
66 HB2 TYR 7 2HB TYR 7 6.706 -6.317 4.177
67 HB3 TYR 7 1HB TYR 7 6.023 -7.924 4.386
68 H ALA 8 H ALA 8 2.744 -5.585 6.193
69 HA ALA 8 HA ALA 8 1.553 -8.276 6.129
70 HB1 ALA 8 3HB ALA 8 1.702 -7.293 8.387
71 HB2 ALA 8 1HB ALA 8 0.034 -7.562 7.872
72 HB3 ALA 8 2HB ALA 8 0.715 -5.937 7.838
73 HA PRO 9 HA PRO 9 -0.128 -6.270 2.409
74 HB2 PRO 9 2HB PRO 9 -1.804 -8.519 2.007
75 HB3 PRO 9 1HB PRO 9 -0.277 -8.168 1.212
76 HG2 PRO 9 2HG PRO 9 -0.844 -9.949 3.505
77 HG3 PRO 9 1HG PRO 9 0.422 -10.069 2.272
78 HD2 PRO 9 2HD PRO 9 0.972 -9.312 4.785
79 HD3 PRO 9 1HD PRO 9 1.827 -8.609 3.396
80 H LYS 10 H LYS 10 -2.393 -8.331 4.167
81 HA LYS 10 HA LYS 10 -4.718 -6.945 3.613
82 HB2 LYS 10 2HB LYS 10 -4.161 -8.420 6.189
83 HB3 LYS 10 1HB LYS 10 -5.729 -8.135 5.449
84 HG2 LYS 10 2HG LYS 10 -3.560 -9.789 4.182
85 HG3 LYS 10 1HG LYS 10 -4.843 -10.450 5.190
86 HD2 LYS 10 2HD LYS 10 -5.266 -8.894 2.641
87 HD3 LYS 10 1HD LYS 10 -5.325 -10.652 2.777
88 HE2 LYS 10 2HE LYS 10 -7.112 -10.187 4.608
89 HE3 LYS 10 1HE LYS 10 -7.218 -8.598 3.853
90 HZ1 LYS 10 3HZ LYS 10 -7.571 -9.863 1.702
91 HZ2 LYS 10 1HZ LYS 10 -8.846 -9.905 2.821
92 HZ3 LYS 10 2HZ LYS 10 -7.816 -11.236 2.660
93 H LEU 11 H LEU 11 -2.509 -6.524 6.356
94 HA LEU 11 HA LEU 11 -4.142 -4.676 7.754
95 HG LEU 11 HG LEU 11 -3.340 -4.334 10.020
96 HB2 LEU 11 2HB LEU 11 -2.175 -6.131 8.599
97 HB3 LEU 11 1HB LEU 11 -1.151 -4.841 8.010
98 HD11 LEU 11 1HD1 LEU 11 -1.851 -6.054 10.912
99 HD12 LEU 11 2HD1 LEU 11 -1.650 -4.523 11.761
100 HD13 LEU 11 3HD1 LEU 11 -0.458 -5.030 10.565
101 HD21 LEU 11 3HD2 LEU 11 -0.796 -2.856 9.342
102 HD22 LEU 11 1HD2 LEU 11 -1.966 -2.388 10.575
103 HD23 LEU 11 2HD2 LEU 11 -2.427 -2.374 8.873
104 H ILE 12 H ILE 12 -1.336 -4.271 5.610
105 HA ILE 12 HA ILE 12 -1.044 -1.509 5.886
106 HB ILE 12 HB ILE 12 -0.405 -3.296 3.538
107 HG12 ILE 12 2HG1 ILE 12 1.343 -2.101 5.705
108 HG13 ILE 12 1HG1 ILE 12 0.821 -3.778 5.624
109 HG21 ILE 12 1HG2 ILE 12 -0.663 -1.030 2.724
110 HG22 ILE 12 2HG2 ILE 12 1.044 -1.475 2.732
111 HG23 ILE 12 3HG2 ILE 12 0.400 -0.427 3.995
112 HD11 ILE 12 3HD1 ILE 12 2.078 -4.084 3.567
113 HD12 ILE 12 1HD1 ILE 12 3.115 -3.511 4.872
114 HD13 ILE 12 2HD1 ILE 12 2.581 -2.395 3.616
115 H VAL 13 H VAL 13 -2.817 -3.329 3.396
116 HA VAL 13 HA VAL 13 -3.789 -1.041 2.056
117 HB VAL 13 HB VAL 13 -4.869 -3.861 2.056
118 HG11 VAL 13 1HG1 VAL 13 -5.902 -3.243 -0.092
119 HG12 VAL 13 2HG1 VAL 13 -5.394 -1.574 0.160
120 HG13 VAL 13 3HG1 VAL 13 -6.559 -2.317 1.257
121 HG21 VAL 13 3HG2 VAL 13 -2.982 -2.462 0.167
122 HG22 VAL 13 1HG2 VAL 13 -3.611 -4.098 -0.028
123 HG23 VAL 13 2HG2 VAL 13 -2.547 -3.718 1.328
124 H LYS 14 H LYS 14 -5.122 -3.023 4.655
125 HA LYS 14 HA LYS 14 -7.706 -1.944 4.736
126 HB2 LYS 14 2HB LYS 14 -7.145 -3.910 6.032
127 HB3 LYS 14 1HB LYS 14 -5.959 -3.008 6.964
128 HG2 LYS 14 2HG LYS 14 -7.802 -1.608 7.859
129 HG3 LYS 14 1HG LYS 14 -8.949 -2.652 7.021
130 HD2 LYS 14 2HD LYS 14 -8.234 -4.556 8.317
131 HD3 LYS 14 1HD LYS 14 -6.950 -3.606 9.067
132 HE2 LYS 14 2HE LYS 14 -8.651 -2.146 10.086
133 HE3 LYS 14 1HE LYS 14 -9.917 -3.138 9.366
134 HZ1 LYS 14 3HZ LYS 14 -9.424 -3.660 11.724
135 HZ2 LYS 14 1HZ LYS 14 -7.880 -4.174 11.260
136 HZ3 LYS 14 2HZ LYS 14 -9.251 -4.992 10.689
137 H HIS 15 H HIS 15 -4.722 -0.920 6.335
138 HA HIS 15 HA HIS 15 -5.984 1.269 7.693
139 HD1 HIS 15 HD1 HIS 15 -5.335 1.557 10.215
140 HD2 HIS 15 HD2 HIS 15 -1.976 3.152 8.344
141 HE1 HIS 15 HE1 HIS 15 -4.607 3.485 11.655
142 HE2 HIS 15 HE2 HIS 15 -2.450 4.285 10.628
143 HB2 HIS 15 2HB HIS 15 -3.923 -0.050 8.437
144 HB3 HIS 15 1HB HIS 15 -3.023 0.899 7.261
145 H ALA 16 H ALA 16 -4.165 0.844 4.725
146 HA ALA 16 HA ALA 16 -3.719 3.604 4.211
147 HB1 ALA 16 3HB ALA 16 -3.776 1.292 2.275
148 HB2 ALA 16 1HB ALA 16 -2.361 1.870 3.157
149 HB3 ALA 16 2HB ALA 16 -3.130 2.900 1.948
150 H ARG 17 H ARG 17 -6.424 1.494 3.723
151 HA ARG 17 HA ARG 17 -7.700 2.925 1.651
152 HE ARG 17 HE ARG 17 -11.067 0.653 3.989
153 HB2 ARG 17 2HB ARG 17 -8.189 0.560 2.488
154 HB3 ARG 17 1HB ARG 17 -9.110 1.314 3.779
155 HG2 ARG 17 2HG ARG 17 -9.739 2.037 0.959
156 HG3 ARG 17 1HG ARG 17 -10.269 0.474 1.578
157 HD2 ARG 17 2HD ARG 17 -10.911 3.172 2.765
158 HD3 ARG 17 1HD ARG 17 -12.010 2.160 1.830
159 HH11 ARG 17 1HH1 ARG 17 -13.160 3.389 3.345
160 HH12 ARG 17 2HH1 ARG 17 -14.064 3.204 4.820
161 HH21 ARG 17 1HH2 ARG 17 -12.258 0.394 5.901
162 HH22 ARG 17 2HH2 ARG 17 -13.545 1.499 6.289
163 H ILE 18 H ILE 18 -7.400 3.507 5.035
164 HA ILE 18 HA ILE 18 -9.505 5.547 4.993
165 HB ILE 18 HB ILE 18 -7.812 4.624 7.325
166 HG12 ILE 18 2HG1 ILE 18 -10.642 3.826 6.597
167 HG13 ILE 18 1HG1 ILE 18 -9.223 2.808 6.376
168 HG21 ILE 18 1HG2 ILE 18 -9.555 5.687 8.692
169 HG22 ILE 18 2HG2 ILE 18 -10.345 6.259 7.224
170 HG23 ILE 18 3HG2 ILE 18 -8.736 6.846 7.644
171 HD11 ILE 18 3HD1 ILE 18 -10.441 2.170 8.364
172 HD12 ILE 18 1HD1 ILE 18 -10.297 3.808 9.004
173 HD13 ILE 18 2HD1 ILE 18 -8.856 2.812 8.796
174 H PHE 19 H PHE 19 -6.058 5.117 5.303
175 HA PHE 19 HA PHE 19 -5.578 7.960 5.731
176 HD1 PHE 19 HD1 PHE 19 -5.783 5.255 7.725
177 HD2 PHE 19 HD2 PHE 19 -2.740 8.228 7.817
178 HE1 PHE 19 HE1 PHE 19 -6.143 5.541 10.142
179 HE2 PHE 19 HE2 PHE 19 -3.099 8.521 10.233
180 HZ PHE 19 HZ PHE 19 -4.799 7.176 11.399
181 HB2 PHE 19 2HB PHE 19 -3.860 5.503 5.934
182 HB3 PHE 19 1HB PHE 19 -3.132 7.106 5.857
183 H LEU 20 H LEU 20 -6.393 6.439 3.214
184 HA LEU 20 HA LEU 20 -4.862 6.062 1.178
185 HG LEU 20 HG LEU 20 -7.815 7.813 2.402
186 HB2 LEU 20 2HB LEU 20 -6.603 7.184 -0.283
187 HB3 LEU 20 1HB LEU 20 -7.120 5.920 0.809
188 HD11 LEU 20 1HD1 LEU 20 -6.627 9.634 1.312
189 HD12 LEU 20 2HD1 LEU 20 -8.364 9.940 1.328
190 HD13 LEU 20 3HD1 LEU 20 -7.579 9.394 -0.153
191 HD21 LEU 20 3HD2 LEU 20 -9.961 8.087 1.249
192 HD22 LEU 20 1HD2 LEU 20 -9.401 6.416 1.201
193 HD23 LEU 20 2HD2 LEU 20 -9.245 7.438 -0.226
194 H THR 21 H THR 21 -4.929 9.331 2.454
195 HA THR 21 HA THR 21 -3.150 10.049 0.225
196 HB THR 21 HB THR 21 -4.974 11.577 0.227
197 HG1 THR 21 HG1 THR 21 -3.805 13.574 0.983
198 HG21 THR 21 3HG2 THR 21 -5.840 11.199 2.468
199 HG22 THR 21 1HG2 THR 21 -5.604 12.923 2.187
200 HG23 THR 21 2HG2 THR 21 -4.445 12.023 3.165
201 H GLY 22 H GLY 22 -1.162 9.448 0.893
202 HA2 GLY 22 2HA GLY 22 0.307 10.952 2.687
203 HA3 GLY 22 1HA GLY 22 -0.316 9.598 3.615
204 H VAL 23 H VAL 23 2.029 9.220 3.879
205 HA VAL 23 HA VAL 23 3.067 7.572 1.663
206 HB VAL 23 HB VAL 23 4.762 9.233 3.544
207 HG11 VAL 23 1HG1 VAL 23 5.482 7.689 1.058
208 HG12 VAL 23 2HG1 VAL 23 5.878 7.239 2.717
209 HG13 VAL 23 3HG1 VAL 23 6.584 8.690 2.002
210 HG21 VAL 23 3HG2 VAL 23 5.215 10.694 1.634
211 HG22 VAL 23 1HG2 VAL 23 3.504 10.703 2.062
212 HG23 VAL 23 2HG2 VAL 23 4.059 9.784 0.663
213 H ILE 24 H ILE 24 3.921 5.594 2.243
214 HA ILE 24 HA ILE 24 4.065 5.003 5.126
215 HB ILE 24 HB ILE 24 2.074 3.928 4.239
216 HG12 ILE 24 2HG1 ILE 24 4.312 1.959 4.731
217 HG13 ILE 24 1HG1 ILE 24 3.312 2.726 5.960
218 HG21 ILE 24 1HG2 ILE 24 2.635 3.785 1.899
219 HG22 ILE 24 2HG2 ILE 24 2.224 2.181 2.511
220 HG23 ILE 24 3HG2 ILE 24 3.911 2.617 2.245
221 HD11 ILE 24 3HD1 ILE 24 2.376 0.791 3.855
222 HD12 ILE 24 1HD1 ILE 24 1.345 1.583 5.047
223 HD13 ILE 24 2HD1 ILE 24 2.595 0.454 5.573
224 H TRP 25 H TRP 25 5.961 4.170 5.786
225 HA TRP 25 HA TRP 25 7.942 3.616 3.702
226 HD1 TRP 25 HD1 TRP 25 6.736 6.375 4.944
227 HE1 TRP 25 HE1 TRP 25 7.790 8.600 4.172
228 HE3 TRP 25 HE3 TRP 25 11.664 5.073 5.233
229 HZ2 TRP 25 HZ2 TRP 25 10.377 9.652 3.737
230 HZ3 TRP 25 HZ3 TRP 25 13.368 6.741 4.624
231 HH2 TRP 25 HH2 TRP 25 12.737 8.980 3.892
232 HB2 TRP 25 2HB TRP 25 8.263 4.363 6.606
233 HB3 TRP 25 1HB TRP 25 9.606 3.857 5.585
234 H VAL 26 H VAL 26 7.290 1.535 3.248
235 HA VAL 26 HA VAL 26 7.440 -0.521 5.277
236 HB VAL 26 HB VAL 26 7.578 -1.022 2.311
237 HG11 VAL 26 1HG1 VAL 26 6.453 -3.102 2.882
238 HG12 VAL 26 2HG1 VAL 26 6.402 -2.620 4.577
239 HG13 VAL 26 3HG1 VAL 26 7.953 -2.922 3.793
240 HG21 VAL 26 3HG2 VAL 26 5.084 -0.514 3.932
241 HG22 VAL 26 1HG2 VAL 26 5.118 -1.120 2.275
242 HG23 VAL 26 2HG2 VAL 26 5.713 0.501 2.633
243 H LYS 27 H LYS 27 9.148 -2.102 5.390
244 HA LYS 27 HA LYS 27 11.657 -0.768 5.208
245 HB2 LYS 27 2HB LYS 27 10.616 -2.858 6.727
246 HB3 LYS 27 1HB LYS 27 11.902 -3.595 5.778
247 HG2 LYS 27 2HG LYS 27 12.859 -2.860 7.819
248 HG3 LYS 27 1HG LYS 27 13.409 -1.752 6.560
249 HD2 LYS 27 2HD LYS 27 11.305 -0.371 7.279
250 HD3 LYS 27 1HD LYS 27 11.450 -1.304 8.769
251 HE2 LYS 27 2HE LYS 27 13.491 0.536 7.539
252 HE3 LYS 27 1HE LYS 27 12.633 0.747 9.064
253 HZ1 LYS 27 3HZ LYS 27 13.777 -1.288 9.870
254 HZ2 LYS 27 1HZ LYS 27 14.834 -0.005 9.528
255 HZ3 LYS 27 2HZ LYS 27 14.699 -1.295 8.444
256 H ASP 28 H ASP 28 10.205 -3.459 3.448
257 HA ASP 28 HA ASP 28 12.608 -4.154 2.071
258 HB2 ASP 28 2HB ASP 28 10.703 -5.718 2.506
259 HB3 ASP 28 1HB ASP 28 9.776 -4.852 1.284
260 H LEU 29 H LEU 29 9.708 -2.342 1.137
261 HA LEU 29 HA LEU 29 10.805 -1.881 -1.518
262 HG LEU 29 HG LEU 29 8.229 -3.458 -0.550
263 HB2 LEU 29 2HB LEU 29 8.170 -1.022 -0.320
264 HB3 LEU 29 1HB LEU 29 8.634 -0.843 -2.001
265 HD11 LEU 29 1HD1 LEU 29 6.320 -3.701 -2.086
266 HD12 LEU 29 2HD1 LEU 29 6.600 -2.055 -2.659
267 HD13 LEU 29 3HD1 LEU 29 6.137 -2.339 -0.981
268 HD21 LEU 29 3HD2 LEU 29 8.925 -2.907 -3.432
269 HD22 LEU 29 1HD2 LEU 29 8.503 -4.482 -2.761
270 HD23 LEU 29 2HD2 LEU 29 9.972 -3.662 -2.229
271 H GLY 30 H GLY 30 10.296 -0.170 1.470
272 HA2 GLY 30 2HA GLY 30 11.536 1.800 1.991
273 HA3 GLY 30 1HA GLY 30 11.577 2.184 0.274
274 H ARG 31 H ARG 31 10.808 4.279 0.745
275 HA ARG 31 HA ARG 31 8.292 4.716 2.017
276 HE ARG 31 HE ARG 31 12.372 7.423 -1.281
277 HB2 ARG 31 2HB ARG 31 8.534 7.035 1.102
278 HB3 ARG 31 1HB ARG 31 9.907 6.487 2.056
279 HG2 ARG 31 2HG ARG 31 11.071 5.919 -0.051
280 HG3 ARG 31 1HG ARG 31 9.728 6.631 -0.941
281 HD2 ARG 31 2HD ARG 31 10.164 8.789 -0.036
282 HD3 ARG 31 1HD ARG 31 11.337 8.137 1.112
283 HH11 ARG 31 1HH1 ARG 31 11.157 10.477 -0.074
284 HH12 ARG 31 2HH1 ARG 31 12.306 11.438 -0.961
285 HH21 ARG 31 1HH2 ARG 31 13.906 8.666 -2.429
286 HH22 ARG 31 2HH2 ARG 31 13.896 10.401 -2.284
287 H LEU 32 H LEU 32 6.383 4.338 1.206
288 HA LEU 32 HA LEU 32 6.032 4.401 -1.719
289 HG LEU 32 HG LEU 32 6.649 1.762 -0.112
290 HB2 LEU 32 2HB LEU 32 4.481 2.833 0.348
291 HB3 LEU 32 1HB LEU 32 4.131 2.860 -1.369
292 HD11 LEU 32 1HD1 LEU 32 4.299 0.362 -1.378
293 HD12 LEU 32 2HD1 LEU 32 4.697 0.378 0.340
294 HD13 LEU 32 3HD1 LEU 32 5.779 -0.411 -0.808
295 HD21 LEU 32 3HD2 LEU 32 7.161 0.938 -2.354
296 HD22 LEU 32 1HD2 LEU 32 7.051 2.700 -2.332
297 HD23 LEU 32 2HD2 LEU 32 5.722 1.741 -2.982
298 H GLU 33 H GLU 33 5.020 6.191 -2.321
299 HA GLU 33 HA GLU 33 3.205 7.502 -0.456
300 HB2 GLU 33 2HB GLU 33 4.908 8.877 -1.583
301 HB3 GLU 33 1HB GLU 33 4.226 8.438 -3.142
302 HG2 GLU 33 2HG GLU 33 2.211 9.609 -2.677
303 HG3 GLU 33 1HG GLU 33 2.681 9.868 -0.999
304 H PHE 34 H PHE 34 1.072 7.785 -0.826
305 HA PHE 34 HA PHE 34 -0.096 6.622 -3.230
306 HD1 PHE 34 HD2 PHE 34 1.317 4.940 0.181
307 HD2 PHE 34 HD1 PHE 34 -2.708 6.310 0.190
308 HE1 PHE 34 HE2 PHE 34 1.364 5.052 2.633
309 HE2 PHE 34 HE1 PHE 34 -2.665 6.421 2.648
310 HZ PHE 34 HZ PHE 34 -0.629 5.791 3.872
311 HB2 PHE 34 2HB PHE 34 -1.742 5.352 -1.787
312 HB3 PHE 34 1HB PHE 34 -0.097 4.723 -1.788
313 H GLU 35 H GLU 35 -2.118 7.380 -3.733
314 HA GLU 35 HA GLU 35 -3.438 9.223 -1.905
315 HB2 GLU 35 2HB GLU 35 -1.967 10.643 -3.291
316 HB3 GLU 35 1HB GLU 35 -2.691 9.969 -4.745
317 HG2 GLU 35 2HG GLU 35 -4.815 10.947 -4.207
318 HG3 GLU 35 1HG GLU 35 -4.206 11.502 -2.649
319 H LYS 36 H LYS 36 -5.676 9.334 -2.252
320 HA LYS 36 HA LYS 36 -7.731 8.589 -2.900
321 HB2 LYS 36 2HB LYS 36 -6.303 7.799 -5.454
322 HB3 LYS 36 1HB LYS 36 -8.048 7.883 -5.240
323 HG2 LYS 36 2HG LYS 36 -8.092 10.144 -5.364
324 HG3 LYS 36 1HG LYS 36 -6.495 10.332 -4.636
325 HD2 LYS 36 2HD LYS 36 -5.419 9.702 -6.688
326 HD3 LYS 36 1HD LYS 36 -6.962 9.268 -7.423
327 HE2 LYS 36 2HE LYS 36 -6.108 11.445 -8.201
328 HE3 LYS 36 1HE LYS 36 -7.670 11.571 -7.399
329 HZ1 LYS 36 3HZ LYS 36 -5.048 12.177 -6.137
330 HZ2 LYS 36 1HZ LYS 36 -6.572 12.353 -5.412
331 HZ3 LYS 36 2HZ LYS 36 -6.139 13.329 -6.729
332 H GLY 37 H GLY 37 -5.513 6.800 -1.759
333 HA2 GLY 37 2HA GLY 37 -5.501 4.634 -0.941
334 HA3 GLY 37 1HA GLY 37 -6.981 4.318 -1.835
335 H ARG 38 H ARG 38 -4.758 5.705 -3.867
336 HA ARG 38 HA ARG 38 -3.880 3.068 -4.861
337 HE ARG 38 HE ARG 38 -7.577 2.704 -8.617
338 HB2 ARG 38 2HB ARG 38 -4.662 5.568 -6.378
339 HB3 ARG 38 1HB ARG 38 -3.836 4.206 -7.123
340 HG2 ARG 38 2HG ARG 38 -5.681 2.757 -6.702
341 HG3 ARG 38 1HG ARG 38 -6.476 3.972 -5.700
342 HD2 ARG 38 2HD ARG 38 -6.878 5.372 -7.601
343 HD3 ARG 38 1HD ARG 38 -5.876 4.348 -8.629
344 HH11 ARG 38 1HH1 ARG 38 -8.534 5.671 -7.000
345 HH12 ARG 38 2HH1 ARG 38 -10.223 5.276 -7.029
346 HH21 ARG 38 1HH2 ARG 38 -9.794 2.217 -8.687
347 HH22 ARG 38 2HH2 ARG 38 -10.943 3.336 -8.002
348 H PHE 39 H PHE 39 -1.988 2.747 -4.395
349 HA PHE 39 HA PHE 39 0.090 4.434 -3.785
350 HD1 PHE 39 HD2 PHE 39 2.155 2.859 -2.311
351 HD2 PHE 39 HD1 PHE 39 -1.558 0.962 -3.151
352 HE1 PHE 39 HE2 PHE 39 1.993 2.140 0.038
353 HE2 PHE 39 HE1 PHE 39 -1.730 0.239 -0.806
354 HZ PHE 39 HZ PHE 39 0.046 0.826 0.793
355 HB2 PHE 39 2HB PHE 39 -0.155 1.681 -4.914
356 HB3 PHE 39 1HB PHE 39 1.445 2.375 -4.621
357 H LEU 40 H LEU 40 1.513 5.622 -4.950
358 HA LEU 40 HA LEU 40 0.912 6.085 -7.724
359 HG LEU 40 HG LEU 40 0.920 7.899 -5.123
360 HB2 LEU 40 2HB LEU 40 3.110 7.223 -5.987
361 HB3 LEU 40 1HB LEU 40 2.669 7.802 -7.582
362 HD11 LEU 40 1HD1 LEU 40 2.766 9.485 -5.049
363 HD12 LEU 40 2HD1 LEU 40 1.230 10.315 -5.284
364 HD13 LEU 40 3HD1 LEU 40 2.326 10.088 -6.647
365 HD21 LEU 40 3HD2 LEU 40 -0.395 7.567 -7.146
366 HD22 LEU 40 1HD2 LEU 40 0.425 8.926 -7.916
367 HD23 LEU 40 2HD2 LEU 40 -0.613 9.201 -6.518
368 H LEU 41 H LEU 41 1.566 4.657 -9.171
369 HA LEU 41 HA LEU 41 3.960 3.091 -8.837
370 HG LEU 41 HG LEU 41 4.331 1.946 -11.484
371 HB2 LEU 41 2HB LEU 41 1.790 2.301 -9.898
372 HB3 LEU 41 1HB LEU 41 2.207 3.287 -11.286
373 HD11 LEU 41 1HD1 LEU 41 4.393 1.108 -9.192
374 HD12 LEU 41 2HD1 LEU 41 4.418 -0.213 -10.360
375 HD13 LEU 41 3HD1 LEU 41 2.932 0.168 -9.492
376 HD21 LEU 41 3HD2 LEU 41 1.730 0.435 -11.720
377 HD22 LEU 41 1HD2 LEU 41 3.238 0.040 -12.545
378 HD23 LEU 41 2HD2 LEU 41 2.394 1.543 -12.920
379 HA PRO 42 HA PRO 42 6.365 6.326 -10.806
380 HB2 PRO 42 2HB PRO 42 8.789 5.169 -10.470
381 HB3 PRO 42 1HB PRO 42 7.925 5.976 -9.158
382 HG2 PRO 42 2HG PRO 42 8.155 3.057 -9.764
383 HG3 PRO 42 1HG PRO 42 8.206 3.887 -8.198
384 HD2 PRO 42 2HD PRO 42 5.992 2.604 -9.151
385 HD3 PRO 42 1HD PRO 42 5.923 3.978 -8.031
386 H ARG 43 H ARG 43 5.542 5.981 -12.900
387 HA ARG 43 HA ARG 43 5.691 5.585 -15.116
388 HE ARG 43 HE ARG 43 8.897 4.795 -18.907
389 HB2 ARG 43 2HB ARG 43 8.038 6.310 -14.814
390 HB3 ARG 43 1HB ARG 43 8.502 4.638 -14.525
391 HG2 ARG 43 2HG ARG 43 7.839 4.037 -16.777
392 HG3 ARG 43 1HG ARG 43 7.281 5.685 -17.073
393 HD2 ARG 43 2HD ARG 43 9.537 6.527 -16.778
394 HD3 ARG 43 1HD ARG 43 10.112 4.904 -16.397
395 HH11 ARG 43 1HH1 ARG 43 11.659 6.374 -17.423
396 HH12 ARG 43 2HH1 ARG 43 12.623 6.318 -18.871
397 HH21 ARG 43 1HH2 ARG 43 10.151 4.765 -20.812
398 HH22 ARG 43 2HH2 ARG 43 11.749 5.458 -20.808
399 H LYS 44 H LYS 44 7.876 2.917 -14.366
400 HA LYS 44 HA LYS 44 5.660 1.047 -14.853
401 HB2 LYS 44 2HB LYS 44 7.206 -0.450 -16.043
402 HB3 LYS 44 1HB LYS 44 7.054 1.102 -16.852
403 HG2 LYS 44 2HG LYS 44 9.191 1.808 -16.036
404 HG3 LYS 44 1HG LYS 44 9.328 0.370 -15.023
405 HD2 LYS 44 2HD LYS 44 10.674 0.111 -17.027
406 HD3 LYS 44 1HD LYS 44 9.334 -1.033 -17.047
407 HE2 LYS 44 2HE LYS 44 8.091 0.496 -18.528
408 HE3 LYS 44 1HE LYS 44 9.476 1.586 -18.539
409 HZ1 LYS 44 3HZ LYS 44 9.354 -1.174 -19.627
410 HZ2 LYS 44 1HZ LYS 44 10.795 -0.292 -19.465
411 HZ3 LYS 44 2HZ LYS 44 9.568 0.268 -20.490
412 H SER 45 H SER 45 8.050 2.116 -12.811
413 HA SER 45 HA SER 45 8.913 1.433 -10.843
414 HG SER 45 HG SER 45 6.908 -0.414 -8.623
415 HB2 SER 45 2HB SER 45 6.484 0.926 -10.427
416 HB3 SER 45 1HB SER 45 6.811 -0.739 -10.897
417 H LEU 46 H LEU 46 9.537 -0.814 -9.633
418 HA LEU 46 HA LEU 46 11.193 -2.264 -11.581
419 HG LEU 46 HG LEU 46 13.193 -0.970 -10.895
420 HB2 LEU 46 2HB LEU 46 11.486 -1.896 -8.592
421 HB3 LEU 46 1HB LEU 46 12.471 -3.004 -9.524
422 HD11 LEU 46 1HD1 LEU 46 12.006 0.463 -8.522
423 HD12 LEU 46 2HD1 LEU 46 11.469 0.588 -10.197
424 HD13 LEU 46 3HD1 LEU 46 13.060 1.189 -9.733
425 HD21 LEU 46 3HD2 LEU 46 13.952 -1.149 -7.983
426 HD22 LEU 46 1HD2 LEU 46 14.892 -0.356 -9.248
427 HD23 LEU 46 2HD2 LEU 46 14.639 -2.100 -9.300
428 HA PRO 47 HA PRO 47 9.061 -6.071 -11.497
429 HB2 PRO 47 2HB PRO 47 11.506 -7.181 -10.164
430 HB3 PRO 47 1HB PRO 47 10.558 -7.845 -11.501
431 HG2 PRO 47 2HG PRO 47 12.841 -6.568 -11.976
432 HG3 PRO 47 1HG PRO 47 11.443 -6.351 -13.046
433 HD2 PRO 47 2HD PRO 47 12.608 -4.486 -11.057
434 HD3 PRO 47 1HD PRO 47 11.698 -4.137 -12.539
435 H LYS 48 H LYS 48 11.055 -6.068 -8.515
436 HA LYS 48 HA LYS 48 9.240 -7.547 -6.971
437 HB2 LYS 48 2HB LYS 48 11.104 -5.465 -5.846
438 HB3 LYS 48 1HB LYS 48 10.503 -6.909 -5.052
439 HG2 LYS 48 2HG LYS 48 11.812 -8.282 -6.616
440 HG3 LYS 48 1HG LYS 48 12.458 -6.801 -7.332
441 HD2 LYS 48 2HD LYS 48 13.236 -6.163 -5.018
442 HD3 LYS 48 1HD LYS 48 12.817 -7.799 -4.514
443 HE2 LYS 48 2HE LYS 48 14.360 -8.670 -6.245
444 HE3 LYS 48 1HE LYS 48 14.834 -7.006 -6.600
445 HZ1 LYS 48 3HZ LYS 48 15.656 -6.767 -4.366
446 HZ2 LYS 48 1HZ LYS 48 16.371 -8.136 -5.067
447 HZ3 LYS 48 2HZ LYS 48 15.112 -8.317 -3.944
448 H VAL 49 H VAL 49 9.759 -4.074 -7.210
449 HA VAL 49 HA VAL 49 7.989 -3.332 -5.150
450 HB VAL 49 HB VAL 49 8.816 -1.624 -7.498
451 HG11 VAL 49 1HG1 VAL 49 8.605 0.217 -5.874
452 HG12 VAL 49 2HG1 VAL 49 8.024 -0.934 -4.670
453 HG13 VAL 49 3HG1 VAL 49 7.080 -0.631 -6.129
454 HG21 VAL 49 3HG2 VAL 49 10.778 -2.706 -6.502
455 HG22 VAL 49 1HG2 VAL 49 10.302 -2.099 -4.916
456 HG23 VAL 49 2HG2 VAL 49 10.766 -0.971 -6.189
457 H LYS 50 H LYS 50 7.615 -3.426 -8.684
458 HA LYS 50 HA LYS 50 4.970 -2.432 -8.712
459 HB2 LYS 50 2HB LYS 50 6.455 -2.489 -10.710
460 HB3 LYS 50 1HB LYS 50 6.278 -4.238 -10.756
461 HG2 LYS 50 2HG LYS 50 3.857 -3.969 -11.077
462 HG3 LYS 50 1HG LYS 50 4.068 -2.218 -11.075
463 HD2 LYS 50 2HD LYS 50 5.516 -2.402 -13.046
464 HD3 LYS 50 1HD LYS 50 5.275 -4.152 -13.049
465 HE2 LYS 50 2HE LYS 50 2.851 -3.785 -13.308
466 HE3 LYS 50 1HE LYS 50 3.142 -2.049 -13.396
467 HZ1 LYS 50 3HZ LYS 50 4.254 -4.049 -15.297
468 HZ2 LYS 50 1HZ LYS 50 4.394 -2.361 -15.406
469 HZ3 LYS 50 2HZ LYS 50 2.878 -3.098 -15.581
470 H GLN 51 H GLN 51 6.278 -5.728 -8.597
471 HA GLN 51 HA GLN 51 3.852 -7.096 -8.877
472 HB2 GLN 51 2HB GLN 51 5.987 -8.245 -9.026
473 HB3 GLN 51 1HB GLN 51 6.336 -7.872 -7.342
474 HG2 GLN 51 2HG GLN 51 4.511 -9.280 -6.616
475 HG3 GLN 51 1HG GLN 51 4.061 -9.602 -8.290
476 HE21 GLN 51 1HE2 GLN 51 4.825 -11.439 -6.171
477 HE22 GLN 51 2HE2 GLN 51 6.186 -12.330 -6.768
478 H ALA 52 H ALA 52 5.533 -6.001 -5.947
479 HA ALA 52 HA ALA 52 3.666 -6.998 -4.099
480 HB1 ALA 52 3HB ALA 52 5.924 -6.282 -3.471
481 HB2 ALA 52 1HB ALA 52 4.694 -5.475 -2.498
482 HB3 ALA 52 2HB ALA 52 5.485 -4.607 -3.814
483 H ILE 53 H ILE 53 3.992 -3.749 -5.526
484 HA ILE 53 HA ILE 53 1.758 -2.618 -4.235
485 HB ILE 53 HB ILE 53 3.089 -1.862 -6.843
486 HG12 ILE 53 2HG1 ILE 53 3.290 -0.691 -4.056
487 HG13 ILE 53 1HG1 ILE 53 4.511 -1.691 -4.837
488 HG21 ILE 53 1HG2 ILE 53 0.784 -1.038 -6.792
489 HG22 ILE 53 2HG2 ILE 53 1.945 0.284 -6.660
490 HG23 ILE 53 3HG2 ILE 53 1.086 -0.284 -5.227
491 HD11 ILE 53 3HD1 ILE 53 3.608 1.033 -5.749
492 HD12 ILE 53 1HD1 ILE 53 4.829 0.034 -6.536
493 HD13 ILE 53 2HD1 ILE 53 5.114 0.657 -4.911
494 H LEU 54 H LEU 54 2.093 -4.248 -7.366
495 HA LEU 54 HA LEU 54 -0.498 -3.749 -8.329
496 HG LEU 54 HG LEU 54 -1.134 -5.942 -10.090
497 HB2 LEU 54 2HB LEU 54 1.571 -4.719 -9.534
498 HB3 LEU 54 1HB LEU 54 1.037 -6.268 -8.910
499 HD11 LEU 54 1HD1 LEU 54 0.284 -3.542 -11.239
500 HD12 LEU 54 2HD1 LEU 54 -1.147 -3.526 -10.206
501 HD13 LEU 54 3HD1 LEU 54 -1.240 -4.206 -11.831
502 HD21 LEU 54 3HD2 LEU 54 -0.244 -6.371 -12.337
503 HD22 LEU 54 1HD2 LEU 54 0.625 -7.280 -11.101
504 HD23 LEU 54 2HD2 LEU 54 1.347 -5.832 -11.800
505 H GLU 55 H GLU 55 0.800 -6.360 -6.332
506 HA GLU 55 HA GLU 55 -1.621 -7.849 -6.247
507 HB2 GLU 55 2HB GLU 55 0.551 -8.878 -5.774
508 HB3 GLU 55 1HB GLU 55 0.731 -7.867 -4.348
509 HG2 GLU 55 2HG GLU 55 -1.073 -8.952 -3.249
510 HG3 GLU 55 1HG GLU 55 -1.526 -9.811 -4.721
511 H LEU 56 H LEU 56 -0.240 -5.273 -4.298
512 HA LEU 56 HA LEU 56 -2.196 -5.292 -2.254
513 HG LEU 56 HG LEU 56 0.885 -4.726 -2.282
514 HB2 LEU 56 2HB LEU 56 -0.518 -3.020 -3.325
515 HB3 LEU 56 1HB LEU 56 -1.507 -2.928 -1.882
516 HD11 LEU 56 1HD1 LEU 56 0.467 -2.304 -0.540
517 HD12 LEU 56 2HD1 LEU 56 1.478 -2.389 -1.982
518 HD13 LEU 56 3HD1 LEU 56 1.903 -3.328 -0.551
519 HD21 LEU 56 3HD2 LEU 56 -0.811 -5.797 -0.893
520 HD22 LEU 56 1HD2 LEU 56 -0.891 -4.362 0.130
521 HD23 LEU 56 2HD2 LEU 56 0.588 -5.322 0.069
522 H ASN 57 H ASN 57 -1.951 -3.564 -5.336
523 HA ASN 57 HA ASN 57 -4.332 -2.102 -5.205
524 HB2 ASN 57 2HB ASN 57 -2.939 -3.315 -7.606
525 HB3 ASN 57 1HB ASN 57 -4.290 -2.199 -7.720
526 HD21 ASN 57 1HD2 ASN 57 -3.404 -0.577 -5.468
527 HD22 ASN 57 2HD2 ASN 57 -2.052 0.327 -6.044
528 H GLU 58 H GLU 58 -3.705 -5.407 -6.226
529 HA GLU 58 HA GLU 58 -6.226 -6.124 -7.181
530 HB2 GLU 58 2HB GLU 58 -4.016 -7.434 -7.189
531 HB3 GLU 58 1HB GLU 58 -4.446 -7.940 -5.565
532 HG2 GLU 58 2HG GLU 58 -5.108 -9.665 -7.033
533 HG3 GLU 58 1HG GLU 58 -6.578 -8.842 -6.512
534 H LEU 59 H LEU 59 -4.867 -6.197 -3.939
535 HA LEU 59 HA LEU 59 -7.134 -7.239 -2.607
536 HG LEU 59 HG LEU 59 -6.743 -5.742 0.118
537 HB2 LEU 59 2HB LEU 59 -4.841 -7.243 -1.687
538 HB3 LEU 59 1HB LEU 59 -4.914 -5.500 -1.527
539 HD11 LEU 59 1HD1 LEU 59 -7.240 -7.955 1.038
540 HD12 LEU 59 2HD1 LEU 59 -6.210 -8.692 -0.189
541 HD13 LEU 59 3HD1 LEU 59 -7.682 -7.844 -0.666
542 HD21 LEU 59 3HD2 LEU 59 -4.284 -7.360 0.766
543 HD22 LEU 59 1HD2 LEU 59 -5.371 -6.610 1.933
544 HD23 LEU 59 2HD2 LEU 59 -4.408 -5.605 0.849
545 H ILE 60 H ILE 60 -6.088 -3.955 -3.366
546 HA ILE 60 HA ILE 60 -8.023 -2.560 -1.868
547 HB ILE 60 HB ILE 60 -6.722 -1.709 -4.467
548 HG12 ILE 60 2HG1 ILE 60 -5.901 -1.098 -1.623
549 HG13 ILE 60 1HG1 ILE 60 -5.136 -2.324 -2.628
550 HG21 ILE 60 1HG2 ILE 60 -7.210 0.576 -3.688
551 HG22 ILE 60 2HG2 ILE 60 -8.084 -0.094 -2.310
552 HG23 ILE 60 3HG2 ILE 60 -8.677 -0.367 -3.948
553 HD11 ILE 60 3HD1 ILE 60 -4.450 -0.591 -4.204
554 HD12 ILE 60 1HD1 ILE 60 -3.834 -0.282 -2.581
555 HD13 ILE 60 2HD1 ILE 60 -5.215 0.632 -3.189
556 H GLU 61 H GLU 61 -8.007 -3.584 -5.277
557 HA GLU 61 HA GLU 61 -10.615 -2.625 -5.828
558 HB2 GLU 61 2HB GLU 61 -9.093 -4.813 -7.254
559 HB3 GLU 61 1HB GLU 61 -10.455 -3.902 -7.889
560 HG2 GLU 61 2HG GLU 61 -7.733 -2.818 -7.209
561 HG3 GLU 61 1HG GLU 61 -8.393 -3.076 -8.822
562 H ALA 62 H ALA 62 -9.422 -5.532 -4.367
563 HA ALA 62 HA ALA 62 -11.774 -7.096 -4.635
564 HB1 ALA 62 3HB ALA 62 -10.859 -8.450 -2.815
565 HB2 ALA 62 1HB ALA 62 -9.647 -7.210 -2.495
566 HB3 ALA 62 2HB ALA 62 -9.624 -8.092 -4.023
567 H GLN 63 H GLN 63 -10.682 -4.674 -2.333
568 HA GLN 63 HA GLN 63 -12.868 -5.003 -0.529
569 HB2 GLN 63 2HB GLN 63 -10.988 -2.669 -0.929
570 HB3 GLN 63 1HB GLN 63 -12.158 -2.791 0.378
571 HG2 GLN 63 2HG GLN 63 -11.015 -4.888 1.099
572 HG3 GLN 63 1HG GLN 63 -9.776 -4.559 -0.108
573 HE21 GLN 63 1HE2 GLN 63 -8.158 -4.353 1.406
574 HE22 GLN 63 2HE2 GLN 63 -8.039 -2.995 2.464
575 H ASN 64 H ASN 64 -12.288 -3.088 -3.402
576 HA ASN 64 HA ASN 64 -14.661 -1.523 -3.222
577 HB2 ASN 64 2HB ASN 64 -12.823 -2.222 -5.503
578 HB3 ASN 64 1HB ASN 64 -14.301 -1.310 -5.771
579 HD21 ASN 64 1HD2 ASN 64 -11.090 -1.243 -4.468
580 HD22 ASN 64 2HD2 ASN 64 -11.036 0.459 -4.171
581 H HIS 65 H HIS 65 -13.956 -4.747 -4.213
582 HA HIS 65 HA HIS 65 -16.401 -5.151 -5.676
583 HD1 HIS 65 HD1 HIS 65 -15.522 -7.111 -8.133
584 HD2 HIS 65 HD2 HIS 65 -16.733 -9.127 -4.701
585 HE1 HIS 65 HE1 HIS 65 -16.989 -8.990 -8.929
586 HE2 HIS 65 HE2 HIS 65 -17.763 -10.160 -6.840
587 HB2 HIS 65 2HB HIS 65 -14.228 -6.419 -6.041
588 HB3 HIS 65 1HB HIS 65 -14.569 -7.274 -4.543
589 H GLN 66 H GLN 66 -15.545 -4.971 -2.427
590 HA GLN 66 HA GLN 66 -17.533 -6.792 -1.407
591 HB2 GLN 66 2HB GLN 66 -15.916 -4.648 -0.014
592 HB3 GLN 66 1HB GLN 66 -16.943 -5.820 0.794
593 HG2 GLN 66 2HG GLN 66 -15.531 -7.630 0.052
594 HG3 GLN 66 1HG GLN 66 -14.540 -6.509 -0.881
595 HE21 GLN 66 1HE2 GLN 66 -14.677 -4.439 1.182
596 HE22 GLN 66 2HE2 GLN 66 -13.613 -4.961 2.442
597 H THR 67 H THR 67 -19.519 -6.183 -2.110
598 HA THR 67 HA THR 67 -20.416 -3.456 -1.887
599 HB THR 67 HB THR 67 -22.019 -5.949 -2.499
600 HG1 THR 67 HG1 THR 67 -20.883 -5.882 -4.296
601 HG21 THR 67 3HG2 THR 67 -23.410 -4.053 -1.820
602 HG22 THR 67 1HG2 THR 67 -23.601 -4.374 -3.544
603 HG23 THR 67 2HG2 THR 67 -22.603 -3.025 -3.004
604 H LYS 68 H LYS 68 -20.562 -2.751 0.158
605 HA LYS 68 HA LYS 68 -21.283 -4.466 2.334
606 HB2 LYS 68 2HB LYS 68 -20.895 -1.471 2.218
607 HB3 LYS 68 1HB LYS 68 -21.050 -2.415 3.687
608 HG2 LYS 68 2HG LYS 68 -18.977 -3.526 3.283
609 HG3 LYS 68 1HG LYS 68 -18.859 -2.817 1.670
610 HD2 LYS 68 2HD LYS 68 -18.652 -0.599 2.627
611 HD3 LYS 68 1HD LYS 68 -18.865 -1.253 4.251
612 HE2 LYS 68 2HE LYS 68 -16.598 -1.971 2.393
613 HE3 LYS 68 1HE LYS 68 -16.501 -0.760 3.669
614 HZ1 LYS 68 3HZ LYS 68 -15.608 -2.750 4.535
615 HZ2 LYS 68 1HZ LYS 68 -16.914 -3.681 3.982
616 HZ3 LYS 68 2HZ LYS 68 -17.139 -2.575 5.248
617 H THR 69 H THR 69 -22.636 -1.266 1.805
618 HA THR 69 HA THR 69 -25.304 -2.023 1.363
619 HB THR 69 HB THR 69 -25.169 -2.927 3.656
620 HG1 THR 69 HG1 THR 69 -26.809 -1.184 4.554
621 HG21 THR 69 3HG2 THR 69 -24.453 -0.102 4.439
622 HG22 THR 69 1HG2 THR 69 -23.419 -1.525 4.563
623 HG23 THR 69 2HG2 THR 69 -24.864 -1.395 5.567
624 H ALA 70 H ALA 70 -26.776 -0.062 1.942
625 HA ALA 70 HA ALA 70 -25.467 2.303 0.926
626 HB1 ALA 70 3HB ALA 70 -28.337 1.848 1.741
627 HB2 ALA 70 1HB ALA 70 -27.683 1.682 0.112
628 HB3 ALA 70 2HB ALA 70 -27.717 3.265 0.893
629 H LEU 71 H LEU 71 -26.237 4.453 2.044
630 HA LEU 71 HA LEU 71 -25.125 4.443 4.666
631 HG LEU 71 HG LEU 71 -26.276 7.080 5.679
632 HB2 LEU 71 2HB LEU 71 -24.911 6.337 3.090
633 HB3 LEU 71 1HB LEU 71 -26.632 6.642 3.250
634 HD11 LEU 71 1HD1 LEU 71 -24.225 5.805 5.991
635 HD12 LEU 71 2HD1 LEU 71 -23.997 7.488 6.468
636 HD13 LEU 71 3HD1 LEU 71 -23.360 6.914 4.928
637 HD21 LEU 71 3HD2 LEU 71 -26.412 8.902 4.071
638 HD22 LEU 71 1HD2 LEU 71 -24.678 8.781 3.775
639 HD23 LEU 71 2HD2 LEU 71 -25.268 9.282 5.359
640 H GLU 72 H GLU 72 -26.282 3.304 6.111
641 HA GLU 72 HA GLU 72 -29.099 4.035 6.547
642 HB2 GLU 72 2HB GLU 72 -27.557 1.665 7.623
643 HB3 GLU 72 1HB GLU 72 -29.287 1.943 7.781
644 HG2 GLU 72 2HG GLU 72 -29.648 1.590 5.475
645 HG3 GLU 72 1HG GLU 72 -27.919 1.641 5.126
646 H HIS 73 H HIS 73 -26.492 5.366 7.379
647 HA HIS 73 HA HIS 73 -26.284 5.073 10.210
648 HD1 HIS 73 HD1 HIS 73 -23.750 4.060 9.488
649 HD2 HIS 73 HD2 HIS 73 -23.451 7.787 11.318
650 HE1 HIS 73 HE1 HIS 73 -21.898 3.843 11.179
651 HE2 HIS 73 HE2 HIS 73 -21.690 6.122 12.231
652 HB2 HIS 73 2HB HIS 73 -24.780 6.298 8.153
653 HB3 HIS 73 1HB HIS 73 -25.212 7.578 9.282
654 H HIS 74 H HIS 74 -26.850 6.586 11.805
655 HA HIS 74 HA HIS 74 -28.915 8.524 11.005
656 HD1 HIS 74 HD1 HIS 74 -28.534 7.824 15.269
657 HD2 HIS 74 HD2 HIS 74 -28.850 4.376 12.962
658 HE1 HIS 74 HE1 HIS 74 -27.640 5.964 16.702
659 HE2 HIS 74 HE2 HIS 74 -27.652 3.930 15.215
660 HB2 HIS 74 2HB HIS 74 -30.104 8.014 13.141
661 HB3 HIS 74 1HB HIS 74 -30.075 6.656 12.022
Start of MODEL 19
1 HA MET 1 HA MET 1 4.918 8.724 6.046
2 H1 MET 1 1H MET 1 4.563 11.020 6.679
3 H2 MET 1 2H MET 1 4.715 10.609 8.320
4 H3 MET 1 3H MET 1 3.419 10.002 7.413
5 HB2 MET 1 2HB MET 1 6.866 10.207 6.204
6 HB3 MET 1 1HB MET 1 7.032 9.830 7.914
7 HG2 MET 1 2HG MET 1 7.409 7.450 7.273
8 HG3 MET 1 1HG MET 1 7.430 7.964 5.588
9 HE1 MET 1 3HE MET 1 8.837 10.832 5.925
10 HE2 MET 1 1HE MET 1 9.242 9.720 4.619
11 HE3 MET 1 2HE MET 1 10.526 10.419 5.606
12 H ARG 2 H ARG 2 3.871 6.948 6.760
13 HA ARG 2 HA ARG 2 4.290 6.101 9.530
14 HE ARG 2 HE ARG 2 0.184 4.515 10.847
15 HB2 ARG 2 2HB ARG 2 2.377 5.271 7.376
16 HB3 ARG 2 1HB ARG 2 2.674 4.217 8.753
17 HG2 ARG 2 2HG ARG 2 1.828 7.088 9.038
18 HG3 ARG 2 1HG ARG 2 0.698 5.741 8.942
19 HD2 ARG 2 2HD ARG 2 2.909 5.629 10.934
20 HD3 ARG 2 1HD ARG 2 1.506 6.642 11.270
21 HH11 ARG 2 1HH1 ARG 2 3.448 4.476 12.127
22 HH12 ARG 2 2HH1 ARG 2 3.207 3.013 13.034
23 HH21 ARG 2 1HH2 ARG 2 -0.134 2.610 12.032
24 HH22 ARG 2 2HH2 ARG 2 1.160 1.947 12.990
25 H VAL 3 H VAL 3 5.565 4.475 10.088
26 HA VAL 3 HA VAL 3 7.110 3.228 7.905
27 HB VAL 3 HB VAL 3 7.958 3.629 10.781
28 HG11 VAL 3 1HG1 VAL 3 9.490 2.688 8.361
29 HG12 VAL 3 2HG1 VAL 3 9.047 1.718 9.768
30 HG13 VAL 3 3HG1 VAL 3 10.199 3.044 9.935
31 HG21 VAL 3 3HG2 VAL 3 8.746 5.161 8.308
32 HG22 VAL 3 1HG2 VAL 3 9.446 5.368 9.912
33 HG23 VAL 3 2HG2 VAL 3 7.749 5.765 9.632
34 H PHE 4 H PHE 4 6.752 1.174 7.554
35 HA PHE 4 HA PHE 4 5.802 -0.507 9.780
36 HD1 PHE 4 HD1 PHE 4 4.008 1.629 7.360
37 HD2 PHE 4 HD2 PHE 4 2.897 -2.003 9.276
38 HE1 PHE 4 HE1 PHE 4 1.859 2.633 8.006
39 HE2 PHE 4 HE2 PHE 4 0.746 -1.003 9.927
40 HZ PHE 4 HZ PHE 4 0.226 1.313 9.287
41 HB2 PHE 4 2HB PHE 4 5.108 -0.587 6.847
42 HB3 PHE 4 1HB PHE 4 4.805 -1.946 7.923
43 HA PRO 5 HA PRO 5 9.730 -2.516 8.876
44 HB2 PRO 5 2HB PRO 5 9.804 -3.946 11.168
45 HB3 PRO 5 1HB PRO 5 10.223 -2.229 11.115
46 HG2 PRO 5 2HG PRO 5 7.659 -3.531 11.959
47 HG3 PRO 5 1HG PRO 5 8.541 -2.196 12.726
48 HD2 PRO 5 2HD PRO 5 6.379 -1.812 11.127
49 HD3 PRO 5 1HD PRO 5 7.700 -0.634 11.263
50 H VAL 6 H VAL 6 6.600 -3.828 9.566
51 HA VAL 6 HA VAL 6 7.439 -6.478 8.639
52 HB VAL 6 HB VAL 6 5.247 -7.270 9.535
53 HG11 VAL 6 1HG1 VAL 6 7.077 -5.892 11.501
54 HG12 VAL 6 2HG1 VAL 6 7.292 -7.508 10.829
55 HG13 VAL 6 3HG1 VAL 6 5.927 -7.172 11.892
56 HG21 VAL 6 3HG2 VAL 6 4.046 -5.128 9.457
57 HG22 VAL 6 1HG2 VAL 6 5.091 -4.498 10.730
58 HG23 VAL 6 2HG2 VAL 6 3.999 -5.842 11.069
59 H TYR 7 H TYR 7 6.813 -7.224 6.739
60 HA TYR 7 HA TYR 7 5.125 -5.569 5.060
61 HD1 TYR 7 HD1 TYR 7 5.420 -5.225 2.484
62 HD2 TYR 7 HD2 TYR 7 5.640 -9.450 2.935
63 HE1 TYR 7 HE1 TYR 7 4.311 -5.512 0.306
64 HE2 TYR 7 HE2 TYR 7 4.533 -9.749 0.764
65 HH TYR 7 HH TYR 7 4.118 -7.234 -1.463
66 HB2 TYR 7 2HB TYR 7 7.131 -6.473 4.060
67 HB3 TYR 7 1HB TYR 7 6.673 -8.110 4.512
68 H ALA 8 H ALA 8 3.053 -5.755 5.755
69 HA ALA 8 HA ALA 8 1.830 -8.403 5.370
70 HB1 ALA 8 3HB ALA 8 0.242 -7.930 7.162
71 HB2 ALA 8 1HB ALA 8 1.037 -6.389 7.473
72 HB3 ALA 8 2HB ALA 8 1.897 -7.900 7.767
73 HA PRO 9 HA PRO 9 0.156 -5.742 2.064
74 HB2 PRO 9 2HB PRO 9 -1.257 -8.353 1.691
75 HB3 PRO 9 1HB PRO 9 -0.518 -7.295 0.487
76 HG2 PRO 9 2HG PRO 9 0.750 -9.477 1.253
77 HG3 PRO 9 1HG PRO 9 1.650 -7.960 1.047
78 HD2 PRO 9 2HD PRO 9 0.760 -9.313 3.562
79 HD3 PRO 9 1HD PRO 9 2.258 -8.417 3.233
80 H LYS 10 H LYS 10 -1.976 -8.107 3.654
81 HA LYS 10 HA LYS 10 -4.389 -6.836 3.341
82 HB2 LYS 10 2HB LYS 10 -4.347 -9.042 4.246
83 HB3 LYS 10 1HB LYS 10 -3.380 -8.533 5.622
84 HG2 LYS 10 2HG LYS 10 -5.627 -8.907 6.353
85 HG3 LYS 10 1HG LYS 10 -5.297 -7.175 6.412
86 HD2 LYS 10 2HD LYS 10 -7.415 -7.277 5.461
87 HD3 LYS 10 1HD LYS 10 -6.358 -7.120 4.059
88 HE2 LYS 10 2HE LYS 10 -8.049 -8.804 3.646
89 HE3 LYS 10 1HE LYS 10 -6.458 -9.559 3.738
90 HZ1 LYS 10 3HZ LYS 10 -6.918 -10.382 5.883
91 HZ2 LYS 10 1HZ LYS 10 -8.296 -10.726 4.959
92 HZ3 LYS 10 2HZ LYS 10 -8.309 -9.428 6.051
93 H LEU 11 H LEU 11 -2.158 -6.432 6.087
94 HA LEU 11 HA LEU 11 -3.842 -4.665 7.496
95 HG LEU 11 HG LEU 11 -2.084 -7.121 8.274
96 HB2 LEU 11 2HB LEU 11 -0.867 -5.082 7.709
97 HB3 LEU 11 1HB LEU 11 -1.831 -4.168 8.853
98 HD11 LEU 11 1HD1 LEU 11 -0.103 -6.562 9.569
99 HD12 LEU 11 2HD1 LEU 11 -1.297 -7.384 10.574
100 HD13 LEU 11 3HD1 LEU 11 -1.087 -5.638 10.703
101 HD21 LEU 11 3HD2 LEU 11 -3.710 -7.146 10.096
102 HD22 LEU 11 1HD2 LEU 11 -4.255 -6.115 8.773
103 HD23 LEU 11 2HD2 LEU 11 -3.589 -5.391 10.239
104 H ILE 12 H ILE 12 -1.240 -4.108 5.186
105 HA ILE 12 HA ILE 12 -1.018 -1.320 5.556
106 HB ILE 12 HB ILE 12 -0.440 -2.982 3.099
107 HG12 ILE 12 2HG1 ILE 12 1.408 -1.898 5.242
108 HG13 ILE 12 1HG1 ILE 12 0.856 -3.569 5.132
109 HG21 ILE 12 1HG2 ILE 12 0.373 -0.149 3.732
110 HG22 ILE 12 2HG2 ILE 12 -0.755 -0.657 2.475
111 HG23 ILE 12 3HG2 ILE 12 0.948 -1.099 2.362
112 HD11 ILE 12 3HD1 ILE 12 2.525 -2.134 3.075
113 HD12 ILE 12 1HD1 ILE 12 1.983 -3.812 2.989
114 HD13 ILE 12 2HD1 ILE 12 3.109 -3.313 4.253
115 H VAL 13 H VAL 13 -2.815 -3.184 3.102
116 HA VAL 13 HA VAL 13 -4.025 -0.911 1.910
117 HB VAL 13 HB VAL 13 -4.869 -3.816 1.833
118 HG11 VAL 13 1HG1 VAL 13 -5.746 -1.489 0.126
119 HG12 VAL 13 2HG1 VAL 13 -6.748 -2.425 1.235
120 HG13 VAL 13 3HG1 VAL 13 -6.099 -3.183 -0.216
121 HG21 VAL 13 3HG2 VAL 13 -3.254 -2.169 -0.109
122 HG22 VAL 13 1HG2 VAL 13 -3.758 -3.842 -0.347
123 HG23 VAL 13 2HG2 VAL 13 -2.633 -3.435 0.950
124 H LYS 14 H LYS 14 -5.019 -3.121 4.462
125 HA LYS 14 HA LYS 14 -7.698 -2.324 4.700
126 HB2 LYS 14 2HB LYS 14 -6.753 -4.343 5.744
127 HB3 LYS 14 1HB LYS 14 -5.812 -3.339 6.833
128 HG2 LYS 14 2HG LYS 14 -7.816 -2.535 7.901
129 HG3 LYS 14 1HG LYS 14 -8.821 -3.411 6.741
130 HD2 LYS 14 2HD LYS 14 -7.964 -5.529 7.546
131 HD3 LYS 14 1HD LYS 14 -6.852 -4.695 8.634
132 HE2 LYS 14 2HE LYS 14 -9.860 -4.511 8.770
133 HE3 LYS 14 1HE LYS 14 -8.870 -5.576 9.767
134 HZ1 LYS 14 3HZ LYS 14 -7.723 -3.586 10.616
135 HZ2 LYS 14 1HZ LYS 14 -9.380 -3.592 10.983
136 HZ3 LYS 14 2HZ LYS 14 -8.792 -2.609 9.737
137 H HIS 15 H HIS 15 -4.731 -0.963 6.004
138 HA HIS 15 HA HIS 15 -6.225 0.926 7.644
139 HD1 HIS 15 HD1 HIS 15 -4.786 -0.391 10.383
140 HD2 HIS 15 HD2 HIS 15 -4.015 3.475 9.067
141 HE1 HIS 15 HE1 HIS 15 -5.027 1.079 12.416
142 HE2 HIS 15 HE2 HIS 15 -4.650 3.429 11.578
143 HB2 HIS 15 2HB HIS 15 -3.832 -0.311 8.049
144 HB3 HIS 15 1HB HIS 15 -3.306 1.250 7.427
145 H ALA 16 H ALA 16 -4.976 0.735 4.518
146 HA ALA 16 HA ALA 16 -4.187 3.416 4.084
147 HB1 ALA 16 3HB ALA 16 -5.256 1.452 2.058
148 HB2 ALA 16 1HB ALA 16 -3.576 1.556 2.586
149 HB3 ALA 16 2HB ALA 16 -4.313 2.905 1.720
150 H ARG 17 H ARG 17 -7.251 1.978 4.491
151 HA ARG 17 HA ARG 17 -8.859 3.765 3.028
152 HE ARG 17 HE ARG 17 -11.517 1.928 0.633
153 HB2 ARG 17 2HB ARG 17 -9.278 1.836 5.229
154 HB3 ARG 17 1HB ARG 17 -10.478 3.115 5.092
155 HG2 ARG 17 2HG ARG 17 -9.676 1.297 2.829
156 HG3 ARG 17 1HG ARG 17 -11.074 1.040 3.877
157 HD2 ARG 17 2HD ARG 17 -11.965 3.226 3.197
158 HD3 ARG 17 1HD ARG 17 -10.585 3.440 2.121
159 HH11 ARG 17 1HH1 ARG 17 -13.387 2.052 3.591
160 HH12 ARG 17 2HH1 ARG 17 -14.740 1.181 2.926
161 HH21 ARG 17 1HH2 ARG 17 -13.285 0.798 -0.247
162 HH22 ARG 17 2HH2 ARG 17 -14.671 0.457 0.737
163 H ILE 18 H ILE 18 -7.086 4.189 5.941
164 HA ILE 18 HA ILE 18 -8.611 6.592 6.645
165 HB ILE 18 HB ILE 18 -6.339 5.273 8.146
166 HG12 ILE 18 2HG1 ILE 18 -9.317 5.169 8.681
167 HG13 ILE 18 1HG1 ILE 18 -8.378 3.857 7.980
168 HG21 ILE 18 1HG2 ILE 18 -6.535 7.635 8.664
169 HG22 ILE 18 2HG2 ILE 18 -7.101 6.674 10.029
170 HG23 ILE 18 3HG2 ILE 18 -8.264 7.451 8.956
171 HD11 ILE 18 3HD1 ILE 18 -8.814 3.512 10.355
172 HD12 ILE 18 1HD1 ILE 18 -7.977 5.017 10.726
173 HD13 ILE 18 2HD1 ILE 18 -7.087 3.665 10.026
174 H PHE 19 H PHE 19 -5.366 5.520 5.804
175 HA PHE 19 HA PHE 19 -4.367 8.254 5.819
176 HD1 PHE 19 HD1 PHE 19 -3.861 4.926 7.807
177 HD2 PHE 19 HD2 PHE 19 -1.745 8.575 7.259
178 HE1 PHE 19 HE1 PHE 19 -3.586 5.130 10.246
179 HE2 PHE 19 HE2 PHE 19 -1.464 8.785 9.693
180 HZ PHE 19 HZ PHE 19 -2.387 7.061 11.192
181 HB2 PHE 19 2HB PHE 19 -3.007 5.571 5.631
182 HB3 PHE 19 1HB PHE 19 -2.144 7.090 5.412
183 H LEU 20 H LEU 20 -6.078 6.762 3.710
184 HA LEU 20 HA LEU 20 -5.053 6.064 1.399
185 HG LEU 20 HG LEU 20 -7.463 8.251 3.027
186 HB2 LEU 20 2HB LEU 20 -6.996 7.203 0.259
187 HB3 LEU 20 1HB LEU 20 -7.362 6.097 1.563
188 HD11 LEU 20 1HD1 LEU 20 -7.963 9.412 0.294
189 HD12 LEU 20 2HD1 LEU 20 -6.578 9.767 1.328
190 HD13 LEU 20 3HD1 LEU 20 -8.202 10.229 1.839
191 HD21 LEU 20 3HD2 LEU 20 -9.355 6.797 2.555
192 HD22 LEU 20 1HD2 LEU 20 -9.592 7.590 0.996
193 HD23 LEU 20 2HD2 LEU 20 -9.838 8.492 2.494
194 H THR 21 H THR 21 -4.861 9.429 2.408
195 HA THR 21 HA THR 21 -3.275 9.902 -0.019
196 HB THR 21 HB THR 21 -5.047 11.469 -0.085
197 HG1 THR 21 HG1 THR 21 -3.316 12.671 -0.584
198 HG21 THR 21 3HG2 THR 21 -4.461 12.138 2.800
199 HG22 THR 21 1HG2 THR 21 -5.862 11.248 2.206
200 HG23 THR 21 2HG2 THR 21 -5.650 12.946 1.780
201 H GLY 22 H GLY 22 -1.181 9.503 0.508
202 HA2 GLY 22 2HA GLY 22 0.295 11.196 2.100
203 HA3 GLY 22 1HA GLY 22 -0.204 9.896 3.164
204 H VAL 23 H VAL 23 1.847 9.156 3.501
205 HA VAL 23 HA VAL 23 3.013 7.647 1.305
206 HB VAL 23 HB VAL 23 4.125 9.827 1.195
207 HG11 VAL 23 1HG1 VAL 23 4.979 9.279 4.035
208 HG12 VAL 23 2HG1 VAL 23 3.892 10.557 3.489
209 HG13 VAL 23 3HG1 VAL 23 5.590 10.583 3.018
210 HG21 VAL 23 3HG2 VAL 23 5.383 7.856 0.568
211 HG22 VAL 23 1HG2 VAL 23 5.903 7.633 2.238
212 HG23 VAL 23 2HG2 VAL 23 6.441 9.044 1.328
213 H ILE 24 H ILE 24 3.951 5.781 1.938
214 HA ILE 24 HA ILE 24 4.210 5.307 4.836
215 HB ILE 24 HB ILE 24 2.230 4.154 4.095
216 HG12 ILE 24 2HG1 ILE 24 4.545 2.228 4.401
217 HG13 ILE 24 1HG1 ILE 24 3.592 2.933 5.702
218 HG21 ILE 24 1HG2 ILE 24 2.674 4.093 1.712
219 HG22 ILE 24 2HG2 ILE 24 2.255 2.488 2.309
220 HG23 ILE 24 3HG2 ILE 24 3.939 2.887 1.962
221 HD11 ILE 24 3HD1 ILE 24 2.938 0.645 5.290
222 HD12 ILE 24 1HD1 ILE 24 2.593 1.024 3.603
223 HD13 ILE 24 2HD1 ILE 24 1.619 1.742 4.886
224 H TRP 25 H TRP 25 5.999 4.167 5.494
225 HA TRP 25 HA TRP 25 7.963 3.569 3.382
226 HD1 TRP 25 HD1 TRP 25 10.599 2.271 5.074
227 HE1 TRP 25 HE1 TRP 25 12.887 2.880 4.068
228 HE3 TRP 25 HE3 TRP 25 9.740 7.210 4.076
229 HZ2 TRP 25 HZ2 TRP 25 14.157 5.161 2.996
230 HZ3 TRP 25 HZ3 TRP 25 11.549 8.537 3.060
231 HH2 TRP 25 HH2 TRP 25 13.712 7.532 2.531
232 HB2 TRP 25 2HB TRP 25 8.400 5.490 5.076
233 HB3 TRP 25 1HB TRP 25 8.697 4.198 6.235
234 H VAL 26 H VAL 26 8.076 1.446 3.098
235 HA VAL 26 HA VAL 26 7.758 -0.338 5.418
236 HB VAL 26 HB VAL 26 7.890 -1.198 2.531
237 HG11 VAL 26 1HG1 VAL 26 8.212 -2.950 4.184
238 HG12 VAL 26 2HG1 VAL 26 6.682 -3.164 3.336
239 HG13 VAL 26 3HG1 VAL 26 6.698 -2.506 4.971
240 HG21 VAL 26 3HG2 VAL 26 5.416 -0.441 4.086
241 HG22 VAL 26 1HG2 VAL 26 5.431 -1.212 2.499
242 HG23 VAL 26 2HG2 VAL 26 6.082 0.417 2.694
243 H LYS 27 H LYS 27 9.305 -2.047 5.713
244 HA LYS 27 HA LYS 27 11.982 -1.127 5.360
245 HB2 LYS 27 2HB LYS 27 11.250 -2.393 7.351
246 HB3 LYS 27 1HB LYS 27 10.991 -3.806 6.338
247 HG2 LYS 27 2HG LYS 27 13.447 -3.634 5.721
248 HG3 LYS 27 1HG LYS 27 13.589 -2.484 7.050
249 HD2 LYS 27 2HD LYS 27 12.570 -5.312 7.291
250 HD3 LYS 27 1HD LYS 27 14.197 -4.777 7.709
251 HE2 LYS 27 2HE LYS 27 13.273 -3.288 9.409
252 HE3 LYS 27 1HE LYS 27 11.642 -3.801 8.979
253 HZ1 LYS 27 3HZ LYS 27 12.427 -4.980 10.926
254 HZ2 LYS 27 1HZ LYS 27 13.789 -5.538 10.078
255 HZ3 LYS 27 2HZ LYS 27 12.243 -6.064 9.630
256 H ASP 28 H ASP 28 10.196 -3.927 4.104
257 HA ASP 28 HA ASP 28 12.412 -4.909 2.605
258 HB2 ASP 28 2HB ASP 28 10.446 -6.270 3.481
259 HB3 ASP 28 1HB ASP 28 9.522 -5.627 2.127
260 H LEU 29 H LEU 29 9.440 -3.212 1.669
261 HA LEU 29 HA LEU 29 10.191 -3.195 -1.116
262 HG LEU 29 HG LEU 29 7.638 -4.230 0.435
263 HB2 LEU 29 2HB LEU 29 7.927 -1.792 0.305
264 HB3 LEU 29 1HB LEU 29 8.118 -1.908 -1.431
265 HD11 LEU 29 1HD1 LEU 29 5.448 -4.335 -0.672
266 HD12 LEU 29 2HD1 LEU 29 5.837 -2.859 -1.555
267 HD13 LEU 29 3HD1 LEU 29 5.676 -2.819 0.201
268 HD21 LEU 29 3HD2 LEU 29 7.812 -4.124 -2.573
269 HD22 LEU 29 1HD2 LEU 29 7.371 -5.536 -1.614
270 HD23 LEU 29 2HD2 LEU 29 8.997 -4.860 -1.495
271 H GLY 30 H GLY 30 9.544 -0.643 1.280
272 HA2 GLY 30 2HA GLY 30 11.402 1.097 1.336
273 HA3 GLY 30 1HA GLY 30 11.110 1.197 -0.398
274 H ARG 31 H ARG 31 10.530 3.393 -0.241
275 HA ARG 31 HA ARG 31 8.251 4.104 1.416
276 HE ARG 31 HE ARG 31 9.112 7.748 -1.432
277 HB2 ARG 31 2HB ARG 31 10.274 5.590 1.060
278 HB3 ARG 31 1HB ARG 31 9.694 5.845 -0.583
279 HG2 ARG 31 2HG ARG 31 7.546 6.672 0.426
280 HG3 ARG 31 1HG ARG 31 8.357 6.631 1.992
281 HD2 ARG 31 2HD ARG 31 8.571 8.850 1.233
282 HD3 ARG 31 1HD ARG 31 10.139 8.099 0.940
283 HH11 ARG 31 1HH1 ARG 31 8.741 10.541 0.651
284 HH12 ARG 31 2HH1 ARG 31 8.454 11.644 -0.668
285 HH21 ARG 31 1HH2 ARG 31 8.774 9.188 -3.161
286 HH22 ARG 31 2HH2 ARG 31 8.476 10.865 -2.842
287 H LEU 32 H LEU 32 6.194 4.228 0.724
288 HA LEU 32 HA LEU 32 5.724 3.895 -2.172
289 HG LEU 32 HG LEU 32 6.089 1.473 -0.212
290 HB2 LEU 32 2HB LEU 32 4.055 2.847 0.118
291 HB3 LEU 32 1HB LEU 32 3.680 2.669 -1.584
292 HD11 LEU 32 1HD1 LEU 32 3.549 0.174 -1.179
293 HD12 LEU 32 2HD1 LEU 32 4.001 0.433 0.506
294 HD13 LEU 32 3HD1 LEU 32 4.950 -0.658 -0.505
295 HD21 LEU 32 3HD2 LEU 32 6.486 1.992 -2.565
296 HD22 LEU 32 1HD2 LEU 32 5.022 1.117 -3.013
297 HD23 LEU 32 2HD2 LEU 32 6.387 0.251 -2.305
298 H GLU 33 H GLU 33 4.071 5.025 -3.112
299 HA GLU 33 HA GLU 33 2.944 7.237 -1.504
300 HB2 GLU 33 2HB GLU 33 3.664 7.291 -4.448
301 HB3 GLU 33 1HB GLU 33 3.123 8.647 -3.467
302 HG2 GLU 33 2HG GLU 33 5.146 8.741 -2.280
303 HG3 GLU 33 1HG GLU 33 5.649 7.152 -2.854
304 H PHE 34 H PHE 34 0.780 7.450 -1.560
305 HA PHE 34 HA PHE 34 -0.735 6.122 -3.658
306 HD1 PHE 34 HD2 PHE 34 1.076 5.629 -0.271
307 HD2 PHE 34 HD1 PHE 34 -3.148 5.217 0.043
308 HE1 PHE 34 HE2 PHE 34 1.228 5.957 2.160
309 HE2 PHE 34 HE1 PHE 34 -2.998 5.535 2.476
310 HZ PHE 34 HZ PHE 34 -0.807 5.898 3.539
311 HB2 PHE 34 2HB PHE 34 -2.165 4.942 -2.001
312 HB3 PHE 34 1HB PHE 34 -0.509 4.357 -2.028
313 H GLU 35 H GLU 35 -2.732 6.937 -4.031
314 HA GLU 35 HA GLU 35 -3.757 9.000 -2.217
315 HB2 GLU 35 2HB GLU 35 -2.670 10.208 -4.044
316 HB3 GLU 35 1HB GLU 35 -3.555 9.256 -5.230
317 HG2 GLU 35 2HG GLU 35 -5.629 10.243 -4.569
318 HG3 GLU 35 1HG GLU 35 -4.862 11.071 -3.217
319 H LYS 36 H LYS 36 -5.940 8.934 -1.932
320 HA LYS 36 HA LYS 36 -8.048 8.093 -1.908
321 HB2 LYS 36 2HB LYS 36 -7.374 7.256 -4.735
322 HB3 LYS 36 1HB LYS 36 -8.974 7.130 -4.019
323 HG2 LYS 36 2HG LYS 36 -9.125 9.513 -3.804
324 HG3 LYS 36 1HG LYS 36 -7.456 9.706 -4.347
325 HD2 LYS 36 2HD LYS 36 -8.019 8.849 -6.527
326 HD3 LYS 36 1HD LYS 36 -9.662 8.484 -5.997
327 HE2 LYS 36 2HE LYS 36 -10.119 10.838 -5.685
328 HE3 LYS 36 1HE LYS 36 -8.450 11.242 -6.097
329 HZ1 LYS 36 3HZ LYS 36 -8.783 10.520 -8.314
330 HZ2 LYS 36 1HZ LYS 36 -10.091 11.531 -7.934
331 HZ3 LYS 36 2HZ LYS 36 -10.294 9.843 -7.954
332 H GLY 37 H GLY 37 -5.568 6.506 -1.283
333 HA2 GLY 37 2HA GLY 37 -5.380 4.460 -0.174
334 HA3 GLY 37 1HA GLY 37 -6.915 3.963 -0.876
335 H ARG 38 H ARG 38 -5.558 5.050 -3.497
336 HA ARG 38 HA ARG 38 -4.587 2.387 -4.250
337 HE ARG 38 HE ARG 38 -6.483 2.729 -8.346
338 HB2 ARG 38 2HB ARG 38 -5.232 4.734 -6.048
339 HB3 ARG 38 1HB ARG 38 -5.015 3.054 -6.528
340 HG2 ARG 38 2HG ARG 38 -7.026 2.445 -5.255
341 HG3 ARG 38 1HG ARG 38 -7.248 4.139 -4.821
342 HD2 ARG 38 2HD ARG 38 -8.695 3.679 -6.647
343 HD3 ARG 38 1HD ARG 38 -7.363 4.657 -7.265
344 HH11 ARG 38 1HH1 ARG 38 -9.614 2.218 -6.853
345 HH12 ARG 38 2HH1 ARG 38 -9.975 0.797 -7.792
346 HH21 ARG 38 1HH2 ARG 38 -6.970 0.866 -9.586
347 HH22 ARG 38 2HH2 ARG 38 -8.483 0.034 -9.333
348 H PHE 39 H PHE 39 -2.680 1.940 -4.537
349 HA PHE 39 HA PHE 39 -0.572 3.763 -4.002
350 HD1 PHE 39 HD2 PHE 39 1.663 2.525 -2.528
351 HD2 PHE 39 HD1 PHE 39 -2.084 0.509 -2.563
352 HE1 PHE 39 HE2 PHE 39 1.761 2.310 -0.082
353 HE2 PHE 39 HE1 PHE 39 -1.995 0.290 -0.114
354 HZ PHE 39 HZ PHE 39 -0.070 1.190 1.130
355 HB2 PHE 39 2HB PHE 39 -0.911 0.866 -4.568
356 HB3 PHE 39 1HB PHE 39 0.719 1.552 -4.600
357 H LEU 40 H LEU 40 0.730 4.784 -5.372
358 HA LEU 40 HA LEU 40 0.170 4.626 -8.217
359 HG LEU 40 HG LEU 40 -0.247 6.835 -6.038
360 HB2 LEU 40 2HB LEU 40 2.109 6.381 -6.706
361 HB3 LEU 40 1HB LEU 40 1.636 6.573 -8.383
362 HD11 LEU 40 1HD1 LEU 40 1.080 8.962 -7.710
363 HD12 LEU 40 2HD1 LEU 40 1.413 8.611 -6.013
364 HD13 LEU 40 3HD1 LEU 40 -0.165 9.237 -6.491
365 HD21 LEU 40 3HD2 LEU 40 -1.776 7.785 -7.676
366 HD22 LEU 40 1HD2 LEU 40 -1.325 6.138 -8.122
367 HD23 LEU 40 2HD2 LEU 40 -0.594 7.511 -8.956
368 H LEU 41 H LEU 41 1.900 4.409 -9.802
369 HA LEU 41 HA LEU 41 4.189 2.851 -8.817
370 HG LEU 41 HG LEU 41 4.749 1.544 -11.652
371 HB2 LEU 41 2HB LEU 41 2.521 1.279 -9.627
372 HB3 LEU 41 1HB LEU 41 2.396 2.154 -11.140
373 HD11 LEU 41 1HD1 LEU 41 5.563 1.239 -9.378
374 HD12 LEU 41 2HD1 LEU 41 5.826 -0.214 -10.339
375 HD13 LEU 41 3HD1 LEU 41 4.506 -0.157 -9.172
376 HD21 LEU 41 3HD2 LEU 41 2.913 0.223 -12.542
377 HD22 LEU 41 1HD2 LEU 41 2.893 -0.763 -11.078
378 HD23 LEU 41 2HD2 LEU 41 4.289 -0.810 -12.154
379 HA PRO 42 HA PRO 42 6.265 5.937 -11.425
380 HB2 PRO 42 2HB PRO 42 8.589 4.408 -10.399
381 HB3 PRO 42 1HB PRO 42 8.287 6.148 -10.381
382 HG2 PRO 42 2HG PRO 42 8.110 4.707 -8.146
383 HG3 PRO 42 1HG PRO 42 6.988 6.039 -8.467
384 HD2 PRO 42 2HD PRO 42 6.553 3.088 -8.734
385 HD3 PRO 42 1HD PRO 42 5.454 4.339 -8.115
386 H ARG 43 H ARG 43 8.114 5.605 -13.047
387 HA ARG 43 HA ARG 43 7.241 4.124 -15.141
388 HE ARG 43 HE ARG 43 11.409 6.454 -16.043
389 HB2 ARG 43 2HB ARG 43 9.008 5.843 -15.272
390 HB3 ARG 43 1HB ARG 43 10.147 4.704 -14.565
391 HG2 ARG 43 2HG ARG 43 9.487 3.188 -16.557
392 HG3 ARG 43 1HG ARG 43 8.887 4.684 -17.272
393 HD2 ARG 43 2HD ARG 43 11.701 4.111 -16.351
394 HD3 ARG 43 1HD ARG 43 11.146 4.281 -18.015
395 HH11 ARG 43 1HH1 ARG 43 10.869 5.376 -19.334
396 HH12 ARG 43 2HH1 ARG 43 11.237 6.914 -20.039
397 HH21 ARG 43 1HH2 ARG 43 11.899 8.488 -16.967
398 HH22 ARG 43 2HH2 ARG 43 11.804 8.696 -18.694
399 H LYS 44 H LYS 44 10.058 3.093 -13.200
400 HA LYS 44 HA LYS 44 9.507 0.348 -14.134
401 HB2 LYS 44 2HB LYS 44 11.623 1.419 -14.978
402 HB3 LYS 44 1HB LYS 44 12.184 1.481 -13.312
403 HG2 LYS 44 2HG LYS 44 11.991 -0.981 -13.193
404 HG3 LYS 44 1HG LYS 44 11.540 -1.000 -14.898
405 HD2 LYS 44 2HD LYS 44 14.147 -0.037 -13.726
406 HD3 LYS 44 1HD LYS 44 13.894 -1.508 -14.665
407 HE2 LYS 44 2HE LYS 44 13.534 1.318 -15.657
408 HE3 LYS 44 1HE LYS 44 14.889 0.256 -16.030
409 HZ1 LYS 44 3HZ LYS 44 13.316 0.268 -17.827
410 HZ2 LYS 44 1HZ LYS 44 12.050 -0.179 -16.793
411 HZ3 LYS 44 2HZ LYS 44 13.312 -1.263 -17.102
412 H SER 45 H SER 45 10.842 2.256 -11.459
413 HA SER 45 HA SER 45 11.003 1.890 -9.228
414 HG SER 45 HG SER 45 8.009 1.800 -10.419
415 HB2 SER 45 2HB SER 45 8.766 -0.109 -9.663
416 HB3 SER 45 1HB SER 45 9.209 0.659 -8.137
417 H LEU 46 H LEU 46 10.766 -0.368 -7.659
418 HA LEU 46 HA LEU 46 12.910 -2.070 -8.674
419 HG LEU 46 HG LEU 46 14.423 -1.147 -6.878
420 HB2 LEU 46 2HB LEU 46 11.634 -1.825 -5.944
421 HB3 LEU 46 1HB LEU 46 12.828 -3.042 -6.338
422 HD11 LEU 46 1HD1 LEU 46 13.937 1.027 -5.870
423 HD12 LEU 46 2HD1 LEU 46 12.307 0.479 -5.481
424 HD13 LEU 46 3HD1 LEU 46 12.805 0.639 -7.165
425 HD21 LEU 46 3HD2 LEU 46 14.952 -0.735 -4.528
426 HD22 LEU 46 1HD2 LEU 46 14.571 -2.431 -4.824
427 HD23 LEU 46 2HD2 LEU 46 13.379 -1.378 -4.063
428 HA PRO 47 HA PRO 47 10.319 -5.274 -10.177
429 HB2 PRO 47 2HB PRO 47 12.095 -7.084 -8.594
430 HB3 PRO 47 1HB PRO 47 11.592 -7.199 -10.284
431 HG2 PRO 47 2HG PRO 47 14.018 -6.327 -9.678
432 HG3 PRO 47 1HG PRO 47 13.086 -5.561 -10.978
433 HD2 PRO 47 2HD PRO 47 13.647 -4.586 -8.218
434 HD3 PRO 47 1HD PRO 47 13.484 -3.667 -9.729
435 H LYS 48 H LYS 48 11.336 -6.009 -6.821
436 HA LYS 48 HA LYS 48 9.047 -7.476 -6.138
437 HB2 LYS 48 2HB LYS 48 9.703 -7.000 -3.772
438 HB3 LYS 48 1HB LYS 48 10.998 -7.654 -4.761
439 HG2 LYS 48 2HG LYS 48 12.091 -5.578 -4.891
440 HG3 LYS 48 1HG LYS 48 10.675 -4.707 -4.300
441 HD2 LYS 48 2HD LYS 48 12.466 -4.942 -2.600
442 HD3 LYS 48 1HD LYS 48 10.937 -5.674 -2.108
443 HE2 LYS 48 2HE LYS 48 11.791 -7.877 -2.768
444 HE3 LYS 48 1HE LYS 48 13.323 -7.133 -3.236
445 HZ1 LYS 48 3HZ LYS 48 13.745 -6.519 -0.999
446 HZ2 LYS 48 1HZ LYS 48 13.320 -8.158 -0.992
447 HZ3 LYS 48 2HZ LYS 48 12.191 -6.995 -0.495
448 H VAL 49 H VAL 49 9.716 -4.035 -6.011
449 HA VAL 49 HA VAL 49 7.477 -3.379 -4.374
450 HB VAL 49 HB VAL 49 9.072 -1.550 -6.177
451 HG11 VAL 49 1HG1 VAL 49 6.974 -0.562 -5.493
452 HG12 VAL 49 2HG1 VAL 49 8.305 0.214 -4.632
453 HG13 VAL 49 3HG1 VAL 49 7.296 -0.978 -3.810
454 HG21 VAL 49 3HG2 VAL 49 9.485 -2.201 -3.260
455 HG22 VAL 49 1HG2 VAL 49 10.392 -1.012 -4.196
456 HG23 VAL 49 2HG2 VAL 49 10.517 -2.728 -4.589
457 H LYS 50 H LYS 50 8.139 -3.234 -7.860
458 HA LYS 50 HA LYS 50 5.718 -2.039 -8.628
459 HB2 LYS 50 2HB LYS 50 7.594 -2.178 -10.161
460 HB3 LYS 50 1HB LYS 50 7.518 -3.936 -10.149
461 HG2 LYS 50 2HG LYS 50 5.420 -3.919 -11.301
462 HG3 LYS 50 1HG LYS 50 5.300 -2.166 -11.152
463 HD2 LYS 50 2HD LYS 50 7.214 -1.870 -12.600
464 HD3 LYS 50 1HD LYS 50 7.465 -3.616 -12.673
465 HE2 LYS 50 2HE LYS 50 5.317 -3.896 -13.785
466 HE3 LYS 50 1HE LYS 50 5.012 -2.164 -13.665
467 HZ1 LYS 50 3HZ LYS 50 6.708 -1.700 -15.192
468 HZ2 LYS 50 1HZ LYS 50 5.862 -3.005 -15.861
469 HZ3 LYS 50 2HZ LYS 50 7.360 -3.263 -15.103
470 H GLN 51 H GLN 51 6.632 -5.458 -8.355
471 HA GLN 51 HA GLN 51 4.139 -6.523 -9.117
472 HB2 GLN 51 2HB GLN 51 6.577 -7.518 -7.784
473 HB3 GLN 51 1HB GLN 51 5.107 -8.410 -7.423
474 HG2 GLN 51 2HG GLN 51 6.395 -9.337 -9.314
475 HG3 GLN 51 1HG GLN 51 4.743 -8.889 -9.732
476 HE21 GLN 51 1HE2 GLN 51 4.379 -7.173 -11.098
477 HE22 GLN 51 2HE2 GLN 51 5.627 -6.492 -12.090
478 H ALA 52 H ALA 52 5.464 -5.702 -5.932
479 HA ALA 52 HA ALA 52 3.306 -6.565 -4.380
480 HB1 ALA 52 3HB ALA 52 5.145 -4.242 -3.825
481 HB2 ALA 52 1HB ALA 52 5.481 -5.932 -3.447
482 HB3 ALA 52 2HB ALA 52 4.149 -5.096 -2.644
483 H ILE 53 H ILE 53 3.923 -3.384 -5.856
484 HA ILE 53 HA ILE 53 1.645 -2.091 -4.852
485 HB ILE 53 HB ILE 53 3.227 -1.593 -7.375
486 HG12 ILE 53 2HG1 ILE 53 3.156 -0.136 -4.725
487 HG13 ILE 53 1HG1 ILE 53 4.398 -1.284 -5.212
488 HG21 ILE 53 1HG2 ILE 53 2.149 0.584 -7.511
489 HG22 ILE 53 2HG2 ILE 53 1.126 0.178 -6.133
490 HG23 ILE 53 3HG2 ILE 53 0.959 -0.712 -7.646
491 HD11 ILE 53 3HD1 ILE 53 5.048 0.190 -7.040
492 HD12 ILE 53 1HD1 ILE 53 5.148 1.010 -5.483
493 HD13 ILE 53 2HD1 ILE 53 3.795 1.335 -6.564
494 H LEU 54 H LEU 54 2.107 -4.028 -7.781
495 HA LEU 54 HA LEU 54 -0.465 -3.571 -8.866
496 HG LEU 54 HG LEU 54 2.361 -3.790 -10.085
497 HB2 LEU 54 2HB LEU 54 1.423 -5.900 -9.234
498 HB3 LEU 54 1HB LEU 54 -0.024 -5.638 -10.187
499 HD11 LEU 54 1HD1 LEU 54 1.424 -5.702 -12.212
500 HD12 LEU 54 2HD1 LEU 54 2.890 -5.840 -11.243
501 HD13 LEU 54 3HD1 LEU 54 2.720 -4.522 -12.403
502 HD21 LEU 54 3HD2 LEU 54 1.265 -2.597 -11.898
503 HD22 LEU 54 1HD2 LEU 54 0.252 -2.604 -10.454
504 HD23 LEU 54 2HD2 LEU 54 -0.119 -3.687 -11.796
505 H GLU 55 H GLU 55 0.811 -6.146 -6.779
506 HA GLU 55 HA GLU 55 -1.634 -7.554 -6.551
507 HB2 GLU 55 2HB GLU 55 0.985 -7.605 -5.180
508 HB3 GLU 55 1HB GLU 55 -0.378 -8.223 -4.257
509 HG2 GLU 55 2HG GLU 55 0.644 -10.052 -5.371
510 HG3 GLU 55 1HG GLU 55 -0.902 -9.736 -6.147
511 H LEU 56 H LEU 56 -0.212 -4.917 -4.675
512 HA LEU 56 HA LEU 56 -2.140 -4.909 -2.618
513 HG LEU 56 HG LEU 56 0.917 -4.301 -2.590
514 HB2 LEU 56 2HB LEU 56 -0.454 -2.663 -3.727
515 HB3 LEU 56 1HB LEU 56 -1.482 -2.494 -2.318
516 HD11 LEU 56 1HD1 LEU 56 1.493 -1.978 -2.261
517 HD12 LEU 56 2HD1 LEU 56 1.816 -2.891 -0.786
518 HD13 LEU 56 3HD1 LEU 56 0.384 -1.866 -0.895
519 HD21 LEU 56 3HD2 LEU 56 -0.847 -5.385 -1.272
520 HD22 LEU 56 1HD2 LEU 56 -0.948 -3.961 -0.237
521 HD23 LEU 56 2HD2 LEU 56 0.527 -4.928 -0.267
522 H ASN 57 H ASN 57 -1.998 -3.146 -5.705
523 HA ASN 57 HA ASN 57 -4.435 -1.781 -5.443
524 HB2 ASN 57 2HB ASN 57 -2.743 -2.595 -7.758
525 HB3 ASN 57 1HB ASN 57 -4.384 -2.055 -8.086
526 HD21 ASN 57 1HD2 ASN 57 -1.225 -1.129 -7.001
527 HD22 ASN 57 2HD2 ASN 57 -1.499 0.581 -7.034
528 H GLU 58 H GLU 58 -3.715 -5.049 -6.453
529 HA GLU 58 HA GLU 58 -6.257 -5.803 -7.390
530 HB2 GLU 58 2HB GLU 58 -4.125 -7.121 -7.587
531 HB3 GLU 58 1HB GLU 58 -4.274 -7.524 -5.885
532 HG2 GLU 58 2HG GLU 58 -6.423 -8.617 -6.354
533 HG3 GLU 58 1HG GLU 58 -6.200 -8.272 -8.070
534 H LEU 59 H LEU 59 -4.765 -6.168 -4.204
535 HA LEU 59 HA LEU 59 -6.972 -7.196 -2.833
536 HG LEU 59 HG LEU 59 -6.540 -5.844 -0.075
537 HB2 LEU 59 2HB LEU 59 -4.628 -7.165 -2.008
538 HB3 LEU 59 1HB LEU 59 -4.770 -5.439 -1.746
539 HD11 LEU 59 1HD1 LEU 59 -7.407 -7.950 -0.938
540 HD12 LEU 59 2HD1 LEU 59 -6.920 -8.116 0.749
541 HD13 LEU 59 3HD1 LEU 59 -5.890 -8.753 -0.532
542 HD21 LEU 59 3HD2 LEU 59 -3.982 -7.355 0.428
543 HD22 LEU 59 1HD2 LEU 59 -5.087 -6.752 1.660
544 HD23 LEU 59 2HD2 LEU 59 -4.214 -5.619 0.629
545 H ILE 60 H ILE 60 -5.968 -3.853 -3.407
546 HA ILE 60 HA ILE 60 -7.899 -2.544 -1.861
547 HB ILE 60 HB ILE 60 -6.693 -1.644 -4.490
548 HG12 ILE 60 2HG1 ILE 60 -5.880 -0.947 -1.665
549 HG13 ILE 60 1HG1 ILE 60 -5.069 -2.157 -2.655
550 HG21 ILE 60 1HG2 ILE 60 -8.706 -0.391 -3.967
551 HG22 ILE 60 2HG2 ILE 60 -7.277 0.623 -3.766
552 HG23 ILE 60 3HG2 ILE 60 -8.092 -0.044 -2.352
553 HD11 ILE 60 3HD1 ILE 60 -3.869 -0.049 -2.660
554 HD12 ILE 60 1HD1 ILE 60 -5.291 0.777 -3.288
555 HD13 ILE 60 2HD1 ILE 60 -4.468 -0.434 -4.272
556 H GLU 61 H GLU 61 -7.986 -3.416 -5.314
557 HA GLU 61 HA GLU 61 -10.616 -2.439 -5.711
558 HB2 GLU 61 2HB GLU 61 -8.663 -3.022 -7.409
559 HB3 GLU 61 1HB GLU 61 -9.509 -4.563 -7.483
560 HG2 GLU 61 2HG GLU 61 -10.313 -3.191 -9.252
561 HG3 GLU 61 1HG GLU 61 -11.588 -3.327 -8.042
562 H ALA 62 H ALA 62 -9.325 -5.507 -4.673
563 HA ALA 62 HA ALA 62 -11.672 -7.053 -5.088
564 HB1 ALA 62 3HB ALA 62 -10.636 -8.694 -3.629
565 HB2 ALA 62 1HB ALA 62 -9.450 -7.503 -3.099
566 HB3 ALA 62 2HB ALA 62 -9.456 -8.057 -4.773
567 H GLN 63 H GLN 63 -10.635 -4.892 -2.556
568 HA GLN 63 HA GLN 63 -12.812 -5.675 -0.803
569 HB2 GLN 63 2HB GLN 63 -10.721 -3.508 -0.599
570 HB3 GLN 63 1HB GLN 63 -11.960 -3.791 0.620
571 HG2 GLN 63 2HG GLN 63 -11.126 -6.053 0.940
572 HG3 GLN 63 1HG GLN 63 -9.881 -5.775 -0.270
573 HE21 GLN 63 1HE2 GLN 63 -8.128 -4.504 0.231
574 HE22 GLN 63 2HE2 GLN 63 -7.757 -4.016 1.846
575 H ASN 64 H ASN 64 -12.246 -3.478 -3.329
576 HA ASN 64 HA ASN 64 -14.509 -1.768 -2.717
577 HB2 ASN 64 2HB ASN 64 -12.848 -2.023 -5.239
578 HB3 ASN 64 1HB ASN 64 -14.095 -0.810 -4.974
579 HD21 ASN 64 1HD2 ASN 64 -11.311 -0.443 -5.572
580 HD22 ASN 64 2HD2 ASN 64 -10.635 0.449 -4.244
581 H HIS 65 H HIS 65 -13.672 -4.265 -5.056
582 HA HIS 65 HA HIS 65 -16.522 -4.654 -5.672
583 HD1 HIS 65 HD1 HIS 65 -14.825 -4.561 -9.936
584 HD2 HIS 65 HD2 HIS 65 -15.407 -2.220 -6.547
585 HE1 HIS 65 HE1 HIS 65 -14.870 -2.180 -10.750
586 HE2 HIS 65 HE2 HIS 65 -15.072 -0.778 -8.666
587 HB2 HIS 65 2HB HIS 65 -14.084 -5.515 -7.257
588 HB3 HIS 65 1HB HIS 65 -15.752 -5.818 -7.713
589 H GLN 66 H GLN 66 -16.581 -5.795 -3.601
590 HA GLN 66 HA GLN 66 -15.109 -8.043 -2.942
591 HB2 GLN 66 2HB GLN 66 -18.021 -7.483 -2.356
592 HB3 GLN 66 1HB GLN 66 -17.064 -8.734 -1.574
593 HG2 GLN 66 2HG GLN 66 -15.551 -6.986 -0.712
594 HG3 GLN 66 1HG GLN 66 -16.600 -5.764 -1.427
595 HE21 GLN 66 1HE2 GLN 66 -17.777 -8.707 0.041
596 HE22 GLN 66 2HE2 GLN 66 -18.534 -7.952 1.403
597 H THR 67 H THR 67 -15.347 -10.235 -3.266
598 HA THR 67 HA THR 67 -16.382 -10.957 -5.835
599 HB THR 67 HB THR 67 -15.618 -13.311 -5.015
600 HG1 THR 67 HG1 THR 67 -13.783 -12.235 -3.346
601 HG21 THR 67 3HG2 THR 67 -14.416 -11.945 -6.661
602 HG22 THR 67 1HG2 THR 67 -13.298 -12.781 -5.584
603 HG23 THR 67 2HG2 THR 67 -13.626 -11.064 -5.354
604 H LYS 68 H LYS 68 -18.567 -10.202 -4.973
605 HA LYS 68 HA LYS 68 -20.082 -12.576 -4.139
606 HB2 LYS 68 2HB LYS 68 -19.988 -11.139 -2.201
607 HB3 LYS 68 1HB LYS 68 -20.425 -9.734 -3.161
608 HG2 LYS 68 2HG LYS 68 -22.640 -10.769 -3.578
609 HG3 LYS 68 1HG LYS 68 -22.191 -12.081 -2.486
610 HD2 LYS 68 2HD LYS 68 -22.066 -10.618 -0.629
611 HD3 LYS 68 1HD LYS 68 -22.125 -9.187 -1.660
612 HE2 LYS 68 2HE LYS 68 -24.423 -9.779 -2.310
613 HE3 LYS 68 1HE LYS 68 -24.356 -11.170 -1.228
614 HZ1 LYS 68 3HZ LYS 68 -24.210 -9.760 0.648
615 HZ2 LYS 68 1HZ LYS 68 -25.468 -9.138 -0.307
616 HZ3 LYS 68 2HZ LYS 68 -23.949 -8.380 -0.299
617 H THR 69 H THR 69 -20.590 -12.976 -6.301
618 HA THR 69 HA THR 69 -22.022 -10.895 -7.771
619 HB THR 69 HB THR 69 -21.417 -13.702 -8.712
620 HG1 THR 69 HG1 THR 69 -19.744 -11.584 -8.286
621 HG21 THR 69 3HG2 THR 69 -23.113 -12.458 -9.995
622 HG22 THR 69 1HG2 THR 69 -21.642 -12.718 -10.936
623 HG23 THR 69 2HG2 THR 69 -21.962 -11.138 -10.220
624 H ALA 70 H ALA 70 -23.906 -10.763 -6.582
625 HA ALA 70 HA ALA 70 -25.856 -12.841 -7.119
626 HB1 ALA 70 3HB ALA 70 -24.916 -13.591 -5.002
627 HB2 ALA 70 1HB ALA 70 -26.566 -13.015 -4.775
628 HB3 ALA 70 2HB ALA 70 -25.206 -12.002 -4.290
629 H LEU 71 H LEU 71 -28.057 -12.112 -6.390
630 HA LEU 71 HA LEU 71 -28.389 -9.337 -7.133
631 HG LEU 71 HG LEU 71 -29.269 -12.049 -8.470
632 HB2 LEU 71 2HB LEU 71 -30.444 -11.423 -6.389
633 HB3 LEU 71 1HB LEU 71 -30.794 -9.844 -7.068
634 HD11 LEU 71 1HD1 LEU 71 -32.068 -11.015 -8.912
635 HD12 LEU 71 2HD1 LEU 71 -31.637 -12.581 -8.224
636 HD13 LEU 71 3HD1 LEU 71 -31.236 -12.216 -9.902
637 HD21 LEU 71 3HD2 LEU 71 -30.192 -9.349 -9.443
638 HD22 LEU 71 1HD2 LEU 71 -29.472 -10.610 -10.444
639 HD23 LEU 71 2HD2 LEU 71 -28.523 -9.847 -9.170
640 H GLU 72 H GLU 72 -30.106 -8.074 -5.812
641 HA GLU 72 HA GLU 72 -29.239 -8.210 -3.026
642 HB2 GLU 72 2HB GLU 72 -28.770 -6.096 -4.241
643 HB3 GLU 72 1HB GLU 72 -30.493 -5.885 -4.502
644 HG2 GLU 72 2HG GLU 72 -29.313 -4.632 -2.565
645 HG3 GLU 72 1HG GLU 72 -30.904 -5.347 -2.309
646 H HIS 73 H HIS 73 -30.867 -10.077 -3.542
647 HA HIS 73 HA HIS 73 -32.668 -11.119 -2.615
648 HD1 HIS 73 HD1 HIS 73 -30.924 -8.155 -0.132
649 HD2 HIS 73 HD2 HIS 73 -32.672 -11.896 0.410
650 HE1 HIS 73 HE1 HIS 73 -29.585 -9.282 1.670
651 HE2 HIS 73 HE2 HIS 73 -30.747 -11.481 2.088
652 HB2 HIS 73 2HB HIS 73 -33.150 -8.415 -1.343
653 HB3 HIS 73 1HB HIS 73 -34.105 -9.850 -0.991
654 H HIS 74 H HIS 74 -32.742 -10.063 -5.211
655 HA HIS 74 HA HIS 74 -35.522 -9.164 -5.507
656 HD1 HIS 74 HD1 HIS 74 -33.916 -9.091 -9.777
657 HD2 HIS 74 HD2 HIS 74 -36.827 -7.388 -7.336
658 HE1 HIS 74 HE1 HIS 74 -35.813 -8.477 -11.308
659 HE2 HIS 74 HE2 HIS 74 -37.490 -7.300 -9.838
660 HB2 HIS 74 2HB HIS 74 -33.928 -7.639 -6.519
661 HB3 HIS 74 1HB HIS 74 -33.181 -8.957 -7.414
Start of MODEL 20
1 HA MET 1 HA MET 1 3.128 8.594 6.244
2 H1 MET 1 1H MET 1 3.398 10.863 6.989
3 H2 MET 1 2H MET 1 3.772 10.331 8.551
4 H3 MET 1 3H MET 1 2.227 10.058 7.911
5 HB2 MET 1 2HB MET 1 5.749 9.171 7.640
6 HB3 MET 1 1HB MET 1 5.514 7.865 6.489
7 HG2 MET 1 2HG MET 1 4.950 9.514 4.762
8 HG3 MET 1 1HG MET 1 5.239 10.807 5.922
9 HE1 MET 1 3HE MET 1 9.085 10.252 6.680
10 HE2 MET 1 1HE MET 1 7.717 9.530 7.528
11 HE3 MET 1 2HE MET 1 7.667 11.230 7.063
12 H ARG 2 H ARG 2 3.481 6.337 6.657
13 HA ARG 2 HA ARG 2 3.510 5.584 9.499
14 HE ARG 2 HE ARG 2 -0.125 4.537 11.262
15 HB2 ARG 2 2HB ARG 2 1.187 5.471 8.625
16 HB3 ARG 2 1HB ARG 2 1.727 4.347 7.388
17 HG2 ARG 2 2HG ARG 2 0.647 3.173 9.212
18 HG3 ARG 2 1HG ARG 2 2.354 2.736 9.112
19 HD2 ARG 2 2HD ARG 2 1.818 3.056 11.415
20 HD3 ARG 2 1HD ARG 2 2.808 4.419 10.897
21 HH11 ARG 2 1HH1 ARG 2 3.049 6.043 11.352
22 HH12 ARG 2 2HH1 ARG 2 2.441 7.540 12.001
23 HH21 ARG 2 1HH2 ARG 2 -0.894 6.477 12.140
24 HH22 ARG 2 2HH2 ARG 2 0.213 7.770 12.488
25 H VAL 3 H VAL 3 5.079 4.177 9.920
26 HA VAL 3 HA VAL 3 6.400 2.870 7.643
27 HB VAL 3 HB VAL 3 7.479 3.430 10.413
28 HG11 VAL 3 1HG1 VAL 3 8.873 2.372 7.953
29 HG12 VAL 3 2HG1 VAL 3 8.517 1.458 9.421
30 HG13 VAL 3 3HG1 VAL 3 9.655 2.805 9.473
31 HG21 VAL 3 3HG2 VAL 3 8.871 5.114 9.276
32 HG22 VAL 3 1HG2 VAL 3 7.149 5.476 9.163
33 HG23 VAL 3 2HG2 VAL 3 8.001 4.799 7.774
34 H PHE 4 H PHE 4 6.386 0.749 7.416
35 HA PHE 4 HA PHE 4 5.495 -0.941 9.663
36 HD1 PHE 4 HD2 PHE 4 3.594 0.711 6.934
37 HD2 PHE 4 HD1 PHE 4 3.021 -2.966 8.998
38 HE1 PHE 4 HE2 PHE 4 1.242 1.305 7.338
39 HE2 PHE 4 HE1 PHE 4 0.668 -2.377 9.403
40 HZ PHE 4 HZ PHE 4 -0.224 -0.240 8.572
41 HB2 PHE 4 2HB PHE 4 5.150 -1.244 6.682
42 HB3 PHE 4 1HB PHE 4 4.987 -2.613 7.773
43 HA PRO 5 HA PRO 5 9.728 -2.398 9.558
44 HB2 PRO 5 2HB PRO 5 8.728 -4.431 11.434
45 HB3 PRO 5 1HB PRO 5 9.970 -3.199 11.673
46 HG2 PRO 5 2HG PRO 5 7.570 -3.029 12.867
47 HG3 PRO 5 1HG PRO 5 8.444 -1.590 12.313
48 HD2 PRO 5 2HD PRO 5 6.147 -3.023 11.033
49 HD3 PRO 5 1HD PRO 5 6.442 -1.276 11.188
50 H VAL 6 H VAL 6 6.870 -4.317 9.062
51 HA VAL 6 HA VAL 6 8.435 -6.214 7.453
52 HB VAL 6 HB VAL 6 7.726 -7.283 9.576
53 HG11 VAL 6 1HG1 VAL 6 5.715 -6.056 10.049
54 HG12 VAL 6 2HG1 VAL 6 5.333 -7.774 9.940
55 HG13 VAL 6 3HG1 VAL 6 4.939 -6.696 8.602
56 HG21 VAL 6 3HG2 VAL 6 6.356 -8.345 7.109
57 HG22 VAL 6 1HG2 VAL 6 6.666 -9.268 8.580
58 HG23 VAL 6 2HG2 VAL 6 8.015 -8.668 7.614
59 H TYR 7 H TYR 7 7.488 -6.879 5.540
60 HA TYR 7 HA TYR 7 5.546 -5.268 4.311
61 HD1 TYR 7 HD1 TYR 7 5.226 -4.983 1.887
62 HD2 TYR 7 HD2 TYR 7 5.154 -9.229 2.161
63 HE1 TYR 7 HE1 TYR 7 3.691 -5.078 -0.033
64 HE2 TYR 7 HE2 TYR 7 3.619 -9.333 0.248
65 HH TYR 7 HH TYR 7 2.013 -7.930 -0.895
66 HB2 TYR 7 2HB TYR 7 7.151 -6.554 3.005
67 HB3 TYR 7 1HB TYR 7 6.487 -8.062 3.615
68 H ALA 8 H ALA 8 3.658 -5.096 5.421
69 HA ALA 8 HA ALA 8 2.069 -7.561 5.693
70 HB1 ALA 8 3HB ALA 8 2.651 -6.615 7.876
71 HB2 ALA 8 1HB ALA 8 0.914 -6.520 7.576
72 HB3 ALA 8 2HB ALA 8 1.917 -5.081 7.407
73 HA PRO 9 HA PRO 9 0.256 -5.037 2.259
74 HB2 PRO 9 2HB PRO 9 -1.268 -7.253 1.481
75 HB3 PRO 9 1HB PRO 9 0.281 -6.774 0.811
76 HG2 PRO 9 2HG PRO 9 -0.329 -8.835 2.860
77 HG3 PRO 9 1HG PRO 9 0.901 -8.848 1.582
78 HD2 PRO 9 2HD PRO 9 1.556 -8.389 4.128
79 HD3 PRO 9 1HD PRO 9 2.361 -7.521 2.804
80 H LYS 10 H LYS 10 -1.554 -7.504 3.979
81 HA LYS 10 HA LYS 10 -4.117 -6.581 3.660
82 HB2 LYS 10 2HB LYS 10 -3.181 -8.729 4.779
83 HB3 LYS 10 1HB LYS 10 -3.238 -7.790 6.263
84 HG2 LYS 10 2HG LYS 10 -5.225 -9.138 6.054
85 HG3 LYS 10 1HG LYS 10 -5.644 -7.428 5.917
86 HD2 LYS 10 2HD LYS 10 -5.923 -7.584 3.578
87 HD3 LYS 10 1HD LYS 10 -5.138 -9.164 3.515
88 HE2 LYS 10 2HE LYS 10 -7.740 -8.617 4.933
89 HE3 LYS 10 1HE LYS 10 -7.614 -9.261 3.295
90 HZ1 LYS 10 3HZ LYS 10 -6.457 -11.174 4.133
91 HZ2 LYS 10 1HZ LYS 10 -7.909 -10.999 4.990
92 HZ3 LYS 10 2HZ LYS 10 -6.445 -10.546 5.708
93 H LEU 11 H LEU 11 -1.875 -5.757 6.288
94 HA LEU 11 HA LEU 11 -3.705 -4.116 7.695
95 HG LEU 11 HG LEU 11 -2.827 -5.121 9.769
96 HB2 LEU 11 2HB LEU 11 -0.706 -4.346 7.765
97 HB3 LEU 11 1HB LEU 11 -1.564 -3.184 8.754
98 HD11 LEU 11 1HD1 LEU 11 -0.710 -6.733 8.357
99 HD12 LEU 11 2HD1 LEU 11 -2.440 -6.769 8.021
100 HD13 LEU 11 3HD1 LEU 11 -1.830 -7.341 9.574
101 HD21 LEU 11 3HD2 LEU 11 -0.999 -4.026 10.931
102 HD22 LEU 11 1HD2 LEU 11 0.169 -5.054 10.097
103 HD23 LEU 11 2HD2 LEU 11 -0.974 -5.765 11.238
104 H ILE 12 H ILE 12 -1.131 -3.398 5.373
105 HA ILE 12 HA ILE 12 -1.254 -0.609 5.470
106 HB ILE 12 HB ILE 12 -0.559 -2.399 3.137
107 HG12 ILE 12 2HG1 ILE 12 1.219 -0.958 5.117
108 HG13 ILE 12 1HG1 ILE 12 0.840 -2.676 5.175
109 HG21 ILE 12 1HG2 ILE 12 -1.125 -0.182 2.330
110 HG22 ILE 12 2HG2 ILE 12 0.618 -0.435 2.223
111 HG23 ILE 12 3HG2 ILE 12 -0.052 0.551 3.524
112 HD11 ILE 12 3HD1 ILE 12 1.928 -2.979 3.009
113 HD12 ILE 12 1HD1 ILE 12 3.025 -2.292 4.209
114 HD13 ILE 12 2HD1 ILE 12 2.313 -1.258 2.969
115 H VAL 13 H VAL 13 -2.909 -2.862 3.273
116 HA VAL 13 HA VAL 13 -4.220 -0.917 1.741
117 HB VAL 13 HB VAL 13 -4.926 -3.806 2.250
118 HG11 VAL 13 1HG1 VAL 13 -6.933 -2.620 1.558
119 HG12 VAL 13 2HG1 VAL 13 -6.355 -3.670 0.265
120 HG13 VAL 13 3HG1 VAL 13 -6.069 -1.932 0.183
121 HG21 VAL 13 3HG2 VAL 13 -3.542 -2.419 -0.044
122 HG22 VAL 13 1HG2 VAL 13 -3.974 -4.128 0.002
123 HG23 VAL 13 2HG2 VAL 13 -2.796 -3.485 1.146
124 H LYS 14 H LYS 14 -5.334 -2.681 4.628
125 HA LYS 14 HA LYS 14 -7.999 -1.705 4.427
126 HB2 LYS 14 2HB LYS 14 -7.425 -3.797 5.596
127 HB3 LYS 14 1HB LYS 14 -6.588 -2.873 6.833
128 HG2 LYS 14 2HG LYS 14 -8.547 -2.056 7.739
129 HG3 LYS 14 1HG LYS 14 -9.461 -2.311 6.251
130 HD2 LYS 14 2HD LYS 14 -8.366 -4.566 7.931
131 HD3 LYS 14 1HD LYS 14 -9.989 -3.902 8.143
132 HE2 LYS 14 2HE LYS 14 -10.535 -4.473 5.835
133 HE3 LYS 14 1HE LYS 14 -8.904 -5.093 5.590
134 HZ1 LYS 14 3HZ LYS 14 -10.879 -6.193 7.525
135 HZ2 LYS 14 1HZ LYS 14 -9.329 -6.811 7.216
136 HZ3 LYS 14 2HZ LYS 14 -10.515 -6.860 6.009
137 H HIS 15 H HIS 15 -5.093 -0.452 5.909
138 HA HIS 15 HA HIS 15 -6.577 1.596 7.333
139 HD1 HIS 15 HD1 HIS 15 -5.792 2.163 9.979
140 HD2 HIS 15 HD2 HIS 15 -3.588 -1.158 8.766
141 HE1 HIS 15 HE1 HIS 15 -5.743 0.613 11.958
142 HE2 HIS 15 HE2 HIS 15 -4.258 -1.294 11.261
143 HB2 HIS 15 2HB HIS 15 -3.647 0.969 7.070
144 HB3 HIS 15 1HB HIS 15 -4.202 2.472 7.791
145 H ALA 16 H ALA 16 -4.988 1.167 4.289
146 HA ALA 16 HA ALA 16 -4.433 3.840 3.637
147 HB1 ALA 16 3HB ALA 16 -5.171 1.590 1.769
148 HB2 ALA 16 1HB ALA 16 -3.553 1.942 2.375
149 HB3 ALA 16 2HB ALA 16 -4.370 3.096 1.321
150 H ARG 17 H ARG 17 -7.417 2.101 3.758
151 HA ARG 17 HA ARG 17 -9.054 3.626 2.110
152 HE ARG 17 HE ARG 17 -12.329 0.732 2.637
153 HB2 ARG 17 2HB ARG 17 -9.827 1.592 3.206
154 HB3 ARG 17 1HB ARG 17 -9.678 2.355 4.782
155 HG2 ARG 17 2HG ARG 17 -11.427 3.967 4.134
156 HG3 ARG 17 1HG ARG 17 -11.608 3.114 2.599
157 HD2 ARG 17 2HD ARG 17 -12.011 1.893 5.328
158 HD3 ARG 17 1HD ARG 17 -13.302 2.445 4.260
159 HH11 ARG 17 1HH1 ARG 17 -12.237 0.372 6.125
160 HH12 ARG 17 2HH1 ARG 17 -12.238 -1.367 6.076
161 HH21 ARG 17 1HH2 ARG 17 -12.367 -1.555 2.569
162 HH22 ARG 17 2HH2 ARG 17 -12.312 -2.462 4.055
163 H ILE 18 H ILE 18 -7.870 4.271 5.348
164 HA ILE 18 HA ILE 18 -9.381 6.782 5.477
165 HB ILE 18 HB ILE 18 -7.789 5.371 7.627
166 HG12 ILE 18 2HG1 ILE 18 -10.785 5.527 7.239
167 HG13 ILE 18 1HG1 ILE 18 -9.798 4.123 6.844
168 HG21 ILE 18 1HG2 ILE 18 -8.911 6.891 9.176
169 HG22 ILE 18 2HG2 ILE 18 -9.699 7.695 7.821
170 HG23 ILE 18 3HG2 ILE 18 -7.949 7.778 7.997
171 HD11 ILE 18 3HD1 ILE 18 -9.173 3.907 9.192
172 HD12 ILE 18 1HD1 ILE 18 -10.922 3.849 8.977
173 HD13 ILE 18 2HD1 ILE 18 -10.158 5.315 9.583
174 H PHE 19 H PHE 19 -6.149 5.462 5.423
175 HA PHE 19 HA PHE 19 -4.898 8.048 5.836
176 HD1 PHE 19 HD1 PHE 19 -2.624 8.042 7.602
177 HD2 PHE 19 HD2 PHE 19 -4.840 4.414 7.510
178 HE1 PHE 19 HE1 PHE 19 -2.640 7.998 10.060
179 HE2 PHE 19 HE2 PHE 19 -4.861 4.359 9.968
180 HZ PHE 19 HZ PHE 19 -3.760 6.153 11.247
181 HB2 PHE 19 2HB PHE 19 -3.813 5.253 5.535
182 HB3 PHE 19 1HB PHE 19 -2.765 6.667 5.573
183 H LEU 20 H LEU 20 -6.398 6.919 3.333
184 HA LEU 20 HA LEU 20 -5.121 6.479 1.105
185 HG LEU 20 HG LEU 20 -7.608 8.585 2.736
186 HB2 LEU 20 2HB LEU 20 -6.796 7.949 -0.082
187 HB3 LEU 20 1HB LEU 20 -7.415 6.700 0.975
188 HD11 LEU 20 1HD1 LEU 20 -6.330 10.275 1.525
189 HD12 LEU 20 2HD1 LEU 20 -7.984 10.808 1.818
190 HD13 LEU 20 3HD1 LEU 20 -7.513 10.236 0.219
191 HD21 LEU 20 3HD2 LEU 20 -9.389 8.476 0.307
192 HD22 LEU 20 1HD2 LEU 20 -9.819 9.212 1.853
193 HD23 LEU 20 2HD2 LEU 20 -9.514 7.477 1.757
194 H THR 21 H THR 21 -4.718 9.609 2.653
195 HA THR 21 HA THR 21 -2.974 10.337 0.399
196 HB THR 21 HB THR 21 -4.623 12.031 0.551
197 HG1 THR 21 HG1 THR 21 -2.321 12.934 1.969
198 HG21 THR 21 3HG2 THR 21 -5.195 13.214 2.607
199 HG22 THR 21 1HG2 THR 21 -4.071 12.205 3.514
200 HG23 THR 21 2HG2 THR 21 -5.502 11.485 2.775
201 H GLY 22 H GLY 22 -1.015 9.535 0.955
202 HA2 GLY 22 2HA GLY 22 0.655 10.819 2.721
203 HA3 GLY 22 1HA GLY 22 -0.063 9.518 3.660
204 H VAL 23 H VAL 23 2.194 8.853 3.837
205 HA VAL 23 HA VAL 23 2.996 7.171 1.560
206 HB VAL 23 HB VAL 23 4.990 8.676 3.260
207 HG11 VAL 23 1HG1 VAL 23 5.826 6.647 2.217
208 HG12 VAL 23 2HG1 VAL 23 6.557 8.073 1.479
209 HG13 VAL 23 3HG1 VAL 23 5.267 7.209 0.639
210 HG21 VAL 23 3HG2 VAL 23 3.965 9.434 0.530
211 HG22 VAL 23 1HG2 VAL 23 5.332 10.185 1.352
212 HG23 VAL 23 2HG2 VAL 23 3.709 10.327 2.028
213 H ILE 24 H ILE 24 3.599 5.146 2.134
214 HA ILE 24 HA ILE 24 3.951 4.609 5.006
215 HB ILE 24 HB ILE 24 2.478 3.058 2.908
216 HG12 ILE 24 2HG1 ILE 24 1.912 3.793 5.787
217 HG13 ILE 24 1HG1 ILE 24 1.226 4.560 4.359
218 HG21 ILE 24 1HG2 ILE 24 3.603 1.859 5.433
219 HG22 ILE 24 2HG2 ILE 24 4.083 1.462 3.780
220 HG23 ILE 24 3HG2 ILE 24 2.454 1.081 4.341
221 HD11 ILE 24 3HD1 ILE 24 0.761 1.716 5.228
222 HD12 ILE 24 1HD1 ILE 24 0.069 2.485 3.800
223 HD13 ILE 24 2HD1 ILE 24 -0.365 3.060 5.407
224 H TRP 25 H TRP 25 5.844 3.748 5.584
225 HA TRP 25 HA TRP 25 7.639 2.935 3.409
226 HD1 TRP 25 HD1 TRP 25 6.837 5.928 4.222
227 HE1 TRP 25 HE1 TRP 25 8.069 7.801 2.947
228 HE3 TRP 25 HE3 TRP 25 11.562 4.036 4.411
229 HZ2 TRP 25 HZ2 TRP 25 10.706 8.369 2.106
230 HZ3 TRP 25 HZ3 TRP 25 13.385 5.288 3.339
231 HH2 TRP 25 HH2 TRP 25 12.963 7.412 2.209
232 HB2 TRP 25 2HB TRP 25 8.180 4.098 6.124
233 HB3 TRP 25 1HB TRP 25 9.437 3.257 5.220
234 H VAL 26 H VAL 26 7.749 0.900 3.122
235 HA VAL 26 HA VAL 26 7.708 -0.909 5.453
236 HB VAL 26 HB VAL 26 7.567 -1.775 2.577
237 HG11 VAL 26 1HG1 VAL 26 6.560 -3.790 3.510
238 HG12 VAL 26 2HG1 VAL 26 6.706 -3.110 5.131
239 HG13 VAL 26 3HG1 VAL 26 8.155 -3.489 4.198
240 HG21 VAL 26 3HG2 VAL 26 5.245 -1.170 4.399
241 HG22 VAL 26 1HG2 VAL 26 5.135 -1.891 2.793
242 HG23 VAL 26 2HG2 VAL 26 5.712 -0.234 2.978
243 H LYS 27 H LYS 27 9.375 -2.400 5.712
244 HA LYS 27 HA LYS 27 11.947 -1.435 4.950
245 HB2 LYS 27 2HB LYS 27 11.398 -2.614 7.106
246 HB3 LYS 27 1HB LYS 27 11.280 -4.108 6.187
247 HG2 LYS 27 2HG LYS 27 13.644 -3.769 5.467
248 HG3 LYS 27 1HG LYS 27 13.723 -2.398 6.574
249 HD2 LYS 27 2HD LYS 27 13.166 -5.275 7.306
250 HD3 LYS 27 1HD LYS 27 14.651 -4.381 7.626
251 HE2 LYS 27 2HE LYS 27 11.923 -3.821 8.781
252 HE3 LYS 27 1HE LYS 27 13.308 -4.501 9.632
253 HZ1 LYS 27 3HZ LYS 27 13.212 -2.225 10.184
254 HZ2 LYS 27 1HZ LYS 27 13.011 -1.748 8.569
255 HZ3 LYS 27 2HZ LYS 27 14.495 -2.379 9.087
256 H ASP 28 H ASP 28 9.889 -4.080 3.944
257 HA ASP 28 HA ASP 28 11.822 -5.491 2.436
258 HB2 ASP 28 2HB ASP 28 8.802 -5.556 2.329
259 HB3 ASP 28 1HB ASP 28 9.860 -6.718 1.532
260 H LEU 29 H LEU 29 9.851 -2.748 1.709
261 HA LEU 29 HA LEU 29 10.461 -3.078 -1.156
262 HG LEU 29 HG LEU 29 7.821 -4.166 0.148
263 HB2 LEU 29 2HB LEU 29 8.077 -1.709 0.097
264 HB3 LEU 29 1HB LEU 29 8.413 -1.790 -1.620
265 HD11 LEU 29 1HD1 LEU 29 6.105 -2.788 -1.913
266 HD12 LEU 29 2HD1 LEU 29 5.875 -2.722 -0.166
267 HD13 LEU 29 3HD1 LEU 29 5.688 -4.252 -1.022
268 HD21 LEU 29 3HD2 LEU 29 8.181 -3.951 -2.840
269 HD22 LEU 29 1HD2 LEU 29 7.669 -5.396 -1.966
270 HD23 LEU 29 2HD2 LEU 29 9.284 -4.735 -1.708
271 H GLY 30 H GLY 30 9.401 -0.453 1.003
272 HA2 GLY 30 2HA GLY 30 11.357 1.272 1.216
273 HA3 GLY 30 1HA GLY 30 11.075 1.398 -0.519
274 H ARG 31 H ARG 31 10.180 3.389 -0.715
275 HA ARG 31 HA ARG 31 8.133 4.283 1.101
276 HE ARG 31 HE ARG 31 10.389 8.002 -1.109
277 HB2 ARG 31 2HB ARG 31 8.025 6.285 -0.226
278 HB3 ARG 31 1HB ARG 31 9.719 5.859 -0.036
279 HG2 ARG 31 2HG ARG 31 9.803 4.978 -2.266
280 HG3 ARG 31 1HG ARG 31 8.068 5.196 -2.463
281 HD2 ARG 31 2HD ARG 31 9.266 6.961 -3.609
282 HD3 ARG 31 1HD ARG 31 8.363 7.626 -2.248
283 HH11 ARG 31 1HH1 ARG 31 10.878 6.653 -4.311
284 HH12 ARG 31 2HH1 ARG 31 12.554 7.103 -4.383
285 HH21 ARG 31 1HH2 ARG 31 12.576 8.601 -1.212
286 HH22 ARG 31 2HH2 ARG 31 13.526 8.193 -2.611
287 H LEU 32 H LEU 32 6.027 3.910 0.943
288 HA LEU 32 HA LEU 32 4.927 3.260 -1.709
289 HG LEU 32 HG LEU 32 5.664 0.979 0.309
290 HB2 LEU 32 2HB LEU 32 3.882 2.496 1.023
291 HB3 LEU 32 1HB LEU 32 3.026 2.218 -0.481
292 HD11 LEU 32 1HD1 LEU 32 2.918 -0.221 0.016
293 HD12 LEU 32 2HD1 LEU 32 3.747 0.096 1.539
294 HD13 LEU 32 3HD1 LEU 32 4.398 -1.093 0.411
295 HD21 LEU 32 3HD2 LEU 32 3.965 0.522 -2.142
296 HD22 LEU 32 1HD2 LEU 32 5.443 -0.343 -1.721
297 HD23 LEU 32 2HD2 LEU 32 5.507 1.378 -2.107
298 H GLU 33 H GLU 33 4.593 5.360 -2.331
299 HA GLU 33 HA GLU 33 3.070 7.116 -0.577
300 HB2 GLU 33 2HB GLU 33 5.078 7.936 -1.840
301 HB3 GLU 33 1HB GLU 33 4.177 7.690 -3.327
302 HG2 GLU 33 2HG GLU 33 2.599 9.369 -2.741
303 HG3 GLU 33 1HG GLU 33 3.268 9.507 -1.116
304 H PHE 34 H PHE 34 1.000 7.714 -0.941
305 HA PHE 34 HA PHE 34 -0.332 6.833 -3.363
306 HD1 PHE 34 HD2 PHE 34 -2.549 6.871 0.266
307 HD2 PHE 34 HD1 PHE 34 0.704 4.205 -0.380
308 HE1 PHE 34 HE2 PHE 34 -2.280 6.608 2.694
309 HE2 PHE 34 HE1 PHE 34 0.970 3.936 2.046
310 HZ PHE 34 HZ PHE 34 -0.521 5.140 3.588
311 HB2 PHE 34 2HB PHE 34 -2.162 5.748 -1.921
312 HB3 PHE 34 1HB PHE 34 -0.679 4.841 -2.185
313 H GLU 35 H GLU 35 -2.351 7.762 -3.711
314 HA GLU 35 HA GLU 35 -3.158 9.926 -1.906
315 HB2 GLU 35 2HB GLU 35 -1.576 10.860 -3.600
316 HB3 GLU 35 1HB GLU 35 -2.656 10.305 -4.871
317 HG2 GLU 35 2HG GLU 35 -4.419 11.770 -3.984
318 HG3 GLU 35 1HG GLU 35 -3.288 12.357 -2.763
319 H LYS 36 H LYS 36 -5.329 10.107 -1.786
320 HA LYS 36 HA LYS 36 -7.533 9.627 -2.047
321 HB2 LYS 36 2HB LYS 36 -6.731 9.214 -4.932
322 HB3 LYS 36 1HB LYS 36 -8.390 9.266 -4.358
323 HG2 LYS 36 2HG LYS 36 -8.135 11.564 -3.680
324 HG3 LYS 36 1HG LYS 36 -6.418 11.528 -4.097
325 HD2 LYS 36 2HD LYS 36 -7.680 12.607 -5.865
326 HD3 LYS 36 1HD LYS 36 -7.021 11.076 -6.441
327 HE2 LYS 36 2HE LYS 36 -9.221 11.125 -7.243
328 HE3 LYS 36 1HE LYS 36 -9.274 10.061 -5.839
329 HZ1 LYS 36 3HZ LYS 36 -10.155 12.891 -5.980
330 HZ2 LYS 36 1HZ LYS 36 -10.051 12.010 -4.532
331 HZ3 LYS 36 2HZ LYS 36 -11.131 11.524 -5.745
332 H GLY 37 H GLY 37 -5.427 7.464 -1.627
333 HA2 GLY 37 2HA GLY 37 -5.829 5.255 -0.920
334 HA3 GLY 37 1HA GLY 37 -7.289 5.229 -1.895
335 H ARG 38 H ARG 38 -5.205 6.477 -3.984
336 HA ARG 38 HA ARG 38 -4.585 3.840 -5.128
337 HE ARG 38 HE ARG 38 -3.807 7.474 -8.386
338 HB2 ARG 38 2HB ARG 38 -5.808 5.550 -6.514
339 HB3 ARG 38 1HB ARG 38 -4.373 6.564 -6.438
340 HG2 ARG 38 2HG ARG 38 -3.085 4.751 -7.523
341 HG3 ARG 38 1HG ARG 38 -4.581 3.832 -7.685
342 HD2 ARG 38 2HD ARG 38 -4.219 4.897 -9.763
343 HD3 ARG 38 1HD ARG 38 -5.512 5.789 -8.965
344 HH11 ARG 38 1HH1 ARG 38 -3.115 5.217 -10.961
345 HH12 ARG 38 2HH1 ARG 38 -2.036 6.297 -11.800
346 HH21 ARG 38 1HH2 ARG 38 -2.382 8.907 -9.474
347 HH22 ARG 38 2HH2 ARG 38 -1.623 8.391 -10.956
348 H PHE 39 H PHE 39 -2.783 3.036 -4.757
349 HA PHE 39 HA PHE 39 -0.453 4.236 -3.847
350 HD1 PHE 39 HD1 PHE 39 1.499 2.275 -2.785
351 HD2 PHE 39 HD2 PHE 39 -2.531 1.033 -3.358
352 HE1 PHE 39 HE1 PHE 39 1.441 1.403 -0.488
353 HE2 PHE 39 HE2 PHE 39 -2.589 0.157 -1.061
354 HZ PHE 39 HZ PHE 39 -0.603 0.341 0.377
355 HB2 PHE 39 2HB PHE 39 -1.225 1.711 -5.204
356 HB3 PHE 39 1HB PHE 39 0.502 2.071 -5.048
357 H LEU 40 H LEU 40 0.944 5.553 -4.830
358 HA LEU 40 HA LEU 40 0.560 6.202 -7.608
359 HG LEU 40 HG LEU 40 0.323 7.846 -4.901
360 HB2 LEU 40 2HB LEU 40 2.584 7.233 -5.618
361 HB3 LEU 40 1HB LEU 40 2.279 7.913 -7.205
362 HD11 LEU 40 1HD1 LEU 40 0.613 10.257 -4.876
363 HD12 LEU 40 2HD1 LEU 40 1.809 10.139 -6.164
364 HD13 LEU 40 3HD1 LEU 40 2.144 9.433 -4.582
365 HD21 LEU 40 3HD2 LEU 40 0.057 9.043 -7.654
366 HD22 LEU 40 1HD2 LEU 40 -1.094 9.232 -6.331
367 HD23 LEU 40 2HD2 LEU 40 -0.817 7.641 -7.041
368 H LEU 41 H LEU 41 1.283 4.726 -8.983
369 HA LEU 41 HA LEU 41 4.014 3.711 -8.652
370 HG LEU 41 HG LEU 41 3.996 1.955 -11.230
371 HB2 LEU 41 2HB LEU 41 2.179 2.034 -8.820
372 HB3 LEU 41 1HB LEU 41 1.791 2.659 -10.410
373 HD11 LEU 41 1HD1 LEU 41 4.334 0.799 -8.466
374 HD12 LEU 41 2HD1 LEU 41 5.254 2.137 -9.154
375 HD13 LEU 41 3HD1 LEU 41 5.408 0.518 -9.838
376 HD21 LEU 41 3HD2 LEU 41 2.428 -0.215 -9.846
377 HD22 LEU 41 1HD2 LEU 41 3.587 -0.462 -11.150
378 HD23 LEU 41 2HD2 LEU 41 2.104 0.446 -11.449
379 HA PRO 42 HA PRO 42 4.619 6.739 -11.978
380 HB2 PRO 42 2HB PRO 42 7.415 6.650 -11.227
381 HB3 PRO 42 1HB PRO 42 6.272 7.983 -11.065
382 HG2 PRO 42 2HG PRO 42 7.314 6.611 -8.945
383 HG3 PRO 42 1HG PRO 42 5.747 7.439 -8.914
384 HD2 PRO 42 2HD PRO 42 6.345 4.528 -9.255
385 HD3 PRO 42 1HD PRO 42 5.036 5.317 -8.354
386 H ARG 43 H ARG 43 6.646 6.836 -13.589
387 HA ARG 43 HA ARG 43 6.583 4.425 -15.092
388 HE ARG 43 HE ARG 43 5.622 8.193 -18.808
389 HB2 ARG 43 2HB ARG 43 8.408 6.824 -15.325
390 HB3 ARG 43 1HB ARG 43 8.296 5.534 -16.511
391 HG2 ARG 43 2HG ARG 43 6.025 6.132 -17.023
392 HG3 ARG 43 1HG ARG 43 6.010 7.327 -15.722
393 HD2 ARG 43 2HD ARG 43 7.797 8.566 -16.864
394 HD3 ARG 43 1HD ARG 43 7.771 7.386 -18.171
395 HH11 ARG 43 1HH1 ARG 43 7.133 10.050 -16.262
396 HH12 ARG 43 2HH1 ARG 43 6.187 11.478 -16.551
397 HH21 ARG 43 1HH2 ARG 43 4.373 10.067 -19.204
398 HH22 ARG 43 2HH2 ARG 43 4.635 11.497 -18.243
399 H LYS 44 H LYS 44 8.840 5.846 -12.835
400 HA LYS 44 HA LYS 44 10.769 3.714 -13.246
401 HB2 LYS 44 2HB LYS 44 12.128 4.925 -11.572
402 HB3 LYS 44 1HB LYS 44 11.660 5.949 -12.920
403 HG2 LYS 44 2HG LYS 44 9.915 6.970 -11.565
404 HG3 LYS 44 1HG LYS 44 10.336 5.917 -10.210
405 HD2 LYS 44 2HD LYS 44 12.623 6.907 -10.242
406 HD3 LYS 44 1HD LYS 44 12.065 8.040 -11.477
407 HE2 LYS 44 2HE LYS 44 11.964 9.119 -9.334
408 HE3 LYS 44 1HE LYS 44 10.321 8.822 -9.900
409 HZ1 LYS 44 3HZ LYS 44 11.797 7.166 -7.918
410 HZ2 LYS 44 1HZ LYS 44 10.217 6.873 -8.459
411 HZ3 LYS 44 2HZ LYS 44 10.560 8.270 -7.560
412 H SER 45 H SER 45 10.426 1.835 -12.284
413 HA SER 45 HA SER 45 9.994 1.718 -9.457
414 HG SER 45 HG SER 45 7.795 1.499 -12.233
415 HB2 SER 45 2HB SER 45 7.943 0.228 -9.694
416 HB3 SER 45 1HB SER 45 7.687 1.945 -9.996
417 H LEU 46 H LEU 46 11.152 0.090 -8.714
418 HA LEU 46 HA LEU 46 12.405 -1.790 -10.425
419 HG LEU 46 HG LEU 46 14.465 -1.076 -9.243
420 HB2 LEU 46 2HB LEU 46 12.141 -1.677 -7.420
421 HB3 LEU 46 1HB LEU 46 13.043 -2.927 -8.251
422 HD11 LEU 46 1HD1 LEU 46 12.954 0.791 -8.835
423 HD12 LEU 46 2HD1 LEU 46 14.513 1.050 -8.052
424 HD13 LEU 46 3HD1 LEU 46 13.117 0.550 -7.096
425 HD21 LEU 46 3HD2 LEU 46 15.270 -2.498 -7.461
426 HD22 LEU 46 1HD2 LEU 46 14.464 -1.490 -6.259
427 HD23 LEU 46 2HD2 LEU 46 15.808 -0.839 -7.197
428 HA PRO 47 HA PRO 47 9.222 -4.708 -11.206
429 HB2 PRO 47 2HB PRO 47 11.413 -6.688 -10.729
430 HB3 PRO 47 1HB PRO 47 10.264 -6.582 -12.068
431 HG2 PRO 47 2HG PRO 47 12.771 -5.755 -12.378
432 HG3 PRO 47 1HG PRO 47 11.421 -4.864 -13.104
433 HD2 PRO 47 2HD PRO 47 13.082 -4.181 -10.732
434 HD3 PRO 47 1HD PRO 47 12.303 -3.110 -11.912
435 H LYS 48 H LYS 48 11.443 -5.518 -8.550
436 HA LYS 48 HA LYS 48 9.830 -7.369 -7.221
437 HB2 LYS 48 2HB LYS 48 12.191 -7.053 -6.704
438 HB3 LYS 48 1HB LYS 48 11.867 -5.435 -6.101
439 HG2 LYS 48 2HG LYS 48 10.532 -6.378 -4.284
440 HG3 LYS 48 1HG LYS 48 10.867 -8.004 -4.889
441 HD2 LYS 48 2HD LYS 48 13.255 -7.648 -4.538
442 HD3 LYS 48 1HD LYS 48 12.933 -6.013 -3.961
443 HE2 LYS 48 2HE LYS 48 11.664 -6.908 -2.086
444 HE3 LYS 48 1HE LYS 48 11.933 -8.549 -2.676
445 HZ1 LYS 48 3HZ LYS 48 14.034 -6.655 -1.766
446 HZ2 LYS 48 1HZ LYS 48 14.315 -8.213 -2.380
447 HZ3 LYS 48 2HZ LYS 48 13.482 -8.018 -0.915
448 H VAL 49 H VAL 49 10.074 -3.857 -6.747
449 HA VAL 49 HA VAL 49 8.083 -3.829 -4.677
450 HB VAL 49 HB VAL 49 9.186 -1.498 -6.259
451 HG11 VAL 49 1HG1 VAL 49 7.792 -1.589 -3.585
452 HG12 VAL 49 2HG1 VAL 49 7.121 -0.965 -5.089
453 HG13 VAL 49 3HG1 VAL 49 8.488 -0.152 -4.334
454 HG21 VAL 49 3HG2 VAL 49 10.994 -2.722 -5.187
455 HG22 VAL 49 1HG2 VAL 49 10.143 -2.662 -3.643
456 HG23 VAL 49 2HG2 VAL 49 10.734 -1.174 -4.383
457 H LYS 50 H LYS 50 8.229 -3.053 -8.101
458 HA LYS 50 HA LYS 50 5.720 -1.895 -8.457
459 HB2 LYS 50 2HB LYS 50 7.538 -1.923 -10.136
460 HB3 LYS 50 1HB LYS 50 7.278 -3.642 -10.374
461 HG2 LYS 50 2HG LYS 50 5.017 -3.170 -11.200
462 HG3 LYS 50 1HG LYS 50 5.324 -1.440 -11.009
463 HD2 LYS 50 2HD LYS 50 7.196 -1.604 -12.579
464 HD3 LYS 50 1HD LYS 50 6.888 -3.330 -12.769
465 HE2 LYS 50 2HE LYS 50 5.925 -2.185 -14.636
466 HE3 LYS 50 1HE LYS 50 4.615 -2.765 -13.609
467 HZ1 LYS 50 3HZ LYS 50 5.663 0.011 -13.745
468 HZ2 LYS 50 1HZ LYS 50 4.491 -0.520 -12.647
469 HZ3 LYS 50 2HZ LYS 50 4.157 -0.533 -14.302
470 H GLN 51 H GLN 51 6.712 -5.292 -8.712
471 HA GLN 51 HA GLN 51 4.211 -6.361 -9.406
472 HB2 GLN 51 2HB GLN 51 6.330 -7.578 -9.653
473 HB3 GLN 51 1HB GLN 51 6.500 -7.646 -7.904
474 HG2 GLN 51 2HG GLN 51 4.442 -8.993 -7.786
475 HG3 GLN 51 1HG GLN 51 4.358 -8.976 -9.548
476 HE21 GLN 51 1HE2 GLN 51 4.663 -11.210 -7.673
477 HE22 GLN 51 2HE2 GLN 51 6.114 -12.027 -8.148
478 H ALA 52 H ALA 52 5.716 -5.755 -6.264
479 HA ALA 52 HA ALA 52 3.730 -6.981 -4.678
480 HB1 ALA 52 3HB ALA 52 5.594 -4.715 -3.981
481 HB2 ALA 52 1HB ALA 52 5.932 -6.434 -3.798
482 HB3 ALA 52 2HB ALA 52 4.669 -5.675 -2.829
483 H ILE 53 H ILE 53 4.112 -3.687 -5.898
484 HA ILE 53 HA ILE 53 1.883 -2.564 -4.588
485 HB ILE 53 HB ILE 53 3.218 -1.755 -7.177
486 HG12 ILE 53 2HG1 ILE 53 3.483 -0.686 -4.357
487 HG13 ILE 53 1HG1 ILE 53 4.665 -1.699 -5.180
488 HG21 ILE 53 1HG2 ILE 53 1.256 -0.213 -5.480
489 HG22 ILE 53 2HG2 ILE 53 0.959 -0.857 -7.093
490 HG23 ILE 53 3HG2 ILE 53 2.145 0.426 -6.863
491 HD11 ILE 53 3HD1 ILE 53 5.017 0.073 -6.831
492 HD12 ILE 53 1HD1 ILE 53 5.345 0.628 -5.188
493 HD13 ILE 53 2HD1 ILE 53 3.838 1.081 -5.990
494 H LEU 54 H LEU 54 2.213 -4.358 -7.594
495 HA LEU 54 HA LEU 54 -0.413 -3.986 -8.559
496 HG LEU 54 HG LEU 54 -0.142 -4.630 -10.978
497 HB2 LEU 54 2HB LEU 54 1.780 -5.909 -9.034
498 HB3 LEU 54 1HB LEU 54 0.169 -6.480 -9.424
499 HD11 LEU 54 1HD1 LEU 54 2.668 -3.833 -10.241
500 HD12 LEU 54 2HD1 LEU 54 1.198 -2.938 -9.854
501 HD13 LEU 54 3HD1 LEU 54 1.699 -3.127 -11.535
502 HD21 LEU 54 3HD2 LEU 54 1.486 -5.305 -12.660
503 HD22 LEU 54 1HD2 LEU 54 0.847 -6.702 -11.790
504 HD23 LEU 54 2HD2 LEU 54 2.458 -6.087 -11.411
505 H GLU 55 H GLU 55 1.016 -6.461 -6.462
506 HA GLU 55 HA GLU 55 -1.307 -7.948 -5.982
507 HB2 GLU 55 2HB GLU 55 1.113 -7.459 -4.244
508 HB3 GLU 55 1HB GLU 55 -0.145 -8.623 -3.851
509 HG2 GLU 55 2HG GLU 55 1.534 -8.685 -6.345
510 HG3 GLU 55 1HG GLU 55 1.841 -9.637 -4.894
511 H LEU 56 H LEU 56 0.006 -5.100 -4.368
512 HA LEU 56 HA LEU 56 -1.862 -4.964 -2.275
513 HG LEU 56 HG LEU 56 1.164 -4.380 -2.493
514 HB2 LEU 56 2HB LEU 56 -0.294 -2.774 -3.634
515 HB3 LEU 56 1HB LEU 56 -1.217 -2.553 -2.161
516 HD11 LEU 56 1HD1 LEU 56 0.853 -1.779 -1.001
517 HD12 LEU 56 2HD1 LEU 56 1.764 -2.015 -2.492
518 HD13 LEU 56 3HD1 LEU 56 2.288 -2.805 -1.005
519 HD21 LEU 56 3HD2 LEU 56 0.993 -4.694 -0.075
520 HD22 LEU 56 1HD2 LEU 56 -0.456 -5.269 -0.898
521 HD23 LEU 56 2HD2 LEU 56 -0.479 -3.723 -0.051
522 H ASN 57 H ASN 57 -1.847 -3.351 -5.459
523 HA ASN 57 HA ASN 57 -4.291 -1.991 -5.086
524 HB2 ASN 57 2HB ASN 57 -2.659 -2.705 -7.493
525 HB3 ASN 57 1HB ASN 57 -4.288 -2.078 -7.712
526 HD21 ASN 57 1HD2 ASN 57 -1.076 -1.372 -6.575
527 HD22 ASN 57 2HD2 ASN 57 -1.275 0.343 -6.500
528 H GLU 58 H GLU 58 -3.531 -5.161 -6.430
529 HA GLU 58 HA GLU 58 -6.113 -5.897 -7.252
530 HB2 GLU 58 2HB GLU 58 -4.022 -7.152 -7.748
531 HB3 GLU 58 1HB GLU 58 -3.966 -7.667 -6.072
532 HG2 GLU 58 2HG GLU 58 -6.075 -8.840 -6.337
533 HG3 GLU 58 1HG GLU 58 -6.167 -8.308 -8.016
534 H LEU 59 H LEU 59 -4.402 -6.388 -4.212
535 HA LEU 59 HA LEU 59 -6.434 -7.601 -2.737
536 HG LEU 59 HG LEU 59 -5.948 -6.287 0.036
537 HB2 LEU 59 2HB LEU 59 -4.059 -7.393 -2.045
538 HB3 LEU 59 1HB LEU 59 -4.324 -5.689 -1.731
539 HD11 LEU 59 1HD1 LEU 59 -6.103 -8.587 0.809
540 HD12 LEU 59 2HD1 LEU 59 -5.040 -9.113 -0.497
541 HD13 LEU 59 3HD1 LEU 59 -6.635 -8.462 -0.870
542 HD21 LEU 59 3HD2 LEU 59 -4.295 -7.086 1.651
543 HD22 LEU 59 1HD2 LEU 59 -3.606 -5.858 0.588
544 HD23 LEU 59 2HD2 LEU 59 -3.230 -7.562 0.329
545 H ILE 60 H ILE 60 -5.727 -4.166 -3.258
546 HA ILE 60 HA ILE 60 -7.697 -3.034 -1.637
547 HB ILE 60 HB ILE 60 -6.670 -2.053 -4.308
548 HG12 ILE 60 2HG1 ILE 60 -5.901 -1.263 -1.491
549 HG13 ILE 60 1HG1 ILE 60 -4.943 -2.294 -2.549
550 HG21 ILE 60 1HG2 ILE 60 -8.803 -1.018 -3.813
551 HG22 ILE 60 2HG2 ILE 60 -7.502 0.156 -3.608
552 HG23 ILE 60 3HG2 ILE 60 -8.249 -0.591 -2.194
553 HD11 ILE 60 3HD1 ILE 60 -4.094 -0.010 -2.495
554 HD12 ILE 60 1HD1 ILE 60 -5.652 0.585 -3.076
555 HD13 ILE 60 2HD1 ILE 60 -4.661 -0.448 -4.107
556 H GLU 61 H GLU 61 -7.895 -3.904 -5.096
557 HA GLU 61 HA GLU 61 -10.576 -3.260 -5.490
558 HB2 GLU 61 2HB GLU 61 -9.000 -5.508 -6.763
559 HB3 GLU 61 1HB GLU 61 -10.528 -4.884 -7.359
560 HG2 GLU 61 2HG GLU 61 -9.510 -2.746 -7.836
561 HG3 GLU 61 1HG GLU 61 -7.981 -3.300 -7.147
562 H ALA 62 H ALA 62 -9.115 -6.298 -4.424
563 HA ALA 62 HA ALA 62 -11.368 -7.922 -4.419
564 HB1 ALA 62 3HB ALA 62 -10.159 -9.315 -2.814
565 HB2 ALA 62 1HB ALA 62 -9.024 -7.996 -2.523
566 HB3 ALA 62 2HB ALA 62 -9.100 -8.762 -4.110
567 H GLN 63 H GLN 63 -10.206 -5.700 -1.928
568 HA GLN 63 HA GLN 63 -12.237 -6.532 -0.053
569 HB2 GLN 63 2HB GLN 63 -10.280 -4.234 0.092
570 HB3 GLN 63 1HB GLN 63 -11.286 -4.812 1.417
571 HG2 GLN 63 2HG GLN 63 -10.168 -6.995 1.270
572 HG3 GLN 63 1HG GLN 63 -9.119 -6.352 0.012
573 HE21 GLN 63 1HE2 GLN 63 -7.278 -6.695 1.189
574 HE22 GLN 63 2HE2 GLN 63 -6.863 -5.766 2.586
575 H ASN 64 H ASN 64 -11.993 -4.239 -2.564
576 HA ASN 64 HA ASN 64 -14.228 -2.662 -1.498
577 HB2 ASN 64 2HB ASN 64 -12.282 -2.179 -3.745
578 HB3 ASN 64 1HB ASN 64 -13.760 -1.235 -3.583
579 HD21 ASN 64 1HD2 ASN 64 -10.638 -1.934 -2.249
580 HD22 ASN 64 2HD2 ASN 64 -10.587 -0.590 -1.169
581 H HIS 65 H HIS 65 -14.011 -5.435 -3.060
582 HA HIS 65 HA HIS 65 -15.577 -4.896 -5.402
583 HD1 HIS 65 HD1 HIS 65 -15.524 -8.483 -7.233
584 HD2 HIS 65 HD2 HIS 65 -13.027 -5.224 -6.567
585 HE1 HIS 65 HE1 HIS 65 -14.427 -7.999 -9.446
586 HE2 HIS 65 HE2 HIS 65 -13.119 -5.877 -9.064
587 HB2 HIS 65 2HB HIS 65 -14.095 -7.132 -4.355
588 HB3 HIS 65 1HB HIS 65 -15.685 -7.655 -4.907
589 H GLN 66 H GLN 66 -16.426 -5.090 -2.199
590 HA GLN 66 HA GLN 66 -19.199 -5.634 -3.030
591 HB2 GLN 66 2HB GLN 66 -19.676 -6.736 -1.081
592 HB3 GLN 66 1HB GLN 66 -17.976 -7.147 -1.217
593 HG2 GLN 66 2HG GLN 66 -19.104 -4.922 0.469
594 HG3 GLN 66 1HG GLN 66 -18.631 -6.512 1.057
595 HE21 GLN 66 1HE2 GLN 66 -16.264 -6.702 -0.602
596 HE22 GLN 66 2HE2 GLN 66 -15.112 -5.593 0.082
597 H THR 67 H THR 67 -17.092 -3.289 -2.449
598 HA THR 67 HA THR 67 -18.876 -1.551 -0.900
599 HB THR 67 HB THR 67 -16.126 -0.733 -1.769
600 HG1 THR 67 HG1 THR 67 -16.773 -2.683 0.184
601 HG21 THR 67 3HG2 THR 67 -17.519 0.885 -0.603
602 HG22 THR 67 1HG2 THR 67 -16.157 0.413 0.413
603 HG23 THR 67 2HG2 THR 67 -17.763 -0.249 0.726
604 H LYS 68 H LYS 68 -18.108 -2.331 -4.035
605 HA LYS 68 HA LYS 68 -18.311 -1.409 -6.077
606 HB2 LYS 68 2HB LYS 68 -20.501 -0.612 -5.423
607 HB3 LYS 68 1HB LYS 68 -19.791 0.759 -4.585
608 HG2 LYS 68 2HG LYS 68 -18.977 1.638 -6.722
609 HG3 LYS 68 1HG LYS 68 -19.699 0.265 -7.556
610 HD2 LYS 68 2HD LYS 68 -21.177 2.122 -7.793
611 HD3 LYS 68 1HD LYS 68 -21.917 0.986 -6.665
612 HE2 LYS 68 2HE LYS 68 -20.269 3.291 -5.690
613 HE3 LYS 68 1HE LYS 68 -21.966 3.503 -6.107
614 HZ1 LYS 68 3HZ LYS 68 -22.510 1.756 -4.488
615 HZ2 LYS 68 1HZ LYS 68 -21.739 3.085 -3.768
616 HZ3 LYS 68 2HZ LYS 68 -20.877 1.658 -4.049
617 H THR 69 H THR 69 -16.349 -0.959 -6.777
618 HA THR 69 HA THR 69 -14.511 0.761 -5.580
619 HB THR 69 HB THR 69 -13.419 0.681 -7.937
620 HG1 THR 69 HG1 THR 69 -14.871 -1.600 -8.475
621 HG21 THR 69 3HG2 THR 69 -12.677 -0.673 -6.043
622 HG22 THR 69 1HG2 THR 69 -12.647 -1.617 -7.533
623 HG23 THR 69 2HG2 THR 69 -13.953 -1.848 -6.370
624 H ALA 70 H ALA 70 -16.863 1.340 -8.127
625 HA ALA 70 HA ALA 70 -17.704 3.228 -9.056
626 HB1 ALA 70 3HB ALA 70 -16.642 4.548 -6.560
627 HB2 ALA 70 1HB ALA 70 -18.207 3.745 -6.713
628 HB3 ALA 70 2HB ALA 70 -17.868 5.201 -7.651
629 H LEU 71 H LEU 71 -15.127 2.459 -9.900
630 HA LEU 71 HA LEU 71 -13.359 4.695 -10.021
631 HG LEU 71 HG LEU 71 -11.199 4.127 -11.003
632 HB2 LEU 71 2HB LEU 71 -12.804 2.210 -10.313
633 HB3 LEU 71 1HB LEU 71 -13.447 2.363 -11.933
634 HD11 LEU 71 1HD1 LEU 71 -9.635 2.496 -11.956
635 HD12 LEU 71 2HD1 LEU 71 -10.967 1.368 -12.202
636 HD13 LEU 71 3HD1 LEU 71 -10.499 1.834 -10.568
637 HD21 LEU 71 3HD2 LEU 71 -12.316 4.733 -13.088
638 HD22 LEU 71 1HD2 LEU 71 -12.040 3.105 -13.715
639 HD23 LEU 71 2HD2 LEU 71 -10.671 4.170 -13.393
640 H GLU 72 H GLU 72 -15.974 3.455 -11.965
641 HA GLU 72 HA GLU 72 -15.624 5.120 -14.228
642 HB2 GLU 72 2HB GLU 72 -17.013 3.060 -14.184
643 HB3 GLU 72 1HB GLU 72 -18.163 3.882 -13.144
644 HG2 GLU 72 2HG GLU 72 -18.964 3.840 -15.412
645 HG3 GLU 72 1HG GLU 72 -18.613 5.497 -14.924
646 H HIS 73 H HIS 73 -16.757 5.691 -11.059
647 HA HIS 73 HA HIS 73 -18.436 7.932 -11.710
648 HD1 HIS 73 HD1 HIS 73 -17.230 8.644 -7.378
649 HD2 HIS 73 HD2 HIS 73 -20.395 9.293 -9.996
650 HE1 HIS 73 HE1 HIS 73 -18.408 10.700 -6.523
651 HE2 HIS 73 HE2 HIS 73 -20.193 11.184 -8.238
652 HB2 HIS 73 2HB HIS 73 -18.987 6.646 -9.749
653 HB3 HIS 73 1HB HIS 73 -17.377 6.879 -9.080
654 H HIS 74 H HIS 74 -17.267 9.451 -12.770
655 HA HIS 74 HA HIS 74 -15.111 10.725 -11.224
656 HD1 HIS 74 HD1 HIS 74 -14.130 8.219 -14.552
657 HD2 HIS 74 HD2 HIS 74 -12.344 10.678 -11.704
658 HE1 HIS 74 HE1 HIS 74 -11.975 7.086 -13.929
659 HE2 HIS 74 HE2 HIS 74 -10.845 8.664 -12.318
660 HB2 HIS 74 2HB HIS 74 -15.407 10.321 -14.188
661 HB3 HIS 74 1HB HIS 74 -14.453 11.664 -13.568
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