Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
566046 | 2m76 RC | 19174 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 14.240 -14.367 33.771
2 H2 MET 1 HT2 MET 1 13.676 -14.105 35.353
3 H3 MET 1 HT3 MET 1 15.144 -13.416 34.846
4 HA MET 1 HA MET 1 12.858 -12.712 33.223
5 HB2 MET 1 HB2 MET 1 13.113 -11.848 36.116
6 HB3 MET 1 HB1 MET 1 12.102 -11.022 34.930
7 HG2 MET 1 HG2 MET 1 10.870 -13.138 34.530
8 HG3 MET 1 HG1 MET 1 11.851 -13.929 35.762
9 HE1 MET 1 HE1 MET 1 11.939 -13.532 38.047
10 HE2 MET 1 HE2 MET 1 10.806 -12.643 39.059
11 HE3 MET 1 HE3 MET 1 12.085 -11.777 38.214
12 H ALA 2 HN ALA 2 15.677 -11.961 35.199
13 HA ALA 2 HA ALA 2 16.145 -9.343 34.238
14 HB1 ALA 2 HB1 ALA 2 18.645 -10.487 34.810
15 HB2 ALA 2 HB2 ALA 2 17.507 -11.279 35.899
16 HB3 ALA 2 HB3 ALA 2 17.645 -9.522 35.896
17 H GLU 3 HN GLU 3 17.113 -12.529 33.070
18 HA GLU 3 HA GLU 3 18.297 -11.248 30.677
19 HB2 GLU 3 HB2 GLU 3 18.901 -13.906 31.990
20 HB3 GLU 3 HB1 GLU 3 19.530 -13.422 30.414
21 HG2 GLU 3 HG2 GLU 3 20.626 -11.478 31.411
22 HG3 GLU 3 HG1 GLU 3 19.939 -11.870 32.987
23 H ALA 4 HN ALA 4 17.269 -11.542 28.809
24 HA ALA 4 HA ALA 4 15.735 -13.982 28.334
25 HB1 ALA 4 HB1 ALA 4 13.660 -12.992 28.034
26 HB2 ALA 4 HB2 ALA 4 14.347 -11.390 27.762
27 HB3 ALA 4 HB3 ALA 4 14.284 -12.058 29.393
28 H HIS 5 HN HIS 5 15.312 -14.369 26.125
29 HA HIS 5 HA HIS 5 16.912 -12.696 24.278
30 HB2 HIS 5 HB2 HIS 5 16.278 -15.654 24.168
31 HB3 HIS 5 HB1 HIS 5 17.129 -14.761 22.908
32 HD2 HIS 5 HD2 HIS 5 17.935 -16.559 26.196
33 HE1 HIS 5 HE1 HIS 5 21.295 -14.158 25.316
34 HE2 HIS 5 HE2 HIS 5 20.420 -16.025 26.798
35 H GLN 6 HN GLN 6 16.020 -12.048 22.358
36 HA GLN 6 HA GLN 6 13.206 -11.784 22.208
37 HB2 GLN 6 HB2 GLN 6 14.822 -10.216 21.152
38 HB3 GLN 6 HB1 GLN 6 15.236 -11.469 19.984
39 HG2 GLN 6 HG2 GLN 6 12.872 -11.544 19.240
40 HG3 GLN 6 HG1 GLN 6 12.482 -10.265 20.389
41 HE21 GLN 6 HE21 GLN 6 12.083 -8.485 19.026
42 HE22 GLN 6 HE22 GLN 6 13.186 -7.910 17.871
43 H ALA 7 HN ALA 7 15.499 -13.982 20.648
44 HA ALA 7 HA ALA 7 13.307 -15.824 20.071
45 HB1 ALA 7 HB1 ALA 7 15.057 -14.577 17.952
46 HB2 ALA 7 HB2 ALA 7 13.295 -14.649 18.010
47 HB3 ALA 7 HB3 ALA 7 14.228 -16.114 17.705
48 H VAL 8 HN VAL 8 13.996 -17.974 19.736
49 HA VAL 8 HA VAL 8 16.286 -18.749 21.195
50 HB VAL 8 HB VAL 8 14.538 -20.272 19.254
51 HG11 VAL 8 HG11 VAL 8 17.018 -21.021 20.704
52 HG12 VAL 8 HG12 VAL 8 16.330 -21.697 19.227
53 HG13 VAL 8 HG13 VAL 8 15.688 -22.175 20.799
54 HG21 VAL 8 HG21 VAL 8 14.729 -20.456 22.270
55 HG22 VAL 8 HG22 VAL 8 13.474 -21.123 21.226
56 HG23 VAL 8 HG23 VAL 8 13.596 -19.378 21.454
57 H GLY 9 HN GLY 9 15.653 -18.593 17.700
58 HA2 GLY 9 HA2 GLY 9 18.386 -19.386 17.078
59 HA3 GLY 9 HA1 GLY 9 17.109 -19.030 15.920
60 H PHE 10 HN PHE 10 19.360 -17.987 15.176
61 HA PHE 10 HA PHE 10 19.185 -15.127 15.908
62 HB2 PHE 10 HB2 PHE 10 21.686 -16.761 15.421
63 HB3 PHE 10 HB1 PHE 10 21.654 -15.002 15.548
64 HD1 PHE 10 HD1 PHE 10 20.971 -13.906 17.679
65 HD2 PHE 10 HD2 PHE 10 21.461 -18.162 17.363
66 HE1 PHE 10 HE1 PHE 10 21.040 -14.081 20.152
67 HE2 PHE 10 HE2 PHE 10 21.530 -18.337 19.837
68 HZ PHE 10 HZ PHE 10 21.319 -16.297 21.232
69 H ARG 11 HN ARG 11 19.567 -13.653 14.228
70 HA ARG 11 HA ARG 11 18.575 -14.258 11.736
71 HB2 ARG 11 HB2 ARG 11 19.961 -12.027 12.965
72 HB3 ARG 11 HB1 ARG 11 20.417 -12.198 11.272
73 HG2 ARG 11 HG2 ARG 11 18.420 -10.758 11.522
74 HG3 ARG 11 HG1 ARG 11 18.039 -12.226 10.625
75 HD2 ARG 11 HD2 ARG 11 16.652 -13.000 12.245
76 HD3 ARG 11 HD1 ARG 11 17.734 -12.497 13.540
77 HE ARG 11 HE ARG 11 16.543 -10.207 12.381
78 HH11 ARG 11 HH21 ARG 11 15.801 -12.992 14.295
79 HH12 ARG 11 HH22 ARG 11 14.492 -12.234 15.140
80 HH21 ARG 11 HH11 ARG 11 14.828 -9.207 13.483
81 HH22 ARG 11 HH12 ARG 11 13.941 -10.092 14.679
82 HA PRO 12 HA PRO 12 21.699 -16.318 9.376
83 HB2 PRO 12 HB2 PRO 12 21.882 -14.185 7.337
84 HB3 PRO 12 HB1 PRO 12 21.375 -15.874 7.158
85 HG2 PRO 12 HG2 PRO 12 19.652 -13.819 7.033
86 HG3 PRO 12 HG1 PRO 12 19.202 -15.415 7.657
87 HD2 PRO 12 HD2 PRO 12 19.742 -12.887 9.155
88 HD3 PRO 12 HD1 PRO 12 18.614 -14.210 9.520
89 H SER 13 HN SER 13 23.921 -16.455 9.226
90 HA SER 13 HA SER 13 25.519 -14.603 10.635
91 HB2 SER 13 HB2 SER 13 27.426 -15.913 9.764
92 HB3 SER 13 HB1 SER 13 26.152 -16.954 10.394
93 HG SER 13 HG SER 13 25.724 -16.364 7.795
94 H LEU 14 HN LEU 14 24.732 -14.974 7.245
95 HA LEU 14 HA LEU 14 26.706 -13.297 6.146
96 HB2 LEU 14 HB2 LEU 14 25.341 -14.806 4.775
97 HB3 LEU 14 HB1 LEU 14 23.897 -13.877 5.169
98 HG LEU 14 HG LEU 14 24.830 -11.901 4.044
99 HD11 LEU 14 HD11 LEU 14 27.245 -13.670 3.890
100 HD12 LEU 14 HD12 LEU 14 27.143 -11.951 4.269
101 HD13 LEU 14 HD13 LEU 14 26.967 -12.499 2.601
102 HD21 LEU 14 HD21 LEU 14 23.922 -12.728 2.160
103 HD22 LEU 14 HD22 LEU 14 24.108 -14.361 2.797
104 HD23 LEU 14 HD23 LEU 14 25.398 -13.637 1.838
105 H THR 15 HN THR 15 23.453 -12.608 7.397
106 HA THR 15 HA THR 15 23.407 -9.873 6.644
107 HB THR 15 HB THR 15 21.602 -9.679 8.352
108 HG1 THR 15 HG1 THR 15 21.734 -12.415 8.793
109 HG21 THR 15 HG21 THR 15 20.138 -11.485 7.314
110 HG22 THR 15 HG22 THR 15 21.573 -12.022 6.441
111 HG23 THR 15 HG23 THR 15 20.933 -10.401 6.173
112 H SER 16 HN SER 16 24.669 -11.579 9.443
113 HA SER 16 HA SER 16 25.165 -9.232 11.012
114 HB2 SER 16 HB2 SER 16 26.098 -12.091 11.162
115 HB3 SER 16 HB1 SER 16 26.741 -10.859 12.244
116 HG SER 16 HG SER 16 24.997 -11.584 13.301
117 H ASP 17 HN ASP 17 27.111 -8.130 11.327
118 HA ASP 17 HA ASP 17 28.986 -8.332 9.077
119 HB2 ASP 17 HB2 ASP 17 28.507 -6.217 11.180
120 HB3 ASP 17 HB1 ASP 17 29.856 -6.154 10.046
121 H GLY 18 HN GLY 18 30.607 -9.726 9.396
122 HA2 GLY 18 HA2 GLY 18 31.567 -10.567 11.925
123 HA3 GLY 18 HA1 GLY 18 32.373 -10.829 10.381
124 H ALA 19 HN ALA 19 32.675 -8.115 9.627
125 HA ALA 19 HA ALA 19 35.091 -7.473 10.984
126 HB1 ALA 19 HB1 ALA 19 35.080 -6.740 8.779
127 HB2 ALA 19 HB2 ALA 19 34.725 -5.246 9.646
128 HB3 ALA 19 HB3 ALA 19 33.421 -6.150 8.876
129 H GLU 20 HN GLU 20 35.563 -5.841 12.436
130 HA GLU 20 HA GLU 20 33.550 -5.154 14.311
131 HB2 GLU 20 HB2 GLU 20 36.343 -4.074 13.875
132 HB3 GLU 20 HB1 GLU 20 35.321 -3.630 15.243
133 HG2 GLU 20 HG2 GLU 20 35.188 -5.968 15.946
134 HG3 GLU 20 HG1 GLU 20 36.127 -6.467 14.540
135 H VAL 21 HN VAL 21 35.070 -3.401 11.640
136 HA VAL 21 HA VAL 21 32.905 -1.403 11.815
137 HB VAL 21 HB VAL 21 34.542 0.365 11.222
138 HG11 VAL 21 HG11 VAL 21 33.924 0.023 13.574
139 HG12 VAL 21 HG12 VAL 21 35.622 0.478 13.453
140 HG13 VAL 21 HG13 VAL 21 35.180 -1.204 13.740
141 HG21 VAL 21 HG21 VAL 21 36.546 -1.863 11.703
142 HG22 VAL 21 HG22 VAL 21 36.960 -0.161 11.501
143 HG23 VAL 21 HG23 VAL 21 36.239 -1.058 10.164
144 H GLU 22 HN GLU 22 32.512 -0.275 9.786
145 HA GLU 22 HA GLU 22 33.587 -1.613 7.396
146 HB2 GLU 22 HB2 GLU 22 30.657 -1.272 8.057
147 HB3 GLU 22 HB1 GLU 22 31.259 -1.671 6.448
148 HG2 GLU 22 HG2 GLU 22 32.313 -3.702 7.312
149 HG3 GLU 22 HG1 GLU 22 31.807 -3.293 8.950
150 H LEU 23 HN LEU 23 33.889 1.063 8.722
151 HA LEU 23 HA LEU 23 32.490 3.032 7.249
152 HB2 LEU 23 HB2 LEU 23 35.160 3.094 8.665
153 HB3 LEU 23 HB1 LEU 23 34.415 4.521 7.951
154 HG LEU 23 HG LEU 23 33.059 2.753 10.010
155 HD11 LEU 23 HD11 LEU 23 34.668 3.699 11.350
156 HD12 LEU 23 HD12 LEU 23 33.512 5.030 11.347
157 HD13 LEU 23 HD13 LEU 23 34.909 5.075 10.272
158 HD21 LEU 23 HD21 LEU 23 32.310 5.224 8.504
159 HD22 LEU 23 HD22 LEU 23 31.832 5.139 10.197
160 HD23 LEU 23 HD23 LEU 23 31.295 3.898 9.067
161 H SER 24 HN SER 24 35.602 1.435 6.739
162 HA SER 24 HA SER 24 35.734 1.134 4.091
163 HB2 SER 24 HB2 SER 24 36.012 4.047 4.713
164 HB3 SER 24 HB1 SER 24 37.036 3.368 3.455
165 HG SER 24 HG SER 24 35.352 3.162 2.215
166 H ALA 25 HN ALA 25 36.999 0.850 6.886
167 HA ALA 25 HA ALA 25 39.636 1.559 6.960
168 HB1 ALA 25 HB1 ALA 25 37.981 -0.335 8.307
169 HB2 ALA 25 HB2 ALA 25 39.484 0.406 8.856
170 HB3 ALA 25 HB3 ALA 25 39.528 -1.099 7.937
171 HA PRO 26 HA PRO 26 40.855 -2.571 4.607
172 HB2 PRO 26 HB2 PRO 26 38.519 -2.669 2.758
173 HB3 PRO 26 HB1 PRO 26 39.414 -4.000 3.518
174 HG2 PRO 26 HG2 PRO 26 36.986 -3.293 4.354
175 HG3 PRO 26 HG1 PRO 26 38.234 -3.852 5.481
176 HD2 PRO 26 HD2 PRO 26 37.221 -1.079 5.019
177 HD3 PRO 26 HD1 PRO 26 37.827 -1.831 6.509
178 H VAL 27 HN VAL 27 38.806 -0.212 2.875
179 HA VAL 27 HA VAL 27 40.474 -0.005 0.566
180 HB VAL 27 HB VAL 27 38.373 1.848 1.723
181 HG11 VAL 27 HG11 VAL 27 39.459 3.369 0.385
182 HG12 VAL 27 HG12 VAL 27 38.553 2.546 -0.886
183 HG13 VAL 27 HG13 VAL 27 40.236 2.114 -0.582
184 HG21 VAL 27 HG21 VAL 27 37.033 0.947 -0.167
185 HG22 VAL 27 HG22 VAL 27 37.551 -0.335 0.930
186 HG23 VAL 27 HG23 VAL 27 38.384 -0.099 -0.606
187 H LEU 28 HN LEU 28 40.135 1.853 3.551
188 HA LEU 28 HA LEU 28 41.992 3.884 2.931
189 HB2 LEU 28 HB2 LEU 28 41.074 2.769 5.576
190 HB3 LEU 28 HB1 LEU 28 42.126 4.174 5.434
191 HG LEU 28 HG LEU 28 39.418 3.948 4.084
192 HD11 LEU 28 HD11 LEU 28 38.660 4.160 6.224
193 HD12 LEU 28 HD12 LEU 28 39.100 5.852 5.991
194 HD13 LEU 28 HD13 LEU 28 40.209 4.759 6.821
195 HD21 LEU 28 HD21 LEU 28 40.451 5.643 2.904
196 HD22 LEU 28 HD22 LEU 28 41.568 6.024 4.213
197 HD23 LEU 28 HD23 LEU 28 39.901 6.590 4.285
198 H GLN 29 HN GLN 29 42.402 0.748 4.537
199 HA GLN 29 HA GLN 29 45.122 1.075 5.257
200 HB2 GLN 29 HB2 GLN 29 43.646 -0.696 6.171
201 HB3 GLN 29 HB1 GLN 29 43.638 -1.481 4.590
202 HG2 GLN 29 HG2 GLN 29 46.096 -1.730 4.701
203 HG3 GLN 29 HG1 GLN 29 46.100 -0.960 6.284
204 HE21 GLN 29 HE21 GLN 29 46.145 -2.442 7.953
205 HE22 GLN 29 HE22 GLN 29 45.480 -4.002 7.902
206 H GLU 30 HN GLU 30 43.585 -0.246 2.313
207 HA GLU 30 HA GLU 30 46.011 -1.057 1.020
208 HB2 GLU 30 HB2 GLU 30 43.756 -1.872 0.355
209 HB3 GLU 30 HB1 GLU 30 43.384 -0.262 -0.243
210 HG2 GLU 30 HG2 GLU 30 45.241 -0.380 -1.827
211 HG3 GLU 30 HG1 GLU 30 45.690 -1.972 -1.211
212 H ILE 31 HN ILE 31 44.114 1.982 0.953
213 HA ILE 31 HA ILE 31 45.719 3.212 -1.045
214 HB ILE 31 HB ILE 31 43.945 4.417 1.098
215 HG12 ILE 31 HG12 ILE 31 43.508 4.153 -1.906
216 HG13 ILE 31 HG11 ILE 31 42.930 2.939 -0.755
217 HG21 ILE 31 HG21 ILE 31 45.400 6.166 0.569
218 HG22 ILE 31 HG22 ILE 31 44.091 6.403 -0.588
219 HG23 ILE 31 HG23 ILE 31 45.591 5.628 -1.099
220 HD11 ILE 31 HD11 ILE 31 42.234 5.893 -0.605
221 HD12 ILE 31 HD12 ILE 31 41.574 4.598 0.389
222 HD13 ILE 31 HD13 ILE 31 41.186 4.670 -1.329
223 H TYR 32 HN TYR 32 45.858 3.241 2.518
224 HA TYR 32 HA TYR 32 48.012 5.105 2.740
225 HB2 TYR 32 HB2 TYR 32 46.637 4.495 4.677
226 HB3 TYR 32 HB1 TYR 32 47.200 2.826 4.576
227 HD1 TYR 32 HD1 TYR 32 48.375 6.340 5.038
228 HD2 TYR 32 HD2 TYR 32 49.256 2.167 5.580
229 HE1 TYR 32 HE1 TYR 32 50.361 6.926 6.418
230 HE2 TYR 32 HE2 TYR 32 51.230 2.756 6.956
231 HH TYR 32 HH TYR 32 52.814 5.001 7.014
232 H LEU 33 HN LEU 33 48.012 1.510 2.523
233 HA LEU 33 HA LEU 33 50.826 1.225 2.783
234 HB2 LEU 33 HB2 LEU 33 49.244 -0.635 3.044
235 HB3 LEU 33 HB1 LEU 33 48.822 -0.529 1.335
236 HG LEU 33 HG LEU 33 51.138 -1.086 0.703
237 HD11 LEU 33 HD11 LEU 33 51.543 -0.826 3.658
238 HD12 LEU 33 HD12 LEU 33 52.575 -0.282 2.336
239 HD13 LEU 33 HD13 LEU 33 52.532 -1.990 2.774
240 HD21 LEU 33 HD21 LEU 33 50.544 -3.260 0.842
241 HD22 LEU 33 HD22 LEU 33 49.289 -2.812 1.997
242 HD23 LEU 33 HD23 LEU 33 50.892 -3.272 2.570
243 H SER 34 HN SER 34 48.749 1.649 -0.064
244 HA SER 34 HA SER 34 50.811 1.310 -1.997
245 HB2 SER 34 HB2 SER 34 49.205 2.353 -3.559
246 HB3 SER 34 HB1 SER 34 48.470 1.068 -2.605
247 HG SER 34 HG SER 34 48.080 3.135 -1.152
248 H GLY 35 HN GLY 35 49.503 4.112 -0.266
249 HA2 GLY 35 HA2 GLY 35 50.841 6.110 -1.763
250 HA3 GLY 35 HA1 GLY 35 50.205 6.290 -0.129
251 H LEU 36 HN LEU 36 51.759 4.236 1.123
252 HA LEU 36 HA LEU 36 54.085 5.671 1.779
253 HB2 LEU 36 HB2 LEU 36 53.074 4.027 3.298
254 HB3 LEU 36 HB1 LEU 36 53.470 2.729 2.177
255 HG LEU 36 HG LEU 36 55.869 3.177 2.466
256 HD11 LEU 36 HD11 LEU 36 56.149 5.448 2.886
257 HD12 LEU 36 HD12 LEU 36 56.332 4.793 4.513
258 HD13 LEU 36 HD13 LEU 36 54.798 5.510 4.017
259 HD21 LEU 36 HD21 LEU 36 55.327 3.125 5.288
260 HD22 LEU 36 HD22 LEU 36 55.779 1.787 4.232
261 HD23 LEU 36 HD23 LEU 36 54.079 2.206 4.447
262 H ARG 37 HN ARG 37 53.577 2.908 -0.415
263 HA ARG 37 HA ARG 37 56.297 2.473 -1.048
264 HB2 ARG 37 HB2 ARG 37 54.455 0.910 -1.635
265 HB3 ARG 37 HB1 ARG 37 53.880 2.072 -2.829
266 HG2 ARG 37 HG2 ARG 37 56.023 1.934 -4.026
267 HG3 ARG 37 HG1 ARG 37 56.633 0.802 -2.819
268 HD2 ARG 37 HD2 ARG 37 55.847 -0.457 -4.745
269 HD3 ARG 37 HD1 ARG 37 54.764 -0.750 -3.387
270 HE ARG 37 HE ARG 37 53.794 1.426 -4.927
271 HH11 ARG 37 HH21 ARG 37 54.235 -2.008 -4.989
272 HH12 ARG 37 HH22 ARG 37 52.892 -2.299 -6.044
273 HH21 ARG 37 HH11 ARG 37 52.035 1.050 -6.312
274 HH22 ARG 37 HH12 ARG 37 51.647 -0.568 -6.793
275 H SER 38 HN SER 38 53.836 4.600 -2.458
276 HA SER 38 HA SER 38 55.502 5.636 -4.544
277 HB2 SER 38 HB2 SER 38 52.926 5.619 -4.411
278 HB3 SER 38 HB1 SER 38 53.104 7.036 -3.381
279 HG SER 38 HG SER 38 54.154 6.704 -6.002
280 H TRP 39 HN TRP 39 54.763 6.549 -1.241
281 HA TRP 39 HA TRP 39 55.662 9.171 -1.192
282 HB2 TRP 39 HB2 TRP 39 54.506 7.652 0.625
283 HB3 TRP 39 HB1 TRP 39 56.157 7.366 1.145
284 HD1 TRP 39 HD1 TRP 39 56.634 10.681 0.081
285 HE1 TRP 39 HE1 TRP 39 56.134 12.426 1.896
286 HE3 TRP 39 HE3 TRP 39 53.901 7.830 3.319
287 HZ2 TRP 39 HZ2 TRP 39 54.760 12.603 4.395
288 HZ3 TRP 39 HZ3 TRP 39 53.009 8.816 5.409
289 HH2 TRP 39 HH2 TRP 39 53.434 11.196 5.952
290 H LYS 40 HN LYS 40 57.504 6.152 -0.852
291 HA LYS 40 HA LYS 40 59.924 7.185 0.063
292 HB2 LYS 40 HB2 LYS 40 59.397 4.769 -0.171
293 HB3 LYS 40 HB1 LYS 40 59.559 4.932 -1.921
294 HG2 LYS 40 HG2 LYS 40 61.891 5.658 -1.659
295 HG3 LYS 40 HG1 LYS 40 61.738 5.559 0.095
296 HD2 LYS 40 HD2 LYS 40 61.254 3.142 -0.086
297 HD3 LYS 40 HD1 LYS 40 61.434 3.241 -1.837
298 HE2 LYS 40 HE2 LYS 40 63.763 3.986 -1.567
299 HE3 LYS 40 HE1 LYS 40 63.592 3.910 0.186
300 HZ1 LYS 40 HZ1 LYS 40 64.233 1.805 0.013
301 HZ2 LYS 40 HZ2 LYS 40 64.084 1.810 -1.680
302 HZ3 LYS 40 HZ3 LYS 40 62.733 1.473 -0.707
303 H ARG 41 HN ARG 41 58.696 7.026 -3.325
304 HA ARG 41 HA ARG 41 61.103 7.853 -4.529
305 HB2 ARG 41 HB2 ARG 41 58.219 8.169 -5.366
306 HB3 ARG 41 HB1 ARG 41 59.575 8.644 -6.391
307 HG2 ARG 41 HG2 ARG 41 60.464 6.353 -6.306
308 HG3 ARG 41 HG1 ARG 41 59.139 5.868 -5.248
309 HD2 ARG 41 HD2 ARG 41 57.514 6.444 -7.009
310 HD3 ARG 41 HD1 ARG 41 58.831 6.933 -8.070
311 HE ARG 41 HE ARG 41 58.105 4.194 -7.342
312 HH11 ARG 41 HH21 ARG 41 60.360 6.389 -8.804
313 HH12 ARG 41 HH22 ARG 41 61.113 5.175 -9.779
314 HH21 ARG 41 HH11 ARG 41 59.097 2.607 -8.620
315 HH22 ARG 41 HH12 ARG 41 60.401 3.036 -9.674
316 H HIS 42 HN HIS 42 58.412 9.639 -3.253
317 HA HIS 42 HA HIS 42 59.339 12.265 -3.994
318 HB2 HIS 42 HB2 HIS 42 57.209 11.311 -2.081
319 HB3 HIS 42 HB1 HIS 42 57.551 13.017 -2.364
320 HD2 HIS 42 HD2 HIS 42 56.626 14.013 -4.839
321 HE1 HIS 42 HE1 HIS 42 54.959 10.390 -6.224
322 HE2 HIS 42 HE2 HIS 42 55.169 12.878 -6.685
323 H LEU 43 HN LEU 43 59.682 10.191 -1.231
324 HA LEU 43 HA LEU 43 60.887 12.204 0.472
325 HB2 LEU 43 HB2 LEU 43 60.246 9.302 0.819
326 HB3 LEU 43 HB1 LEU 43 61.294 10.127 1.963
327 HG LEU 43 HG LEU 43 58.578 11.191 1.174
328 HD11 LEU 43 HD11 LEU 43 58.217 9.002 2.168
329 HD12 LEU 43 HD12 LEU 43 57.795 10.235 3.355
330 HD13 LEU 43 HD13 LEU 43 59.331 9.379 3.482
331 HD21 LEU 43 HD21 LEU 43 59.357 11.857 3.828
332 HD22 LEU 43 HD22 LEU 43 59.196 12.941 2.447
333 HD23 LEU 43 HD23 LEU 43 60.746 12.177 2.790
334 H SER 44 HN SER 44 62.035 10.384 -2.079
335 HA SER 44 HA SER 44 64.403 9.270 -1.229
336 HB2 SER 44 HB2 SER 44 63.934 10.756 -3.819
337 HB3 SER 44 HB1 SER 44 65.233 9.607 -3.515
338 HG SER 44 HG SER 44 62.434 9.130 -3.492
339 H ARG 45 HN ARG 45 63.908 12.733 -2.128
340 HA ARG 45 HA ARG 45 66.620 13.441 -1.908
341 HB2 ARG 45 HB2 ARG 45 64.095 15.044 -1.489
342 HB3 ARG 45 HB1 ARG 45 65.707 15.763 -1.438
343 HG2 ARG 45 HG2 ARG 45 66.154 14.971 -3.718
344 HG3 ARG 45 HG1 ARG 45 64.572 14.191 -3.774
345 HD2 ARG 45 HD2 ARG 45 63.477 16.378 -3.493
346 HD3 ARG 45 HD1 ARG 45 65.051 17.164 -3.411
347 HE ARG 45 HE ARG 45 64.989 15.730 -5.804
348 HH11 ARG 45 HH21 ARG 45 63.287 18.311 -4.252
349 HH12 ARG 45 HH22 ARG 45 62.870 19.111 -5.731
350 HH21 ARG 45 HH11 ARG 45 64.448 16.771 -7.747
351 HH22 ARG 45 HH12 ARG 45 63.527 18.238 -7.712
352 H PHE 46 HN PHE 46 64.033 13.639 0.539
353 HA PHE 46 HA PHE 46 65.701 14.578 2.634
354 HB2 PHE 46 HB2 PHE 46 63.035 13.154 2.662
355 HB3 PHE 46 HB1 PHE 46 63.814 13.795 4.109
356 HD1 PHE 46 HD1 PHE 46 64.192 16.228 4.368
357 HD2 PHE 46 HD2 PHE 46 62.048 14.621 1.010
358 HE1 PHE 46 HE1 PHE 46 63.307 18.487 3.851
359 HE2 PHE 46 HE2 PHE 46 61.163 16.880 0.494
360 HZ PHE 46 HZ PHE 46 61.793 18.812 1.914
361 H TRP 47 HN TRP 47 64.681 11.356 1.632
362 HA TRP 47 HA TRP 47 65.707 9.913 3.822
363 HB2 TRP 47 HB2 TRP 47 64.154 8.844 2.348
364 HB3 TRP 47 HB1 TRP 47 65.205 9.109 0.957
365 HD1 TRP 47 HD1 TRP 47 64.866 6.975 4.103
366 HE1 TRP 47 HE1 TRP 47 66.457 4.955 3.913
367 HE3 TRP 47 HE3 TRP 47 67.397 8.243 -0.146
368 HZ2 TRP 47 HZ2 TRP 47 68.529 4.003 2.184
369 HZ3 TRP 47 HZ3 TRP 47 69.172 6.764 -1.042
370 HH2 TRP 47 HH2 TRP 47 69.741 4.648 0.117
371 H ASN 48 HN ASN 48 67.183 10.841 0.733
372 HA ASN 48 HA ASN 48 69.592 9.397 1.055
373 HB2 ASN 48 HB2 ASN 48 68.894 10.327 -1.104
374 HB3 ASN 48 HB1 ASN 48 69.070 11.961 -0.469
375 HD21 ASN 48 HD21 ASN 48 70.835 12.613 -1.822
376 HD22 ASN 48 HD22 ASN 48 72.366 11.884 -1.743
377 H ASP 49 HN ASP 49 68.629 12.673 1.995
378 HA ASP 49 HA ASP 49 71.245 13.122 3.243
379 HB2 ASP 49 HB2 ASP 49 70.111 14.894 1.846
380 HB3 ASP 49 HB1 ASP 49 68.892 15.014 3.113
381 H PHE 50 HN PHE 50 71.473 12.293 5.222
382 HA PHE 50 HA PHE 50 69.403 11.535 6.953
383 HB2 PHE 50 HB2 PHE 50 72.291 12.232 7.523
384 HB3 PHE 50 HB1 PHE 50 71.199 11.522 8.712
385 HD1 PHE 50 HD2 PHE 50 70.263 9.248 8.361
386 HD2 PHE 50 HD1 PHE 50 73.179 10.933 5.695
387 HE1 PHE 50 HE2 PHE 50 70.709 6.995 7.426
388 HE2 PHE 50 HE1 PHE 50 73.625 8.680 4.759
389 HZ PHE 50 HZ PHE 50 72.390 6.710 5.625
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 18.032 -27.072 25.124
2 H2 MET 1 HT2 MET 1 19.488 -27.627 24.439
3 H3 MET 1 HT3 MET 1 19.089 -28.039 26.034
4 HA MET 1 HA MET 1 18.680 -29.647 23.955
5 HB2 MET 1 HB2 MET 1 17.075 -29.348 26.508
6 HB3 MET 1 HB1 MET 1 17.013 -30.773 25.473
7 HG2 MET 1 HG2 MET 1 19.440 -31.097 25.773
8 HG3 MET 1 HG1 MET 1 19.513 -29.664 26.790
9 HE1 MET 1 HE1 MET 1 20.824 -31.454 27.855
10 HE2 MET 1 HE2 MET 1 20.214 -32.686 28.955
11 HE3 MET 1 HE3 MET 1 20.200 -30.989 29.444
12 H ALA 2 HN ALA 2 17.258 -29.924 22.331
13 HA ALA 2 HA ALA 2 15.425 -27.910 21.598
14 HB1 ALA 2 HB1 ALA 2 14.893 -29.248 19.752
15 HB2 ALA 2 HB2 ALA 2 15.241 -30.744 20.617
16 HB3 ALA 2 HB3 ALA 2 16.561 -29.681 20.123
17 H GLU 3 HN GLU 3 15.097 -30.704 23.623
18 HA GLU 3 HA GLU 3 12.300 -31.050 23.471
19 HB2 GLU 3 HB2 GLU 3 14.288 -31.702 25.650
20 HB3 GLU 3 HB1 GLU 3 12.594 -32.190 25.695
21 HG2 GLU 3 HG2 GLU 3 12.871 -33.421 23.593
22 HG3 GLU 3 HG1 GLU 3 14.550 -32.888 23.487
23 H ALA 4 HN ALA 4 14.330 -28.912 25.393
24 HA ALA 4 HA ALA 4 11.887 -27.685 26.535
25 HB1 ALA 4 HB1 ALA 4 14.190 -28.714 27.838
26 HB2 ALA 4 HB2 ALA 4 12.809 -27.900 28.558
27 HB3 ALA 4 HB3 ALA 4 14.201 -26.961 28.023
28 H HIS 5 HN HIS 5 11.593 -25.554 26.270
29 HA HIS 5 HA HIS 5 13.094 -24.137 24.318
30 HB2 HIS 5 HB2 HIS 5 10.991 -23.260 26.304
31 HB3 HIS 5 HB1 HIS 5 11.716 -22.171 25.118
32 HD2 HIS 5 HD2 HIS 5 10.764 -22.493 22.498
33 HE1 HIS 5 HE1 HIS 5 8.233 -25.784 23.274
34 HE2 HIS 5 HE2 HIS 5 8.927 -24.083 21.529
35 H GLN 6 HN GLN 6 13.016 -24.030 27.862
36 HA GLN 6 HA GLN 6 14.684 -21.789 28.206
37 HB2 GLN 6 HB2 GLN 6 14.192 -24.174 30.012
38 HB3 GLN 6 HB1 GLN 6 15.034 -22.705 30.503
39 HG2 GLN 6 HG2 GLN 6 12.192 -22.791 29.445
40 HG3 GLN 6 HG1 GLN 6 12.623 -22.675 31.147
41 HE21 GLN 6 HE21 GLN 6 11.551 -20.765 28.734
42 HE22 GLN 6 HE22 GLN 6 12.324 -19.311 29.129
43 H ALA 7 HN ALA 7 15.402 -25.248 27.884
44 HA ALA 7 HA ALA 7 18.151 -25.100 28.485
45 HB1 ALA 7 HB1 ALA 7 18.315 -27.280 27.479
46 HB2 ALA 7 HB2 ALA 7 16.813 -27.031 26.581
47 HB3 ALA 7 HB3 ALA 7 16.777 -27.195 28.337
48 H VAL 8 HN VAL 8 16.352 -24.697 25.480
49 HA VAL 8 HA VAL 8 18.576 -24.555 23.722
50 HB VAL 8 HB VAL 8 15.799 -23.342 23.539
51 HG11 VAL 8 HG11 VAL 8 18.159 -23.295 21.690
52 HG12 VAL 8 HG12 VAL 8 16.934 -22.055 21.976
53 HG13 VAL 8 HG13 VAL 8 16.546 -23.464 20.986
54 HG21 VAL 8 HG21 VAL 8 16.258 -25.389 21.631
55 HG22 VAL 8 HG22 VAL 8 15.197 -25.464 23.045
56 HG23 VAL 8 HG23 VAL 8 16.871 -25.999 23.169
57 H GLY 9 HN GLY 9 16.753 -22.038 25.450
58 HA2 GLY 9 HA2 GLY 9 17.526 -19.992 26.247
59 HA3 GLY 9 HA1 GLY 9 19.102 -20.351 25.554
60 H PHE 10 HN PHE 10 18.827 -17.978 25.031
61 HA PHE 10 HA PHE 10 17.578 -17.717 22.362
62 HB2 PHE 10 HB2 PHE 10 17.553 -15.708 24.624
63 HB3 PHE 10 HB1 PHE 10 17.090 -15.336 22.968
64 HD1 PHE 10 HD2 PHE 10 15.113 -16.453 21.931
65 HD2 PHE 10 HD1 PHE 10 16.124 -16.998 26.066
66 HE1 PHE 10 HE2 PHE 10 12.850 -17.353 22.360
67 HE2 PHE 10 HE1 PHE 10 13.862 -17.905 26.503
68 HZ PHE 10 HZ PHE 10 12.214 -18.081 24.655
69 H ARG 11 HN ARG 11 18.643 -16.361 20.895
70 HA ARG 11 HA ARG 11 21.387 -15.558 21.662
71 HB2 ARG 11 HB2 ARG 11 21.168 -17.637 20.161
72 HB3 ARG 11 HB1 ARG 11 20.632 -16.518 18.906
73 HG2 ARG 11 HG2 ARG 11 22.711 -15.219 19.176
74 HG3 ARG 11 HG1 ARG 11 23.252 -16.345 20.421
75 HD2 ARG 11 HD2 ARG 11 24.216 -16.846 18.164
76 HD3 ARG 11 HD1 ARG 11 23.280 -18.173 18.829
77 HE ARG 11 HE ARG 11 21.495 -16.709 17.298
78 HH11 ARG 11 HH21 ARG 11 24.494 -18.372 16.871
79 HH12 ARG 11 HH22 ARG 11 24.194 -18.777 15.211
80 HH21 ARG 11 HH11 ARG 11 21.093 -17.231 15.117
81 HH22 ARG 11 HH12 ARG 11 22.270 -18.130 14.224
82 HA PRO 12 HA PRO 12 19.028 -11.875 20.103
83 HB2 PRO 12 HB2 PRO 12 20.962 -10.476 21.849
84 HB3 PRO 12 HB1 PRO 12 19.197 -10.351 21.800
85 HG2 PRO 12 HG2 PRO 12 20.501 -11.573 23.792
86 HG3 PRO 12 HG1 PRO 12 18.903 -12.098 23.237
87 HD2 PRO 12 HD2 PRO 12 21.582 -13.338 22.718
88 HD3 PRO 12 HD1 PRO 12 20.000 -14.116 22.940
89 H SER 13 HN SER 13 19.655 -10.443 18.497
90 HA SER 13 HA SER 13 22.132 -10.961 17.163
91 HB2 SER 13 HB2 SER 13 19.884 -9.003 16.712
92 HB3 SER 13 HB1 SER 13 21.355 -8.949 15.746
93 HG SER 13 HG SER 13 20.935 -11.278 15.415
94 H LEU 14 HN LEU 14 23.905 -9.607 16.886
95 HA LEU 14 HA LEU 14 24.176 -7.473 18.910
96 HB2 LEU 14 HB2 LEU 14 25.721 -9.430 19.139
97 HB3 LEU 14 HB1 LEU 14 26.377 -9.043 17.545
98 HG LEU 14 HG LEU 14 27.023 -6.797 18.371
99 HD11 LEU 14 HD11 LEU 14 27.052 -6.864 21.069
100 HD12 LEU 14 HD12 LEU 14 25.559 -7.755 20.772
101 HD13 LEU 14 HD13 LEU 14 25.746 -6.118 20.146
102 HD21 LEU 14 HD21 LEU 14 28.153 -9.309 19.092
103 HD22 LEU 14 HD22 LEU 14 28.372 -8.204 20.453
104 HD23 LEU 14 HD23 LEU 14 28.978 -7.764 18.856
105 H THR 15 HN THR 15 24.368 -5.465 18.237
106 HA THR 15 HA THR 15 25.027 -4.968 15.400
107 HB THR 15 HB THR 15 23.764 -2.890 15.606
108 HG1 THR 15 HG1 THR 15 23.537 -2.129 17.539
109 HG21 THR 15 HG21 THR 15 21.982 -4.118 15.029
110 HG22 THR 15 HG22 THR 15 21.647 -4.415 16.739
111 HG23 THR 15 HG23 THR 15 22.680 -5.525 15.833
112 H SER 16 HN SER 16 26.431 -4.930 18.351
113 HA SER 16 HA SER 16 27.627 -2.393 18.558
114 HB2 SER 16 HB2 SER 16 29.302 -3.529 19.983
115 HB3 SER 16 HB1 SER 16 27.657 -4.013 20.385
116 HG SER 16 HG SER 16 28.128 -5.975 19.801
117 H ASP 17 HN ASP 17 28.436 -5.236 16.639
118 HA ASP 17 HA ASP 17 30.955 -4.054 15.739
119 HB2 ASP 17 HB2 ASP 17 31.174 -6.174 14.449
120 HB3 ASP 17 HB1 ASP 17 30.964 -6.440 16.179
121 H GLY 18 HN GLY 18 27.837 -3.550 14.978
122 HA2 GLY 18 HA2 GLY 18 27.838 -3.730 12.128
123 HA3 GLY 18 HA1 GLY 18 26.697 -2.809 13.105
124 H ALA 19 HN ALA 19 27.727 -1.850 10.676
125 HA ALA 19 HA ALA 19 29.099 0.558 11.636
126 HB1 ALA 19 HB1 ALA 19 30.113 -1.129 9.332
127 HB2 ALA 19 HB2 ALA 19 30.918 -0.892 10.885
128 HB3 ALA 19 HB3 ALA 19 30.728 0.465 9.773
129 H GLU 20 HN GLU 20 28.785 2.396 10.363
130 HA GLU 20 HA GLU 20 26.336 2.486 8.922
131 HB2 GLU 20 HB2 GLU 20 28.592 4.489 9.157
132 HB3 GLU 20 HB1 GLU 20 27.065 4.812 8.336
133 HG2 GLU 20 HG2 GLU 20 25.811 4.375 10.379
134 HG3 GLU 20 HG1 GLU 20 27.285 3.902 11.220
135 H VAL 21 HN VAL 21 29.715 2.294 7.945
136 HA VAL 21 HA VAL 21 28.844 1.972 5.139
137 HB VAL 21 HB VAL 21 31.326 3.246 6.283
138 HG11 VAL 21 HG11 VAL 21 31.916 3.486 3.803
139 HG12 VAL 21 HG12 VAL 21 30.746 2.197 3.517
140 HG13 VAL 21 HG13 VAL 21 32.160 1.898 4.527
141 HG21 VAL 21 HG21 VAL 21 29.398 4.710 6.052
142 HG22 VAL 21 HG22 VAL 21 29.142 4.172 4.389
143 HG23 VAL 21 HG23 VAL 21 30.578 5.110 4.805
144 H GLU 22 HN GLU 22 29.399 0.120 4.155
145 HA GLU 22 HA GLU 22 30.421 -2.055 5.646
146 HB2 GLU 22 HB2 GLU 22 28.895 -2.299 3.730
147 HB3 GLU 22 HB1 GLU 22 30.176 -1.772 2.644
148 HG2 GLU 22 HG2 GLU 22 31.561 -3.691 3.330
149 HG3 GLU 22 HG1 GLU 22 30.299 -4.204 4.451
150 H LEU 23 HN LEU 23 31.960 0.062 3.227
151 HA LEU 23 HA LEU 23 34.551 -1.207 3.912
152 HB2 LEU 23 HB2 LEU 23 33.764 0.254 1.384
153 HB3 LEU 23 HB1 LEU 23 35.336 -0.465 1.703
154 HG LEU 23 HG LEU 23 32.714 -1.988 1.609
155 HD11 LEU 23 HD11 LEU 23 34.801 -1.321 -0.410
156 HD12 LEU 23 HD12 LEU 23 33.078 -1.643 -0.626
157 HD13 LEU 23 HD13 LEU 23 34.205 -2.983 -0.410
158 HD21 LEU 23 HD21 LEU 23 35.551 -2.714 2.276
159 HD22 LEU 23 HD22 LEU 23 34.565 -3.890 1.407
160 HD23 LEU 23 HD23 LEU 23 34.051 -3.304 2.989
161 H SER 24 HN SER 24 35.842 -0.005 5.123
162 HA SER 24 HA SER 24 36.097 2.851 4.593
163 HB2 SER 24 HB2 SER 24 35.213 1.678 7.219
164 HB3 SER 24 HB1 SER 24 36.047 3.227 7.141
165 HG SER 24 HG SER 24 33.487 2.708 6.679
166 H ALA 25 HN ALA 25 37.137 1.104 7.468
167 HA ALA 25 HA ALA 25 39.747 1.943 7.440
168 HB1 ALA 25 HB1 ALA 25 39.773 -0.696 8.490
169 HB2 ALA 25 HB2 ALA 25 38.214 0.019 8.887
170 HB3 ALA 25 HB3 ALA 25 39.703 0.833 9.373
171 HA PRO 26 HA PRO 26 41.051 -2.206 5.134
172 HB2 PRO 26 HB2 PRO 26 38.667 -2.390 3.347
173 HB3 PRO 26 HB1 PRO 26 39.623 -3.683 4.097
174 HG2 PRO 26 HG2 PRO 26 37.204 -3.049 5.010
175 HG3 PRO 26 HG1 PRO 26 38.509 -3.535 6.100
176 HD2 PRO 26 HD2 PRO 26 37.386 -0.802 5.610
177 HD3 PRO 26 HD1 PRO 26 38.046 -1.504 7.100
178 H VAL 27 HN VAL 27 38.922 0.132 3.470
179 HA VAL 27 HA VAL 27 40.506 0.327 1.099
180 HB VAL 27 HB VAL 27 38.466 2.192 2.327
181 HG11 VAL 27 HG11 VAL 27 38.593 2.809 -0.340
182 HG12 VAL 27 HG12 VAL 27 40.288 2.481 0.018
183 HG13 VAL 27 HG13 VAL 27 39.419 3.711 0.932
184 HG21 VAL 27 HG21 VAL 27 37.890 -0.181 1.407
185 HG22 VAL 27 HG22 VAL 27 38.184 0.544 -0.174
186 HG23 VAL 27 HG23 VAL 27 36.916 1.189 0.872
187 H LEU 28 HN LEU 28 40.292 2.171 4.091
188 HA LEU 28 HA LEU 28 42.130 4.207 3.427
189 HB2 LEU 28 HB2 LEU 28 41.297 3.055 6.095
190 HB3 LEU 28 HB1 LEU 28 42.350 4.451 5.934
191 HG LEU 28 HG LEU 28 39.593 4.273 4.676
192 HD11 LEU 28 HD11 LEU 28 39.051 4.323 6.939
193 HD12 LEU 28 HD12 LEU 28 39.188 6.053 6.591
194 HD13 LEU 28 HD13 LEU 28 40.518 5.199 7.379
195 HD21 LEU 28 HD21 LEU 28 40.408 6.059 3.546
196 HD22 LEU 28 HD22 LEU 28 41.812 6.208 4.599
197 HD23 LEU 28 HD23 LEU 28 40.276 6.932 5.070
198 H GLN 29 HN GLN 29 42.592 1.032 4.969
199 HA GLN 29 HA GLN 29 45.333 1.384 5.552
200 HB2 GLN 29 HB2 GLN 29 43.670 -1.085 5.087
201 HB3 GLN 29 HB1 GLN 29 45.360 -1.152 5.590
202 HG2 GLN 29 HG2 GLN 29 44.838 0.164 7.600
203 HG3 GLN 29 HG1 GLN 29 43.156 0.293 7.087
204 HE21 GLN 29 HE21 GLN 29 45.142 -1.465 9.116
205 HE22 GLN 29 HE22 GLN 29 44.234 -2.893 9.206
206 H GLU 30 HN GLU 30 43.664 0.092 2.695
207 HA GLU 30 HA GLU 30 46.026 -0.728 1.342
208 HB2 GLU 30 HB2 GLU 30 43.755 -1.531 0.767
209 HB3 GLU 30 HB1 GLU 30 43.347 0.084 0.195
210 HG2 GLU 30 HG2 GLU 30 43.958 -1.231 -1.729
211 HG3 GLU 30 HG1 GLU 30 45.283 -0.113 -1.439
212 H ILE 31 HN ILE 31 44.144 2.298 1.331
213 HA ILE 31 HA ILE 31 45.663 3.586 -0.690
214 HB ILE 31 HB ILE 31 44.016 4.685 1.604
215 HG12 ILE 31 HG12 ILE 31 43.449 4.600 -1.379
216 HG13 ILE 31 HG11 ILE 31 42.930 3.325 -0.276
217 HG21 ILE 31 HG21 ILE 31 45.187 6.595 1.149
218 HG22 ILE 31 HG22 ILE 31 44.119 6.673 -0.250
219 HG23 ILE 31 HG23 ILE 31 45.740 6.003 -0.416
220 HD11 ILE 31 HD11 ILE 31 41.672 4.970 1.053
221 HD12 ILE 31 HD12 ILE 31 41.134 4.993 -0.628
222 HD13 ILE 31 HD13 ILE 31 42.201 6.262 -0.021
223 H TYR 32 HN TYR 32 45.943 3.500 2.874
224 HA TYR 32 HA TYR 32 48.090 5.310 3.079
225 HB2 TYR 32 HB2 TYR 32 46.814 4.640 5.032
226 HB3 TYR 32 HB1 TYR 32 47.331 2.962 4.832
227 HD1 TYR 32 HD1 TYR 32 48.573 6.414 5.463
228 HD2 TYR 32 HD2 TYR 32 49.398 2.210 5.736
229 HE1 TYR 32 HE1 TYR 32 50.618 6.903 6.786
230 HE2 TYR 32 HE2 TYR 32 51.445 2.694 7.061
231 HH TYR 32 HH TYR 32 52.493 4.330 8.280
232 H LEU 33 HN LEU 33 48.042 1.779 2.782
233 HA LEU 33 HA LEU 33 50.839 1.403 2.911
234 HB2 LEU 33 HB2 LEU 33 49.238 -0.437 3.171
235 HB3 LEU 33 HB1 LEU 33 48.748 -0.262 1.492
236 HG LEU 33 HG LEU 33 51.029 -0.823 0.745
237 HD11 LEU 33 HD11 LEU 33 51.570 -0.695 3.690
238 HD12 LEU 33 HD12 LEU 33 52.582 -0.166 2.344
239 HD13 LEU 33 HD13 LEU 33 52.459 -1.881 2.735
240 HD21 LEU 33 HD21 LEU 33 49.166 -2.541 1.871
241 HD22 LEU 33 HD22 LEU 33 50.684 -3.036 2.610
242 HD23 LEU 33 HD23 LEU 33 50.522 -3.020 0.854
243 H SER 34 HN SER 34 48.649 1.953 0.189
244 HA SER 34 HA SER 34 50.616 1.669 -1.856
245 HB2 SER 34 HB2 SER 34 48.970 2.815 -3.300
246 HB3 SER 34 HB1 SER 34 48.229 1.512 -2.372
247 HG SER 34 HG SER 34 46.931 3.308 -2.160
248 H GLY 35 HN GLY 35 49.441 4.418 0.044
249 HA2 GLY 35 HA2 GLY 35 50.761 6.452 -1.425
250 HA3 GLY 35 HA1 GLY 35 50.222 6.577 0.244
251 H LEU 36 HN LEU 36 51.773 4.463 1.358
252 HA LEU 36 HA LEU 36 54.166 5.832 1.910
253 HB2 LEU 36 HB2 LEU 36 53.204 4.179 3.454
254 HB3 LEU 36 HB1 LEU 36 53.533 2.898 2.289
255 HG LEU 36 HG LEU 36 55.960 3.365 2.456
256 HD11 LEU 36 HD11 LEU 36 56.280 5.605 2.977
257 HD12 LEU 36 HD12 LEU 36 56.497 4.877 4.572
258 HD13 LEU 36 HD13 LEU 36 54.960 5.622 4.147
259 HD21 LEU 36 HD21 LEU 36 54.825 1.761 4.024
260 HD22 LEU 36 HD22 LEU 36 54.721 3.066 5.206
261 HD23 LEU 36 HD23 LEU 36 56.297 2.469 4.686
262 H ARG 37 HN ARG 37 53.507 3.120 -0.314
263 HA ARG 37 HA ARG 37 56.219 2.669 -1.037
264 HB2 ARG 37 HB2 ARG 37 53.637 2.159 -2.511
265 HB3 ARG 37 HB1 ARG 37 55.210 1.650 -3.137
266 HG2 ARG 37 HG2 ARG 37 55.603 0.338 -1.090
267 HG3 ARG 37 HG1 ARG 37 54.049 0.874 -0.439
268 HD2 ARG 37 HD2 ARG 37 54.344 -0.618 -3.055
269 HD3 ARG 37 HD1 ARG 37 53.993 -1.407 -1.519
270 HE ARG 37 HE ARG 37 52.126 0.679 -1.891
271 HH11 ARG 37 HH21 ARG 37 53.069 -2.368 -3.230
272 HH12 ARG 37 HH22 ARG 37 51.483 -2.774 -3.794
273 HH21 ARG 37 HH11 ARG 37 50.047 0.170 -2.656
274 HH22 ARG 37 HH12 ARG 37 49.776 -1.331 -3.475
275 H SER 38 HN SER 38 53.718 4.824 -2.322
276 HA SER 38 HA SER 38 55.326 5.836 -4.490
277 HB2 SER 38 HB2 SER 38 53.569 7.600 -4.647
278 HB3 SER 38 HB1 SER 38 52.894 5.975 -4.638
279 HG SER 38 HG SER 38 53.280 7.117 -2.153
280 H TRP 39 HN TRP 39 54.783 6.594 -1.156
281 HA TRP 39 HA TRP 39 55.769 9.267 -1.116
282 HB2 TRP 39 HB2 TRP 39 54.515 8.233 0.751
283 HB3 TRP 39 HB1 TRP 39 55.911 7.205 1.078
284 HD1 TRP 39 HD1 TRP 39 57.676 8.165 2.664
285 HE1 TRP 39 HE1 TRP 39 58.159 10.489 3.662
286 HE3 TRP 39 HE3 TRP 39 54.283 10.999 0.067
287 HZ2 TRP 39 HZ2 TRP 39 57.239 13.177 3.421
288 HZ3 TRP 39 HZ3 TRP 39 54.128 13.438 0.487
289 HH2 TRP 39 HH2 TRP 39 55.586 14.535 2.157
290 H LYS 40 HN LYS 40 57.441 6.142 -0.900
291 HA LYS 40 HA LYS 40 59.945 7.078 -0.070
292 HB2 LYS 40 HB2 LYS 40 59.190 4.753 -1.850
293 HB3 LYS 40 HB1 LYS 40 60.815 5.042 -1.218
294 HG2 LYS 40 HG2 LYS 40 59.953 4.960 1.089
295 HG3 LYS 40 HG1 LYS 40 58.319 4.708 0.468
296 HD2 LYS 40 HD2 LYS 40 59.004 2.618 -0.597
297 HD3 LYS 40 HD1 LYS 40 60.661 2.852 -0.032
298 HE2 LYS 40 HE2 LYS 40 59.880 2.773 2.296
299 HE3 LYS 40 HE1 LYS 40 58.221 2.543 1.741
300 HZ1 LYS 40 HZ1 LYS 40 58.630 0.411 1.168
301 HZ2 LYS 40 HZ2 LYS 40 59.884 0.552 2.305
302 HZ3 LYS 40 HZ3 LYS 40 60.211 0.738 0.649
303 H ARG 41 HN ARG 41 58.486 6.974 -3.378
304 HA ARG 41 HA ARG 41 60.921 7.674 -4.671
305 HB2 ARG 41 HB2 ARG 41 58.911 6.796 -5.853
306 HB3 ARG 41 HB1 ARG 41 58.080 8.316 -5.514
307 HG2 ARG 41 HG2 ARG 41 59.864 9.545 -6.745
308 HG3 ARG 41 HG1 ARG 41 60.633 8.002 -7.126
309 HD2 ARG 41 HD2 ARG 41 57.802 8.736 -7.911
310 HD3 ARG 41 HD1 ARG 41 59.187 8.888 -8.986
311 HE ARG 41 HE ARG 41 57.851 6.426 -8.195
312 HH11 ARG 41 HH21 ARG 41 60.687 7.951 -9.510
313 HH12 ARG 41 HH22 ARG 41 61.250 6.515 -10.306
314 HH21 ARG 41 HH11 ARG 41 58.574 4.559 -9.235
315 HH22 ARG 41 HH12 ARG 41 60.046 4.580 -10.139
316 H HIS 42 HN HIS 42 58.234 9.485 -3.434
317 HA HIS 42 HA HIS 42 59.197 12.124 -4.030
318 HB2 HIS 42 HB2 HIS 42 57.089 11.116 -2.119
319 HB3 HIS 42 HB1 HIS 42 57.443 12.829 -2.332
320 HD2 HIS 42 HD2 HIS 42 56.397 13.973 -4.680
321 HE1 HIS 42 HE1 HIS 42 54.874 10.422 -6.376
322 HE2 HIS 42 HE2 HIS 42 55.009 12.949 -6.625
323 H LEU 43 HN LEU 43 59.541 9.969 -1.324
324 HA LEU 43 HA LEU 43 60.744 11.914 0.451
325 HB2 LEU 43 HB2 LEU 43 59.319 9.848 1.094
326 HB3 LEU 43 HB1 LEU 43 60.813 8.950 0.884
327 HG LEU 43 HG LEU 43 61.927 10.527 2.495
328 HD11 LEU 43 HD11 LEU 43 59.320 11.842 2.289
329 HD12 LEU 43 HD12 LEU 43 60.840 12.457 2.929
330 HD13 LEU 43 HD13 LEU 43 59.772 11.503 3.959
331 HD21 LEU 43 HD21 LEU 43 59.959 8.474 3.032
332 HD22 LEU 43 HD22 LEU 43 60.011 9.639 4.355
333 HD23 LEU 43 HD23 LEU 43 61.484 8.801 3.856
334 H SER 44 HN SER 44 61.855 10.140 -2.157
335 HA SER 44 HA SER 44 64.254 9.055 -1.427
336 HB2 SER 44 HB2 SER 44 65.000 9.448 -3.750
337 HB3 SER 44 HB1 SER 44 63.346 8.855 -3.687
338 HG SER 44 HG SER 44 62.884 11.283 -3.616
339 H ARG 45 HN ARG 45 63.735 12.537 -2.229
340 HA ARG 45 HA ARG 45 66.455 13.226 -2.139
341 HB2 ARG 45 HB2 ARG 45 63.969 14.834 -1.536
342 HB3 ARG 45 HB1 ARG 45 65.585 15.543 -1.564
343 HG2 ARG 45 HG2 ARG 45 65.895 14.763 -3.884
344 HG3 ARG 45 HG1 ARG 45 64.290 14.029 -3.851
345 HD2 ARG 45 HD2 ARG 45 64.826 16.976 -3.407
346 HD3 ARG 45 HD1 ARG 45 64.322 16.280 -4.940
347 HE ARG 45 HE ARG 45 62.655 16.660 -2.585
348 HH11 ARG 45 HH21 ARG 45 63.139 15.043 -5.605
349 HH12 ARG 45 HH22 ARG 45 61.458 14.712 -5.850
350 HH21 ARG 45 HH11 ARG 45 60.448 16.224 -2.902
351 HH22 ARG 45 HH12 ARG 45 59.938 15.370 -4.322
352 H PHE 46 HN PHE 46 64.023 13.376 0.456
353 HA PHE 46 HA PHE 46 65.828 14.250 2.459
354 HB2 PHE 46 HB2 PHE 46 63.157 12.841 2.636
355 HB3 PHE 46 HB1 PHE 46 64.043 13.448 4.034
356 HD1 PHE 46 HD1 PHE 46 64.459 15.891 4.309
357 HD2 PHE 46 HD2 PHE 46 62.044 14.348 1.107
358 HE1 PHE 46 HE1 PHE 46 63.570 18.165 3.895
359 HE2 PHE 46 HE2 PHE 46 61.140 16.629 0.698
360 HZ PHE 46 HZ PHE 46 61.902 18.528 2.091
361 H TRP 47 HN TRP 47 64.702 11.080 1.434
362 HA TRP 47 HA TRP 47 65.844 9.543 3.498
363 HB2 TRP 47 HB2 TRP 47 64.144 8.698 1.931
364 HB3 TRP 47 HB1 TRP 47 65.332 8.739 0.627
365 HD1 TRP 47 HD1 TRP 47 66.771 6.645 0.341
366 HE1 TRP 47 HE1 TRP 47 67.246 4.540 1.751
367 HE3 TRP 47 HE3 TRP 47 64.314 7.889 4.632
368 HZ2 TRP 47 HZ2 TRP 47 66.665 3.524 4.357
369 HZ3 TRP 47 HZ3 TRP 47 64.293 6.340 6.566
370 HH2 TRP 47 HH2 TRP 47 65.461 4.167 6.431
371 H ASN 48 HN ASN 48 67.127 10.558 0.359
372 HA ASN 48 HA ASN 48 69.538 9.078 0.451
373 HB2 ASN 48 HB2 ASN 48 68.781 11.652 -0.947
374 HB3 ASN 48 HB1 ASN 48 70.334 10.854 -1.175
375 HD21 ASN 48 HD21 ASN 48 68.845 8.130 -0.828
376 HD22 ASN 48 HD22 ASN 48 68.137 7.888 -2.349
377 H ASP 49 HN ASP 49 68.695 12.332 1.582
378 HA ASP 49 HA ASP 49 71.405 12.750 2.594
379 HB2 ASP 49 HB2 ASP 49 70.169 14.604 1.509
380 HB3 ASP 49 HB1 ASP 49 68.941 14.492 2.766
381 H PHE 50 HN PHE 50 71.911 11.810 4.477
382 HA PHE 50 HA PHE 50 69.820 11.393 6.500
383 HB2 PHE 50 HB2 PHE 50 71.207 9.451 5.964
384 HB3 PHE 50 HB1 PHE 50 72.666 10.369 6.348
385 HD1 PHE 50 HD2 PHE 50 69.419 9.243 7.845
386 HD2 PHE 50 HD1 PHE 50 73.484 10.434 8.553
387 HE1 PHE 50 HE2 PHE 50 69.170 8.662 10.234
388 HE2 PHE 50 HE1 PHE 50 73.237 9.841 10.950
389 HZ PHE 50 HZ PHE 50 71.082 8.952 11.792
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 49.288 -20.139 1.484
2 H2 MET 1 HT2 MET 1 48.442 -18.746 1.003
3 H3 MET 1 HT3 MET 1 49.400 -19.591 -0.117
4 HA MET 1 HA MET 1 47.293 -20.295 -0.677
5 HB2 MET 1 HB2 MET 1 48.414 -22.205 1.393
6 HB3 MET 1 HB1 MET 1 47.103 -22.616 0.286
7 HG2 MET 1 HG2 MET 1 48.569 -22.131 -1.639
8 HG3 MET 1 HG1 MET 1 49.882 -21.722 -0.535
9 HE1 MET 1 HE1 MET 1 50.729 -24.831 -2.455
10 HE2 MET 1 HE2 MET 1 51.767 -24.134 -1.214
11 HE3 MET 1 HE3 MET 1 50.824 -23.076 -2.260
12 H ALA 2 HN ALA 2 47.702 -19.409 2.608
13 HA ALA 2 HA ALA 2 44.815 -19.104 2.915
14 HB1 ALA 2 HB1 ALA 2 45.614 -21.405 3.837
15 HB2 ALA 2 HB2 ALA 2 44.578 -20.399 4.849
16 HB3 ALA 2 HB3 ALA 2 46.316 -20.451 5.144
17 H GLU 3 HN GLU 3 44.235 -17.583 4.518
18 HA GLU 3 HA GLU 3 46.086 -15.464 4.873
19 HB2 GLU 3 HB2 GLU 3 43.409 -16.029 6.165
20 HB3 GLU 3 HB1 GLU 3 44.315 -14.533 6.396
21 HG2 GLU 3 HG2 GLU 3 44.260 -14.087 3.995
22 HG3 GLU 3 HG1 GLU 3 43.440 -15.620 3.706
23 H ALA 4 HN ALA 4 44.923 -18.037 7.014
24 HA ALA 4 HA ALA 4 46.248 -17.092 9.351
25 HB1 ALA 4 HB1 ALA 4 44.327 -18.841 9.107
26 HB2 ALA 4 HB2 ALA 4 45.538 -19.071 10.368
27 HB3 ALA 4 HB3 ALA 4 45.641 -19.994 8.869
28 H HIS 5 HN HIS 5 48.234 -17.594 10.201
29 HA HIS 5 HA HIS 5 50.327 -18.245 8.397
30 HB2 HIS 5 HB2 HIS 5 50.090 -17.702 11.310
31 HB3 HIS 5 HB1 HIS 5 51.523 -18.580 10.776
32 HD2 HIS 5 HD2 HIS 5 50.221 -14.968 10.849
33 HE1 HIS 5 HE1 HIS 5 53.525 -14.986 8.221
34 HE2 HIS 5 HE2 HIS 5 51.904 -13.502 9.493
35 H GLN 6 HN GLN 6 48.625 -20.087 10.897
36 HA GLN 6 HA GLN 6 49.619 -22.566 9.670
37 HB2 GLN 6 HB2 GLN 6 49.798 -21.880 12.611
38 HB3 GLN 6 HB1 GLN 6 49.986 -23.512 11.970
39 HG2 GLN 6 HG2 GLN 6 51.881 -22.780 10.595
40 HG3 GLN 6 HG1 GLN 6 51.675 -21.126 11.167
41 HE21 GLN 6 HE21 GLN 6 54.107 -21.813 11.793
42 HE22 GLN 6 HE22 GLN 6 54.283 -22.405 13.374
43 H ALA 7 HN ALA 7 48.309 -24.427 10.155
44 HA ALA 7 HA ALA 7 45.531 -23.894 10.139
45 HB1 ALA 7 HB1 ALA 7 45.273 -26.338 10.314
46 HB2 ALA 7 HB2 ALA 7 46.984 -26.490 10.713
47 HB3 ALA 7 HB3 ALA 7 46.499 -25.910 9.120
48 H VAL 8 HN VAL 8 47.769 -24.884 12.683
49 HA VAL 8 HA VAL 8 45.654 -24.334 14.674
50 HB VAL 8 HB VAL 8 45.864 -26.714 14.666
51 HG11 VAL 8 HG11 VAL 8 48.861 -26.271 14.815
52 HG12 VAL 8 HG12 VAL 8 47.981 -26.821 13.388
53 HG13 VAL 8 HG13 VAL 8 48.049 -27.837 14.828
54 HG21 VAL 8 HG21 VAL 8 46.508 -27.107 16.910
55 HG22 VAL 8 HG22 VAL 8 46.057 -25.402 16.893
56 HG23 VAL 8 HG23 VAL 8 47.758 -25.865 16.858
57 H GLY 9 HN GLY 9 46.254 -23.039 16.332
58 HA2 GLY 9 HA2 GLY 9 48.873 -21.797 16.194
59 HA3 GLY 9 HA1 GLY 9 47.548 -21.334 17.257
60 H PHE 10 HN PHE 10 50.028 -21.374 18.316
61 HA PHE 10 HA PHE 10 50.895 -23.815 19.437
62 HB2 PHE 10 HB2 PHE 10 51.256 -20.952 20.344
63 HB3 PHE 10 HB1 PHE 10 52.064 -22.326 21.099
64 HD1 PHE 10 HD1 PHE 10 53.696 -23.688 19.824
65 HD2 PHE 10 HD2 PHE 10 51.907 -20.157 18.159
66 HE1 PHE 10 HE1 PHE 10 55.432 -23.645 18.054
67 HE2 PHE 10 HE2 PHE 10 53.642 -20.112 16.387
68 HZ PHE 10 HZ PHE 10 55.404 -21.857 16.335
69 H ARG 11 HN ARG 11 48.705 -21.307 20.645
70 HA ARG 11 HA ARG 11 47.321 -23.207 22.298
71 HB2 ARG 11 HB2 ARG 11 49.517 -21.841 23.454
72 HB3 ARG 11 HB1 ARG 11 48.051 -21.124 24.125
73 HG2 ARG 11 HG2 ARG 11 47.211 -23.423 24.634
74 HG3 ARG 11 HG1 ARG 11 48.755 -24.073 24.080
75 HD2 ARG 11 HD2 ARG 11 49.569 -22.125 25.834
76 HD3 ARG 11 HD1 ARG 11 48.091 -22.700 26.600
77 HE ARG 11 HE ARG 11 49.373 -25.010 26.002
78 HH11 ARG 11 HH21 ARG 11 50.349 -22.053 27.513
79 HH12 ARG 11 HH22 ARG 11 51.531 -22.803 28.532
80 HH21 ARG 11 HH11 ARG 11 50.921 -26.000 27.336
81 HH22 ARG 11 HH12 ARG 11 51.856 -25.038 28.432
82 HA PRO 12 HA PRO 12 45.327 -18.776 22.606
83 HB2 PRO 12 HB2 PRO 12 46.630 -17.381 20.345
84 HB3 PRO 12 HB1 PRO 12 46.289 -16.798 21.984
85 HG2 PRO 12 HG2 PRO 12 48.771 -17.373 21.180
86 HG3 PRO 12 HG1 PRO 12 48.229 -17.665 22.843
87 HD2 PRO 12 HD2 PRO 12 48.596 -19.625 20.607
88 HD3 PRO 12 HD1 PRO 12 48.958 -19.814 22.337
89 H SER 13 HN SER 13 43.404 -18.337 21.534
90 HA SER 13 HA SER 13 42.617 -20.110 19.471
91 HB2 SER 13 HB2 SER 13 41.292 -17.590 20.495
92 HB3 SER 13 HB1 SER 13 40.531 -18.766 19.427
93 HG SER 13 HG SER 13 39.970 -19.498 21.370
94 H LEU 14 HN LEU 14 42.156 -19.745 17.305
95 HA LEU 14 HA LEU 14 43.917 -18.056 15.892
96 HB2 LEU 14 HB2 LEU 14 41.413 -19.516 15.042
97 HB3 LEU 14 HB1 LEU 14 42.455 -18.655 13.913
98 HG LEU 14 HG LEU 14 43.422 -20.839 15.783
99 HD11 LEU 14 HD11 LEU 14 43.569 -22.127 13.548
100 HD12 LEU 14 HD12 LEU 14 42.429 -20.927 12.939
101 HD13 LEU 14 HD13 LEU 14 41.979 -21.962 14.294
102 HD21 LEU 14 HD21 LEU 14 45.371 -19.758 15.200
103 HD22 LEU 14 HD22 LEU 14 44.693 -19.094 13.716
104 HD23 LEU 14 HD23 LEU 14 45.208 -20.777 13.773
105 H THR 15 HN THR 15 40.483 -17.731 16.715
106 HA THR 15 HA THR 15 40.672 -14.864 16.023
107 HB THR 15 HB THR 15 38.428 -14.928 15.086
108 HG1 THR 15 HG1 THR 15 38.464 -17.730 15.260
109 HG21 THR 15 HG21 THR 15 39.962 -17.219 13.856
110 HG22 THR 15 HG22 THR 15 40.498 -15.545 13.705
111 HG23 THR 15 HG23 THR 15 38.938 -16.035 13.046
112 H SER 16 HN SER 16 39.128 -13.512 17.145
113 HA SER 16 HA SER 16 37.698 -14.633 19.410
114 HB2 SER 16 HB2 SER 16 38.886 -13.118 21.028
115 HB3 SER 16 HB1 SER 16 39.871 -14.447 20.421
116 HG SER 16 HG SER 16 39.834 -11.966 19.091
117 H ASP 17 HN ASP 17 36.464 -12.945 20.575
118 HA ASP 17 HA ASP 17 35.157 -11.203 18.753
119 HB2 ASP 17 HB2 ASP 17 35.058 -11.560 21.742
120 HB3 ASP 17 HB1 ASP 17 34.153 -10.274 20.948
121 H GLY 18 HN GLY 18 35.314 -9.028 18.430
122 HA2 GLY 18 HA2 GLY 18 36.851 -7.288 20.109
123 HA3 GLY 18 HA1 GLY 18 37.721 -7.708 18.637
124 H ALA 19 HN ALA 19 37.117 -5.093 19.037
125 HA ALA 19 HA ALA 19 34.612 -4.271 17.964
126 HB1 ALA 19 HB1 ALA 19 36.096 -2.826 19.360
127 HB2 ALA 19 HB2 ALA 19 35.596 -2.059 17.852
128 HB3 ALA 19 HB3 ALA 19 37.220 -2.734 18.003
129 H GLU 20 HN GLU 20 34.022 -3.704 15.913
130 HA GLU 20 HA GLU 20 36.004 -3.994 13.757
131 HB2 GLU 20 HB2 GLU 20 33.335 -5.411 13.910
132 HB3 GLU 20 HB1 GLU 20 34.288 -5.270 12.433
133 HG2 GLU 20 HG2 GLU 20 36.162 -6.430 13.490
134 HG3 GLU 20 HG1 GLU 20 35.283 -6.507 15.016
135 H VAL 21 HN VAL 21 35.564 -2.769 11.911
136 HA VAL 21 HA VAL 21 33.197 -1.008 12.028
137 HB VAL 21 HB VAL 21 34.622 0.881 11.292
138 HG11 VAL 21 HG11 VAL 21 34.085 0.541 13.691
139 HG12 VAL 21 HG12 VAL 21 35.672 1.280 13.475
140 HG13 VAL 21 HG13 VAL 21 35.543 -0.436 13.865
141 HG21 VAL 21 HG21 VAL 21 36.694 0.447 10.522
142 HG22 VAL 21 HG22 VAL 21 36.532 -1.246 10.987
143 HG23 VAL 21 HG23 VAL 21 37.165 -0.071 12.140
144 H GLU 22 HN GLU 22 32.652 -0.030 9.964
145 HA GLU 22 HA GLU 22 33.756 -1.437 7.618
146 HB2 GLU 22 HB2 GLU 22 30.827 -1.083 8.298
147 HB3 GLU 22 HB1 GLU 22 31.424 -1.617 6.727
148 HG2 GLU 22 HG2 GLU 22 32.001 -3.019 9.353
149 HG3 GLU 22 HG1 GLU 22 30.759 -3.518 8.207
150 H LEU 23 HN LEU 23 34.001 1.309 8.819
151 HA LEU 23 HA LEU 23 32.562 3.178 7.264
152 HB2 LEU 23 HB2 LEU 23 33.738 3.802 9.328
153 HB3 LEU 23 HB1 LEU 23 35.285 3.425 8.574
154 HG LEU 23 HG LEU 23 34.939 5.203 6.913
155 HD11 LEU 23 HD11 LEU 23 32.926 6.792 7.576
156 HD12 LEU 23 HD12 LEU 23 32.244 5.300 8.219
157 HD13 LEU 23 HD13 LEU 23 32.662 5.414 6.509
158 HD21 LEU 23 HD21 LEU 23 36.052 5.896 8.933
159 HD22 LEU 23 HD22 LEU 23 34.522 6.009 9.803
160 HD23 LEU 23 HD23 LEU 23 34.894 7.160 8.520
161 H SER 24 HN SER 24 35.717 1.631 6.814
162 HA SER 24 HA SER 24 35.820 1.265 4.155
163 HB2 SER 24 HB2 SER 24 36.094 4.177 4.746
164 HB3 SER 24 HB1 SER 24 37.141 3.494 3.507
165 HG SER 24 HG SER 24 34.603 2.577 3.292
166 H ALA 25 HN ALA 25 37.092 0.983 6.937
167 HA ALA 25 HA ALA 25 39.747 1.658 6.975
168 HB1 ALA 25 HB1 ALA 25 39.599 0.526 8.887
169 HB2 ALA 25 HB2 ALA 25 39.583 -0.990 7.987
170 HB3 ALA 25 HB3 ALA 25 38.067 -0.175 8.371
171 HA PRO 26 HA PRO 26 40.807 -2.559 4.684
172 HB2 PRO 26 HB2 PRO 26 38.476 -2.586 2.838
173 HB3 PRO 26 HB1 PRO 26 39.313 -3.940 3.618
174 HG2 PRO 26 HG2 PRO 26 36.919 -3.124 4.442
175 HG3 PRO 26 HG1 PRO 26 38.147 -3.702 5.583
176 HD2 PRO 26 HD2 PRO 26 37.248 -0.904 5.039
177 HD3 PRO 26 HD1 PRO 26 37.805 -1.637 6.558
178 H VAL 27 HN VAL 27 38.869 -0.191 2.797
179 HA VAL 27 HA VAL 27 40.719 -0.199 0.604
180 HB VAL 27 HB VAL 27 39.441 1.813 -0.166
181 HG11 VAL 27 HG11 VAL 27 38.408 -0.891 0.384
182 HG12 VAL 27 HG12 VAL 27 38.416 0.024 -1.124
183 HG13 VAL 27 HG13 VAL 27 37.154 0.309 0.075
184 HG21 VAL 27 HG21 VAL 27 37.441 2.463 1.069
185 HG22 VAL 27 HG22 VAL 27 38.839 2.617 2.133
186 HG23 VAL 27 HG23 VAL 27 37.760 1.232 2.290
187 H LEU 28 HN LEU 28 40.235 1.795 3.465
188 HA LEU 28 HA LEU 28 42.037 3.872 2.780
189 HB2 LEU 28 HB2 LEU 28 41.106 2.838 5.464
190 HB3 LEU 28 HB1 LEU 28 42.166 4.233 5.299
191 HG LEU 28 HG LEU 28 39.480 3.989 3.911
192 HD11 LEU 28 HD11 LEU 28 38.758 5.690 5.648
193 HD12 LEU 28 HD12 LEU 28 40.232 5.296 6.532
194 HD13 LEU 28 HD13 LEU 28 39.009 4.055 6.262
195 HD21 LEU 28 HD21 LEU 28 40.140 6.669 4.247
196 HD22 LEU 28 HD22 LEU 28 40.300 5.747 2.753
197 HD23 LEU 28 HD23 LEU 28 41.681 5.922 3.832
198 H GLN 29 HN GLN 29 42.496 0.793 4.466
199 HA GLN 29 HA GLN 29 45.195 1.163 5.212
200 HB2 GLN 29 HB2 GLN 29 43.758 -0.599 6.157
201 HB3 GLN 29 HB1 GLN 29 43.735 -1.414 4.592
202 HG2 GLN 29 HG2 GLN 29 46.137 -1.754 4.669
203 HG3 GLN 29 HG1 GLN 29 46.262 -0.776 6.131
204 HE21 GLN 29 HE21 GLN 29 47.175 -3.493 6.107
205 HE22 GLN 29 HE22 GLN 29 46.154 -4.398 7.117
206 H GLU 30 HN GLU 30 43.713 -0.214 2.283
207 HA GLU 30 HA GLU 30 46.174 -1.036 1.095
208 HB2 GLU 30 HB2 GLU 30 43.500 -0.358 -0.147
209 HB3 GLU 30 HB1 GLU 30 44.855 -1.058 -1.036
210 HG2 GLU 30 HG2 GLU 30 43.553 -2.304 1.411
211 HG3 GLU 30 HG1 GLU 30 43.210 -2.773 -0.254
212 H ILE 31 HN ILE 31 44.267 1.948 0.888
213 HA ILE 31 HA ILE 31 45.889 3.181 -1.107
214 HB ILE 31 HB ILE 31 44.090 4.384 1.019
215 HG12 ILE 31 HG12 ILE 31 43.642 4.101 -1.974
216 HG13 ILE 31 HG11 ILE 31 43.080 2.906 -0.808
217 HG21 ILE 31 HG21 ILE 31 45.694 5.606 -1.224
218 HG22 ILE 31 HG22 ILE 31 45.546 6.137 0.449
219 HG23 ILE 31 HG23 ILE 31 44.202 6.370 -0.669
220 HD11 ILE 31 HD11 ILE 31 41.369 4.214 -0.125
221 HD12 ILE 31 HD12 ILE 31 41.676 5.127 -1.602
222 HD13 ILE 31 HD13 ILE 31 42.386 5.657 -0.078
223 H TYR 32 HN TYR 32 45.951 3.184 2.441
224 HA TYR 32 HA TYR 32 48.036 5.079 2.726
225 HB2 TYR 32 HB2 TYR 32 46.678 4.476 4.644
226 HB3 TYR 32 HB1 TYR 32 47.228 2.800 4.552
227 HD1 TYR 32 HD2 TYR 32 48.423 6.310 5.034
228 HD2 TYR 32 HD1 TYR 32 49.232 2.133 5.598
229 HE1 TYR 32 HE2 TYR 32 50.382 6.885 6.441
230 HE2 TYR 32 HE1 TYR 32 51.196 2.702 7.003
231 HH TYR 32 HH TYR 32 51.722 5.805 8.248
232 H LEU 33 HN LEU 33 48.097 1.530 2.497
233 HA LEU 33 HA LEU 33 50.893 1.243 2.765
234 HB2 LEU 33 HB2 LEU 33 49.333 -0.619 3.037
235 HB3 LEU 33 HB1 LEU 33 48.872 -0.509 1.338
236 HG LEU 33 HG LEU 33 51.189 -1.048 0.668
237 HD11 LEU 33 HD11 LEU 33 52.628 -1.969 2.664
238 HD12 LEU 33 HD12 LEU 33 51.639 -0.877 3.630
239 HD13 LEU 33 HD13 LEU 33 52.623 -0.244 2.310
240 HD21 LEU 33 HD21 LEU 33 49.620 -2.919 1.003
241 HD22 LEU 33 HD22 LEU 33 50.048 -2.988 2.711
242 HD23 LEU 33 HD23 LEU 33 51.248 -3.397 1.485
243 H SER 34 HN SER 34 48.805 1.678 -0.067
244 HA SER 34 HA SER 34 50.843 1.401 -2.017
245 HB2 SER 34 HB2 SER 34 48.182 2.831 -2.079
246 HB3 SER 34 HB1 SER 34 49.212 2.622 -3.491
247 HG SER 34 HG SER 34 48.812 0.496 -3.476
248 H GLY 35 HN GLY 35 49.602 4.164 -0.183
249 HA2 GLY 35 HA2 GLY 35 50.990 6.170 -1.615
250 HA3 GLY 35 HA1 GLY 35 50.376 6.319 0.029
251 H LEU 36 HN LEU 36 51.930 4.168 1.189
252 HA LEU 36 HA LEU 36 54.280 5.570 1.843
253 HB2 LEU 36 HB2 LEU 36 53.518 2.668 2.183
254 HB3 LEU 36 HB1 LEU 36 54.999 3.357 2.842
255 HG LEU 36 HG LEU 36 52.220 4.429 3.425
256 HD11 LEU 36 HD11 LEU 36 53.795 2.226 4.615
257 HD12 LEU 36 HD12 LEU 36 52.055 2.512 4.645
258 HD13 LEU 36 HD13 LEU 36 53.109 3.367 5.772
259 HD21 LEU 36 HD21 LEU 36 53.755 5.260 5.477
260 HD22 LEU 36 HD22 LEU 36 53.589 6.199 3.996
261 HD23 LEU 36 HD23 LEU 36 55.002 5.175 4.234
262 H ARG 37 HN ARG 37 53.683 2.917 -0.436
263 HA ARG 37 HA ARG 37 56.401 2.503 -1.128
264 HB2 ARG 37 HB2 ARG 37 53.830 1.961 -2.615
265 HB3 ARG 37 HB1 ARG 37 55.416 1.504 -3.239
266 HG2 ARG 37 HG2 ARG 37 55.844 0.163 -1.221
267 HG3 ARG 37 HG1 ARG 37 54.280 0.640 -0.562
268 HD2 ARG 37 HD2 ARG 37 54.620 -0.817 -3.195
269 HD3 ARG 37 HD1 ARG 37 54.281 -1.624 -1.666
270 HE ARG 37 HE ARG 37 52.353 0.391 -2.021
271 HH11 ARG 37 HH21 ARG 37 53.410 -2.577 -3.447
272 HH12 ARG 37 HH22 ARG 37 51.845 -3.005 -4.056
273 HH21 ARG 37 HH11 ARG 37 50.292 -0.166 -2.822
274 HH22 ARG 37 HH12 ARG 37 50.086 -1.643 -3.702
275 H SER 38 HN SER 38 53.884 4.609 -2.476
276 HA SER 38 HA SER 38 55.489 5.635 -4.619
277 HB2 SER 38 HB2 SER 38 53.665 7.298 -4.826
278 HB3 SER 38 HB1 SER 38 53.059 5.643 -4.791
279 HG SER 38 HG SER 38 52.865 6.045 -2.433
280 H TRP 39 HN TRP 39 54.820 6.583 -1.311
281 HA TRP 39 HA TRP 39 55.764 9.226 -1.363
282 HB2 TRP 39 HB2 TRP 39 55.587 7.161 0.812
283 HB3 TRP 39 HB1 TRP 39 56.188 8.781 1.123
284 HD1 TRP 39 HD1 TRP 39 53.544 8.858 -1.494
285 HE1 TRP 39 HE1 TRP 39 51.322 9.670 -0.494
286 HE3 TRP 39 HE3 TRP 39 54.648 8.568 3.494
287 HZ2 TRP 39 HZ2 TRP 39 50.154 10.133 2.067
288 HZ3 TRP 39 HZ3 TRP 39 52.954 9.202 5.187
289 HH2 TRP 39 HH2 TRP 39 50.709 9.983 4.480
290 H LYS 40 HN LYS 40 57.554 6.171 -1.012
291 HA LYS 40 HA LYS 40 59.948 7.275 -0.065
292 HB2 LYS 40 HB2 LYS 40 59.478 4.919 -1.904
293 HB3 LYS 40 HB1 LYS 40 61.040 5.308 -1.184
294 HG2 LYS 40 HG2 LYS 40 60.062 5.120 1.068
295 HG3 LYS 40 HG1 LYS 40 58.490 4.749 0.361
296 HD2 LYS 40 HD2 LYS 40 59.436 2.735 -0.701
297 HD3 LYS 40 HD1 LYS 40 61.012 3.103 0.003
298 HE2 LYS 40 HE2 LYS 40 60.047 2.931 2.266
299 HE3 LYS 40 HE1 LYS 40 58.469 2.567 1.567
300 HZ1 LYS 40 HZ1 LYS 40 59.926 0.743 0.346
301 HZ2 LYS 40 HZ2 LYS 40 59.206 0.469 1.859
302 HZ3 LYS 40 HZ3 LYS 40 60.848 0.896 1.761
303 H ARG 41 HN ARG 41 58.709 7.028 -3.438
304 HA ARG 41 HA ARG 41 61.071 7.919 -4.678
305 HB2 ARG 41 HB2 ARG 41 59.134 6.952 -5.886
306 HB3 ARG 41 HB1 ARG 41 58.212 8.414 -5.544
307 HG2 ARG 41 HG2 ARG 41 59.885 9.760 -6.773
308 HG3 ARG 41 HG1 ARG 41 60.802 8.294 -7.120
309 HD2 ARG 41 HD2 ARG 41 57.917 8.714 -7.937
310 HD3 ARG 41 HD1 ARG 41 59.291 9.019 -8.996
311 HE ARG 41 HE ARG 41 59.529 6.404 -7.989
312 HH11 ARG 41 HH21 ARG 41 57.483 8.321 -10.019
313 HH12 ARG 41 HH22 ARG 41 56.984 6.989 -11.008
314 HH21 ARG 41 HH11 ARG 41 58.881 4.655 -9.282
315 HH22 ARG 41 HH12 ARG 41 57.776 4.912 -10.590
316 H HIS 42 HN HIS 42 58.322 9.618 -3.415
317 HA HIS 42 HA HIS 42 59.192 12.287 -4.068
318 HB2 HIS 42 HB2 HIS 42 57.064 11.281 -2.167
319 HB3 HIS 42 HB1 HIS 42 57.332 12.982 -2.544
320 HD2 HIS 42 HD2 HIS 42 55.417 9.995 -3.994
321 HE1 HIS 42 HE1 HIS 42 55.610 12.872 -7.077
322 HE2 HIS 42 HE2 HIS 42 54.533 10.691 -6.349
323 H LEU 43 HN LEU 43 59.429 10.201 -1.287
324 HA LEU 43 HA LEU 43 60.609 12.222 0.424
325 HB2 LEU 43 HB2 LEU 43 59.704 9.419 0.836
326 HB3 LEU 43 HB1 LEU 43 60.925 10.073 1.921
327 HG LEU 43 HG LEU 43 59.475 11.972 2.465
328 HD11 LEU 43 HD11 LEU 43 57.443 10.663 0.638
329 HD12 LEU 43 HD12 LEU 43 58.284 12.170 0.303
330 HD13 LEU 43 HD13 LEU 43 57.157 12.069 1.650
331 HD21 LEU 43 HD21 LEU 43 59.247 9.938 3.807
332 HD22 LEU 43 HD22 LEU 43 58.066 9.294 2.665
333 HD23 LEU 43 HD23 LEU 43 57.676 10.719 3.630
334 H SER 44 HN SER 44 61.796 10.320 -2.019
335 HA SER 44 HA SER 44 64.106 9.163 -1.079
336 HB2 SER 44 HB2 SER 44 63.757 10.616 -3.706
337 HB3 SER 44 HB1 SER 44 65.015 9.438 -3.343
338 HG SER 44 HG SER 44 62.240 9.084 -3.647
339 H ARG 45 HN ARG 45 63.717 12.624 -2.031
340 HA ARG 45 HA ARG 45 66.443 13.267 -1.752
341 HB2 ARG 45 HB2 ARG 45 64.755 14.766 -2.787
342 HB3 ARG 45 HB1 ARG 45 64.068 15.062 -1.190
343 HG2 ARG 45 HG2 ARG 45 66.217 15.987 -0.423
344 HG3 ARG 45 HG1 ARG 45 66.928 15.666 -2.005
345 HD2 ARG 45 HD2 ARG 45 66.257 18.002 -1.907
346 HD3 ARG 45 HD1 ARG 45 65.204 17.149 -3.035
347 HE ARG 45 HE ARG 45 64.045 17.130 -0.444
348 HH11 ARG 45 HH21 ARG 45 64.787 19.205 -3.111
349 HH12 ARG 45 HH22 ARG 45 63.474 20.295 -2.808
350 HH21 ARG 45 HH11 ARG 45 62.321 18.556 -0.039
351 HH22 ARG 45 HH12 ARG 45 62.080 19.928 -1.068
352 H PHE 46 HN PHE 46 63.794 13.514 0.617
353 HA PHE 46 HA PHE 46 65.346 14.437 2.781
354 HB2 PHE 46 HB2 PHE 46 62.893 14.555 2.752
355 HB3 PHE 46 HB1 PHE 46 62.803 12.794 2.813
356 HD1 PHE 46 HD2 PHE 46 64.195 15.740 4.654
357 HD2 PHE 46 HD1 PHE 46 62.822 11.676 4.880
358 HE1 PHE 46 HE2 PHE 46 64.383 15.813 7.125
359 HE2 PHE 46 HE1 PHE 46 63.012 11.750 7.352
360 HZ PHE 46 HZ PHE 46 63.792 13.818 8.474
361 H TRP 47 HN TRP 47 64.407 11.189 1.771
362 HA TRP 47 HA TRP 47 65.532 9.779 3.945
363 HB2 TRP 47 HB2 TRP 47 63.933 8.672 2.551
364 HB3 TRP 47 HB1 TRP 47 64.913 8.945 1.110
365 HD1 TRP 47 HD1 TRP 47 64.758 6.828 4.284
366 HE1 TRP 47 HE1 TRP 47 66.368 4.829 4.029
367 HE3 TRP 47 HE3 TRP 47 67.062 8.101 -0.092
368 HZ2 TRP 47 HZ2 TRP 47 68.367 3.894 2.209
369 HZ3 TRP 47 HZ3 TRP 47 68.812 6.640 -1.063
370 HH2 TRP 47 HH2 TRP 47 69.467 4.541 0.081
371 H ASN 48 HN ASN 48 66.862 10.704 0.792
372 HA ASN 48 HA ASN 48 69.295 9.285 1.006
373 HB2 ASN 48 HB2 ASN 48 68.488 10.204 -1.119
374 HB3 ASN 48 HB1 ASN 48 68.684 11.841 -0.495
375 HD21 ASN 48 HD21 ASN 48 70.317 12.342 -2.146
376 HD22 ASN 48 HD22 ASN 48 71.881 11.690 -2.048
377 H ASP 49 HN ASP 49 68.354 12.557 1.989
378 HA ASP 49 HA ASP 49 71.026 13.082 3.044
379 HB2 ASP 49 HB2 ASP 49 69.798 14.875 1.871
380 HB3 ASP 49 HB1 ASP 49 68.530 14.794 3.091
381 H PHE 50 HN PHE 50 71.505 12.203 4.952
382 HA PHE 50 HA PHE 50 71.223 11.313 7.071
383 HB2 PHE 50 HB2 PHE 50 71.545 13.686 7.546
384 HB3 PHE 50 HB1 PHE 50 69.819 13.982 7.335
385 HD1 PHE 50 HD1 PHE 50 72.229 11.936 9.336
386 HD2 PHE 50 HD2 PHE 50 68.351 13.772 9.157
387 HE1 PHE 50 HE1 PHE 50 71.836 11.333 11.709
388 HE2 PHE 50 HE2 PHE 50 67.956 13.170 11.531
389 HZ PHE 50 HZ PHE 50 69.698 11.950 12.806
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 33.944 9.670 40.723
2 H2 MET 1 HT2 MET 1 33.928 11.006 39.679
3 H3 MET 1 HT3 MET 1 35.387 10.481 40.367
4 HA MET 1 HA MET 1 34.253 9.722 37.944
5 HB2 MET 1 HB2 MET 1 36.652 8.763 39.525
6 HB3 MET 1 HB1 MET 1 36.340 8.326 37.843
7 HG2 MET 1 HG2 MET 1 36.336 10.707 37.214
8 HG3 MET 1 HG1 MET 1 36.634 11.159 38.888
9 HE1 MET 1 HE1 MET 1 38.756 12.472 38.586
10 HE2 MET 1 HE2 MET 1 38.421 12.358 36.862
11 HE3 MET 1 HE3 MET 1 40.045 12.038 37.458
12 H ALA 2 HN ALA 2 33.340 8.607 40.858
13 HA ALA 2 HA ALA 2 33.341 5.793 40.553
14 HB1 ALA 2 HB1 ALA 2 31.084 6.908 42.045
15 HB2 ALA 2 HB2 ALA 2 32.642 7.572 42.536
16 HB3 ALA 2 HB3 ALA 2 32.371 5.830 42.587
17 H GLU 3 HN GLU 3 31.082 8.340 39.584
18 HA GLU 3 HA GLU 3 28.946 6.673 38.774
19 HB2 GLU 3 HB2 GLU 3 29.801 9.398 37.749
20 HB3 GLU 3 HB1 GLU 3 28.263 8.624 37.381
21 HG2 GLU 3 HG2 GLU 3 29.245 9.255 40.178
22 HG3 GLU 3 HG1 GLU 3 28.093 10.238 39.273
23 H ALA 4 HN ALA 4 28.568 5.525 36.940
24 HA ALA 4 HA ALA 4 30.741 4.767 35.318
25 HB1 ALA 4 HB1 ALA 4 27.868 4.524 34.448
26 HB2 ALA 4 HB2 ALA 4 28.521 3.518 35.742
27 HB3 ALA 4 HB3 ALA 4 29.211 3.431 34.124
28 H HIS 5 HN HIS 5 28.112 7.107 34.805
29 HA HIS 5 HA HIS 5 29.511 8.032 32.358
30 HB2 HIS 5 HB2 HIS 5 26.564 8.162 33.028
31 HB3 HIS 5 HB1 HIS 5 27.311 8.876 31.598
32 HD2 HIS 5 HD2 HIS 5 25.905 5.492 32.701
33 HE1 HIS 5 HE1 HIS 5 28.255 4.723 29.279
34 HE2 HIS 5 HE2 HIS 5 26.531 3.744 30.866
35 H GLN 6 HN GLN 6 30.160 10.087 32.221
36 HA GLN 6 HA GLN 6 29.677 11.835 34.532
37 HB2 GLN 6 HB2 GLN 6 32.011 11.451 33.790
38 HB3 GLN 6 HB1 GLN 6 31.614 12.148 32.220
39 HG2 GLN 6 HG2 GLN 6 32.674 13.846 33.604
40 HG3 GLN 6 HG1 GLN 6 30.984 14.276 33.365
41 HE21 GLN 6 HE21 GLN 6 30.517 15.341 35.325
42 HE22 GLN 6 HE22 GLN 6 30.705 14.628 36.853
43 H ALA 7 HN ALA 7 28.457 13.638 34.438
44 HA ALA 7 HA ALA 7 26.643 14.070 32.328
45 HB1 ALA 7 HB1 ALA 7 27.277 16.402 34.028
46 HB2 ALA 7 HB2 ALA 7 26.811 14.937 34.897
47 HB3 ALA 7 HB3 ALA 7 25.725 15.634 33.697
48 H VAL 8 HN VAL 8 29.747 15.587 33.090
49 HA VAL 8 HA VAL 8 29.607 17.017 30.495
50 HB VAL 8 HB VAL 8 30.818 17.874 33.118
51 HG11 VAL 8 HG11 VAL 8 32.518 18.596 31.715
52 HG12 VAL 8 HG12 VAL 8 31.390 19.942 31.540
53 HG13 VAL 8 HG13 VAL 8 31.457 18.682 30.306
54 HG21 VAL 8 HG21 VAL 8 29.240 19.579 33.059
55 HG22 VAL 8 HG22 VAL 8 28.339 18.266 32.301
56 HG23 VAL 8 HG23 VAL 8 29.088 19.510 31.304
57 H GLY 9 HN GLY 9 31.146 16.641 29.079
58 HA2 GLY 9 HA2 GLY 9 33.261 14.749 29.747
59 HA3 GLY 9 HA1 GLY 9 32.816 15.298 28.133
60 H PHE 10 HN PHE 10 35.352 15.290 28.315
61 HA PHE 10 HA PHE 10 36.163 18.071 28.925
62 HB2 PHE 10 HB2 PHE 10 37.753 15.531 29.372
63 HB3 PHE 10 HB1 PHE 10 38.403 17.167 29.522
64 HD1 PHE 10 HD1 PHE 10 37.566 18.693 31.302
65 HD2 PHE 10 HD2 PHE 10 36.308 14.593 31.048
66 HE1 PHE 10 HE1 PHE 10 36.693 18.815 33.624
67 HE2 PHE 10 HE2 PHE 10 35.440 14.714 33.367
68 HZ PHE 10 HZ PHE 10 35.629 16.823 34.654
69 H ARG 11 HN ARG 11 37.676 18.978 27.490
70 HA ARG 11 HA ARG 11 38.441 19.378 25.344
71 HB2 ARG 11 HB2 ARG 11 40.140 17.795 26.339
72 HB3 ARG 11 HB1 ARG 11 39.295 16.484 25.526
73 HG2 ARG 11 HG2 ARG 11 40.655 16.935 23.763
74 HG3 ARG 11 HG1 ARG 11 39.595 18.317 23.488
75 HD2 ARG 11 HD2 ARG 11 41.712 19.312 23.561
76 HD3 ARG 11 HD1 ARG 11 41.132 19.535 25.210
77 HE ARG 11 HE ARG 11 42.483 17.108 25.197
78 HH11 ARG 11 HH21 ARG 11 43.141 20.429 24.476
79 HH12 ARG 11 HH22 ARG 11 44.804 20.346 24.952
80 HH21 ARG 11 HH11 ARG 11 44.671 17.010 25.859
81 HH22 ARG 11 HH12 ARG 11 45.667 18.422 25.727
82 HA PRO 12 HA PRO 12 34.713 17.236 23.520
83 HB2 PRO 12 HB2 PRO 12 34.242 19.949 22.442
84 HB3 PRO 12 HB1 PRO 12 33.143 18.885 23.341
85 HG2 PRO 12 HG2 PRO 12 34.229 21.108 24.413
86 HG3 PRO 12 HG1 PRO 12 33.831 19.671 25.369
87 HD2 PRO 12 HD2 PRO 12 36.505 20.632 24.434
88 HD3 PRO 12 HD1 PRO 12 36.070 19.780 25.931
89 H SER 13 HN SER 13 34.566 16.490 21.413
90 HA SER 13 HA SER 13 36.828 16.964 19.689
91 HB2 SER 13 HB2 SER 13 36.029 15.194 18.391
92 HB3 SER 13 HB1 SER 13 35.471 14.766 20.005
93 HG SER 13 HG SER 13 33.532 14.860 19.223
94 H LEU 14 HN LEU 14 36.586 17.519 17.401
95 HA LEU 14 HA LEU 14 34.607 19.686 17.043
96 HB2 LEU 14 HB2 LEU 14 37.230 19.210 15.601
97 HB3 LEU 14 HB1 LEU 14 36.145 20.575 15.344
98 HG LEU 14 HG LEU 14 37.487 19.903 17.975
99 HD11 LEU 14 HD11 LEU 14 38.473 22.319 17.201
100 HD12 LEU 14 HD12 LEU 14 38.288 21.526 15.635
101 HD13 LEU 14 HD13 LEU 14 39.285 20.784 16.885
102 HD21 LEU 14 HD21 LEU 14 35.585 21.114 18.583
103 HD22 LEU 14 HD22 LEU 14 35.552 22.017 17.068
104 HD23 LEU 14 HD23 LEU 14 36.744 22.414 18.308
105 H THR 15 HN THR 15 33.115 19.522 15.490
106 HA THR 15 HA THR 15 32.763 17.083 14.080
107 HB THR 15 HB THR 15 30.945 18.345 12.912
108 HG1 THR 15 HG1 THR 15 30.924 20.487 14.449
109 HG21 THR 15 HG21 THR 15 29.582 18.561 14.896
110 HG22 THR 15 HG22 THR 15 31.009 18.762 15.910
111 HG23 THR 15 HG23 THR 15 30.684 17.209 15.138
112 H SER 16 HN SER 16 34.196 20.173 13.271
113 HA SER 16 HA SER 16 34.301 19.895 10.476
114 HB2 SER 16 HB2 SER 16 34.714 22.018 11.623
115 HB3 SER 16 HB1 SER 16 36.200 21.366 12.311
116 HG SER 16 HG SER 16 37.006 22.164 10.523
117 H ASP 17 HN ASP 17 36.649 18.924 12.979
118 HA ASP 17 HA ASP 17 38.323 17.683 10.908
119 HB2 ASP 17 HB2 ASP 17 39.311 19.098 12.763
120 HB3 ASP 17 HB1 ASP 17 38.858 17.815 13.877
121 H GLY 18 HN GLY 18 37.677 15.697 10.314
122 HA2 GLY 18 HA2 GLY 18 37.668 13.546 12.181
123 HA3 GLY 18 HA1 GLY 18 36.026 13.956 11.700
124 H ALA 19 HN ALA 19 36.810 11.502 11.086
125 HA ALA 19 HA ALA 19 38.159 11.173 8.624
126 HB1 ALA 19 HB1 ALA 19 37.668 8.943 8.843
127 HB2 ALA 19 HB2 ALA 19 36.036 9.250 9.446
128 HB3 ALA 19 HB3 ALA 19 37.426 9.459 10.514
129 H GLU 20 HN GLU 20 37.430 10.926 6.564
130 HA GLU 20 HA GLU 20 35.169 12.426 5.743
131 HB2 GLU 20 HB2 GLU 20 36.915 10.411 4.317
132 HB3 GLU 20 HB1 GLU 20 35.688 11.395 3.510
133 HG2 GLU 20 HG2 GLU 20 36.817 13.439 4.224
134 HG3 GLU 20 HG1 GLU 20 38.000 12.498 5.135
135 H VAL 21 HN VAL 21 35.813 8.967 6.097
136 HA VAL 21 HA VAL 21 32.907 8.493 6.016
137 HB VAL 21 HB VAL 21 33.625 7.877 3.824
138 HG11 VAL 21 HG11 VAL 21 35.847 6.372 5.229
139 HG12 VAL 21 HG12 VAL 21 36.025 7.760 4.153
140 HG13 VAL 21 HG13 VAL 21 35.476 6.212 3.511
141 HG21 VAL 21 HG21 VAL 21 33.617 5.313 5.422
142 HG22 VAL 21 HG22 VAL 21 33.036 5.558 3.778
143 HG23 VAL 21 HG23 VAL 21 32.163 6.266 5.139
144 H GLU 22 HN GLU 22 32.150 7.033 7.435
145 HA GLU 22 HA GLU 22 33.772 6.273 9.647
146 HB2 GLU 22 HB2 GLU 22 30.966 5.508 8.847
147 HB3 GLU 22 HB1 GLU 22 31.721 5.026 10.367
148 HG2 GLU 22 HG2 GLU 22 32.064 7.366 10.977
149 HG3 GLU 22 HG1 GLU 22 31.390 7.887 9.433
150 H LEU 23 HN LEU 23 32.440 4.451 6.888
151 HA LEU 23 HA LEU 23 33.985 2.090 7.804
152 HB2 LEU 23 HB2 LEU 23 31.541 2.216 6.031
153 HB3 LEU 23 HB1 LEU 23 32.376 0.744 6.521
154 HG LEU 23 HG LEU 23 31.065 2.735 8.400
155 HD11 LEU 23 HD11 LEU 23 29.980 0.072 8.486
156 HD12 LEU 23 HD12 LEU 23 29.943 0.664 6.826
157 HD13 LEU 23 HD13 LEU 23 29.161 1.588 8.106
158 HD21 LEU 23 HD21 LEU 23 32.696 1.773 9.736
159 HD22 LEU 23 HD22 LEU 23 32.740 0.282 8.800
160 HD23 LEU 23 HD23 LEU 23 31.412 0.580 9.921
161 H SER 24 HN SER 24 35.605 1.369 6.598
162 HA SER 24 HA SER 24 35.869 0.902 3.970
163 HB2 SER 24 HB2 SER 24 37.180 3.136 3.306
164 HB3 SER 24 HB1 SER 24 35.452 2.959 3.040
165 HG SER 24 HG SER 24 36.420 3.896 5.506
166 H ALA 25 HN ALA 25 37.044 0.756 6.821
167 HA ALA 25 HA ALA 25 39.654 1.527 6.951
168 HB1 ALA 25 HB1 ALA 25 39.555 -1.117 7.995
169 HB2 ALA 25 HB2 ALA 25 38.009 -0.328 8.323
170 HB3 ALA 25 HB3 ALA 25 39.510 0.414 8.869
171 HA PRO 26 HA PRO 26 41.063 -2.605 4.743
172 HB2 PRO 26 HB2 PRO 26 38.787 -2.864 2.835
173 HB3 PRO 26 HB1 PRO 26 39.704 -4.124 3.681
174 HG2 PRO 26 HG2 PRO 26 37.227 -3.486 4.418
175 HG3 PRO 26 HG1 PRO 26 38.468 -3.929 5.608
176 HD2 PRO 26 HD2 PRO 26 37.375 -1.219 4.948
177 HD3 PRO 26 HD1 PRO 26 37.912 -1.872 6.511
178 H VAL 27 HN VAL 27 38.998 -0.326 2.957
179 HA VAL 27 HA VAL 27 40.643 -0.115 0.639
180 HB VAL 27 HB VAL 27 38.539 1.696 1.839
181 HG11 VAL 27 HG11 VAL 27 39.618 3.224 0.495
182 HG12 VAL 27 HG12 VAL 27 38.581 2.468 -0.713
183 HG13 VAL 27 HG13 VAL 27 40.273 1.986 -0.577
184 HG21 VAL 27 HG21 VAL 27 37.102 0.743 0.126
185 HG22 VAL 27 HG22 VAL 27 37.842 -0.573 1.036
186 HG23 VAL 27 HG23 VAL 27 38.456 -0.155 -0.563
187 H LEU 28 HN LEU 28 40.306 1.746 3.613
188 HA LEU 28 HA LEU 28 42.147 3.802 3.003
189 HB2 LEU 28 HB2 LEU 28 41.204 2.676 5.638
190 HB3 LEU 28 HB1 LEU 28 42.260 4.077 5.522
191 HG LEU 28 HG LEU 28 39.566 3.869 4.145
192 HD11 LEU 28 HD11 LEU 28 38.800 4.053 6.289
193 HD12 LEU 28 HD12 LEU 28 39.229 5.749 6.070
194 HD13 LEU 28 HD13 LEU 28 40.340 4.658 6.894
195 HD21 LEU 28 HD21 LEU 28 40.024 6.501 4.377
196 HD22 LEU 28 HD22 LEU 28 40.617 5.576 2.996
197 HD23 LEU 28 HD23 LEU 28 41.703 5.960 4.332
198 H GLN 29 HN GLN 29 42.551 0.643 4.552
199 HA GLN 29 HA GLN 29 45.267 0.992 5.271
200 HB2 GLN 29 HB2 GLN 29 43.830 -0.790 6.215
201 HB3 GLN 29 HB1 GLN 29 43.805 -1.589 4.639
202 HG2 GLN 29 HG2 GLN 29 46.274 -1.805 4.724
203 HG3 GLN 29 HG1 GLN 29 46.275 -1.035 6.307
204 HE21 GLN 29 HE21 GLN 29 46.312 -2.510 8.001
205 HE22 GLN 29 HE22 GLN 29 45.673 -4.087 7.934
206 H GLU 30 HN GLU 30 43.707 -0.279 2.315
207 HA GLU 30 HA GLU 30 46.151 -1.029 1.052
208 HB2 GLU 30 HB2 GLU 30 43.413 -0.417 -0.085
209 HB3 GLU 30 HB1 GLU 30 44.770 -0.987 -1.058
210 HG2 GLU 30 HG2 GLU 30 44.949 -3.010 0.274
211 HG3 GLU 30 HG1 GLU 30 43.699 -2.442 1.374
212 H ILE 31 HN ILE 31 44.207 1.963 1.000
213 HA ILE 31 HA ILE 31 45.768 3.289 -0.966
214 HB ILE 31 HB ILE 31 44.076 4.335 1.312
215 HG12 ILE 31 HG12 ILE 31 43.559 4.331 -1.676
216 HG13 ILE 31 HG11 ILE 31 42.971 3.070 -0.592
217 HG21 ILE 31 HG21 ILE 31 44.172 6.487 -0.093
218 HG22 ILE 31 HG22 ILE 31 45.579 5.772 -0.879
219 HG23 ILE 31 HG23 ILE 31 45.603 6.093 0.857
220 HD11 ILE 31 HD11 ILE 31 41.267 4.841 -0.994
221 HD12 ILE 31 HD12 ILE 31 42.368 6.023 -0.287
222 HD13 ILE 31 HD13 ILE 31 41.720 4.723 0.707
223 H TYR 32 HN TYR 32 45.951 3.173 2.598
224 HA TYR 32 HA TYR 32 48.087 4.982 2.908
225 HB2 TYR 32 HB2 TYR 32 46.733 4.308 4.800
226 HB3 TYR 32 HB1 TYR 32 47.238 2.633 4.614
227 HD1 TYR 32 HD2 TYR 32 48.418 6.055 5.479
228 HD2 TYR 32 HD1 TYR 32 49.338 1.860 5.438
229 HE1 TYR 32 HE2 TYR 32 50.412 6.476 6.895
230 HE2 TYR 32 HE1 TYR 32 51.328 2.281 6.855
231 HH TYR 32 HH TYR 32 52.259 3.864 8.295
232 H LEU 33 HN LEU 33 48.068 1.439 2.558
233 HA LEU 33 HA LEU 33 50.864 1.070 2.761
234 HB2 LEU 33 HB2 LEU 33 49.248 -0.779 2.948
235 HB3 LEU 33 HB1 LEU 33 48.780 -0.553 1.265
236 HG LEU 33 HG LEU 33 51.064 -1.140 0.539
237 HD11 LEU 33 HD11 LEU 33 51.536 -1.041 3.483
238 HD12 LEU 33 HD12 LEU 33 52.588 -0.538 2.161
239 HD13 LEU 33 HD13 LEU 33 52.423 -2.245 2.554
240 HD21 LEU 33 HD21 LEU 33 50.732 -3.412 0.725
241 HD22 LEU 33 HD22 LEU 33 49.170 -2.886 1.355
242 HD23 LEU 33 HD23 LEU 33 50.466 -3.334 2.467
243 H SER 34 HN SER 34 48.734 1.602 -0.012
244 HA SER 34 HA SER 34 50.711 1.398 -2.033
245 HB2 SER 34 HB2 SER 34 48.295 1.240 -2.474
246 HB3 SER 34 HB1 SER 34 48.114 2.935 -2.027
247 HG SER 34 HG SER 34 49.486 3.476 -3.734
248 H GLY 35 HN GLY 35 49.376 4.164 -0.224
249 HA2 GLY 35 HA2 GLY 35 50.733 6.185 -1.641
250 HA3 GLY 35 HA1 GLY 35 50.084 6.327 -0.005
251 H LEU 36 HN LEU 36 51.702 4.147 1.094
252 HA LEU 36 HA LEU 36 53.993 5.612 1.841
253 HB2 LEU 36 HB2 LEU 36 53.031 3.815 3.227
254 HB3 LEU 36 HB1 LEU 36 53.509 2.635 2.011
255 HG LEU 36 HG LEU 36 55.880 3.216 2.358
256 HD11 LEU 36 HD11 LEU 36 55.998 5.458 3.014
257 HD12 LEU 36 HD12 LEU 36 56.232 4.639 4.559
258 HD13 LEU 36 HD13 LEU 36 54.650 5.298 4.141
259 HD21 LEU 36 HD21 LEU 36 56.082 2.304 4.640
260 HD22 LEU 36 HD22 LEU 36 54.823 1.460 3.740
261 HD23 LEU 36 HD23 LEU 36 54.384 2.676 4.937
262 H ARG 37 HN ARG 37 53.483 3.004 -0.519
263 HA ARG 37 HA ARG 37 56.199 2.663 -1.215
264 HB2 ARG 37 HB2 ARG 37 53.644 2.135 -2.738
265 HB3 ARG 37 HB1 ARG 37 55.238 1.717 -3.365
266 HG2 ARG 37 HG2 ARG 37 55.661 0.287 -1.409
267 HG3 ARG 37 HG1 ARG 37 54.092 0.736 -0.730
268 HD2 ARG 37 HD2 ARG 37 52.953 -0.255 -2.660
269 HD3 ARG 37 HD1 ARG 37 54.506 -0.676 -3.385
270 HE ARG 37 HE ARG 37 53.224 -1.986 -1.110
271 HH11 ARG 37 HH21 ARG 37 56.071 -1.498 -3.042
272 HH12 ARG 37 HH22 ARG 37 56.808 -2.989 -2.562
273 HH21 ARG 37 HH11 ARG 37 54.167 -3.955 -0.535
274 HH22 ARG 37 HH12 ARG 37 55.716 -4.395 -1.178
275 H SER 38 HN SER 38 53.689 4.824 -2.487
276 HA SER 38 HA SER 38 55.301 5.891 -4.612
277 HB2 SER 38 HB2 SER 38 53.519 7.605 -4.748
278 HB3 SER 38 HB1 SER 38 52.870 5.965 -4.742
279 HG SER 38 HG SER 38 51.747 6.676 -3.113
280 H TRP 39 HN TRP 39 54.710 6.714 -1.254
281 HA TRP 39 HA TRP 39 55.738 9.328 -1.235
282 HB2 TRP 39 HB2 TRP 39 54.813 7.408 0.679
283 HB3 TRP 39 HB1 TRP 39 56.283 8.159 1.273
284 HD1 TRP 39 HD1 TRP 39 55.777 10.256 2.627
285 HE1 TRP 39 HE1 TRP 39 54.010 12.130 2.542
286 HE3 TRP 39 HE3 TRP 39 53.062 8.701 -1.394
287 HZ2 TRP 39 HZ2 TRP 39 51.738 12.869 0.968
288 HZ3 TRP 39 HZ3 TRP 39 51.104 10.006 -2.175
289 HH2 TRP 39 HH2 TRP 39 50.438 12.089 -0.999
290 H LYS 40 HN LYS 40 57.399 6.200 -0.945
291 HA LYS 40 HA LYS 40 59.845 7.098 0.040
292 HB2 LYS 40 HB2 LYS 40 59.233 4.715 -0.282
293 HB3 LYS 40 HB1 LYS 40 59.408 4.935 -2.026
294 HG2 LYS 40 HG2 LYS 40 61.762 5.583 -1.728
295 HG3 LYS 40 HG1 LYS 40 61.597 5.423 0.021
296 HD2 LYS 40 HD2 LYS 40 61.076 3.029 -0.252
297 HD3 LYS 40 HD1 LYS 40 61.230 3.194 -1.997
298 HE2 LYS 40 HE2 LYS 40 63.318 2.306 -1.066
299 HE3 LYS 40 HE1 LYS 40 63.588 3.926 -1.703
300 HZ1 LYS 40 HZ1 LYS 40 62.759 3.956 1.033
301 HZ2 LYS 40 HZ2 LYS 40 64.107 4.683 0.304
302 HZ3 LYS 40 HZ3 LYS 40 64.186 3.065 0.814
303 H ARG 41 HN ARG 41 58.679 7.006 -3.368
304 HA ARG 41 HA ARG 41 61.143 7.803 -4.473
305 HB2 ARG 41 HB2 ARG 41 59.226 6.924 -5.787
306 HB3 ARG 41 HB1 ARG 41 58.366 8.437 -5.500
307 HG2 ARG 41 HG2 ARG 41 60.185 9.687 -6.604
308 HG3 ARG 41 HG1 ARG 41 61.050 8.181 -6.888
309 HD2 ARG 41 HD2 ARG 41 59.869 8.780 -8.912
310 HD3 ARG 41 HD1 ARG 41 59.089 7.366 -8.210
311 HE ARG 41 HE ARG 41 57.815 9.690 -7.238
312 HH11 ARG 41 HH21 ARG 41 58.285 7.809 -10.105
313 HH12 ARG 41 HH22 ARG 41 56.811 8.322 -10.853
314 HH21 ARG 41 HH11 ARG 41 55.886 10.374 -8.200
315 HH22 ARG 41 HH12 ARG 41 55.433 9.771 -9.760
316 H HIS 42 HN HIS 42 58.387 9.555 -3.388
317 HA HIS 42 HA HIS 42 59.275 12.210 -3.959
318 HB2 HIS 42 HB2 HIS 42 57.180 11.110 -2.079
319 HB3 HIS 42 HB1 HIS 42 57.444 12.837 -2.328
320 HD2 HIS 42 HD2 HIS 42 57.974 11.649 -5.770
321 HE1 HIS 42 HE1 HIS 42 53.772 11.861 -5.459
322 HE2 HIS 42 HE2 HIS 42 55.721 11.757 -7.082
323 H LEU 43 HN LEU 43 59.622 10.068 -1.226
324 HA LEU 43 HA LEU 43 60.794 12.090 0.488
325 HB2 LEU 43 HB2 LEU 43 60.413 9.135 0.879
326 HB3 LEU 43 HB1 LEU 43 61.217 10.164 2.046
327 HG LEU 43 HG LEU 43 58.394 10.613 1.028
328 HD11 LEU 43 HD11 LEU 43 58.296 8.631 2.303
329 HD12 LEU 43 HD12 LEU 43 57.911 9.895 3.471
330 HD13 LEU 43 HD13 LEU 43 59.527 9.195 3.429
331 HD21 LEU 43 HD21 LEU 43 58.619 11.875 3.444
332 HD22 LEU 43 HD22 LEU 43 58.841 12.683 1.895
333 HD23 LEU 43 HD23 LEU 43 60.241 12.112 2.801
334 H SER 44 HN SER 44 61.931 10.355 -2.089
335 HA SER 44 HA SER 44 64.323 9.246 -1.335
336 HB2 SER 44 HB2 SER 44 65.099 9.764 -3.634
337 HB3 SER 44 HB1 SER 44 63.474 9.088 -3.600
338 HG SER 44 HG SER 44 64.233 11.351 -4.672
339 H ARG 45 HN ARG 45 63.794 12.743 -2.101
340 HA ARG 45 HA ARG 45 66.515 13.434 -1.895
341 HB2 ARG 45 HB2 ARG 45 64.792 14.914 -2.860
342 HB3 ARG 45 HB1 ARG 45 64.104 15.155 -1.257
343 HG2 ARG 45 HG2 ARG 45 66.245 16.139 -0.483
344 HG3 ARG 45 HG1 ARG 45 66.932 15.898 -2.092
345 HD2 ARG 45 HD2 ARG 45 65.095 17.349 -3.019
346 HD3 ARG 45 HD1 ARG 45 64.585 17.682 -1.368
347 HE ARG 45 HE ARG 45 67.307 18.311 -1.523
348 HH11 ARG 45 HH21 ARG 45 64.302 19.277 -2.944
349 HH12 ARG 45 HH22 ARG 45 64.778 20.926 -3.180
350 HH21 ARG 45 HH11 ARG 45 67.943 20.480 -1.813
351 HH22 ARG 45 HH12 ARG 45 66.849 21.609 -2.545
352 H PHE 46 HN PHE 46 63.961 13.624 0.585
353 HA PHE 46 HA PHE 46 65.653 14.505 2.683
354 HB2 PHE 46 HB2 PHE 46 62.985 13.075 2.712
355 HB3 PHE 46 HB1 PHE 46 63.772 13.727 4.154
356 HD1 PHE 46 HD2 PHE 46 64.325 16.210 4.238
357 HD2 PHE 46 HD1 PHE 46 61.815 14.484 1.208
358 HE1 PHE 46 HE2 PHE 46 63.439 18.463 3.691
359 HE2 PHE 46 HE1 PHE 46 60.932 16.735 0.659
360 HZ PHE 46 HZ PHE 46 61.743 18.723 1.901
361 H TRP 47 HN TRP 47 64.609 11.298 1.615
362 HA TRP 47 HA TRP 47 65.674 9.803 3.755
363 HB2 TRP 47 HB2 TRP 47 64.176 8.667 2.299
364 HB3 TRP 47 HB1 TRP 47 65.125 9.083 0.873
365 HD1 TRP 47 HD1 TRP 47 66.782 7.289 0.085
366 HE1 TRP 47 HE1 TRP 47 67.870 5.199 1.129
367 HE3 TRP 47 HE3 TRP 47 65.031 7.664 4.879
368 HZ2 TRP 47 HZ2 TRP 47 67.993 3.868 3.642
369 HZ3 TRP 47 HZ3 TRP 47 65.660 5.967 6.574
370 HH2 TRP 47 HH2 TRP 47 67.138 4.071 5.961
371 H ASN 48 HN ASN 48 67.088 10.772 0.654
372 HA ASN 48 HA ASN 48 69.532 9.400 0.954
373 HB2 ASN 48 HB2 ASN 48 68.682 11.810 -0.625
374 HB3 ASN 48 HB1 ASN 48 70.351 11.250 -0.643
375 HD21 ASN 48 HD21 ASN 48 69.508 8.337 -0.426
376 HD22 ASN 48 HD22 ASN 48 68.896 7.952 -1.961
377 H ASP 49 HN ASP 49 68.544 12.668 1.873
378 HA ASP 49 HA ASP 49 71.123 13.486 2.791
379 HB2 ASP 49 HB2 ASP 49 68.326 14.555 3.195
380 HB3 ASP 49 HB1 ASP 49 69.757 15.349 3.851
381 H PHE 50 HN PHE 50 68.625 11.561 4.083
382 HA PHE 50 HA PHE 50 68.272 10.540 6.091
383 HB2 PHE 50 HB2 PHE 50 71.219 11.137 6.433
384 HB3 PHE 50 HB1 PHE 50 70.276 10.038 7.444
385 HD1 PHE 50 HD2 PHE 50 69.038 8.120 6.315
386 HD2 PHE 50 HD1 PHE 50 72.139 10.377 4.379
387 HE1 PHE 50 HE2 PHE 50 69.355 6.283 4.686
388 HE2 PHE 50 HE1 PHE 50 72.460 8.534 2.747
389 HZ PHE 50 HZ PHE 50 71.066 6.485 2.904
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 56.279 -28.140 21.696
2 H2 MET 1 HT2 MET 1 57.690 -27.193 21.621
3 H3 MET 1 HT3 MET 1 56.524 -27.084 20.390
4 HA MET 1 HA MET 1 56.394 -26.056 23.151
5 HB2 MET 1 HB2 MET 1 55.845 -24.926 20.386
6 HB3 MET 1 HB1 MET 1 55.577 -24.036 21.879
7 HG2 MET 1 HG2 MET 1 58.241 -25.160 20.963
8 HG3 MET 1 HG1 MET 1 57.764 -23.469 20.866
9 HE1 MET 1 HE1 MET 1 56.236 -23.043 23.938
10 HE2 MET 1 HE2 MET 1 56.962 -22.155 22.603
11 HE3 MET 1 HE3 MET 1 57.683 -22.062 24.208
12 H ALA 2 HN ALA 2 54.042 -24.543 22.556
13 HA ALA 2 HA ALA 2 51.957 -26.513 22.013
14 HB1 ALA 2 HB1 ALA 2 52.279 -26.765 24.407
15 HB2 ALA 2 HB2 ALA 2 50.763 -25.911 24.117
16 HB3 ALA 2 HB3 ALA 2 52.194 -25.018 24.634
17 H GLU 3 HN GLU 3 49.921 -25.554 21.545
18 HA GLU 3 HA GLU 3 50.034 -23.115 20.145
19 HB2 GLU 3 HB2 GLU 3 48.369 -24.898 19.707
20 HB3 GLU 3 HB1 GLU 3 47.598 -24.534 21.250
21 HG2 GLU 3 HG2 GLU 3 47.123 -22.250 20.507
22 HG3 GLU 3 HG1 GLU 3 47.955 -22.555 18.983
23 H ALA 4 HN ALA 4 49.360 -21.055 20.635
24 HA ALA 4 HA ALA 4 48.639 -19.269 21.914
25 HB1 ALA 4 HB1 ALA 4 48.232 -20.867 24.382
26 HB2 ALA 4 HB2 ALA 4 47.178 -21.241 23.018
27 HB3 ALA 4 HB3 ALA 4 47.224 -19.608 23.675
28 H HIS 5 HN HIS 5 50.828 -21.672 23.207
29 HA HIS 5 HA HIS 5 52.109 -19.791 25.015
30 HB2 HIS 5 HB2 HIS 5 52.685 -22.664 24.272
31 HB3 HIS 5 HB1 HIS 5 53.681 -21.733 25.390
32 HD2 HIS 5 HD2 HIS 5 50.338 -23.674 25.399
33 HE1 HIS 5 HE1 HIS 5 50.576 -21.613 29.076
34 HE2 HIS 5 HE2 HIS 5 49.294 -23.376 27.773
35 H GLN 6 HN GLN 6 52.308 -20.573 21.729
36 HA GLN 6 HA GLN 6 55.086 -20.320 21.255
37 HB2 GLN 6 HB2 GLN 6 52.711 -19.740 19.472
38 HB3 GLN 6 HB1 GLN 6 54.386 -19.751 18.919
39 HG2 GLN 6 HG2 GLN 6 54.624 -22.086 19.656
40 HG3 GLN 6 HG1 GLN 6 52.954 -22.083 20.227
41 HE21 GLN 6 HE21 GLN 6 53.012 -23.981 18.505
42 HE22 GLN 6 HE22 GLN 6 52.586 -23.541 16.921
43 H ALA 7 HN ALA 7 52.462 -17.938 21.434
44 HA ALA 7 HA ALA 7 54.457 -15.830 21.815
45 HB1 ALA 7 HB1 ALA 7 52.295 -15.047 19.981
46 HB2 ALA 7 HB2 ALA 7 53.460 -16.180 19.301
47 HB3 ALA 7 HB3 ALA 7 54.007 -14.633 19.947
48 H VAL 8 HN VAL 8 53.667 -14.014 22.911
49 HA VAL 8 HA VAL 8 50.920 -14.276 23.984
50 HB VAL 8 HB VAL 8 51.778 -13.274 26.083
51 HG11 VAL 8 HG11 VAL 8 52.168 -15.912 25.088
52 HG12 VAL 8 HG12 VAL 8 51.992 -15.405 26.771
53 HG13 VAL 8 HG13 VAL 8 53.594 -15.499 26.042
54 HG21 VAL 8 HG21 VAL 8 53.719 -12.079 25.328
55 HG22 VAL 8 HG22 VAL 8 54.419 -13.535 24.618
56 HG23 VAL 8 HG23 VAL 8 54.310 -13.374 26.371
57 H GLY 9 HN GLY 9 49.633 -12.544 23.840
58 HA2 GLY 9 HA2 GLY 9 49.028 -10.284 23.735
59 HA3 GLY 9 HA1 GLY 9 50.730 -9.857 23.576
60 H PHE 10 HN PHE 10 50.084 -12.348 21.484
61 HA PHE 10 HA PHE 10 49.840 -10.490 19.207
62 HB2 PHE 10 HB2 PHE 10 50.851 -13.328 19.383
63 HB3 PHE 10 HB1 PHE 10 50.675 -12.438 17.873
64 HD1 PHE 10 HD2 PHE 10 52.050 -10.426 17.430
65 HD2 PHE 10 HD1 PHE 10 52.611 -12.824 20.949
66 HE1 PHE 10 HE2 PHE 10 54.253 -9.353 17.810
67 HE2 PHE 10 HE1 PHE 10 54.813 -11.751 21.331
68 HZ PHE 10 HZ PHE 10 55.634 -10.017 19.761
69 H ARG 11 HN ARG 11 47.788 -12.086 21.059
70 HA ARG 11 HA ARG 11 46.004 -12.766 18.802
71 HB2 ARG 11 HB2 ARG 11 46.855 -14.866 19.679
72 HB3 ARG 11 HB1 ARG 11 46.434 -14.382 21.322
73 HG2 ARG 11 HG2 ARG 11 44.194 -14.747 21.008
74 HG3 ARG 11 HG1 ARG 11 44.248 -14.271 19.310
75 HD2 ARG 11 HD2 ARG 11 45.291 -16.383 18.704
76 HD3 ARG 11 HD1 ARG 11 45.393 -16.856 20.398
77 HE ARG 11 HE ARG 11 42.701 -16.284 19.757
78 HH11 ARG 11 HH21 ARG 11 45.220 -18.580 19.143
79 HH12 ARG 11 HH22 ARG 11 44.131 -19.891 18.832
80 HH21 ARG 11 HH11 ARG 11 41.279 -17.984 19.345
81 HH22 ARG 11 HH12 ARG 11 41.895 -19.553 18.948
82 HA PRO 12 HA PRO 12 44.100 -9.740 21.792
83 HB2 PRO 12 HB2 PRO 12 42.802 -8.814 19.298
84 HB3 PRO 12 HB1 PRO 12 43.685 -7.887 20.523
85 HG2 PRO 12 HG2 PRO 12 44.690 -8.400 18.083
86 HG3 PRO 12 HG1 PRO 12 45.702 -8.233 19.527
87 HD2 PRO 12 HD2 PRO 12 44.926 -10.709 18.049
88 HD3 PRO 12 HD1 PRO 12 46.418 -10.342 18.940
89 H SER 13 HN SER 13 42.045 -9.785 22.645
90 HA SER 13 HA SER 13 40.440 -12.053 22.216
91 HB2 SER 13 HB2 SER 13 39.703 -9.424 23.523
92 HB3 SER 13 HB1 SER 13 38.805 -10.930 23.674
93 HG SER 13 HG SER 13 41.308 -10.201 24.707
94 H LEU 14 HN LEU 14 40.196 -8.731 21.024
95 HA LEU 14 HA LEU 14 37.862 -9.497 19.393
96 HB2 LEU 14 HB2 LEU 14 39.013 -6.759 19.993
97 HB3 LEU 14 HB1 LEU 14 37.544 -7.074 19.067
98 HG LEU 14 HG LEU 14 37.995 -7.845 21.968
99 HD11 LEU 14 HD11 LEU 14 37.479 -5.334 21.007
100 HD12 LEU 14 HD12 LEU 14 36.967 -5.914 22.591
101 HD13 LEU 14 HD13 LEU 14 35.844 -5.956 21.233
102 HD21 LEU 14 HD21 LEU 14 36.430 -9.403 21.321
103 HD22 LEU 14 HD22 LEU 14 35.866 -8.431 19.960
104 HD23 LEU 14 HD23 LEU 14 35.337 -8.045 21.597
105 H THR 15 HN THR 15 38.002 -9.687 17.252
106 HA THR 15 HA THR 15 40.499 -9.788 15.940
107 HB THR 15 HB THR 15 37.713 -9.619 14.766
108 HG1 THR 15 HG1 THR 15 39.038 -11.981 14.678
109 HG21 THR 15 HG21 THR 15 39.082 -9.177 12.938
110 HG22 THR 15 HG22 THR 15 39.043 -10.940 12.916
111 HG23 THR 15 HG23 THR 15 40.431 -10.096 13.601
112 H SER 16 HN SER 16 37.913 -7.351 15.903
113 HA SER 16 HA SER 16 39.809 -5.259 15.194
114 HB2 SER 16 HB2 SER 16 38.416 -4.533 13.231
115 HB3 SER 16 HB1 SER 16 39.268 -6.052 12.980
116 HG SER 16 HG SER 16 36.828 -5.785 12.541
117 H ASP 17 HN ASP 17 38.780 -3.107 15.228
118 HA ASP 17 HA ASP 17 37.105 -2.788 17.490
119 HB2 ASP 17 HB2 ASP 17 37.091 -0.400 16.850
120 HB3 ASP 17 HB1 ASP 17 38.718 -1.083 16.813
121 H GLY 18 HN GLY 18 36.469 -2.975 14.039
122 HA2 GLY 18 HA2 GLY 18 33.632 -3.315 14.525
123 HA3 GLY 18 HA1 GLY 18 34.041 -1.830 13.673
124 H ALA 19 HN ALA 19 32.448 -3.590 12.386
125 HA ALA 19 HA ALA 19 33.718 -5.566 10.807
126 HB1 ALA 19 HB1 ALA 19 31.510 -5.885 10.480
127 HB2 ALA 19 HB2 ALA 19 31.621 -4.612 9.265
128 HB3 ALA 19 HB3 ALA 19 31.126 -4.218 10.911
129 H GLU 20 HN GLU 20 34.622 -5.498 8.734
130 HA GLU 20 HA GLU 20 35.984 -3.128 7.970
131 HB2 GLU 20 HB2 GLU 20 35.471 -5.697 6.440
132 HB3 GLU 20 HB1 GLU 20 36.560 -4.424 5.904
133 HG2 GLU 20 HG2 GLU 20 38.020 -5.884 6.987
134 HG3 GLU 20 HG1 GLU 20 37.666 -4.714 8.253
135 H VAL 21 HN VAL 21 33.000 -4.643 6.835
136 HA VAL 21 HA VAL 21 32.592 -3.003 4.570
137 HB VAL 21 HB VAL 21 30.669 -4.499 6.351
138 HG11 VAL 21 HG11 VAL 21 29.228 -4.235 4.168
139 HG12 VAL 21 HG12 VAL 21 30.241 -2.816 3.893
140 HG13 VAL 21 HG13 VAL 21 29.253 -2.924 5.349
141 HG21 VAL 21 HG21 VAL 21 32.458 -5.673 4.927
142 HG22 VAL 21 HG22 VAL 21 31.554 -5.097 3.528
143 HG23 VAL 21 HG23 VAL 21 30.788 -6.188 4.687
144 H GLU 22 HN GLU 22 31.479 -2.711 7.939
145 HA GLU 22 HA GLU 22 29.958 -0.357 7.538
146 HB2 GLU 22 HB2 GLU 22 31.227 -1.477 10.039
147 HB3 GLU 22 HB1 GLU 22 30.137 -0.094 10.016
148 HG2 GLU 22 HG2 GLU 22 28.361 -1.456 9.039
149 HG3 GLU 22 HG1 GLU 22 29.439 -2.841 8.942
150 H LEU 23 HN LEU 23 33.357 -0.857 8.419
151 HA LEU 23 HA LEU 23 33.744 2.074 8.454
152 HB2 LEU 23 HB2 LEU 23 35.543 -0.136 9.477
153 HB3 LEU 23 HB1 LEU 23 35.879 1.593 9.596
154 HG LEU 23 HG LEU 23 33.488 0.180 10.821
155 HD11 LEU 23 HD11 LEU 23 34.640 0.811 12.972
156 HD12 LEU 23 HD12 LEU 23 36.056 1.251 12.020
157 HD13 LEU 23 HD13 LEU 23 35.488 -0.419 12.036
158 HD21 LEU 23 HD21 LEU 23 32.694 2.333 10.582
159 HD22 LEU 23 HD22 LEU 23 34.308 3.039 10.548
160 HD23 LEU 23 HD23 LEU 23 33.599 2.540 12.082
161 H SER 24 HN SER 24 34.747 3.032 6.822
162 HA SER 24 HA SER 24 35.468 1.719 4.465
163 HB2 SER 24 HB2 SER 24 36.231 4.438 5.527
164 HB3 SER 24 HB1 SER 24 36.634 3.883 3.901
165 HG SER 24 HG SER 24 34.706 4.703 3.536
166 H ALA 25 HN ALA 25 36.959 0.696 6.960
167 HA ALA 25 HA ALA 25 39.620 1.329 6.974
168 HB1 ALA 25 HB1 ALA 25 38.002 -0.815 7.924
169 HB2 ALA 25 HB2 ALA 25 39.591 -0.304 8.490
170 HB3 ALA 25 HB3 ALA 25 39.456 -1.499 7.200
171 HA PRO 26 HA PRO 26 40.391 -2.075 3.513
172 HB2 PRO 26 HB2 PRO 26 37.957 -1.507 1.889
173 HB3 PRO 26 HB1 PRO 26 38.790 -3.045 2.177
174 HG2 PRO 26 HG2 PRO 26 36.487 -2.476 3.371
175 HG3 PRO 26 HG1 PRO 26 37.764 -3.381 4.198
176 HD2 PRO 26 HD2 PRO 26 36.926 -0.538 4.571
177 HD3 PRO 26 HD1 PRO 26 37.554 -1.691 5.769
178 H VAL 27 HN VAL 27 38.569 0.894 2.756
179 HA VAL 27 HA VAL 27 40.086 1.592 0.435
180 HB VAL 27 HB VAL 27 38.383 3.240 2.318
181 HG11 VAL 27 HG11 VAL 27 40.130 3.986 0.059
182 HG12 VAL 27 HG12 VAL 27 39.474 4.990 1.352
183 HG13 VAL 27 HG13 VAL 27 38.484 4.602 -0.055
184 HG21 VAL 27 HG21 VAL 27 37.185 1.514 1.023
185 HG22 VAL 27 HG22 VAL 27 37.903 2.132 -0.465
186 HG23 VAL 27 HG23 VAL 27 36.771 3.127 0.448
187 H LEU 28 HN LEU 28 40.239 2.439 3.861
188 HA LEU 28 HA LEU 28 42.338 4.317 3.667
189 HB2 LEU 28 HB2 LEU 28 41.438 2.555 5.947
190 HB3 LEU 28 HB1 LEU 28 42.692 3.780 6.116
191 HG LEU 28 HG LEU 28 39.894 4.350 5.084
192 HD11 LEU 28 HD11 LEU 28 39.812 5.519 7.434
193 HD12 LEU 28 HD12 LEU 28 41.065 4.345 7.844
194 HD13 LEU 28 HD13 LEU 28 39.481 3.792 7.302
195 HD21 LEU 28 HD21 LEU 28 40.914 6.680 6.129
196 HD22 LEU 28 HD22 LEU 28 40.956 6.255 4.419
197 HD23 LEU 28 HD23 LEU 28 42.361 5.947 5.438
198 H GLN 29 HN GLN 29 42.360 0.805 4.183
199 HA GLN 29 HA GLN 29 45.138 0.554 4.639
200 HB2 GLN 29 HB2 GLN 29 43.110 -1.408 3.544
201 HB3 GLN 29 HB1 GLN 29 44.778 -1.839 3.926
202 HG2 GLN 29 HG2 GLN 29 44.459 -1.139 6.252
203 HG3 GLN 29 HG1 GLN 29 42.814 -0.620 5.892
204 HE21 GLN 29 HE21 GLN 29 42.669 -2.378 7.831
205 HE22 GLN 29 HE22 GLN 29 42.326 -3.958 7.305
206 H GLU 30 HN GLU 30 43.242 0.494 1.619
207 HA GLU 30 HA GLU 30 45.430 -0.217 -0.053
208 HB2 GLU 30 HB2 GLU 30 42.844 1.231 -0.641
209 HB3 GLU 30 HB1 GLU 30 43.998 0.745 -1.884
210 HG2 GLU 30 HG2 GLU 30 43.776 -1.596 -1.223
211 HG3 GLU 30 HG1 GLU 30 42.692 -1.147 0.093
212 H ILE 31 HN ILE 31 44.123 2.899 1.047
213 HA ILE 31 HA ILE 31 45.779 4.533 -0.586
214 HB ILE 31 HB ILE 31 44.442 5.044 2.081
215 HG12 ILE 31 HG12 ILE 31 43.746 6.070 -0.688
216 HG13 ILE 31 HG11 ILE 31 43.020 4.622 0.014
217 HG21 ILE 31 HG21 ILE 31 44.851 7.507 1.043
218 HG22 ILE 31 HG22 ILE 31 46.284 6.689 0.426
219 HG23 ILE 31 HG23 ILE 31 45.978 6.742 2.159
220 HD11 ILE 31 HD11 ILE 31 41.995 5.856 1.773
221 HD12 ILE 31 HD12 ILE 31 41.726 6.827 0.326
222 HD13 ILE 31 HD13 ILE 31 42.996 7.274 1.464
223 H TYR 32 HN TYR 32 46.133 3.242 2.717
224 HA TYR 32 HA TYR 32 48.566 4.514 3.350
225 HB2 TYR 32 HB2 TYR 32 47.229 3.416 5.060
226 HB3 TYR 32 HB1 TYR 32 47.458 1.854 4.272
227 HD1 TYR 32 HD1 TYR 32 49.319 4.671 5.890
228 HD2 TYR 32 HD2 TYR 32 49.357 0.541 4.709
229 HE1 TYR 32 HE1 TYR 32 51.456 4.339 7.111
230 HE2 TYR 32 HE2 TYR 32 51.488 0.206 5.926
231 HH TYR 32 HH TYR 32 53.467 1.791 6.641
232 H LEU 33 HN LEU 33 47.928 1.302 1.943
233 HA LEU 33 HA LEU 33 50.627 0.501 1.731
234 HB2 LEU 33 HB2 LEU 33 48.185 -0.312 0.151
235 HB3 LEU 33 HB1 LEU 33 49.755 -1.091 -0.013
236 HG LEU 33 HG LEU 33 48.286 -0.818 2.623
237 HD11 LEU 33 HD11 LEU 33 46.982 -2.208 1.064
238 HD12 LEU 33 HD12 LEU 33 47.682 -3.190 2.352
239 HD13 LEU 33 HD13 LEU 33 48.410 -3.198 0.747
240 HD21 LEU 33 HD21 LEU 33 49.890 -2.909 2.986
241 HD22 LEU 33 HD22 LEU 33 50.477 -1.268 3.228
242 HD23 LEU 33 HD23 LEU 33 50.835 -2.122 1.727
243 H SER 34 HN SER 34 48.471 2.178 -0.521
244 HA SER 34 HA SER 34 50.319 2.210 -2.689
245 HB2 SER 34 HB2 SER 34 48.806 3.922 -3.643
246 HB3 SER 34 HB1 SER 34 47.936 2.498 -3.084
247 HG SER 34 HG SER 34 48.352 4.813 -1.499
248 H GLY 35 HN GLY 35 49.634 4.457 -0.039
249 HA2 GLY 35 HA2 GLY 35 51.220 6.593 -1.030
250 HA3 GLY 35 HA1 GLY 35 50.694 6.374 0.636
251 H LEU 36 HN LEU 36 51.936 3.880 1.189
252 HA LEU 36 HA LEU 36 54.507 4.737 1.929
253 HB2 LEU 36 HB2 LEU 36 53.330 2.959 3.128
254 HB3 LEU 36 HB1 LEU 36 53.396 1.925 1.706
255 HG LEU 36 HG LEU 36 55.856 1.883 1.832
256 HD11 LEU 36 HD11 LEU 36 55.334 3.918 3.968
257 HD12 LEU 36 HD12 LEU 36 56.591 3.894 2.730
258 HD13 LEU 36 HD13 LEU 36 56.727 2.851 4.146
259 HD21 LEU 36 HD21 LEU 36 56.017 0.800 4.168
260 HD22 LEU 36 HD22 LEU 36 54.835 0.117 3.053
261 HD23 LEU 36 HD23 LEU 36 54.308 1.202 4.337
262 H ARG 37 HN ARG 37 53.423 2.720 -0.813
263 HA ARG 37 HA ARG 37 56.021 2.088 -1.753
264 HB2 ARG 37 HB2 ARG 37 53.335 2.241 -3.131
265 HB3 ARG 37 HB1 ARG 37 54.805 1.688 -3.944
266 HG2 ARG 37 HG2 ARG 37 55.096 -0.078 -2.268
267 HG3 ARG 37 HG1 ARG 37 53.673 0.492 -1.397
268 HD2 ARG 37 HD2 ARG 37 53.616 -0.438 -4.277
269 HD3 ARG 37 HD1 ARG 37 53.233 -1.473 -2.903
270 HE ARG 37 HE ARG 37 51.660 0.831 -2.676
271 HH11 ARG 37 HH21 ARG 37 52.160 -1.852 -4.777
272 HH12 ARG 37 HH22 ARG 37 50.522 -1.905 -5.337
273 HH21 ARG 37 HH11 ARG 37 49.499 0.765 -3.372
274 HH22 ARG 37 HH12 ARG 37 49.006 -0.430 -4.526
275 H SER 38 HN SER 38 53.805 4.754 -2.460
276 HA SER 38 HA SER 38 55.463 5.974 -4.456
277 HB2 SER 38 HB2 SER 38 53.030 6.317 -4.389
278 HB3 SER 38 HB1 SER 38 53.191 7.125 -2.828
279 HG SER 38 HG SER 38 54.086 8.816 -3.780
280 H TRP 39 HN TRP 39 55.000 6.378 -0.985
281 HA TRP 39 HA TRP 39 56.305 8.828 -0.666
282 HB2 TRP 39 HB2 TRP 39 55.959 6.488 1.200
283 HB3 TRP 39 HB1 TRP 39 56.699 8.007 1.691
284 HD1 TRP 39 HD1 TRP 39 54.050 8.773 -0.770
285 HE1 TRP 39 HE1 TRP 39 51.925 9.588 0.427
286 HE3 TRP 39 HE3 TRP 39 55.145 7.403 4.040
287 HZ2 TRP 39 HZ2 TRP 39 50.826 9.656 3.063
288 HZ3 TRP 39 HZ3 TRP 39 53.538 7.860 5.869
289 HH2 TRP 39 HH2 TRP 39 51.381 8.984 5.388
290 H LYS 40 HN LYS 40 57.737 5.536 -0.789
291 HA LYS 40 HA LYS 40 60.278 6.288 0.166
292 HB2 LYS 40 HB2 LYS 40 59.520 3.931 -0.217
293 HB3 LYS 40 HB1 LYS 40 59.691 4.204 -1.947
294 HG2 LYS 40 HG2 LYS 40 62.075 4.727 -1.656
295 HG3 LYS 40 HG1 LYS 40 61.912 4.520 0.087
296 HD2 LYS 40 HD2 LYS 40 61.269 2.166 -0.238
297 HD3 LYS 40 HD1 LYS 40 61.425 2.355 -1.986
298 HE2 LYS 40 HE2 LYS 40 63.816 2.924 -1.704
299 HE3 LYS 40 HE1 LYS 40 63.655 2.738 0.042
300 HZ1 LYS 40 HZ1 LYS 40 62.687 0.414 -0.758
301 HZ2 LYS 40 HZ2 LYS 40 64.340 0.661 -0.454
302 HZ3 LYS 40 HZ3 LYS 40 63.749 0.708 -2.046
303 H ARG 41 HN ARG 41 58.971 6.273 -3.161
304 HA ARG 41 HA ARG 41 61.347 7.076 -4.430
305 HB2 ARG 41 HB2 ARG 41 58.441 7.350 -5.172
306 HB3 ARG 41 HB1 ARG 41 59.752 7.829 -6.250
307 HG2 ARG 41 HG2 ARG 41 60.692 5.553 -6.137
308 HG3 ARG 41 HG1 ARG 41 59.401 5.069 -5.042
309 HD2 ARG 41 HD2 ARG 41 57.733 5.597 -6.786
310 HD3 ARG 41 HD1 ARG 41 59.026 6.061 -7.880
311 HE ARG 41 HE ARG 41 58.317 3.336 -7.071
312 HH11 ARG 41 HH21 ARG 41 60.521 5.485 -8.672
313 HH12 ARG 41 HH22 ARG 41 61.284 4.232 -9.592
314 HH21 ARG 41 HH11 ARG 41 59.310 1.694 -8.303
315 HH22 ARG 41 HH12 ARG 41 60.596 2.093 -9.386
316 H HIS 42 HN HIS 42 58.705 8.930 -3.063
317 HA HIS 42 HA HIS 42 59.785 11.500 -3.908
318 HB2 HIS 42 HB2 HIS 42 57.426 10.789 -2.153
319 HB3 HIS 42 HB1 HIS 42 57.865 12.432 -2.610
320 HD2 HIS 42 HD2 HIS 42 55.622 9.713 -3.932
321 HE1 HIS 42 HE1 HIS 42 56.624 12.025 -7.317
322 HE2 HIS 42 HE2 HIS 42 55.073 10.216 -6.437
323 H LEU 43 HN LEU 43 59.706 9.531 -1.034
324 HA LEU 43 HA LEU 43 60.663 11.580 0.751
325 HB2 LEU 43 HB2 LEU 43 59.151 9.780 1.519
326 HB3 LEU 43 HB1 LEU 43 60.420 8.599 1.201
327 HG LEU 43 HG LEU 43 61.884 9.719 2.846
328 HD11 LEU 43 HD11 LEU 43 60.433 11.348 4.402
329 HD12 LEU 43 HD12 LEU 43 59.625 11.675 2.869
330 HD13 LEU 43 HD13 LEU 43 61.359 11.958 3.029
331 HD21 LEU 43 HD21 LEU 43 59.117 8.913 3.773
332 HD22 LEU 43 HD22 LEU 43 60.442 9.229 4.891
333 HD23 LEU 43 HD23 LEU 43 60.574 7.918 3.721
334 H SER 44 HN SER 44 62.245 9.097 -1.191
335 HA SER 44 HA SER 44 64.583 8.818 0.319
336 HB2 SER 44 HB2 SER 44 65.643 8.112 -1.782
337 HB3 SER 44 HB1 SER 44 64.052 7.384 -1.572
338 HG SER 44 HG SER 44 64.939 9.245 -3.414
339 H ARG 45 HN ARG 45 63.874 11.250 -2.261
340 HA ARG 45 HA ARG 45 66.441 12.356 -2.249
341 HB2 ARG 45 HB2 ARG 45 64.729 12.765 -3.982
342 HB3 ARG 45 HB1 ARG 45 63.813 13.737 -2.831
343 HG2 ARG 45 HG2 ARG 45 65.735 15.279 -2.606
344 HG3 ARG 45 HG1 ARG 45 66.635 14.311 -3.773
345 HD2 ARG 45 HD2 ARG 45 64.813 14.713 -5.435
346 HD3 ARG 45 HD1 ARG 45 64.047 15.795 -4.278
347 HE ARG 45 HE ARG 45 66.793 16.492 -4.813
348 HH11 ARG 45 HH21 ARG 45 63.510 16.715 -5.873
349 HH12 ARG 45 HH22 ARG 45 63.748 18.185 -6.759
350 HH21 ARG 45 HH11 ARG 45 67.124 18.407 -5.976
351 HH22 ARG 45 HH12 ARG 45 65.803 19.145 -6.821
352 H PHE 46 HN PHE 46 63.573 13.319 -0.446
353 HA PHE 46 HA PHE 46 64.662 15.522 0.950
354 HB2 PHE 46 HB2 PHE 46 62.258 15.163 0.833
355 HB3 PHE 46 HB1 PHE 46 62.411 13.670 1.759
356 HD1 PHE 46 HD1 PHE 46 63.063 17.337 1.911
357 HD2 PHE 46 HD2 PHE 46 62.403 13.725 4.146
358 HE1 PHE 46 HE1 PHE 46 62.933 18.655 4.001
359 HE2 PHE 46 HE2 PHE 46 62.275 15.050 6.243
360 HZ PHE 46 HZ PHE 46 62.539 17.518 6.168
361 H TRP 47 HN TRP 47 64.453 12.113 1.779
362 HA TRP 47 HA TRP 47 65.605 12.400 4.390
363 HB2 TRP 47 HB2 TRP 47 64.159 10.546 4.055
364 HB3 TRP 47 HB1 TRP 47 65.050 10.017 2.629
365 HD1 TRP 47 HD1 TRP 47 67.090 8.494 2.977
366 HE1 TRP 47 HE1 TRP 47 68.226 7.460 5.047
367 HE3 TRP 47 HE3 TRP 47 64.712 11.101 6.663
368 HZ2 TRP 47 HZ2 TRP 47 68.121 7.700 7.894
369 HZ3 TRP 47 HZ3 TRP 47 65.245 10.681 9.046
370 HH2 TRP 47 HH2 TRP 47 66.947 8.984 9.665
371 H ASN 48 HN ASN 48 66.839 11.334 1.223
372 HA ASN 48 HA ASN 48 69.433 10.621 2.111
373 HB2 ASN 48 HB2 ASN 48 68.508 9.965 -0.106
374 HB3 ASN 48 HB1 ASN 48 68.610 11.652 -0.618
375 HD21 ASN 48 HD21 ASN 48 70.276 11.335 -2.219
376 HD22 ASN 48 HD22 ASN 48 71.854 10.866 -1.805
377 H ASP 49 HN ASP 49 68.068 13.645 0.847
378 HA ASP 49 HA ASP 49 70.616 15.021 1.321
379 HB2 ASP 49 HB2 ASP 49 69.250 15.359 -0.810
380 HB3 ASP 49 HB1 ASP 49 68.089 16.227 0.191
381 H PHE 50 HN PHE 50 70.904 15.680 3.371
382 HA PHE 50 HA PHE 50 70.447 16.499 5.479
383 HB2 PHE 50 HB2 PHE 50 68.635 18.258 3.803
384 HB3 PHE 50 HB1 PHE 50 69.069 18.575 5.486
385 HD1 PHE 50 HD1 PHE 50 71.558 18.791 6.076
386 HD2 PHE 50 HD2 PHE 50 70.074 18.885 2.050
387 HE1 PHE 50 HE1 PHE 50 73.675 19.844 5.320
388 HE2 PHE 50 HE2 PHE 50 72.188 19.931 1.291
389 HZ PHE 50 HZ PHE 50 73.989 20.413 2.925
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 -5.313 -9.557 10.373
2 H2 MET 1 HT2 MET 1 -4.308 -10.871 9.981
3 H3 MET 1 HT3 MET 1 -3.927 -9.312 9.424
4 HA MET 1 HA MET 1 -4.140 -9.101 12.175
5 HB2 MET 1 HB2 MET 1 -2.570 -11.527 11.253
6 HB3 MET 1 HB1 MET 1 -2.379 -10.777 12.839
7 HG2 MET 1 HG2 MET 1 -4.788 -11.141 13.288
8 HG3 MET 1 HG1 MET 1 -4.951 -11.935 11.722
9 HE1 MET 1 HE1 MET 1 -4.029 -13.945 10.986
10 HE2 MET 1 HE2 MET 1 -3.273 -15.224 11.928
11 HE3 MET 1 HE3 MET 1 -2.317 -13.839 11.415
12 H ALA 2 HN ALA 2 -3.249 -7.122 11.815
13 HA ALA 2 HA ALA 2 -1.114 -6.563 10.057
14 HB1 ALA 2 HB1 ALA 2 -2.456 -5.127 12.300
15 HB2 ALA 2 HB2 ALA 2 -2.220 -4.631 10.625
16 HB3 ALA 2 HB3 ALA 2 -0.883 -4.529 11.769
17 H GLU 3 HN GLU 3 -1.206 -7.465 13.468
18 HA GLU 3 HA GLU 3 1.529 -6.967 14.034
19 HB2 GLU 3 HB2 GLU 3 -0.465 -8.858 15.304
20 HB3 GLU 3 HB1 GLU 3 1.150 -8.552 15.942
21 HG2 GLU 3 HG2 GLU 3 0.644 -6.171 16.179
22 HG3 GLU 3 HG1 GLU 3 -0.946 -6.419 15.458
23 H ALA 4 HN ALA 4 -0.207 -9.740 12.729
24 HA ALA 4 HA ALA 4 1.900 -11.616 12.895
25 HB1 ALA 4 HB1 ALA 4 -0.514 -12.138 12.428
26 HB2 ALA 4 HB2 ALA 4 0.624 -12.933 11.340
27 HB3 ALA 4 HB3 ALA 4 -0.272 -11.517 10.796
28 H HIS 5 HN HIS 5 1.014 -9.218 10.466
29 HA HIS 5 HA HIS 5 3.167 -10.073 8.687
30 HB2 HIS 5 HB2 HIS 5 0.767 -9.158 8.064
31 HB3 HIS 5 HB1 HIS 5 1.561 -7.593 8.237
32 HD2 HIS 5 HD2 HIS 5 1.498 -10.598 5.763
33 HE1 HIS 5 HE1 HIS 5 4.364 -7.844 4.334
34 HE2 HIS 5 HE2 HIS 5 3.059 -9.949 3.770
35 H GLN 6 HN GLN 6 5.150 -9.241 8.726
36 HA GLN 6 HA GLN 6 5.552 -6.515 9.763
37 HB2 GLN 6 HB2 GLN 6 7.028 -8.988 10.693
38 HB3 GLN 6 HB1 GLN 6 7.579 -7.341 11.007
39 HG2 GLN 6 HG2 GLN 6 5.488 -6.843 12.189
40 HG3 GLN 6 HG1 GLN 6 4.882 -8.459 11.830
41 HE21 GLN 6 HE21 GLN 6 4.845 -8.228 14.422
42 HE22 GLN 6 HE22 GLN 6 6.220 -8.848 15.204
43 H ALA 7 HN ALA 7 7.540 -5.533 9.066
44 HA ALA 7 HA ALA 7 8.192 -6.110 6.367
45 HB1 ALA 7 HB1 ALA 7 8.409 -3.854 7.105
46 HB2 ALA 7 HB2 ALA 7 10.051 -4.423 6.791
47 HB3 ALA 7 HB3 ALA 7 9.453 -4.323 8.448
48 H VAL 8 HN VAL 8 9.921 -7.127 5.454
49 HA VAL 8 HA VAL 8 11.164 -9.223 6.875
50 HB VAL 8 HB VAL 8 10.812 -9.283 4.445
51 HG11 VAL 8 HG11 VAL 8 11.948 -7.848 2.948
52 HG12 VAL 8 HG12 VAL 8 13.091 -7.321 4.185
53 HG13 VAL 8 HG13 VAL 8 11.414 -6.774 4.243
54 HG21 VAL 8 HG21 VAL 8 13.795 -9.277 4.802
55 HG22 VAL 8 HG22 VAL 8 12.776 -10.452 3.967
56 HG23 VAL 8 HG23 VAL 8 12.821 -10.417 5.730
57 H GLY 9 HN GLY 9 12.365 -6.033 5.855
58 HA2 GLY 9 HA2 GLY 9 14.815 -6.499 7.444
59 HA3 GLY 9 HA1 GLY 9 14.660 -5.323 6.144
60 H PHE 10 HN PHE 10 15.188 -5.345 9.249
61 HA PHE 10 HA PHE 10 13.164 -3.787 10.455
62 HB2 PHE 10 HB2 PHE 10 16.120 -4.019 11.055
63 HB3 PHE 10 HB1 PHE 10 14.983 -3.128 12.067
64 HD1 PHE 10 HD2 PHE 10 13.119 -4.316 13.211
65 HD2 PHE 10 HD1 PHE 10 16.158 -6.427 11.032
66 HE1 PHE 10 HE2 PHE 10 12.447 -6.428 14.321
67 HE2 PHE 10 HE1 PHE 10 15.486 -8.542 12.139
68 HZ PHE 10 HZ PHE 10 13.630 -8.546 13.785
69 H ARG 11 HN ARG 11 16.123 -2.906 8.723
70 HA ARG 11 HA ARG 11 15.018 -0.206 8.310
71 HB2 ARG 11 HB2 ARG 11 16.691 -0.236 10.214
72 HB3 ARG 11 HB1 ARG 11 17.911 -0.685 9.020
73 HG2 ARG 11 HG2 ARG 11 17.333 1.346 7.703
74 HG3 ARG 11 HG1 ARG 11 16.188 1.810 8.963
75 HD2 ARG 11 HD2 ARG 11 17.946 2.035 10.588
76 HD3 ARG 11 HD1 ARG 11 19.123 1.304 9.500
77 HE ARG 11 HE ARG 11 19.401 3.387 8.532
78 HH11 ARG 11 HH21 ARG 11 16.373 3.222 10.200
79 HH12 ARG 11 HH22 ARG 11 15.975 4.887 9.932
80 HH21 ARG 11 HH11 ARG 11 18.897 5.577 8.191
81 HH22 ARG 11 HH12 ARG 11 17.409 6.222 8.803
82 HA PRO 12 HA PRO 12 16.374 -2.314 4.366
83 HB2 PRO 12 HB2 PRO 12 14.331 -0.366 3.400
84 HB3 PRO 12 HB1 PRO 12 14.554 -2.074 2.978
85 HG2 PRO 12 HG2 PRO 12 12.582 -1.287 4.578
86 HG3 PRO 12 HG1 PRO 12 13.431 -2.820 4.837
87 HD2 PRO 12 HD2 PRO 12 13.667 -0.256 6.361
88 HD3 PRO 12 HD1 PRO 12 13.822 -1.931 6.938
89 H SER 13 HN SER 13 15.763 1.100 5.079
90 HA SER 13 HA SER 13 16.650 3.030 4.103
91 HB2 SER 13 HB2 SER 13 18.735 1.430 5.465
92 HB3 SER 13 HB1 SER 13 19.318 2.743 4.450
93 HG SER 13 HG SER 13 18.728 3.217 6.736
94 H LEU 14 HN LEU 14 19.473 1.119 3.267
95 HA LEU 14 HA LEU 14 18.982 1.747 0.421
96 HB2 LEU 14 HB2 LEU 14 20.980 2.822 1.491
97 HB3 LEU 14 HB1 LEU 14 21.629 1.211 1.788
98 HG LEU 14 HG LEU 14 21.551 0.750 -0.650
99 HD11 LEU 14 HD11 LEU 14 19.963 2.070 -1.676
100 HD12 LEU 14 HD12 LEU 14 21.384 3.068 -1.986
101 HD13 LEU 14 HD13 LEU 14 20.304 3.464 -0.650
102 HD21 LEU 14 HD21 LEU 14 23.148 3.017 -1.025
103 HD22 LEU 14 HD22 LEU 14 23.693 1.442 -0.451
104 HD23 LEU 14 HD23 LEU 14 23.237 2.696 0.705
105 H THR 15 HN THR 15 18.631 0.080 -0.905
106 HA THR 15 HA THR 15 19.237 -2.638 0.067
107 HB THR 15 HB THR 15 17.614 -3.413 -1.561
108 HG1 THR 15 HG1 THR 15 17.706 -2.132 -3.272
109 HG21 THR 15 HG21 THR 15 15.627 -2.439 -0.621
110 HG22 THR 15 HG22 THR 15 16.482 -0.955 -0.206
111 HG23 THR 15 HG23 THR 15 16.847 -2.451 0.652
112 H SER 16 HN SER 16 20.627 -0.310 -1.818
113 HA SER 16 HA SER 16 21.434 -1.831 -4.101
114 HB2 SER 16 HB2 SER 16 22.405 0.735 -2.852
115 HB3 SER 16 HB1 SER 16 23.245 0.006 -4.219
116 HG SER 16 HG SER 16 21.444 1.591 -4.605
117 H ASP 17 HN ASP 17 23.401 -2.848 -4.517
118 HA ASP 17 HA ASP 17 24.608 -4.180 -2.309
119 HB2 ASP 17 HB2 ASP 17 25.323 -4.004 -5.236
120 HB3 ASP 17 HB1 ASP 17 26.231 -4.983 -4.085
121 H GLY 18 HN GLY 18 25.183 -1.176 -3.855
122 HA2 GLY 18 HA2 GLY 18 27.970 -0.902 -3.343
123 HA3 GLY 18 HA1 GLY 18 26.843 0.412 -3.662
124 H ALA 19 HN ALA 19 28.918 0.650 -1.806
125 HA ALA 19 HA ALA 19 27.373 1.186 0.614
126 HB1 ALA 19 HB1 ALA 19 29.966 -0.030 1.242
127 HB2 ALA 19 HB2 ALA 19 28.824 -1.149 0.497
128 HB3 ALA 19 HB3 ALA 19 28.386 -0.300 1.977
129 H GLU 20 HN GLU 20 28.354 2.739 1.979
130 HA GLU 20 HA GLU 20 29.868 4.718 0.634
131 HB2 GLU 20 HB2 GLU 20 29.188 4.341 3.553
132 HB3 GLU 20 HB1 GLU 20 30.028 5.760 2.930
133 HG2 GLU 20 HG2 GLU 20 28.142 6.250 1.445
134 HG3 GLU 20 HG1 GLU 20 27.313 4.790 1.984
135 H VAL 21 HN VAL 21 31.993 5.283 0.746
136 HA VAL 21 HA VAL 21 33.914 3.252 1.128
137 HB VAL 21 HB VAL 21 35.569 5.033 0.777
138 HG11 VAL 21 HG11 VAL 21 34.811 5.729 -1.421
139 HG12 VAL 21 HG12 VAL 21 33.126 5.471 -0.967
140 HG13 VAL 21 HG13 VAL 21 34.215 4.094 -1.133
141 HG21 VAL 21 HG21 VAL 21 33.271 6.690 1.647
142 HG22 VAL 21 HG22 VAL 21 34.193 7.338 0.291
143 HG23 VAL 21 HG23 VAL 21 35.001 6.986 1.817
144 H GLU 22 HN GLU 22 32.545 5.573 3.335
145 HA GLU 22 HA GLU 22 34.621 5.706 5.229
146 HB2 GLU 22 HB2 GLU 22 31.620 5.908 5.559
147 HB3 GLU 22 HB1 GLU 22 32.777 6.268 6.841
148 HG2 GLU 22 HG2 GLU 22 33.813 8.004 5.464
149 HG3 GLU 22 HG1 GLU 22 32.737 7.612 4.124
150 H LEU 23 HN LEU 23 31.971 3.371 4.834
151 HA LEU 23 HA LEU 23 32.445 1.935 7.228
152 HB2 LEU 23 HB2 LEU 23 31.076 1.297 4.640
153 HB3 LEU 23 HB1 LEU 23 31.358 0.016 5.817
154 HG LEU 23 HG LEU 23 30.202 1.342 7.544
155 HD11 LEU 23 HD11 LEU 23 28.820 3.328 6.389
156 HD12 LEU 23 HD12 LEU 23 30.250 3.368 5.361
157 HD13 LEU 23 HD13 LEU 23 30.412 3.590 7.100
158 HD21 LEU 23 HD21 LEU 23 28.421 1.317 5.109
159 HD22 LEU 23 HD22 LEU 23 28.012 0.914 6.777
160 HD23 LEU 23 HD23 LEU 23 29.002 -0.189 5.821
161 H SER 24 HN SER 24 33.733 1.563 3.943
162 HA SER 24 HA SER 24 35.163 -0.829 4.431
163 HB2 SER 24 HB2 SER 24 35.987 1.289 2.455
164 HB3 SER 24 HB1 SER 24 36.199 -0.458 2.342
165 HG SER 24 HG SER 24 33.600 0.467 2.666
166 H ALA 25 HN ALA 25 36.526 -0.915 6.143
167 HA ALA 25 HA ALA 25 38.254 1.266 6.873
168 HB1 ALA 25 HB1 ALA 25 37.343 -1.054 8.127
169 HB2 ALA 25 HB2 ALA 25 38.496 0.110 8.775
170 HB3 ALA 25 HB3 ALA 25 39.073 -1.314 7.911
171 HA PRO 26 HA PRO 26 41.443 -1.963 4.912
172 HB2 PRO 26 HB2 PRO 26 39.674 -2.931 2.718
173 HB3 PRO 26 HB1 PRO 26 40.850 -3.826 3.700
174 HG2 PRO 26 HG2 PRO 26 38.249 -4.117 4.091
175 HG3 PRO 26 HG1 PRO 26 39.382 -4.084 5.456
176 HD2 PRO 26 HD2 PRO 26 37.547 -1.920 4.475
177 HD3 PRO 26 HD1 PRO 26 37.957 -2.376 6.143
178 H VAL 27 HN VAL 27 39.135 0.029 3.155
179 HA VAL 27 HA VAL 27 40.713 0.438 0.822
180 HB VAL 27 HB VAL 27 38.534 2.089 2.123
181 HG11 VAL 27 HG11 VAL 27 40.360 2.664 -0.161
182 HG12 VAL 27 HG12 VAL 27 39.532 3.783 0.926
183 HG13 VAL 27 HG13 VAL 27 38.650 3.025 -0.401
184 HG21 VAL 27 HG21 VAL 27 37.144 1.191 0.411
185 HG22 VAL 27 HG22 VAL 27 38.088 -0.182 0.993
186 HG23 VAL 27 HG23 VAL 27 38.531 0.615 -0.514
187 H LEU 28 HN LEU 28 40.371 2.160 3.896
188 HA LEU 28 HA LEU 28 42.175 4.263 3.311
189 HB2 LEU 28 HB2 LEU 28 41.307 3.021 5.928
190 HB3 LEU 28 HB1 LEU 28 42.334 4.451 5.829
191 HG LEU 28 HG LEU 28 39.610 4.237 4.506
192 HD11 LEU 28 HD11 LEU 28 38.871 4.314 6.662
193 HD12 LEU 28 HD12 LEU 28 39.261 6.029 6.515
194 HD13 LEU 28 HD13 LEU 28 40.408 4.926 7.275
195 HD21 LEU 28 HD21 LEU 28 40.475 6.050 3.423
196 HD22 LEU 28 HD22 LEU 28 41.744 6.292 4.620
197 HD23 LEU 28 HD23 LEU 28 40.116 6.889 4.930
198 H GLN 29 HN GLN 29 42.600 1.075 4.777
199 HA GLN 29 HA GLN 29 45.339 1.354 5.429
200 HB2 GLN 29 HB2 GLN 29 43.665 -1.093 4.835
201 HB3 GLN 29 HB1 GLN 29 45.324 -1.160 5.427
202 HG2 GLN 29 HG2 GLN 29 44.699 0.100 7.422
203 HG3 GLN 29 HG1 GLN 29 43.041 0.253 6.838
204 HE21 GLN 29 HE21 GLN 29 42.908 -0.923 9.143
205 HE22 GLN 29 HE22 GLN 29 42.840 -2.616 9.064
206 H GLU 30 HN GLU 30 43.662 0.140 2.508
207 HA GLU 30 HA GLU 30 46.042 -0.689 1.152
208 HB2 GLU 30 HB2 GLU 30 43.759 -1.413 0.491
209 HB3 GLU 30 HB1 GLU 30 43.415 0.227 -0.061
210 HG2 GLU 30 HG2 GLU 30 45.244 0.083 -1.701
211 HG3 GLU 30 HG1 GLU 30 45.649 -1.533 -1.129
212 H ILE 31 HN ILE 31 44.221 2.432 1.198
213 HA ILE 31 HA ILE 31 45.858 3.732 -0.777
214 HB ILE 31 HB ILE 31 44.259 4.853 1.541
215 HG12 ILE 31 HG12 ILE 31 43.646 4.772 -1.430
216 HG13 ILE 31 HG11 ILE 31 43.080 3.545 -0.307
217 HG21 ILE 31 HG21 ILE 31 45.681 6.605 1.035
218 HG22 ILE 31 HG22 ILE 31 44.399 6.890 -0.139
219 HG23 ILE 31 HG23 ILE 31 45.895 6.093 -0.641
220 HD11 ILE 31 HD11 ILE 31 42.528 6.495 0.024
221 HD12 ILE 31 HD12 ILE 31 41.812 5.184 0.955
222 HD13 ILE 31 HD13 ILE 31 41.398 5.388 -0.754
223 H TYR 32 HN TYR 32 46.064 3.491 2.825
224 HA TYR 32 HA TYR 32 48.291 5.242 3.112
225 HB2 TYR 32 HB2 TYR 32 47.023 4.560 5.061
226 HB3 TYR 32 HB1 TYR 32 47.500 2.881 4.814
227 HD1 TYR 32 HD1 TYR 32 48.848 6.290 5.508
228 HD2 TYR 32 HD2 TYR 32 49.576 2.054 5.661
229 HE1 TYR 32 HE1 TYR 32 50.919 6.693 6.818
230 HE2 TYR 32 HE2 TYR 32 51.640 2.468 6.971
231 HH TYR 32 HH TYR 32 52.551 4.248 8.471
232 H LEU 33 HN LEU 33 48.155 1.704 2.661
233 HA LEU 33 HA LEU 33 50.951 1.271 2.746
234 HB2 LEU 33 HB2 LEU 33 49.298 -0.546 2.951
235 HB3 LEU 33 HB1 LEU 33 48.853 -0.342 1.262
236 HG LEU 33 HG LEU 33 51.168 -0.914 0.593
237 HD11 LEU 33 HD11 LEU 33 52.642 -0.336 2.285
238 HD12 LEU 33 HD12 LEU 33 52.471 -2.060 2.604
239 HD13 LEU 33 HD13 LEU 33 51.564 -0.895 3.570
240 HD21 LEU 33 HD21 LEU 33 49.462 -2.692 0.807
241 HD22 LEU 33 HD22 LEU 33 49.912 -2.922 2.499
242 HD23 LEU 33 HD23 LEU 33 51.067 -3.292 1.219
243 H SER 34 HN SER 34 48.746 2.018 0.068
244 HA SER 34 HA SER 34 50.715 1.729 -1.985
245 HB2 SER 34 HB2 SER 34 49.127 2.930 -3.417
246 HB3 SER 34 HB1 SER 34 48.311 1.669 -2.498
247 HG SER 34 HG SER 34 47.266 3.752 -2.502
248 H GLY 35 HN GLY 35 49.692 4.418 0.076
249 HA2 GLY 35 HA2 GLY 35 51.040 6.471 -1.353
250 HA3 GLY 35 HA1 GLY 35 50.510 6.563 0.327
251 H LEU 36 HN LEU 36 52.009 4.293 1.298
252 HA LEU 36 HA LEU 36 54.441 5.549 1.922
253 HB2 LEU 36 HB2 LEU 36 53.447 3.847 3.372
254 HB3 LEU 36 HB1 LEU 36 53.685 2.627 2.131
255 HG LEU 36 HG LEU 36 56.128 2.927 2.279
256 HD11 LEU 36 HD11 LEU 36 55.295 5.183 4.068
257 HD12 LEU 36 HD12 LEU 36 56.589 5.121 2.870
258 HD13 LEU 36 HD13 LEU 36 56.797 4.333 4.434
259 HD21 LEU 36 HD21 LEU 36 54.674 2.493 4.901
260 HD22 LEU 36 HD22 LEU 36 56.390 2.150 4.680
261 HD23 LEU 36 HD23 LEU 36 55.186 1.263 3.747
262 H ARG 37 HN ARG 37 53.659 3.013 -0.466
263 HA ARG 37 HA ARG 37 56.333 2.556 -1.288
264 HB2 ARG 37 HB2 ARG 37 53.691 2.179 -2.697
265 HB3 ARG 37 HB1 ARG 37 55.231 1.695 -3.405
266 HG2 ARG 37 HG2 ARG 37 55.679 0.243 -1.463
267 HG3 ARG 37 HG1 ARG 37 54.154 0.748 -0.733
268 HD2 ARG 37 HD2 ARG 37 54.352 -0.580 -3.447
269 HD3 ARG 37 HD1 ARG 37 54.038 -1.458 -1.952
270 HE ARG 37 HE ARG 37 52.179 0.638 -2.122
271 HH11 ARG 37 HH21 ARG 37 53.067 -2.261 -3.790
272 HH12 ARG 37 HH22 ARG 37 51.461 -2.595 -4.346
273 HH21 ARG 37 HH11 ARG 37 50.067 0.198 -2.843
274 HH22 ARG 37 HH12 ARG 37 49.764 -1.207 -3.809
275 H SER 38 HN SER 38 53.857 4.835 -2.404
276 HA SER 38 HA SER 38 55.410 5.920 -4.545
277 HB2 SER 38 HB2 SER 38 53.047 7.139 -3.113
278 HB3 SER 38 HB1 SER 38 53.665 7.593 -4.701
279 HG SER 38 HG SER 38 52.102 6.176 -5.176
280 H TRP 39 HN TRP 39 54.899 6.723 -1.169
281 HA TRP 39 HA TRP 39 55.986 9.302 -1.118
282 HB2 TRP 39 HB2 TRP 39 55.823 7.125 0.955
283 HB3 TRP 39 HB1 TRP 39 56.490 8.712 1.311
284 HD1 TRP 39 HD1 TRP 39 53.751 9.064 -1.159
285 HE1 TRP 39 HE1 TRP 39 51.596 9.857 -0.009
286 HE3 TRP 39 HE3 TRP 39 55.030 8.327 3.734
287 HZ2 TRP 39 HZ2 TRP 39 50.547 10.160 2.634
288 HZ3 TRP 39 HZ3 TRP 39 53.432 8.880 5.545
289 HH2 TRP 39 HH2 TRP 39 51.192 9.794 5.000
290 H LYS 40 HN LYS 40 57.647 6.137 -0.948
291 HA LYS 40 HA LYS 40 60.137 7.118 -0.109
292 HB2 LYS 40 HB2 LYS 40 59.468 4.789 -1.923
293 HB3 LYS 40 HB1 LYS 40 61.080 5.109 -1.277
294 HG2 LYS 40 HG2 LYS 40 60.214 4.975 1.012
295 HG3 LYS 40 HG1 LYS 40 58.590 4.677 0.393
296 HD2 LYS 40 HD2 LYS 40 59.384 2.614 -0.711
297 HD3 LYS 40 HD1 LYS 40 61.008 2.909 -0.092
298 HE2 LYS 40 HE2 LYS 40 60.159 2.787 2.218
299 HE3 LYS 40 HE1 LYS 40 58.531 2.501 1.607
300 HZ1 LYS 40 HZ1 LYS 40 59.944 0.614 0.326
301 HZ2 LYS 40 HZ2 LYS 40 59.105 0.362 1.779
302 HZ3 LYS 40 HZ3 LYS 40 60.772 0.687 1.804
303 H ARG 41 HN ARG 41 58.755 6.914 -3.439
304 HA ARG 41 HA ARG 41 61.141 7.789 -4.680
305 HB2 ARG 41 HB2 ARG 41 58.259 7.936 -5.547
306 HB3 ARG 41 HB1 ARG 41 59.593 8.485 -6.562
307 HG2 ARG 41 HG2 ARG 41 60.637 6.226 -6.350
308 HG3 ARG 41 HG1 ARG 41 59.228 5.693 -5.433
309 HD2 ARG 41 HD2 ARG 41 59.109 6.810 -8.245
310 HD3 ARG 41 HD1 ARG 41 59.132 5.092 -7.868
311 HE ARG 41 HE ARG 41 56.894 6.914 -7.527
312 HH11 ARG 41 HH21 ARG 41 58.402 3.923 -6.669
313 HH12 ARG 41 HH22 ARG 41 56.920 3.135 -6.240
314 HH21 ARG 41 HH11 ARG 41 54.939 5.877 -6.988
315 HH22 ARG 41 HH12 ARG 41 54.961 4.242 -6.421
316 H HIS 42 HN HIS 42 58.419 9.447 -3.340
317 HA HIS 42 HA HIS 42 59.209 12.117 -4.113
318 HB2 HIS 42 HB2 HIS 42 57.166 11.076 -2.147
319 HB3 HIS 42 HB1 HIS 42 57.434 12.796 -2.443
320 HD2 HIS 42 HD2 HIS 42 56.406 13.753 -4.891
321 HE1 HIS 42 HE1 HIS 42 54.872 10.064 -6.249
322 HE2 HIS 42 HE2 HIS 42 54.960 12.558 -6.706
323 H LEU 43 HN LEU 43 59.585 10.105 -1.283
324 HA LEU 43 HA LEU 43 60.845 12.184 0.305
325 HB2 LEU 43 HB2 LEU 43 59.968 9.391 0.858
326 HB3 LEU 43 HB1 LEU 43 61.235 10.090 1.859
327 HG LEU 43 HG LEU 43 59.797 11.998 2.408
328 HD11 LEU 43 HD11 LEU 43 57.433 12.027 1.694
329 HD12 LEU 43 HD12 LEU 43 57.711 10.601 0.707
330 HD13 LEU 43 HD13 LEU 43 58.508 12.117 0.303
331 HD21 LEU 43 HD21 LEU 43 59.643 10.037 3.845
332 HD22 LEU 43 HD22 LEU 43 58.468 9.298 2.755
333 HD23 LEU 43 HD23 LEU 43 58.036 10.745 3.667
334 H SER 44 HN SER 44 61.926 10.183 -2.124
335 HA SER 44 HA SER 44 64.261 9.049 -1.223
336 HB2 SER 44 HB2 SER 44 63.863 10.434 -3.883
337 HB3 SER 44 HB1 SER 44 65.098 9.232 -3.521
338 HG SER 44 HG SER 44 63.428 8.116 -4.402
339 H ARG 45 HN ARG 45 63.852 12.480 -2.263
340 HA ARG 45 HA ARG 45 66.585 13.111 -2.075
341 HB2 ARG 45 HB2 ARG 45 64.889 14.598 -3.107
342 HB3 ARG 45 HB1 ARG 45 64.236 14.936 -1.504
343 HG2 ARG 45 HG2 ARG 45 66.424 15.854 -0.807
344 HG3 ARG 45 HG1 ARG 45 67.071 15.523 -2.417
345 HD2 ARG 45 HD2 ARG 45 64.671 17.291 -1.888
346 HD3 ARG 45 HD1 ARG 45 66.312 17.901 -2.093
347 HE ARG 45 HE ARG 45 65.694 16.269 -4.298
348 HH11 ARG 45 HH21 ARG 45 64.779 19.256 -2.817
349 HH12 ARG 45 HH22 ARG 45 64.296 20.005 -4.303
350 HH21 ARG 45 HH11 ARG 45 65.070 17.244 -6.252
351 HH22 ARG 45 HH12 ARG 45 64.459 18.864 -6.249
352 H PHE 46 HN PHE 46 64.008 13.428 0.361
353 HA PHE 46 HA PHE 46 65.616 14.404 2.450
354 HB2 PHE 46 HB2 PHE 46 63.168 14.525 2.479
355 HB3 PHE 46 HB1 PHE 46 63.075 12.770 2.596
356 HD1 PHE 46 HD2 PHE 46 64.551 15.748 4.307
357 HD2 PHE 46 HD1 PHE 46 63.108 11.722 4.706
358 HE1 PHE 46 HE2 PHE 46 64.799 15.904 6.772
359 HE2 PHE 46 HE1 PHE 46 63.353 11.881 7.170
360 HZ PHE 46 HZ PHE 46 64.198 13.965 8.201
361 H TRP 47 HN TRP 47 64.654 11.123 1.571
362 HA TRP 47 HA TRP 47 65.817 9.787 3.766
363 HB2 TRP 47 HB2 TRP 47 64.215 8.605 2.475
364 HB3 TRP 47 HB1 TRP 47 65.111 8.877 0.979
365 HD1 TRP 47 HD1 TRP 47 66.730 7.043 0.281
366 HE1 TRP 47 HE1 TRP 47 67.786 4.990 1.427
367 HE3 TRP 47 HE3 TRP 47 65.063 7.739 5.059
368 HZ2 TRP 47 HZ2 TRP 47 67.914 3.802 4.024
369 HZ3 TRP 47 HZ3 TRP 47 65.667 6.134 6.846
370 HH2 TRP 47 HH2 TRP 47 67.090 4.170 6.337
371 H ASN 48 HN ASN 48 67.106 10.610 0.571
372 HA ASN 48 HA ASN 48 69.533 9.188 0.782
373 HB2 ASN 48 HB2 ASN 48 68.684 11.600 -0.812
374 HB3 ASN 48 HB1 ASN 48 70.326 10.959 -0.905
375 HD21 ASN 48 HD21 ASN 48 68.572 10.919 -3.175
376 HD22 ASN 48 HD22 ASN 48 68.195 9.302 -3.526
377 H ASP 49 HN ASP 49 68.617 12.487 1.711
378 HA ASP 49 HA ASP 49 71.298 13.001 2.762
379 HB2 ASP 49 HB2 ASP 49 70.119 14.782 1.519
380 HB3 ASP 49 HB1 ASP 49 68.840 14.766 2.733
381 H PHE 50 HN PHE 50 71.736 12.188 4.712
382 HA PHE 50 HA PHE 50 69.601 11.853 6.682
383 HB2 PHE 50 HB2 PHE 50 72.502 10.995 6.651
384 HB3 PHE 50 HB1 PHE 50 71.400 10.699 7.995
385 HD1 PHE 50 HD1 PHE 50 69.377 9.272 7.671
386 HD2 PHE 50 HD2 PHE 50 72.374 9.707 4.623
387 HE1 PHE 50 HE1 PHE 50 68.502 7.254 6.521
388 HE2 PHE 50 HE2 PHE 50 71.495 7.698 3.470
389 HZ PHE 50 HZ PHE 50 69.558 6.469 4.417
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 42.588 -10.308 -14.268
2 H2 MET 1 HT2 MET 1 43.628 -9.191 -15.015
3 H3 MET 1 HT3 MET 1 44.264 -10.565 -14.243
4 HA MET 1 HA MET 1 42.565 -10.559 -16.679
5 HB2 MET 1 HB2 MET 1 45.510 -11.108 -16.214
6 HB3 MET 1 HB1 MET 1 44.666 -11.478 -17.717
7 HG2 MET 1 HG2 MET 1 44.021 -9.093 -17.928
8 HG3 MET 1 HG1 MET 1 44.918 -8.731 -16.455
9 HE1 MET 1 HE1 MET 1 48.523 -8.976 -17.228
10 HE2 MET 1 HE2 MET 1 47.698 -10.430 -16.675
11 HE3 MET 1 HE3 MET 1 47.201 -8.856 -16.059
12 H ALA 2 HN ALA 2 44.807 -12.972 -16.656
13 HA ALA 2 HA ALA 2 42.911 -15.050 -16.369
14 HB1 ALA 2 HB1 ALA 2 44.862 -16.556 -16.446
15 HB2 ALA 2 HB2 ALA 2 45.934 -15.173 -16.228
16 HB3 ALA 2 HB3 ALA 2 44.961 -15.312 -17.692
17 H GLU 3 HN GLU 3 45.262 -13.636 -14.145
18 HA GLU 3 HA GLU 3 44.971 -15.549 -12.072
19 HB2 GLU 3 HB2 GLU 3 45.849 -12.655 -12.027
20 HB3 GLU 3 HB1 GLU 3 45.924 -13.726 -10.626
21 HG2 GLU 3 HG2 GLU 3 47.393 -15.260 -11.836
22 HG3 GLU 3 HG1 GLU 3 47.267 -14.269 -13.289
23 H ALA 4 HN ALA 4 43.289 -12.540 -12.839
24 HA ALA 4 HA ALA 4 41.760 -12.396 -10.450
25 HB1 ALA 4 HB1 ALA 4 42.020 -10.434 -11.841
26 HB2 ALA 4 HB2 ALA 4 40.308 -10.854 -11.778
27 HB3 ALA 4 HB3 ALA 4 41.263 -11.253 -13.207
28 H HIS 5 HN HIS 5 39.691 -13.089 -9.987
29 HA HIS 5 HA HIS 5 38.846 -15.537 -11.142
30 HB2 HIS 5 HB2 HIS 5 37.429 -13.585 -9.317
31 HB3 HIS 5 HB1 HIS 5 36.798 -15.177 -9.736
32 HD2 HIS 5 HD2 HIS 5 39.177 -13.629 -7.172
33 HE1 HIS 5 HE1 HIS 5 40.003 -17.769 -7.169
34 HE2 HIS 5 HE2 HIS 5 40.405 -15.580 -5.946
35 H GLN 6 HN GLN 6 37.711 -12.198 -11.494
36 HA GLN 6 HA GLN 6 36.132 -11.278 -12.903
37 HB2 GLN 6 HB2 GLN 6 37.585 -13.203 -14.734
38 HB3 GLN 6 HB1 GLN 6 36.497 -11.931 -15.295
39 HG2 GLN 6 HG2 GLN 6 37.890 -10.224 -14.240
40 HG3 GLN 6 HG1 GLN 6 38.961 -11.468 -13.597
41 HE21 GLN 6 HE21 GLN 6 40.454 -9.895 -15.041
42 HE22 GLN 6 HE22 GLN 6 40.692 -10.425 -16.635
43 H ALA 7 HN ALA 7 35.425 -13.283 -15.290
44 HA ALA 7 HA ALA 7 32.810 -13.853 -14.394
45 HB1 ALA 7 HB1 ALA 7 34.417 -14.763 -16.771
46 HB2 ALA 7 HB2 ALA 7 33.109 -13.582 -16.719
47 HB3 ALA 7 HB3 ALA 7 32.758 -15.295 -16.501
48 H VAL 8 HN VAL 8 35.721 -15.897 -14.600
49 HA VAL 8 HA VAL 8 34.210 -18.009 -13.166
50 HB VAL 8 HB VAL 8 36.265 -18.269 -15.358
51 HG11 VAL 8 HG11 VAL 8 36.981 -19.941 -13.886
52 HG12 VAL 8 HG12 VAL 8 35.784 -20.801 -14.856
53 HG13 VAL 8 HG13 VAL 8 35.359 -20.212 -13.250
54 HG21 VAL 8 HG21 VAL 8 33.604 -19.661 -15.139
55 HG22 VAL 8 HG22 VAL 8 34.533 -19.265 -16.586
56 HG23 VAL 8 HG23 VAL 8 33.681 -17.994 -15.709
57 H GLY 9 HN GLY 9 35.037 -18.716 -11.313
58 HA2 GLY 9 HA2 GLY 9 37.776 -18.968 -10.709
59 HA3 GLY 9 HA1 GLY 9 37.191 -17.454 -10.028
60 H PHE 10 HN PHE 10 37.910 -18.745 -8.042
61 HA PHE 10 HA PHE 10 35.516 -19.994 -6.890
62 HB2 PHE 10 HB2 PHE 10 36.828 -21.821 -5.925
63 HB3 PHE 10 HB1 PHE 10 36.945 -21.847 -7.684
64 HD1 PHE 10 HD2 PHE 10 39.008 -21.203 -8.828
65 HD2 PHE 10 HD1 PHE 10 38.732 -21.143 -4.543
66 HE1 PHE 10 HE2 PHE 10 41.475 -21.017 -8.672
67 HE2 PHE 10 HE1 PHE 10 41.200 -20.957 -4.386
68 HZ PHE 10 HZ PHE 10 42.571 -20.894 -6.451
69 H ARG 11 HN ARG 11 35.424 -19.884 -4.597
70 HA ARG 11 HA ARG 11 37.483 -18.745 -2.998
71 HB2 ARG 11 HB2 ARG 11 36.684 -16.772 -4.434
72 HB3 ARG 11 HB1 ARG 11 35.198 -16.848 -3.488
73 HG2 ARG 11 HG2 ARG 11 36.500 -16.607 -1.407
74 HG3 ARG 11 HG1 ARG 11 37.991 -16.535 -2.348
75 HD2 ARG 11 HD2 ARG 11 36.762 -14.578 -3.606
76 HD3 ARG 11 HD1 ARG 11 35.783 -14.513 -2.143
77 HE ARG 11 HE ARG 11 38.301 -14.495 -1.153
78 HH11 ARG 11 HH21 ARG 11 36.713 -12.732 -3.671
79 HH12 ARG 11 HH22 ARG 11 37.670 -11.303 -3.463
80 HH21 ARG 11 HH11 ARG 11 39.561 -12.625 -0.876
81 HH22 ARG 11 HH12 ARG 11 39.282 -11.242 -1.881
82 HA PRO 12 HA PRO 12 34.126 -21.129 -0.811
83 HB2 PRO 12 HB2 PRO 12 36.464 -21.483 1.011
84 HB3 PRO 12 HB1 PRO 12 35.295 -22.685 0.428
85 HG2 PRO 12 HG2 PRO 12 37.771 -22.582 -0.535
86 HG3 PRO 12 HG1 PRO 12 36.388 -22.978 -1.571
87 HD2 PRO 12 HD2 PRO 12 37.960 -20.438 -1.419
88 HD3 PRO 12 HD1 PRO 12 37.161 -21.191 -2.816
89 H SER 13 HN SER 13 36.554 -18.871 0.446
90 HA SER 13 HA SER 13 35.141 -18.219 2.840
91 HB2 SER 13 HB2 SER 13 37.404 -16.928 1.330
92 HB3 SER 13 HB1 SER 13 36.695 -16.166 2.751
93 HG SER 13 HG SER 13 37.337 -17.854 3.982
94 H LEU 14 HN LEU 14 33.919 -16.375 3.319
95 HA LEU 14 HA LEU 14 32.534 -15.231 0.997
96 HB2 LEU 14 HB2 LEU 14 31.869 -15.531 3.907
97 HB3 LEU 14 HB1 LEU 14 31.022 -14.332 2.935
98 HG LEU 14 HG LEU 14 29.884 -16.591 3.058
99 HD11 LEU 14 HD11 LEU 14 30.415 -16.505 0.210
100 HD12 LEU 14 HD12 LEU 14 30.230 -14.873 0.849
101 HD13 LEU 14 HD13 LEU 14 28.949 -16.061 1.080
102 HD21 LEU 14 HD21 LEU 14 32.066 -17.516 1.186
103 HD22 LEU 14 HD22 LEU 14 30.831 -18.483 1.991
104 HD23 LEU 14 HD23 LEU 14 32.161 -17.796 2.925
105 H THR 15 HN THR 15 32.719 -13.167 0.412
106 HA THR 15 HA THR 15 34.671 -11.489 1.737
107 HB THR 15 HB THR 15 34.309 -9.969 -0.140
108 HG1 THR 15 HG1 THR 15 32.195 -10.069 -0.574
109 HG21 THR 15 HG21 THR 15 34.230 -12.454 -1.674
110 HG22 THR 15 HG22 THR 15 35.306 -12.555 -0.281
111 HG23 THR 15 HG23 THR 15 35.543 -11.292 -1.488
112 H SER 16 HN SER 16 34.127 -9.126 2.044
113 HA SER 16 HA SER 16 32.921 -7.451 3.051
114 HB2 SER 16 HB2 SER 16 30.842 -7.189 2.255
115 HB3 SER 16 HB1 SER 16 31.031 -8.742 1.453
116 HG SER 16 HG SER 16 29.432 -9.284 2.720
117 H ASP 17 HN ASP 17 33.349 -10.473 4.207
118 HA ASP 17 HA ASP 17 31.816 -10.119 6.677
119 HB2 ASP 17 HB2 ASP 17 33.563 -12.373 5.671
120 HB3 ASP 17 HB1 ASP 17 32.779 -12.365 7.250
121 H GLY 18 HN GLY 18 34.642 -8.990 5.487
122 HA2 GLY 18 HA2 GLY 18 36.485 -9.471 7.598
123 HA3 GLY 18 HA1 GLY 18 36.603 -8.193 6.393
124 H ALA 19 HN ALA 19 37.368 -7.761 9.006
125 HA ALA 19 HA ALA 19 35.337 -6.620 10.637
126 HB1 ALA 19 HB1 ALA 19 37.629 -7.402 11.391
127 HB2 ALA 19 HB2 ALA 19 37.118 -5.834 12.017
128 HB3 ALA 19 HB3 ALA 19 38.274 -5.920 10.687
129 H GLU 20 HN GLU 20 34.817 -4.471 11.015
130 HA GLU 20 HA GLU 20 34.328 -2.307 10.465
131 HB2 GLU 20 HB2 GLU 20 37.121 -2.459 9.314
132 HB3 GLU 20 HB1 GLU 20 36.181 -0.973 9.421
133 HG2 GLU 20 HG2 GLU 20 36.017 -1.207 11.845
134 HG3 GLU 20 HG1 GLU 20 36.864 -2.751 11.777
135 H VAL 21 HN VAL 21 33.329 -4.305 8.740
136 HA VAL 21 HA VAL 21 33.732 -3.725 5.997
137 HB VAL 21 HB VAL 21 32.661 -5.803 6.820
138 HG11 VAL 21 HG11 VAL 21 30.523 -5.819 7.806
139 HG12 VAL 21 HG12 VAL 21 30.156 -4.184 7.256
140 HG13 VAL 21 HG13 VAL 21 31.304 -4.435 8.571
141 HG21 VAL 21 HG21 VAL 21 30.937 -5.908 5.095
142 HG22 VAL 21 HG22 VAL 21 32.295 -4.960 4.488
143 HG23 VAL 21 HG23 VAL 21 30.832 -4.149 5.049
144 H GLU 22 HN GLU 22 31.641 -2.365 8.464
145 HA GLU 22 HA GLU 22 29.931 -0.882 6.760
146 HB2 GLU 22 HB2 GLU 22 30.742 -0.470 9.642
147 HB3 GLU 22 HB1 GLU 22 29.496 0.479 8.829
148 HG2 GLU 22 HG2 GLU 22 28.209 -1.547 8.366
149 HG3 GLU 22 HG1 GLU 22 29.475 -2.541 9.087
150 H LEU 23 HN LEU 23 33.069 -0.196 8.209
151 HA LEU 23 HA LEU 23 33.072 2.455 6.921
152 HB2 LEU 23 HB2 LEU 23 33.573 2.331 9.375
153 HB3 LEU 23 HB1 LEU 23 34.987 1.354 8.993
154 HG LEU 23 HG LEU 23 35.865 3.201 7.583
155 HD11 LEU 23 HD11 LEU 23 34.153 4.537 6.829
156 HD12 LEU 23 HD12 LEU 23 34.609 5.477 8.251
157 HD13 LEU 23 HD13 LEU 23 33.228 4.382 8.324
158 HD21 LEU 23 HD21 LEU 23 36.864 3.404 9.638
159 HD22 LEU 23 HD22 LEU 23 35.325 3.455 10.498
160 HD23 LEU 23 HD23 LEU 23 35.928 4.897 9.680
161 H SER 24 HN SER 24 34.213 2.751 5.132
162 HA SER 24 HA SER 24 35.519 0.728 3.732
163 HB2 SER 24 HB2 SER 24 36.328 2.490 2.256
164 HB3 SER 24 HB1 SER 24 34.659 2.803 2.715
165 HG SER 24 HG SER 24 36.973 4.180 3.317
166 H ALA 25 HN ALA 25 36.653 1.107 6.536
167 HA ALA 25 HA ALA 25 39.153 2.210 6.583
168 HB1 ALA 25 HB1 ALA 25 37.679 0.364 8.174
169 HB2 ALA 25 HB2 ALA 25 39.069 1.344 8.639
170 HB3 ALA 25 HB3 ALA 25 39.311 -0.271 7.972
171 HA PRO 26 HA PRO 26 40.955 -2.078 4.958
172 HB2 PRO 26 HB2 PRO 26 38.757 -2.642 3.016
173 HB3 PRO 26 HB1 PRO 26 39.734 -3.773 3.973
174 HG2 PRO 26 HG2 PRO 26 37.214 -3.234 4.620
175 HG3 PRO 26 HG1 PRO 26 38.452 -3.493 5.859
176 HD2 PRO 26 HD2 PRO 26 37.179 -0.940 4.977
177 HD3 PRO 26 HD1 PRO 26 37.775 -1.405 6.583
178 H VAL 27 HN VAL 27 38.890 -0.039 2.899
179 HA VAL 27 HA VAL 27 40.645 -0.013 0.644
180 HB VAL 27 HB VAL 27 38.465 1.887 1.533
181 HG11 VAL 27 HG11 VAL 27 40.358 1.930 -0.780
182 HG12 VAL 27 HG12 VAL 27 39.633 3.273 0.102
183 HG13 VAL 27 HG13 VAL 27 38.680 2.383 -1.086
184 HG21 VAL 27 HG21 VAL 27 38.016 -0.579 0.809
185 HG22 VAL 27 HG22 VAL 27 38.416 -0.012 -0.811
186 HG23 VAL 27 HG23 VAL 27 37.059 0.699 0.063
187 H LEU 28 HN LEU 28 40.142 2.086 3.434
188 HA LEU 28 HA LEU 28 41.973 4.114 2.727
189 HB2 LEU 28 HB2 LEU 28 40.999 3.140 5.416
190 HB3 LEU 28 HB1 LEU 28 42.016 4.567 5.220
191 HG LEU 28 HG LEU 28 39.356 4.175 3.806
192 HD11 LEU 28 HD11 LEU 28 39.104 6.249 5.649
193 HD12 LEU 28 HD12 LEU 28 39.983 5.002 6.530
194 HD13 LEU 28 HD13 LEU 28 38.418 4.632 5.806
195 HD21 LEU 28 HD21 LEU 28 41.500 6.189 3.692
196 HD22 LEU 28 HD22 LEU 28 39.909 6.883 3.999
197 HD23 LEU 28 HD23 LEU 28 40.177 5.893 2.567
198 H GLN 29 HN GLN 29 42.403 1.096 4.556
199 HA GLN 29 HA GLN 29 45.097 1.535 5.307
200 HB2 GLN 29 HB2 GLN 29 43.571 -1.050 4.866
201 HB3 GLN 29 HB1 GLN 29 45.176 -0.958 5.593
202 HG2 GLN 29 HG2 GLN 29 42.713 0.454 6.663
203 HG3 GLN 29 HG1 GLN 29 43.360 -1.054 7.298
204 HE21 GLN 29 HE21 GLN 29 43.293 2.118 8.071
205 HE22 GLN 29 HE22 GLN 29 44.809 2.276 8.817
206 H GLU 30 HN GLU 30 43.646 0.001 2.440
207 HA GLU 30 HA GLU 30 46.122 -0.831 1.301
208 HB2 GLU 30 HB2 GLU 30 43.446 -0.240 0.041
209 HB3 GLU 30 HB1 GLU 30 44.819 -0.923 -0.833
210 HG2 GLU 30 HG2 GLU 30 44.885 -2.831 0.674
211 HG3 GLU 30 HG1 GLU 30 43.589 -2.148 1.651
212 H ILE 31 HN ILE 31 44.189 2.153 1.008
213 HA ILE 31 HA ILE 31 45.769 3.351 -1.028
214 HB ILE 31 HB ILE 31 44.016 4.578 1.116
215 HG12 ILE 31 HG12 ILE 31 43.581 4.295 -1.872
216 HG13 ILE 31 HG11 ILE 31 43.008 3.099 -0.713
217 HG21 ILE 31 HG21 ILE 31 44.165 6.562 -0.542
218 HG22 ILE 31 HG22 ILE 31 45.624 5.767 -1.140
219 HG23 ILE 31 HG23 ILE 31 45.530 6.290 0.543
220 HD11 ILE 31 HD11 ILE 31 42.290 6.040 -0.705
221 HD12 ILE 31 HD12 ILE 31 41.711 4.838 0.448
222 HD13 ILE 31 HD13 ILE 31 41.238 4.733 -1.247
223 H TYR 32 HN TYR 32 45.898 3.467 2.533
224 HA TYR 32 HA TYR 32 48.024 5.316 2.804
225 HB2 TYR 32 HB2 TYR 32 46.660 4.699 4.715
226 HB3 TYR 32 HB1 TYR 32 47.237 3.028 4.601
227 HD1 TYR 32 HD2 TYR 32 48.395 6.555 5.059
228 HD2 TYR 32 HD1 TYR 32 49.260 2.376 5.592
229 HE1 TYR 32 HE2 TYR 32 50.386 7.133 6.412
230 HE2 TYR 32 HE1 TYR 32 51.255 2.967 6.946
231 HH TYR 32 HH TYR 32 51.737 5.400 8.462
232 H LEU 33 HN LEU 33 47.958 1.743 2.604
233 HA LEU 33 HA LEU 33 50.825 1.422 2.838
234 HB2 LEU 33 HB2 LEU 33 48.728 -0.367 1.571
235 HB3 LEU 33 HB1 LEU 33 50.427 -0.805 1.711
236 HG LEU 33 HG LEU 33 48.699 -0.013 4.074
237 HD11 LEU 33 HD11 LEU 33 49.490 -2.722 2.970
238 HD12 LEU 33 HD12 LEU 33 47.857 -2.068 3.100
239 HD13 LEU 33 HD13 LEU 33 48.758 -2.478 4.559
240 HD21 LEU 33 HD21 LEU 33 50.843 0.248 4.915
241 HD22 LEU 33 HD22 LEU 33 51.566 -0.802 3.698
242 HD23 LEU 33 HD23 LEU 33 50.729 -1.503 5.079
243 H SER 34 HN SER 34 48.713 1.897 0.049
244 HA SER 34 HA SER 34 50.709 1.513 -1.942
245 HB2 SER 34 HB2 SER 34 48.097 2.987 -1.939
246 HB3 SER 34 HB1 SER 34 49.089 2.788 -3.383
247 HG SER 34 HG SER 34 47.380 1.139 -2.852
248 H GLY 35 HN GLY 35 49.520 4.319 -0.180
249 HA2 GLY 35 HA2 GLY 35 50.896 6.304 -1.640
250 HA3 GLY 35 HA1 GLY 35 50.290 6.469 0.009
251 H LEU 36 HN LEU 36 51.815 4.333 1.175
252 HA LEU 36 HA LEU 36 54.179 5.710 1.841
253 HB2 LEU 36 HB2 LEU 36 53.159 4.029 3.323
254 HB3 LEU 36 HB1 LEU 36 53.520 2.763 2.153
255 HG LEU 36 HG LEU 36 55.930 3.163 2.424
256 HD11 LEU 36 HD11 LEU 36 56.254 5.414 2.907
257 HD12 LEU 36 HD12 LEU 36 56.463 4.698 4.505
258 HD13 LEU 36 HD13 LEU 36 54.933 5.462 4.074
259 HD21 LEU 36 HD21 LEU 36 54.647 2.995 5.162
260 HD22 LEU 36 HD22 LEU 36 56.171 2.275 4.641
261 HD23 LEU 36 HD23 LEU 36 54.645 1.657 4.013
262 H ARG 37 HN ARG 37 53.580 3.009 -0.413
263 HA ARG 37 HA ARG 37 56.285 2.577 -1.114
264 HB2 ARG 37 HB2 ARG 37 53.710 2.072 -2.610
265 HB3 ARG 37 HB1 ARG 37 55.292 1.582 -3.216
266 HG2 ARG 37 HG2 ARG 37 55.673 0.239 -1.197
267 HG3 ARG 37 HG1 ARG 37 54.112 0.749 -0.550
268 HD2 ARG 37 HD2 ARG 37 52.971 -0.297 -2.471
269 HD3 ARG 37 HD1 ARG 37 54.526 -0.800 -3.127
270 HE ARG 37 HE ARG 37 54.100 -1.735 -0.438
271 HH11 ARG 37 HH21 ARG 37 53.445 -2.261 -3.794
272 HH12 ARG 37 HH22 ARG 37 53.200 -3.967 -3.621
273 HH21 ARG 37 HH11 ARG 37 53.785 -3.970 -0.201
274 HH22 ARG 37 HH12 ARG 37 53.392 -4.936 -1.585
275 H SER 38 HN SER 38 53.798 4.721 -2.433
276 HA SER 38 HA SER 38 55.385 5.724 -4.598
277 HB2 SER 38 HB2 SER 38 52.927 5.810 -4.614
278 HB3 SER 38 HB1 SER 38 52.953 6.905 -3.237
279 HG SER 38 HG SER 38 52.822 8.120 -5.103
280 H TRP 39 HN TRP 39 54.767 6.713 -1.267
281 HA TRP 39 HA TRP 39 55.861 9.289 -1.328
282 HB2 TRP 39 HB2 TRP 39 55.637 7.251 0.880
283 HB3 TRP 39 HB1 TRP 39 56.289 8.863 1.144
284 HD1 TRP 39 HD1 TRP 39 53.614 8.949 -1.430
285 HE1 TRP 39 HE1 TRP 39 51.437 9.868 -0.418
286 HE3 TRP 39 HE3 TRP 39 54.790 8.753 3.540
287 HZ2 TRP 39 HZ2 TRP 39 50.331 10.449 2.148
288 HZ3 TRP 39 HZ3 TRP 39 53.151 9.494 5.244
289 HH2 TRP 39 HH2 TRP 39 50.924 10.341 4.555
290 H LYS 40 HN LYS 40 57.486 6.152 -1.050
291 HA LYS 40 HA LYS 40 59.955 7.063 -0.107
292 HB2 LYS 40 HB2 LYS 40 59.296 4.787 -1.977
293 HB3 LYS 40 HB1 LYS 40 60.893 5.050 -1.281
294 HG2 LYS 40 HG2 LYS 40 59.945 4.890 0.984
295 HG3 LYS 40 HG1 LYS 40 58.337 4.643 0.299
296 HD2 LYS 40 HD2 LYS 40 59.124 2.590 -0.818
297 HD3 LYS 40 HD1 LYS 40 60.732 2.833 -0.135
298 HE2 LYS 40 HE2 LYS 40 59.794 2.677 2.142
299 HE3 LYS 40 HE1 LYS 40 58.183 2.439 1.464
300 HZ1 LYS 40 HZ1 LYS 40 58.975 0.304 1.909
301 HZ2 LYS 40 HZ2 LYS 40 60.526 0.642 1.305
302 HZ3 LYS 40 HZ3 LYS 40 59.211 0.491 0.240
303 H ARG 41 HN ARG 41 58.699 6.959 -3.489
304 HA ARG 41 HA ARG 41 61.136 7.723 -4.682
305 HB2 ARG 41 HB2 ARG 41 59.161 6.901 -5.942
306 HB3 ARG 41 HB1 ARG 41 58.326 8.413 -5.583
307 HG2 ARG 41 HG2 ARG 41 60.079 9.679 -6.758
308 HG3 ARG 41 HG1 ARG 41 60.947 8.181 -7.092
309 HD2 ARG 41 HD2 ARG 41 59.649 8.790 -9.055
310 HD3 ARG 41 HD1 ARG 41 58.948 7.347 -8.331
311 HE ARG 41 HE ARG 41 57.679 9.656 -7.279
312 HH11 ARG 41 HH21 ARG 41 57.981 7.752 -10.154
313 HH12 ARG 41 HH22 ARG 41 56.400 8.144 -10.745
314 HH21 ARG 41 HH11 ARG 41 55.609 10.177 -8.048
315 HH22 ARG 41 HH12 ARG 41 55.056 9.518 -9.551
316 H HIS 42 HN HIS 42 58.456 9.535 -3.443
317 HA HIS 42 HA HIS 42 59.461 12.172 -3.985
318 HB2 HIS 42 HB2 HIS 42 57.276 11.202 -2.136
319 HB3 HIS 42 HB1 HIS 42 57.620 12.901 -2.460
320 HD2 HIS 42 HD2 HIS 42 55.601 10.039 -4.017
321 HE1 HIS 42 HE1 HIS 42 55.953 12.993 -7.012
322 HE2 HIS 42 HE2 HIS 42 54.766 10.846 -6.356
323 H LEU 43 HN LEU 43 59.632 9.972 -1.291
324 HA LEU 43 HA LEU 43 60.771 11.875 0.566
325 HB2 LEU 43 HB2 LEU 43 59.274 9.815 1.123
326 HB3 LEU 43 HB1 LEU 43 60.769 8.903 0.966
327 HG LEU 43 HG LEU 43 61.826 10.435 2.648
328 HD11 LEU 43 HD11 LEU 43 59.239 11.781 2.335
329 HD12 LEU 43 HD12 LEU 43 60.748 12.392 3.009
330 HD13 LEU 43 HD13 LEU 43 59.646 11.458 4.019
331 HD21 LEU 43 HD21 LEU 43 59.337 8.903 3.438
332 HD22 LEU 43 HD22 LEU 43 60.531 9.497 4.594
333 HD23 LEU 43 HD23 LEU 43 60.992 8.294 3.388
334 H SER 44 HN SER 44 62.000 10.137 -2.015
335 HA SER 44 HA SER 44 64.374 9.047 -1.089
336 HB2 SER 44 HB2 SER 44 63.775 8.565 -3.310
337 HB3 SER 44 HB1 SER 44 63.627 10.269 -3.731
338 HG SER 44 HG SER 44 65.746 10.423 -3.904
339 H ARG 45 HN ARG 45 63.859 12.456 -2.189
340 HA ARG 45 HA ARG 45 66.566 13.179 -1.977
341 HB2 ARG 45 HB2 ARG 45 64.037 14.800 -1.655
342 HB3 ARG 45 HB1 ARG 45 65.649 15.522 -1.631
343 HG2 ARG 45 HG2 ARG 45 66.106 14.608 -3.865
344 HG3 ARG 45 HG1 ARG 45 64.517 13.841 -3.891
345 HD2 ARG 45 HD2 ARG 45 63.445 16.056 -3.713
346 HD3 ARG 45 HD1 ARG 45 65.029 16.823 -3.684
347 HE ARG 45 HE ARG 45 63.721 15.612 -6.006
348 HH11 ARG 45 HH21 ARG 45 66.569 16.967 -4.564
349 HH12 ARG 45 HH22 ARG 45 67.310 17.356 -6.079
350 HH21 ARG 45 HH11 ARG 45 64.698 16.123 -7.989
351 HH22 ARG 45 HH12 ARG 45 66.256 16.877 -8.013
352 H PHE 46 HN PHE 46 63.958 13.489 0.430
353 HA PHE 46 HA PHE 46 65.603 14.524 2.501
354 HB2 PHE 46 HB2 PHE 46 62.935 13.105 2.558
355 HB3 PHE 46 HB1 PHE 46 63.695 13.808 3.985
356 HD1 PHE 46 HD2 PHE 46 64.067 16.256 4.137
357 HD2 PHE 46 HD1 PHE 46 61.964 14.489 0.835
358 HE1 PHE 46 HE2 PHE 46 63.186 18.486 3.505
359 HE2 PHE 46 HE1 PHE 46 61.083 16.718 0.204
360 HZ PHE 46 HZ PHE 46 61.693 18.717 1.538
361 H TRP 47 HN TRP 47 64.598 11.258 1.627
362 HA TRP 47 HA TRP 47 65.609 9.925 3.898
363 HB2 TRP 47 HB2 TRP 47 64.025 8.877 2.352
364 HB3 TRP 47 HB1 TRP 47 65.245 8.898 1.078
365 HD1 TRP 47 HD1 TRP 47 64.396 7.208 4.395
366 HE1 TRP 47 HE1 TRP 47 65.825 5.074 4.628
367 HE3 TRP 47 HE3 TRP 47 67.453 7.748 0.342
368 HZ2 TRP 47 HZ2 TRP 47 67.981 3.770 3.273
369 HZ3 TRP 47 HZ3 TRP 47 69.183 6.048 -0.165
370 HH2 TRP 47 HH2 TRP 47 69.449 4.061 1.294
371 H ASN 48 HN ASN 48 67.088 10.690 0.766
372 HA ASN 48 HA ASN 48 69.497 9.267 1.166
373 HB2 ASN 48 HB2 ASN 48 68.798 10.078 -1.041
374 HB3 ASN 48 HB1 ASN 48 68.978 11.745 -0.495
375 HD21 ASN 48 HD21 ASN 48 70.689 12.147 -2.087
376 HD22 ASN 48 HD22 ASN 48 72.242 11.492 -1.883
377 H ASP 49 HN ASP 49 68.530 12.590 1.922
378 HA ASP 49 HA ASP 49 71.053 13.525 2.774
379 HB2 ASP 49 HB2 ASP 49 68.237 14.353 3.475
380 HB3 ASP 49 HB1 ASP 49 69.657 15.192 4.095
381 H PHE 50 HN PHE 50 68.405 11.939 4.518
382 HA PHE 50 HA PHE 50 69.324 12.177 7.125
383 HB2 PHE 50 HB2 PHE 50 67.141 11.222 6.593
384 HB3 PHE 50 HB1 PHE 50 67.913 9.828 5.836
385 HD1 PHE 50 HD2 PHE 50 67.745 11.698 9.076
386 HD2 PHE 50 HD1 PHE 50 68.462 7.941 7.121
387 HE1 PHE 50 HE2 PHE 50 67.892 10.577 11.284
388 HE2 PHE 50 HE1 PHE 50 68.607 6.820 9.328
389 HZ PHE 50 HZ PHE 50 68.322 8.137 11.409
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 43.363 -11.215 21.351
2 H2 MET 1 HT2 MET 1 42.222 -9.961 21.449
3 H3 MET 1 HT3 MET 1 42.717 -10.772 22.856
4 HA MET 1 HA MET 1 43.961 -8.877 23.022
5 HB2 MET 1 HB2 MET 1 45.552 -10.845 21.353
6 HB3 MET 1 HB1 MET 1 46.269 -9.455 22.170
7 HG2 MET 1 HG2 MET 1 45.489 -10.285 24.337
8 HG3 MET 1 HG1 MET 1 44.681 -11.638 23.548
9 HE1 MET 1 HE1 MET 1 47.756 -9.762 24.346
10 HE2 MET 1 HE2 MET 1 48.435 -10.120 22.761
11 HE3 MET 1 HE3 MET 1 49.122 -10.875 24.194
12 H ALA 2 HN ALA 2 43.240 -7.054 22.030
13 HA ALA 2 HA ALA 2 43.101 -6.688 19.215
14 HB1 ALA 2 HB1 ALA 2 42.935 -4.214 19.919
15 HB2 ALA 2 HB2 ALA 2 42.977 -4.821 21.574
16 HB3 ALA 2 HB3 ALA 2 41.677 -5.310 20.490
17 H GLU 3 HN GLU 3 44.482 -5.678 17.797
18 HA GLU 3 HA GLU 3 47.263 -5.782 18.356
19 HB2 GLU 3 HB2 GLU 3 45.714 -4.505 16.093
20 HB3 GLU 3 HB1 GLU 3 47.473 -4.610 16.141
21 HG2 GLU 3 HG2 GLU 3 47.359 -7.049 16.258
22 HG3 GLU 3 HG1 GLU 3 45.598 -6.986 16.310
23 H ALA 4 HN ALA 4 44.928 -3.122 18.187
24 HA ALA 4 HA ALA 4 46.622 -1.499 19.889
25 HB1 ALA 4 HB1 ALA 4 46.679 -1.161 17.028
26 HB2 ALA 4 HB2 ALA 4 47.590 -0.295 18.266
27 HB3 ALA 4 HB3 ALA 4 45.989 0.273 17.789
28 H HIS 5 HN HIS 5 45.518 0.274 20.806
29 HA HIS 5 HA HIS 5 42.726 -0.100 21.162
30 HB2 HIS 5 HB2 HIS 5 44.608 2.137 21.919
31 HB3 HIS 5 HB1 HIS 5 42.894 2.152 22.335
32 HD2 HIS 5 HD2 HIS 5 42.201 0.508 24.493
33 HE1 HIS 5 HE1 HIS 5 45.988 -1.279 25.029
34 HE2 HIS 5 HE2 HIS 5 43.653 -1.051 26.002
35 H GLN 6 HN GLN 6 44.640 2.179 19.251
36 HA GLN 6 HA GLN 6 42.493 3.812 18.399
37 HB2 GLN 6 HB2 GLN 6 45.191 3.242 17.160
38 HB3 GLN 6 HB1 GLN 6 44.072 4.466 16.558
39 HG2 GLN 6 HG2 GLN 6 44.112 5.609 18.724
40 HG3 GLN 6 HG1 GLN 6 45.170 4.362 19.382
41 HE21 GLN 6 HE21 GLN 6 46.437 6.622 19.669
42 HE22 GLN 6 HE22 GLN 6 47.528 6.975 18.417
43 H ALA 7 HN ALA 7 43.941 0.878 17.038
44 HA ALA 7 HA ALA 7 42.564 0.904 14.577
45 HB1 ALA 7 HB1 ALA 7 44.055 -1.100 16.177
46 HB2 ALA 7 HB2 ALA 7 44.236 -0.643 14.482
47 HB3 ALA 7 HB3 ALA 7 42.936 -1.732 14.969
48 H VAL 8 HN VAL 8 41.701 -0.463 17.738
49 HA VAL 8 HA VAL 8 38.940 -0.788 16.739
50 HB VAL 8 HB VAL 8 39.789 -3.017 16.749
51 HG11 VAL 8 HG11 VAL 8 40.839 -2.402 19.529
52 HG12 VAL 8 HG12 VAL 8 41.822 -2.582 18.074
53 HG13 VAL 8 HG13 VAL 8 40.939 -3.966 18.718
54 HG21 VAL 8 HG21 VAL 8 38.242 -4.024 18.183
55 HG22 VAL 8 HG22 VAL 8 37.595 -2.388 18.064
56 HG23 VAL 8 HG23 VAL 8 38.536 -2.864 19.478
57 H GLY 9 HN GLY 9 37.366 -0.121 18.103
58 HA2 GLY 9 HA2 GLY 9 37.631 0.089 20.920
59 HA3 GLY 9 HA1 GLY 9 37.910 1.660 20.176
60 H PHE 10 HN PHE 10 35.897 1.968 21.635
61 HA PHE 10 HA PHE 10 33.392 0.975 20.640
62 HB2 PHE 10 HB2 PHE 10 34.132 3.116 22.637
63 HB3 PHE 10 HB1 PHE 10 32.460 2.744 22.217
64 HD1 PHE 10 HD2 PHE 10 31.486 0.533 22.729
65 HD2 PHE 10 HD1 PHE 10 35.477 1.571 23.931
66 HE1 PHE 10 HE2 PHE 10 31.515 -1.392 24.291
67 HE2 PHE 10 HE1 PHE 10 35.506 -0.354 25.495
68 HZ PHE 10 HZ PHE 10 33.525 -1.836 25.674
69 H ARG 11 HN ARG 11 31.875 2.004 19.391
70 HA ARG 11 HA ARG 11 32.399 4.710 18.410
71 HB2 ARG 11 HB2 ARG 11 32.175 2.312 16.579
72 HB3 ARG 11 HB1 ARG 11 32.186 3.996 16.053
73 HG2 ARG 11 HG2 ARG 11 34.415 4.202 17.322
74 HG3 ARG 11 HG1 ARG 11 34.415 2.438 17.368
75 HD2 ARG 11 HD2 ARG 11 34.900 4.259 15.101
76 HD3 ARG 11 HD1 ARG 11 35.451 2.605 15.354
77 HE ARG 11 HE ARG 11 32.810 2.271 14.841
78 HH11 ARG 11 HH21 ARG 11 35.343 4.062 13.308
79 HH12 ARG 11 HH22 ARG 11 34.673 3.913 11.717
80 HH21 ARG 11 HH11 ARG 11 31.926 2.072 12.758
81 HH22 ARG 11 HH12 ARG 11 32.739 2.786 11.406
82 HA PRO 12 HA PRO 12 27.913 3.476 18.973
83 HB2 PRO 12 HB2 PRO 12 27.226 5.295 20.852
84 HB3 PRO 12 HB1 PRO 12 28.011 3.755 21.269
85 HG2 PRO 12 HG2 PRO 12 29.223 6.467 20.960
86 HG3 PRO 12 HG1 PRO 12 29.472 5.268 22.243
87 HD2 PRO 12 HD2 PRO 12 31.222 5.569 20.177
88 HD3 PRO 12 HD1 PRO 12 30.938 3.996 20.957
89 H SER 13 HN SER 13 26.032 4.645 18.310
90 HA SER 13 HA SER 13 26.458 6.471 16.212
91 HB2 SER 13 HB2 SER 13 24.000 6.724 16.216
92 HB3 SER 13 HB1 SER 13 24.489 5.033 16.302
93 HG SER 13 HG SER 13 22.823 5.966 17.857
94 H LEU 14 HN LEU 14 25.693 6.969 19.621
95 HA LEU 14 HA LEU 14 24.915 9.670 19.461
96 HB2 LEU 14 HB2 LEU 14 24.551 8.312 21.470
97 HB3 LEU 14 HB1 LEU 14 26.289 8.190 21.723
98 HG LEU 14 HG LEU 14 26.439 10.620 22.049
99 HD11 LEU 14 HD11 LEU 14 23.564 10.474 21.210
100 HD12 LEU 14 HD12 LEU 14 24.805 11.637 20.744
101 HD13 LEU 14 HD13 LEU 14 24.059 11.737 22.338
102 HD21 LEU 14 HD21 LEU 14 25.292 8.790 23.789
103 HD22 LEU 14 HD22 LEU 14 24.156 10.139 23.820
104 HD23 LEU 14 HD23 LEU 14 25.852 10.405 24.222
105 H THR 15 HN THR 15 28.119 8.190 19.943
106 HA THR 15 HA THR 15 29.540 10.618 20.262
107 HB THR 15 HB THR 15 30.481 7.941 19.206
108 HG1 THR 15 HG1 THR 15 31.421 8.347 21.548
109 HG21 THR 15 HG21 THR 15 31.821 10.541 19.619
110 HG22 THR 15 HG22 THR 15 32.293 9.179 18.604
111 HG23 THR 15 HG23 THR 15 32.648 9.155 20.332
112 H SER 16 HN SER 16 28.850 8.615 17.426
113 HA SER 16 HA SER 16 30.204 10.382 15.602
114 HB2 SER 16 HB2 SER 16 29.366 8.915 13.871
115 HB3 SER 16 HB1 SER 16 29.935 7.928 15.216
116 HG SER 16 HG SER 16 27.668 7.672 14.159
117 H ASP 17 HN ASP 17 29.075 11.393 13.756
118 HA ASP 17 HA ASP 17 26.721 12.847 14.709
119 HB2 ASP 17 HB2 ASP 17 27.133 14.274 12.706
120 HB3 ASP 17 HB1 ASP 17 28.520 14.189 13.791
121 H GLY 18 HN GLY 18 27.202 10.019 13.174
122 HA2 GLY 18 HA2 GLY 18 25.592 8.651 12.176
123 HA3 GLY 18 HA1 GLY 18 24.556 10.060 11.967
124 H ALA 19 HN ALA 19 27.705 10.686 10.955
125 HA ALA 19 HA ALA 19 26.952 10.998 8.229
126 HB1 ALA 19 HB1 ALA 19 29.633 11.040 9.623
127 HB2 ALA 19 HB2 ALA 19 28.671 12.421 9.096
128 HB3 ALA 19 HB3 ALA 19 29.434 11.372 7.901
129 H GLU 20 HN GLU 20 27.459 9.783 6.431
130 HA GLU 20 HA GLU 20 28.425 7.034 6.961
131 HB2 GLU 20 HB2 GLU 20 26.055 7.164 6.244
132 HB3 GLU 20 HB1 GLU 20 26.563 7.987 4.770
133 HG2 GLU 20 HG2 GLU 20 27.914 6.038 4.124
134 HG3 GLU 20 HG1 GLU 20 27.464 5.217 5.618
135 H VAL 21 HN VAL 21 30.137 6.303 5.831
136 HA VAL 21 HA VAL 21 31.133 7.950 3.585
137 HB VAL 21 HB VAL 21 32.560 8.491 5.416
138 HG11 VAL 21 HG11 VAL 21 31.860 6.641 6.902
139 HG12 VAL 21 HG12 VAL 21 33.618 6.752 6.811
140 HG13 VAL 21 HG13 VAL 21 32.764 5.502 5.905
141 HG21 VAL 21 HG21 VAL 21 33.576 7.678 3.164
142 HG22 VAL 21 HG22 VAL 21 34.045 6.237 4.068
143 HG23 VAL 21 HG23 VAL 21 34.652 7.820 4.554
144 H GLU 22 HN GLU 22 31.745 6.868 1.814
145 HA GLU 22 HA GLU 22 31.082 4.125 1.503
146 HB2 GLU 22 HB2 GLU 22 32.670 6.025 -0.236
147 HB3 GLU 22 HB1 GLU 22 32.221 4.389 -0.723
148 HG2 GLU 22 HG2 GLU 22 29.850 4.925 -0.462
149 HG3 GLU 22 HG1 GLU 22 30.257 6.538 0.123
150 H LEU 23 HN LEU 23 34.094 5.838 2.121
151 HA LEU 23 HA LEU 23 35.812 3.596 1.685
152 HB2 LEU 23 HB2 LEU 23 36.244 6.153 3.250
153 HB3 LEU 23 HB1 LEU 23 37.511 5.002 2.832
154 HG LEU 23 HG LEU 23 35.755 6.457 0.827
155 HD11 LEU 23 HD11 LEU 23 38.396 7.066 2.067
156 HD12 LEU 23 HD12 LEU 23 37.142 8.165 1.495
157 HD13 LEU 23 HD13 LEU 23 38.223 7.383 0.342
158 HD21 LEU 23 HD21 LEU 23 37.925 5.590 -0.550
159 HD22 LEU 23 HD22 LEU 23 36.434 4.656 -0.421
160 HD23 LEU 23 HD23 LEU 23 37.793 4.299 0.642
161 H SER 24 HN SER 24 36.815 2.257 3.184
162 HA SER 24 HA SER 24 35.839 2.335 5.958
163 HB2 SER 24 HB2 SER 24 35.474 -0.134 5.860
164 HB3 SER 24 HB1 SER 24 34.364 0.775 4.844
165 HG SER 24 HG SER 24 36.512 0.291 3.401
166 H ALA 25 HN ALA 25 37.095 0.717 7.324
167 HA ALA 25 HA ALA 25 39.735 1.385 7.413
168 HB1 ALA 25 HB1 ALA 25 39.617 -1.243 8.441
169 HB2 ALA 25 HB2 ALA 25 38.048 -0.496 8.751
170 HB3 ALA 25 HB3 ALA 25 39.524 0.278 9.328
171 HA PRO 26 HA PRO 26 41.042 -2.769 5.165
172 HB2 PRO 26 HB2 PRO 26 38.729 -2.957 3.288
173 HB3 PRO 26 HB1 PRO 26 39.650 -4.252 4.078
174 HG2 PRO 26 HG2 PRO 26 37.205 -3.606 4.892
175 HG3 PRO 26 HG1 PRO 26 38.470 -4.080 6.041
176 HD2 PRO 26 HD2 PRO 26 37.379 -1.356 5.461
177 HD3 PRO 26 HD1 PRO 26 37.959 -2.036 6.994
178 H VAL 27 HN VAL 27 39.005 -0.428 3.415
179 HA VAL 27 HA VAL 27 40.659 -0.243 1.098
180 HB VAL 27 HB VAL 27 38.604 1.652 2.262
181 HG11 VAL 27 HG11 VAL 27 38.735 2.377 -0.304
182 HG12 VAL 27 HG12 VAL 27 40.397 1.814 -0.124
183 HG13 VAL 27 HG13 VAL 27 39.787 3.106 0.910
184 HG21 VAL 27 HG21 VAL 27 38.223 0.186 -0.298
185 HG22 VAL 27 HG22 VAL 27 37.058 0.540 0.978
186 HG23 VAL 27 HG23 VAL 27 38.195 -0.794 1.168
187 H LEU 28 HN LEU 28 40.390 1.581 4.103
188 HA LEU 28 HA LEU 28 42.236 3.620 3.488
189 HB2 LEU 28 HB2 LEU 28 41.391 2.424 6.128
190 HB3 LEU 28 HB1 LEU 28 42.448 3.826 6.006
191 HG LEU 28 HG LEU 28 39.702 3.660 4.727
192 HD11 LEU 28 HD11 LEU 28 39.330 5.450 6.662
193 HD12 LEU 28 HD12 LEU 28 40.597 4.507 7.449
194 HD13 LEU 28 HD13 LEU 28 39.096 3.725 6.952
195 HD21 LEU 28 HD21 LEU 28 40.701 5.386 3.577
196 HD22 LEU 28 HD22 LEU 28 41.864 5.718 4.860
197 HD23 LEU 28 HD23 LEU 28 40.203 6.287 5.007
198 H GLN 29 HN GLN 29 42.702 0.425 4.967
199 HA GLN 29 HA GLN 29 45.438 0.742 5.605
200 HB2 GLN 29 HB2 GLN 29 44.048 -1.088 6.499
201 HB3 GLN 29 HB1 GLN 29 43.939 -1.789 4.885
202 HG2 GLN 29 HG2 GLN 29 46.337 -2.148 4.815
203 HG3 GLN 29 HG1 GLN 29 46.549 -1.285 6.338
204 HE21 GLN 29 HE21 GLN 29 47.430 -3.984 6.056
205 HE22 GLN 29 HE22 GLN 29 46.456 -4.971 7.035
206 H GLU 30 HN GLU 30 43.796 -0.422 2.672
207 HA GLU 30 HA GLU 30 46.172 -1.165 1.282
208 HB2 GLU 30 HB2 GLU 30 43.426 -0.377 0.268
209 HB3 GLU 30 HB1 GLU 30 44.711 -1.024 -0.751
210 HG2 GLU 30 HG2 GLU 30 43.572 -2.440 1.676
211 HG3 GLU 30 HG1 GLU 30 43.100 -2.781 0.015
212 H ILE 31 HN ILE 31 44.268 1.852 1.442
213 HA ILE 31 HA ILE 31 45.758 3.267 -0.530
214 HB ILE 31 HB ILE 31 44.162 4.241 1.855
215 HG12 ILE 31 HG12 ILE 31 43.516 4.312 -1.107
216 HG13 ILE 31 HG11 ILE 31 43.007 3.000 -0.048
217 HG21 ILE 31 HG21 ILE 31 45.855 5.649 -0.124
218 HG22 ILE 31 HG22 ILE 31 45.340 6.162 1.482
219 HG23 ILE 31 HG23 ILE 31 44.245 6.329 0.109
220 HD11 ILE 31 HD11 ILE 31 42.357 5.921 0.410
221 HD12 ILE 31 HD12 ILE 31 41.770 4.553 1.356
222 HD13 ILE 31 HD13 ILE 31 41.255 4.753 -0.320
223 H TYR 32 HN TYR 32 46.081 3.006 3.020
224 HA TYR 32 HA TYR 32 48.230 4.799 3.274
225 HB2 TYR 32 HB2 TYR 32 47.021 4.002 5.237
226 HB3 TYR 32 HB1 TYR 32 47.559 2.349 4.932
227 HD1 TYR 32 HD2 TYR 32 48.802 5.798 5.687
228 HD2 TYR 32 HD1 TYR 32 49.651 1.584 5.717
229 HE1 TYR 32 HE2 TYR 32 50.879 6.231 6.979
230 HE2 TYR 32 HE1 TYR 32 51.718 2.022 7.011
231 HH TYR 32 HH TYR 32 52.343 4.925 8.567
232 H LEU 33 HN LEU 33 48.203 1.261 2.752
233 HA LEU 33 HA LEU 33 50.987 0.865 2.847
234 HB2 LEU 33 HB2 LEU 33 49.309 -0.933 2.870
235 HB3 LEU 33 HB1 LEU 33 48.911 -0.588 1.189
236 HG LEU 33 HG LEU 33 51.256 -1.179 0.522
237 HD11 LEU 33 HD11 LEU 33 52.654 -0.760 2.290
238 HD12 LEU 33 HD12 LEU 33 52.444 -2.500 2.480
239 HD13 LEU 33 HD13 LEU 33 51.516 -1.384 3.484
240 HD21 LEU 33 HD21 LEU 33 51.126 -3.650 1.183
241 HD22 LEU 33 HD22 LEU 33 49.687 -2.998 0.397
242 HD23 LEU 33 HD23 LEU 33 49.709 -3.221 2.144
243 H SER 34 HN SER 34 48.714 1.450 0.135
244 HA SER 34 HA SER 34 50.771 1.519 -1.963
245 HB2 SER 34 HB2 SER 34 48.045 2.828 -1.900
246 HB3 SER 34 HB1 SER 34 49.069 2.819 -3.333
247 HG SER 34 HG SER 34 48.648 0.747 -3.602
248 H GLY 35 HN GLY 35 49.526 4.051 0.212
249 HA2 GLY 35 HA2 GLY 35 50.731 6.268 -1.061
250 HA3 GLY 35 HA1 GLY 35 50.306 6.187 0.646
251 H LEU 36 HN LEU 36 51.979 3.969 1.353
252 HA LEU 36 HA LEU 36 54.390 5.306 1.940
253 HB2 LEU 36 HB2 LEU 36 53.668 2.372 1.988
254 HB3 LEU 36 HB1 LEU 36 55.202 2.994 2.589
255 HG LEU 36 HG LEU 36 52.488 3.949 3.555
256 HD11 LEU 36 HD11 LEU 36 52.410 1.953 4.622
257 HD12 LEU 36 HD12 LEU 36 53.699 2.597 5.640
258 HD13 LEU 36 HD13 LEU 36 54.094 1.592 4.246
259 HD21 LEU 36 HD21 LEU 36 54.383 4.421 5.518
260 HD22 LEU 36 HD22 LEU 36 53.776 5.626 4.384
261 HD23 LEU 36 HD23 LEU 36 55.275 4.768 4.038
262 H ARG 37 HN ARG 37 53.545 2.987 -0.601
263 HA ARG 37 HA ARG 37 56.165 2.640 -1.623
264 HB2 ARG 37 HB2 ARG 37 54.266 1.150 -2.180
265 HB3 ARG 37 HB1 ARG 37 53.526 2.456 -3.104
266 HG2 ARG 37 HG2 ARG 37 55.513 2.535 -4.578
267 HG3 ARG 37 HG1 ARG 37 56.243 1.221 -3.656
268 HD2 ARG 37 HD2 ARG 37 54.272 -0.206 -4.223
269 HD3 ARG 37 HD1 ARG 37 53.662 1.097 -5.239
270 HE ARG 37 HE ARG 37 55.357 0.629 -6.799
271 HH11 ARG 37 HH21 ARG 37 55.721 -1.191 -3.871
272 HH12 ARG 37 HH22 ARG 37 56.882 -2.286 -4.539
273 HH21 ARG 37 HH11 ARG 37 56.883 -0.805 -7.672
274 HH22 ARG 37 HH12 ARG 37 57.541 -2.069 -6.687
275 H SER 38 HN SER 38 53.566 4.930 -2.415
276 HA SER 38 HA SER 38 54.992 6.239 -4.531
277 HB2 SER 38 HB2 SER 38 53.199 7.934 -4.341
278 HB3 SER 38 HB1 SER 38 52.553 6.300 -4.442
279 HG SER 38 HG SER 38 53.125 7.373 -1.923
280 H TRP 39 HN TRP 39 54.664 6.718 -1.065
281 HA TRP 39 HA TRP 39 55.690 9.325 -0.872
282 HB2 TRP 39 HB2 TRP 39 55.692 7.020 1.068
283 HB3 TRP 39 HB1 TRP 39 56.302 8.615 1.480
284 HD1 TRP 39 HD1 TRP 39 53.451 8.988 -0.844
285 HE1 TRP 39 HE1 TRP 39 51.320 9.631 0.445
286 HE3 TRP 39 HE3 TRP 39 54.970 8.010 3.939
287 HZ2 TRP 39 HZ2 TRP 39 50.376 9.727 3.142
288 HZ3 TRP 39 HZ3 TRP 39 53.435 8.390 5.844
289 HH2 TRP 39 HH2 TRP 39 51.141 9.246 5.454
290 H LYS 40 HN LYS 40 57.365 6.203 -1.096
291 HA LYS 40 HA LYS 40 59.908 7.059 -0.304
292 HB2 LYS 40 HB2 LYS 40 59.284 4.692 -0.792
293 HB3 LYS 40 HB1 LYS 40 59.265 5.087 -2.510
294 HG2 LYS 40 HG2 LYS 40 61.628 5.744 -2.410
295 HG3 LYS 40 HG1 LYS 40 61.660 5.408 -0.679
296 HD2 LYS 40 HD2 LYS 40 61.100 3.044 -1.126
297 HD3 LYS 40 HD1 LYS 40 61.089 3.377 -2.858
298 HE2 LYS 40 HE2 LYS 40 63.454 4.053 -2.754
299 HE3 LYS 40 HE1 LYS 40 63.472 3.744 -1.018
300 HZ1 LYS 40 HZ1 LYS 40 62.850 1.424 -1.515
301 HZ2 LYS 40 HZ2 LYS 40 64.361 1.856 -2.163
302 HZ3 LYS 40 HZ3 LYS 40 62.997 1.758 -3.171
303 H ARG 41 HN ARG 41 58.306 7.259 -3.523
304 HA ARG 41 HA ARG 41 60.534 8.301 -4.886
305 HB2 ARG 41 HB2 ARG 41 58.487 7.449 -5.990
306 HB3 ARG 41 HB1 ARG 41 57.599 8.849 -5.393
307 HG2 ARG 41 HG2 ARG 41 59.164 10.342 -6.624
308 HG3 ARG 41 HG1 ARG 41 59.991 8.919 -7.259
309 HD2 ARG 41 HD2 ARG 41 57.047 9.512 -7.663
310 HD3 ARG 41 HD1 ARG 41 58.305 9.868 -8.843
311 HE ARG 41 HE ARG 41 57.233 7.246 -8.187
312 HH11 ARG 41 HH21 ARG 41 59.795 9.111 -9.579
313 HH12 ARG 41 HH22 ARG 41 60.367 7.826 -10.590
314 HH21 ARG 41 HH11 ARG 41 57.978 5.557 -9.509
315 HH22 ARG 41 HH12 ARG 41 59.338 5.814 -10.550
316 H HIS 42 HN HIS 42 57.932 9.803 -3.158
317 HA HIS 42 HA HIS 42 58.711 12.545 -3.600
318 HB2 HIS 42 HB2 HIS 42 56.787 11.253 -1.665
319 HB3 HIS 42 HB1 HIS 42 57.045 12.996 -1.748
320 HD2 HIS 42 HD2 HIS 42 55.883 14.261 -3.985
321 HE1 HIS 42 HE1 HIS 42 54.224 10.779 -5.702
322 HE2 HIS 42 HE2 HIS 42 54.307 13.313 -5.838
323 H LEU 43 HN LEU 43 59.276 10.175 -1.106
324 HA LEU 43 HA LEU 43 60.588 12.021 0.699
325 HB2 LEU 43 HB2 LEU 43 60.169 9.040 0.835
326 HB3 LEU 43 HB1 LEU 43 61.030 9.959 2.060
327 HG LEU 43 HG LEU 43 58.177 10.519 1.190
328 HD11 LEU 43 HD11 LEU 43 58.457 8.316 2.336
329 HD12 LEU 43 HD12 LEU 43 57.508 9.461 3.285
330 HD13 LEU 43 HD13 LEU 43 59.192 9.156 3.701
331 HD21 LEU 43 HD21 LEU 43 58.406 11.634 3.624
332 HD22 LEU 43 HD22 LEU 43 58.813 12.516 2.155
333 HD23 LEU 43 HD23 LEU 43 60.089 11.774 3.118
334 H SER 44 HN SER 44 61.556 10.450 -2.081
335 HA SER 44 HA SER 44 63.972 9.274 -1.513
336 HB2 SER 44 HB2 SER 44 64.647 9.879 -3.813
337 HB3 SER 44 HB1 SER 44 63.000 9.260 -3.742
338 HG SER 44 HG SER 44 62.686 11.765 -3.363
339 H ARG 45 HN ARG 45 63.428 12.808 -2.004
340 HA ARG 45 HA ARG 45 66.150 13.505 -1.916
341 HB2 ARG 45 HB2 ARG 45 64.329 15.060 -2.572
342 HB3 ARG 45 HB1 ARG 45 63.804 15.125 -0.891
343 HG2 ARG 45 HG2 ARG 45 66.019 16.010 -0.234
344 HG3 ARG 45 HG1 ARG 45 66.534 15.956 -1.920
345 HD2 ARG 45 HD2 ARG 45 64.147 17.534 -0.927
346 HD3 ARG 45 HD1 ARG 45 65.749 18.223 -1.172
347 HE ARG 45 HE ARG 45 64.989 16.929 -3.548
348 HH11 ARG 45 HH21 ARG 45 64.078 19.600 -1.545
349 HH12 ARG 45 HH22 ARG 45 63.449 20.545 -2.853
350 HH21 ARG 45 HH11 ARG 45 64.166 18.162 -5.267
351 HH22 ARG 45 HH12 ARG 45 63.499 19.730 -4.960
352 H PHE 46 HN PHE 46 63.754 13.443 0.723
353 HA PHE 46 HA PHE 46 65.533 14.085 2.812
354 HB2 PHE 46 HB2 PHE 46 63.092 14.230 3.047
355 HB3 PHE 46 HB1 PHE 46 62.971 12.476 2.909
356 HD1 PHE 46 HD1 PHE 46 64.602 15.168 4.935
357 HD2 PHE 46 HD2 PHE 46 63.174 11.118 4.816
358 HE1 PHE 46 HE1 PHE 46 65.037 14.942 7.366
359 HE2 PHE 46 HE2 PHE 46 63.608 10.893 7.247
360 HZ PHE 46 HZ PHE 46 64.540 12.805 8.523
361 H TRP 47 HN TRP 47 64.432 10.996 1.518
362 HA TRP 47 HA TRP 47 65.739 9.326 3.382
363 HB2 TRP 47 HB2 TRP 47 63.911 8.589 1.872
364 HB3 TRP 47 HB1 TRP 47 65.025 8.701 0.509
365 HD1 TRP 47 HD1 TRP 47 64.382 6.705 3.706
366 HE1 TRP 47 HE1 TRP 47 65.691 4.487 3.577
367 HE3 TRP 47 HE3 TRP 47 67.055 7.507 -0.566
368 HZ2 TRP 47 HZ2 TRP 47 67.617 3.221 1.884
369 HZ3 TRP 47 HZ3 TRP 47 68.618 5.782 -1.417
370 HH2 TRP 47 HH2 TRP 47 68.902 3.641 -0.198
371 H ASN 48 HN ASN 48 66.769 10.640 0.254
372 HA ASN 48 HA ASN 48 69.188 9.198 0.030
373 HB2 ASN 48 HB2 ASN 48 68.241 11.834 -1.083
374 HB3 ASN 48 HB1 ASN 48 69.863 11.225 -1.408
375 HD21 ASN 48 HD21 ASN 48 67.920 11.548 -3.501
376 HD22 ASN 48 HD22 ASN 48 67.514 10.007 -4.085
377 H ASP 49 HN ASP 49 68.394 12.302 1.542
378 HA ASP 49 HA ASP 49 71.029 13.072 2.201
379 HB2 ASP 49 HB2 ASP 49 69.123 14.625 2.271
380 HB3 ASP 49 HB1 ASP 49 68.436 13.725 3.622
381 H PHE 50 HN PHE 50 68.604 11.166 3.945
382 HA PHE 50 HA PHE 50 70.745 10.074 5.629
383 HB2 PHE 50 HB2 PHE 50 69.826 11.905 6.957
384 HB3 PHE 50 HB1 PHE 50 68.193 11.286 6.716
385 HD1 PHE 50 HD2 PHE 50 71.549 10.294 8.045
386 HD2 PHE 50 HD1 PHE 50 67.296 9.707 8.205
387 HE1 PHE 50 HE2 PHE 50 71.830 8.788 9.995
388 HE2 PHE 50 HE1 PHE 50 67.578 8.201 10.157
389 HZ PHE 50 HZ PHE 50 69.844 7.742 11.051
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 51.597 -21.185 5.945
2 H2 MET 1 HT2 MET 1 52.324 -20.539 4.553
3 H3 MET 1 HT3 MET 1 52.904 -21.990 5.222
4 HA MET 1 HA MET 1 51.359 -23.228 4.217
5 HB2 MET 1 HB2 MET 1 49.465 -20.921 4.757
6 HB3 MET 1 HB1 MET 1 48.988 -22.452 4.019
7 HG2 MET 1 HG2 MET 1 49.811 -23.655 6.040
8 HG3 MET 1 HG1 MET 1 50.206 -22.104 6.776
9 HE1 MET 1 HE1 MET 1 47.695 -20.118 6.133
10 HE2 MET 1 HE2 MET 1 48.782 -20.401 7.493
11 HE3 MET 1 HE3 MET 1 47.038 -20.457 7.738
12 H ALA 2 HN ALA 2 51.167 -23.545 2.041
13 HA ALA 2 HA ALA 2 52.173 -21.595 0.253
14 HB1 ALA 2 HB1 ALA 2 52.446 -23.869 -0.378
15 HB2 ALA 2 HB2 ALA 2 51.267 -23.208 -1.512
16 HB3 ALA 2 HB3 ALA 2 50.730 -24.214 -0.165
17 H GLU 3 HN GLU 3 48.901 -22.615 1.131
18 HA GLU 3 HA GLU 3 46.830 -21.761 0.606
19 HB2 GLU 3 HB2 GLU 3 47.781 -19.896 1.900
20 HB3 GLU 3 HB1 GLU 3 48.419 -19.195 0.415
21 HG2 GLU 3 HG2 GLU 3 46.138 -18.989 -0.485
22 HG3 GLU 3 HG1 GLU 3 45.483 -19.734 0.972
23 H ALA 4 HN ALA 4 46.817 -22.962 -1.404
24 HA ALA 4 HA ALA 4 46.478 -21.173 -3.671
25 HB1 ALA 4 HB1 ALA 4 48.774 -22.965 -3.409
26 HB2 ALA 4 HB2 ALA 4 48.520 -21.600 -4.495
27 HB3 ALA 4 HB3 ALA 4 47.869 -23.186 -4.906
28 H HIS 5 HN HIS 5 45.279 -22.083 -5.383
29 HA HIS 5 HA HIS 5 43.740 -24.497 -4.625
30 HB2 HIS 5 HB2 HIS 5 42.939 -22.111 -6.319
31 HB3 HIS 5 HB1 HIS 5 41.942 -23.542 -6.069
32 HD2 HIS 5 HD2 HIS 5 42.718 -20.214 -4.290
33 HE1 HIS 5 HE1 HIS 5 40.676 -22.625 -1.488
34 HE2 HIS 5 HE2 HIS 5 41.505 -20.275 -1.974
35 H GLN 6 HN GLN 6 43.607 -26.180 -6.050
36 HA GLN 6 HA GLN 6 45.520 -26.397 -8.129
37 HB2 GLN 6 HB2 GLN 6 43.106 -28.080 -7.450
38 HB3 GLN 6 HB1 GLN 6 44.270 -28.502 -8.705
39 HG2 GLN 6 HG2 GLN 6 46.079 -28.503 -7.052
40 HG3 GLN 6 HG1 GLN 6 44.941 -28.024 -5.793
41 HE21 GLN 6 HE21 GLN 6 46.473 -30.723 -7.015
42 HE22 GLN 6 HE22 GLN 6 45.339 -31.903 -6.565
43 H ALA 7 HN ALA 7 42.073 -25.636 -8.108
44 HA ALA 7 HA ALA 7 42.299 -24.879 -10.957
45 HB1 ALA 7 HB1 ALA 7 41.000 -27.015 -10.642
46 HB2 ALA 7 HB2 ALA 7 40.091 -25.708 -11.405
47 HB3 ALA 7 HB3 ALA 7 39.830 -26.090 -9.702
48 H VAL 8 HN VAL 8 40.873 -23.189 -11.630
49 HA VAL 8 HA VAL 8 39.772 -21.543 -9.435
50 HB VAL 8 HB VAL 8 40.607 -19.523 -10.615
51 HG11 VAL 8 HG11 VAL 8 41.887 -20.453 -8.759
52 HG12 VAL 8 HG12 VAL 8 42.998 -19.867 -9.998
53 HG13 VAL 8 HG13 VAL 8 42.680 -21.595 -9.846
54 HG21 VAL 8 HG21 VAL 8 41.543 -19.645 -12.676
55 HG22 VAL 8 HG22 VAL 8 41.027 -21.328 -12.730
56 HG23 VAL 8 HG23 VAL 8 42.644 -20.924 -12.166
57 H GLY 9 HN GLY 9 38.192 -19.921 -10.199
58 HA2 GLY 9 HA2 GLY 9 37.083 -20.019 -12.800
59 HA3 GLY 9 HA1 GLY 9 36.150 -21.052 -11.724
60 H PHE 10 HN PHE 10 34.384 -19.507 -12.204
61 HA PHE 10 HA PHE 10 34.647 -16.955 -10.749
62 HB2 PHE 10 HB2 PHE 10 32.706 -17.880 -12.875
63 HB3 PHE 10 HB1 PHE 10 32.468 -16.404 -11.939
64 HD1 PHE 10 HD2 PHE 10 34.032 -14.514 -12.147
65 HD2 PHE 10 HD1 PHE 10 34.471 -18.058 -14.523
66 HE1 PHE 10 HE2 PHE 10 35.597 -13.304 -13.644
67 HE2 PHE 10 HE1 PHE 10 36.030 -16.844 -16.031
68 HZ PHE 10 HZ PHE 10 36.589 -14.469 -15.594
69 H ARG 11 HN ARG 11 33.922 -16.969 -8.750
70 HA ARG 11 HA ARG 11 31.309 -17.896 -8.055
71 HB2 ARG 11 HB2 ARG 11 32.548 -20.062 -8.108
72 HB3 ARG 11 HB1 ARG 11 33.630 -19.421 -6.869
73 HG2 ARG 11 HG2 ARG 11 31.798 -19.143 -5.311
74 HG3 ARG 11 HG1 ARG 11 30.624 -19.572 -6.553
75 HD2 ARG 11 HD2 ARG 11 32.814 -21.462 -5.686
76 HD3 ARG 11 HD1 ARG 11 31.238 -21.417 -4.898
77 HE ARG 11 HE ARG 11 30.859 -21.619 -7.687
78 HH11 ARG 11 HH21 ARG 11 31.989 -23.424 -4.944
79 HH12 ARG 11 HH22 ARG 11 31.604 -24.966 -5.636
80 HH21 ARG 11 HH11 ARG 11 30.344 -23.620 -8.588
81 HH22 ARG 11 HH12 ARG 11 30.680 -25.078 -7.714
82 HA PRO 12 HA PRO 12 33.120 -14.517 -5.436
83 HB2 PRO 12 HB2 PRO 12 30.272 -13.702 -5.309
84 HB3 PRO 12 HB1 PRO 12 31.702 -12.743 -5.739
85 HG2 PRO 12 HG2 PRO 12 29.928 -13.505 -7.586
86 HG3 PRO 12 HG1 PRO 12 31.662 -13.415 -7.933
87 HD2 PRO 12 HD2 PRO 12 29.981 -15.845 -7.397
88 HD3 PRO 12 HD1 PRO 12 31.311 -15.621 -8.558
89 H SER 13 HN SER 13 33.074 -14.316 -3.188
90 HA SER 13 HA SER 13 30.969 -15.578 -1.649
91 HB2 SER 13 HB2 SER 13 32.600 -17.021 -0.388
92 HB3 SER 13 HB1 SER 13 32.315 -17.534 -2.050
93 HG SER 13 HG SER 13 34.332 -17.115 -2.491
94 H LEU 14 HN LEU 14 31.315 -15.225 0.721
95 HA LEU 14 HA LEU 14 32.067 -12.546 1.221
96 HB2 LEU 14 HB2 LEU 14 31.407 -14.894 2.991
97 HB3 LEU 14 HB1 LEU 14 32.010 -13.398 3.696
98 HG LEU 14 HG LEU 14 29.483 -13.585 3.571
99 HD11 LEU 14 HD11 LEU 14 29.777 -11.270 1.902
100 HD12 LEU 14 HD12 LEU 14 31.165 -11.372 2.985
101 HD13 LEU 14 HD13 LEU 14 29.534 -11.348 3.645
102 HD21 LEU 14 HD21 LEU 14 29.630 -14.692 1.268
103 HD22 LEU 14 HD22 LEU 14 29.881 -13.071 0.626
104 HD23 LEU 14 HD23 LEU 14 28.383 -13.463 1.468
105 H THR 15 HN THR 15 33.684 -15.625 1.740
106 HA THR 15 HA THR 15 35.877 -16.181 2.092
107 HB THR 15 HB THR 15 36.876 -13.475 1.410
108 HG1 THR 15 HG1 THR 15 34.847 -14.077 0.161
109 HG21 THR 15 HG21 THR 15 37.439 -16.085 0.028
110 HG22 THR 15 HG22 THR 15 38.140 -15.759 1.613
111 HG23 THR 15 HG23 THR 15 38.511 -14.704 0.247
112 H SER 16 HN SER 16 35.476 -12.763 3.079
113 HA SER 16 HA SER 16 37.259 -13.060 5.299
114 HB2 SER 16 HB2 SER 16 35.369 -10.892 4.417
115 HB3 SER 16 HB1 SER 16 36.216 -10.798 5.959
116 HG SER 16 HG SER 16 37.607 -9.877 4.575
117 H ASP 17 HN ASP 17 36.759 -13.098 7.499
118 HA ASP 17 HA ASP 17 34.238 -14.435 8.113
119 HB2 ASP 17 HB2 ASP 17 35.276 -14.771 10.350
120 HB3 ASP 17 HB1 ASP 17 36.272 -15.398 9.037
121 H GLY 18 HN GLY 18 35.110 -11.348 7.772
122 HA2 GLY 18 HA2 GLY 18 33.253 -9.776 8.435
123 HA3 GLY 18 HA1 GLY 18 33.511 -10.383 10.069
124 H ALA 19 HN ALA 19 33.720 -7.741 9.819
125 HA ALA 19 HA ALA 19 36.601 -7.290 10.160
126 HB1 ALA 19 HB1 ALA 19 34.793 -5.816 8.277
127 HB2 ALA 19 HB2 ALA 19 36.406 -6.466 7.986
128 HB3 ALA 19 HB3 ALA 19 36.204 -5.021 8.978
129 H GLU 20 HN GLU 20 37.137 -5.627 11.582
130 HA GLU 20 HA GLU 20 35.258 -5.156 13.658
131 HB2 GLU 20 HB2 GLU 20 37.711 -5.197 14.014
132 HB3 GLU 20 HB1 GLU 20 37.851 -3.698 13.094
133 HG2 GLU 20 HG2 GLU 20 36.400 -2.550 14.729
134 HG3 GLU 20 HG1 GLU 20 36.229 -4.055 15.632
135 H VAL 21 HN VAL 21 36.395 -3.159 10.931
136 HA VAL 21 HA VAL 21 34.228 -1.224 11.550
137 HB VAL 21 HB VAL 21 37.015 -0.729 10.493
138 HG11 VAL 21 HG11 VAL 21 36.100 1.710 10.474
139 HG12 VAL 21 HG12 VAL 21 34.515 0.941 10.389
140 HG13 VAL 21 HG13 VAL 21 35.704 0.650 9.121
141 HG21 VAL 21 HG21 VAL 21 37.158 0.791 12.413
142 HG22 VAL 21 HG22 VAL 21 36.720 -0.827 12.962
143 HG23 VAL 21 HG23 VAL 21 35.485 0.428 12.847
144 H GLU 22 HN GLU 22 32.789 -0.909 9.995
145 HA GLU 22 HA GLU 22 33.302 -2.097 7.344
146 HB2 GLU 22 HB2 GLU 22 30.738 -1.350 8.772
147 HB3 GLU 22 HB1 GLU 22 30.813 -1.959 7.117
148 HG2 GLU 22 HG2 GLU 22 31.905 -4.015 7.901
149 HG3 GLU 22 HG1 GLU 22 31.874 -3.418 9.560
150 H LEU 23 HN LEU 23 33.684 0.780 8.769
151 HA LEU 23 HA LEU 23 32.215 2.621 7.224
152 HB2 LEU 23 HB2 LEU 23 34.856 2.839 8.667
153 HB3 LEU 23 HB1 LEU 23 34.084 4.217 7.888
154 HG LEU 23 HG LEU 23 32.713 2.478 9.970
155 HD11 LEU 23 HD11 LEU 23 34.079 3.495 11.446
156 HD12 LEU 23 HD12 LEU 23 33.168 4.966 11.099
157 HD13 LEU 23 HD13 LEU 23 34.672 4.634 10.238
158 HD21 LEU 23 HD21 LEU 23 31.517 4.936 10.030
159 HD22 LEU 23 HD22 LEU 23 30.923 3.585 9.068
160 HD23 LEU 23 HD23 LEU 23 31.930 4.822 8.320
161 H SER 24 HN SER 24 35.423 1.207 6.745
162 HA SER 24 HA SER 24 35.553 0.855 4.100
163 HB2 SER 24 HB2 SER 24 36.755 3.126 3.416
164 HB3 SER 24 HB1 SER 24 35.012 2.934 3.283
165 HG SER 24 HG SER 24 35.898 3.710 5.767
166 H ALA 25 HN ALA 25 36.804 0.605 6.866
167 HA ALA 25 HA ALA 25 39.434 1.367 6.952
168 HB1 ALA 25 HB1 ALA 25 39.298 0.182 8.835
169 HB2 ALA 25 HB2 ALA 25 39.375 -1.302 7.888
170 HB3 ALA 25 HB3 ALA 25 37.810 -0.586 8.274
171 HA PRO 26 HA PRO 26 40.669 -2.763 4.579
172 HB2 PRO 26 HB2 PRO 26 38.392 -2.871 2.682
173 HB3 PRO 26 HB1 PRO 26 39.251 -4.188 3.497
174 HG2 PRO 26 HG2 PRO 26 36.786 -3.398 4.215
175 HG3 PRO 26 HG1 PRO 26 37.958 -4.070 5.358
176 HD2 PRO 26 HD2 PRO 26 37.033 -1.261 5.058
177 HD3 PRO 26 HD1 PRO 26 37.683 -2.094 6.484
178 H VAL 27 HN VAL 27 38.644 -0.418 2.731
179 HA VAL 27 HA VAL 27 40.527 -0.342 0.568
180 HB VAL 27 HB VAL 27 39.204 1.629 -0.227
181 HG11 VAL 27 HG11 VAL 27 37.680 -0.873 0.556
182 HG12 VAL 27 HG12 VAL 27 38.621 -0.642 -0.918
183 HG13 VAL 27 HG13 VAL 27 37.151 0.296 -0.652
184 HG21 VAL 27 HG21 VAL 27 37.168 2.234 0.940
185 HG22 VAL 27 HG22 VAL 27 38.511 2.385 2.072
186 HG23 VAL 27 HG23 VAL 27 37.440 0.986 2.156
187 H LEU 28 HN LEU 28 39.925 1.623 3.415
188 HA LEU 28 HA LEU 28 41.650 3.761 2.757
189 HB2 LEU 28 HB2 LEU 28 40.768 2.668 5.438
190 HB3 LEU 28 HB1 LEU 28 41.735 4.128 5.261
191 HG LEU 28 HG LEU 28 39.064 3.730 3.883
192 HD11 LEU 28 HD11 LEU 28 38.260 5.356 5.674
193 HD12 LEU 28 HD12 LEU 28 39.737 4.961 6.550
194 HD13 LEU 28 HD13 LEU 28 38.556 3.700 6.206
195 HD21 LEU 28 HD21 LEU 28 41.135 5.795 3.828
196 HD22 LEU 28 HD22 LEU 28 39.562 6.440 4.290
197 HD23 LEU 28 HD23 LEU 28 39.745 5.570 2.770
198 H GLN 29 HN GLN 29 42.251 0.692 4.466
199 HA GLN 29 HA GLN 29 44.924 1.232 5.233
200 HB2 GLN 29 HB2 GLN 29 43.445 -1.353 4.748
201 HB3 GLN 29 HB1 GLN 29 45.105 -1.307 5.348
202 HG2 GLN 29 HG2 GLN 29 44.405 0.038 7.259
203 HG3 GLN 29 HG1 GLN 29 42.762 0.109 6.638
204 HE21 GLN 29 HE21 GLN 29 42.584 -0.885 9.015
205 HE22 GLN 29 HE22 GLN 29 42.526 -2.580 9.063
206 H GLU 30 HN GLU 30 43.589 -0.196 2.296
207 HA GLU 30 HA GLU 30 46.086 -0.953 1.175
208 HB2 GLU 30 HB2 GLU 30 43.420 -0.283 -0.083
209 HB3 GLU 30 HB1 GLU 30 44.784 -0.955 -0.974
210 HG2 GLU 30 HG2 GLU 30 43.492 -2.262 1.440
211 HG3 GLU 30 HG1 GLU 30 43.154 -2.707 -0.228
212 H ILE 31 HN ILE 31 44.131 2.009 1.065
213 HA ILE 31 HA ILE 31 45.692 3.346 -0.880
214 HB ILE 31 HB ILE 31 43.919 4.372 1.340
215 HG12 ILE 31 HG12 ILE 31 43.510 4.334 -1.669
216 HG13 ILE 31 HG11 ILE 31 42.926 3.054 -0.605
217 HG21 ILE 31 HG21 ILE 31 44.092 6.413 -0.427
218 HG22 ILE 31 HG22 ILE 31 45.717 5.748 -0.574
219 HG23 ILE 31 HG23 ILE 31 45.123 6.285 0.998
220 HD11 ILE 31 HD11 ILE 31 42.249 5.956 -0.094
221 HD12 ILE 31 HD12 ILE 31 41.447 4.517 0.533
222 HD13 ILE 31 HD13 ILE 31 41.263 4.956 -1.165
223 H TYR 32 HN TYR 32 45.882 3.270 2.686
224 HA TYR 32 HA TYR 32 47.955 5.168 2.918
225 HB2 TYR 32 HB2 TYR 32 47.028 2.887 4.637
226 HB3 TYR 32 HB1 TYR 32 48.437 3.840 5.093
227 HD1 TYR 32 HD2 TYR 32 48.063 6.484 4.850
228 HD2 TYR 32 HD1 TYR 32 44.954 3.590 5.452
229 HE1 TYR 32 HE2 TYR 32 46.574 8.272 5.732
230 HE2 TYR 32 HE1 TYR 32 43.459 5.370 6.324
231 HH TYR 32 HH TYR 32 43.190 7.574 6.594
232 H LEU 33 HN LEU 33 48.067 1.624 2.548
233 HA LEU 33 HA LEU 33 50.878 1.347 2.770
234 HB2 LEU 33 HB2 LEU 33 49.368 -0.572 2.992
235 HB3 LEU 33 HB1 LEU 33 48.873 -0.392 1.314
236 HG LEU 33 HG LEU 33 51.140 -0.908 0.549
237 HD11 LEU 33 HD11 LEU 33 52.702 -1.833 2.456
238 HD12 LEU 33 HD12 LEU 33 51.732 -0.794 3.503
239 HD13 LEU 33 HD13 LEU 33 52.638 -0.096 2.161
240 HD21 LEU 33 HD21 LEU 33 51.236 -3.260 1.375
241 HD22 LEU 33 HD22 LEU 33 49.599 -2.766 0.939
242 HD23 LEU 33 HD23 LEU 33 50.078 -2.832 2.634
243 H SER 34 HN SER 34 48.772 1.789 -0.059
244 HA SER 34 HA SER 34 50.876 1.557 -1.962
245 HB2 SER 34 HB2 SER 34 49.251 2.519 -3.547
246 HB3 SER 34 HB1 SER 34 48.518 1.253 -2.571
247 HG SER 34 HG SER 34 48.156 3.383 -1.184
248 H GLY 35 HN GLY 35 49.482 4.278 -0.170
249 HA2 GLY 35 HA2 GLY 35 50.790 6.352 -1.592
250 HA3 GLY 35 HA1 GLY 35 50.139 6.465 0.041
251 H LEU 36 HN LEU 36 51.734 4.398 1.245
252 HA LEU 36 HA LEU 36 54.020 5.873 1.929
253 HB2 LEU 36 HB2 LEU 36 53.044 4.199 3.433
254 HB3 LEU 36 HB1 LEU 36 53.488 2.915 2.310
255 HG LEU 36 HG LEU 36 55.870 3.463 2.611
256 HD11 LEU 36 HD11 LEU 36 54.686 5.732 4.169
257 HD12 LEU 36 HD12 LEU 36 56.061 5.729 3.063
258 HD13 LEU 36 HD13 LEU 36 56.237 5.069 4.689
259 HD21 LEU 36 HD21 LEU 36 56.027 2.910 5.087
260 HD22 LEU 36 HD22 LEU 36 55.017 1.814 4.143
261 HD23 LEU 36 HD23 LEU 36 54.271 3.055 5.149
262 H ARG 37 HN ARG 37 53.594 3.131 -0.310
263 HA ARG 37 HA ARG 37 56.341 2.780 -0.928
264 HB2 ARG 37 HB2 ARG 37 53.815 2.176 -2.466
265 HB3 ARG 37 HB1 ARG 37 55.418 1.723 -3.041
266 HG2 ARG 37 HG2 ARG 37 55.794 0.374 -1.028
267 HG3 ARG 37 HG1 ARG 37 54.235 0.878 -0.375
268 HD2 ARG 37 HD2 ARG 37 53.074 -0.209 -2.249
269 HD3 ARG 37 HD1 ARG 37 54.616 -0.666 -2.963
270 HE ARG 37 HE ARG 37 54.596 -1.717 -0.384
271 HH11 ARG 37 HH21 ARG 37 52.789 -1.993 -3.342
272 HH12 ARG 37 HH22 ARG 37 52.264 -3.614 -3.023
273 HH21 ARG 37 HH11 ARG 37 53.925 -3.820 0.033
274 HH22 ARG 37 HH12 ARG 37 52.925 -4.664 -1.103
275 H SER 38 HN SER 38 53.820 4.814 -2.411
276 HA SER 38 HA SER 38 55.518 5.774 -4.515
277 HB2 SER 38 HB2 SER 38 53.710 7.418 -4.873
278 HB3 SER 38 HB1 SER 38 53.081 5.779 -4.724
279 HG SER 38 HG SER 38 51.883 6.660 -3.225
280 H TRP 39 HN TRP 39 54.725 6.766 -1.248
281 HA TRP 39 HA TRP 39 55.669 9.404 -1.288
282 HB2 TRP 39 HB2 TRP 39 54.298 8.649 0.548
283 HB3 TRP 39 HB1 TRP 39 55.460 7.390 0.960
284 HD1 TRP 39 HD1 TRP 39 57.217 7.967 2.684
285 HE1 TRP 39 HE1 TRP 39 58.114 10.128 3.765
286 HE3 TRP 39 HE3 TRP 39 54.649 11.466 -0.045
287 HZ2 TRP 39 HZ2 TRP 39 57.785 12.954 3.518
288 HZ3 TRP 39 HZ3 TRP 39 54.968 13.880 0.410
289 HH2 TRP 39 HH2 TRP 39 56.528 14.626 2.181
290 H LYS 40 HN LYS 40 57.364 6.330 -0.716
291 HA LYS 40 HA LYS 40 59.778 7.360 0.243
292 HB2 LYS 40 HB2 LYS 40 59.146 4.973 0.270
293 HB3 LYS 40 HB1 LYS 40 59.364 4.920 -1.478
294 HG2 LYS 40 HG2 LYS 40 61.731 5.531 -1.213
295 HG3 LYS 40 HG1 LYS 40 61.528 5.639 0.536
296 HD2 LYS 40 HD2 LYS 40 60.857 3.228 0.563
297 HD3 LYS 40 HD1 LYS 40 61.168 3.158 -1.172
298 HE2 LYS 40 HE2 LYS 40 63.513 3.770 -0.815
299 HE3 LYS 40 HE1 LYS 40 63.225 3.905 0.921
300 HZ1 LYS 40 HZ1 LYS 40 64.185 1.756 0.204
301 HZ2 LYS 40 HZ2 LYS 40 62.743 1.434 -0.635
302 HZ3 LYS 40 HZ3 LYS 40 62.724 1.613 1.055
303 H ARG 41 HN ARG 41 58.609 6.994 -3.123
304 HA ARG 41 HA ARG 41 61.125 7.475 -4.316
305 HB2 ARG 41 HB2 ARG 41 58.305 7.954 -5.288
306 HB3 ARG 41 HB1 ARG 41 59.733 8.214 -6.281
307 HG2 ARG 41 HG2 ARG 41 60.388 5.853 -5.996
308 HG3 ARG 41 HG1 ARG 41 58.980 5.589 -4.968
309 HD2 ARG 41 HD2 ARG 41 57.484 6.184 -6.835
310 HD3 ARG 41 HD1 ARG 41 58.879 6.466 -7.873
311 HE ARG 41 HE ARG 41 57.836 3.881 -7.008
312 HH11 ARG 41 HH21 ARG 41 60.410 5.685 -8.487
313 HH12 ARG 41 HH22 ARG 41 61.082 4.309 -9.294
314 HH21 ARG 41 HH11 ARG 41 58.732 2.096 -8.055
315 HH22 ARG 41 HH12 ARG 41 60.141 2.286 -9.043
316 H HIS 42 HN HIS 42 58.575 9.608 -3.160
317 HA HIS 42 HA HIS 42 59.898 12.012 -4.135
318 HB2 HIS 42 HB2 HIS 42 57.494 11.570 -2.350
319 HB3 HIS 42 HB1 HIS 42 58.122 13.165 -2.752
320 HD2 HIS 42 HD2 HIS 42 57.378 14.111 -5.264
321 HE1 HIS 42 HE1 HIS 42 55.541 10.566 -6.634
322 HE2 HIS 42 HE2 HIS 42 55.970 13.014 -7.172
323 H LEU 43 HN LEU 43 60.066 9.943 -1.495
324 HA LEU 43 HA LEU 43 61.098 11.826 0.436
325 HB2 LEU 43 HB2 LEU 43 59.755 9.608 0.868
326 HB3 LEU 43 HB1 LEU 43 61.340 8.861 0.683
327 HG LEU 43 HG LEU 43 62.234 10.380 2.432
328 HD11 LEU 43 HD11 LEU 43 59.989 11.194 3.837
329 HD12 LEU 43 HD12 LEU 43 59.532 11.518 2.164
330 HD13 LEU 43 HD13 LEU 43 60.995 12.236 2.835
331 HD21 LEU 43 HD21 LEU 43 61.826 8.520 3.647
332 HD22 LEU 43 HD22 LEU 43 60.326 8.198 2.777
333 HD23 LEU 43 HD23 LEU 43 60.326 9.287 4.165
334 H SER 44 HN SER 44 62.362 10.296 -2.268
335 HA SER 44 HA SER 44 64.796 9.275 -1.438
336 HB2 SER 44 HB2 SER 44 64.163 8.881 -3.673
337 HB3 SER 44 HB1 SER 44 63.934 10.597 -3.999
338 HG SER 44 HG SER 44 65.950 9.590 -4.763
339 H ARG 45 HN ARG 45 64.101 12.731 -2.287
340 HA ARG 45 HA ARG 45 66.769 13.591 -2.063
341 HB2 ARG 45 HB2 ARG 45 64.138 15.006 -1.600
342 HB3 ARG 45 HB1 ARG 45 65.692 15.839 -1.541
343 HG2 ARG 45 HG2 ARG 45 66.184 15.114 -3.837
344 HG3 ARG 45 HG1 ARG 45 64.655 14.238 -3.900
345 HD2 ARG 45 HD2 ARG 45 63.424 16.340 -3.581
346 HD3 ARG 45 HD1 ARG 45 64.941 17.230 -3.494
347 HE ARG 45 HE ARG 45 64.927 15.804 -5.911
348 HH11 ARG 45 HH21 ARG 45 63.269 18.371 -4.297
349 HH12 ARG 45 HH22 ARG 45 62.752 19.137 -5.761
350 HH21 ARG 45 HH11 ARG 45 64.290 16.808 -7.831
351 HH22 ARG 45 HH12 ARG 45 63.333 18.251 -7.773
352 H PHE 46 HN PHE 46 64.176 13.638 0.400
353 HA PHE 46 HA PHE 46 65.798 14.589 2.527
354 HB2 PHE 46 HB2 PHE 46 63.169 13.099 2.489
355 HB3 PHE 46 HB1 PHE 46 63.909 13.724 3.963
356 HD1 PHE 46 HD1 PHE 46 64.268 16.188 4.241
357 HD2 PHE 46 HD2 PHE 46 62.122 14.556 0.902
358 HE1 PHE 46 HE1 PHE 46 63.329 18.431 3.753
359 HE2 PHE 46 HE2 PHE 46 61.168 16.794 0.414
360 HZ PHE 46 HZ PHE 46 61.771 18.734 1.846
361 H TRP 47 HN TRP 47 64.889 11.348 1.452
362 HA TRP 47 HA TRP 47 65.946 9.907 3.642
363 HB2 TRP 47 HB2 TRP 47 64.393 8.894 2.034
364 HB3 TRP 47 HB1 TRP 47 65.618 9.010 0.769
365 HD1 TRP 47 HD1 TRP 47 64.834 7.166 4.028
366 HE1 TRP 47 HE1 TRP 47 66.358 5.091 4.182
367 HE3 TRP 47 HE3 TRP 47 67.810 7.956 -0.048
368 HZ2 TRP 47 HZ2 TRP 47 68.534 3.912 2.753
369 HZ3 TRP 47 HZ3 TRP 47 69.601 6.343 -0.631
370 HH2 TRP 47 HH2 TRP 47 69.969 4.323 0.761
371 H ASN 48 HN ASN 48 67.412 10.858 0.540
372 HA ASN 48 HA ASN 48 69.859 9.491 0.920
373 HB2 ASN 48 HB2 ASN 48 69.165 10.363 -1.263
374 HB3 ASN 48 HB1 ASN 48 69.279 12.011 -0.651
375 HD21 ASN 48 HD21 ASN 48 70.873 11.332 -2.882
376 HD22 ASN 48 HD22 ASN 48 72.501 11.236 -2.408
377 H ASP 49 HN ASP 49 68.821 12.769 1.783
378 HA ASP 49 HA ASP 49 71.328 13.685 2.725
379 HB2 ASP 49 HB2 ASP 49 69.455 15.212 2.274
380 HB3 ASP 49 HB1 ASP 49 68.541 14.493 3.600
381 H PHE 50 HN PHE 50 68.599 12.081 4.331
382 HA PHE 50 HA PHE 50 69.806 12.116 6.930
383 HB2 PHE 50 HB2 PHE 50 67.374 11.986 6.663
384 HB3 PHE 50 HB1 PHE 50 67.539 10.441 5.827
385 HD1 PHE 50 HD2 PHE 50 68.359 12.149 9.061
386 HD2 PHE 50 HD1 PHE 50 67.605 8.439 7.032
387 HE1 PHE 50 HE2 PHE 50 68.353 10.951 11.242
388 HE2 PHE 50 HE1 PHE 50 67.605 7.240 9.206
389 HZ PHE 50 HZ PHE 50 67.978 8.499 11.308
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 9.310 -1.650 17.884
2 H2 MET 1 HT2 MET 1 7.918 -0.951 18.562
3 H3 MET 1 HT3 MET 1 9.181 0.041 18.001
4 HA MET 1 HA MET 1 8.544 -1.457 15.819
5 HB2 MET 1 HB2 MET 1 6.061 -0.628 17.354
6 HB3 MET 1 HB1 MET 1 6.060 -1.093 15.656
7 HG2 MET 1 HG2 MET 1 6.978 -2.849 17.950
8 HG3 MET 1 HG1 MET 1 5.429 -2.988 17.133
9 HE1 MET 1 HE1 MET 1 5.709 -4.538 14.070
10 HE2 MET 1 HE2 MET 1 6.403 -2.986 13.629
11 HE3 MET 1 HE3 MET 1 5.121 -3.059 14.834
12 H ALA 2 HN ALA 2 10.090 0.576 15.929
13 HA ALA 2 HA ALA 2 8.938 3.164 15.860
14 HB1 ALA 2 HB1 ALA 2 11.228 3.185 14.210
15 HB2 ALA 2 HB2 ALA 2 11.546 2.001 15.481
16 HB3 ALA 2 HB3 ALA 2 11.123 3.659 15.905
17 H GLU 3 HN GLU 3 8.205 4.409 14.224
18 HA GLU 3 HA GLU 3 6.990 3.159 12.002
19 HB2 GLU 3 HB2 GLU 3 7.571 6.069 12.606
20 HB3 GLU 3 HB1 GLU 3 6.598 5.531 11.238
21 HG2 GLU 3 HG2 GLU 3 5.042 4.402 12.773
22 HG3 GLU 3 HG1 GLU 3 6.023 4.888 14.149
23 H ALA 4 HN ALA 4 7.606 2.934 9.915
24 HA ALA 4 HA ALA 4 10.352 2.868 9.252
25 HB1 ALA 4 HB1 ALA 4 9.664 2.024 7.208
26 HB2 ALA 4 HB2 ALA 4 8.271 3.095 7.113
27 HB3 ALA 4 HB3 ALA 4 8.233 1.690 8.174
28 H HIS 5 HN HIS 5 7.820 5.258 8.766
29 HA HIS 5 HA HIS 5 9.807 7.091 7.569
30 HB2 HIS 5 HB2 HIS 5 6.801 6.963 7.262
31 HB3 HIS 5 HB1 HIS 5 7.788 8.305 6.675
32 HD2 HIS 5 HD2 HIS 5 9.331 7.727 4.362
33 HE1 HIS 5 HE1 HIS 5 7.964 3.761 3.877
34 HE2 HIS 5 HE2 HIS 5 9.318 5.624 2.811
35 H GLN 6 HN GLN 6 10.033 9.142 8.364
36 HA GLN 6 HA GLN 6 8.648 9.734 10.912
37 HB2 GLN 6 HB2 GLN 6 11.470 10.365 10.029
38 HB3 GLN 6 HB1 GLN 6 10.715 11.038 11.479
39 HG2 GLN 6 HG2 GLN 6 10.316 8.803 12.359
40 HG3 GLN 6 HG1 GLN 6 10.955 8.075 10.884
41 HE21 GLN 6 HE21 GLN 6 12.312 7.121 12.884
42 HE22 GLN 6 HE22 GLN 6 13.768 7.931 13.198
43 H ALA 7 HN ALA 7 7.429 11.503 10.934
44 HA ALA 7 HA ALA 7 7.050 13.130 8.658
45 HB1 ALA 7 HB1 ALA 7 6.179 13.294 11.521
46 HB2 ALA 7 HB2 ALA 7 5.201 13.042 10.078
47 HB3 ALA 7 HB3 ALA 7 5.868 14.635 10.418
48 H VAL 8 HN VAL 8 8.949 13.568 11.610
49 HA VAL 8 HA VAL 8 10.050 16.075 10.463
50 HB VAL 8 HB VAL 8 9.580 15.248 13.340
51 HG11 VAL 8 HG11 VAL 8 10.590 17.486 13.901
52 HG12 VAL 8 HG12 VAL 8 11.164 17.588 12.237
53 HG13 VAL 8 HG13 VAL 8 11.755 16.313 13.300
54 HG21 VAL 8 HG21 VAL 8 7.900 16.483 11.600
55 HG22 VAL 8 HG22 VAL 8 8.747 17.884 12.264
56 HG23 VAL 8 HG23 VAL 8 7.885 16.776 13.338
57 H GLY 9 HN GLY 9 12.172 16.087 10.040
58 HA2 GLY 9 HA2 GLY 9 14.153 14.750 11.559
59 HA3 GLY 9 HA1 GLY 9 13.758 13.785 10.133
60 H PHE 10 HN PHE 10 16.179 14.376 9.847
61 HA PHE 10 HA PHE 10 16.606 17.054 8.782
62 HB2 PHE 10 HB2 PHE 10 18.389 16.090 10.114
63 HB3 PHE 10 HB1 PHE 10 18.472 14.686 9.044
64 HD1 PHE 10 HD2 PHE 10 18.822 18.416 9.080
65 HD2 PHE 10 HD1 PHE 10 19.798 14.727 7.114
66 HE1 PHE 10 HE2 PHE 10 20.392 19.629 7.587
67 HE2 PHE 10 HE1 PHE 10 21.367 15.934 5.625
68 HZ PHE 10 HZ PHE 10 21.665 18.384 5.861
69 H ARG 11 HN ARG 11 16.386 17.582 6.741
70 HA ARG 11 HA ARG 11 15.228 16.127 4.791
71 HB2 ARG 11 HB2 ARG 11 16.862 18.540 4.871
72 HB3 ARG 11 HB1 ARG 11 16.981 17.700 3.329
73 HG2 ARG 11 HG2 ARG 11 15.111 19.299 3.294
74 HG3 ARG 11 HG1 ARG 11 14.513 17.646 3.172
75 HD2 ARG 11 HD2 ARG 11 13.472 17.737 5.191
76 HD3 ARG 11 HD1 ARG 11 14.792 18.630 5.935
77 HE ARG 11 HE ARG 11 13.266 20.217 4.069
78 HH11 ARG 11 HH21 ARG 11 13.472 18.977 7.293
79 HH12 ARG 11 HH22 ARG 11 12.544 20.260 7.994
80 HH21 ARG 11 HH11 ARG 11 12.033 21.892 4.971
81 HH22 ARG 11 HH12 ARG 11 11.725 21.916 6.678
82 HA PRO 12 HA PRO 12 17.968 13.086 3.095
83 HB2 PRO 12 HB2 PRO 12 17.851 14.222 0.372
84 HB3 PRO 12 HB1 PRO 12 17.304 12.639 0.954
85 HG2 PRO 12 HG2 PRO 12 15.621 14.613 0.242
86 HG3 PRO 12 HG1 PRO 12 15.230 13.404 1.473
87 HD2 PRO 12 HD2 PRO 12 15.981 16.266 1.813
88 HD3 PRO 12 HD1 PRO 12 14.929 15.238 2.806
89 H SER 13 HN SER 13 20.154 12.808 2.723
90 HA SER 13 HA SER 13 21.787 15.191 2.754
91 HB2 SER 13 HB2 SER 13 23.646 13.685 3.048
92 HB3 SER 13 HB1 SER 13 22.324 13.137 4.075
93 HG SER 13 HG SER 13 22.920 12.161 1.473
94 H LEU 14 HN LEU 14 23.584 15.522 1.212
95 HA LEU 14 HA LEU 14 22.672 15.494 -1.465
96 HB2 LEU 14 HB2 LEU 14 25.444 15.923 -0.317
97 HB3 LEU 14 HB1 LEU 14 25.044 16.151 -2.017
98 HG LEU 14 HG LEU 14 23.650 17.563 0.279
99 HD11 LEU 14 HD11 LEU 14 24.911 19.563 -0.751
100 HD12 LEU 14 HD12 LEU 14 25.945 18.350 -1.508
101 HD13 LEU 14 HD13 LEU 14 25.840 18.443 0.250
102 HD21 LEU 14 HD21 LEU 14 23.192 19.095 -1.882
103 HD22 LEU 14 HD22 LEU 14 22.118 17.777 -1.427
104 HD23 LEU 14 HD23 LEU 14 23.322 17.540 -2.691
105 H THR 15 HN THR 15 24.902 13.416 0.345
106 HA THR 15 HA THR 15 25.376 11.710 -1.970
107 HB THR 15 HB THR 15 26.795 10.415 -0.489
108 HG1 THR 15 HG1 THR 15 26.776 11.589 1.774
109 HG21 THR 15 HG21 THR 15 27.061 13.269 -0.815
110 HG22 THR 15 HG22 THR 15 28.325 12.038 -0.776
111 HG23 THR 15 HG23 THR 15 27.766 12.772 0.723
112 H SER 16 HN SER 16 24.969 9.322 -1.750
113 HA SER 16 HA SER 16 22.202 8.884 -1.074
114 HB2 SER 16 HB2 SER 16 22.410 6.874 -2.219
115 HB3 SER 16 HB1 SER 16 23.655 7.845 -2.990
116 HG SER 16 HG SER 16 23.868 5.645 -1.355
117 H ASP 17 HN ASP 17 21.460 7.153 0.321
118 HA ASP 17 HA ASP 17 22.663 7.236 2.903
119 HB2 ASP 17 HB2 ASP 17 20.408 5.629 1.709
120 HB3 ASP 17 HB1 ASP 17 20.908 5.436 3.384
121 H GLY 18 HN GLY 18 23.840 5.714 4.015
122 HA2 GLY 18 HA2 GLY 18 25.053 3.776 4.393
123 HA3 GLY 18 HA1 GLY 18 24.324 3.083 2.945
124 H ALA 19 HN ALA 19 25.792 6.178 2.649
125 HA ALA 19 HA ALA 19 27.572 5.412 0.611
126 HB1 ALA 19 HB1 ALA 19 27.650 7.831 2.428
127 HB2 ALA 19 HB2 ALA 19 26.774 7.710 0.903
128 HB3 ALA 19 HB3 ALA 19 28.541 7.664 0.910
129 H GLU 20 HN GLU 20 27.899 5.390 4.064
130 HA GLU 20 HA GLU 20 30.694 5.522 4.318
131 HB2 GLU 20 HB2 GLU 20 29.086 5.764 6.184
132 HB3 GLU 20 HB1 GLU 20 28.712 4.049 6.076
133 HG2 GLU 20 HG2 GLU 20 30.322 4.303 7.843
134 HG3 GLU 20 HG1 GLU 20 31.180 3.590 6.481
135 H VAL 21 HN VAL 21 28.575 2.791 3.545
136 HA VAL 21 HA VAL 21 30.385 0.701 4.037
137 HB VAL 21 HB VAL 21 27.950 0.433 3.582
138 HG11 VAL 21 HG11 VAL 21 28.494 1.933 1.327
139 HG12 VAL 21 HG12 VAL 21 27.007 1.032 1.624
140 HG13 VAL 21 HG13 VAL 21 28.311 0.305 0.678
141 HG21 VAL 21 HG21 VAL 21 28.346 -1.724 3.060
142 HG22 VAL 21 HG22 VAL 21 30.045 -1.286 2.885
143 HG23 VAL 21 HG23 VAL 21 28.989 -1.295 1.476
144 H GLU 22 HN GLU 22 30.231 2.987 1.401
145 HA GLU 22 HA GLU 22 31.694 1.561 -0.544
146 HB2 GLU 22 HB2 GLU 22 30.476 3.647 -1.018
147 HB3 GLU 22 HB1 GLU 22 31.622 4.542 -0.014
148 HG2 GLU 22 HG2 GLU 22 33.464 3.881 -1.509
149 HG3 GLU 22 HG1 GLU 22 32.335 2.954 -2.500
150 H LEU 23 HN LEU 23 32.729 3.663 2.119
151 HA LEU 23 HA LEU 23 35.530 2.820 1.633
152 HB2 LEU 23 HB2 LEU 23 34.515 5.324 3.007
153 HB3 LEU 23 HB1 LEU 23 36.203 4.902 2.756
154 HG LEU 23 HG LEU 23 34.169 5.355 0.552
155 HD11 LEU 23 HD11 LEU 23 36.124 7.247 0.252
156 HD12 LEU 23 HD12 LEU 23 36.043 7.123 2.007
157 HD13 LEU 23 HD13 LEU 23 34.598 7.528 1.081
158 HD21 LEU 23 HD21 LEU 23 36.487 5.486 -0.724
159 HD22 LEU 23 HD22 LEU 23 35.724 3.931 -0.427
160 HD23 LEU 23 HD23 LEU 23 37.039 4.477 0.610
161 H SER 24 HN SER 24 36.437 1.591 3.161
162 HA SER 24 HA SER 24 35.533 1.788 5.943
163 HB2 SER 24 HB2 SER 24 35.429 -0.732 6.048
164 HB3 SER 24 HB1 SER 24 34.137 0.035 5.137
165 HG SER 24 HG SER 24 34.921 -0.762 3.333
166 H ALA 25 HN ALA 25 36.944 0.313 7.374
167 HA ALA 25 HA ALA 25 39.505 1.220 7.401
168 HB1 ALA 25 HB1 ALA 25 38.028 -0.801 8.793
169 HB2 ALA 25 HB2 ALA 25 39.416 0.128 9.345
170 HB3 ALA 25 HB3 ALA 25 39.667 -1.385 8.478
171 HA PRO 26 HA PRO 26 41.180 -2.813 5.207
172 HB2 PRO 26 HB2 PRO 26 38.899 -3.304 3.361
173 HB3 PRO 26 HB1 PRO 26 39.953 -4.462 4.198
174 HG2 PRO 26 HG2 PRO 26 37.439 -4.031 4.983
175 HG3 PRO 26 HG1 PRO 26 38.732 -4.380 6.136
176 HD2 PRO 26 HD2 PRO 26 37.391 -1.783 5.539
177 HD3 PRO 26 HD1 PRO 26 38.061 -2.378 7.069
178 H VAL 27 HN VAL 27 38.913 -0.687 3.475
179 HA VAL 27 HA VAL 27 40.494 -0.421 1.106
180 HB VAL 27 HB VAL 27 38.270 1.276 2.272
181 HG11 VAL 27 HG11 VAL 27 39.924 1.546 -0.229
182 HG12 VAL 27 HG12 VAL 27 39.393 2.804 0.888
183 HG13 VAL 27 HG13 VAL 27 38.238 2.069 -0.224
184 HG21 VAL 27 HG21 VAL 27 38.434 -0.764 0.030
185 HG22 VAL 27 HG22 VAL 27 37.017 0.230 0.364
186 HG23 VAL 27 HG23 VAL 27 37.572 -0.948 1.557
187 H LEU 28 HN LEU 28 40.116 1.428 4.078
188 HA LEU 28 HA LEU 28 41.798 3.595 3.400
189 HB2 LEU 28 HB2 LEU 28 41.080 2.424 6.094
190 HB3 LEU 28 HB1 LEU 28 41.982 3.921 5.880
191 HG LEU 28 HG LEU 28 39.245 3.420 4.671
192 HD11 LEU 28 HD11 LEU 28 40.111 4.401 7.348
193 HD12 LEU 28 HD12 LEU 28 38.636 3.544 6.880
194 HD13 LEU 28 HD13 LEU 28 38.790 5.272 6.570
195 HD21 LEU 28 HD21 LEU 28 39.467 6.088 4.798
196 HD22 LEU 28 HD22 LEU 28 40.088 5.181 3.426
197 HD23 LEU 28 HD23 LEU 28 41.184 5.709 4.696
198 H GLN 29 HN GLN 29 42.485 0.493 5.003
199 HA GLN 29 HA GLN 29 45.166 1.064 5.681
200 HB2 GLN 29 HB2 GLN 29 43.759 -1.566 5.174
201 HB3 GLN 29 HB1 GLN 29 45.423 -1.451 5.744
202 HG2 GLN 29 HG2 GLN 29 44.702 -0.192 7.707
203 HG3 GLN 29 HG1 GLN 29 43.038 -0.201 7.133
204 HE21 GLN 29 HE21 GLN 29 42.969 -1.248 9.475
205 HE22 GLN 29 HE22 GLN 29 43.063 -2.940 9.517
206 H GLU 30 HN GLU 30 43.740 -0.411 2.780
207 HA GLU 30 HA GLU 30 46.246 -1.009 1.578
208 HB2 GLU 30 HB2 GLU 30 43.515 -0.594 0.350
209 HB3 GLU 30 HB1 GLU 30 44.927 -1.183 -0.524
210 HG2 GLU 30 HG2 GLU 30 45.115 -3.103 0.972
211 HG3 GLU 30 HG1 GLU 30 43.763 -2.506 1.939
212 H ILE 31 HN ILE 31 44.098 1.850 1.421
213 HA ILE 31 HA ILE 31 45.554 3.173 -0.628
214 HB ILE 31 HB ILE 31 43.822 4.258 1.615
215 HG12 ILE 31 HG12 ILE 31 43.251 4.039 -1.362
216 HG13 ILE 31 HG11 ILE 31 42.837 2.761 -0.230
217 HG21 ILE 31 HG21 ILE 31 45.152 5.606 -0.760
218 HG22 ILE 31 HG22 ILE 31 45.295 6.040 0.946
219 HG23 ILE 31 HG23 ILE 31 43.776 6.315 0.094
220 HD11 ILE 31 HD11 ILE 31 41.333 4.166 0.980
221 HD12 ILE 31 HD12 ILE 31 40.979 4.437 -0.729
222 HD13 ILE 31 HD13 ILE 31 41.936 5.617 0.172
223 H TYR 32 HN TYR 32 45.800 3.210 2.928
224 HA TYR 32 HA TYR 32 47.828 5.157 3.124
225 HB2 TYR 32 HB2 TYR 32 46.555 4.434 5.060
226 HB3 TYR 32 HB1 TYR 32 47.194 2.800 4.904
227 HD1 TYR 32 HD1 TYR 32 48.196 6.343 5.442
228 HD2 TYR 32 HD2 TYR 32 49.258 2.205 5.876
229 HE1 TYR 32 HE1 TYR 32 50.145 6.991 6.831
230 HE2 TYR 32 HE2 TYR 32 51.209 2.851 7.260
231 HH TYR 32 HH TYR 32 51.725 4.975 8.804
232 H LEU 33 HN LEU 33 48.060 1.591 2.887
233 HA LEU 33 HA LEU 33 50.882 1.490 3.028
234 HB2 LEU 33 HB2 LEU 33 48.873 -0.382 1.785
235 HB3 LEU 33 HB1 LEU 33 50.596 -0.746 1.881
236 HG LEU 33 HG LEU 33 48.873 -0.040 4.276
237 HD11 LEU 33 HD11 LEU 33 49.642 -2.704 3.083
238 HD12 LEU 33 HD12 LEU 33 48.033 -2.124 3.524
239 HD13 LEU 33 HD13 LEU 33 49.199 -2.537 4.780
240 HD21 LEU 33 HD21 LEU 33 51.750 -0.489 3.842
241 HD22 LEU 33 HD22 LEU 33 51.075 -1.511 5.112
242 HD23 LEU 33 HD23 LEU 33 50.918 0.244 5.212
243 H SER 34 HN SER 34 48.655 1.748 0.313
244 HA SER 34 HA SER 34 50.615 1.536 -1.726
245 HB2 SER 34 HB2 SER 34 48.873 2.495 -3.193
246 HB3 SER 34 HB1 SER 34 48.239 1.181 -2.192
247 HG SER 34 HG SER 34 47.758 3.927 -2.103
248 H GLY 35 HN GLY 35 49.318 4.226 0.158
249 HA2 GLY 35 HA2 GLY 35 50.481 6.341 -1.340
250 HA3 GLY 35 HA1 GLY 35 49.946 6.429 0.337
251 H LEU 36 HN LEU 36 51.619 4.314 1.318
252 HA LEU 36 HA LEU 36 53.926 5.761 1.994
253 HB2 LEU 36 HB2 LEU 36 53.009 3.974 3.397
254 HB3 LEU 36 HB1 LEU 36 53.368 2.786 2.148
255 HG LEU 36 HG LEU 36 55.769 3.239 2.370
256 HD11 LEU 36 HD11 LEU 36 56.344 4.658 4.509
257 HD12 LEU 36 HD12 LEU 36 54.775 5.400 4.198
258 HD13 LEU 36 HD13 LEU 36 56.039 5.465 2.971
259 HD21 LEU 36 HD21 LEU 36 56.100 2.383 4.660
260 HD22 LEU 36 HD22 LEU 36 54.785 1.537 3.842
261 HD23 LEU 36 HD23 LEU 36 54.427 2.776 5.045
262 H ARG 37 HN ARG 37 53.392 3.149 -0.379
263 HA ARG 37 HA ARG 37 56.099 2.926 -1.174
264 HB2 ARG 37 HB2 ARG 37 53.508 2.291 -2.578
265 HB3 ARG 37 HB1 ARG 37 55.087 1.971 -3.303
266 HG2 ARG 37 HG2 ARG 37 55.706 0.609 -1.358
267 HG3 ARG 37 HG1 ARG 37 54.147 0.940 -0.610
268 HD2 ARG 37 HD2 ARG 37 53.007 -0.138 -2.519
269 HD3 ARG 37 HD1 ARG 37 54.581 -0.481 -3.246
270 HE ARG 37 HE ARG 37 54.933 -2.150 -1.639
271 HH11 ARG 37 HH21 ARG 37 52.163 -0.205 -0.977
272 HH12 ARG 37 HH22 ARG 37 51.499 -1.288 0.199
273 HH21 ARG 37 HH11 ARG 37 54.096 -3.572 -0.075
274 HH22 ARG 37 HH12 ARG 37 52.608 -3.199 0.720
275 H SER 38 HN SER 38 53.435 4.963 -2.345
276 HA SER 38 HA SER 38 54.951 6.147 -4.462
277 HB2 SER 38 HB2 SER 38 52.411 6.981 -3.061
278 HB3 SER 38 HB1 SER 38 53.111 7.856 -4.426
279 HG SER 38 HG SER 38 53.118 5.476 -5.279
280 H TRP 39 HN TRP 39 54.350 6.868 -1.089
281 HA TRP 39 HA TRP 39 55.274 9.510 -0.980
282 HB2 TRP 39 HB2 TRP 39 53.956 8.382 0.794
283 HB3 TRP 39 HB1 TRP 39 55.366 7.403 1.188
284 HD1 TRP 39 HD1 TRP 39 54.288 11.091 1.049
285 HE1 TRP 39 HE1 TRP 39 55.607 12.397 2.835
286 HE3 TRP 39 HE3 TRP 39 57.333 7.373 2.775
287 HZ2 TRP 39 HZ2 TRP 39 57.678 11.911 4.768
288 HZ3 TRP 39 HZ3 TRP 39 58.950 7.808 4.601
289 HH2 TRP 39 HH2 TRP 39 59.129 10.073 5.597
290 H LYS 40 HN LYS 40 56.996 6.436 -0.773
291 HA LYS 40 HA LYS 40 59.455 7.354 0.177
292 HB2 LYS 40 HB2 LYS 40 58.788 4.975 0.041
293 HB3 LYS 40 HB1 LYS 40 58.954 5.048 -1.716
294 HG2 LYS 40 HG2 LYS 40 61.338 5.608 -1.482
295 HG3 LYS 40 HG1 LYS 40 61.184 5.590 0.272
296 HD2 LYS 40 HD2 LYS 40 60.515 3.214 0.199
297 HD3 LYS 40 HD1 LYS 40 60.689 3.230 -1.560
298 HE2 LYS 40 HE2 LYS 40 63.057 3.809 -1.354
299 HE3 LYS 40 HE1 LYS 40 62.909 3.839 0.403
300 HZ1 LYS 40 HZ1 LYS 40 63.763 1.736 -0.170
301 HZ2 LYS 40 HZ2 LYS 40 62.616 1.515 -1.407
302 HZ3 LYS 40 HZ3 LYS 40 62.129 1.480 0.218
303 H ARG 41 HN ARG 41 58.160 7.470 -3.184
304 HA ARG 41 HA ARG 41 60.683 7.988 -4.414
305 HB2 ARG 41 HB2 ARG 41 58.582 7.465 -5.658
306 HB3 ARG 41 HB1 ARG 41 57.949 9.044 -5.209
307 HG2 ARG 41 HG2 ARG 41 59.860 10.128 -6.363
308 HG3 ARG 41 HG1 ARG 41 60.461 8.541 -6.837
309 HD2 ARG 41 HD2 ARG 41 59.189 9.495 -8.685
310 HD3 ARG 41 HD1 ARG 41 58.317 8.113 -8.029
311 HE ARG 41 HE ARG 41 57.466 10.484 -6.726
312 HH11 ARG 41 HH21 ARG 41 57.318 8.789 -9.733
313 HH12 ARG 41 HH22 ARG 41 55.807 9.490 -10.214
314 HH21 ARG 41 HH11 ARG 41 55.481 11.417 -7.355
315 HH22 ARG 41 HH12 ARG 41 54.781 10.991 -8.883
316 H HIS 42 HN HIS 42 58.180 9.998 -3.037
317 HA HIS 42 HA HIS 42 59.429 12.513 -3.425
318 HB2 HIS 42 HB2 HIS 42 57.314 11.585 -1.465
319 HB3 HIS 42 HB1 HIS 42 57.860 13.268 -1.579
320 HD2 HIS 42 HD2 HIS 42 57.903 11.979 -5.112
321 HE1 HIS 42 HE1 HIS 42 53.983 13.464 -4.599
322 HE2 HIS 42 HE2 HIS 42 55.697 12.696 -6.308
323 H LEU 43 HN LEU 43 59.923 9.984 -1.182
324 HA LEU 43 HA LEU 43 61.292 11.542 0.829
325 HB2 LEU 43 HB2 LEU 43 59.939 9.370 1.168
326 HB3 LEU 43 HB1 LEU 43 61.376 8.552 0.550
327 HG LEU 43 HG LEU 43 62.726 9.664 2.338
328 HD11 LEU 43 HD11 LEU 43 61.055 10.406 4.303
329 HD12 LEU 43 HD12 LEU 43 60.046 10.860 2.934
330 HD13 LEU 43 HD13 LEU 43 61.650 11.556 3.116
331 HD21 LEU 43 HD21 LEU 43 61.391 8.361 4.235
332 HD22 LEU 43 HD22 LEU 43 62.194 7.493 2.927
333 HD23 LEU 43 HD23 LEU 43 60.459 7.787 2.848
334 H SER 44 HN SER 44 62.159 10.347 -2.217
335 HA SER 44 HA SER 44 64.677 9.256 -1.841
336 HB2 SER 44 HB2 SER 44 63.739 9.116 -4.004
337 HB3 SER 44 HB1 SER 44 63.530 10.852 -4.109
338 HG SER 44 HG SER 44 65.574 9.447 -4.928
339 H ARG 45 HN ARG 45 63.933 12.781 -2.309
340 HA ARG 45 HA ARG 45 66.657 13.495 -2.327
341 HB2 ARG 45 HB2 ARG 45 64.203 15.079 -1.575
342 HB3 ARG 45 HB1 ARG 45 65.828 15.783 -1.608
343 HG2 ARG 45 HG2 ARG 45 66.082 15.139 -3.954
344 HG3 ARG 45 HG1 ARG 45 64.485 14.386 -3.942
345 HD2 ARG 45 HD2 ARG 45 63.455 16.563 -3.438
346 HD3 ARG 45 HD1 ARG 45 65.044 17.319 -3.410
347 HE ARG 45 HE ARG 45 64.804 16.052 -5.875
348 HH11 ARG 45 HH21 ARG 45 63.199 18.532 -4.065
349 HH12 ARG 45 HH22 ARG 45 62.771 19.457 -5.462
350 HH21 ARG 45 HH11 ARG 45 64.277 17.282 -7.699
351 HH22 ARG 45 HH12 ARG 45 63.379 18.755 -7.512
352 H PHE 46 HN PHE 46 64.345 13.415 0.350
353 HA PHE 46 HA PHE 46 66.131 14.233 2.368
354 HB2 PHE 46 HB2 PHE 46 63.721 14.257 2.706
355 HB3 PHE 46 HB1 PHE 46 63.659 12.502 2.528
356 HD1 PHE 46 HD2 PHE 46 65.322 15.172 4.564
357 HD2 PHE 46 HD1 PHE 46 63.875 11.127 4.416
358 HE1 PHE 46 HE2 PHE 46 65.865 14.890 6.966
359 HE2 PHE 46 HE1 PHE 46 64.424 10.850 6.820
360 HZ PHE 46 HZ PHE 46 65.421 12.730 8.095
361 H TRP 47 HN TRP 47 65.217 11.045 1.151
362 HA TRP 47 HA TRP 47 66.630 9.469 3.002
363 HB2 TRP 47 HB2 TRP 47 64.970 8.432 1.619
364 HB3 TRP 47 HB1 TRP 47 65.809 8.925 0.147
365 HD1 TRP 47 HD1 TRP 47 67.327 7.150 -0.871
366 HE1 TRP 47 HE1 TRP 47 68.530 5.038 -0.005
367 HE3 TRP 47 HE3 TRP 47 66.105 7.417 4.075
368 HZ2 TRP 47 HZ2 TRP 47 68.925 3.651 2.465
369 HZ3 TRP 47 HZ3 TRP 47 66.906 5.692 5.665
370 HH2 TRP 47 HH2 TRP 47 68.315 3.810 4.867
371 H ASN 48 HN ASN 48 67.637 10.808 -0.131
372 HA ASN 48 HA ASN 48 70.148 9.513 -0.275
373 HB2 ASN 48 HB2 ASN 48 69.055 12.032 -1.536
374 HB3 ASN 48 HB1 ASN 48 70.702 11.483 -1.831
375 HD21 ASN 48 HD21 ASN 48 68.697 11.567 -3.931
376 HD22 ASN 48 HD22 ASN 48 68.399 9.966 -4.413
377 H ASP 49 HN ASP 49 69.137 12.614 1.124
378 HA ASP 49 HA ASP 49 71.873 13.110 2.068
379 HB2 ASP 49 HB2 ASP 49 70.452 14.917 0.988
380 HB3 ASP 49 HB1 ASP 49 69.435 14.871 2.427
381 H PHE 50 HN PHE 50 72.405 12.094 3.867
382 HA PHE 50 HA PHE 50 70.798 10.869 5.728
383 HB2 PHE 50 HB2 PHE 50 73.245 10.606 5.677
384 HB3 PHE 50 HB1 PHE 50 73.438 12.262 6.262
385 HD1 PHE 50 HD1 PHE 50 71.956 8.946 7.131
386 HD2 PHE 50 HD2 PHE 50 73.313 12.758 8.584
387 HE1 PHE 50 HE1 PHE 50 71.708 8.148 9.466
388 HE2 PHE 50 HE2 PHE 50 73.064 11.954 10.917
389 HZ PHE 50 HZ PHE 50 72.262 9.650 11.356
Start of MODEL 11
1 H1 MET 1 HT1 MET 1 33.686 -22.160 -9.512
2 H2 MET 1 HT2 MET 1 32.148 -21.472 -9.730
3 H3 MET 1 HT3 MET 1 33.488 -20.846 -10.565
4 HA MET 1 HA MET 1 33.705 -23.148 -11.597
5 HB2 MET 1 HB2 MET 1 32.086 -24.185 -9.995
6 HB3 MET 1 HB1 MET 1 30.801 -23.219 -10.719
7 HG2 MET 1 HG2 MET 1 31.225 -24.266 -12.906
8 HG3 MET 1 HG1 MET 1 32.546 -25.200 -12.213
9 HE1 MET 1 HE1 MET 1 28.976 -24.272 -12.269
10 HE2 MET 1 HE2 MET 1 28.841 -24.483 -10.524
11 HE3 MET 1 HE3 MET 1 28.051 -25.625 -11.608
12 H ALA 2 HN ALA 2 30.587 -21.384 -11.550
13 HA ALA 2 HA ALA 2 31.258 -20.239 -14.178
14 HB1 ALA 2 HB1 ALA 2 28.499 -21.312 -13.739
15 HB2 ALA 2 HB2 ALA 2 29.782 -22.414 -14.240
16 HB3 ALA 2 HB3 ALA 2 29.363 -21.028 -15.250
17 H GLU 3 HN GLU 3 30.019 -18.400 -14.767
18 HA GLU 3 HA GLU 3 29.523 -16.606 -12.631
19 HB2 GLU 3 HB2 GLU 3 30.247 -15.915 -14.912
20 HB3 GLU 3 HB1 GLU 3 28.669 -16.401 -15.532
21 HG2 GLU 3 HG2 GLU 3 27.564 -14.771 -14.087
22 HG3 GLU 3 HG1 GLU 3 29.115 -14.309 -13.387
23 H ALA 4 HN ALA 4 27.617 -15.900 -11.716
24 HA ALA 4 HA ALA 4 25.106 -17.131 -12.644
25 HB1 ALA 4 HB1 ALA 4 24.914 -18.420 -10.827
26 HB2 ALA 4 HB2 ALA 4 25.061 -17.003 -9.788
27 HB3 ALA 4 HB3 ALA 4 26.506 -17.884 -10.288
28 H HIS 5 HN HIS 5 23.243 -15.937 -12.227
29 HA HIS 5 HA HIS 5 23.562 -13.126 -12.140
30 HB2 HIS 5 HB2 HIS 5 21.131 -14.899 -11.857
31 HB3 HIS 5 HB1 HIS 5 21.041 -13.138 -11.913
32 HD2 HIS 5 HD2 HIS 5 21.483 -16.128 -14.354
33 HE1 HIS 5 HE1 HIS 5 21.992 -12.592 -16.607
34 HE2 HIS 5 HE2 HIS 5 21.714 -15.114 -16.748
35 H GLN 6 HN GLN 6 22.520 -15.495 -9.703
36 HA GLN 6 HA GLN 6 21.845 -13.617 -7.692
37 HB2 GLN 6 HB2 GLN 6 22.751 -16.498 -7.535
38 HB3 GLN 6 HB1 GLN 6 22.225 -15.567 -6.132
39 HG2 GLN 6 HG2 GLN 6 20.042 -15.181 -7.189
40 HG3 GLN 6 HG1 GLN 6 20.564 -16.072 -8.618
41 HE21 GLN 6 HE21 GLN 6 18.418 -17.265 -7.680
42 HE22 GLN 6 HE22 GLN 6 18.757 -18.594 -6.681
43 H ALA 7 HN ALA 7 24.829 -15.314 -8.503
44 HA ALA 7 HA ALA 7 26.379 -14.380 -6.327
45 HB1 ALA 7 HB1 ALA 7 28.096 -15.508 -7.325
46 HB2 ALA 7 HB2 ALA 7 27.709 -14.889 -8.931
47 HB3 ALA 7 HB3 ALA 7 26.773 -16.219 -8.250
48 H VAL 8 HN VAL 8 25.742 -13.094 -9.557
49 HA VAL 8 HA VAL 8 27.631 -10.990 -9.509
50 HB VAL 8 HB VAL 8 24.996 -11.277 -10.967
51 HG11 VAL 8 HG11 VAL 8 27.144 -9.153 -11.097
52 HG12 VAL 8 HG12 VAL 8 25.408 -8.933 -10.881
53 HG13 VAL 8 HG13 VAL 8 26.043 -9.455 -12.442
54 HG21 VAL 8 HG21 VAL 8 27.593 -11.279 -12.378
55 HG22 VAL 8 HG22 VAL 8 26.194 -12.334 -12.591
56 HG23 VAL 8 HG23 VAL 8 27.343 -12.645 -11.291
57 H GLY 9 HN GLY 9 24.217 -11.150 -8.571
58 HA2 GLY 9 HA2 GLY 9 23.118 -9.938 -6.917
59 HA3 GLY 9 HA1 GLY 9 24.596 -9.022 -6.647
60 H PHE 10 HN PHE 10 22.479 -7.520 -6.563
61 HA PHE 10 HA PHE 10 22.124 -6.336 -9.245
62 HB2 PHE 10 HB2 PHE 10 20.410 -6.274 -6.759
63 HB3 PHE 10 HB1 PHE 10 20.146 -5.186 -8.123
64 HD1 PHE 10 HD1 PHE 10 19.466 -6.055 -10.320
65 HD2 PHE 10 HD2 PHE 10 19.981 -8.655 -6.941
66 HE1 PHE 10 HE1 PHE 10 18.274 -7.865 -11.527
67 HE2 PHE 10 HE2 PHE 10 18.785 -10.461 -8.150
68 HZ PHE 10 HZ PHE 10 17.933 -10.064 -10.441
69 H ARG 11 HN ARG 11 22.594 -4.210 -9.588
70 HA ARG 11 HA ARG 11 23.075 -2.339 -7.499
71 HB2 ARG 11 HB2 ARG 11 25.141 -3.892 -7.456
72 HB3 ARG 11 HB1 ARG 11 25.582 -3.113 -8.977
73 HG2 ARG 11 HG2 ARG 11 25.507 -0.913 -7.912
74 HG3 ARG 11 HG1 ARG 11 24.979 -1.640 -6.394
75 HD2 ARG 11 HD2 ARG 11 27.103 -2.056 -5.816
76 HD3 ARG 11 HD1 ARG 11 27.349 -2.986 -7.292
77 HE ARG 11 HE ARG 11 27.447 -0.192 -7.842
78 HH11 ARG 11 HH21 ARG 11 29.183 -2.835 -6.452
79 HH12 ARG 11 HH22 ARG 11 30.746 -2.136 -6.726
80 HH21 ARG 11 HH11 ARG 11 29.484 0.736 -8.212
81 HH22 ARG 11 HH12 ARG 11 30.912 -0.111 -7.723
82 HA PRO 12 HA PRO 12 22.089 -0.775 -11.779
83 HB2 PRO 12 HB2 PRO 12 20.434 1.048 -10.133
84 HB3 PRO 12 HB1 PRO 12 19.988 0.121 -11.576
85 HG2 PRO 12 HG2 PRO 12 19.143 -0.552 -9.120
86 HG3 PRO 12 HG1 PRO 12 19.478 -1.759 -10.371
87 HD2 PRO 12 HD2 PRO 12 21.096 -1.055 -7.959
88 HD3 PRO 12 HD1 PRO 12 20.924 -2.615 -8.796
89 H SER 13 HN SER 13 22.963 1.012 -12.721
90 HA SER 13 HA SER 13 24.968 2.451 -11.327
91 HB2 SER 13 HB2 SER 13 25.196 3.730 -13.416
92 HB3 SER 13 HB1 SER 13 25.110 1.998 -13.725
93 HG SER 13 HG SER 13 23.735 3.256 -15.102
94 H LEU 14 HN LEU 14 21.574 2.990 -11.771
95 HA LEU 14 HA LEU 14 21.662 5.831 -11.383
96 HB2 LEU 14 HB2 LEU 14 19.419 3.821 -11.153
97 HB3 LEU 14 HB1 LEU 14 19.188 5.546 -10.896
98 HG LEU 14 HG LEU 14 20.363 4.340 -13.421
99 HD11 LEU 14 HD11 LEU 14 17.550 5.100 -12.660
100 HD12 LEU 14 HD12 LEU 14 18.121 3.621 -13.433
101 HD13 LEU 14 HD13 LEU 14 18.073 5.129 -14.345
102 HD21 LEU 14 HD21 LEU 14 19.910 7.093 -12.424
103 HD22 LEU 14 HD22 LEU 14 19.348 6.802 -14.066
104 HD23 LEU 14 HD23 LEU 14 21.036 6.511 -13.647
105 H THR 15 HN THR 15 21.434 7.009 -9.551
106 HA THR 15 HA THR 15 21.640 7.511 -7.323
107 HB THR 15 HB THR 15 20.037 6.567 -5.912
108 HG1 THR 15 HG1 THR 15 19.417 4.299 -7.230
109 HG21 THR 15 HG21 THR 15 19.243 7.406 -8.280
110 HG22 THR 15 HG22 THR 15 18.092 6.633 -7.188
111 HG23 THR 15 HG23 THR 15 18.811 5.711 -8.509
112 H SER 16 HN SER 16 22.367 6.637 -5.154
113 HA SER 16 HA SER 16 24.817 5.203 -5.541
114 HB2 SER 16 HB2 SER 16 25.182 5.599 -3.179
115 HB3 SER 16 HB1 SER 16 24.540 7.065 -3.917
116 HG SER 16 HG SER 16 22.498 5.540 -3.168
117 H ASP 17 HN ASP 17 25.457 3.339 -4.244
118 HA ASP 17 HA ASP 17 23.356 1.300 -4.235
119 HB2 ASP 17 HB2 ASP 17 25.270 -0.269 -3.925
120 HB3 ASP 17 HB1 ASP 17 25.399 0.708 -5.385
121 H GLY 18 HN GLY 18 24.529 3.482 -2.075
122 HA2 GLY 18 HA2 GLY 18 23.954 3.623 0.193
123 HA3 GLY 18 HA1 GLY 18 23.579 1.903 0.185
124 H ALA 19 HN ALA 19 26.538 2.382 -1.304
125 HA ALA 19 HA ALA 19 28.008 1.091 0.760
126 HB1 ALA 19 HB1 ALA 19 29.801 1.131 -0.716
127 HB2 ALA 19 HB2 ALA 19 29.348 2.702 -1.379
128 HB3 ALA 19 HB3 ALA 19 28.439 1.261 -1.829
129 H GLU 20 HN GLU 20 29.493 1.897 2.230
130 HA GLU 20 HA GLU 20 29.539 4.843 2.521
131 HB2 GLU 20 HB2 GLU 20 29.471 2.714 4.658
132 HB3 GLU 20 HB1 GLU 20 29.837 4.410 4.978
133 HG2 GLU 20 HG2 GLU 20 27.678 5.084 4.046
134 HG3 GLU 20 HG1 GLU 20 27.317 3.410 3.625
135 H VAL 21 HN VAL 21 31.417 5.797 2.469
136 HA VAL 21 HA VAL 21 33.819 4.433 1.909
137 HB VAL 21 HB VAL 21 33.257 7.265 2.808
138 HG11 VAL 21 HG11 VAL 21 35.817 5.851 2.117
139 HG12 VAL 21 HG12 VAL 21 35.509 7.040 3.384
140 HG13 VAL 21 HG13 VAL 21 35.625 7.554 1.700
141 HG21 VAL 21 HG21 VAL 21 32.324 6.737 0.633
142 HG22 VAL 21 HG22 VAL 21 33.828 5.967 0.127
143 HG23 VAL 21 HG23 VAL 21 33.774 7.710 0.384
144 H GLU 22 HN GLU 22 32.569 5.937 4.878
145 HA GLU 22 HA GLU 22 34.873 5.504 6.456
146 HB2 GLU 22 HB2 GLU 22 33.005 7.078 7.027
147 HB3 GLU 22 HB1 GLU 22 32.011 5.677 7.423
148 HG2 GLU 22 HG2 GLU 22 32.977 6.486 9.478
149 HG3 GLU 22 HG1 GLU 22 33.790 4.977 9.075
150 H LEU 23 HN LEU 23 32.007 3.495 5.862
151 HA LEU 23 HA LEU 23 32.548 1.558 7.843
152 HB2 LEU 23 HB2 LEU 23 30.382 1.696 6.654
153 HB3 LEU 23 HB1 LEU 23 31.175 1.195 5.163
154 HG LEU 23 HG LEU 23 31.801 -0.953 6.199
155 HD11 LEU 23 HD11 LEU 23 32.047 -0.691 8.482
156 HD12 LEU 23 HD12 LEU 23 30.411 -1.349 8.443
157 HD13 LEU 23 HD13 LEU 23 30.659 0.390 8.616
158 HD21 LEU 23 HD21 LEU 23 29.601 -1.933 6.222
159 HD22 LEU 23 HD22 LEU 23 29.563 -0.606 5.062
160 HD23 LEU 23 HD23 LEU 23 28.862 -0.395 6.666
161 H SER 24 HN SER 24 33.531 1.825 4.444
162 HA SER 24 HA SER 24 34.856 -0.646 4.239
163 HB2 SER 24 HB2 SER 24 35.750 1.857 2.823
164 HB3 SER 24 HB1 SER 24 35.826 0.193 2.254
165 HG SER 24 HG SER 24 33.320 0.635 2.819
166 H ALA 25 HN ALA 25 36.269 -1.226 5.815
167 HA ALA 25 HA ALA 25 38.178 0.607 6.945
168 HB1 ALA 25 HB1 ALA 25 37.184 -1.994 7.578
169 HB2 ALA 25 HB2 ALA 25 38.211 -0.942 8.551
170 HB3 ALA 25 HB3 ALA 25 38.940 -2.094 7.433
171 HA PRO 26 HA PRO 26 41.047 -2.237 4.092
172 HB2 PRO 26 HB2 PRO 26 39.114 -2.543 1.847
173 HB3 PRO 26 HB1 PRO 26 40.270 -3.711 2.509
174 HG2 PRO 26 HG2 PRO 26 37.689 -3.958 2.996
175 HG3 PRO 26 HG1 PRO 26 38.886 -4.285 4.265
176 HD2 PRO 26 HD2 PRO 26 37.156 -1.857 3.887
177 HD3 PRO 26 HD1 PRO 26 37.574 -2.714 5.387
178 H VAL 27 HN VAL 27 38.814 0.274 2.992
179 HA VAL 27 HA VAL 27 40.342 1.114 0.734
180 HB VAL 27 HB VAL 27 38.292 2.529 2.448
181 HG11 VAL 27 HG11 VAL 27 39.959 3.473 0.132
182 HG12 VAL 27 HG12 VAL 27 39.456 4.356 1.574
183 HG13 VAL 27 HG13 VAL 27 38.296 4.040 0.284
184 HG21 VAL 27 HG21 VAL 27 38.071 1.700 -0.440
185 HG22 VAL 27 HG22 VAL 27 36.780 1.983 0.728
186 HG23 VAL 27 HG23 VAL 27 37.775 0.532 0.847
187 H LEU 28 HN LEU 28 40.215 2.141 4.124
188 HA LEU 28 HA LEU 28 42.116 4.224 3.921
189 HB2 LEU 28 HB2 LEU 28 41.271 2.490 6.253
190 HB3 LEU 28 HB1 LEU 28 42.332 3.886 6.414
191 HG LEU 28 HG LEU 28 39.553 3.997 5.198
192 HD11 LEU 28 HD11 LEU 28 40.440 4.861 7.964
193 HD12 LEU 28 HD12 LEU 28 39.553 3.375 7.623
194 HD13 LEU 28 HD13 LEU 28 38.804 4.942 7.306
195 HD21 LEU 28 HD21 LEU 28 40.299 6.017 4.486
196 HD22 LEU 28 HD22 LEU 28 41.762 5.915 5.464
197 HD23 LEU 28 HD23 LEU 28 40.263 6.502 6.178
198 H GLN 29 HN GLN 29 42.399 0.775 4.657
199 HA GLN 29 HA GLN 29 45.174 0.761 5.250
200 HB2 GLN 29 HB2 GLN 29 43.397 -1.439 4.169
201 HB3 GLN 29 HB1 GLN 29 45.021 -1.676 4.813
202 HG2 GLN 29 HG2 GLN 29 42.721 -0.463 6.369
203 HG3 GLN 29 HG1 GLN 29 43.230 -2.145 6.492
204 HE21 GLN 29 HE21 GLN 29 43.505 0.653 8.159
205 HE22 GLN 29 HE22 GLN 29 45.052 0.449 8.830
206 H GLU 30 HN GLU 30 43.395 0.281 2.181
207 HA GLU 30 HA GLU 30 45.688 -0.437 0.647
208 HB2 GLU 30 HB2 GLU 30 43.363 -0.854 -0.132
209 HB3 GLU 30 HB1 GLU 30 43.133 0.884 -0.317
210 HG2 GLU 30 HG2 GLU 30 44.972 0.966 -1.958
211 HG3 GLU 30 HG1 GLU 30 45.236 -0.763 -1.755
212 H ILE 31 HN ILE 31 44.154 2.690 1.380
213 HA ILE 31 HA ILE 31 45.725 4.196 -0.417
214 HB ILE 31 HB ILE 31 44.266 4.947 2.116
215 HG12 ILE 31 HG12 ILE 31 43.629 5.529 -0.792
216 HG13 ILE 31 HG11 ILE 31 43.004 4.119 0.060
217 HG21 ILE 31 HG21 ILE 31 44.496 7.284 0.889
218 HG22 ILE 31 HG22 ILE 31 45.948 6.544 0.220
219 HG23 ILE 31 HG23 ILE 31 45.770 6.715 1.967
220 HD11 ILE 31 HD11 ILE 31 41.758 5.444 1.574
221 HD12 ILE 31 HD12 ILE 31 41.513 6.224 0.011
222 HD13 ILE 31 HD13 ILE 31 42.658 6.905 1.166
223 H TYR 32 HN TYR 32 46.212 3.391 3.047
224 HA TYR 32 HA TYR 32 48.529 4.973 3.375
225 HB2 TYR 32 HB2 TYR 32 47.367 2.627 4.825
226 HB3 TYR 32 HB1 TYR 32 49.017 3.130 5.197
227 HD1 TYR 32 HD2 TYR 32 45.828 4.939 4.374
228 HD2 TYR 32 HD1 TYR 32 49.129 4.507 7.081
229 HE1 TYR 32 HE2 TYR 32 44.958 6.816 5.730
230 HE2 TYR 32 HE1 TYR 32 48.260 6.398 8.435
231 HH TYR 32 HH TYR 32 46.337 7.637 8.834
232 H LEU 33 HN LEU 33 48.191 1.551 2.411
233 HA LEU 33 HA LEU 33 50.979 1.034 2.220
234 HB2 LEU 33 HB2 LEU 33 48.522 -0.278 1.115
235 HB3 LEU 33 HB1 LEU 33 50.104 -0.773 0.531
236 HG LEU 33 HG LEU 33 49.097 -2.070 2.533
237 HD11 LEU 33 HD11 LEU 33 51.824 -1.168 2.014
238 HD12 LEU 33 HD12 LEU 33 51.237 -2.766 2.474
239 HD13 LEU 33 HD13 LEU 33 51.567 -1.557 3.713
240 HD21 LEU 33 HD21 LEU 33 50.248 0.188 4.180
241 HD22 LEU 33 HD22 LEU 33 49.226 -1.147 4.698
242 HD23 LEU 33 HD23 LEU 33 48.543 0.158 3.746
243 H SER 34 HN SER 34 48.613 2.203 -0.152
244 HA SER 34 HA SER 34 50.336 2.183 -2.398
245 HB2 SER 34 HB2 SER 34 47.954 3.958 -1.799
246 HB3 SER 34 HB1 SER 34 48.739 3.813 -3.369
247 HG SER 34 HG SER 34 48.187 1.377 -2.384
248 H GLY 35 HN GLY 35 49.639 4.649 0.066
249 HA2 GLY 35 HA2 GLY 35 51.159 6.722 -1.110
250 HA3 GLY 35 HA1 GLY 35 50.669 6.627 0.578
251 H LEU 36 HN LEU 36 52.033 4.177 1.230
252 HA LEU 36 HA LEU 36 54.559 5.174 1.956
253 HB2 LEU 36 HB2 LEU 36 53.411 3.391 3.183
254 HB3 LEU 36 HB1 LEU 36 53.568 2.319 1.794
255 HG LEU 36 HG LEU 36 56.033 2.424 1.989
256 HD11 LEU 36 HD11 LEU 36 56.675 3.414 4.409
257 HD12 LEU 36 HD12 LEU 36 55.323 4.479 4.028
258 HD13 LEU 36 HD13 LEU 36 56.717 4.399 2.947
259 HD21 LEU 36 HD21 LEU 36 56.134 0.860 3.687
260 HD22 LEU 36 HD22 LEU 36 54.389 0.907 3.446
261 HD23 LEU 36 HD23 LEU 36 55.120 1.813 4.769
262 H ARG 37 HN ARG 37 53.621 2.941 -0.697
263 HA ARG 37 HA ARG 37 56.285 2.479 -1.559
264 HB2 ARG 37 HB2 ARG 37 53.651 2.284 -3.021
265 HB3 ARG 37 HB1 ARG 37 55.192 1.869 -3.768
266 HG2 ARG 37 HG2 ARG 37 55.596 0.205 -1.956
267 HG3 ARG 37 HG1 ARG 37 54.017 0.601 -1.270
268 HD2 ARG 37 HD2 ARG 37 54.422 -0.374 -4.107
269 HD3 ARG 37 HD1 ARG 37 53.997 -1.430 -2.767
270 HE ARG 37 HE ARG 37 52.258 0.491 -4.092
271 HH11 ARG 37 HH21 ARG 37 52.890 -1.505 -1.336
272 HH12 ARG 37 HH22 ARG 37 51.227 -1.605 -0.856
273 HH21 ARG 37 HH11 ARG 37 50.082 0.363 -3.474
274 HH22 ARG 37 HH12 ARG 37 49.636 -0.551 -2.072
275 H SER 38 HN SER 38 53.873 4.912 -2.420
276 HA SER 38 HA SER 38 55.424 6.163 -4.476
277 HB2 SER 38 HB2 SER 38 53.135 7.301 -2.867
278 HB3 SER 38 HB1 SER 38 53.729 7.899 -4.414
279 HG SER 38 HG SER 38 51.941 6.568 -4.749
280 H TRP 39 HN TRP 39 54.983 6.660 -1.018
281 HA TRP 39 HA TRP 39 56.174 9.184 -0.803
282 HB2 TRP 39 HB2 TRP 39 54.801 8.114 0.957
283 HB3 TRP 39 HB1 TRP 39 56.124 7.000 1.286
284 HD1 TRP 39 HD1 TRP 39 56.130 10.857 0.756
285 HE1 TRP 39 HE1 TRP 39 57.342 11.933 2.748
286 HE3 TRP 39 HE3 TRP 39 57.114 6.691 3.568
287 HZ2 TRP 39 HZ2 TRP 39 58.552 11.155 5.211
288 HZ3 TRP 39 HZ3 TRP 39 58.287 6.898 5.738
289 HH2 TRP 39 HH2 TRP 39 59.009 9.122 6.563
290 H LYS 40 HN LYS 40 57.684 5.948 -0.768
291 HA LYS 40 HA LYS 40 60.228 6.767 0.108
292 HB2 LYS 40 HB2 LYS 40 59.395 4.517 -1.717
293 HB3 LYS 40 HB1 LYS 40 61.037 4.731 -1.111
294 HG2 LYS 40 HG2 LYS 40 60.214 4.607 1.206
295 HG3 LYS 40 HG1 LYS 40 58.561 4.420 0.613
296 HD2 LYS 40 HD2 LYS 40 59.179 2.327 -0.516
297 HD3 LYS 40 HD1 LYS 40 60.849 2.513 0.027
298 HE2 LYS 40 HE2 LYS 40 60.094 2.432 2.376
299 HE3 LYS 40 HE1 LYS 40 58.429 2.237 1.836
300 HZ1 LYS 40 HZ1 LYS 40 60.540 0.298 1.982
301 HZ2 LYS 40 HZ2 LYS 40 59.767 0.315 0.470
302 HZ3 LYS 40 HZ3 LYS 40 58.863 0.065 1.886
303 H ARG 41 HN ARG 41 58.848 6.617 -3.193
304 HA ARG 41 HA ARG 41 61.229 7.352 -4.524
305 HB2 ARG 41 HB2 ARG 41 58.316 7.660 -5.286
306 HB3 ARG 41 HB1 ARG 41 59.654 8.038 -6.370
307 HG2 ARG 41 HG2 ARG 41 60.482 5.752 -6.226
308 HG3 ARG 41 HG1 ARG 41 59.252 5.350 -5.029
309 HD2 ARG 41 HD2 ARG 41 58.549 4.543 -7.225
310 HD3 ARG 41 HD1 ARG 41 57.484 5.843 -6.701
311 HE ARG 41 HE ARG 41 59.624 6.866 -8.289
312 HH11 ARG 41 HH21 ARG 41 56.661 5.079 -8.422
313 HH12 ARG 41 HH22 ARG 41 56.283 5.559 -10.043
314 HH21 ARG 41 HH11 ARG 41 59.127 7.498 -10.422
315 HH22 ARG 41 HH12 ARG 41 57.673 6.927 -11.171
316 H HIS 42 HN HIS 42 58.658 9.166 -3.075
317 HA HIS 42 HA HIS 42 59.610 11.758 -3.980
318 HB2 HIS 42 HB2 HIS 42 57.418 10.934 -2.062
319 HB3 HIS 42 HB1 HIS 42 57.795 12.611 -2.459
320 HD2 HIS 42 HD2 HIS 42 57.060 13.413 -5.086
321 HE1 HIS 42 HE1 HIS 42 55.173 9.784 -6.147
322 HE2 HIS 42 HE2 HIS 42 55.563 12.196 -6.850
323 H LEU 43 HN LEU 43 59.849 9.750 -1.152
324 HA LEU 43 HA LEU 43 60.992 11.772 0.574
325 HB2 LEU 43 HB2 LEU 43 59.538 9.902 1.399
326 HB3 LEU 43 HB1 LEU 43 60.803 8.780 0.940
327 HG LEU 43 HG LEU 43 62.360 9.907 2.515
328 HD11 LEU 43 HD11 LEU 43 60.724 11.278 4.251
329 HD12 LEU 43 HD12 LEU 43 60.103 11.779 2.684
330 HD13 LEU 43 HD13 LEU 43 61.800 12.027 3.079
331 HD21 LEU 43 HD21 LEU 43 60.884 9.302 4.621
332 HD22 LEU 43 HD22 LEU 43 61.441 8.044 3.515
333 HD23 LEU 43 HD23 LEU 43 59.796 8.665 3.389
334 H SER 44 HN SER 44 62.263 9.672 -1.848
335 HA SER 44 HA SER 44 64.702 8.917 -0.724
336 HB2 SER 44 HB2 SER 44 64.124 7.932 -2.780
337 HB3 SER 44 HB1 SER 44 63.872 9.491 -3.557
338 HG SER 44 HG SER 44 66.352 8.527 -2.557
339 H ARG 45 HN ARG 45 64.035 11.973 -2.577
340 HA ARG 45 HA ARG 45 66.690 12.836 -2.557
341 HB2 ARG 45 HB2 ARG 45 64.873 13.861 -3.903
342 HB3 ARG 45 HB1 ARG 45 64.203 14.557 -2.429
343 HG2 ARG 45 HG2 ARG 45 66.254 15.834 -2.060
344 HG3 ARG 45 HG1 ARG 45 66.995 15.095 -3.482
345 HD2 ARG 45 HD2 ARG 45 66.130 17.290 -4.102
346 HD3 ARG 45 HD1 ARG 45 65.153 16.050 -4.879
347 HE ARG 45 HE ARG 45 63.358 16.648 -3.506
348 HH11 ARG 45 HH21 ARG 45 66.314 18.145 -2.544
349 HH12 ARG 45 HH22 ARG 45 65.561 19.269 -1.463
350 HH21 ARG 45 HH11 ARG 45 62.354 18.114 -2.080
351 HH22 ARG 45 HH12 ARG 45 63.320 19.247 -1.196
352 H PHE 46 HN PHE 46 64.102 13.503 -0.268
353 HA PHE 46 HA PHE 46 65.583 15.124 1.532
354 HB2 PHE 46 HB2 PHE 46 63.078 13.489 1.870
355 HB3 PHE 46 HB1 PHE 46 63.727 14.525 3.138
356 HD1 PHE 46 HD2 PHE 46 63.776 16.969 2.871
357 HD2 PHE 46 HD1 PHE 46 62.100 14.413 -0.150
358 HE1 PHE 46 HE2 PHE 46 62.673 18.928 1.824
359 HE2 PHE 46 HE1 PHE 46 61.003 16.373 -1.198
360 HZ PHE 46 HZ PHE 46 61.292 18.627 -0.216
361 H TRP 47 HN TRP 47 64.960 11.649 1.408
362 HA TRP 47 HA TRP 47 66.061 11.003 3.936
363 HB2 TRP 47 HB2 TRP 47 64.613 9.426 2.885
364 HB3 TRP 47 HB1 TRP 47 65.618 9.362 1.440
365 HD1 TRP 47 HD1 TRP 47 65.561 8.274 5.111
366 HE1 TRP 47 HE1 TRP 47 67.265 6.361 5.427
367 HE3 TRP 47 HE3 TRP 47 67.765 8.273 0.501
368 HZ2 TRP 47 HZ2 TRP 47 69.282 5.005 3.926
369 HZ3 TRP 47 HZ3 TRP 47 69.576 6.658 -0.028
370 HH2 TRP 47 HH2 TRP 47 70.339 5.032 1.681
371 H ASN 48 HN ASN 48 67.444 11.135 0.691
372 HA ASN 48 HA ASN 48 69.970 10.046 1.320
373 HB2 ASN 48 HB2 ASN 48 69.172 10.266 -0.981
374 HB3 ASN 48 HB1 ASN 48 69.182 12.021 -0.835
375 HD21 ASN 48 HD21 ASN 48 70.856 12.462 -2.364
376 HD22 ASN 48 HD22 ASN 48 72.455 11.926 -2.160
377 H ASP 49 HN ASP 49 68.721 13.355 1.360
378 HA ASP 49 HA ASP 49 71.199 14.622 1.990
379 HB2 ASP 49 HB2 ASP 49 68.302 15.423 2.179
380 HB3 ASP 49 HB1 ASP 49 69.577 16.471 2.797
381 H PHE 50 HN PHE 50 72.096 15.151 3.944
382 HA PHE 50 HA PHE 50 70.659 14.810 6.421
383 HB2 PHE 50 HB2 PHE 50 71.181 12.474 5.958
384 HB3 PHE 50 HB1 PHE 50 72.877 12.880 5.710
385 HD1 PHE 50 HD1 PHE 50 70.143 13.100 8.265
386 HD2 PHE 50 HD2 PHE 50 74.369 12.888 7.516
387 HE1 PHE 50 HE1 PHE 50 70.567 12.877 10.701
388 HE2 PHE 50 HE2 PHE 50 74.791 12.674 9.948
389 HZ PHE 50 HZ PHE 50 72.892 12.660 11.542
Start of MODEL 12
1 H1 MET 1 HT1 MET 1 32.470 25.538 20.152
2 H2 MET 1 HT2 MET 1 32.591 24.498 18.813
3 H3 MET 1 HT3 MET 1 32.535 26.181 18.587
4 HA MET 1 HA MET 1 34.719 24.713 19.956
5 HB2 MET 1 HB2 MET 1 34.479 25.936 17.195
6 HB3 MET 1 HB1 MET 1 36.014 25.453 17.915
7 HG2 MET 1 HG2 MET 1 35.170 23.140 18.154
8 HG3 MET 1 HG1 MET 1 33.643 23.626 17.411
9 HE1 MET 1 HE1 MET 1 33.654 22.085 15.241
10 HE2 MET 1 HE2 MET 1 34.802 21.336 16.350
11 HE3 MET 1 HE3 MET 1 35.216 21.511 14.646
12 H ALA 2 HN ALA 2 35.461 27.417 18.032
13 HA ALA 2 HA ALA 2 36.444 28.964 20.200
14 HB1 ALA 2 HB1 ALA 2 37.364 29.117 17.914
15 HB2 ALA 2 HB2 ALA 2 36.835 30.694 18.495
16 HB3 ALA 2 HB3 ALA 2 35.840 29.804 17.344
17 H GLU 3 HN GLU 3 33.473 29.072 18.307
18 HA GLU 3 HA GLU 3 32.476 31.531 19.305
19 HB2 GLU 3 HB2 GLU 3 31.063 29.104 18.160
20 HB3 GLU 3 HB1 GLU 3 30.267 30.631 18.524
21 HG2 GLU 3 HG2 GLU 3 30.763 30.854 16.238
22 HG3 GLU 3 HG1 GLU 3 32.094 31.700 17.013
23 H ALA 4 HN ALA 4 32.125 28.172 20.331
24 HA ALA 4 HA ALA 4 31.509 28.996 23.049
25 HB1 ALA 4 HB1 ALA 4 29.521 27.354 21.470
26 HB2 ALA 4 HB2 ALA 4 29.306 29.047 21.912
27 HB3 ALA 4 HB3 ALA 4 29.378 27.810 23.169
28 H HIS 5 HN HIS 5 31.677 27.271 24.579
29 HA HIS 5 HA HIS 5 33.591 25.272 23.939
30 HB2 HIS 5 HB2 HIS 5 33.303 26.237 26.186
31 HB3 HIS 5 HB1 HIS 5 31.717 25.474 26.305
32 HD2 HIS 5 HD2 HIS 5 31.876 22.926 27.411
33 HE1 HIS 5 HE1 HIS 5 35.952 22.208 26.562
34 HE2 HIS 5 HE2 HIS 5 33.883 21.273 27.703
35 H GLN 6 HN GLN 6 30.081 25.193 24.417
36 HA GLN 6 HA GLN 6 29.744 22.392 24.188
37 HB2 GLN 6 HB2 GLN 6 28.075 23.908 25.187
38 HB3 GLN 6 HB1 GLN 6 27.759 24.599 23.596
39 HG2 GLN 6 HG2 GLN 6 27.073 22.367 22.769
40 HG3 GLN 6 HG1 GLN 6 27.383 21.688 24.365
41 HE21 GLN 6 HE21 GLN 6 25.508 21.468 25.559
42 HE22 GLN 6 HE22 GLN 6 24.148 22.479 25.454
43 H ALA 7 HN ALA 7 29.686 25.016 21.836
44 HA ALA 7 HA ALA 7 29.905 25.007 19.551
45 HB1 ALA 7 HB1 ALA 7 31.580 23.113 20.248
46 HB2 ALA 7 HB2 ALA 7 31.105 23.272 18.556
47 HB3 ALA 7 HB3 ALA 7 30.357 22.039 19.572
48 H VAL 8 HN VAL 8 28.132 25.296 18.373
49 HA VAL 8 HA VAL 8 26.165 23.100 18.174
50 HB VAL 8 HB VAL 8 25.131 24.699 19.617
51 HG11 VAL 8 HG11 VAL 8 26.670 26.573 19.209
52 HG12 VAL 8 HG12 VAL 8 24.997 27.101 19.027
53 HG13 VAL 8 HG13 VAL 8 25.986 26.796 17.600
54 HG21 VAL 8 HG21 VAL 8 23.993 23.918 17.329
55 HG22 VAL 8 HG22 VAL 8 24.022 25.653 17.012
56 HG23 VAL 8 HG23 VAL 8 23.181 25.028 18.431
57 H GLY 9 HN GLY 9 25.520 22.629 16.142
58 HA2 GLY 9 HA2 GLY 9 25.121 22.918 13.866
59 HA3 GLY 9 HA1 GLY 9 25.772 24.549 13.988
60 H PHE 10 HN PHE 10 27.852 22.367 15.465
61 HA PHE 10 HA PHE 10 29.433 21.985 12.996
62 HB2 PHE 10 HB2 PHE 10 30.431 22.940 15.690
63 HB3 PHE 10 HB1 PHE 10 31.471 22.473 14.344
64 HD1 PHE 10 HD2 PHE 10 31.419 23.763 12.213
65 HD2 PHE 10 HD1 PHE 10 29.282 25.059 15.698
66 HE1 PHE 10 HE2 PHE 10 31.192 26.025 11.222
67 HE2 PHE 10 HE1 PHE 10 29.053 27.327 14.705
68 HZ PHE 10 HZ PHE 10 30.006 27.805 12.468
69 H ARG 11 HN ARG 11 30.755 20.131 12.948
70 HA ARG 11 HA ARG 11 30.881 18.352 15.199
71 HB2 ARG 11 HB2 ARG 11 28.708 18.124 13.311
72 HB3 ARG 11 HB1 ARG 11 29.712 16.674 13.262
73 HG2 ARG 11 HG2 ARG 11 29.546 16.561 15.772
74 HG3 ARG 11 HG1 ARG 11 28.397 17.901 15.700
75 HD2 ARG 11 HD2 ARG 11 27.089 16.483 14.021
76 HD3 ARG 11 HD1 ARG 11 28.113 15.139 14.514
77 HE ARG 11 HE ARG 11 26.932 16.429 16.776
78 HH11 ARG 11 HH21 ARG 11 26.326 14.251 14.149
79 HH12 ARG 11 HH22 ARG 11 25.064 13.393 14.968
80 HH21 ARG 11 HH11 ARG 11 25.281 15.303 17.858
81 HH22 ARG 11 HH12 ARG 11 24.483 13.980 17.076
82 HA PRO 12 HA PRO 12 34.468 16.764 13.148
83 HB2 PRO 12 HB2 PRO 12 33.320 14.013 13.030
84 HB3 PRO 12 HB1 PRO 12 34.851 14.565 13.734
85 HG2 PRO 12 HG2 PRO 12 32.798 13.899 15.278
86 HG3 PRO 12 HG1 PRO 12 33.863 15.254 15.691
87 HD2 PRO 12 HD2 PRO 12 31.087 15.314 14.578
88 HD3 PRO 12 HD1 PRO 12 31.876 16.416 15.730
89 H SER 13 HN SER 13 31.440 15.436 11.838
90 HA SER 13 HA SER 13 32.412 14.765 9.265
91 HB2 SER 13 HB2 SER 13 30.025 14.743 8.624
92 HB3 SER 13 HB1 SER 13 30.313 13.866 10.123
93 HG SER 13 HG SER 13 28.897 15.181 10.948
94 H LEU 14 HN LEU 14 31.010 17.711 10.607
95 HA LEU 14 HA LEU 14 30.691 19.130 8.187
96 HB2 LEU 14 HB2 LEU 14 30.958 19.926 11.070
97 HB3 LEU 14 HB1 LEU 14 30.957 21.165 9.819
98 HG LEU 14 HG LEU 14 28.678 20.656 10.778
99 HD11 LEU 14 HD11 LEU 14 28.308 19.782 8.007
100 HD12 LEU 14 HD12 LEU 14 29.382 21.172 8.149
101 HD13 LEU 14 HD13 LEU 14 27.749 21.248 8.808
102 HD21 LEU 14 HD21 LEU 14 27.628 18.572 10.417
103 HD22 LEU 14 HD22 LEU 14 29.264 18.133 10.909
104 HD23 LEU 14 HD23 LEU 14 28.812 18.085 9.205
105 H THR 15 HN THR 15 33.434 18.899 10.444
106 HA THR 15 HA THR 15 35.066 20.806 9.117
107 HB THR 15 HB THR 15 36.926 19.716 10.363
108 HG1 THR 15 HG1 THR 15 35.437 18.138 11.900
109 HG21 THR 15 HG21 THR 15 34.351 20.476 11.711
110 HG22 THR 15 HG22 THR 15 35.845 21.402 11.564
111 HG23 THR 15 HG23 THR 15 35.768 20.022 12.659
112 H SER 16 HN SER 16 34.508 17.377 8.678
113 HA SER 16 HA SER 16 36.662 17.100 6.743
114 HB2 SER 16 HB2 SER 16 34.524 15.156 7.648
115 HB3 SER 16 HB1 SER 16 35.870 14.763 6.582
116 HG SER 16 HG SER 16 37.049 14.566 8.302
117 H ASP 17 HN ASP 17 33.532 18.252 6.704
118 HA ASP 17 HA ASP 17 32.007 18.699 5.057
119 HB2 ASP 17 HB2 ASP 17 34.533 18.469 3.414
120 HB3 ASP 17 HB1 ASP 17 32.982 18.964 2.738
121 H GLY 18 HN GLY 18 32.357 15.933 5.892
122 HA2 GLY 18 HA2 GLY 18 31.259 13.965 5.322
123 HA3 GLY 18 HA1 GLY 18 30.895 14.659 3.746
124 H ALA 19 HN ALA 19 34.128 15.117 4.224
125 HA ALA 19 HA ALA 19 34.914 13.226 2.264
126 HB1 ALA 19 HB1 ALA 19 36.702 14.547 4.305
127 HB2 ALA 19 HB2 ALA 19 36.098 15.377 2.871
128 HB3 ALA 19 HB3 ALA 19 37.148 13.971 2.699
129 H GLU 20 HN GLU 20 35.001 13.254 5.782
130 HA GLU 20 HA GLU 20 36.496 10.847 6.080
131 HB2 GLU 20 HB2 GLU 20 36.295 12.546 7.876
132 HB3 GLU 20 HB1 GLU 20 34.576 12.181 8.015
133 HG2 GLU 20 HG2 GLU 20 35.105 9.858 8.626
134 HG3 GLU 20 HG1 GLU 20 36.826 10.196 8.451
135 H VAL 21 HN VAL 21 35.830 8.759 6.222
136 HA VAL 21 HA VAL 21 32.937 8.212 5.898
137 HB VAL 21 HB VAL 21 35.326 6.859 4.640
138 HG11 VAL 21 HG11 VAL 21 33.483 5.338 3.669
139 HG12 VAL 21 HG12 VAL 21 32.485 5.907 5.009
140 HG13 VAL 21 HG13 VAL 21 33.985 5.042 5.333
141 HG21 VAL 21 HG21 VAL 21 32.893 7.566 3.107
142 HG22 VAL 21 HG22 VAL 21 34.591 7.783 2.685
143 HG23 VAL 21 HG23 VAL 21 33.793 8.940 3.751
144 H GLU 22 HN GLU 22 32.050 6.897 7.372
145 HA GLU 22 HA GLU 22 33.526 6.088 9.656
146 HB2 GLU 22 HB2 GLU 22 30.741 5.393 8.715
147 HB3 GLU 22 HB1 GLU 22 31.402 4.894 10.272
148 HG2 GLU 22 HG2 GLU 22 31.778 7.222 10.899
149 HG3 GLU 22 HG1 GLU 22 31.219 7.763 9.319
150 H LEU 23 HN LEU 23 32.231 4.254 6.891
151 HA LEU 23 HA LEU 23 33.793 1.918 7.817
152 HB2 LEU 23 HB2 LEU 23 31.308 1.624 7.797
153 HB3 LEU 23 HB1 LEU 23 31.331 1.917 6.061
154 HG LEU 23 HG LEU 23 32.865 -0.020 5.772
155 HD11 LEU 23 HD11 LEU 23 34.054 -0.416 7.699
156 HD12 LEU 23 HD12 LEU 23 32.734 -1.550 7.988
157 HD13 LEU 23 HD13 LEU 23 32.714 0.040 8.750
158 HD21 LEU 23 HD21 LEU 23 31.182 -1.722 6.090
159 HD22 LEU 23 HD22 LEU 23 30.341 -0.225 5.688
160 HD23 LEU 23 HD23 LEU 23 30.399 -0.784 7.360
161 H SER 24 HN SER 24 35.431 1.307 6.588
162 HA SER 24 HA SER 24 35.617 0.788 3.956
163 HB2 SER 24 HB2 SER 24 35.065 2.830 3.029
164 HB3 SER 24 HB1 SER 24 35.689 3.742 4.399
165 HG SER 24 HG SER 24 36.868 3.514 2.183
166 H ALA 25 HN ALA 25 36.816 0.689 6.763
167 HA ALA 25 HA ALA 25 39.402 1.565 6.882
168 HB1 ALA 25 HB1 ALA 25 37.828 -0.355 8.269
169 HB2 ALA 25 HB2 ALA 25 39.297 0.457 8.810
170 HB3 ALA 25 HB3 ALA 25 39.406 -1.075 7.945
171 HA PRO 26 HA PRO 26 40.911 -2.575 4.732
172 HB2 PRO 26 HB2 PRO 26 38.665 -2.841 2.799
173 HB3 PRO 26 HB1 PRO 26 39.596 -4.103 3.628
174 HG2 PRO 26 HG2 PRO 26 37.102 -3.507 4.358
175 HG3 PRO 26 HG1 PRO 26 38.337 -3.959 5.546
176 HD2 PRO 26 HD2 PRO 26 37.205 -1.255 4.944
177 HD3 PRO 26 HD1 PRO 26 37.784 -1.920 6.485
178 H VAL 27 HN VAL 27 38.836 -0.342 2.839
179 HA VAL 27 HA VAL 27 40.605 -0.194 0.598
180 HB VAL 27 HB VAL 27 38.434 1.688 1.555
181 HG11 VAL 27 HG11 VAL 27 40.243 1.716 -0.855
182 HG12 VAL 27 HG12 VAL 27 39.778 3.055 0.196
183 HG13 VAL 27 HG13 VAL 27 38.616 2.392 -0.952
184 HG21 VAL 27 HG21 VAL 27 37.054 0.639 -0.092
185 HG22 VAL 27 HG22 VAL 27 37.835 -0.680 0.781
186 HG23 VAL 27 HG23 VAL 27 38.428 -0.202 -0.811
187 H LEU 28 HN LEU 28 40.091 1.768 3.491
188 HA LEU 28 HA LEU 28 41.914 3.824 2.871
189 HB2 LEU 28 HB2 LEU 28 40.933 2.765 5.526
190 HB3 LEU 28 HB1 LEU 28 41.959 4.190 5.382
191 HG LEU 28 HG LEU 28 39.315 3.855 3.940
192 HD11 LEU 28 HD11 LEU 28 38.732 5.740 5.720
193 HD12 LEU 28 HD12 LEU 28 39.987 4.923 6.653
194 HD13 LEU 28 HD13 LEU 28 38.562 4.032 6.121
195 HD21 LEU 28 HD21 LEU 28 39.727 6.513 4.094
196 HD22 LEU 28 HD22 LEU 28 40.326 5.541 2.753
197 HD23 LEU 28 HD23 LEU 28 41.406 5.982 4.073
198 H GLN 29 HN GLN 29 42.372 0.751 4.591
199 HA GLN 29 HA GLN 29 45.054 1.220 5.353
200 HB2 GLN 29 HB2 GLN 29 43.595 -0.564 6.299
201 HB3 GLN 29 HB1 GLN 29 43.720 -1.434 4.772
202 HG2 GLN 29 HG2 GLN 29 46.179 -1.539 5.037
203 HG3 GLN 29 HG1 GLN 29 46.045 -0.689 6.574
204 HE21 GLN 29 HE21 GLN 29 46.027 -2.055 8.341
205 HE22 GLN 29 HE22 GLN 29 45.475 -3.661 8.335
206 H GLU 30 HN GLU 30 43.638 -0.272 2.439
207 HA GLU 30 HA GLU 30 46.102 -1.084 1.281
208 HB2 GLU 30 HB2 GLU 30 43.872 -1.941 0.565
209 HB3 GLU 30 HB1 GLU 30 43.504 -0.352 -0.103
210 HG2 GLU 30 HG2 GLU 30 45.383 -0.518 -1.639
211 HG3 GLU 30 HG1 GLU 30 45.854 -2.066 -0.936
212 H ILE 31 HN ILE 31 44.169 1.919 1.021
213 HA ILE 31 HA ILE 31 45.812 3.140 -0.957
214 HB ILE 31 HB ILE 31 44.011 4.339 1.154
215 HG12 ILE 31 HG12 ILE 31 43.630 4.105 -1.844
216 HG13 ILE 31 HG11 ILE 31 43.040 2.890 -0.711
217 HG21 ILE 31 HG21 ILE 31 44.165 6.349 -0.467
218 HG22 ILE 31 HG22 ILE 31 45.633 5.581 -1.073
219 HG23 ILE 31 HG23 ILE 31 45.527 6.075 0.616
220 HD11 ILE 31 HD11 ILE 31 42.304 5.833 -0.627
221 HD12 ILE 31 HD12 ILE 31 41.668 4.568 0.425
222 HD13 ILE 31 HD13 ILE 31 41.290 4.555 -1.297
223 H TYR 32 HN TYR 32 45.864 3.227 2.611
224 HA TYR 32 HA TYR 32 47.954 5.097 2.885
225 HB2 TYR 32 HB2 TYR 32 46.595 4.441 4.795
226 HB3 TYR 32 HB1 TYR 32 47.183 2.783 4.678
227 HD1 TYR 32 HD1 TYR 32 48.336 6.306 5.178
228 HD2 TYR 32 HD2 TYR 32 49.189 2.139 5.771
229 HE1 TYR 32 HE1 TYR 32 50.285 6.902 6.585
230 HE2 TYR 32 HE2 TYR 32 51.144 2.741 7.174
231 HH TYR 32 HH TYR 32 51.778 6.087 8.080
232 H LEU 33 HN LEU 33 48.044 1.530 2.709
233 HA LEU 33 HA LEU 33 50.832 1.253 3.009
234 HB2 LEU 33 HB2 LEU 33 49.293 -0.651 3.249
235 HB3 LEU 33 HB1 LEU 33 48.868 -0.540 1.544
236 HG LEU 33 HG LEU 33 51.191 -1.054 0.912
237 HD11 LEU 33 HD11 LEU 33 51.580 -0.792 3.873
238 HD12 LEU 33 HD12 LEU 33 52.623 -0.254 2.557
239 HD13 LEU 33 HD13 LEU 33 52.576 -1.959 3.004
240 HD21 LEU 33 HD21 LEU 33 49.534 -2.897 1.358
241 HD22 LEU 33 HD22 LEU 33 50.182 -3.020 2.993
242 HD23 LEU 33 HD23 LEU 33 51.210 -3.385 1.609
243 H SER 34 HN SER 34 48.797 1.646 0.115
244 HA SER 34 HA SER 34 50.877 1.357 -1.798
245 HB2 SER 34 HB2 SER 34 49.332 2.492 -3.349
246 HB3 SER 34 HB1 SER 34 48.499 1.243 -2.427
247 HG SER 34 HG SER 34 48.247 3.995 -2.372
248 H GLY 35 HN GLY 35 49.741 4.050 0.173
249 HA2 GLY 35 HA2 GLY 35 51.021 6.157 -1.193
250 HA3 GLY 35 HA1 GLY 35 50.563 6.160 0.507
251 H LEU 36 HN LEU 36 52.221 3.881 1.285
252 HA LEU 36 HA LEU 36 54.616 5.280 1.843
253 HB2 LEU 36 HB2 LEU 36 53.792 2.404 2.103
254 HB3 LEU 36 HB1 LEU 36 55.479 2.848 2.340
255 HG LEU 36 HG LEU 36 54.719 4.548 4.043
256 HD11 LEU 36 HD11 LEU 36 52.402 4.181 4.949
257 HD12 LEU 36 HD12 LEU 36 52.083 3.153 3.555
258 HD13 LEU 36 HD13 LEU 36 52.427 4.866 3.322
259 HD21 LEU 36 HD21 LEU 36 54.133 1.604 4.386
260 HD22 LEU 36 HD22 LEU 36 53.993 2.739 5.730
261 HD23 LEU 36 HD23 LEU 36 55.546 2.509 4.927
262 H ARG 37 HN ARG 37 53.866 2.826 -0.628
263 HA ARG 37 HA ARG 37 56.507 2.565 -1.586
264 HB2 ARG 37 HB2 ARG 37 54.677 0.993 -2.137
265 HB3 ARG 37 HB1 ARG 37 53.926 2.242 -3.132
266 HG2 ARG 37 HG2 ARG 37 55.925 2.341 -4.556
267 HG3 ARG 37 HG1 ARG 37 56.717 1.134 -3.543
268 HD2 ARG 37 HD2 ARG 37 55.784 0.035 -5.509
269 HD3 ARG 37 HD1 ARG 37 54.878 -0.464 -4.083
270 HE ARG 37 HE ARG 37 53.638 1.802 -5.235
271 HH11 ARG 37 HH21 ARG 37 54.261 -1.553 -5.850
272 HH12 ARG 37 HH22 ARG 37 52.788 -1.807 -6.727
273 HH21 ARG 37 HH11 ARG 37 51.709 1.472 -6.411
274 HH22 ARG 37 HH12 ARG 37 51.355 -0.096 -7.054
275 H SER 38 HN SER 38 53.861 4.726 -2.522
276 HA SER 38 HA SER 38 55.267 5.984 -4.671
277 HB2 SER 38 HB2 SER 38 53.436 7.650 -4.526
278 HB3 SER 38 HB1 SER 38 52.828 5.997 -4.584
279 HG SER 38 HG SER 38 52.625 7.881 -2.621
280 H TRP 39 HN TRP 39 54.854 6.632 -1.241
281 HA TRP 39 HA TRP 39 55.838 9.263 -1.155
282 HB2 TRP 39 HB2 TRP 39 55.833 7.070 0.915
283 HB3 TRP 39 HB1 TRP 39 56.308 8.731 1.253
284 HD1 TRP 39 HD1 TRP 39 53.631 9.045 -1.196
285 HE1 TRP 39 HE1 TRP 39 51.369 9.496 -0.064
286 HE3 TRP 39 HE3 TRP 39 54.758 7.740 3.629
287 HZ2 TRP 39 HZ2 TRP 39 50.181 9.322 2.515
288 HZ3 TRP 39 HZ3 TRP 39 53.028 7.894 5.394
289 HH2 TRP 39 HH2 TRP 39 50.744 8.685 4.844
290 H LYS 40 HN LYS 40 57.548 6.173 -1.178
291 HA LYS 40 HA LYS 40 60.034 7.057 -0.282
292 HB2 LYS 40 HB2 LYS 40 59.448 4.689 -0.730
293 HB3 LYS 40 HB1 LYS 40 59.520 5.028 -2.460
294 HG2 LYS 40 HG2 LYS 40 61.872 5.684 -2.269
295 HG3 LYS 40 HG1 LYS 40 61.822 5.439 -0.522
296 HD2 LYS 40 HD2 LYS 40 61.300 3.044 -0.887
297 HD3 LYS 40 HD1 LYS 40 61.387 3.301 -2.631
298 HE2 LYS 40 HE2 LYS 40 63.733 4.021 -2.421
299 HE3 LYS 40 HE1 LYS 40 63.657 3.783 -0.675
300 HZ1 LYS 40 HZ1 LYS 40 62.735 1.444 -1.840
301 HZ2 LYS 40 HZ2 LYS 40 64.203 1.676 -1.018
302 HZ3 LYS 40 HZ3 LYS 40 64.128 1.874 -2.704
303 H ARG 41 HN ARG 41 58.625 7.268 -3.611
304 HA ARG 41 HA ARG 41 61.002 8.206 -4.800
305 HB2 ARG 41 HB2 ARG 41 58.096 8.633 -5.494
306 HB3 ARG 41 HB1 ARG 41 59.416 9.231 -6.499
307 HG2 ARG 41 HG2 ARG 41 60.296 6.959 -6.741
308 HG3 ARG 41 HG1 ARG 41 59.036 6.337 -5.678
309 HD2 ARG 41 HD2 ARG 41 58.421 5.956 -8.013
310 HD3 ARG 41 HD1 ARG 41 57.317 7.119 -7.285
311 HE ARG 41 HE ARG 41 58.218 8.783 -8.667
312 HH11 ARG 41 HH21 ARG 41 60.020 5.834 -8.835
313 HH12 ARG 41 HH22 ARG 41 60.943 6.312 -10.221
314 HH21 ARG 41 HH11 ARG 41 59.452 9.431 -10.478
315 HH22 ARG 41 HH12 ARG 41 60.642 8.355 -11.133
316 H HIS 42 HN HIS 42 58.352 9.811 -3.297
317 HA HIS 42 HA HIS 42 59.236 12.525 -3.640
318 HB2 HIS 42 HB2 HIS 42 57.171 11.234 -1.856
319 HB3 HIS 42 HB1 HIS 42 57.459 12.973 -1.884
320 HD2 HIS 42 HD2 HIS 42 56.463 14.303 -4.159
321 HE1 HIS 42 HE1 HIS 42 54.849 10.900 -6.060
322 HE2 HIS 42 HE2 HIS 42 54.995 13.431 -6.132
323 H LEU 43 HN LEU 43 59.604 10.081 -1.196
324 HA LEU 43 HA LEU 43 60.821 11.820 0.771
325 HB2 LEU 43 HB2 LEU 43 59.407 9.683 1.212
326 HB3 LEU 43 HB1 LEU 43 60.896 8.824 0.850
327 HG LEU 43 HG LEU 43 62.056 10.216 2.597
328 HD11 LEU 43 HD11 LEU 43 59.943 10.960 4.242
329 HD12 LEU 43 HD12 LEU 43 59.415 11.479 2.642
330 HD13 LEU 43 HD13 LEU 43 60.946 12.055 3.294
331 HD21 LEU 43 HD21 LEU 43 60.768 9.047 4.528
332 HD22 LEU 43 HD22 LEU 43 61.510 8.031 3.290
333 HD23 LEU 43 HD23 LEU 43 59.777 8.360 3.243
334 H SER 44 HN SER 44 61.931 10.331 -2.046
335 HA SER 44 HA SER 44 64.385 9.242 -1.341
336 HB2 SER 44 HB2 SER 44 63.661 8.901 -3.557
337 HB3 SER 44 HB1 SER 44 63.434 10.624 -3.839
338 HG SER 44 HG SER 44 65.847 10.625 -3.309
339 H ARG 45 HN ARG 45 63.725 12.719 -2.162
340 HA ARG 45 HA ARG 45 66.431 13.474 -2.032
341 HB2 ARG 45 HB2 ARG 45 63.916 15.038 -1.461
342 HB3 ARG 45 HB1 ARG 45 65.520 15.766 -1.456
343 HG2 ARG 45 HG2 ARG 45 65.872 15.114 -3.780
344 HG3 ARG 45 HG1 ARG 45 64.330 14.257 -3.806
345 HD2 ARG 45 HD2 ARG 45 64.059 16.453 -4.851
346 HD3 ARG 45 HD1 ARG 45 63.159 16.404 -3.338
347 HE ARG 45 HE ARG 45 65.765 17.435 -2.875
348 HH11 ARG 45 HH21 ARG 45 62.719 18.177 -4.339
349 HH12 ARG 45 HH22 ARG 45 62.875 19.890 -4.128
350 HH21 ARG 45 HH11 ARG 45 65.980 19.693 -2.592
351 HH22 ARG 45 HH12 ARG 45 64.722 20.745 -3.150
352 H PHE 46 HN PHE 46 63.940 13.563 0.502
353 HA PHE 46 HA PHE 46 65.644 14.510 2.556
354 HB2 PHE 46 HB2 PHE 46 63.029 12.998 2.652
355 HB3 PHE 46 HB1 PHE 46 63.833 13.656 4.077
356 HD1 PHE 46 HD1 PHE 46 62.053 14.473 0.963
357 HD2 PHE 46 HD2 PHE 46 64.000 16.050 4.445
358 HE1 PHE 46 HE1 PHE 46 61.044 16.700 0.520
359 HE2 PHE 46 HE2 PHE 46 62.994 18.273 4.004
360 HZ PHE 46 HZ PHE 46 61.512 18.597 2.045
361 H TRP 47 HN TRP 47 64.684 11.287 1.529
362 HA TRP 47 HA TRP 47 65.795 9.843 3.678
363 HB2 TRP 47 HB2 TRP 47 64.241 8.717 2.269
364 HB3 TRP 47 HB1 TRP 47 65.194 9.066 0.829
365 HD1 TRP 47 HD1 TRP 47 66.823 7.273 0.094
366 HE1 TRP 47 HE1 TRP 47 67.862 5.173 1.172
367 HE3 TRP 47 HE3 TRP 47 65.013 7.730 4.850
368 HZ2 TRP 47 HZ2 TRP 47 67.915 3.856 3.719
369 HZ3 TRP 47 HZ3 TRP 47 65.565 6.042 6.578
370 HH2 TRP 47 HH2 TRP 47 67.014 4.105 6.020
371 H ASN 48 HN ASN 48 67.179 10.873 0.577
372 HA ASN 48 HA ASN 48 69.642 9.497 0.832
373 HB2 ASN 48 HB2 ASN 48 68.885 10.459 -1.288
374 HB3 ASN 48 HB1 ASN 48 69.006 12.080 -0.612
375 HD21 ASN 48 HD21 ASN 48 70.676 12.710 -2.167
376 HD22 ASN 48 HD22 ASN 48 72.253 12.088 -2.067
377 H ASP 49 HN ASP 49 68.592 12.730 1.862
378 HA ASP 49 HA ASP 49 71.212 13.245 3.065
379 HB2 ASP 49 HB2 ASP 49 70.048 15.080 1.849
380 HB3 ASP 49 HB1 ASP 49 68.732 14.992 3.021
381 H PHE 50 HN PHE 50 71.521 12.196 4.922
382 HA PHE 50 HA PHE 50 69.684 11.182 6.694
383 HB2 PHE 50 HB2 PHE 50 72.424 12.337 7.254
384 HB3 PHE 50 HB1 PHE 50 71.496 11.387 8.416
385 HD1 PHE 50 HD2 PHE 50 70.922 9.021 7.933
386 HD2 PHE 50 HD1 PHE 50 73.498 11.304 5.367
387 HE1 PHE 50 HE2 PHE 50 71.706 6.928 6.864
388 HE2 PHE 50 HE1 PHE 50 74.280 9.213 4.291
389 HZ PHE 50 HZ PHE 50 73.383 7.022 5.040
Start of MODEL 13
1 H1 MET 1 HT1 MET 1 18.124 -30.796 -4.522
2 H2 MET 1 HT2 MET 1 18.899 -30.000 -5.808
3 H3 MET 1 HT3 MET 1 17.312 -30.579 -5.996
4 HA MET 1 HA MET 1 16.680 -28.513 -5.512
5 HB2 MET 1 HB2 MET 1 17.622 -29.481 -2.796
6 HB3 MET 1 HB1 MET 1 16.612 -28.057 -3.034
7 HG2 MET 1 HG2 MET 1 14.897 -29.454 -4.137
8 HG3 MET 1 HG1 MET 1 15.906 -30.878 -3.892
9 HE1 MET 1 HE1 MET 1 13.015 -31.010 -2.931
10 HE2 MET 1 HE2 MET 1 13.252 -31.730 -1.339
11 HE3 MET 1 HE3 MET 1 14.265 -32.239 -2.689
12 H ALA 2 HN ALA 2 19.702 -28.997 -3.660
13 HA ALA 2 HA ALA 2 20.450 -26.251 -3.708
14 HB1 ALA 2 HB1 ALA 2 21.954 -28.805 -3.153
15 HB2 ALA 2 HB2 ALA 2 21.435 -27.563 -2.014
16 HB3 ALA 2 HB3 ALA 2 22.752 -27.231 -3.136
17 H GLU 3 HN GLU 3 21.835 -25.128 -5.047
18 HA GLU 3 HA GLU 3 22.861 -26.545 -7.424
19 HB2 GLU 3 HB2 GLU 3 21.315 -23.944 -7.368
20 HB3 GLU 3 HB1 GLU 3 22.227 -24.518 -8.768
21 HG2 GLU 3 HG2 GLU 3 20.873 -26.555 -8.851
22 HG3 GLU 3 HG1 GLU 3 20.003 -26.062 -7.397
23 H ALA 4 HN ALA 4 24.788 -25.760 -8.271
24 HA ALA 4 HA ALA 4 26.820 -24.690 -8.278
25 HB1 ALA 4 HB1 ALA 4 25.143 -22.669 -8.206
26 HB2 ALA 4 HB2 ALA 4 26.861 -22.403 -7.910
27 HB3 ALA 4 HB3 ALA 4 25.736 -22.497 -6.554
28 H HIS 5 HN HIS 5 28.144 -25.955 -7.090
29 HA HIS 5 HA HIS 5 27.928 -26.374 -4.295
30 HB2 HIS 5 HB2 HIS 5 30.230 -26.799 -6.207
31 HB3 HIS 5 HB1 HIS 5 30.238 -27.337 -4.527
32 HD2 HIS 5 HD2 HIS 5 29.000 -28.569 -7.944
33 HE1 HIS 5 HE1 HIS 5 27.039 -30.941 -5.059
34 HE2 HIS 5 HE2 HIS 5 27.534 -30.687 -7.535
35 H GLN 6 HN GLN 6 29.904 -24.193 -6.263
36 HA GLN 6 HA GLN 6 31.412 -23.154 -4.071
37 HB2 GLN 6 HB2 GLN 6 30.903 -22.103 -6.863
38 HB3 GLN 6 HB1 GLN 6 32.009 -21.349 -5.717
39 HG2 GLN 6 HG2 GLN 6 33.319 -23.409 -5.572
40 HG3 GLN 6 HG1 GLN 6 32.191 -24.231 -6.647
41 HE21 GLN 6 HE21 GLN 6 35.135 -22.627 -6.626
42 HE22 GLN 6 HE22 GLN 6 35.197 -22.172 -8.260
43 H ALA 7 HN ALA 7 30.991 -21.506 -2.728
44 HA ALA 7 HA ALA 7 28.765 -19.688 -3.300
45 HB1 ALA 7 HB1 ALA 7 28.852 -20.677 -0.515
46 HB2 ALA 7 HB2 ALA 7 28.285 -21.835 -1.716
47 HB3 ALA 7 HB3 ALA 7 27.466 -20.286 -1.532
48 H VAL 8 HN VAL 8 28.894 -17.704 -2.238
49 HA VAL 8 HA VAL 8 31.452 -17.176 -0.847
50 HB VAL 8 HB VAL 8 29.963 -15.540 -2.896
51 HG11 VAL 8 HG11 VAL 8 31.863 -13.865 -2.381
52 HG12 VAL 8 HG12 VAL 8 32.019 -14.725 -0.846
53 HG13 VAL 8 HG13 VAL 8 30.497 -13.928 -1.262
54 HG21 VAL 8 HG21 VAL 8 31.944 -17.379 -3.208
55 HG22 VAL 8 HG22 VAL 8 32.905 -15.929 -2.918
56 HG23 VAL 8 HG23 VAL 8 31.759 -15.970 -4.256
57 H GLY 9 HN GLY 9 31.304 -16.262 1.117
58 HA2 GLY 9 HA2 GLY 9 28.793 -15.901 2.390
59 HA3 GLY 9 HA1 GLY 9 30.360 -15.438 3.046
60 H PHE 10 HN PHE 10 31.213 -13.553 1.192
61 HA PHE 10 HA PHE 10 29.085 -11.495 1.223
62 HB2 PHE 10 HB2 PHE 10 31.947 -11.177 2.144
63 HB3 PHE 10 HB1 PHE 10 30.828 -9.836 1.890
64 HD1 PHE 10 HD1 PHE 10 28.750 -9.661 3.261
65 HD2 PHE 10 HD2 PHE 10 31.781 -12.592 4.081
66 HE1 PHE 10 HE1 PHE 10 27.789 -10.023 5.518
67 HE2 PHE 10 HE2 PHE 10 30.819 -12.953 6.342
68 HZ PHE 10 HZ PHE 10 28.826 -11.667 7.056
69 H ARG 11 HN ARG 11 29.145 -9.995 -0.435
70 HA ARG 11 HA ARG 11 30.034 -10.790 -2.931
71 HB2 ARG 11 HB2 ARG 11 30.104 -7.957 -2.935
72 HB3 ARG 11 HB1 ARG 11 28.794 -9.006 -3.478
73 HG2 ARG 11 HG2 ARG 11 27.836 -9.047 -1.241
74 HG3 ARG 11 HG1 ARG 11 29.210 -8.138 -0.602
75 HD2 ARG 11 HD2 ARG 11 27.347 -6.616 -0.963
76 HD3 ARG 11 HD1 ARG 11 28.621 -6.257 -2.125
77 HE ARG 11 HE ARG 11 26.779 -8.103 -3.254
78 HH11 ARG 11 HH21 ARG 11 27.140 -4.800 -2.299
79 HH12 ARG 11 HH22 ARG 11 26.014 -4.194 -3.468
80 HH21 ARG 11 HH11 ARG 11 25.296 -7.318 -4.792
81 HH22 ARG 11 HH12 ARG 11 24.973 -5.618 -4.880
82 HA PRO 12 HA PRO 12 34.345 -9.978 -3.093
83 HB2 PRO 12 HB2 PRO 12 34.729 -9.123 -5.630
84 HB3 PRO 12 HB1 PRO 12 34.231 -10.783 -5.261
85 HG2 PRO 12 HG2 PRO 12 32.549 -8.455 -6.092
86 HG3 PRO 12 HG1 PRO 12 32.544 -10.119 -6.714
87 HD2 PRO 12 HD2 PRO 12 30.723 -9.286 -4.883
88 HD3 PRO 12 HD1 PRO 12 31.358 -10.947 -4.883
89 H SER 13 HN SER 13 35.938 -8.369 -2.943
90 HA SER 13 HA SER 13 34.977 -5.746 -2.244
91 HB2 SER 13 HB2 SER 13 37.434 -5.299 -1.862
92 HB3 SER 13 HB1 SER 13 36.779 -6.653 -0.941
93 HG SER 13 HG SER 13 38.684 -7.310 -1.902
94 H LEU 14 HN LEU 14 36.003 -3.757 -3.137
95 HA LEU 14 HA LEU 14 36.266 -3.986 -6.070
96 HB2 LEU 14 HB2 LEU 14 35.536 -1.585 -4.370
97 HB3 LEU 14 HB1 LEU 14 35.597 -1.618 -6.134
98 HG LEU 14 HG LEU 14 33.786 -3.346 -4.416
99 HD11 LEU 14 HD11 LEU 14 33.545 -0.629 -5.268
100 HD12 LEU 14 HD12 LEU 14 32.353 -1.614 -4.421
101 HD13 LEU 14 HD13 LEU 14 32.387 -1.591 -6.184
102 HD21 LEU 14 HD21 LEU 14 32.718 -3.519 -6.852
103 HD22 LEU 14 HD22 LEU 14 34.019 -4.601 -6.352
104 HD23 LEU 14 HD23 LEU 14 34.379 -3.192 -7.352
105 H THR 15 HN THR 15 38.153 -3.490 -7.015
106 HA THR 15 HA THR 15 40.226 -2.151 -5.373
107 HB THR 15 HB THR 15 41.883 -3.356 -6.701
108 HG1 THR 15 HG1 THR 15 40.791 -5.130 -8.011
109 HG21 THR 15 HG21 THR 15 41.614 -5.423 -5.642
110 HG22 THR 15 HG22 THR 15 39.866 -5.431 -5.893
111 HG23 THR 15 HG23 THR 15 40.578 -4.376 -4.673
112 H SER 16 HN SER 16 38.086 -1.454 -7.700
113 HA SER 16 HA SER 16 39.739 -0.229 -9.696
114 HB2 SER 16 HB2 SER 16 37.739 0.475 -10.687
115 HB3 SER 16 HB1 SER 16 37.254 -0.997 -9.850
116 HG SER 16 HG SER 16 37.113 1.059 -8.159
117 H ASP 17 HN ASP 17 39.831 2.069 -10.130
118 HA ASP 17 HA ASP 17 40.454 3.574 -7.751
119 HB2 ASP 17 HB2 ASP 17 41.174 5.316 -9.312
120 HB3 ASP 17 HB1 ASP 17 41.828 3.744 -9.789
121 H GLY 18 HN GLY 18 39.531 5.565 -7.138
122 HA2 GLY 18 HA2 GLY 18 37.901 7.286 -7.226
123 HA3 GLY 18 HA1 GLY 18 36.956 6.302 -8.339
124 H ALA 19 HN ALA 19 37.855 4.137 -6.121
125 HA ALA 19 HA ALA 19 35.288 4.006 -4.888
126 HB1 ALA 19 HB1 ALA 19 36.562 2.309 -3.381
127 HB2 ALA 19 HB2 ALA 19 37.891 2.546 -4.519
128 HB3 ALA 19 HB3 ALA 19 36.338 1.933 -5.089
129 H GLU 20 HN GLU 20 34.627 4.590 -2.854
130 HA GLU 20 HA GLU 20 36.440 5.486 -0.831
131 HB2 GLU 20 HB2 GLU 20 36.531 7.430 -2.370
132 HB3 GLU 20 HB1 GLU 20 34.782 7.594 -2.237
133 HG2 GLU 20 HG2 GLU 20 35.765 9.165 -0.699
134 HG3 GLU 20 HG1 GLU 20 35.078 7.867 0.266
135 H VAL 21 HN VAL 21 35.261 4.051 0.462
136 HA VAL 21 HA VAL 21 32.523 4.953 1.144
137 HB VAL 21 HB VAL 21 33.621 2.140 0.961
138 HG11 VAL 21 HG11 VAL 21 31.255 1.550 1.773
139 HG12 VAL 21 HG12 VAL 21 31.150 3.221 2.326
140 HG13 VAL 21 HG13 VAL 21 32.378 2.150 2.990
141 HG21 VAL 21 HG21 VAL 21 32.427 3.652 -0.953
142 HG22 VAL 21 HG22 VAL 21 31.003 2.957 -0.177
143 HG23 VAL 21 HG23 VAL 21 32.244 1.900 -0.854
144 H GLU 22 HN GLU 22 32.175 5.383 3.247
145 HA GLU 22 HA GLU 22 34.345 5.590 5.059
146 HB2 GLU 22 HB2 GLU 22 32.342 7.040 5.121
147 HB3 GLU 22 HB1 GLU 22 31.375 5.663 5.641
148 HG2 GLU 22 HG2 GLU 22 32.752 5.428 7.657
149 HG3 GLU 22 HG1 GLU 22 33.774 6.760 7.129
150 H LEU 23 HN LEU 23 31.783 3.178 4.684
151 HA LEU 23 HA LEU 23 32.221 1.790 7.096
152 HB2 LEU 23 HB2 LEU 23 30.216 1.449 5.729
153 HB3 LEU 23 HB1 LEU 23 31.196 0.764 4.440
154 HG LEU 23 HG LEU 23 31.863 -1.098 5.898
155 HD11 LEU 23 HD11 LEU 23 30.369 -1.186 8.098
156 HD12 LEU 23 HD12 LEU 23 30.430 0.568 7.931
157 HD13 LEU 23 HD13 LEU 23 31.925 -0.355 8.093
158 HD21 LEU 23 HD21 LEU 23 29.876 -1.514 4.637
159 HD22 LEU 23 HD22 LEU 23 28.893 -0.523 5.717
160 HD23 LEU 23 HD23 LEU 23 29.535 -2.073 6.274
161 H SER 24 HN SER 24 33.636 1.337 3.866
162 HA SER 24 HA SER 24 35.110 -0.989 4.489
163 HB2 SER 24 HB2 SER 24 35.900 1.068 2.436
164 HB3 SER 24 HB1 SER 24 36.182 -0.675 2.408
165 HG SER 24 HG SER 24 33.676 -0.579 2.630
166 H ALA 25 HN ALA 25 36.424 -0.908 6.274
167 HA ALA 25 HA ALA 25 38.098 1.347 6.869
168 HB1 ALA 25 HB1 ALA 25 39.031 -1.061 8.112
169 HB2 ALA 25 HB2 ALA 25 37.272 -0.995 8.223
170 HB3 ALA 25 HB3 ALA 25 38.249 0.335 8.853
171 HA PRO 26 HA PRO 26 41.368 -1.949 5.102
172 HB2 PRO 26 HB2 PRO 26 39.635 -3.089 2.984
173 HB3 PRO 26 HB1 PRO 26 40.809 -3.902 4.034
174 HG2 PRO 26 HG2 PRO 26 38.206 -4.185 4.415
175 HG3 PRO 26 HG1 PRO 26 39.316 -4.057 5.792
176 HD2 PRO 26 HD2 PRO 26 37.475 -1.982 4.644
177 HD3 PRO 26 HD1 PRO 26 37.870 -2.327 6.339
178 H VAL 27 HN VAL 27 39.047 -0.125 3.164
179 HA VAL 27 HA VAL 27 40.686 0.125 0.855
180 HB VAL 27 HB VAL 27 38.445 1.855 2.008
181 HG11 VAL 27 HG11 VAL 27 40.257 2.254 -0.334
182 HG12 VAL 27 HG12 VAL 27 39.426 3.450 0.660
183 HG13 VAL 27 HG13 VAL 27 38.538 2.574 -0.583
184 HG21 VAL 27 HG21 VAL 27 38.429 0.174 -0.502
185 HG22 VAL 27 HG22 VAL 27 37.051 0.760 0.427
186 HG23 VAL 27 HG23 VAL 27 38.064 -0.534 1.064
187 H LEU 28 HN LEU 28 40.130 2.091 3.808
188 HA LEU 28 HA LEU 28 42.015 4.177 3.124
189 HB2 LEU 28 HB2 LEU 28 41.175 3.159 5.846
190 HB3 LEU 28 HB1 LEU 28 42.183 4.587 5.649
191 HG LEU 28 HG LEU 28 39.391 4.238 4.472
192 HD11 LEU 28 HD11 LEU 28 39.031 6.188 6.209
193 HD12 LEU 28 HD12 LEU 28 40.429 5.461 6.995
194 HD13 LEU 28 HD13 LEU 28 38.967 4.510 6.745
195 HD21 LEU 28 HD21 LEU 28 40.273 5.854 3.083
196 HD22 LEU 28 HD22 LEU 28 41.518 6.319 4.241
197 HD23 LEU 28 HD23 LEU 28 39.863 6.897 4.446
198 H GLN 29 HN GLN 29 42.463 1.078 4.781
199 HA GLN 29 HA GLN 29 45.170 1.444 5.472
200 HB2 GLN 29 HB2 GLN 29 43.633 -1.086 4.870
201 HB3 GLN 29 HB1 GLN 29 45.280 -1.064 5.499
202 HG2 GLN 29 HG2 GLN 29 44.564 0.172 7.473
203 HG3 GLN 29 HG1 GLN 29 42.927 0.297 6.825
204 HE21 GLN 29 HE21 GLN 29 42.741 -0.868 9.147
205 HE22 GLN 29 HE22 GLN 29 42.695 -2.561 9.069
206 H GLU 30 HN GLU 30 43.656 0.128 2.527
207 HA GLU 30 HA GLU 30 46.089 -0.642 1.261
208 HB2 GLU 30 HB2 GLU 30 43.374 0.052 0.133
209 HB3 GLU 30 HB1 GLU 30 44.701 -0.533 -0.856
210 HG2 GLU 30 HG2 GLU 30 44.808 -2.586 0.455
211 HG3 GLU 30 HG1 GLU 30 43.553 -2.002 1.522
212 H ILE 31 HN ILE 31 44.216 2.398 1.226
213 HA ILE 31 HA ILE 31 45.807 3.661 -0.745
214 HB ILE 31 HB ILE 31 44.109 4.802 1.488
215 HG12 ILE 31 HG12 ILE 31 43.644 4.741 -1.512
216 HG13 ILE 31 HG11 ILE 31 43.050 3.484 -0.427
217 HG21 ILE 31 HG21 ILE 31 45.678 6.137 -0.731
218 HG22 ILE 31 HG22 ILE 31 45.679 6.518 0.993
219 HG23 ILE 31 HG23 ILE 31 44.271 6.910 0.005
220 HD11 ILE 31 HD11 ILE 31 41.800 5.158 0.870
221 HD12 ILE 31 HD12 ILE 31 41.323 5.194 -0.826
222 HD13 ILE 31 HD13 ILE 31 42.404 6.430 -0.194
223 H TYR 32 HN TYR 32 45.988 3.578 2.809
224 HA TYR 32 HA TYR 32 48.167 5.335 3.088
225 HB2 TYR 32 HB2 TYR 32 46.827 4.649 4.993
226 HB3 TYR 32 HB1 TYR 32 47.333 2.970 4.783
227 HD1 TYR 32 HD2 TYR 32 48.620 6.404 5.445
228 HD2 TYR 32 HD1 TYR 32 49.333 2.180 5.754
229 HE1 TYR 32 HE2 TYR 32 50.624 6.847 6.840
230 HE2 TYR 32 HE1 TYR 32 51.350 2.618 7.133
231 HH TYR 32 HH TYR 32 51.972 5.549 8.598
232 H LEU 33 HN LEU 33 48.058 1.786 2.729
233 HA LEU 33 HA LEU 33 50.852 1.371 2.903
234 HB2 LEU 33 HB2 LEU 33 48.646 -0.235 1.595
235 HB3 LEU 33 HB1 LEU 33 50.316 -0.796 1.676
236 HG LEU 33 HG LEU 33 48.677 0.046 4.093
237 HD11 LEU 33 HD11 LEU 33 49.282 -2.745 3.080
238 HD12 LEU 33 HD12 LEU 33 47.715 -1.952 2.973
239 HD13 LEU 33 HD13 LEU 33 48.401 -2.345 4.551
240 HD21 LEU 33 HD21 LEU 33 50.843 0.144 4.879
241 HD22 LEU 33 HD22 LEU 33 51.452 -0.974 3.659
242 HD23 LEU 33 HD23 LEU 33 50.581 -1.590 5.061
243 H SER 34 HN SER 34 48.718 1.980 0.137
244 HA SER 34 HA SER 34 50.701 1.631 -1.872
245 HB2 SER 34 HB2 SER 34 49.101 2.826 -3.329
246 HB3 SER 34 HB1 SER 34 48.316 1.558 -2.392
247 HG SER 34 HG SER 34 48.128 4.329 -2.198
248 H GLY 35 HN GLY 35 49.661 4.381 0.080
249 HA2 GLY 35 HA2 GLY 35 51.007 6.404 -1.382
250 HA3 GLY 35 HA1 GLY 35 50.510 6.503 0.305
251 H LEU 36 HN LEU 36 52.070 4.229 1.225
252 HA LEU 36 HA LEU 36 54.497 5.528 1.840
253 HB2 LEU 36 HB2 LEU 36 53.686 2.623 2.003
254 HB3 LEU 36 HB1 LEU 36 55.203 3.244 2.646
255 HG LEU 36 HG LEU 36 52.477 4.317 3.429
256 HD11 LEU 36 HD11 LEU 36 54.058 2.013 4.427
257 HD12 LEU 36 HD12 LEU 36 52.316 2.296 4.485
258 HD13 LEU 36 HD13 LEU 36 53.378 3.079 5.658
259 HD21 LEU 36 HD21 LEU 36 53.827 6.005 4.157
260 HD22 LEU 36 HD22 LEU 36 55.280 5.018 4.079
261 HD23 LEU 36 HD23 LEU 36 54.208 4.893 5.469
262 H ARG 37 HN ARG 37 53.711 3.055 -0.606
263 HA ARG 37 HA ARG 37 56.376 2.683 -1.489
264 HB2 ARG 37 HB2 ARG 37 53.724 2.300 -2.881
265 HB3 ARG 37 HB1 ARG 37 55.273 1.869 -3.610
266 HG2 ARG 37 HG2 ARG 37 55.750 0.331 -1.784
267 HG3 ARG 37 HG1 ARG 37 54.275 0.807 -0.952
268 HD2 ARG 37 HD2 ARG 37 53.890 -1.290 -2.137
269 HD3 ARG 37 HD1 ARG 37 52.955 -0.001 -2.896
270 HE ARG 37 HE ARG 37 55.480 -0.230 -4.173
271 HH11 ARG 37 HH21 ARG 37 52.444 -1.830 -3.761
272 HH12 ARG 37 HH22 ARG 37 52.480 -2.600 -5.312
273 HH21 ARG 37 HH11 ARG 37 55.531 -1.223 -6.220
274 HH22 ARG 37 HH12 ARG 37 54.235 -2.262 -6.702
275 H SER 38 HN SER 38 53.831 4.947 -2.401
276 HA SER 38 HA SER 38 55.253 6.165 -4.570
277 HB2 SER 38 HB2 SER 38 52.848 6.974 -2.957
278 HB3 SER 38 HB1 SER 38 53.507 7.982 -4.239
279 HG SER 38 HG SER 38 52.234 5.491 -4.363
280 H TRP 39 HN TRP 39 54.930 6.843 -1.097
281 HA TRP 39 HA TRP 39 56.096 9.404 -1.160
282 HB2 TRP 39 HB2 TRP 39 55.794 7.388 1.049
283 HB3 TRP 39 HB1 TRP 39 56.645 8.910 1.300
284 HD1 TRP 39 HD1 TRP 39 53.354 7.525 1.689
285 HE1 TRP 39 HE1 TRP 39 51.529 9.335 1.676
286 HE3 TRP 39 HE3 TRP 39 56.027 11.473 -0.152
287 HZ2 TRP 39 HZ2 TRP 39 51.232 12.095 0.991
288 HZ3 TRP 39 HZ3 TRP 39 54.945 13.672 -0.473
289 HH2 TRP 39 HH2 TRP 39 52.553 13.991 0.093
290 H LYS 40 HN LYS 40 57.592 6.193 -0.990
291 HA LYS 40 HA LYS 40 60.127 6.979 -0.135
292 HB2 LYS 40 HB2 LYS 40 59.387 4.628 -0.417
293 HB3 LYS 40 HB1 LYS 40 59.482 4.836 -2.165
294 HG2 LYS 40 HG2 LYS 40 61.877 5.364 -1.987
295 HG3 LYS 40 HG1 LYS 40 61.786 5.203 -0.230
296 HD2 LYS 40 HD2 LYS 40 61.095 2.841 -0.493
297 HD3 LYS 40 HD1 LYS 40 61.212 3.013 -2.245
298 HE2 LYS 40 HE2 LYS 40 63.267 1.992 -1.376
299 HE3 LYS 40 HE1 LYS 40 63.614 3.604 -2.009
300 HZ1 LYS 40 HZ1 LYS 40 63.906 4.463 0.076
301 HZ2 LYS 40 HZ2 LYS 40 64.469 2.879 0.331
302 HZ3 LYS 40 HZ3 LYS 40 62.903 3.317 0.826
303 H ARG 41 HN ARG 41 58.811 6.887 -3.506
304 HA ARG 41 HA ARG 41 61.229 7.681 -4.714
305 HB2 ARG 41 HB2 ARG 41 59.294 6.763 -5.956
306 HB3 ARG 41 HB1 ARG 41 58.405 8.257 -5.648
307 HG2 ARG 41 HG2 ARG 41 60.103 9.550 -6.846
308 HG3 ARG 41 HG1 ARG 41 61.056 8.089 -7.111
309 HD2 ARG 41 HD2 ARG 41 59.770 8.561 -9.120
310 HD3 ARG 41 HD1 ARG 41 59.117 7.114 -8.356
311 HE ARG 41 HE ARG 41 57.722 9.404 -7.427
312 HH11 ARG 41 HH21 ARG 41 58.192 7.442 -10.235
313 HH12 ARG 41 HH22 ARG 41 56.604 7.727 -10.866
314 HH21 ARG 41 HH11 ARG 41 55.652 9.795 -8.257
315 HH22 ARG 41 HH12 ARG 41 55.171 9.058 -9.745
316 H HIS 42 HN HIS 42 58.499 9.480 -3.537
317 HA HIS 42 HA HIS 42 59.450 12.114 -4.186
318 HB2 HIS 42 HB2 HIS 42 57.273 11.124 -2.347
319 HB3 HIS 42 HB1 HIS 42 57.605 12.836 -2.614
320 HD2 HIS 42 HD2 HIS 42 56.730 13.840 -5.099
321 HE1 HIS 42 HE1 HIS 42 55.173 10.200 -6.557
322 HE2 HIS 42 HE2 HIS 42 55.323 12.693 -6.983
323 H LEU 43 HN LEU 43 59.648 10.066 -1.397
324 HA LEU 43 HA LEU 43 60.735 12.061 0.388
325 HB2 LEU 43 HB2 LEU 43 59.227 10.195 1.121
326 HB3 LEU 43 HB1 LEU 43 60.520 9.063 0.749
327 HG LEU 43 HG LEU 43 61.977 10.223 2.415
328 HD11 LEU 43 HD11 LEU 43 61.204 12.426 2.610
329 HD12 LEU 43 HD12 LEU 43 60.542 11.683 4.061
330 HD13 LEU 43 HD13 LEU 43 59.513 11.932 2.653
331 HD21 LEU 43 HD21 LEU 43 60.604 9.511 4.436
332 HD22 LEU 43 HD22 LEU 43 60.820 8.284 3.186
333 HD23 LEU 43 HD23 LEU 43 59.297 9.164 3.305
334 H SER 44 HN SER 44 61.988 10.185 -2.083
335 HA SER 44 HA SER 44 64.359 9.117 -1.174
336 HB2 SER 44 HB2 SER 44 63.867 10.472 -3.828
337 HB3 SER 44 HB1 SER 44 65.188 9.360 -3.473
338 HG SER 44 HG SER 44 63.832 7.806 -3.834
339 H ARG 45 HN ARG 45 63.874 12.569 -2.183
340 HA ARG 45 HA ARG 45 66.587 13.236 -2.131
341 HB2 ARG 45 HB2 ARG 45 64.143 14.897 -1.554
342 HB3 ARG 45 HB1 ARG 45 65.770 15.581 -1.627
343 HG2 ARG 45 HG2 ARG 45 66.039 14.728 -3.921
344 HG3 ARG 45 HG1 ARG 45 64.432 13.997 -3.849
345 HD2 ARG 45 HD2 ARG 45 63.432 16.231 -3.535
346 HD3 ARG 45 HD1 ARG 45 65.034 16.958 -3.599
347 HE ARG 45 HE ARG 45 63.527 15.865 -5.853
348 HH11 ARG 45 HH21 ARG 45 66.524 17.080 -4.582
349 HH12 ARG 45 HH22 ARG 45 67.167 17.499 -6.132
350 HH21 ARG 45 HH11 ARG 45 64.368 16.414 -7.878
351 HH22 ARG 45 HH12 ARG 45 65.941 17.126 -8.002
352 H PHE 46 HN PHE 46 64.218 13.507 0.505
353 HA PHE 46 HA PHE 46 66.080 14.449 2.439
354 HB2 PHE 46 HB2 PHE 46 63.403 13.091 2.733
355 HB3 PHE 46 HB1 PHE 46 64.315 13.744 4.088
356 HD1 PHE 46 HD2 PHE 46 64.810 16.174 4.222
357 HD2 PHE 46 HD1 PHE 46 62.262 14.543 1.170
358 HE1 PHE 46 HE2 PHE 46 63.932 18.443 3.741
359 HE2 PHE 46 HE1 PHE 46 61.386 16.809 0.687
360 HZ PHE 46 HZ PHE 46 62.220 18.761 1.968
361 H TRP 47 HN TRP 47 64.942 11.249 1.525
362 HA TRP 47 HA TRP 47 66.099 9.803 3.664
363 HB2 TRP 47 HB2 TRP 47 64.353 8.882 2.188
364 HB3 TRP 47 HB1 TRP 47 65.504 8.865 0.849
365 HD1 TRP 47 HD1 TRP 47 64.775 7.198 4.207
366 HE1 TRP 47 HE1 TRP 47 66.094 4.993 4.344
367 HE3 TRP 47 HE3 TRP 47 67.595 7.604 -0.030
368 HZ2 TRP 47 HZ2 TRP 47 68.099 3.581 2.854
369 HZ3 TRP 47 HZ3 TRP 47 69.199 5.818 -0.645
370 HH2 TRP 47 HH2 TRP 47 69.450 3.812 0.788
371 H ASN 48 HN ASN 48 67.307 10.681 0.455
372 HA ASN 48 HA ASN 48 69.704 9.195 0.539
373 HB2 ASN 48 HB2 ASN 48 68.844 11.658 -0.968
374 HB3 ASN 48 HB1 ASN 48 70.476 11.020 -1.124
375 HD21 ASN 48 HD21 ASN 48 69.572 8.160 -0.860
376 HD22 ASN 48 HD22 ASN 48 68.799 7.800 -2.332
377 H ASP 49 HN ASP 49 68.920 12.485 1.590
378 HA ASP 49 HA ASP 49 71.568 13.232 2.274
379 HB2 ASP 49 HB2 ASP 49 68.866 14.241 3.169
380 HB3 ASP 49 HB1 ASP 49 70.386 14.963 3.696
381 H PHE 50 HN PHE 50 72.684 13.119 4.175
382 HA PHE 50 HA PHE 50 72.004 10.996 5.971
383 HB2 PHE 50 HB2 PHE 50 74.204 13.073 6.009
384 HB3 PHE 50 HB1 PHE 50 74.065 11.769 7.193
385 HD1 PHE 50 HD2 PHE 50 74.316 9.407 6.491
386 HD2 PHE 50 HD1 PHE 50 74.881 12.649 3.727
387 HE1 PHE 50 HE2 PHE 50 75.442 7.865 4.910
388 HE2 PHE 50 HE1 PHE 50 76.006 11.105 2.148
389 HZ PHE 50 HZ PHE 50 76.285 8.713 2.735
Start of MODEL 14
1 H1 MET 1 HT1 MET 1 2.645 -5.747 12.814
2 H2 MET 1 HT2 MET 1 1.443 -4.596 13.157
3 H3 MET 1 HT3 MET 1 1.135 -5.846 12.048
4 HA MET 1 HA MET 1 0.578 -5.843 14.747
5 HB2 MET 1 HB2 MET 1 -0.626 -7.034 12.926
6 HB3 MET 1 HB1 MET 1 0.723 -8.162 12.798
7 HG2 MET 1 HG2 MET 1 0.386 -8.865 15.126
8 HG3 MET 1 HG1 MET 1 -0.923 -7.698 15.302
9 HE1 MET 1 HE1 MET 1 -0.233 -10.169 12.055
10 HE2 MET 1 HE2 MET 1 -0.771 -11.585 12.953
11 HE3 MET 1 HE3 MET 1 0.547 -10.603 13.582
12 H ALA 2 HN ALA 2 2.427 -8.495 13.290
13 HA ALA 2 HA ALA 2 3.685 -9.214 15.718
14 HB1 ALA 2 HB1 ALA 2 5.211 -10.049 13.413
15 HB2 ALA 2 HB2 ALA 2 3.487 -10.275 13.121
16 HB3 ALA 2 HB3 ALA 2 4.249 -11.025 14.523
17 H GLU 3 HN GLU 3 4.695 -7.202 13.002
18 HA GLU 3 HA GLU 3 7.112 -6.434 14.532
19 HB2 GLU 3 HB2 GLU 3 7.624 -7.641 12.429
20 HB3 GLU 3 HB1 GLU 3 6.728 -6.418 11.529
21 HG2 GLU 3 HG2 GLU 3 8.267 -4.676 12.322
22 HG3 GLU 3 HG1 GLU 3 9.144 -5.870 13.277
23 H ALA 4 HN ALA 4 7.448 -4.310 14.919
24 HA ALA 4 HA ALA 4 5.293 -2.480 14.655
25 HB1 ALA 4 HB1 ALA 4 6.564 -1.067 15.936
26 HB2 ALA 4 HB2 ALA 4 8.052 -1.446 15.068
27 HB3 ALA 4 HB3 ALA 4 7.424 -2.569 16.275
28 H HIS 5 HN HIS 5 5.005 -0.736 13.293
29 HA HIS 5 HA HIS 5 6.660 -0.752 10.842
30 HB2 HIS 5 HB2 HIS 5 3.786 0.098 11.261
31 HB3 HIS 5 HB1 HIS 5 4.671 0.259 9.744
32 HD2 HIS 5 HD2 HIS 5 2.612 -2.391 11.597
33 HE1 HIS 5 HE1 HIS 5 4.744 -4.450 8.591
34 HE2 HIS 5 HE2 HIS 5 2.879 -4.644 10.303
35 H GLN 6 HN GLN 6 7.594 1.093 10.137
36 HA GLN 6 HA GLN 6 7.867 3.271 11.992
37 HB2 GLN 6 HB2 GLN 6 9.741 2.526 10.578
38 HB3 GLN 6 HB1 GLN 6 8.843 3.006 9.138
39 HG2 GLN 6 HG2 GLN 6 8.840 5.326 9.840
40 HG3 GLN 6 HG1 GLN 6 9.561 4.899 11.392
41 HE21 GLN 6 HE21 GLN 6 10.844 6.761 9.647
42 HE22 GLN 6 HE22 GLN 6 12.275 6.054 9.069
43 H ALA 7 HN ALA 7 7.056 5.318 11.874
44 HA ALA 7 HA ALA 7 4.574 5.720 10.563
45 HB1 ALA 7 HB1 ALA 7 6.471 7.487 12.077
46 HB2 ALA 7 HB2 ALA 7 4.828 7.001 12.496
47 HB3 ALA 7 HB3 ALA 7 5.099 8.192 11.223
48 H VAL 8 HN VAL 8 4.033 6.977 8.784
49 HA VAL 8 HA VAL 8 6.283 7.660 6.985
50 HB VAL 8 HB VAL 8 4.646 7.269 5.129
51 HG11 VAL 8 HG11 VAL 8 5.262 4.999 7.040
52 HG12 VAL 8 HG12 VAL 8 6.231 5.526 5.665
53 HG13 VAL 8 HG13 VAL 8 4.665 4.760 5.399
54 HG21 VAL 8 HG21 VAL 8 2.630 5.886 5.754
55 HG22 VAL 8 HG22 VAL 8 2.555 7.553 6.321
56 HG23 VAL 8 HG23 VAL 8 2.965 6.258 7.445
57 H GLY 9 HN GLY 9 6.443 9.684 6.297
58 HA2 GLY 9 HA2 GLY 9 4.292 11.455 5.811
59 HA3 GLY 9 HA1 GLY 9 4.985 11.802 7.394
60 H PHE 10 HN PHE 10 5.401 13.901 6.131
61 HA PHE 10 HA PHE 10 7.694 13.760 4.327
62 HB2 PHE 10 HB2 PHE 10 5.898 15.314 3.768
63 HB3 PHE 10 HB1 PHE 10 6.075 16.115 5.329
64 HD1 PHE 10 HD1 PHE 10 8.004 15.217 2.249
65 HD2 PHE 10 HD2 PHE 10 7.583 17.898 5.578
66 HE1 PHE 10 HE1 PHE 10 9.783 16.665 1.307
67 HE2 PHE 10 HE2 PHE 10 9.362 19.346 4.637
68 HZ PHE 10 HZ PHE 10 10.462 18.730 2.501
69 H ARG 11 HN ARG 11 9.697 13.794 5.068
70 HA ARG 11 HA ARG 11 10.669 15.653 6.972
71 HB2 ARG 11 HB2 ARG 11 9.386 13.973 8.442
72 HB3 ARG 11 HB1 ARG 11 10.661 12.829 8.031
73 HG2 ARG 11 HG2 ARG 11 11.743 13.721 9.818
74 HG3 ARG 11 HG1 ARG 11 12.122 15.043 8.714
75 HD2 ARG 11 HD2 ARG 11 11.160 15.932 10.786
76 HD3 ARG 11 HD1 ARG 11 10.067 16.221 9.435
77 HE ARG 11 HE ARG 11 9.468 13.759 10.774
78 HH11 ARG 11 HH21 ARG 11 9.168 17.203 10.918
79 HH12 ARG 11 HH22 ARG 11 7.721 17.177 11.869
80 HH21 ARG 11 HH11 ARG 11 7.570 13.716 12.022
81 HH22 ARG 11 HH12 ARG 11 6.816 15.202 12.494
82 HA PRO 12 HA PRO 12 13.671 13.597 4.059
83 HB2 PRO 12 HB2 PRO 12 14.729 16.359 3.957
84 HB3 PRO 12 HB1 PRO 12 14.299 15.267 2.628
85 HG2 PRO 12 HG2 PRO 12 12.814 17.408 3.262
86 HG3 PRO 12 HG1 PRO 12 12.107 15.912 2.625
87 HD2 PRO 12 HD2 PRO 12 12.112 16.949 5.436
88 HD3 PRO 12 HD1 PRO 12 10.861 16.025 4.573
89 H SER 13 HN SER 13 15.747 12.944 4.551
90 HA SER 13 HA SER 13 16.666 13.347 7.233
91 HB2 SER 13 HB2 SER 13 17.759 11.888 4.839
92 HB3 SER 13 HB1 SER 13 18.695 12.043 6.323
93 HG SER 13 HG SER 13 17.234 10.146 6.067
94 H LEU 14 HN LEU 14 18.495 14.421 7.959
95 HA LEU 14 HA LEU 14 19.227 16.778 6.478
96 HB2 LEU 14 HB2 LEU 14 20.191 15.624 9.101
97 HB3 LEU 14 HB1 LEU 14 20.763 17.156 8.445
98 HG LEU 14 HG LEU 14 17.842 16.511 8.949
99 HD11 LEU 14 HD11 LEU 14 18.092 18.048 10.906
100 HD12 LEU 14 HD12 LEU 14 19.835 18.052 10.634
101 HD13 LEU 14 HD13 LEU 14 19.015 16.554 11.077
102 HD21 LEU 14 HD21 LEU 14 17.988 19.195 8.961
103 HD22 LEU 14 HD22 LEU 14 17.738 18.281 7.475
104 HD23 LEU 14 HD23 LEU 14 19.348 18.866 7.889
105 H THR 15 HN THR 15 21.136 17.238 5.457
106 HA THR 15 HA THR 15 22.627 15.077 4.378
107 HB THR 15 HB THR 15 24.110 16.874 3.485
108 HG1 THR 15 HG1 THR 15 22.324 18.625 4.804
109 HG21 THR 15 HG21 THR 15 22.144 16.285 2.212
110 HG22 THR 15 HG22 THR 15 22.283 18.043 2.201
111 HG23 THR 15 HG23 THR 15 21.115 17.257 3.262
112 H SER 16 HN SER 16 23.116 17.231 7.102
113 HA SER 16 HA SER 16 25.836 16.696 7.603
114 HB2 SER 16 HB2 SER 16 25.341 17.488 9.896
115 HB3 SER 16 HB1 SER 16 24.663 18.554 8.670
116 HG SER 16 HG SER 16 22.892 18.214 9.775
117 H ASP 17 HN ASP 17 22.895 14.980 8.465
118 HA ASP 17 HA ASP 17 24.325 13.086 10.157
119 HB2 ASP 17 HB2 ASP 17 22.044 13.825 10.761
120 HB3 ASP 17 HB1 ASP 17 21.433 13.118 9.266
121 H GLY 18 HN GLY 18 25.463 11.529 9.229
122 HA2 GLY 18 HA2 GLY 18 25.619 9.461 8.083
123 HA3 GLY 18 HA1 GLY 18 24.244 9.936 7.090
124 H ALA 19 HN ALA 19 26.077 12.618 7.186
125 HA ALA 19 HA ALA 19 26.947 12.401 4.504
126 HB1 ALA 19 HB1 ALA 19 26.952 14.616 4.842
127 HB2 ALA 19 HB2 ALA 19 28.479 14.417 5.699
128 HB3 ALA 19 HB3 ALA 19 26.960 14.409 6.594
129 H GLU 20 HN GLU 20 28.576 11.978 7.597
130 HA GLU 20 HA GLU 20 31.087 11.338 6.225
131 HB2 GLU 20 HB2 GLU 20 30.424 11.688 9.160
132 HB3 GLU 20 HB1 GLU 20 32.019 11.263 8.538
133 HG2 GLU 20 HG2 GLU 20 30.480 13.763 7.768
134 HG3 GLU 20 HG1 GLU 20 31.762 13.712 8.979
135 H VAL 21 HN VAL 21 32.081 9.349 6.372
136 HA VAL 21 HA VAL 21 30.440 7.148 7.495
137 HB VAL 21 HB VAL 21 32.069 7.261 4.953
138 HG11 VAL 21 HG11 VAL 21 31.053 4.906 6.550
139 HG12 VAL 21 HG12 VAL 21 32.657 5.157 5.865
140 HG13 VAL 21 HG13 VAL 21 31.294 4.803 4.804
141 HG21 VAL 21 HG21 VAL 21 29.234 6.322 5.409
142 HG22 VAL 21 HG22 VAL 21 30.005 6.748 3.880
143 HG23 VAL 21 HG23 VAL 21 29.623 8.005 5.056
144 H GLU 22 HN GLU 22 31.412 5.848 8.920
145 HA GLU 22 HA GLU 22 34.270 6.259 9.460
146 HB2 GLU 22 HB2 GLU 22 33.822 5.282 11.636
147 HB3 GLU 22 HB1 GLU 22 32.659 6.565 11.307
148 HG2 GLU 22 HG2 GLU 22 31.014 4.865 10.566
149 HG3 GLU 22 HG1 GLU 22 32.166 3.592 10.964
150 H LEU 23 HN LEU 23 32.432 4.217 7.660
151 HA LEU 23 HA LEU 23 34.100 1.858 8.262
152 HB2 LEU 23 HB2 LEU 23 31.516 2.053 6.688
153 HB3 LEU 23 HB1 LEU 23 32.400 0.567 7.033
154 HG LEU 23 HG LEU 23 31.244 2.440 9.123
155 HD11 LEU 23 HD11 LEU 23 30.065 0.355 7.534
156 HD12 LEU 23 HD12 LEU 23 29.312 1.340 8.788
157 HD13 LEU 23 HD13 LEU 23 30.123 -0.166 9.218
158 HD21 LEU 23 HD21 LEU 23 32.951 -0.017 9.215
159 HD22 LEU 23 HD22 LEU 23 31.715 0.171 10.458
160 HD23 LEU 23 HD23 LEU 23 32.969 1.397 10.265
161 H SER 24 HN SER 24 35.611 1.234 6.894
162 HA SER 24 HA SER 24 35.712 1.007 4.220
163 HB2 SER 24 HB2 SER 24 36.974 3.262 3.648
164 HB3 SER 24 HB1 SER 24 35.229 3.140 3.526
165 HG SER 24 HG SER 24 36.679 4.741 5.061
166 H ALA 25 HN ALA 25 37.002 0.625 6.981
167 HA ALA 25 HA ALA 25 39.645 1.330 7.038
168 HB1 ALA 25 HB1 ALA 25 38.000 -0.619 8.330
169 HB2 ALA 25 HB2 ALA 25 39.505 0.115 8.886
170 HB3 ALA 25 HB3 ALA 25 39.549 -1.356 7.918
171 HA PRO 26 HA PRO 26 40.861 -2.657 4.531
172 HB2 PRO 26 HB2 PRO 26 38.518 -2.710 2.711
173 HB3 PRO 26 HB1 PRO 26 39.411 -4.078 3.391
174 HG2 PRO 26 HG2 PRO 26 36.980 -3.431 4.242
175 HG3 PRO 26 HG1 PRO 26 38.229 -4.028 5.354
176 HD2 PRO 26 HD2 PRO 26 37.217 -1.243 5.000
177 HD3 PRO 26 HD1 PRO 26 37.810 -2.065 6.465
178 H VAL 27 HN VAL 27 38.811 -0.205 2.953
179 HA VAL 27 HA VAL 27 40.435 0.074 0.581
180 HB VAL 27 HB VAL 27 38.316 1.830 1.849
181 HG11 VAL 27 HG11 VAL 27 40.118 2.158 -0.504
182 HG12 VAL 27 HG12 VAL 27 39.502 3.373 0.607
183 HG13 VAL 27 HG13 VAL 27 38.453 2.723 -0.659
184 HG21 VAL 27 HG21 VAL 27 36.884 0.916 0.168
185 HG22 VAL 27 HG22 VAL 27 37.768 -0.461 0.827
186 HG23 VAL 27 HG23 VAL 27 38.242 0.225 -0.722
187 H LEU 28 HN LEU 28 40.155 1.749 3.663
188 HA LEU 28 HA LEU 28 41.929 3.877 3.129
189 HB2 LEU 28 HB2 LEU 28 41.165 2.565 5.754
190 HB3 LEU 28 HB1 LEU 28 42.174 4.000 5.652
191 HG LEU 28 HG LEU 28 39.436 3.799 4.383
192 HD11 LEU 28 HD11 LEU 28 40.250 4.349 7.164
193 HD12 LEU 28 HD12 LEU 28 38.664 3.917 6.512
194 HD13 LEU 28 HD13 LEU 28 39.218 5.588 6.449
195 HD21 LEU 28 HD21 LEU 28 40.251 5.665 3.349
196 HD22 LEU 28 HD22 LEU 28 41.590 5.813 4.483
197 HD23 LEU 28 HD23 LEU 28 40.007 6.445 4.909
198 H GLN 29 HN GLN 29 42.495 0.638 4.529
199 HA GLN 29 HA GLN 29 45.242 1.043 5.186
200 HB2 GLN 29 HB2 GLN 29 43.636 -1.433 4.623
201 HB3 GLN 29 HB1 GLN 29 45.317 -1.486 5.172
202 HG2 GLN 29 HG2 GLN 29 44.711 -0.193 7.189
203 HG3 GLN 29 HG1 GLN 29 43.030 -0.101 6.634
204 HE21 GLN 29 HE21 GLN 29 42.967 -1.273 8.985
205 HE22 GLN 29 HE22 GLN 29 42.968 -2.971 8.909
206 H GLU 30 HN GLU 30 43.694 -0.222 2.235
207 HA GLU 30 HA GLU 30 46.100 -1.033 0.983
208 HB2 GLU 30 HB2 GLU 30 43.399 -0.293 -0.159
209 HB3 GLU 30 HB1 GLU 30 44.723 -0.946 -1.126
210 HG2 GLU 30 HG2 GLU 30 43.479 -2.304 1.290
211 HG3 GLU 30 HG1 GLU 30 43.129 -2.713 -0.389
212 H ILE 31 HN ILE 31 44.265 2.044 0.795
213 HA ILE 31 HA ILE 31 45.999 3.147 -1.194
214 HB ILE 31 HB ILE 31 44.960 5.320 -0.610
215 HG12 ILE 31 HG12 ILE 31 43.518 3.739 1.524
216 HG13 ILE 31 HG11 ILE 31 44.793 4.899 1.842
217 HG21 ILE 31 HG21 ILE 31 42.931 3.069 -0.704
218 HG22 ILE 31 HG22 ILE 31 43.832 3.647 -2.108
219 HG23 ILE 31 HG23 ILE 31 42.706 4.721 -1.277
220 HD11 ILE 31 HD11 ILE 31 43.415 6.631 0.644
221 HD12 ILE 31 HD12 ILE 31 42.695 6.043 2.144
222 HD13 ILE 31 HD13 ILE 31 42.097 5.459 0.590
223 H TYR 32 HN TYR 32 45.950 3.291 2.369
224 HA TYR 32 HA TYR 32 48.052 5.134 2.675
225 HB2 TYR 32 HB2 TYR 32 46.660 4.484 4.550
226 HB3 TYR 32 HB1 TYR 32 47.221 2.817 4.437
227 HD1 TYR 32 HD2 TYR 32 48.360 6.312 5.027
228 HD2 TYR 32 HD1 TYR 32 49.234 2.136 5.503
229 HE1 TYR 32 HE2 TYR 32 50.299 6.884 6.460
230 HE2 TYR 32 HE1 TYR 32 51.179 2.706 6.940
231 HH TYR 32 HH TYR 32 51.692 5.024 8.503
232 H LEU 33 HN LEU 33 48.119 1.574 2.477
233 HA LEU 33 HA LEU 33 50.911 1.294 2.760
234 HB2 LEU 33 HB2 LEU 33 49.361 -0.605 2.994
235 HB3 LEU 33 HB1 LEU 33 48.929 -0.474 1.292
236 HG LEU 33 HG LEU 33 51.237 -1.005 0.635
237 HD11 LEU 33 HD11 LEU 33 52.659 -1.912 2.679
238 HD12 LEU 33 HD12 LEU 33 51.667 -0.777 3.594
239 HD13 LEU 33 HD13 LEU 33 52.680 -0.197 2.270
240 HD21 LEU 33 HD21 LEU 33 51.059 -3.213 2.457
241 HD22 LEU 33 HD22 LEU 33 50.634 -3.171 0.747
242 HD23 LEU 33 HD23 LEU 33 49.428 -2.754 1.968
243 H SER 34 HN SER 34 48.842 1.670 -0.092
244 HA SER 34 HA SER 34 50.857 1.395 -2.056
245 HB2 SER 34 HB2 SER 34 48.618 1.218 -2.803
246 HB3 SER 34 HB1 SER 34 48.157 2.729 -2.024
247 HG SER 34 HG SER 34 48.931 3.805 -3.671
248 H GLY 35 HN GLY 35 49.569 4.230 -0.330
249 HA2 GLY 35 HA2 GLY 35 50.995 6.174 -1.776
250 HA3 GLY 35 HA1 GLY 35 50.339 6.373 -0.157
251 H LEU 36 HN LEU 36 51.873 4.276 1.103
252 HA LEU 36 HA LEU 36 54.189 5.714 1.777
253 HB2 LEU 36 HB2 LEU 36 53.176 4.065 3.280
254 HB3 LEU 36 HB1 LEU 36 53.570 2.773 2.152
255 HG LEU 36 HG LEU 36 55.971 3.219 2.448
256 HD11 LEU 36 HD11 LEU 36 54.895 5.541 4.012
257 HD12 LEU 36 HD12 LEU 36 56.254 5.483 2.888
258 HD13 LEU 36 HD13 LEU 36 56.424 4.817 4.512
259 HD21 LEU 36 HD21 LEU 36 54.835 1.664 4.001
260 HD22 LEU 36 HD22 LEU 36 54.492 3.011 5.087
261 HD23 LEU 36 HD23 LEU 36 56.159 2.514 4.799
262 H ARG 37 HN ARG 37 53.688 2.972 -0.431
263 HA ARG 37 HA ARG 37 56.409 2.555 -1.071
264 HB2 ARG 37 HB2 ARG 37 54.593 0.953 -1.614
265 HB3 ARG 37 HB1 ARG 37 53.983 2.089 -2.818
266 HG2 ARG 37 HG2 ARG 37 56.135 1.969 -4.026
267 HG3 ARG 37 HG1 ARG 37 56.744 0.832 -2.825
268 HD2 ARG 37 HD2 ARG 37 54.846 -0.698 -3.393
269 HD3 ARG 37 HD1 ARG 37 54.389 0.408 -4.683
270 HE ARG 37 HE ARG 37 56.697 -1.373 -4.652
271 HH11 ARG 37 HH21 ARG 37 55.071 1.343 -6.055
272 HH12 ARG 37 HH22 ARG 37 55.901 1.231 -7.569
273 HH21 ARG 37 HH11 ARG 37 57.790 -1.522 -6.633
274 HH22 ARG 37 HH12 ARG 37 57.442 -0.391 -7.899
275 H SER 38 HN SER 38 53.919 4.627 -2.514
276 HA SER 38 HA SER 38 55.567 5.632 -4.625
277 HB2 SER 38 HB2 SER 38 53.091 6.877 -3.428
278 HB3 SER 38 HB1 SER 38 53.772 7.199 -5.021
279 HG SER 38 HG SER 38 53.047 4.594 -4.219
280 H TRP 39 HN TRP 39 54.837 6.640 -1.332
281 HA TRP 39 HA TRP 39 55.836 9.258 -1.417
282 HB2 TRP 39 HB2 TRP 39 55.629 7.253 0.819
283 HB3 TRP 39 HB1 TRP 39 56.228 8.889 1.069
284 HD1 TRP 39 HD1 TRP 39 53.603 8.883 -1.562
285 HE1 TRP 39 HE1 TRP 39 51.379 9.742 -0.599
286 HE3 TRP 39 HE3 TRP 39 54.687 8.732 3.425
287 HZ2 TRP 39 HZ2 TRP 39 50.206 10.299 1.953
288 HZ3 TRP 39 HZ3 TRP 39 53.001 9.433 5.099
289 HH2 TRP 39 HH2 TRP 39 50.763 10.215 4.370
290 H LYS 40 HN LYS 40 57.548 6.178 -1.043
291 HA LYS 40 HA LYS 40 59.976 7.156 -0.075
292 HB2 LYS 40 HB2 LYS 40 59.403 4.744 -0.337
293 HB3 LYS 40 HB1 LYS 40 59.593 4.921 -2.083
294 HG2 LYS 40 HG2 LYS 40 61.930 5.603 -1.788
295 HG3 LYS 40 HG1 LYS 40 61.756 5.502 -0.035
296 HD2 LYS 40 HD2 LYS 40 61.249 3.092 -0.224
297 HD3 LYS 40 HD1 LYS 40 61.433 3.191 -1.976
298 HE2 LYS 40 HE2 LYS 40 63.774 3.914 -1.696
299 HE3 LYS 40 HE1 LYS 40 63.594 3.819 0.057
300 HZ1 LYS 40 HZ1 LYS 40 63.996 1.720 -1.860
301 HZ2 LYS 40 HZ2 LYS 40 62.716 1.404 -0.789
302 HZ3 LYS 40 HZ3 LYS 40 64.273 1.723 -0.187
303 H ARG 41 HN ARG 41 58.784 6.986 -3.485
304 HA ARG 41 HA ARG 41 61.204 7.842 -4.643
305 HB2 ARG 41 HB2 ARG 41 59.298 6.903 -5.920
306 HB3 ARG 41 HB1 ARG 41 58.384 8.375 -5.605
307 HG2 ARG 41 HG2 ARG 41 60.116 9.702 -6.771
308 HG3 ARG 41 HG1 ARG 41 61.023 8.224 -7.094
309 HD2 ARG 41 HD2 ARG 41 58.174 8.698 -8.006
310 HD3 ARG 41 HD1 ARG 41 59.590 8.973 -9.016
311 HE ARG 41 HE ARG 41 59.737 6.354 -8.005
312 HH11 ARG 41 HH21 ARG 41 57.794 8.316 -10.091
313 HH12 ARG 41 HH22 ARG 41 57.314 6.999 -11.109
314 HH21 ARG 41 HH11 ARG 41 59.116 4.625 -9.336
315 HH22 ARG 41 HH12 ARG 41 58.064 4.908 -10.681
316 H HIS 42 HN HIS 42 58.423 9.554 -3.488
317 HA HIS 42 HA HIS 42 59.334 12.213 -4.081
318 HB2 HIS 42 HB2 HIS 42 57.154 11.214 -2.243
319 HB3 HIS 42 HB1 HIS 42 57.446 12.916 -2.602
320 HD2 HIS 42 HD2 HIS 42 55.557 9.947 -4.117
321 HE1 HIS 42 HE1 HIS 42 55.840 12.847 -7.171
322 HE2 HIS 42 HE2 HIS 42 54.721 10.674 -6.480
323 H LEU 43 HN LEU 43 59.527 10.089 -1.334
324 HA LEU 43 HA LEU 43 60.580 12.071 0.489
325 HB2 LEU 43 HB2 LEU 43 59.131 9.991 1.074
326 HB3 LEU 43 HB1 LEU 43 60.642 9.105 0.947
327 HG LEU 43 HG LEU 43 61.651 10.686 2.614
328 HD11 LEU 43 HD11 LEU 43 60.525 12.627 2.931
329 HD12 LEU 43 HD12 LEU 43 59.434 11.684 3.944
330 HD13 LEU 43 HD13 LEU 43 59.038 11.969 2.251
331 HD21 LEU 43 HD21 LEU 43 60.555 9.667 4.540
332 HD22 LEU 43 HD22 LEU 43 60.686 8.475 3.246
333 HD23 LEU 43 HD23 LEU 43 59.144 9.271 3.558
334 H SER 44 HN SER 44 61.889 10.257 -2.024
335 HA SER 44 HA SER 44 64.260 9.226 -1.104
336 HB2 SER 44 HB2 SER 44 65.149 9.601 -3.375
337 HB3 SER 44 HB1 SER 44 63.508 8.957 -3.406
338 HG SER 44 HG SER 44 63.980 10.826 -4.803
339 H ARG 45 HN ARG 45 63.713 12.684 -2.006
340 HA ARG 45 HA ARG 45 66.413 13.427 -1.765
341 HB2 ARG 45 HB2 ARG 45 63.869 15.001 -1.332
342 HB3 ARG 45 HB1 ARG 45 65.475 15.733 -1.279
343 HG2 ARG 45 HG2 ARG 45 65.931 14.967 -3.563
344 HG3 ARG 45 HG1 ARG 45 64.353 14.178 -3.630
345 HD2 ARG 45 HD2 ARG 45 63.248 16.356 -3.314
346 HD3 ARG 45 HD1 ARG 45 64.818 17.150 -3.247
347 HE ARG 45 HE ARG 45 63.512 16.064 -5.631
348 HH11 ARG 45 HH21 ARG 45 66.351 17.365 -4.125
349 HH12 ARG 45 HH22 ARG 45 67.086 17.846 -5.616
350 HH21 ARG 45 HH11 ARG 45 64.475 16.698 -7.584
351 HH22 ARG 45 HH12 ARG 45 66.027 17.467 -7.571
352 H PHE 46 HN PHE 46 63.820 13.579 0.680
353 HA PHE 46 HA PHE 46 65.490 14.497 2.784
354 HB2 PHE 46 HB2 PHE 46 62.820 13.081 2.799
355 HB3 PHE 46 HB1 PHE 46 63.600 13.703 4.252
356 HD1 PHE 46 HD1 PHE 46 63.979 16.139 4.537
357 HD2 PHE 46 HD2 PHE 46 61.833 14.563 1.166
358 HE1 PHE 46 HE1 PHE 46 63.090 18.401 4.045
359 HE2 PHE 46 HE2 PHE 46 60.944 16.825 0.674
360 HZ PHE 46 HZ PHE 46 61.572 18.745 2.114
361 H TRP 47 HN TRP 47 64.477 11.303 1.716
362 HA TRP 47 HA TRP 47 65.477 9.817 3.886
363 HB2 TRP 47 HB2 TRP 47 63.904 8.936 2.181
364 HB3 TRP 47 HB1 TRP 47 65.221 8.931 1.006
365 HD1 TRP 47 HD1 TRP 47 64.045 7.221 4.212
366 HE1 TRP 47 HE1 TRP 47 65.341 5.012 4.502
367 HE3 TRP 47 HE3 TRP 47 67.415 7.669 0.405
368 HZ2 TRP 47 HZ2 TRP 47 67.518 3.620 3.281
369 HZ3 TRP 47 HZ3 TRP 47 69.090 5.888 -0.010
370 HH2 TRP 47 HH2 TRP 47 69.145 3.866 1.423
371 H ASN 48 HN ASN 48 66.995 10.853 0.855
372 HA ASN 48 HA ASN 48 69.408 9.414 1.143
373 HB2 ASN 48 HB2 ASN 48 68.673 11.937 -0.330
374 HB3 ASN 48 HB1 ASN 48 70.318 11.308 -0.343
375 HD21 ASN 48 HD21 ASN 48 68.731 11.438 -2.736
376 HD22 ASN 48 HD22 ASN 48 68.408 9.850 -3.237
377 H ASP 49 HN ASP 49 68.409 12.630 2.236
378 HA ASP 49 HA ASP 49 70.997 13.023 3.555
379 HB2 ASP 49 HB2 ASP 49 69.846 14.851 2.220
380 HB3 ASP 49 HB1 ASP 49 68.654 14.923 3.517
381 H PHE 50 HN PHE 50 71.197 12.098 5.494
382 HA PHE 50 HA PHE 50 69.326 11.043 7.157
383 HB2 PHE 50 HB2 PHE 50 71.717 10.850 7.601
384 HB3 PHE 50 HB1 PHE 50 71.802 12.566 7.998
385 HD1 PHE 50 HD1 PHE 50 70.052 9.405 8.981
386 HD2 PHE 50 HD2 PHE 50 71.419 13.291 10.199
387 HE1 PHE 50 HE1 PHE 50 69.399 8.901 11.320
388 HE2 PHE 50 HE2 PHE 50 70.766 12.787 12.538
389 HZ PHE 50 HZ PHE 50 69.756 10.592 13.099
Start of MODEL 15
1 H1 MET 1 HT1 MET 1 10.152 5.515 -12.297
2 H2 MET 1 HT2 MET 1 11.152 6.302 -11.166
3 H3 MET 1 HT3 MET 1 9.469 6.555 -11.143
4 HA MET 1 HA MET 1 9.473 3.945 -10.867
5 HB2 MET 1 HB2 MET 1 11.963 3.878 -10.913
6 HB3 MET 1 HB1 MET 1 11.990 4.876 -9.453
7 HG2 MET 1 HG2 MET 1 10.712 3.182 -8.247
8 HG3 MET 1 HG1 MET 1 10.589 2.205 -9.712
9 HE1 MET 1 HE1 MET 1 12.626 3.866 -7.133
10 HE2 MET 1 HE2 MET 1 13.896 4.219 -8.307
11 HE3 MET 1 HE3 MET 1 14.174 3.020 -7.046
12 H ALA 2 HN ALA 2 7.562 4.680 -9.967
13 HA ALA 2 HA ALA 2 7.428 6.479 -7.768
14 HB1 ALA 2 HB1 ALA 2 5.232 6.385 -8.258
15 HB2 ALA 2 HB2 ALA 2 5.179 4.682 -7.795
16 HB3 ALA 2 HB3 ALA 2 5.577 5.133 -9.450
17 H GLU 3 HN GLU 3 7.328 6.106 -5.589
18 HA GLU 3 HA GLU 3 8.081 3.398 -4.673
19 HB2 GLU 3 HB2 GLU 3 8.433 6.095 -3.339
20 HB3 GLU 3 HB1 GLU 3 8.864 4.552 -2.617
21 HG2 GLU 3 HG2 GLU 3 10.894 5.271 -3.544
22 HG3 GLU 3 HG1 GLU 3 10.251 4.190 -4.784
23 H ALA 4 HN ALA 4 6.560 2.236 -3.686
24 HA ALA 4 HA ALA 4 3.982 3.248 -3.094
25 HB1 ALA 4 HB1 ALA 4 3.455 1.078 -2.647
26 HB2 ALA 4 HB2 ALA 4 4.905 0.817 -1.685
27 HB3 ALA 4 HB3 ALA 4 4.997 0.776 -3.448
28 H HIS 5 HN HIS 5 6.857 2.618 -1.145
29 HA HIS 5 HA HIS 5 5.508 3.846 1.178
30 HB2 HIS 5 HB2 HIS 5 7.828 1.908 1.057
31 HB3 HIS 5 HB1 HIS 5 7.253 2.684 2.535
32 HD2 HIS 5 HD2 HIS 5 4.796 1.657 3.536
33 HE1 HIS 5 HE1 HIS 5 4.322 -1.326 0.587
34 HE2 HIS 5 HE2 HIS 5 3.444 -0.454 2.804
35 H GLN 6 HN GLN 6 6.237 5.720 1.925
36 HA GLN 6 HA GLN 6 8.811 6.747 0.881
37 HB2 GLN 6 HB2 GLN 6 6.253 8.213 1.584
38 HB3 GLN 6 HB1 GLN 6 7.783 9.018 1.215
39 HG2 GLN 6 HG2 GLN 6 7.824 7.980 -1.001
40 HG3 GLN 6 HG1 GLN 6 6.349 7.095 -0.632
41 HE21 GLN 6 HE21 GLN 6 5.864 8.494 -2.777
42 HE22 GLN 6 HE22 GLN 6 5.104 9.985 -2.481
43 H ALA 7 HN ALA 7 10.330 7.101 2.341
44 HA ALA 7 HA ALA 7 9.910 6.607 5.108
45 HB1 ALA 7 HB1 ALA 7 12.314 8.153 4.470
46 HB2 ALA 7 HB2 ALA 7 12.117 6.728 3.448
47 HB3 ALA 7 HB3 ALA 7 12.164 6.558 5.202
48 H VAL 8 HN VAL 8 9.703 7.966 6.829
49 HA VAL 8 HA VAL 8 8.576 10.535 6.421
50 HB VAL 8 HB VAL 8 8.643 10.743 8.840
51 HG11 VAL 8 HG11 VAL 8 8.097 7.884 7.985
52 HG12 VAL 8 HG12 VAL 8 6.972 9.231 7.807
53 HG13 VAL 8 HG13 VAL 8 7.442 8.681 9.415
54 HG21 VAL 8 HG21 VAL 8 10.728 10.023 9.569
55 HG22 VAL 8 HG22 VAL 8 10.719 8.603 8.521
56 HG23 VAL 8 HG23 VAL 8 9.745 8.622 9.989
57 H GLY 9 HN GLY 9 11.801 9.427 7.341
58 HA2 GLY 9 HA2 GLY 9 12.915 11.958 7.919
59 HA3 GLY 9 HA1 GLY 9 13.820 10.508 7.503
60 H PHE 10 HN PHE 10 12.517 10.173 4.910
61 HA PHE 10 HA PHE 10 12.890 10.727 2.710
62 HB2 PHE 10 HB2 PHE 10 12.923 13.564 3.770
63 HB3 PHE 10 HB1 PHE 10 12.764 13.096 2.080
64 HD1 PHE 10 HD1 PHE 10 10.794 11.436 1.526
65 HD2 PHE 10 HD2 PHE 10 11.000 13.865 5.065
66 HE1 PHE 10 HE1 PHE 10 8.337 11.233 1.811
67 HE2 PHE 10 HE2 PHE 10 8.547 13.654 5.352
68 HZ PHE 10 HZ PHE 10 7.216 12.340 3.726
69 H ARG 11 HN ARG 11 15.111 10.831 4.991
70 HA ARG 11 HA ARG 11 17.271 11.343 3.083
71 HB2 ARG 11 HB2 ARG 11 17.143 12.671 5.803
72 HB3 ARG 11 HB1 ARG 11 18.484 12.771 4.663
73 HG2 ARG 11 HG2 ARG 11 16.815 13.719 2.980
74 HG3 ARG 11 HG1 ARG 11 15.685 13.875 4.323
75 HD2 ARG 11 HD2 ARG 11 17.900 15.006 5.416
76 HD3 ARG 11 HD1 ARG 11 18.137 15.427 3.724
77 HE ARG 11 HE ARG 11 16.182 16.552 5.497
78 HH11 ARG 11 HH21 ARG 11 16.815 15.600 2.240
79 HH12 ARG 11 HH22 ARG 11 15.750 16.768 1.537
80 HH21 ARG 11 HH11 ARG 11 14.785 18.117 4.583
81 HH22 ARG 11 HH12 ARG 11 14.601 18.195 2.864
82 HA PRO 12 HA PRO 12 17.720 7.554 5.796
83 HB2 PRO 12 HB2 PRO 12 18.758 6.467 3.246
84 HB3 PRO 12 HB1 PRO 12 17.544 5.790 4.342
85 HG2 PRO 12 HG2 PRO 12 16.917 6.843 1.951
86 HG3 PRO 12 HG1 PRO 12 15.826 6.915 3.344
87 HD2 PRO 12 HD2 PRO 12 17.508 9.076 2.154
88 HD3 PRO 12 HD1 PRO 12 15.929 9.189 2.965
89 H SER 13 HN SER 13 19.628 6.903 6.734
90 HA SER 13 HA SER 13 22.034 8.376 5.995
91 HB2 SER 13 HB2 SER 13 22.935 7.580 8.095
92 HB3 SER 13 HB1 SER 13 21.294 8.146 8.379
93 HG SER 13 HG SER 13 21.875 6.031 9.281
94 H LEU 14 HN LEU 14 20.630 5.462 5.182
95 HA LEU 14 HA LEU 14 23.215 4.117 4.753
96 HB2 LEU 14 HB2 LEU 14 20.373 3.158 4.937
97 HB3 LEU 14 HB1 LEU 14 21.589 2.176 4.122
98 HG LEU 14 HG LEU 14 23.016 2.305 6.168
99 HD11 LEU 14 HD11 LEU 14 22.433 4.216 7.341
100 HD12 LEU 14 HD12 LEU 14 21.539 3.003 8.256
101 HD13 LEU 14 HD13 LEU 14 20.704 3.993 7.063
102 HD21 LEU 14 HD21 LEU 14 20.236 1.319 6.835
103 HD22 LEU 14 HD22 LEU 14 21.773 0.691 7.428
104 HD23 LEU 14 HD23 LEU 14 21.319 0.461 5.739
105 H THR 15 HN THR 15 24.052 3.903 2.790
106 HA THR 15 HA THR 15 22.331 4.395 0.442
107 HB THR 15 HB THR 15 24.031 5.777 -0.565
108 HG1 THR 15 HG1 THR 15 25.548 5.422 1.799
109 HG21 THR 15 HG21 THR 15 23.703 7.674 0.725
110 HG22 THR 15 HG22 THR 15 24.020 6.825 2.239
111 HG23 THR 15 HG23 THR 15 22.474 6.614 1.419
112 H SER 16 HN SER 16 23.226 3.536 -1.564
113 HA SER 16 HA SER 16 24.018 0.856 -1.335
114 HB2 SER 16 HB2 SER 16 24.252 2.716 -3.709
115 HB3 SER 16 HB1 SER 16 24.364 0.959 -3.773
116 HG SER 16 HG SER 16 22.155 2.359 -2.676
117 H ASP 17 HN ASP 17 25.929 3.775 -2.019
118 HA ASP 17 HA ASP 17 28.384 2.398 -2.475
119 HB2 ASP 17 HB2 ASP 17 27.675 5.239 -1.769
120 HB3 ASP 17 HB1 ASP 17 29.357 4.712 -1.821
121 H GLY 18 HN GLY 18 29.951 1.750 -1.085
122 HA2 GLY 18 HA2 GLY 18 31.042 1.320 0.900
123 HA3 GLY 18 HA1 GLY 18 30.141 2.652 1.619
124 H ALA 19 HN ALA 19 28.275 0.248 0.037
125 HA ALA 19 HA ALA 19 26.818 -0.412 2.368
126 HB1 ALA 19 HB1 ALA 19 25.975 -2.323 0.854
127 HB2 ALA 19 HB2 ALA 19 26.977 -1.590 -0.395
128 HB3 ALA 19 HB3 ALA 19 25.663 -0.668 0.337
129 H GLU 20 HN GLU 20 29.458 -2.042 0.669
130 HA GLU 20 HA GLU 20 29.356 -4.464 2.126
131 HB2 GLU 20 HB2 GLU 20 31.608 -3.104 0.635
132 HB3 GLU 20 HB1 GLU 20 31.721 -4.731 1.307
133 HG2 GLU 20 HG2 GLU 20 29.823 -5.458 -0.062
134 HG3 GLU 20 HG1 GLU 20 29.624 -3.825 -0.690
135 H VAL 21 HN VAL 21 31.161 -1.447 2.642
136 HA VAL 21 HA VAL 21 31.814 -2.405 5.370
137 HB VAL 21 HB VAL 21 33.882 -1.012 5.226
138 HG11 VAL 21 HG11 VAL 21 33.416 -3.314 3.336
139 HG12 VAL 21 HG12 VAL 21 34.267 -3.308 4.880
140 HG13 VAL 21 HG13 VAL 21 35.004 -2.560 3.464
141 HG21 VAL 21 HG21 VAL 21 33.274 0.559 3.510
142 HG22 VAL 21 HG22 VAL 21 32.950 -0.735 2.355
143 HG23 VAL 21 HG23 VAL 21 34.604 -0.405 2.869
144 H GLU 22 HN GLU 22 31.132 -1.110 6.997
145 HA GLU 22 HA GLU 22 29.508 1.161 6.468
146 HB2 GLU 22 HB2 GLU 22 30.794 0.197 9.032
147 HB3 GLU 22 HB1 GLU 22 29.607 1.500 8.941
148 HG2 GLU 22 HG2 GLU 22 29.126 -1.331 7.967
149 HG3 GLU 22 HG1 GLU 22 28.584 -0.706 9.521
150 H LEU 23 HN LEU 23 32.858 0.774 7.530
151 HA LEU 23 HA LEU 23 33.220 3.687 7.527
152 HB2 LEU 23 HB2 LEU 23 35.010 1.403 8.367
153 HB3 LEU 23 HB1 LEU 23 35.501 3.093 8.406
154 HG LEU 23 HG LEU 23 33.055 1.995 9.824
155 HD11 LEU 23 HD11 LEU 23 34.429 2.272 11.887
156 HD12 LEU 23 HD12 LEU 23 35.828 2.625 10.873
157 HD13 LEU 23 HD13 LEU 23 35.067 1.035 10.805
158 HD21 LEU 23 HD21 LEU 23 33.711 4.276 11.115
159 HD22 LEU 23 HD22 LEU 23 32.603 4.246 9.744
160 HD23 LEU 23 HD23 LEU 23 34.292 4.691 9.507
161 H SER 24 HN SER 24 35.808 1.535 6.748
162 HA SER 24 HA SER 24 35.939 1.224 4.089
163 HB2 SER 24 HB2 SER 24 37.277 3.432 3.469
164 HB3 SER 24 HB1 SER 24 35.526 3.371 3.330
165 HG SER 24 HG SER 24 35.641 5.023 4.632
166 H ALA 25 HN ALA 25 37.189 0.901 6.908
167 HA ALA 25 HA ALA 25 39.833 1.594 6.965
168 HB1 ALA 25 HB1 ALA 25 38.190 -0.300 8.339
169 HB2 ALA 25 HB2 ALA 25 39.688 0.461 8.873
170 HB3 ALA 25 HB3 ALA 25 39.743 -1.050 7.968
171 HA PRO 26 HA PRO 26 41.002 -2.549 4.613
172 HB2 PRO 26 HB2 PRO 26 38.666 -2.625 2.765
173 HB3 PRO 26 HB1 PRO 26 39.548 -3.961 3.529
174 HG2 PRO 26 HG2 PRO 26 37.125 -3.227 4.365
175 HG3 PRO 26 HG1 PRO 26 38.371 -3.803 5.488
176 HD2 PRO 26 HD2 PRO 26 37.385 -1.016 5.037
177 HD3 PRO 26 HD1 PRO 26 37.992 -1.777 6.525
178 H VAL 27 HN VAL 27 38.983 -0.169 2.883
179 HA VAL 27 HA VAL 27 40.664 0.030 0.580
180 HB VAL 27 HB VAL 27 38.548 1.860 1.731
181 HG11 VAL 27 HG11 VAL 27 38.671 2.637 -0.816
182 HG12 VAL 27 HG12 VAL 27 40.353 2.139 -0.640
183 HG13 VAL 27 HG13 VAL 27 39.688 3.387 0.412
184 HG21 VAL 27 HG21 VAL 27 37.253 0.983 -0.209
185 HG22 VAL 27 HG22 VAL 27 37.711 -0.287 0.923
186 HG23 VAL 27 HG23 VAL 27 38.599 -0.091 -0.589
187 H LEU 28 HN LEU 28 40.324 1.886 3.565
188 HA LEU 28 HA LEU 28 42.177 3.922 2.935
189 HB2 LEU 28 HB2 LEU 28 41.263 2.804 5.580
190 HB3 LEU 28 HB1 LEU 28 42.337 4.192 5.449
191 HG LEU 28 HG LEU 28 39.627 4.019 4.092
192 HD11 LEU 28 HD11 LEU 28 39.203 4.010 6.448
193 HD12 LEU 28 HD12 LEU 28 38.969 5.673 5.901
194 HD13 LEU 28 HD13 LEU 28 40.455 5.219 6.741
195 HD21 LEU 28 HD21 LEU 28 40.574 5.765 2.961
196 HD22 LEU 28 HD22 LEU 28 41.833 6.004 4.170
197 HD23 LEU 28 HD23 LEU 28 40.223 6.667 4.435
198 H GLN 29 HN GLN 29 42.583 0.788 4.537
199 HA GLN 29 HA GLN 29 45.296 1.134 5.243
200 HB2 GLN 29 HB2 GLN 29 43.848 -0.647 6.175
201 HB3 GLN 29 HB1 GLN 29 43.832 -1.442 4.602
202 HG2 GLN 29 HG2 GLN 29 46.284 -1.698 4.699
203 HG3 GLN 29 HG1 GLN 29 46.308 -0.898 6.269
204 HE21 GLN 29 HE21 GLN 29 46.352 -2.354 7.985
205 HE22 GLN 29 HE22 GLN 29 45.682 -3.915 7.956
206 H GLU 30 HN GLU 30 43.755 -0.158 2.301
207 HA GLU 30 HA GLU 30 46.181 -0.955 1.035
208 HB2 GLU 30 HB2 GLU 30 43.466 -0.250 -0.101
209 HB3 GLU 30 HB1 GLU 30 44.801 -0.875 -1.068
210 HG2 GLU 30 HG2 GLU 30 44.892 -2.897 0.298
211 HG3 GLU 30 HG1 GLU 30 43.630 -2.269 1.354
212 H ILE 31 HN ILE 31 44.276 2.066 0.960
213 HA ILE 31 HA ILE 31 45.863 3.366 -1.008
214 HB ILE 31 HB ILE 31 44.169 4.458 1.244
215 HG12 ILE 31 HG12 ILE 31 43.663 4.415 -1.737
216 HG13 ILE 31 HG11 ILE 31 43.098 3.141 -0.654
217 HG21 ILE 31 HG21 ILE 31 45.696 6.207 0.742
218 HG22 ILE 31 HG22 ILE 31 44.274 6.568 -0.238
219 HG23 ILE 31 HG23 ILE 31 45.694 5.823 -0.979
220 HD11 ILE 31 HD11 ILE 31 41.949 4.924 0.707
221 HD12 ILE 31 HD12 ILE 31 41.300 4.729 -0.917
222 HD13 ILE 31 HD13 ILE 31 42.371 6.080 -0.556
223 H TYR 32 HN TYR 32 45.990 3.269 2.552
224 HA TYR 32 HA TYR 32 48.115 5.082 2.866
225 HB2 TYR 32 HB2 TYR 32 46.762 4.390 4.752
226 HB3 TYR 32 HB1 TYR 32 47.292 2.719 4.567
227 HD1 TYR 32 HD1 TYR 32 48.493 6.175 5.274
228 HD2 TYR 32 HD2 TYR 32 49.336 1.969 5.521
229 HE1 TYR 32 HE1 TYR 32 50.478 6.654 6.680
230 HE2 TYR 32 HE2 TYR 32 51.319 2.450 6.930
231 HH TYR 32 HH TYR 32 52.893 4.430 7.264
232 H LEU 33 HN LEU 33 48.135 1.524 2.582
233 HA LEU 33 HA LEU 33 50.936 1.214 2.784
234 HB2 LEU 33 HB2 LEU 33 49.382 -0.669 3.036
235 HB3 LEU 33 HB1 LEU 33 48.893 -0.504 1.352
236 HG LEU 33 HG LEU 33 51.176 -1.042 0.612
237 HD11 LEU 33 HD11 LEU 33 52.665 -2.001 2.569
238 HD12 LEU 33 HD12 LEU 33 51.702 -0.914 3.565
239 HD13 LEU 33 HD13 LEU 33 52.665 -0.270 2.235
240 HD21 LEU 33 HD21 LEU 33 50.605 -3.215 0.707
241 HD22 LEU 33 HD22 LEU 33 49.362 -2.790 1.886
242 HD23 LEU 33 HD23 LEU 33 50.966 -3.274 2.433
243 H SER 34 HN SER 34 48.775 1.653 0.025
244 HA SER 34 HA SER 34 50.709 1.384 -2.022
245 HB2 SER 34 HB2 SER 34 48.283 1.283 -2.440
246 HB3 SER 34 HB1 SER 34 48.135 2.980 -2.000
247 HG SER 34 HG SER 34 49.238 1.786 -4.273
248 H GLY 35 HN GLY 35 49.498 4.201 -0.219
249 HA2 GLY 35 HA2 GLY 35 50.895 6.169 -1.676
250 HA3 GLY 35 HA1 GLY 35 50.276 6.344 -0.037
251 H LEU 36 HN LEU 36 51.826 4.228 1.160
252 HA LEU 36 HA LEU 36 54.167 5.642 1.801
253 HB2 LEU 36 HB2 LEU 36 53.145 4.016 3.315
254 HB3 LEU 36 HB1 LEU 36 53.508 2.714 2.185
255 HG LEU 36 HG LEU 36 55.921 3.143 2.449
256 HD11 LEU 36 HD11 LEU 36 54.869 5.466 4.011
257 HD12 LEU 36 HD12 LEU 36 56.253 5.382 2.921
258 HD13 LEU 36 HD13 LEU 36 56.373 4.719 4.551
259 HD21 LEU 36 HD21 LEU 36 54.454 2.892 5.095
260 HD22 LEU 36 HD22 LEU 36 56.127 2.415 4.802
261 HD23 LEU 36 HD23 LEU 36 54.812 1.565 3.989
262 H ARG 37 HN ARG 37 53.599 2.912 -0.395
263 HA ARG 37 HA ARG 37 56.295 2.457 -1.102
264 HB2 ARG 37 HB2 ARG 37 54.441 0.892 -1.589
265 HB3 ARG 37 HB1 ARG 37 53.795 2.041 -2.761
266 HG2 ARG 37 HG2 ARG 37 55.896 1.901 -4.051
267 HG3 ARG 37 HG1 ARG 37 56.526 0.738 -2.882
268 HD2 ARG 37 HD2 ARG 37 54.560 -0.739 -3.395
269 HD3 ARG 37 HD1 ARG 37 54.107 0.387 -4.671
270 HE ARG 37 HE ARG 37 56.832 -0.513 -4.897
271 HH11 ARG 37 HH21 ARG 37 53.514 -1.246 -5.493
272 HH12 ARG 37 HH22 ARG 37 53.836 -2.271 -6.851
273 HH21 ARG 37 HH11 ARG 37 57.276 -1.854 -6.671
274 HH22 ARG 37 HH12 ARG 37 55.972 -2.609 -7.526
275 H SER 38 HN SER 38 53.796 4.569 -2.480
276 HA SER 38 HA SER 38 55.410 5.570 -4.624
277 HB2 SER 38 HB2 SER 38 53.593 7.246 -4.851
278 HB3 SER 38 HB1 SER 38 52.981 5.597 -4.788
279 HG SER 38 HG SER 38 52.624 5.952 -2.529
280 H TRP 39 HN TRP 39 54.763 6.553 -1.324
281 HA TRP 39 HA TRP 39 55.725 9.190 -1.402
282 HB2 TRP 39 HB2 TRP 39 55.574 7.169 0.825
283 HB3 TRP 39 HB1 TRP 39 56.126 8.816 1.076
284 HD1 TRP 39 HD1 TRP 39 53.502 8.942 -1.502
285 HE1 TRP 39 HE1 TRP 39 51.256 9.648 -0.481
286 HE3 TRP 39 HE3 TRP 39 54.547 8.336 3.463
287 HZ2 TRP 39 HZ2 TRP 39 50.050 9.929 2.082
288 HZ3 TRP 39 HZ3 TRP 39 52.821 8.835 5.172
289 HH2 TRP 39 HH2 TRP 39 50.575 9.629 4.486
290 H LYS 40 HN LYS 40 57.468 6.121 -1.090
291 HA LYS 40 HA LYS 40 59.895 7.122 -0.120
292 HB2 LYS 40 HB2 LYS 40 59.334 4.845 -2.035
293 HB3 LYS 40 HB1 LYS 40 60.921 5.159 -1.329
294 HG2 LYS 40 HG2 LYS 40 59.935 4.956 0.936
295 HG3 LYS 40 HG1 LYS 40 58.372 4.596 0.207
296 HD2 LYS 40 HD2 LYS 40 59.325 2.603 -0.887
297 HD3 LYS 40 HD1 LYS 40 60.896 2.963 -0.170
298 HE2 LYS 40 HE2 LYS 40 59.944 2.751 2.083
299 HE3 LYS 40 HE1 LYS 40 58.357 2.411 1.393
300 HZ1 LYS 40 HZ1 LYS 40 59.484 0.498 0.218
301 HZ2 LYS 40 HZ2 LYS 40 59.301 0.337 1.899
302 HZ3 LYS 40 HZ3 LYS 40 60.809 0.758 1.241
303 H ARG 41 HN ARG 41 58.670 7.039 -3.528
304 HA ARG 41 HA ARG 41 61.125 7.928 -4.629
305 HB2 ARG 41 HB2 ARG 41 58.287 8.218 -5.620
306 HB3 ARG 41 HB1 ARG 41 59.694 8.751 -6.541
307 HG2 ARG 41 HG2 ARG 41 60.617 6.447 -6.421
308 HG3 ARG 41 HG1 ARG 41 59.149 5.928 -5.585
309 HD2 ARG 41 HD2 ARG 41 59.199 7.217 -8.323
310 HD3 ARG 41 HD1 ARG 41 59.085 5.483 -8.044
311 HE ARG 41 HE ARG 41 56.975 7.447 -7.669
312 HH11 ARG 41 HH21 ARG 41 58.183 4.271 -6.979
313 HH12 ARG 41 HH22 ARG 41 56.628 3.617 -6.599
314 HH21 ARG 41 HH11 ARG 41 54.935 6.583 -7.192
315 HH22 ARG 41 HH12 ARG 41 54.789 4.922 -6.729
316 H HIS 42 HN HIS 42 58.330 9.603 -3.438
317 HA HIS 42 HA HIS 42 59.216 12.275 -4.055
318 HB2 HIS 42 HB2 HIS 42 57.027 11.223 -2.250
319 HB3 HIS 42 HB1 HIS 42 57.344 12.943 -2.486
320 HD2 HIS 42 HD2 HIS 42 56.482 13.983 -4.945
321 HE1 HIS 42 HE1 HIS 42 54.974 10.367 -6.516
322 HE2 HIS 42 HE2 HIS 42 55.101 12.879 -6.865
323 H LEU 43 HN LEU 43 59.431 10.160 -1.293
324 HA LEU 43 HA LEU 43 60.570 12.162 0.465
325 HB2 LEU 43 HB2 LEU 43 59.804 9.285 0.768
326 HB3 LEU 43 HB1 LEU 43 60.940 9.993 1.902
327 HG LEU 43 HG LEU 43 58.402 10.048 2.487
328 HD11 LEU 43 HD11 LEU 43 59.549 11.261 4.021
329 HD12 LEU 43 HD12 LEU 43 58.885 12.646 3.158
330 HD13 LEU 43 HD13 LEU 43 60.516 12.088 2.801
331 HD21 LEU 43 HD21 LEU 43 57.920 11.164 0.136
332 HD22 LEU 43 HD22 LEU 43 58.388 12.645 0.964
333 HD23 LEU 43 HD23 LEU 43 57.037 11.695 1.559
334 H SER 44 HN SER 44 61.761 10.286 -2.025
335 HA SER 44 HA SER 44 64.097 9.166 -1.128
336 HB2 SER 44 HB2 SER 44 64.954 9.420 -3.395
337 HB3 SER 44 HB1 SER 44 63.252 8.972 -3.429
338 HG SER 44 HG SER 44 62.880 11.328 -3.545
339 H ARG 45 HN ARG 45 63.646 12.638 -2.003
340 HA ARG 45 HA ARG 45 66.368 13.323 -1.788
341 HB2 ARG 45 HB2 ARG 45 63.866 14.959 -1.305
342 HB3 ARG 45 HB1 ARG 45 65.492 15.643 -1.297
343 HG2 ARG 45 HG2 ARG 45 65.868 14.874 -3.591
344 HG3 ARG 45 HG1 ARG 45 64.277 14.114 -3.617
345 HD2 ARG 45 HD2 ARG 45 64.723 17.072 -3.155
346 HD3 ARG 45 HD1 ARG 45 64.354 16.369 -4.725
347 HE ARG 45 HE ARG 45 62.394 15.493 -2.914
348 HH11 ARG 45 HH21 ARG 45 63.583 18.391 -4.363
349 HH12 ARG 45 HH22 ARG 45 62.047 19.193 -4.367
350 HH21 ARG 45 HH11 ARG 45 60.365 16.531 -2.903
351 HH22 ARG 45 HH12 ARG 45 60.219 18.136 -3.540
352 H PHE 46 HN PHE 46 63.788 13.514 0.671
353 HA PHE 46 HA PHE 46 65.433 14.419 2.789
354 HB2 PHE 46 HB2 PHE 46 62.789 12.969 2.747
355 HB3 PHE 46 HB1 PHE 46 63.544 13.559 4.230
356 HD1 PHE 46 HD2 PHE 46 63.885 15.995 4.590
357 HD2 PHE 46 HD1 PHE 46 61.817 14.486 1.140
358 HE1 PHE 46 HE2 PHE 46 62.974 18.260 4.144
359 HE2 PHE 46 HE1 PHE 46 60.909 16.748 0.694
360 HZ PHE 46 HZ PHE 46 61.485 18.637 2.194
361 H TRP 47 HN TRP 47 64.436 11.213 1.744
362 HA TRP 47 HA TRP 47 65.467 9.742 3.910
363 HB2 TRP 47 HB2 TRP 47 63.946 8.673 2.423
364 HB3 TRP 47 HB1 TRP 47 64.965 9.019 1.027
365 HD1 TRP 47 HD1 TRP 47 66.655 7.221 0.369
366 HE1 TRP 47 HE1 TRP 47 67.562 5.075 1.478
367 HE3 TRP 47 HE3 TRP 47 64.523 7.648 4.991
368 HZ2 TRP 47 HZ2 TRP 47 67.410 3.727 3.995
369 HZ3 TRP 47 HZ3 TRP 47 64.926 5.922 6.727
370 HH2 TRP 47 HH2 TRP 47 66.367 3.964 6.233
371 H ASN 48 HN ASN 48 66.947 10.702 0.828
372 HA ASN 48 HA ASN 48 69.381 9.305 1.164
373 HB2 ASN 48 HB2 ASN 48 68.679 10.232 -0.994
374 HB3 ASN 48 HB1 ASN 48 68.811 11.866 -0.346
375 HD21 ASN 48 HD21 ASN 48 70.357 11.206 -2.577
376 HD22 ASN 48 HD22 ASN 48 71.990 11.089 -2.133
377 H ASP 49 HN ASP 49 68.344 12.565 2.112
378 HA ASP 49 HA ASP 49 70.845 13.497 3.022
379 HB2 ASP 49 HB2 ASP 49 68.920 14.976 2.661
380 HB3 ASP 49 HB1 ASP 49 68.073 14.212 4.004
381 H PHE 50 HN PHE 50 68.255 11.709 4.634
382 HA PHE 50 HA PHE 50 70.145 11.119 6.827
383 HB2 PHE 50 HB2 PHE 50 67.218 11.845 7.074
384 HB3 PHE 50 HB1 PHE 50 68.177 11.145 8.383
385 HD1 PHE 50 HD1 PHE 50 70.129 12.374 9.308
386 HD2 PHE 50 HD2 PHE 50 67.492 14.141 6.414
387 HE1 PHE 50 HE1 PHE 50 71.017 14.621 9.870
388 HE2 PHE 50 HE2 PHE 50 68.377 16.387 6.976
389 HZ PHE 50 HZ PHE 50 70.141 16.628 8.704
Start of MODEL 16
1 H1 MET 1 HT1 MET 1 22.143 2.559 6.701
2 H2 MET 1 HT2 MET 1 21.158 1.367 7.404
3 H3 MET 1 HT3 MET 1 22.576 1.875 8.191
4 HA MET 1 HA MET 1 20.761 4.029 7.617
5 HB2 MET 1 HB2 MET 1 19.948 1.737 9.421
6 HB3 MET 1 HB1 MET 1 19.217 3.342 9.481
7 HG2 MET 1 HG2 MET 1 18.513 3.154 7.153
8 HG3 MET 1 HG1 MET 1 19.329 1.600 7.002
9 HE1 MET 1 HE1 MET 1 16.757 3.738 8.516
10 HE2 MET 1 HE2 MET 1 16.986 2.982 10.089
11 HE3 MET 1 HE3 MET 1 15.499 2.694 9.192
12 H ALA 2 HN ALA 2 21.309 5.662 8.966
13 HA ALA 2 HA ALA 2 23.631 5.455 10.580
14 HB1 ALA 2 HB1 ALA 2 23.542 7.702 10.553
15 HB2 ALA 2 HB2 ALA 2 21.908 7.725 11.215
16 HB3 ALA 2 HB3 ALA 2 22.153 7.524 9.480
17 H GLU 3 HN GLU 3 23.898 5.458 12.821
18 HA GLU 3 HA GLU 3 21.966 4.056 14.351
19 HB2 GLU 3 HB2 GLU 3 24.368 5.688 15.233
20 HB3 GLU 3 HB1 GLU 3 23.434 4.627 16.289
21 HG2 GLU 3 HG2 GLU 3 24.832 3.707 13.755
22 HG3 GLU 3 HG1 GLU 3 25.484 3.525 15.385
23 H ALA 4 HN ALA 4 22.835 7.476 14.132
24 HA ALA 4 HA ALA 4 20.249 8.383 14.885
25 HB1 ALA 4 HB1 ALA 4 21.029 9.468 17.065
26 HB2 ALA 4 HB2 ALA 4 22.382 8.337 17.017
27 HB3 ALA 4 HB3 ALA 4 20.730 7.730 17.115
28 H HIS 5 HN HIS 5 23.320 8.782 13.684
29 HA HIS 5 HA HIS 5 23.772 11.554 14.095
30 HB2 HIS 5 HB2 HIS 5 24.757 9.632 11.978
31 HB3 HIS 5 HB1 HIS 5 25.258 11.322 12.042
32 HD2 HIS 5 HD2 HIS 5 27.094 11.944 14.096
33 HE1 HIS 5 HE1 HIS 5 27.304 8.071 15.758
34 HE2 HIS 5 HE2 HIS 5 28.268 10.418 15.859
35 H GLN 6 HN GLN 6 22.127 9.723 11.557
36 HA GLN 6 HA GLN 6 20.952 10.432 9.694
37 HB2 GLN 6 HB2 GLN 6 19.298 10.655 11.504
38 HB3 GLN 6 HB1 GLN 6 19.845 12.306 11.804
39 HG2 GLN 6 HG2 GLN 6 19.147 13.000 9.584
40 HG3 GLN 6 HG1 GLN 6 18.763 11.338 9.143
41 HE21 GLN 6 HE21 GLN 6 16.779 13.395 9.017
42 HE22 GLN 6 HE22 GLN 6 15.609 13.074 10.205
43 H ALA 7 HN ALA 7 22.691 11.303 8.466
44 HA ALA 7 HA ALA 7 23.611 13.981 8.760
45 HB1 ALA 7 HB1 ALA 7 23.963 13.113 6.073
46 HB2 ALA 7 HB2 ALA 7 24.216 11.721 7.124
47 HB3 ALA 7 HB3 ALA 7 25.168 13.187 7.360
48 H VAL 8 HN VAL 8 23.049 15.852 7.668
49 HA VAL 8 HA VAL 8 20.743 15.713 5.835
50 HB VAL 8 HB VAL 8 19.791 17.720 6.958
51 HG11 VAL 8 HG11 VAL 8 18.961 15.464 7.538
52 HG12 VAL 8 HG12 VAL 8 18.973 16.495 8.972
53 HG13 VAL 8 HG13 VAL 8 20.241 15.294 8.738
54 HG21 VAL 8 HG21 VAL 8 22.008 17.130 8.949
55 HG22 VAL 8 HG22 VAL 8 20.683 18.259 9.238
56 HG23 VAL 8 HG23 VAL 8 21.852 18.580 7.958
57 H GLY 9 HN GLY 9 20.501 17.661 4.515
58 HA2 GLY 9 HA2 GLY 9 22.460 19.701 4.383
59 HA3 GLY 9 HA1 GLY 9 22.871 18.421 3.246
60 H PHE 10 HN PHE 10 22.401 20.753 2.103
61 HA PHE 10 HA PHE 10 19.633 21.185 1.461
62 HB2 PHE 10 HB2 PHE 10 22.123 22.228 0.086
63 HB3 PHE 10 HB1 PHE 10 20.481 22.837 -0.118
64 HD1 PHE 10 HD1 PHE 10 19.266 23.823 1.846
65 HD2 PHE 10 HD2 PHE 10 23.455 22.884 1.956
66 HE1 PHE 10 HE1 PHE 10 19.545 25.297 3.820
67 HE2 PHE 10 HE2 PHE 10 23.731 24.355 3.934
68 HZ PHE 10 HZ PHE 10 21.777 25.566 4.859
69 H ARG 11 HN ARG 11 18.525 20.613 -0.381
70 HA ARG 11 HA ARG 11 17.918 19.075 -2.008
71 HB2 ARG 11 HB2 ARG 11 20.549 20.100 -3.099
72 HB3 ARG 11 HB1 ARG 11 19.288 19.306 -4.044
73 HG2 ARG 11 HG2 ARG 11 17.698 21.121 -3.211
74 HG3 ARG 11 HG1 ARG 11 19.127 21.964 -2.608
75 HD2 ARG 11 HD2 ARG 11 20.035 21.584 -5.036
76 HD3 ARG 11 HD1 ARG 11 18.333 21.374 -5.442
77 HE ARG 11 HE ARG 11 18.033 23.655 -5.123
78 HH11 ARG 11 HH21 ARG 11 21.018 22.581 -3.736
79 HH12 ARG 11 HH22 ARG 11 21.578 24.178 -3.365
80 HH21 ARG 11 HH11 ARG 11 18.769 25.746 -4.644
81 HH22 ARG 11 HH12 ARG 11 20.307 25.966 -3.880
82 HA PRO 12 HA PRO 12 20.664 15.745 -0.217
83 HB2 PRO 12 HB2 PRO 12 18.006 14.399 -0.371
84 HB3 PRO 12 HB1 PRO 12 19.206 14.390 0.935
85 HG2 PRO 12 HG2 PRO 12 16.977 15.815 1.133
86 HG3 PRO 12 HG1 PRO 12 18.520 16.414 1.768
87 HD2 PRO 12 HD2 PRO 12 17.061 17.239 -0.718
88 HD3 PRO 12 HD1 PRO 12 18.048 18.222 0.387
89 H SER 13 HN SER 13 18.126 15.600 -2.699
90 HA SER 13 HA SER 13 18.973 13.252 -3.991
91 HB2 SER 13 HB2 SER 13 17.566 15.659 -5.153
92 HB3 SER 13 HB1 SER 13 17.686 14.074 -5.912
93 HG SER 13 HG SER 13 15.799 14.023 -4.821
94 H LEU 14 HN LEU 14 19.864 16.634 -4.468
95 HA LEU 14 HA LEU 14 21.433 16.288 -6.777
96 HB2 LEU 14 HB2 LEU 14 20.664 18.487 -5.999
97 HB3 LEU 14 HB1 LEU 14 21.685 18.345 -4.569
98 HG LEU 14 HG LEU 14 23.702 18.294 -5.990
99 HD11 LEU 14 HD11 LEU 14 21.633 18.240 -8.161
100 HD12 LEU 14 HD12 LEU 14 23.125 17.308 -8.019
101 HD13 LEU 14 HD13 LEU 14 23.187 19.012 -8.470
102 HD21 LEU 14 HD21 LEU 14 22.257 20.472 -5.355
103 HD22 LEU 14 HD22 LEU 14 22.195 20.608 -7.112
104 HD23 LEU 14 HD23 LEU 14 23.753 20.573 -6.283
105 H THR 15 HN THR 15 22.273 16.168 -3.323
106 HA THR 15 HA THR 15 24.904 15.029 -4.094
107 HB THR 15 HB THR 15 24.263 16.720 -1.671
108 HG1 THR 15 HG1 THR 15 24.889 17.354 -4.169
109 HG21 THR 15 HG21 THR 15 26.882 16.673 -1.625
110 HG22 THR 15 HG22 THR 15 26.695 15.192 -2.566
111 HG23 THR 15 HG23 THR 15 25.982 15.312 -0.957
112 H SER 16 HN SER 16 25.358 13.071 -3.406
113 HA SER 16 HA SER 16 23.465 11.563 -1.866
114 HB2 SER 16 HB2 SER 16 26.198 10.974 -2.986
115 HB3 SER 16 HB1 SER 16 25.364 9.814 -1.950
116 HG SER 16 HG SER 16 24.708 9.322 -3.973
117 H ASP 17 HN ASP 17 23.686 10.717 0.210
118 HA ASP 17 HA ASP 17 24.873 12.410 2.138
119 HB2 ASP 17 HB2 ASP 17 23.762 9.595 2.282
120 HB3 ASP 17 HB1 ASP 17 24.356 10.452 3.700
121 H GLY 18 HN GLY 18 25.921 9.445 0.544
122 HA2 GLY 18 HA2 GLY 18 28.077 8.558 0.364
123 HA3 GLY 18 HA1 GLY 18 28.669 9.988 1.209
124 H ALA 19 HN ALA 19 26.106 8.160 2.682
125 HA ALA 19 HA ALA 19 27.534 7.723 5.082
126 HB1 ALA 19 HB1 ALA 19 25.628 6.156 5.591
127 HB2 ALA 19 HB2 ALA 19 25.049 6.433 3.948
128 HB3 ALA 19 HB3 ALA 19 25.128 7.773 5.092
129 H GLU 20 HN GLU 20 26.959 5.650 2.253
130 HA GLU 20 HA GLU 20 27.845 3.619 1.639
131 HB2 GLU 20 HB2 GLU 20 30.102 4.714 3.323
132 HB3 GLU 20 HB1 GLU 20 30.230 3.243 2.360
133 HG2 GLU 20 HG2 GLU 20 29.712 4.492 0.326
134 HG3 GLU 20 HG1 GLU 20 29.488 5.970 1.264
135 H VAL 21 HN VAL 21 26.529 2.115 2.513
136 HA VAL 21 HA VAL 21 26.340 1.459 5.250
137 HB VAL 21 HB VAL 21 25.660 -0.100 2.753
138 HG11 VAL 21 HG11 VAL 21 24.202 -1.369 4.510
139 HG12 VAL 21 HG12 VAL 21 25.377 -0.757 5.676
140 HG13 VAL 21 HG13 VAL 21 25.906 -1.796 4.353
141 HG21 VAL 21 HG21 VAL 21 24.490 2.131 3.679
142 HG22 VAL 21 HG22 VAL 21 23.669 0.960 4.711
143 HG23 VAL 21 HG23 VAL 21 23.554 0.821 2.957
144 H GLU 22 HN GLU 22 28.202 -0.038 2.609
145 HA GLU 22 HA GLU 22 29.299 -2.127 4.184
146 HB2 GLU 22 HB2 GLU 22 30.239 -0.838 1.616
147 HB3 GLU 22 HB1 GLU 22 30.981 -2.275 2.325
148 HG2 GLU 22 HG2 GLU 22 28.863 -3.474 2.211
149 HG3 GLU 22 HG1 GLU 22 28.050 -2.033 1.604
150 H LEU 23 HN LEU 23 30.451 1.125 3.368
151 HA LEU 23 HA LEU 23 32.426 2.206 3.984
152 HB2 LEU 23 HB2 LEU 23 30.680 2.688 5.708
153 HB3 LEU 23 HB1 LEU 23 31.320 1.359 6.669
154 HG LEU 23 HG LEU 23 33.528 2.489 6.738
155 HD11 LEU 23 HD11 LEU 23 33.769 3.871 4.902
156 HD12 LEU 23 HD12 LEU 23 33.252 5.064 6.090
157 HD13 LEU 23 HD13 LEU 23 32.086 4.401 4.944
158 HD21 LEU 23 HD21 LEU 23 32.603 3.200 8.676
159 HD22 LEU 23 HD22 LEU 23 31.039 3.479 7.911
160 HD23 LEU 23 HD23 LEU 23 32.288 4.723 7.843
161 H SER 24 HN SER 24 33.851 0.466 3.107
162 HA SER 24 HA SER 24 34.865 -1.548 4.871
163 HB2 SER 24 HB2 SER 24 35.619 -0.525 2.158
164 HB3 SER 24 HB1 SER 24 36.671 -1.652 3.003
165 HG SER 24 HG SER 24 35.332 -3.035 2.105
166 H ALA 25 HN ALA 25 36.451 -1.469 6.316
167 HA ALA 25 HA ALA 25 37.834 0.994 6.879
168 HB1 ALA 25 HB1 ALA 25 38.013 0.078 8.909
169 HB2 ALA 25 HB2 ALA 25 38.972 -1.252 8.258
170 HB3 ALA 25 HB3 ALA 25 37.213 -1.368 8.297
171 HA PRO 26 HA PRO 26 41.548 -1.909 5.425
172 HB2 PRO 26 HB2 PRO 26 40.058 -3.360 3.294
173 HB3 PRO 26 HB1 PRO 26 41.307 -3.956 4.406
174 HG2 PRO 26 HG2 PRO 26 38.761 -4.600 4.754
175 HG3 PRO 26 HG1 PRO 26 39.809 -4.240 6.141
176 HD2 PRO 26 HD2 PRO 26 37.719 -2.513 4.863
177 HD3 PRO 26 HD1 PRO 26 38.115 -2.711 6.579
178 H VAL 27 HN VAL 27 39.102 -0.384 3.428
179 HA VAL 27 HA VAL 27 40.682 -0.054 1.079
180 HB VAL 27 HB VAL 27 38.353 1.524 2.195
181 HG11 VAL 27 HG11 VAL 27 39.323 3.158 0.872
182 HG12 VAL 27 HG12 VAL 27 38.386 2.298 -0.350
183 HG13 VAL 27 HG13 VAL 27 40.115 1.988 -0.181
184 HG21 VAL 27 HG21 VAL 27 38.512 -0.215 -0.274
185 HG22 VAL 27 HG22 VAL 27 37.066 0.363 0.552
186 HG23 VAL 27 HG23 VAL 27 38.080 -0.868 1.306
187 H LEU 28 HN LEU 28 40.125 1.935 3.963
188 HA LEU 28 HA LEU 28 41.759 4.110 3.185
189 HB2 LEU 28 HB2 LEU 28 40.925 3.099 5.914
190 HB3 LEU 28 HB1 LEU 28 41.817 4.598 5.671
191 HG LEU 28 HG LEU 28 39.161 3.969 4.345
192 HD11 LEU 28 HD11 LEU 28 38.690 4.152 6.681
193 HD12 LEU 28 HD12 LEU 28 38.303 5.726 5.987
194 HD13 LEU 28 HD13 LEU 28 39.811 5.499 6.873
195 HD21 LEU 28 HD21 LEU 28 41.099 6.223 4.227
196 HD22 LEU 28 HD22 LEU 28 39.402 6.676 4.360
197 HD23 LEU 28 HD23 LEU 28 39.940 5.663 3.022
198 H GLN 29 HN GLN 29 42.417 1.154 5.018
199 HA GLN 29 HA GLN 29 45.099 1.750 5.702
200 HB2 GLN 29 HB2 GLN 29 43.659 -0.885 5.331
201 HB3 GLN 29 HB1 GLN 29 45.296 -0.745 5.970
202 HG2 GLN 29 HG2 GLN 29 44.491 0.648 7.809
203 HG3 GLN 29 HG1 GLN 29 42.856 0.605 7.153
204 HE21 GLN 29 HE21 GLN 29 42.713 -0.349 9.580
205 HE22 GLN 29 HE22 GLN 29 42.785 -2.043 9.667
206 H GLU 30 HN GLU 30 43.660 0.122 2.884
207 HA GLU 30 HA GLU 30 46.128 -0.651 1.691
208 HB2 GLU 30 HB2 GLU 30 43.943 -1.646 1.058
209 HB3 GLU 30 HB1 GLU 30 43.458 -0.107 0.352
210 HG2 GLU 30 HG2 GLU 30 44.251 -1.506 -1.441
211 HG3 GLU 30 HG1 GLU 30 45.482 -0.278 -1.173
212 H ILE 31 HN ILE 31 44.095 2.266 1.381
213 HA ILE 31 HA ILE 31 45.606 3.459 -0.705
214 HB ILE 31 HB ILE 31 43.866 4.666 1.459
215 HG12 ILE 31 HG12 ILE 31 43.342 4.332 -1.507
216 HG13 ILE 31 HG11 ILE 31 42.866 3.121 -0.318
217 HG21 ILE 31 HG21 ILE 31 45.575 5.876 -0.644
218 HG22 ILE 31 HG22 ILE 31 44.998 6.566 0.873
219 HG23 ILE 31 HG23 ILE 31 43.933 6.511 -0.532
220 HD11 ILE 31 HD11 ILE 31 40.997 4.656 -0.777
221 HD12 ILE 31 HD12 ILE 31 42.007 6.028 -0.322
222 HD13 ILE 31 HD13 ILE 31 41.548 4.833 0.890
223 H TYR 32 HN TYR 32 45.782 3.655 2.847
224 HA TYR 32 HA TYR 32 47.838 5.574 2.998
225 HB2 TYR 32 HB2 TYR 32 46.551 4.937 4.966
226 HB3 TYR 32 HB1 TYR 32 47.170 3.289 4.872
227 HD1 TYR 32 HD2 TYR 32 48.233 6.847 5.319
228 HD2 TYR 32 HD1 TYR 32 49.225 2.704 5.855
229 HE1 TYR 32 HE2 TYR 32 50.220 7.497 6.661
230 HE2 TYR 32 HE1 TYR 32 51.208 3.350 7.194
231 HH TYR 32 HH TYR 32 52.174 5.100 8.339
232 H LEU 33 HN LEU 33 47.991 2.017 2.918
233 HA LEU 33 HA LEU 33 50.801 1.827 3.094
234 HB2 LEU 33 HB2 LEU 33 49.309 -0.093 3.487
235 HB3 LEU 33 HB1 LEU 33 48.822 -0.068 1.794
236 HG LEU 33 HG LEU 33 51.133 -0.555 1.101
237 HD11 LEU 33 HD11 LEU 33 51.624 -0.191 4.037
238 HD12 LEU 33 HD12 LEU 33 52.578 0.374 2.665
239 HD13 LEU 33 HD13 LEU 33 52.636 -1.322 3.138
240 HD21 LEU 33 HD21 LEU 33 49.604 -2.441 1.616
241 HD22 LEU 33 HD22 LEU 33 50.168 -2.425 3.287
242 HD23 LEU 33 HD23 LEU 33 51.281 -2.846 1.987
243 H SER 34 HN SER 34 48.592 2.019 0.326
244 HA SER 34 HA SER 34 50.524 1.689 -1.713
245 HB2 SER 34 HB2 SER 34 47.913 3.220 -1.788
246 HB3 SER 34 HB1 SER 34 48.832 2.680 -3.191
247 HG SER 34 HG SER 34 46.994 1.341 -2.082
248 H GLY 35 HN GLY 35 49.274 4.575 -0.043
249 HA2 GLY 35 HA2 GLY 35 50.607 6.488 -1.635
250 HA3 GLY 35 HA1 GLY 35 50.000 6.745 -0.005
251 H LEU 36 HN LEU 36 51.604 4.732 1.289
252 HA LEU 36 HA LEU 36 53.900 6.224 1.875
253 HB2 LEU 36 HB2 LEU 36 52.904 4.615 3.435
254 HB3 LEU 36 HB1 LEU 36 53.326 3.291 2.354
255 HG LEU 36 HG LEU 36 55.716 3.794 2.638
256 HD11 LEU 36 HD11 LEU 36 54.596 6.135 4.148
257 HD12 LEU 36 HD12 LEU 36 55.940 6.084 3.008
258 HD13 LEU 36 HD13 LEU 36 56.148 5.463 4.645
259 HD21 LEU 36 HD21 LEU 36 55.823 3.330 5.148
260 HD22 LEU 36 HD22 LEU 36 54.839 2.215 4.202
261 HD23 LEU 36 HD23 LEU 36 54.066 3.482 5.155
262 H ARG 37 HN ARG 37 53.452 3.376 -0.237
263 HA ARG 37 HA ARG 37 56.205 3.027 -0.834
264 HB2 ARG 37 HB2 ARG 37 53.695 2.258 -2.334
265 HB3 ARG 37 HB1 ARG 37 55.312 1.821 -2.885
266 HG2 ARG 37 HG2 ARG 37 55.741 0.661 -0.753
267 HG3 ARG 37 HG1 ARG 37 54.137 1.112 -0.178
268 HD2 ARG 37 HD2 ARG 37 54.627 -0.533 -2.674
269 HD3 ARG 37 HD1 ARG 37 54.282 -1.228 -1.094
270 HE ARG 37 HE ARG 37 52.268 0.644 -1.680
271 HH11 ARG 37 HH21 ARG 37 53.524 -2.379 -2.809
272 HH12 ARG 37 HH22 ARG 37 51.997 -2.951 -3.392
273 HH21 ARG 37 HH11 ARG 37 50.259 -0.108 -2.471
274 HH22 ARG 37 HH12 ARG 37 50.162 -1.676 -3.201
275 H SER 38 HN SER 38 53.645 4.942 -2.374
276 HA SER 38 HA SER 38 55.237 5.841 -4.577
277 HB2 SER 38 HB2 SER 38 52.773 5.836 -4.639
278 HB3 SER 38 HB1 SER 38 52.741 7.029 -3.343
279 HG SER 38 HG SER 38 53.074 8.496 -4.798
280 H TRP 39 HN TRP 39 54.417 7.085 -1.394
281 HA TRP 39 HA TRP 39 55.468 9.659 -1.632
282 HB2 TRP 39 HB2 TRP 39 54.015 9.179 0.182
283 HB3 TRP 39 HB1 TRP 39 55.043 7.864 0.741
284 HD1 TRP 39 HD1 TRP 39 56.483 8.479 2.726
285 HE1 TRP 39 HE1 TRP 39 57.555 10.641 3.643
286 HE3 TRP 39 HE3 TRP 39 54.991 11.805 -0.856
287 HZ2 TRP 39 HZ2 TRP 39 57.751 13.409 2.947
288 HZ3 TRP 39 HZ3 TRP 39 55.636 14.188 -0.701
289 HH2 TRP 39 HH2 TRP 39 57.012 14.995 1.193
290 H LYS 40 HN LYS 40 57.033 6.618 -0.762
291 HA LYS 40 HA LYS 40 59.426 7.623 0.275
292 HB2 LYS 40 HB2 LYS 40 58.694 5.241 0.376
293 HB3 LYS 40 HB1 LYS 40 59.081 5.089 -1.337
294 HG2 LYS 40 HG2 LYS 40 61.410 5.674 -0.902
295 HG3 LYS 40 HG1 LYS 40 61.046 5.947 0.804
296 HD2 LYS 40 HD2 LYS 40 60.356 3.581 1.027
297 HD3 LYS 40 HD1 LYS 40 60.766 3.314 -0.670
298 HE2 LYS 40 HE2 LYS 40 62.725 4.319 1.408
299 HE3 LYS 40 HE1 LYS 40 62.592 2.633 0.905
300 HZ1 LYS 40 HZ1 LYS 40 64.098 4.573 -0.301
301 HZ2 LYS 40 HZ2 LYS 40 62.753 4.401 -1.324
302 HZ3 LYS 40 HZ3 LYS 40 63.712 3.052 -0.947
303 H ARG 41 HN ARG 41 58.399 7.302 -3.148
304 HA ARG 41 HA ARG 41 61.015 7.534 -4.218
305 HB2 ARG 41 HB2 ARG 41 58.996 7.010 -5.594
306 HB3 ARG 41 HB1 ARG 41 58.441 8.668 -5.366
307 HG2 ARG 41 HG2 ARG 41 60.530 9.496 -6.426
308 HG3 ARG 41 HG1 ARG 41 61.036 7.828 -6.696
309 HD2 ARG 41 HD2 ARG 41 58.457 9.002 -7.759
310 HD3 ARG 41 HD1 ARG 41 59.946 8.898 -8.694
311 HE ARG 41 HE ARG 41 59.364 6.344 -7.667
312 HH11 ARG 41 HH21 ARG 41 58.143 8.702 -9.874
313 HH12 ARG 41 HH22 ARG 41 57.405 7.541 -10.926
314 HH21 ARG 41 HH11 ARG 41 58.400 4.807 -9.041
315 HH22 ARG 41 HH12 ARG 41 57.546 5.337 -10.452
316 H HIS 42 HN HIS 42 58.575 9.906 -3.281
317 HA HIS 42 HA HIS 42 60.068 12.233 -3.869
318 HB2 HIS 42 HB2 HIS 42 57.831 11.773 -1.887
319 HB3 HIS 42 HB1 HIS 42 58.492 13.361 -2.278
320 HD2 HIS 42 HD2 HIS 42 55.920 10.879 -3.704
321 HE1 HIS 42 HE1 HIS 42 56.676 13.696 -6.758
322 HE2 HIS 42 HE2 HIS 42 55.168 11.783 -6.037
323 H LEU 43 HN LEU 43 60.404 9.938 -1.362
324 HA LEU 43 HA LEU 43 61.743 11.713 0.506
325 HB2 LEU 43 HB2 LEU 43 61.471 8.702 0.550
326 HB3 LEU 43 HB1 LEU 43 62.185 9.679 1.826
327 HG LEU 43 HG LEU 43 59.323 9.896 0.853
328 HD11 LEU 43 HD11 LEU 43 60.512 8.017 2.571
329 HD12 LEU 43 HD12 LEU 43 58.790 8.350 2.410
330 HD13 LEU 43 HD13 LEU 43 59.738 9.185 3.639
331 HD21 LEU 43 HD21 LEU 43 61.017 11.491 2.725
332 HD22 LEU 43 HD22 LEU 43 59.345 11.194 3.198
333 HD23 LEU 43 HD23 LEU 43 59.696 12.018 1.680
334 H SER 44 HN SER 44 62.696 10.232 -2.340
335 HA SER 44 HA SER 44 65.165 9.117 -1.733
336 HB2 SER 44 HB2 SER 44 64.358 8.803 -3.918
337 HB3 SER 44 HB1 SER 44 64.145 10.532 -4.182
338 HG SER 44 HG SER 44 66.090 10.481 -4.955
339 H ARG 45 HN ARG 45 64.513 12.585 -2.509
340 HA ARG 45 HA ARG 45 67.218 13.340 -2.497
341 HB2 ARG 45 HB2 ARG 45 64.708 14.891 -1.817
342 HB3 ARG 45 HB1 ARG 45 66.307 15.632 -1.910
343 HG2 ARG 45 HG2 ARG 45 66.555 14.884 -4.233
344 HG3 ARG 45 HG1 ARG 45 64.989 14.079 -4.158
345 HD2 ARG 45 HD2 ARG 45 63.887 16.242 -3.745
346 HD3 ARG 45 HD1 ARG 45 65.447 17.058 -3.811
347 HE ARG 45 HE ARG 45 64.927 15.512 -6.178
348 HH11 ARG 45 HH21 ARG 45 64.278 18.476 -4.519
349 HH12 ARG 45 HH22 ARG 45 63.967 19.381 -5.963
350 HH21 ARG 45 HH11 ARG 45 64.525 16.699 -8.086
351 HH22 ARG 45 HH12 ARG 45 64.118 18.380 -7.980
352 H PHE 46 HN PHE 46 64.840 13.432 0.156
353 HA PHE 46 HA PHE 46 66.662 14.332 2.141
354 HB2 PHE 46 HB2 PHE 46 63.998 12.911 2.340
355 HB3 PHE 46 HB1 PHE 46 64.891 13.507 3.739
356 HD1 PHE 46 HD2 PHE 46 65.241 15.919 4.087
357 HD2 PHE 46 HD1 PHE 46 62.943 14.433 0.775
358 HE1 PHE 46 HE2 PHE 46 64.334 18.194 3.695
359 HE2 PHE 46 HE1 PHE 46 62.035 16.706 0.387
360 HZ PHE 46 HZ PHE 46 62.733 18.589 1.846
361 H TRP 47 HN TRP 47 65.590 11.140 1.126
362 HA TRP 47 HA TRP 47 66.774 9.647 3.199
363 HB2 TRP 47 HB2 TRP 47 65.077 8.748 1.639
364 HB3 TRP 47 HB1 TRP 47 66.273 8.793 0.342
365 HD1 TRP 47 HD1 TRP 47 65.501 7.043 3.650
366 HE1 TRP 47 HE1 TRP 47 66.848 4.847 3.754
367 HE3 TRP 47 HE3 TRP 47 68.347 7.558 -0.553
368 HZ2 TRP 47 HZ2 TRP 47 68.867 3.489 2.248
369 HZ3 TRP 47 HZ3 TRP 47 69.972 5.802 -1.201
370 HH2 TRP 47 HH2 TRP 47 70.236 3.769 0.194
371 H ASN 48 HN ASN 48 68.039 10.721 0.069
372 HA ASN 48 HA ASN 48 70.479 9.306 0.147
373 HB2 ASN 48 HB2 ASN 48 69.592 11.846 -1.215
374 HB3 ASN 48 HB1 ASN 48 71.243 11.250 -1.367
375 HD21 ASN 48 HD21 ASN 48 69.467 11.410 -3.616
376 HD22 ASN 48 HD22 ASN 48 69.146 9.828 -4.140
377 H ASP 49 HN ASP 49 69.521 12.495 1.358
378 HA ASP 49 HA ASP 49 72.187 12.934 2.493
379 HB2 ASP 49 HB2 ASP 49 70.916 14.759 1.301
380 HB3 ASP 49 HB1 ASP 49 69.765 14.733 2.637
381 H PHE 50 HN PHE 50 72.566 11.990 4.388
382 HA PHE 50 HA PHE 50 72.299 11.230 6.543
383 HB2 PHE 50 HB2 PHE 50 72.065 13.618 7.013
384 HB3 PHE 50 HB1 PHE 50 70.345 13.542 6.633
385 HD1 PHE 50 HD2 PHE 50 72.942 12.095 8.906
386 HD2 PHE 50 HD1 PHE 50 68.777 12.962 8.293
387 HE1 PHE 50 HE2 PHE 50 72.455 11.412 11.240
388 HE2 PHE 50 HE1 PHE 50 68.294 12.282 10.629
389 HZ PHE 50 HZ PHE 50 70.132 11.508 12.101
Start of MODEL 17
1 H1 MET 1 HT1 MET 1 24.735 11.143 49.881
2 H2 MET 1 HT2 MET 1 23.091 11.513 49.666
3 H3 MET 1 HT3 MET 1 23.813 11.679 51.198
4 HA MET 1 HA MET 1 23.707 13.853 50.438
5 HB2 MET 1 HB2 MET 1 26.404 12.676 49.705
6 HB3 MET 1 HB1 MET 1 26.091 14.412 49.775
7 HG2 MET 1 HG2 MET 1 25.379 14.167 52.140
8 HG3 MET 1 HG1 MET 1 25.752 12.448 52.060
9 HE1 MET 1 HE1 MET 1 26.940 13.996 54.320
10 HE2 MET 1 HE2 MET 1 28.620 13.467 54.280
11 HE3 MET 1 HE3 MET 1 27.331 12.321 53.923
12 H ALA 2 HN ALA 2 25.697 12.410 47.889
13 HA ALA 2 HA ALA 2 24.703 14.132 45.870
14 HB1 ALA 2 HB1 ALA 2 25.935 12.635 44.334
15 HB2 ALA 2 HB2 ALA 2 26.165 11.489 45.657
16 HB3 ALA 2 HB3 ALA 2 26.913 13.086 45.730
17 H GLU 3 HN GLU 3 23.204 13.783 44.272
18 HA GLU 3 HA GLU 3 21.008 12.105 44.890
19 HB2 GLU 3 HB2 GLU 3 21.721 13.621 42.370
20 HB3 GLU 3 HB1 GLU 3 20.190 12.781 42.614
21 HG2 GLU 3 HG2 GLU 3 19.675 14.166 44.546
22 HG3 GLU 3 HG1 GLU 3 21.249 14.951 44.447
23 H ALA 4 HN ALA 4 23.760 11.765 42.685
24 HA ALA 4 HA ALA 4 22.951 8.953 42.253
25 HB1 ALA 4 HB1 ALA 4 22.409 9.923 40.178
26 HB2 ALA 4 HB2 ALA 4 24.025 9.263 39.928
27 HB3 ALA 4 HB3 ALA 4 23.810 10.989 40.210
28 H HIS 5 HN HIS 5 24.636 7.457 42.115
29 HA HIS 5 HA HIS 5 27.002 8.085 43.550
30 HB2 HIS 5 HB2 HIS 5 26.185 5.727 41.860
31 HB3 HIS 5 HB1 HIS 5 27.739 5.804 42.690
32 HD2 HIS 5 HD2 HIS 5 27.616 5.359 45.455
33 HE1 HIS 5 HE1 HIS 5 23.416 5.004 45.717
34 HE2 HIS 5 HE2 HIS 5 25.598 4.741 46.994
35 H GLN 6 HN GLN 6 26.313 7.685 40.107
36 HA GLN 6 HA GLN 6 29.032 8.656 39.463
37 HB2 GLN 6 HB2 GLN 6 27.077 6.987 37.873
38 HB3 GLN 6 HB1 GLN 6 28.543 7.681 37.188
39 HG2 GLN 6 HG2 GLN 6 29.898 6.480 38.855
40 HG3 GLN 6 HG1 GLN 6 28.429 5.799 39.556
41 HE21 GLN 6 HE21 GLN 6 30.906 5.067 37.439
42 HE22 GLN 6 HE22 GLN 6 30.114 3.896 36.492
43 H ALA 7 HN ALA 7 29.078 10.742 38.917
44 HA ALA 7 HA ALA 7 26.645 12.069 37.975
45 HB1 ALA 7 HB1 ALA 7 28.086 14.133 38.231
46 HB2 ALA 7 HB2 ALA 7 29.341 13.075 38.882
47 HB3 ALA 7 HB3 ALA 7 27.792 13.223 39.716
48 H VAL 8 HN VAL 8 29.417 10.639 36.625
49 HA VAL 8 HA VAL 8 29.948 12.395 34.467
50 HB VAL 8 HB VAL 8 31.481 10.576 35.126
51 HG11 VAL 8 HG11 VAL 8 29.589 8.920 35.536
52 HG12 VAL 8 HG12 VAL 8 30.991 8.282 34.688
53 HG13 VAL 8 HG13 VAL 8 29.531 8.691 33.794
54 HG21 VAL 8 HG21 VAL 8 32.163 10.017 32.914
55 HG22 VAL 8 HG22 VAL 8 31.358 11.578 32.770
56 HG23 VAL 8 HG23 VAL 8 30.516 10.101 32.301
57 H GLY 9 HN GLY 9 27.711 9.685 34.835
58 HA2 GLY 9 HA2 GLY 9 25.720 9.304 33.709
59 HA3 GLY 9 HA1 GLY 9 26.039 10.722 32.716
60 H PHE 10 HN PHE 10 25.125 9.011 31.151
61 HA PHE 10 HA PHE 10 27.302 7.311 30.106
62 HB2 PHE 10 HB2 PHE 10 24.298 7.139 29.890
63 HB3 PHE 10 HB1 PHE 10 25.382 6.173 28.887
64 HD1 PHE 10 HD1 PHE 10 26.860 4.486 29.892
65 HD2 PHE 10 HD2 PHE 10 24.085 6.739 32.269
66 HE1 PHE 10 HE1 PHE 10 27.164 2.887 31.761
67 HE2 PHE 10 HE2 PHE 10 24.387 5.142 34.139
68 HZ PHE 10 HZ PHE 10 25.927 3.216 33.886
69 H ARG 11 HN ARG 11 27.970 7.511 28.009
70 HA ARG 11 HA ARG 11 26.571 9.398 26.258
71 HB2 ARG 11 HB2 ARG 11 29.252 9.782 27.459
72 HB3 ARG 11 HB1 ARG 11 29.130 10.129 25.739
73 HG2 ARG 11 HG2 ARG 11 27.467 11.787 26.080
74 HG3 ARG 11 HG1 ARG 11 27.130 11.224 27.716
75 HD2 ARG 11 HD2 ARG 11 29.414 11.916 28.405
76 HD3 ARG 11 HD1 ARG 11 29.698 12.535 26.778
77 HE ARG 11 HE ARG 11 27.353 13.623 28.089
78 HH11 ARG 11 HH21 ARG 11 30.759 13.846 27.531
79 HH12 ARG 11 HH22 ARG 11 30.835 15.549 27.828
80 HH21 ARG 11 HH11 ARG 11 27.452 15.855 28.501
81 HH22 ARG 11 HH12 ARG 11 28.968 16.684 28.382
82 HA PRO 12 HA PRO 12 27.601 6.434 23.166
83 HB2 PRO 12 HB2 PRO 12 28.039 8.031 20.967
84 HB3 PRO 12 HB1 PRO 12 26.430 7.642 21.604
85 HG2 PRO 12 HG2 PRO 12 28.062 10.098 21.965
86 HG3 PRO 12 HG1 PRO 12 26.317 9.927 21.736
87 HD2 PRO 12 HD2 PRO 12 27.432 10.397 24.178
88 HD3 PRO 12 HD1 PRO 12 25.926 9.472 23.976
89 H SER 13 HN SER 13 29.755 8.967 23.977
90 HA SER 13 HA SER 13 31.991 8.353 22.393
91 HB2 SER 13 HB2 SER 13 31.903 9.506 25.189
92 HB3 SER 13 HB1 SER 13 33.269 9.588 24.076
93 HG SER 13 HG SER 13 32.323 11.315 23.352
94 H LEU 14 HN LEU 14 30.877 7.030 25.491
95 HA LEU 14 HA LEU 14 33.186 5.529 26.109
96 HB2 LEU 14 HB2 LEU 14 31.415 5.967 27.750
97 HB3 LEU 14 HB1 LEU 14 30.287 4.988 26.813
98 HG LEU 14 HG LEU 14 31.691 2.994 27.176
99 HD11 LEU 14 HD11 LEU 14 33.517 5.025 28.417
100 HD12 LEU 14 HD12 LEU 14 33.911 3.660 27.373
101 HD13 LEU 14 HD13 LEU 14 33.502 3.384 29.067
102 HD21 LEU 14 HD21 LEU 14 31.030 4.540 29.698
103 HD22 LEU 14 HD22 LEU 14 31.385 2.813 29.651
104 HD23 LEU 14 HD23 LEU 14 29.960 3.445 28.824
105 H THR 15 HN THR 15 30.257 4.678 24.256
106 HA THR 15 HA THR 15 31.295 2.020 23.696
107 HB THR 15 HB THR 15 29.256 1.720 22.392
108 HG1 THR 15 HG1 THR 15 27.855 3.800 22.792
109 HG21 THR 15 HG21 THR 15 28.274 1.277 24.362
110 HG22 THR 15 HG22 THR 15 27.840 2.981 24.513
111 HG23 THR 15 HG23 THR 15 29.369 2.395 25.176
112 H SER 16 HN SER 16 31.378 1.253 21.395
113 HA SER 16 HA SER 16 33.228 2.860 19.959
114 HB2 SER 16 HB2 SER 16 33.235 0.397 19.798
115 HB3 SER 16 HB1 SER 16 31.669 0.441 18.992
116 HG SER 16 HG SER 16 34.026 1.750 18.083
117 H ASP 17 HN ASP 17 32.987 4.216 18.270
118 HA ASP 17 HA ASP 17 30.237 4.982 17.578
119 HB2 ASP 17 HB2 ASP 17 31.918 6.720 18.341
120 HB3 ASP 17 HB1 ASP 17 32.786 6.426 16.836
121 H GLY 18 HN GLY 18 29.442 3.889 15.897
122 HA2 GLY 18 HA2 GLY 18 31.129 2.808 13.824
123 HA3 GLY 18 HA1 GLY 18 29.367 2.744 13.879
124 H ALA 19 HN ALA 19 31.312 3.532 11.699
125 HA ALA 19 HA ALA 19 29.809 5.852 10.813
126 HB1 ALA 19 HB1 ALA 19 31.720 7.288 10.451
127 HB2 ALA 19 HB2 ALA 19 32.822 6.046 11.043
128 HB3 ALA 19 HB3 ALA 19 31.689 6.822 12.149
129 H GLU 20 HN GLU 20 30.026 6.235 8.538
130 HA GLU 20 HA GLU 20 30.456 3.890 6.990
131 HB2 GLU 20 HB2 GLU 20 28.902 5.705 6.325
132 HB3 GLU 20 HB1 GLU 20 30.285 6.764 6.058
133 HG2 GLU 20 HG2 GLU 20 31.155 5.239 4.340
134 HG3 GLU 20 HG1 GLU 20 29.822 4.125 4.639
135 H VAL 21 HN VAL 21 32.379 6.802 7.592
136 HA VAL 21 HA VAL 21 34.468 6.251 5.756
137 HB VAL 21 HB VAL 21 34.147 8.472 6.802
138 HG11 VAL 21 HG11 VAL 21 34.440 8.858 9.096
139 HG12 VAL 21 HG12 VAL 21 35.356 7.365 9.326
140 HG13 VAL 21 HG13 VAL 21 33.612 7.301 9.079
141 HG21 VAL 21 HG21 VAL 21 36.781 7.984 7.910
142 HG22 VAL 21 HG22 VAL 21 36.347 8.850 6.441
143 HG23 VAL 21 HG23 VAL 21 36.586 7.103 6.392
144 H GLU 22 HN GLU 22 33.906 5.363 9.123
145 HA GLU 22 HA GLU 22 36.434 4.189 9.634
146 HB2 GLU 22 HB2 GLU 22 34.822 4.876 11.395
147 HB3 GLU 22 HB1 GLU 22 33.761 3.556 10.906
148 HG2 GLU 22 HG2 GLU 22 35.480 1.913 11.458
149 HG3 GLU 22 HG1 GLU 22 36.618 3.198 11.850
150 H LEU 23 HN LEU 23 33.373 2.828 8.425
151 HA LEU 23 HA LEU 23 34.196 0.120 8.455
152 HB2 LEU 23 HB2 LEU 23 32.189 1.607 6.739
153 HB3 LEU 23 HB1 LEU 23 32.409 -0.139 6.656
154 HG LEU 23 HG LEU 23 31.786 1.359 9.225
155 HD11 LEU 23 HD11 LEU 23 29.844 1.664 7.898
156 HD12 LEU 23 HD12 LEU 23 29.490 0.253 8.890
157 HD13 LEU 23 HD13 LEU 23 29.964 0.044 7.207
158 HD21 LEU 23 HD21 LEU 23 32.363 -0.638 10.132
159 HD22 LEU 23 HD22 LEU 23 32.437 -1.420 8.556
160 HD23 LEU 23 HD23 LEU 23 30.895 -1.282 9.397
161 H SER 24 HN SER 24 34.403 2.653 6.008
162 HA SER 24 HA SER 24 35.481 1.162 3.901
163 HB2 SER 24 HB2 SER 24 35.916 3.198 2.872
164 HB3 SER 24 HB1 SER 24 34.656 3.641 4.018
165 HG SER 24 HG SER 24 37.406 4.158 4.051
166 H ALA 25 HN ALA 25 36.798 0.978 6.778
167 HA ALA 25 HA ALA 25 39.369 1.872 6.790
168 HB1 ALA 25 HB1 ALA 25 39.431 -0.781 7.818
169 HB2 ALA 25 HB2 ALA 25 37.868 -0.077 8.218
170 HB3 ALA 25 HB3 ALA 25 39.356 0.743 8.708
171 HA PRO 26 HA PRO 26 40.807 -2.229 4.471
172 HB2 PRO 26 HB2 PRO 26 38.458 -2.385 2.622
173 HB3 PRO 26 HB1 PRO 26 39.419 -3.697 3.332
174 HG2 PRO 26 HG2 PRO 26 37.005 -3.166 4.255
175 HG3 PRO 26 HG1 PRO 26 38.324 -3.584 5.364
176 HD2 PRO 26 HD2 PRO 26 37.129 -0.899 4.784
177 HD3 PRO 26 HD1 PRO 26 37.707 -1.554 6.334
178 H VAL 27 HN VAL 27 38.756 0.198 2.868
179 HA VAL 27 HA VAL 27 40.341 0.481 0.505
180 HB VAL 27 HB VAL 27 38.354 2.320 1.859
181 HG11 VAL 27 HG11 VAL 27 39.692 3.795 0.599
182 HG12 VAL 27 HG12 VAL 27 38.392 3.372 -0.516
183 HG13 VAL 27 HG13 VAL 27 39.971 2.606 -0.665
184 HG21 VAL 27 HG21 VAL 27 37.987 0.968 -0.785
185 HG22 VAL 27 HG22 VAL 27 36.781 1.387 0.434
186 HG23 VAL 27 HG23 VAL 27 37.834 -0.006 0.677
187 H LEU 28 HN LEU 28 40.157 2.153 3.577
188 HA LEU 28 HA LEU 28 42.039 4.190 3.102
189 HB2 LEU 28 HB2 LEU 28 41.150 2.809 5.628
190 HB3 LEU 28 HB1 LEU 28 42.201 4.219 5.622
191 HG LEU 28 HG LEU 28 39.469 4.127 4.316
192 HD11 LEU 28 HD11 LEU 28 40.301 4.601 7.101
193 HD12 LEU 28 HD12 LEU 28 38.706 4.203 6.450
194 HD13 LEU 28 HD13 LEU 28 39.276 5.873 6.428
195 HD21 LEU 28 HD21 LEU 28 40.406 5.941 3.289
196 HD22 LEU 28 HD22 LEU 28 41.633 6.152 4.534
197 HD23 LEU 28 HD23 LEU 28 39.991 6.736 4.805
198 H GLN 29 HN GLN 29 42.378 0.915 4.432
199 HA GLN 29 HA GLN 29 45.113 1.153 5.110
200 HB2 GLN 29 HB2 GLN 29 43.423 -1.268 4.478
201 HB3 GLN 29 HB1 GLN 29 45.094 -1.366 5.038
202 HG2 GLN 29 HG2 GLN 29 44.504 -0.123 7.076
203 HG3 GLN 29 HG1 GLN 29 42.836 0.014 6.519
204 HE21 GLN 29 HE21 GLN 29 44.840 -1.845 8.474
205 HE22 GLN 29 HE22 GLN 29 43.921 -3.270 8.506
206 H GLU 30 HN GLU 30 43.527 -0.014 2.137
207 HA GLU 30 HA GLU 30 45.912 -0.843 0.842
208 HB2 GLU 30 HB2 GLU 30 43.195 -0.065 -0.217
209 HB3 GLU 30 HB1 GLU 30 44.480 -0.729 -1.226
210 HG2 GLU 30 HG2 GLU 30 44.558 -2.751 0.143
211 HG3 GLU 30 HG1 GLU 30 43.349 -2.080 1.242
212 H ILE 31 HN ILE 31 44.087 2.266 0.659
213 HA ILE 31 HA ILE 31 45.867 3.357 -1.291
214 HB ILE 31 HB ILE 31 43.548 4.232 -0.863
215 HG12 ILE 31 HG12 ILE 31 45.693 6.344 -0.533
216 HG13 ILE 31 HG11 ILE 31 45.397 5.503 -2.055
217 HG21 ILE 31 HG21 ILE 31 44.851 5.580 1.518
218 HG22 ILE 31 HG22 ILE 31 43.757 4.207 1.629
219 HG23 ILE 31 HG23 ILE 31 43.173 5.741 0.992
220 HD11 ILE 31 HD11 ILE 31 43.410 7.195 -0.512
221 HD12 ILE 31 HD12 ILE 31 43.009 6.247 -1.942
222 HD13 ILE 31 HD13 ILE 31 44.149 7.587 -2.071
223 H TYR 32 HN TYR 32 45.746 3.530 2.272
224 HA TYR 32 HA TYR 32 47.850 5.383 2.575
225 HB2 TYR 32 HB2 TYR 32 46.407 4.820 4.454
226 HB3 TYR 32 HB1 TYR 32 46.954 3.154 4.420
227 HD1 TYR 32 HD2 TYR 32 48.260 6.642 4.684
228 HD2 TYR 32 HD1 TYR 32 48.794 2.521 5.745
229 HE1 TYR 32 HE2 TYR 32 50.177 7.261 6.128
230 HE2 TYR 32 HE1 TYR 32 50.717 3.132 7.182
231 HH TYR 32 HH TYR 32 52.385 5.788 6.987
232 H LEU 33 HN LEU 33 47.883 1.817 2.406
233 HA LEU 33 HA LEU 33 50.687 1.550 2.746
234 HB2 LEU 33 HB2 LEU 33 48.523 -0.225 1.693
235 HB3 LEU 33 HB1 LEU 33 50.191 -0.655 1.339
236 HG LEU 33 HG LEU 33 49.057 -1.632 3.484
237 HD11 LEU 33 HD11 LEU 33 51.225 -1.593 4.668
238 HD12 LEU 33 HD12 LEU 33 51.776 -0.296 3.612
239 HD13 LEU 33 HD13 LEU 33 51.432 -1.889 2.944
240 HD21 LEU 33 HD21 LEU 33 48.852 -0.324 5.371
241 HD22 LEU 33 HD22 LEU 33 48.479 0.882 4.150
242 HD23 LEU 33 HD23 LEU 33 50.094 0.815 4.852
243 H SER 34 HN SER 34 48.655 1.939 -0.126
244 HA SER 34 HA SER 34 50.660 1.593 -2.089
245 HB2 SER 34 HB2 SER 34 48.141 3.267 -2.168
246 HB3 SER 34 HB1 SER 34 49.099 2.795 -3.571
247 HG SER 34 HG SER 34 47.605 1.230 -3.425
248 H GLY 35 HN GLY 35 49.474 4.468 -0.362
249 HA2 GLY 35 HA2 GLY 35 51.029 6.349 -1.780
250 HA3 GLY 35 HA1 GLY 35 50.325 6.583 -0.187
251 H LEU 36 HN LEU 36 51.717 4.417 1.129
252 HA LEU 36 HA LEU 36 54.069 5.761 1.887
253 HB2 LEU 36 HB2 LEU 36 52.898 4.164 3.347
254 HB3 LEU 36 HB1 LEU 36 53.302 2.851 2.248
255 HG LEU 36 HG LEU 36 55.690 3.200 2.673
256 HD11 LEU 36 HD11 LEU 36 56.050 5.452 3.111
257 HD12 LEU 36 HD12 LEU 36 56.089 4.806 4.752
258 HD13 LEU 36 HD13 LEU 36 54.626 5.583 4.145
259 HD21 LEU 36 HD21 LEU 36 54.236 1.765 4.184
260 HD22 LEU 36 HD22 LEU 36 54.177 3.131 5.299
261 HD23 LEU 36 HD23 LEU 36 55.720 2.358 4.939
262 H ARG 37 HN ARG 37 53.496 3.050 -0.321
263 HA ARG 37 HA ARG 37 56.217 2.487 -0.857
264 HB2 ARG 37 HB2 ARG 37 54.352 0.973 -1.449
265 HB3 ARG 37 HB1 ARG 37 53.831 2.123 -2.682
266 HG2 ARG 37 HG2 ARG 37 56.032 1.907 -3.797
267 HG3 ARG 37 HG1 ARG 37 56.525 0.735 -2.578
268 HD2 ARG 37 HD2 ARG 37 54.553 -0.663 -3.217
269 HD3 ARG 37 HD1 ARG 37 54.242 0.465 -4.536
270 HE ARG 37 HE ARG 37 56.939 -0.546 -4.532
271 HH11 ARG 37 HH21 ARG 37 53.653 -1.126 -5.430
272 HH12 ARG 37 HH22 ARG 37 54.057 -2.166 -6.755
273 HH21 ARG 37 HH11 ARG 37 57.471 -1.921 -6.260
274 HH22 ARG 37 HH12 ARG 37 56.215 -2.609 -7.224
275 H SER 38 HN SER 38 53.871 4.664 -2.391
276 HA SER 38 HA SER 38 55.608 5.602 -4.472
277 HB2 SER 38 HB2 SER 38 53.149 6.907 -3.293
278 HB3 SER 38 HB1 SER 38 53.894 7.288 -4.847
279 HG SER 38 HG SER 38 52.388 5.073 -4.051
280 H TRP 39 HN TRP 39 54.843 6.574 -1.203
281 HA TRP 39 HA TRP 39 55.873 9.161 -1.186
282 HB2 TRP 39 HB2 TRP 39 54.532 8.173 0.635
283 HB3 TRP 39 HB1 TRP 39 55.910 7.153 1.064
284 HD1 TRP 39 HD1 TRP 39 57.533 8.136 2.759
285 HE1 TRP 39 HE1 TRP 39 58.042 10.494 3.670
286 HE3 TRP 39 HE3 TRP 39 54.483 10.935 -0.245
287 HZ2 TRP 39 HZ2 TRP 39 57.267 13.201 3.195
288 HZ3 TRP 39 HZ3 TRP 39 54.394 13.401 0.009
289 HH2 TRP 39 HH2 TRP 39 55.781 14.537 1.723
290 H LYS 40 HN LYS 40 57.531 6.033 -0.758
291 HA LYS 40 HA LYS 40 59.979 7.023 0.159
292 HB2 LYS 40 HB2 LYS 40 59.374 4.615 0.102
293 HB3 LYS 40 HB1 LYS 40 59.560 4.634 -1.650
294 HG2 LYS 40 HG2 LYS 40 61.912 5.319 -1.412
295 HG3 LYS 40 HG1 LYS 40 61.724 5.363 0.339
296 HD2 LYS 40 HD2 LYS 40 61.231 2.957 0.371
297 HD3 LYS 40 HD1 LYS 40 61.372 2.887 -1.383
298 HE2 LYS 40 HE2 LYS 40 63.457 2.130 -0.341
299 HE3 LYS 40 HE1 LYS 40 63.736 3.648 -1.193
300 HZ1 LYS 40 HZ1 LYS 40 64.179 3.085 1.492
301 HZ2 LYS 40 HZ2 LYS 40 62.890 4.187 1.432
302 HZ3 LYS 40 HZ3 LYS 40 64.375 4.569 0.697
303 H ARG 41 HN ARG 41 58.827 6.648 -3.248
304 HA ARG 41 HA ARG 41 61.302 7.376 -4.411
305 HB2 ARG 41 HB2 ARG 41 58.457 7.597 -5.415
306 HB3 ARG 41 HB1 ARG 41 59.862 7.995 -6.404
307 HG2 ARG 41 HG2 ARG 41 60.745 5.708 -6.089
308 HG3 ARG 41 HG1 ARG 41 59.363 5.315 -5.070
309 HD2 ARG 41 HD2 ARG 41 59.104 6.241 -7.936
310 HD3 ARG 41 HD1 ARG 41 59.156 4.547 -7.468
311 HE ARG 41 HE ARG 41 57.165 5.842 -5.945
312 HH11 ARG 41 HH21 ARG 41 57.952 4.856 -9.142
313 HH12 ARG 41 HH22 ARG 41 56.309 4.728 -9.675
314 HH21 ARG 41 HH11 ARG 41 54.989 5.678 -6.598
315 HH22 ARG 41 HH12 ARG 41 54.616 5.187 -8.212
316 H HIS 42 HN HIS 42 58.552 9.184 -3.346
317 HA HIS 42 HA HIS 42 59.469 11.794 -4.209
318 HB2 HIS 42 HB2 HIS 42 57.252 10.912 -2.363
319 HB3 HIS 42 HB1 HIS 42 57.578 12.600 -2.749
320 HD2 HIS 42 HD2 HIS 42 56.716 13.413 -5.295
321 HE1 HIS 42 HE1 HIS 42 55.332 9.639 -6.583
322 HE2 HIS 42 HE2 HIS 42 55.446 12.107 -7.167
323 H LEU 43 HN LEU 43 59.652 9.866 -1.327
324 HA LEU 43 HA LEU 43 60.688 11.964 0.381
325 HB2 LEU 43 HB2 LEU 43 59.254 9.944 1.126
326 HB3 LEU 43 HB1 LEU 43 60.736 9.013 0.991
327 HG LEU 43 HG LEU 43 61.829 10.665 2.574
328 HD11 LEU 43 HD11 LEU 43 59.240 11.949 2.232
329 HD12 LEU 43 HD12 LEU 43 60.716 12.586 2.937
330 HD13 LEU 43 HD13 LEU 43 59.605 11.650 3.924
331 HD21 LEU 43 HD21 LEU 43 59.781 8.663 3.178
332 HD22 LEU 43 HD22 LEU 43 59.940 9.869 4.458
333 HD23 LEU 43 HD23 LEU 43 61.346 8.928 3.948
334 H SER 44 HN SER 44 62.049 10.097 -2.066
335 HA SER 44 HA SER 44 64.423 9.144 -1.036
336 HB2 SER 44 HB2 SER 44 64.049 10.395 -3.755
337 HB3 SER 44 HB1 SER 44 65.354 9.312 -3.281
338 HG SER 44 HG SER 44 62.740 8.771 -3.914
339 H ARG 45 HN ARG 45 63.893 12.541 -2.204
340 HA ARG 45 HA ARG 45 66.596 13.271 -1.940
341 HB2 ARG 45 HB2 ARG 45 64.065 14.909 -1.679
342 HB3 ARG 45 HB1 ARG 45 65.682 15.614 -1.657
343 HG2 ARG 45 HG2 ARG 45 66.152 14.659 -3.872
344 HG3 ARG 45 HG1 ARG 45 64.555 13.910 -3.899
345 HD2 ARG 45 HD2 ARG 45 65.008 16.891 -3.631
346 HD3 ARG 45 HD1 ARG 45 64.703 16.084 -5.165
347 HE ARG 45 HE ARG 45 62.644 15.346 -3.421
348 HH11 ARG 45 HH21 ARG 45 63.965 18.171 -4.921
349 HH12 ARG 45 HH22 ARG 45 62.446 19.000 -5.021
350 HH21 ARG 45 HH11 ARG 45 60.646 16.439 -3.542
351 HH22 ARG 45 HH12 ARG 45 60.582 18.038 -4.207
352 H PHE 46 HN PHE 46 63.930 13.671 0.416
353 HA PHE 46 HA PHE 46 65.552 14.722 2.489
354 HB2 PHE 46 HB2 PHE 46 62.880 13.329 2.548
355 HB3 PHE 46 HB1 PHE 46 63.631 14.038 3.977
356 HD1 PHE 46 HD2 PHE 46 64.104 16.524 4.037
357 HD2 PHE 46 HD1 PHE 46 61.847 14.681 0.878
358 HE1 PHE 46 HE2 PHE 46 63.212 18.744 3.374
359 HE2 PHE 46 HE1 PHE 46 60.957 16.900 0.218
360 HZ PHE 46 HZ PHE 46 61.636 18.928 1.469
361 H TRP 47 HN TRP 47 64.531 11.451 1.679
362 HA TRP 47 HA TRP 47 65.504 10.134 3.971
363 HB2 TRP 47 HB2 TRP 47 63.948 9.082 2.376
364 HB3 TRP 47 HB1 TRP 47 65.229 9.050 1.164
365 HD1 TRP 47 HD1 TRP 47 64.296 7.551 4.565
366 HE1 TRP 47 HE1 TRP 47 65.669 5.397 4.925
367 HE3 TRP 47 HE3 TRP 47 67.333 7.739 0.458
368 HZ2 TRP 47 HZ2 TRP 47 67.783 3.940 3.632
369 HZ3 TRP 47 HZ3 TRP 47 69.013 5.961 0.048
370 HH2 TRP 47 HH2 TRP 47 69.240 4.065 1.627
371 H ASN 48 HN ASN 48 67.055 10.889 0.870
372 HA ASN 48 HA ASN 48 69.444 9.457 1.345
373 HB2 ASN 48 HB2 ASN 48 68.732 11.775 -0.429
374 HB3 ASN 48 HB1 ASN 48 70.395 11.203 -0.317
375 HD21 ASN 48 HD21 ASN 48 69.456 8.311 0.034
376 HD22 ASN 48 HD22 ASN 48 68.946 7.848 -1.513
377 H ASP 49 HN ASP 49 68.476 12.792 2.076
378 HA ASP 49 HA ASP 49 71.050 13.261 3.419
379 HB2 ASP 49 HB2 ASP 49 69.942 14.977 1.869
380 HB3 ASP 49 HB1 ASP 49 68.767 15.211 3.159
381 H PHE 50 HN PHE 50 71.167 12.599 5.471
382 HA PHE 50 HA PHE 50 68.748 12.428 7.105
383 HB2 PHE 50 HB2 PHE 50 70.284 10.532 7.111
384 HB3 PHE 50 HB1 PHE 50 71.601 11.576 7.638
385 HD1 PHE 50 HD1 PHE 50 68.157 10.489 8.593
386 HD2 PHE 50 HD2 PHE 50 71.974 11.912 9.944
387 HE1 PHE 50 HE1 PHE 50 67.444 10.160 10.944
388 HE2 PHE 50 HE2 PHE 50 71.262 11.585 12.300
389 HZ PHE 50 HZ PHE 50 68.995 10.708 12.800
Start of MODEL 18
1 H1 MET 1 HT1 MET 1 4.145 7.081 -30.924
2 H2 MET 1 HT2 MET 1 4.738 5.668 -31.659
3 H3 MET 1 HT3 MET 1 5.119 7.190 -32.308
4 HA MET 1 HA MET 1 6.010 6.110 -29.696
5 HB2 MET 1 HB2 MET 1 7.454 6.742 -32.288
6 HB3 MET 1 HB1 MET 1 8.268 6.379 -30.768
7 HG2 MET 1 HG2 MET 1 7.133 4.174 -30.693
8 HG3 MET 1 HG1 MET 1 6.357 4.528 -32.235
9 HE1 MET 1 HE1 MET 1 8.812 5.932 -34.065
10 HE2 MET 1 HE2 MET 1 7.346 4.981 -34.282
11 HE3 MET 1 HE3 MET 1 8.883 4.365 -34.881
12 H ALA 2 HN ALA 2 5.000 8.804 -31.440
13 HA ALA 2 HA ALA 2 6.807 10.784 -30.524
14 HB1 ALA 2 HB1 ALA 2 4.563 10.712 -32.180
15 HB2 ALA 2 HB2 ALA 2 5.529 12.133 -31.788
16 HB3 ALA 2 HB3 ALA 2 4.090 11.758 -30.841
17 H GLU 3 HN GLU 3 6.785 12.105 -28.748
18 HA GLU 3 HA GLU 3 6.516 12.541 -26.494
19 HB2 GLU 3 HB2 GLU 3 3.654 12.433 -27.475
20 HB3 GLU 3 HB1 GLU 3 4.129 13.058 -25.898
21 HG2 GLU 3 HG2 GLU 3 5.514 14.778 -26.953
22 HG3 GLU 3 HG1 GLU 3 5.162 14.115 -28.550
23 H ALA 4 HN ALA 4 6.809 9.738 -27.174
24 HA ALA 4 HA ALA 4 5.733 8.615 -24.712
25 HB1 ALA 4 HB1 ALA 4 4.632 6.738 -25.739
26 HB2 ALA 4 HB2 ALA 4 5.156 7.242 -27.345
27 HB3 ALA 4 HB3 ALA 4 3.969 8.204 -26.462
28 H HIS 5 HN HIS 5 6.757 6.679 -24.059
29 HA HIS 5 HA HIS 5 9.329 6.172 -25.439
30 HB2 HIS 5 HB2 HIS 5 8.585 5.889 -22.523
31 HB3 HIS 5 HB1 HIS 5 10.128 5.389 -23.215
32 HD2 HIS 5 HD2 HIS 5 11.831 7.557 -24.006
33 HE1 HIS 5 HE1 HIS 5 9.408 10.576 -22.324
34 HE2 HIS 5 HE2 HIS 5 11.657 10.092 -23.396
35 H GLN 6 HN GLN 6 9.837 4.115 -26.035
36 HA GLN 6 HA GLN 6 7.779 2.169 -26.217
37 HB2 GLN 6 HB2 GLN 6 10.771 1.981 -26.615
38 HB3 GLN 6 HB1 GLN 6 9.653 0.659 -26.961
39 HG2 GLN 6 HG2 GLN 6 8.434 2.064 -28.552
40 HG3 GLN 6 HG1 GLN 6 9.481 3.431 -28.174
41 HE21 GLN 6 HE21 GLN 6 10.692 3.693 -30.062
42 HE22 GLN 6 HE22 GLN 6 11.602 2.461 -30.795
43 H ALA 7 HN ALA 7 10.550 2.558 -24.045
44 HA ALA 7 HA ALA 7 9.272 0.672 -22.187
45 HB1 ALA 7 HB1 ALA 7 10.798 -0.913 -22.592
46 HB2 ALA 7 HB2 ALA 7 12.044 0.187 -21.998
47 HB3 ALA 7 HB3 ALA 7 11.652 0.141 -23.717
48 H VAL 8 HN VAL 8 9.713 1.045 -20.025
49 HA VAL 8 HA VAL 8 10.298 3.703 -19.272
50 HB VAL 8 HB VAL 8 10.179 1.137 -17.684
51 HG11 VAL 8 HG11 VAL 8 9.887 2.809 -15.744
52 HG12 VAL 8 HG12 VAL 8 10.606 4.004 -16.823
53 HG13 VAL 8 HG13 VAL 8 11.526 2.574 -16.347
54 HG21 VAL 8 HG21 VAL 8 8.152 2.252 -18.899
55 HG22 VAL 8 HG22 VAL 8 8.261 3.453 -17.613
56 HG23 VAL 8 HG23 VAL 8 7.967 1.759 -17.216
57 H GLY 9 HN GLY 9 12.219 0.725 -19.086
58 HA2 GLY 9 HA2 GLY 9 14.569 0.672 -19.484
59 HA3 GLY 9 HA1 GLY 9 14.661 2.359 -18.990
60 H PHE 10 HN PHE 10 16.410 0.479 -17.940
61 HA PHE 10 HA PHE 10 15.613 -0.702 -15.503
62 HB2 PHE 10 HB2 PHE 10 18.300 0.273 -16.487
63 HB3 PHE 10 HB1 PHE 10 18.084 -0.620 -14.981
64 HD1 PHE 10 HD1 PHE 10 17.222 -2.957 -15.014
65 HD2 PHE 10 HD2 PHE 10 18.109 -0.814 -18.637
66 HE1 PHE 10 HE1 PHE 10 17.160 -5.087 -16.288
67 HE2 PHE 10 HE2 PHE 10 18.055 -2.942 -19.909
68 HZ PHE 10 HZ PHE 10 17.572 -5.078 -18.735
69 H ARG 11 HN ARG 11 17.034 2.484 -16.211
70 HA ARG 11 HA ARG 11 17.346 4.338 -14.879
71 HB2 ARG 11 HB2 ARG 11 14.868 4.289 -15.272
72 HB3 ARG 11 HB1 ARG 11 14.691 3.472 -13.719
73 HG2 ARG 11 HG2 ARG 11 15.764 5.369 -12.581
74 HG3 ARG 11 HG1 ARG 11 15.993 6.179 -14.132
75 HD2 ARG 11 HD2 ARG 11 13.219 5.330 -13.598
76 HD3 ARG 11 HD1 ARG 11 13.834 6.561 -12.497
77 HE ARG 11 HE ARG 11 14.555 7.438 -15.010
78 HH11 ARG 11 HH21 ARG 11 11.630 6.555 -13.387
79 HH12 ARG 11 HH22 ARG 11 10.630 7.610 -14.328
80 HH21 ARG 11 HH11 ARG 11 13.237 8.817 -16.258
81 HH22 ARG 11 HH12 ARG 11 11.538 8.900 -15.935
82 HA PRO 12 HA PRO 12 18.779 1.712 -11.297
83 HB2 PRO 12 HB2 PRO 12 21.277 3.202 -11.734
84 HB3 PRO 12 HB1 PRO 12 21.014 1.454 -11.620
85 HG2 PRO 12 HG2 PRO 12 21.611 2.707 -13.935
86 HG3 PRO 12 HG1 PRO 12 20.646 1.226 -13.851
87 HD2 PRO 12 HD2 PRO 12 19.751 4.032 -14.345
88 HD3 PRO 12 HD1 PRO 12 19.069 2.507 -14.950
89 H SER 13 HN SER 13 18.975 2.393 -9.177
90 HA SER 13 HA SER 13 19.114 5.302 -8.661
91 HB2 SER 13 HB2 SER 13 17.192 3.303 -7.453
92 HB3 SER 13 HB1 SER 13 17.411 4.948 -6.864
93 HG SER 13 HG SER 13 17.040 5.400 -9.292
94 H LEU 14 HN LEU 14 19.977 5.903 -6.609
95 HA LEU 14 HA LEU 14 21.645 3.806 -5.360
96 HB2 LEU 14 HB2 LEU 14 22.003 6.811 -5.442
97 HB3 LEU 14 HB1 LEU 14 23.087 5.687 -4.625
98 HG LEU 14 HG LEU 14 22.439 5.623 -7.590
99 HD11 LEU 14 HD11 LEU 14 23.750 7.601 -7.094
100 HD12 LEU 14 HD12 LEU 14 24.804 6.404 -7.843
101 HD13 LEU 14 HD13 LEU 14 24.866 6.663 -6.100
102 HD21 LEU 14 HD21 LEU 14 23.204 3.493 -7.328
103 HD22 LEU 14 HD22 LEU 14 23.929 3.837 -5.759
104 HD23 LEU 14 HD23 LEU 14 24.786 4.264 -7.237
105 H THR 15 HN THR 15 21.321 3.314 -3.255
106 HA THR 15 HA THR 15 19.071 4.363 -1.857
107 HB THR 15 HB THR 15 19.919 2.944 0.012
108 HG1 THR 15 HG1 THR 15 21.818 1.781 -1.558
109 HG21 THR 15 HG21 THR 15 18.467 1.862 -1.482
110 HG22 THR 15 HG22 THR 15 19.886 0.811 -1.491
111 HG23 THR 15 HG23 THR 15 19.623 1.953 -2.808
112 H SER 16 HN SER 16 18.920 5.862 -0.282
113 HA SER 16 HA SER 16 20.962 7.815 -0.033
114 HB2 SER 16 HB2 SER 16 19.504 8.804 1.699
115 HB3 SER 16 HB1 SER 16 18.609 8.382 0.241
116 HG SER 16 HG SER 16 17.978 6.455 1.279
117 H ASP 17 HN ASP 17 19.993 5.079 1.992
118 HA ASP 17 HA ASP 17 22.036 5.794 3.976
119 HB2 ASP 17 HB2 ASP 17 19.731 5.073 4.669
120 HB3 ASP 17 HB1 ASP 17 20.110 3.471 4.033
121 H GLY 18 HN GLY 18 24.050 5.169 3.443
122 HA2 GLY 18 HA2 GLY 18 24.417 2.394 2.484
123 HA3 GLY 18 HA1 GLY 18 25.348 3.734 1.826
124 H ALA 19 HN ALA 19 25.975 1.216 3.438
125 HA ALA 19 HA ALA 19 27.108 2.198 5.905
126 HB1 ALA 19 HB1 ALA 19 27.291 -0.453 4.464
127 HB2 ALA 19 HB2 ALA 19 26.297 -0.068 5.869
128 HB3 ALA 19 HB3 ALA 19 28.053 -0.132 6.022
129 H GLU 20 HN GLU 20 28.065 2.252 2.668
130 HA GLU 20 HA GLU 20 30.845 1.788 2.844
131 HB2 GLU 20 HB2 GLU 20 29.207 3.466 0.938
132 HB3 GLU 20 HB1 GLU 20 30.937 3.180 0.741
133 HG2 GLU 20 HG2 GLU 20 30.562 0.762 0.632
134 HG3 GLU 20 HG1 GLU 20 28.840 0.995 0.938
135 H VAL 21 HN VAL 21 28.925 4.736 3.267
136 HA VAL 21 HA VAL 21 31.137 6.499 3.487
137 HB VAL 21 HB VAL 21 29.521 8.129 4.276
138 HG11 VAL 21 HG11 VAL 21 27.750 6.624 2.442
139 HG12 VAL 21 HG12 VAL 21 29.401 6.829 1.862
140 HG13 VAL 21 HG13 VAL 21 28.428 8.244 2.263
141 HG21 VAL 21 HG21 VAL 21 27.993 5.649 4.949
142 HG22 VAL 21 HG22 VAL 21 27.075 7.080 4.482
143 HG23 VAL 21 HG23 VAL 21 28.160 7.139 5.873
144 H GLU 22 HN GLU 22 29.240 4.711 5.891
145 HA GLU 22 HA GLU 22 30.435 5.915 8.171
146 HB2 GLU 22 HB2 GLU 22 28.942 3.320 7.827
147 HB3 GLU 22 HB1 GLU 22 29.466 3.952 9.387
148 HG2 GLU 22 HG2 GLU 22 28.171 5.990 9.033
149 HG3 GLU 22 HG1 GLU 22 27.689 5.433 7.431
150 H LEU 23 HN LEU 23 31.248 2.983 6.333
151 HA LEU 23 HA LEU 23 33.678 2.706 8.003
152 HB2 LEU 23 HB2 LEU 23 32.002 0.509 6.764
153 HB3 LEU 23 HB1 LEU 23 33.521 0.262 7.625
154 HG LEU 23 HG LEU 23 31.038 1.545 8.804
155 HD11 LEU 23 HD11 LEU 23 31.588 -1.175 8.340
156 HD12 LEU 23 HD12 LEU 23 30.328 -0.500 9.372
157 HD13 LEU 23 HD13 LEU 23 31.901 -0.910 10.054
158 HD21 LEU 23 HD21 LEU 23 32.512 0.863 10.931
159 HD22 LEU 23 HD22 LEU 23 32.711 2.419 10.128
160 HD23 LEU 23 HD23 LEU 23 33.828 1.099 9.781
161 H SER 24 HN SER 24 35.411 1.405 6.826
162 HA SER 24 HA SER 24 35.593 0.960 4.139
163 HB2 SER 24 HB2 SER 24 35.203 2.990 3.196
164 HB3 SER 24 HB1 SER 24 35.478 3.854 4.701
165 HG SER 24 HG SER 24 37.090 3.618 2.621
166 H ALA 25 HN ALA 25 36.834 0.722 6.955
167 HA ALA 25 HA ALA 25 39.460 1.514 7.032
168 HB1 ALA 25 HB1 ALA 25 39.407 -1.118 8.071
169 HB2 ALA 25 HB2 ALA 25 37.828 -0.397 8.393
170 HB3 ALA 25 HB3 ALA 25 39.294 0.402 8.957
171 HA PRO 26 HA PRO 26 40.756 -2.659 4.806
172 HB2 PRO 26 HB2 PRO 26 38.449 -2.788 2.916
173 HB3 PRO 26 HB1 PRO 26 39.345 -4.106 3.697
174 HG2 PRO 26 HG2 PRO 26 36.913 -3.424 4.529
175 HG3 PRO 26 HG1 PRO 26 38.179 -3.914 5.667
176 HD2 PRO 26 HD2 PRO 26 37.122 -1.172 5.102
177 HD3 PRO 26 HD1 PRO 26 37.707 -1.878 6.622
178 H VAL 27 HN VAL 27 38.812 -0.295 2.911
179 HA VAL 27 HA VAL 27 40.685 -0.276 0.738
180 HB VAL 27 HB VAL 27 39.444 1.713 -0.083
181 HG11 VAL 27 HG11 VAL 27 37.103 0.225 0.384
182 HG12 VAL 27 HG12 VAL 27 38.426 -0.940 0.405
183 HG13 VAL 27 HG13 VAL 27 38.191 0.101 -1.000
184 HG21 VAL 27 HG21 VAL 27 37.611 2.638 1.091
185 HG22 VAL 27 HG22 VAL 27 38.883 2.511 2.298
186 HG23 VAL 27 HG23 VAL 27 37.581 1.322 2.262
187 H LEU 28 HN LEU 28 40.236 1.638 3.642
188 HA LEU 28 HA LEU 28 42.005 3.750 3.004
189 HB2 LEU 28 HB2 LEU 28 41.128 2.591 5.649
190 HB3 LEU 28 HB1 LEU 28 42.165 4.008 5.533
191 HG LEU 28 HG LEU 28 39.465 3.777 4.165
192 HD11 LEU 28 HD11 LEU 28 38.859 5.491 6.031
193 HD12 LEU 28 HD12 LEU 28 40.235 4.793 6.888
194 HD13 LEU 28 HD13 LEU 28 38.874 3.771 6.424
195 HD21 LEU 28 HD21 LEU 28 39.984 6.443 4.518
196 HD22 LEU 28 HD22 LEU 28 40.370 5.553 3.047
197 HD23 LEU 28 HD23 LEU 28 41.614 5.819 4.262
198 H GLN 29 HN GLN 29 42.522 0.595 4.538
199 HA GLN 29 HA GLN 29 45.243 0.966 5.218
200 HB2 GLN 29 HB2 GLN 29 43.658 -1.534 4.621
201 HB3 GLN 29 HB1 GLN 29 45.324 -1.559 5.193
202 HG2 GLN 29 HG2 GLN 29 44.671 -0.334 7.212
203 HG3 GLN 29 HG1 GLN 29 43.009 -0.236 6.635
204 HE21 GLN 29 HE21 GLN 29 42.887 -1.469 8.933
205 HE22 GLN 29 HE22 GLN 29 42.922 -3.162 8.827
206 H GLU 30 HN GLU 30 43.692 -0.287 2.278
207 HA GLU 30 HA GLU 30 46.128 -1.025 0.991
208 HB2 GLU 30 HB2 GLU 30 43.919 -1.863 0.266
209 HB3 GLU 30 HB1 GLU 30 43.485 -0.234 -0.254
210 HG2 GLU 30 HG2 GLU 30 45.360 -0.228 -1.849
211 HG3 GLU 30 HG1 GLU 30 45.835 -1.838 -1.304
212 H ILE 31 HN ILE 31 44.172 1.972 1.026
213 HA ILE 31 HA ILE 31 45.732 3.342 -0.914
214 HB ILE 31 HB ILE 31 44.026 4.365 1.360
215 HG12 ILE 31 HG12 ILE 31 42.829 3.172 -0.433
216 HG13 ILE 31 HG11 ILE 31 42.424 4.879 -0.419
217 HG21 ILE 31 HG21 ILE 31 45.724 5.784 -0.647
218 HG22 ILE 31 HG22 ILE 31 45.364 6.212 1.025
219 HG23 ILE 31 HG23 ILE 31 44.161 6.493 -0.233
220 HD11 ILE 31 HD11 ILE 31 44.529 4.861 -2.190
221 HD12 ILE 31 HD12 ILE 31 42.841 4.731 -2.665
222 HD13 ILE 31 HD13 ILE 31 43.817 3.276 -2.487
223 H TYR 32 HN TYR 32 45.915 3.180 2.635
224 HA TYR 32 HA TYR 32 48.015 5.020 2.977
225 HB2 TYR 32 HB2 TYR 32 46.688 4.217 4.846
226 HB3 TYR 32 HB1 TYR 32 47.264 2.570 4.578
227 HD1 TYR 32 HD1 TYR 32 48.403 6.019 5.434
228 HD2 TYR 32 HD2 TYR 32 49.319 1.822 5.490
229 HE1 TYR 32 HE1 TYR 32 50.370 6.466 6.869
230 HE2 TYR 32 HE2 TYR 32 51.277 2.265 6.938
231 HH TYR 32 HH TYR 32 52.086 3.952 8.464
232 H LEU 33 HN LEU 33 48.067 1.493 2.529
233 HA LEU 33 HA LEU 33 50.872 1.210 2.735
234 HB2 LEU 33 HB2 LEU 33 49.310 -0.690 2.898
235 HB3 LEU 33 HB1 LEU 33 48.881 -0.488 1.202
236 HG LEU 33 HG LEU 33 51.221 -0.955 0.555
237 HD11 LEU 33 HD11 LEU 33 52.658 -0.328 2.247
238 HD12 LEU 33 HD12 LEU 33 52.529 -2.046 2.625
239 HD13 LEU 33 HD13 LEU 33 51.565 -0.873 3.520
240 HD21 LEU 33 HD21 LEU 33 49.591 -2.817 0.767
241 HD22 LEU 33 HD22 LEU 33 50.080 -3.035 2.448
242 HD23 LEU 33 HD23 LEU 33 51.231 -3.337 1.147
243 H SER 34 HN SER 34 48.738 1.738 -0.043
244 HA SER 34 HA SER 34 50.700 1.559 -2.064
245 HB2 SER 34 HB2 SER 34 48.218 3.286 -2.088
246 HB3 SER 34 HB1 SER 34 49.110 2.686 -3.482
247 HG SER 34 HG SER 34 48.388 0.683 -3.102
248 H GLY 35 HN GLY 35 49.563 4.252 -0.052
249 HA2 GLY 35 HA2 GLY 35 50.910 6.324 -1.392
250 HA3 GLY 35 HA1 GLY 35 50.380 6.353 0.284
251 H LEU 36 HN LEU 36 51.978 4.203 1.285
252 HA LEU 36 HA LEU 36 54.370 5.596 1.818
253 HB2 LEU 36 HB2 LEU 36 53.441 2.799 2.349
254 HB3 LEU 36 HB1 LEU 36 55.146 3.170 2.566
255 HG LEU 36 HG LEU 36 54.447 5.072 4.074
256 HD11 LEU 36 HD11 LEU 36 52.234 5.240 4.894
257 HD12 LEU 36 HD12 LEU 36 51.764 3.694 4.191
258 HD13 LEU 36 HD13 LEU 36 52.043 5.090 3.154
259 HD21 LEU 36 HD21 LEU 36 53.559 2.291 4.886
260 HD22 LEU 36 HD22 LEU 36 54.017 3.591 5.986
261 HD23 LEU 36 HD23 LEU 36 55.221 2.876 4.914
262 H ARG 37 HN ARG 37 53.688 2.955 -0.497
263 HA ARG 37 HA ARG 37 56.385 2.579 -1.293
264 HB2 ARG 37 HB2 ARG 37 53.785 2.094 -2.754
265 HB3 ARG 37 HB1 ARG 37 55.358 1.665 -3.421
266 HG2 ARG 37 HG2 ARG 37 55.803 0.206 -1.485
267 HG3 ARG 37 HG1 ARG 37 54.258 0.672 -0.773
268 HD2 ARG 37 HD2 ARG 37 53.068 -0.272 -2.701
269 HD3 ARG 37 HD1 ARG 37 54.602 -0.726 -3.438
270 HE ARG 37 HE ARG 37 54.574 -1.886 -0.915
271 HH11 ARG 37 HH21 ARG 37 52.689 -1.945 -3.824
272 HH12 ARG 37 HH22 ARG 37 52.190 -3.592 -3.626
273 HH21 ARG 37 HH11 ARG 37 53.937 -4.051 -0.670
274 HH22 ARG 37 HH12 ARG 37 52.905 -4.783 -1.851
275 H SER 38 HN SER 38 53.855 4.781 -2.456
276 HA SER 38 HA SER 38 55.419 5.856 -4.613
277 HB2 SER 38 HB2 SER 38 53.631 7.596 -4.668
278 HB3 SER 38 HB1 SER 38 53.002 5.955 -4.750
279 HG SER 38 HG SER 38 53.122 6.446 -2.226
280 H TRP 39 HN TRP 39 54.875 6.688 -1.240
281 HA TRP 39 HA TRP 39 55.963 9.279 -1.217
282 HB2 TRP 39 HB2 TRP 39 55.869 7.153 0.923
283 HB3 TRP 39 HB1 TRP 39 56.367 8.815 1.213
284 HD1 TRP 39 HD1 TRP 39 53.739 9.151 -1.268
285 HE1 TRP 39 HE1 TRP 39 51.458 9.630 -0.186
286 HE3 TRP 39 HE3 TRP 39 54.757 7.875 3.568
287 HZ2 TRP 39 HZ2 TRP 39 50.213 9.509 2.373
288 HZ3 TRP 39 HZ3 TRP 39 53.003 8.060 5.309
289 HH2 TRP 39 HH2 TRP 39 50.733 8.875 4.723
290 H LYS 40 HN LYS 40 57.553 6.126 -1.160
291 HA LYS 40 HA LYS 40 60.045 6.947 -0.216
292 HB2 LYS 40 HB2 LYS 40 59.397 4.571 -0.636
293 HB3 LYS 40 HB1 LYS 40 59.552 4.880 -2.366
294 HG2 LYS 40 HG2 LYS 40 61.900 5.474 -2.097
295 HG3 LYS 40 HG1 LYS 40 61.778 5.287 -0.349
296 HD2 LYS 40 HD2 LYS 40 61.226 2.909 -0.635
297 HD3 LYS 40 HD1 LYS 40 61.358 3.084 -2.388
298 HE2 LYS 40 HE2 LYS 40 63.717 3.762 -2.147
299 HE3 LYS 40 HE1 LYS 40 63.590 3.613 -0.393
300 HZ1 LYS 40 HZ1 LYS 40 62.659 1.289 -1.763
301 HZ2 LYS 40 HZ2 LYS 40 63.810 1.415 -0.517
302 HZ3 LYS 40 HZ3 LYS 40 64.274 1.630 -2.139
303 H ARG 41 HN ARG 41 58.711 7.130 -3.579
304 HA ARG 41 HA ARG 41 61.152 8.023 -4.714
305 HB2 ARG 41 HB2 ARG 41 59.195 7.236 -6.033
306 HB3 ARG 41 HB1 ARG 41 58.327 8.699 -5.577
307 HG2 ARG 41 HG2 ARG 41 60.098 10.066 -6.653
308 HG3 ARG 41 HG1 ARG 41 60.915 8.583 -7.152
309 HD2 ARG 41 HD2 ARG 41 58.824 7.908 -8.357
310 HD3 ARG 41 HD1 ARG 41 58.143 9.486 -7.970
311 HE ARG 41 HE ARG 41 60.261 8.925 -9.899
312 HH11 ARG 41 HH21 ARG 41 58.461 11.260 -8.069
313 HH12 ARG 41 HH22 ARG 41 58.911 12.593 -9.078
314 HH21 ARG 41 HH11 ARG 41 60.850 10.674 -11.222
315 HH22 ARG 41 HH12 ARG 41 60.261 12.262 -10.860
316 H HIS 42 HN HIS 42 58.394 9.721 -3.436
317 HA HIS 42 HA HIS 42 59.313 12.389 -3.790
318 HB2 HIS 42 HB2 HIS 42 57.226 11.183 -1.974
319 HB3 HIS 42 HB1 HIS 42 57.532 12.920 -2.053
320 HD2 HIS 42 HD2 HIS 42 56.415 14.194 -4.279
321 HE1 HIS 42 HE1 HIS 42 55.059 10.725 -6.269
322 HE2 HIS 42 HE2 HIS 42 55.050 13.257 -6.305
323 H LEU 43 HN LEU 43 59.648 10.071 -1.214
324 HA LEU 43 HA LEU 43 60.844 11.927 0.646
325 HB2 LEU 43 HB2 LEU 43 60.419 8.953 0.740
326 HB3 LEU 43 HB1 LEU 43 61.226 9.843 2.018
327 HG LEU 43 HG LEU 43 58.430 10.467 1.013
328 HD11 LEU 43 HD11 LEU 43 58.459 8.252 2.048
329 HD12 LEU 43 HD12 LEU 43 57.699 9.401 3.149
330 HD13 LEU 43 HD13 LEU 43 59.361 8.885 3.427
331 HD21 LEU 43 HD21 LEU 43 58.550 11.465 3.506
332 HD22 LEU 43 HD22 LEU 43 59.033 12.406 2.095
333 HD23 LEU 43 HD23 LEU 43 60.253 11.604 3.084
334 H SER 44 HN SER 44 62.015 10.308 -2.047
335 HA SER 44 HA SER 44 64.424 9.225 -1.194
336 HB2 SER 44 HB2 SER 44 63.814 8.761 -3.409
337 HB3 SER 44 HB1 SER 44 63.601 10.464 -3.808
338 HG SER 44 HG SER 44 65.986 9.013 -3.354
339 H ARG 45 HN ARG 45 63.833 12.630 -2.204
340 HA ARG 45 HA ARG 45 66.511 13.448 -2.050
341 HB2 ARG 45 HB2 ARG 45 63.925 14.934 -1.574
342 HB3 ARG 45 HB1 ARG 45 65.499 15.728 -1.605
343 HG2 ARG 45 HG2 ARG 45 65.897 14.885 -3.882
344 HG3 ARG 45 HG1 ARG 45 64.338 14.061 -3.852
345 HD2 ARG 45 HD2 ARG 45 63.181 16.211 -3.591
346 HD3 ARG 45 HD1 ARG 45 64.724 17.058 -3.576
347 HE ARG 45 HE ARG 45 64.343 15.447 -5.943
348 HH11 ARG 45 HH21 ARG 45 63.661 18.471 -4.398
349 HH12 ARG 45 HH22 ARG 45 63.482 19.345 -5.882
350 HH21 ARG 45 HH11 ARG 45 64.120 16.615 -7.898
351 HH22 ARG 45 HH12 ARG 45 63.734 18.303 -7.851
352 H PHE 46 HN PHE 46 63.981 13.598 0.445
353 HA PHE 46 HA PHE 46 65.641 14.630 2.490
354 HB2 PHE 46 HB2 PHE 46 63.045 13.090 2.549
355 HB3 PHE 46 HB1 PHE 46 63.804 13.769 3.992
356 HD1 PHE 46 HD2 PHE 46 64.065 16.215 4.242
357 HD2 PHE 46 HD1 PHE 46 62.016 14.516 0.875
358 HE1 PHE 46 HE2 PHE 46 63.085 18.431 3.716
359 HE2 PHE 46 HE1 PHE 46 61.038 16.735 0.347
360 HZ PHE 46 HZ PHE 46 61.569 18.693 1.773
361 H TRP 47 HN TRP 47 64.721 11.340 1.571
362 HA TRP 47 HA TRP 47 65.850 10.013 3.778
363 HB2 TRP 47 HB2 TRP 47 64.337 8.794 2.429
364 HB3 TRP 47 HB1 TRP 47 65.271 9.105 0.967
365 HD1 TRP 47 HD1 TRP 47 66.969 7.350 0.312
366 HE1 TRP 47 HE1 TRP 47 68.062 5.319 1.464
367 HE3 TRP 47 HE3 TRP 47 65.126 7.904 5.044
368 HZ2 TRP 47 HZ2 TRP 47 68.140 4.082 4.031
369 HZ3 TRP 47 HZ3 TRP 47 65.728 6.283 6.820
370 HH2 TRP 47 HH2 TRP 47 67.236 4.375 6.318
371 H ASN 48 HN ASN 48 67.229 10.937 0.653
372 HA ASN 48 HA ASN 48 69.694 9.589 0.944
373 HB2 ASN 48 HB2 ASN 48 68.927 10.456 -1.220
374 HB3 ASN 48 HB1 ASN 48 69.063 12.107 -0.617
375 HD21 ASN 48 HD21 ASN 48 70.753 12.688 -2.145
376 HD22 ASN 48 HD22 ASN 48 72.320 12.046 -2.024
377 H ASP 49 HN ASP 49 68.659 12.850 1.854
378 HA ASP 49 HA ASP 49 71.243 13.720 2.710
379 HB2 ASP 49 HB2 ASP 49 68.456 14.760 3.223
380 HB3 ASP 49 HB1 ASP 49 69.907 15.547 3.840
381 H PHE 50 HN PHE 50 72.131 13.793 4.726
382 HA PHE 50 HA PHE 50 70.941 11.979 6.706
383 HB2 PHE 50 HB2 PHE 50 73.267 11.542 6.091
384 HB3 PHE 50 HB1 PHE 50 73.715 13.189 6.539
385 HD1 PHE 50 HD1 PHE 50 72.117 10.102 7.906
386 HD2 PHE 50 HD2 PHE 50 74.346 13.679 8.767
387 HE1 PHE 50 HE1 PHE 50 72.374 9.377 10.263
388 HE2 PHE 50 HE2 PHE 50 74.599 12.954 11.127
389 HZ PHE 50 HZ PHE 50 73.617 10.803 11.873
Start of MODEL 19
1 H1 MET 1 HT1 MET 1 -2.509 26.371 -0.345
2 H2 MET 1 HT2 MET 1 -3.261 24.991 -0.993
3 H3 MET 1 HT3 MET 1 -3.283 26.455 -1.854
4 HA MET 1 HA MET 1 -1.257 24.422 -1.739
5 HB2 MET 1 HB2 MET 1 -1.896 26.768 -3.547
6 HB3 MET 1 HB1 MET 1 -0.607 25.607 -3.869
7 HG2 MET 1 HG2 MET 1 -2.267 23.771 -3.856
8 HG3 MET 1 HG1 MET 1 -3.551 24.943 -3.553
9 HE1 MET 1 HE1 MET 1 -5.014 24.469 -5.573
10 HE2 MET 1 HE2 MET 1 -3.968 23.064 -5.759
11 HE3 MET 1 HE3 MET 1 -4.368 24.047 -7.166
12 H ALA 2 HN ALA 2 -1.592 27.596 -0.518
13 HA ALA 2 HA ALA 2 1.058 28.553 -0.771
14 HB1 ALA 2 HB1 ALA 2 0.297 30.335 0.399
15 HB2 ALA 2 HB2 ALA 2 -0.377 29.327 1.680
16 HB3 ALA 2 HB3 ALA 2 -1.286 29.586 0.191
17 H GLU 3 HN GLU 3 -0.534 26.531 1.641
18 HA GLU 3 HA GLU 3 2.079 26.135 2.976
19 HB2 GLU 3 HB2 GLU 3 0.326 27.167 4.403
20 HB3 GLU 3 HB1 GLU 3 -0.704 25.768 4.117
21 HG2 GLU 3 HG2 GLU 3 0.394 25.430 6.235
22 HG3 GLU 3 HG1 GLU 3 1.142 24.324 5.089
23 H ALA 4 HN ALA 4 2.967 24.184 2.770
24 HA ALA 4 HA ALA 4 1.291 21.808 2.555
25 HB1 ALA 4 HB1 ALA 4 3.403 22.195 0.453
26 HB2 ALA 4 HB2 ALA 4 1.770 22.814 0.204
27 HB3 ALA 4 HB3 ALA 4 2.029 21.089 0.457
28 H HIS 5 HN HIS 5 2.412 19.866 2.990
29 HA HIS 5 HA HIS 5 4.537 20.111 4.850
30 HB2 HIS 5 HB2 HIS 5 2.927 18.253 4.913
31 HB3 HIS 5 HB1 HIS 5 3.551 17.658 3.375
32 HD2 HIS 5 HD2 HIS 5 5.764 16.001 3.629
33 HE1 HIS 5 HE1 HIS 5 6.656 16.856 7.666
34 HE2 HIS 5 HE2 HIS 5 7.278 15.408 5.674
35 H GLN 6 HN GLN 6 4.422 19.099 1.456
36 HA GLN 6 HA GLN 6 6.068 18.824 -0.119
37 HB2 GLN 6 HB2 GLN 6 6.440 21.220 0.418
38 HB3 GLN 6 HB1 GLN 6 7.589 20.744 1.666
39 HG2 GLN 6 HG2 GLN 6 8.811 21.321 -0.360
40 HG3 GLN 6 HG1 GLN 6 8.954 19.589 -0.086
41 HE21 GLN 6 HE21 GLN 6 9.118 18.879 -2.269
42 HE22 GLN 6 HE22 GLN 6 7.903 19.138 -3.426
43 H ALA 7 HN ALA 7 7.048 16.925 -0.276
44 HA ALA 7 HA ALA 7 9.346 16.317 1.405
45 HB1 ALA 7 HB1 ALA 7 8.236 13.928 1.694
46 HB2 ALA 7 HB2 ALA 7 6.743 14.858 1.576
47 HB3 ALA 7 HB3 ALA 7 7.910 15.224 2.847
48 H VAL 8 HN VAL 8 10.658 14.627 0.543
49 HA VAL 8 HA VAL 8 9.933 13.730 -2.177
50 HB VAL 8 HB VAL 8 12.277 14.131 -2.874
51 HG11 VAL 8 HG11 VAL 8 10.627 15.824 -3.416
52 HG12 VAL 8 HG12 VAL 8 12.107 16.640 -2.910
53 HG13 VAL 8 HG13 VAL 8 10.744 16.513 -1.796
54 HG21 VAL 8 HG21 VAL 8 13.666 15.612 -1.410
55 HG22 VAL 8 HG22 VAL 8 13.361 14.031 -0.691
56 HG23 VAL 8 HG23 VAL 8 12.453 15.439 -0.142
57 H GLY 9 HN GLY 9 11.156 11.844 -2.902
58 HA2 GLY 9 HA2 GLY 9 11.596 9.989 -0.684
59 HA3 GLY 9 HA1 GLY 9 11.430 9.560 -2.383
60 H PHE 10 HN PHE 10 13.437 11.916 -2.834
61 HA PHE 10 HA PHE 10 15.732 10.312 -3.168
62 HB2 PHE 10 HB2 PHE 10 15.381 13.313 -3.105
63 HB3 PHE 10 HB1 PHE 10 16.907 12.521 -3.500
64 HD1 PHE 10 HD1 PHE 10 17.076 11.039 -5.488
65 HD2 PHE 10 HD2 PHE 10 13.542 13.333 -4.662
66 HE1 PHE 10 HE1 PHE 10 16.302 10.687 -7.819
67 HE2 PHE 10 HE2 PHE 10 12.767 12.982 -6.992
68 HZ PHE 10 HZ PHE 10 14.148 11.659 -8.570
69 H ARG 11 HN ARG 11 14.856 12.650 -0.639
70 HA ARG 11 HA ARG 11 15.808 13.096 1.416
71 HB2 ARG 11 HB2 ARG 11 14.967 10.682 1.608
72 HB3 ARG 11 HB1 ARG 11 16.651 10.202 1.394
73 HG2 ARG 11 HG2 ARG 11 17.136 11.918 3.296
74 HG3 ARG 11 HG1 ARG 11 15.412 11.773 3.642
75 HD2 ARG 11 HD2 ARG 11 15.695 9.294 3.782
76 HD3 ARG 11 HD1 ARG 11 17.429 9.511 3.569
77 HE ARG 11 HE ARG 11 15.941 9.947 5.986
78 HH11 ARG 11 HH21 ARG 11 18.655 10.957 4.096
79 HH12 ARG 11 HH22 ARG 11 19.558 11.545 5.450
80 HH21 ARG 11 HH11 ARG 11 17.124 10.714 7.775
81 HH22 ARG 11 HH12 ARG 11 18.691 11.411 7.533
82 HA PRO 12 HA PRO 12 20.048 13.432 -0.487
83 HB2 PRO 12 HB2 PRO 12 19.852 16.131 0.708
84 HB3 PRO 12 HB1 PRO 12 20.281 15.659 -0.947
85 HG2 PRO 12 HG2 PRO 12 17.935 16.811 -0.347
86 HG3 PRO 12 HG1 PRO 12 18.104 15.615 -1.642
87 HD2 PRO 12 HD2 PRO 12 16.946 15.271 1.100
88 HD3 PRO 12 HD1 PRO 12 16.452 14.521 -0.437
89 H SER 13 HN SER 13 22.010 13.286 0.587
90 HA SER 13 HA SER 13 22.014 13.719 3.503
91 HB2 SER 13 HB2 SER 13 21.601 11.317 3.090
92 HB3 SER 13 HB1 SER 13 23.064 11.240 2.114
93 HG SER 13 HG SER 13 24.277 11.558 3.892
94 H LEU 14 HN LEU 14 23.979 14.316 4.371
95 HA LEU 14 HA LEU 14 25.776 15.706 2.703
96 HB2 LEU 14 HB2 LEU 14 25.438 16.286 5.066
97 HB3 LEU 14 HB1 LEU 14 26.128 14.741 5.557
98 HG LEU 14 HG LEU 14 28.286 15.363 4.561
99 HD11 LEU 14 HD11 LEU 14 27.881 16.745 2.735
100 HD12 LEU 14 HD12 LEU 14 28.392 17.927 3.937
101 HD13 LEU 14 HD13 LEU 14 26.677 17.702 3.598
102 HD21 LEU 14 HD21 LEU 14 27.216 17.620 6.282
103 HD22 LEU 14 HD22 LEU 14 28.897 17.111 6.134
104 HD23 LEU 14 HD23 LEU 14 27.721 16.050 6.908
105 H THR 15 HN THR 15 25.976 12.521 4.258
106 HA THR 15 HA THR 15 28.632 12.001 3.266
107 HB THR 15 HB THR 15 28.116 9.653 4.096
108 HG1 THR 15 HG1 THR 15 26.017 10.544 5.564
109 HG21 THR 15 HG21 THR 15 29.243 10.689 5.768
110 HG22 THR 15 HG22 THR 15 27.663 10.798 6.545
111 HG23 THR 15 HG23 THR 15 28.288 12.164 5.621
112 H SER 16 HN SER 16 29.086 10.030 1.942
113 HA SER 16 HA SER 16 27.754 10.220 -0.553
114 HB2 SER 16 HB2 SER 16 30.100 9.589 -0.434
115 HB3 SER 16 HB1 SER 16 29.693 8.144 0.489
116 HG SER 16 HG SER 16 29.798 8.408 -2.118
117 H ASP 17 HN ASP 17 26.357 8.806 -1.600
118 HA ASP 17 HA ASP 17 24.602 7.293 0.134
119 HB2 ASP 17 HB2 ASP 17 23.708 8.598 -1.763
120 HB3 ASP 17 HB1 ASP 17 24.598 7.568 -2.882
121 H GLY 18 HN GLY 18 25.067 5.294 0.766
122 HA2 GLY 18 HA2 GLY 18 25.436 2.997 0.455
123 HA3 GLY 18 HA1 GLY 18 25.995 3.329 -1.182
124 H ALA 19 HN ALA 19 27.400 5.491 0.960
125 HA ALA 19 HA ALA 19 29.635 3.769 1.725
126 HB1 ALA 19 HB1 ALA 19 30.886 4.368 -0.047
127 HB2 ALA 19 HB2 ALA 19 30.939 5.987 0.644
128 HB3 ALA 19 HB3 ALA 19 29.717 5.581 -0.563
129 H GLU 20 HN GLU 20 30.898 4.642 3.400
130 HA GLU 20 HA GLU 20 30.083 7.270 4.452
131 HB2 GLU 20 HB2 GLU 20 30.169 4.705 6.032
132 HB3 GLU 20 HB1 GLU 20 30.041 6.300 6.764
133 HG2 GLU 20 HG2 GLU 20 27.794 5.650 6.618
134 HG3 GLU 20 HG1 GLU 20 28.008 6.590 5.148
135 H VAL 21 HN VAL 21 31.660 8.382 5.596
136 HA VAL 21 HA VAL 21 34.363 7.811 4.920
137 HB VAL 21 HB VAL 21 34.905 9.717 6.400
138 HG11 VAL 21 HG11 VAL 21 34.023 10.054 4.077
139 HG12 VAL 21 HG12 VAL 21 33.638 11.396 5.153
140 HG13 VAL 21 HG13 VAL 21 32.401 10.206 4.750
141 HG21 VAL 21 HG21 VAL 21 33.328 9.291 8.218
142 HG22 VAL 21 HG22 VAL 21 31.960 9.533 7.130
143 HG23 VAL 21 HG23 VAL 21 33.010 10.888 7.544
144 H GLU 22 HN GLU 22 32.444 7.301 7.827
145 HA GLU 22 HA GLU 22 34.514 6.513 9.559
146 HB2 GLU 22 HB2 GLU 22 31.587 5.734 9.554
147 HB3 GLU 22 HB1 GLU 22 32.706 5.390 10.868
148 HG2 GLU 22 HG2 GLU 22 31.757 7.375 11.590
149 HG3 GLU 22 HG1 GLU 22 33.203 7.953 10.778
150 H LEU 23 HN LEU 23 32.575 4.687 7.225
151 HA LEU 23 HA LEU 23 34.092 2.251 7.930
152 HB2 LEU 23 HB2 LEU 23 31.564 2.569 6.297
153 HB3 LEU 23 HB1 LEU 23 32.332 1.041 6.708
154 HG LEU 23 HG LEU 23 31.236 3.048 8.707
155 HD11 LEU 23 HD11 LEU 23 29.340 2.054 7.756
156 HD12 LEU 23 HD12 LEU 23 29.676 0.984 9.117
157 HD13 LEU 23 HD13 LEU 23 30.161 0.518 7.487
158 HD21 LEU 23 HD21 LEU 23 31.542 0.826 10.144
159 HD22 LEU 23 HD22 LEU 23 32.885 1.945 9.918
160 HD23 LEU 23 HD23 LEU 23 32.779 0.487 8.933
161 H SER 24 HN SER 24 35.628 1.547 6.608
162 HA SER 24 HA SER 24 35.769 1.173 3.968
163 HB2 SER 24 HB2 SER 24 35.323 3.288 3.144
164 HB3 SER 24 HB1 SER 24 36.039 4.099 4.534
165 HG SER 24 HG SER 24 37.237 4.138 2.465
166 H ALA 25 HN ALA 25 36.972 0.936 6.775
167 HA ALA 25 HA ALA 25 39.613 1.621 6.906
168 HB1 ALA 25 HB1 ALA 25 39.394 0.497 8.818
169 HB2 ALA 25 HB2 ALA 25 39.464 -1.022 7.920
170 HB3 ALA 25 HB3 ALA 25 37.908 -0.252 8.233
171 HA PRO 26 HA PRO 26 40.864 -2.553 4.642
172 HB2 PRO 26 HB2 PRO 26 38.579 -2.633 2.721
173 HB3 PRO 26 HB1 PRO 26 39.441 -3.970 3.502
174 HG2 PRO 26 HG2 PRO 26 37.000 -3.240 4.278
175 HG3 PRO 26 HG1 PRO 26 38.216 -3.810 5.433
176 HD2 PRO 26 HD2 PRO 26 37.234 -1.029 4.950
177 HD3 PRO 26 HD1 PRO 26 37.806 -1.783 6.456
178 H VAL 27 HN VAL 27 38.926 -0.144 2.869
179 HA VAL 27 HA VAL 27 40.641 0.013 0.602
180 HB VAL 27 HB VAL 27 38.579 1.926 1.716
181 HG11 VAL 27 HG11 VAL 27 39.813 3.363 0.394
182 HG12 VAL 27 HG12 VAL 27 38.754 2.661 -0.829
183 HG13 VAL 27 HG13 VAL 27 40.404 2.065 -0.642
184 HG21 VAL 27 HG21 VAL 27 38.108 -0.493 0.662
185 HG22 VAL 27 HG22 VAL 27 38.284 0.412 -0.840
186 HG23 VAL 27 HG23 VAL 27 37.052 0.882 0.333
187 H LEU 28 HN LEU 28 40.317 1.858 3.585
188 HA LEU 28 HA LEU 28 42.204 3.860 3.003
189 HB2 LEU 28 HB2 LEU 28 41.254 2.689 5.614
190 HB3 LEU 28 HB1 LEU 28 42.331 4.081 5.525
191 HG LEU 28 HG LEU 28 39.630 3.935 4.149
192 HD11 LEU 28 HD11 LEU 28 38.907 4.050 6.327
193 HD12 LEU 28 HD12 LEU 28 39.259 5.763 6.089
194 HD13 LEU 28 HD13 LEU 28 40.430 4.726 6.904
195 HD21 LEU 28 HD21 LEU 28 40.486 5.731 3.063
196 HD22 LEU 28 HD22 LEU 28 41.854 5.862 4.165
197 HD23 LEU 28 HD23 LEU 28 40.306 6.591 4.589
198 H GLN 29 HN GLN 29 42.592 0.678 4.552
199 HA GLN 29 HA GLN 29 45.324 0.995 5.253
200 HB2 GLN 29 HB2 GLN 29 43.681 -1.487 4.695
201 HB3 GLN 29 HB1 GLN 29 45.321 -1.517 5.343
202 HG2 GLN 29 HG2 GLN 29 42.969 -0.105 6.645
203 HG3 GLN 29 HG1 GLN 29 43.594 -1.675 7.134
204 HE21 GLN 29 HE21 GLN 29 43.647 1.410 8.167
205 HE22 GLN 29 HE22 GLN 29 45.213 1.492 8.816
206 H GLU 30 HN GLU 30 43.758 -0.350 2.344
207 HA GLU 30 HA GLU 30 46.172 -1.171 1.071
208 HB2 GLU 30 HB2 GLU 30 43.483 -0.369 -0.080
209 HB3 GLU 30 HB1 GLU 30 44.798 -1.048 -1.044
210 HG2 GLU 30 HG2 GLU 30 44.798 -3.073 0.332
211 HG3 GLU 30 HG1 GLU 30 43.545 -2.389 1.370
212 H ILE 31 HN ILE 31 44.325 1.910 1.085
213 HA ILE 31 HA ILE 31 45.968 3.173 -0.891
214 HB ILE 31 HB ILE 31 44.272 4.314 1.342
215 HG12 ILE 31 HG12 ILE 31 43.830 4.323 -1.660
216 HG13 ILE 31 HG11 ILE 31 43.201 3.056 -0.604
217 HG21 ILE 31 HG21 ILE 31 44.534 6.372 -0.369
218 HG22 ILE 31 HG22 ILE 31 46.087 5.592 -0.658
219 HG23 ILE 31 HG23 ILE 31 45.660 6.123 0.965
220 HD11 ILE 31 HD11 ILE 31 42.002 4.754 0.726
221 HD12 ILE 31 HD12 ILE 31 41.513 4.800 -0.965
222 HD13 ILE 31 HD13 ILE 31 42.620 6.024 -0.337
223 H TYR 32 HN TYR 32 46.137 3.131 2.691
224 HA TYR 32 HA TYR 32 48.313 4.883 2.939
225 HB2 TYR 32 HB2 TYR 32 46.996 4.206 4.874
226 HB3 TYR 32 HB1 TYR 32 47.539 2.537 4.683
227 HD1 TYR 32 HD2 TYR 32 48.743 6.009 5.306
228 HD2 TYR 32 HD1 TYR 32 49.587 1.818 5.598
229 HE1 TYR 32 HE2 TYR 32 50.769 6.513 6.641
230 HE2 TYR 32 HE1 TYR 32 51.617 2.309 6.927
231 HH TYR 32 HH TYR 32 52.202 4.823 8.523
232 H LEU 33 HN LEU 33 48.289 1.312 2.569
233 HA LEU 33 HA LEU 33 51.096 0.984 2.692
234 HB2 LEU 33 HB2 LEU 33 48.857 -0.667 1.589
235 HB3 LEU 33 HB1 LEU 33 50.512 -1.093 1.173
236 HG LEU 33 HG LEU 33 51.002 -1.072 3.694
237 HD11 LEU 33 HD11 LEU 33 49.190 -1.173 5.239
238 HD12 LEU 33 HD12 LEU 33 48.006 -1.391 3.941
239 HD13 LEU 33 HD13 LEU 33 48.793 0.173 4.168
240 HD21 LEU 33 HD21 LEU 33 50.880 -3.146 2.550
241 HD22 LEU 33 HD22 LEU 33 49.127 -3.041 2.395
242 HD23 LEU 33 HD23 LEU 33 49.859 -3.324 3.975
243 H SER 34 HN SER 34 48.881 1.628 -0.004
244 HA SER 34 HA SER 34 50.860 1.398 -2.057
245 HB2 SER 34 HB2 SER 34 48.213 2.848 -2.032
246 HB3 SER 34 HB1 SER 34 49.240 2.679 -3.445
247 HG SER 34 HG SER 34 48.882 0.541 -3.480
248 H GLY 35 HN GLY 35 49.678 4.075 -0.071
249 HA2 GLY 35 HA2 GLY 35 51.019 6.171 -1.452
250 HA3 GLY 35 HA1 GLY 35 50.474 6.222 0.228
251 H LEU 36 HN LEU 36 52.047 4.014 1.201
252 HA LEU 36 HA LEU 36 54.431 5.357 1.835
253 HB2 LEU 36 HB2 LEU 36 53.485 3.597 3.265
254 HB3 LEU 36 HB1 LEU 36 53.772 2.403 2.004
255 HG LEU 36 HG LEU 36 56.195 2.766 2.170
256 HD11 LEU 36 HD11 LEU 36 56.572 4.981 2.768
257 HD12 LEU 36 HD12 LEU 36 56.854 4.169 4.308
258 HD13 LEU 36 HD13 LEU 36 55.313 4.966 4.002
259 HD21 LEU 36 HD21 LEU 36 54.759 2.277 4.793
260 HD22 LEU 36 HD22 LEU 36 56.490 2.007 4.580
261 HD23 LEU 36 HD23 LEU 36 55.327 1.069 3.642
262 H ARG 37 HN ARG 37 53.732 2.804 -0.560
263 HA ARG 37 HA ARG 37 56.414 2.459 -1.412
264 HB2 ARG 37 HB2 ARG 37 53.793 2.025 -2.861
265 HB3 ARG 37 HB1 ARG 37 55.354 1.509 -3.487
266 HG2 ARG 37 HG2 ARG 37 54.264 0.614 -0.803
267 HG3 ARG 37 HG1 ARG 37 54.022 -0.293 -2.291
268 HD2 ARG 37 HD2 ARG 37 56.498 -0.445 -2.558
269 HD3 ARG 37 HD1 ARG 37 56.698 0.356 -1.010
270 HE ARG 37 HE ARG 37 55.682 -2.356 -1.427
271 HH11 ARG 37 HH21 ARG 37 56.366 0.287 0.721
272 HH12 ARG 37 HH22 ARG 37 56.387 -0.704 2.139
273 HH21 ARG 37 HH11 ARG 37 55.693 -3.636 0.432
274 HH22 ARG 37 HH12 ARG 37 56.010 -2.919 1.976
275 H SER 38 HN SER 38 53.818 4.603 -2.475
276 HA SER 38 HA SER 38 55.271 5.765 -4.653
277 HB2 SER 38 HB2 SER 38 52.812 5.755 -4.586
278 HB3 SER 38 HB1 SER 38 52.844 6.772 -3.148
279 HG SER 38 HG SER 38 54.338 8.048 -4.780
280 H TRP 39 HN TRP 39 54.741 6.589 -1.268
281 HA TRP 39 HA TRP 39 55.706 9.211 -1.254
282 HB2 TRP 39 HB2 TRP 39 55.616 7.064 0.850
283 HB3 TRP 39 HB1 TRP 39 56.228 8.671 1.194
284 HD1 TRP 39 HD1 TRP 39 53.473 8.807 -1.305
285 HE1 TRP 39 HE1 TRP 39 51.298 9.595 -0.185
286 HE3 TRP 39 HE3 TRP 39 54.811 8.412 3.613
287 HZ2 TRP 39 HZ2 TRP 39 50.253 10.011 2.449
288 HZ3 TRP 39 HZ3 TRP 39 53.210 9.017 5.402
289 HH2 TRP 39 HH2 TRP 39 50.932 9.813 4.828
290 H LYS 40 HN LYS 40 57.512 6.151 -1.060
291 HA LYS 40 HA LYS 40 59.948 7.175 -0.174
292 HB2 LYS 40 HB2 LYS 40 59.476 4.755 -0.547
293 HB3 LYS 40 HB1 LYS 40 59.576 5.032 -2.286
294 HG2 LYS 40 HG2 LYS 40 61.887 5.816 -2.054
295 HG3 LYS 40 HG1 LYS 40 61.799 5.613 -0.305
296 HD2 LYS 40 HD2 LYS 40 61.401 3.190 -0.612
297 HD3 LYS 40 HD1 LYS 40 61.517 3.401 -2.361
298 HE2 LYS 40 HE2 LYS 40 63.826 4.233 -2.117
299 HE3 LYS 40 HE1 LYS 40 63.718 4.033 -0.368
300 HZ1 LYS 40 HZ1 LYS 40 64.188 1.892 -0.569
301 HZ2 LYS 40 HZ2 LYS 40 64.473 2.135 -2.226
302 HZ3 LYS 40 HZ3 LYS 40 62.934 1.655 -1.687
303 H ARG 41 HN ARG 41 58.588 7.169 -3.512
304 HA ARG 41 HA ARG 41 60.899 8.162 -4.758
305 HB2 ARG 41 HB2 ARG 41 58.932 7.272 -5.969
306 HB3 ARG 41 HB1 ARG 41 58.013 8.702 -5.500
307 HG2 ARG 41 HG2 ARG 41 59.607 10.143 -6.690
308 HG3 ARG 41 HG1 ARG 41 60.576 8.734 -7.125
309 HD2 ARG 41 HD2 ARG 41 59.145 9.315 -9.005
310 HD3 ARG 41 HD1 ARG 41 58.587 7.795 -8.309
311 HE ARG 41 HE ARG 41 57.208 9.964 -7.105
312 HH11 ARG 41 HH21 ARG 41 57.503 8.188 -10.057
313 HH12 ARG 41 HH22 ARG 41 55.872 8.481 -10.560
314 HH21 ARG 41 HH11 ARG 41 55.071 10.363 -7.759
315 HH22 ARG 41 HH12 ARG 41 54.494 9.712 -9.257
316 H HIS 42 HN HIS 42 58.185 9.777 -3.316
317 HA HIS 42 HA HIS 42 59.042 12.481 -3.823
318 HB2 HIS 42 HB2 HIS 42 56.969 11.355 -1.926
319 HB3 HIS 42 HB1 HIS 42 57.232 13.078 -2.199
320 HD2 HIS 42 HD2 HIS 42 55.295 10.180 -3.799
321 HE1 HIS 42 HE1 HIS 42 55.384 13.266 -6.681
322 HE2 HIS 42 HE2 HIS 42 54.329 11.038 -6.067
323 H LEU 43 HN LEU 43 59.337 10.219 -1.195
324 HA LEU 43 HA LEU 43 60.585 12.099 0.621
325 HB2 LEU 43 HB2 LEU 43 59.659 9.278 0.846
326 HB3 LEU 43 HB1 LEU 43 60.895 9.852 1.960
327 HG LEU 43 HG LEU 43 59.465 11.718 2.642
328 HD11 LEU 43 HD11 LEU 43 57.117 11.845 1.856
329 HD12 LEU 43 HD12 LEU 43 57.446 10.564 0.701
330 HD13 LEU 43 HD13 LEU 43 58.258 12.116 0.542
331 HD21 LEU 43 HD21 LEU 43 58.157 8.990 2.688
332 HD22 LEU 43 HD22 LEU 43 57.578 10.354 3.643
333 HD23 LEU 43 HD23 LEU 43 59.193 9.705 3.923
334 H SER 44 HN SER 44 61.703 10.379 -1.980
335 HA SER 44 HA SER 44 64.049 9.178 -1.099
336 HB2 SER 44 HB2 SER 44 63.421 8.794 -3.342
337 HB3 SER 44 HB1 SER 44 63.335 10.518 -3.702
338 HG SER 44 HG SER 44 65.304 10.150 -4.400
339 H ARG 45 HN ARG 45 63.621 12.636 -2.078
340 HA ARG 45 HA ARG 45 66.351 13.285 -1.841
341 HB2 ARG 45 HB2 ARG 45 64.643 14.769 -2.866
342 HB3 ARG 45 HB1 ARG 45 63.978 15.077 -1.262
343 HG2 ARG 45 HG2 ARG 45 66.160 16.000 -0.540
344 HG3 ARG 45 HG1 ARG 45 66.807 15.704 -2.155
345 HD2 ARG 45 HD2 ARG 45 64.995 17.173 -3.077
346 HD3 ARG 45 HD1 ARG 45 64.526 17.558 -1.425
347 HE ARG 45 HE ARG 45 67.321 18.040 -1.942
348 HH11 ARG 45 HH21 ARG 45 64.093 19.264 -2.197
349 HH12 ARG 45 HH22 ARG 45 64.578 20.927 -2.208
350 HH21 ARG 45 HH11 ARG 45 67.963 20.214 -1.951
351 HH22 ARG 45 HH12 ARG 45 66.771 21.465 -2.067
352 H PHE 46 HN PHE 46 63.731 13.531 0.558
353 HA PHE 46 HA PHE 46 65.297 14.488 2.696
354 HB2 PHE 46 HB2 PHE 46 62.844 14.585 2.692
355 HB3 PHE 46 HB1 PHE 46 62.771 12.823 2.769
356 HD1 PHE 46 HD2 PHE 46 64.153 15.797 4.568
357 HD2 PHE 46 HD1 PHE 46 62.820 11.722 4.845
358 HE1 PHE 46 HE2 PHE 46 64.366 15.896 7.036
359 HE2 PHE 46 HE1 PHE 46 63.035 11.821 7.314
360 HZ PHE 46 HZ PHE 46 63.806 13.909 8.410
361 H TRP 47 HN TRP 47 64.379 11.215 1.732
362 HA TRP 47 HA TRP 47 65.518 9.838 3.907
363 HB2 TRP 47 HB2 TRP 47 63.960 8.669 2.551
364 HB3 TRP 47 HB1 TRP 47 64.880 8.997 1.084
365 HD1 TRP 47 HD1 TRP 47 66.581 7.234 0.376
366 HE1 TRP 47 HE1 TRP 47 67.620 5.142 1.472
367 HE3 TRP 47 HE3 TRP 47 64.706 7.691 5.104
368 HZ2 TRP 47 HZ2 TRP 47 67.647 3.837 4.016
369 HZ3 TRP 47 HZ3 TRP 47 65.252 6.010 6.841
370 HH2 TRP 47 HH2 TRP 47 66.720 4.086 6.304
371 H ASN 48 HN ASN 48 66.866 10.761 0.762
372 HA ASN 48 HA ASN 48 69.313 9.370 1.001
373 HB2 ASN 48 HB2 ASN 48 68.463 11.802 -0.564
374 HB3 ASN 48 HB1 ASN 48 70.112 11.186 -0.635
375 HD21 ASN 48 HD21 ASN 48 68.417 11.165 -2.941
376 HD22 ASN 48 HD22 ASN 48 68.070 9.550 -3.332
377 H ASP 49 HN ASP 49 68.320 12.631 1.985
378 HA ASP 49 HA ASP 49 70.968 13.114 3.152
379 HB2 ASP 49 HB2 ASP 49 69.764 14.875 1.797
380 HB3 ASP 49 HB1 ASP 49 68.586 14.972 3.105
381 H PHE 50 HN PHE 50 71.272 12.283 5.119
382 HA PHE 50 HA PHE 50 69.371 12.930 7.233
383 HB2 PHE 50 HB2 PHE 50 68.532 10.775 6.449
384 HB3 PHE 50 HB1 PHE 50 70.144 10.073 6.587
385 HD1 PHE 50 HD2 PHE 50 67.510 11.816 8.592
386 HD2 PHE 50 HD1 PHE 50 70.847 9.113 8.615
387 HE1 PHE 50 HE2 PHE 50 67.084 11.313 10.982
388 HE2 PHE 50 HE1 PHE 50 70.422 8.608 11.007
389 HZ PHE 50 HZ PHE 50 68.539 9.710 12.190
Start of MODEL 20
1 H1 MET 1 HT1 MET 1 33.768 26.001 -20.650
2 H2 MET 1 HT2 MET 1 33.330 25.333 -22.147
3 H3 MET 1 HT3 MET 1 32.137 25.659 -20.977
4 HA MET 1 HA MET 1 33.531 27.483 -22.789
5 HB2 MET 1 HB2 MET 1 31.151 26.735 -23.084
6 HB3 MET 1 HB1 MET 1 30.759 27.531 -21.563
7 HG2 MET 1 HG2 MET 1 31.563 29.684 -22.490
8 HG3 MET 1 HG1 MET 1 31.923 28.882 -24.021
9 HE1 MET 1 HE1 MET 1 30.124 29.300 -25.997
10 HE2 MET 1 HE2 MET 1 28.758 28.214 -25.752
11 HE3 MET 1 HE3 MET 1 30.391 27.656 -25.396
12 H ALA 2 HN ALA 2 33.757 29.683 -22.284
13 HA ALA 2 HA ALA 2 34.688 30.204 -19.645
14 HB1 ALA 2 HB1 ALA 2 35.816 31.508 -21.167
15 HB2 ALA 2 HB2 ALA 2 34.581 32.659 -20.659
16 HB3 ALA 2 HB3 ALA 2 34.386 31.765 -22.168
17 H GLU 3 HN GLU 3 33.803 31.439 -18.024
18 HA GLU 3 HA GLU 3 32.154 32.310 -16.688
19 HB2 GLU 3 HB2 GLU 3 31.117 33.282 -19.365
20 HB3 GLU 3 HB1 GLU 3 30.489 33.809 -17.807
21 HG2 GLU 3 HG2 GLU 3 33.377 34.066 -18.677
22 HG3 GLU 3 HG1 GLU 3 32.195 35.372 -18.735
23 H ALA 4 HN ALA 4 31.879 29.582 -17.692
24 HA ALA 4 HA ALA 4 29.154 29.029 -18.318
25 HB1 ALA 4 HB1 ALA 4 31.586 27.495 -17.713
26 HB2 ALA 4 HB2 ALA 4 30.311 27.177 -18.890
27 HB3 ALA 4 HB3 ALA 4 30.090 26.712 -17.201
28 H HIS 5 HN HIS 5 27.484 28.334 -17.055
29 HA HIS 5 HA HIS 5 27.738 28.848 -14.155
30 HB2 HIS 5 HB2 HIS 5 25.331 28.927 -15.994
31 HB3 HIS 5 HB1 HIS 5 25.280 29.211 -14.255
32 HD2 HIS 5 HD2 HIS 5 26.222 31.744 -13.439
33 HE1 HIS 5 HE1 HIS 5 27.117 33.187 -17.302
34 HE2 HIS 5 HE2 HIS 5 26.915 33.825 -14.853
35 H GLN 6 HN GLN 6 27.422 27.187 -12.774
36 HA GLN 6 HA GLN 6 26.105 24.733 -13.780
37 HB2 GLN 6 HB2 GLN 6 28.552 24.919 -12.002
38 HB3 GLN 6 HB1 GLN 6 27.711 23.426 -12.412
39 HG2 GLN 6 HG2 GLN 6 28.989 25.310 -14.418
40 HG3 GLN 6 HG1 GLN 6 29.697 23.796 -13.858
41 HE21 GLN 6 HE21 GLN 6 28.194 24.940 -16.518
42 HE22 GLN 6 HE22 GLN 6 27.301 23.571 -16.981
43 H ALA 7 HN ALA 7 24.641 23.787 -12.404
44 HA ALA 7 HA ALA 7 23.586 25.339 -10.273
45 HB1 ALA 7 HB1 ALA 7 22.263 23.697 -11.605
46 HB2 ALA 7 HB2 ALA 7 22.109 23.465 -9.864
47 HB3 ALA 7 HB3 ALA 7 23.145 22.393 -10.805
48 H VAL 8 HN VAL 8 23.787 25.170 -8.098
49 HA VAL 8 HA VAL 8 25.717 23.211 -7.023
50 HB VAL 8 HB VAL 8 26.939 25.260 -7.134
51 HG11 VAL 8 HG11 VAL 8 25.086 26.787 -7.574
52 HG12 VAL 8 HG12 VAL 8 25.998 27.373 -6.183
53 HG13 VAL 8 HG13 VAL 8 24.462 26.544 -5.942
54 HG21 VAL 8 HG21 VAL 8 25.778 25.263 -4.338
55 HG22 VAL 8 HG22 VAL 8 27.416 25.686 -4.832
56 HG23 VAL 8 HG23 VAL 8 26.886 24.007 -4.894
57 H GLY 9 HN GLY 9 25.095 22.225 -5.193
58 HA2 GLY 9 HA2 GLY 9 23.930 21.827 -3.222
59 HA3 GLY 9 HA1 GLY 9 23.089 23.357 -3.439
60 H PHE 10 HN PHE 10 23.057 21.428 -6.233
61 HA PHE 10 HA PHE 10 20.348 20.400 -5.594
62 HB2 PHE 10 HB2 PHE 10 20.068 22.170 -7.189
63 HB3 PHE 10 HB1 PHE 10 21.419 21.584 -8.159
64 HD1 PHE 10 HD1 PHE 10 18.090 20.495 -6.829
65 HD2 PHE 10 HD2 PHE 10 21.038 20.109 -9.927
66 HE1 PHE 10 HE1 PHE 10 16.567 19.005 -8.092
67 HE2 PHE 10 HE2 PHE 10 19.520 18.615 -11.188
68 HZ PHE 10 HZ PHE 10 17.281 18.061 -10.270
69 H ARG 11 HN ARG 11 20.096 18.233 -5.826
70 HA ARG 11 HA ARG 11 21.838 16.792 -7.694
71 HB2 ARG 11 HB2 ARG 11 21.519 16.064 -4.769
72 HB3 ARG 11 HB1 ARG 11 22.324 15.065 -5.973
73 HG2 ARG 11 HG2 ARG 11 23.766 17.199 -6.430
74 HG3 ARG 11 HG1 ARG 11 23.190 17.725 -4.848
75 HD2 ARG 11 HD2 ARG 11 24.978 16.553 -4.072
76 HD3 ARG 11 HD1 ARG 11 23.932 15.154 -4.299
77 HE ARG 11 HE ARG 11 25.066 15.423 -6.738
78 HH11 ARG 11 HH21 ARG 11 26.331 15.445 -3.524
79 HH12 ARG 11 HH22 ARG 11 27.857 14.767 -3.978
80 HH21 ARG 11 HH11 ARG 11 27.065 14.555 -7.339
81 HH22 ARG 11 HH12 ARG 11 28.275 14.264 -6.132
82 HA PRO 12 HA PRO 12 18.016 14.740 -8.606
83 HB2 PRO 12 HB2 PRO 12 18.913 12.253 -9.379
84 HB3 PRO 12 HB1 PRO 12 18.971 13.696 -10.414
85 HG2 PRO 12 HG2 PRO 12 21.124 12.445 -8.782
86 HG3 PRO 12 HG1 PRO 12 21.206 13.159 -10.403
87 HD2 PRO 12 HD2 PRO 12 22.076 14.488 -8.204
88 HD3 PRO 12 HD1 PRO 12 21.347 15.337 -9.585
89 H SER 13 HN SER 13 16.519 13.430 -7.612
90 HA SER 13 HA SER 13 17.072 12.588 -4.948
91 HB2 SER 13 HB2 SER 13 14.741 11.758 -4.984
92 HB3 SER 13 HB1 SER 13 14.858 13.404 -5.600
93 HG SER 13 HG SER 13 15.126 11.289 -7.405
94 H LEU 14 HN LEU 14 17.353 11.079 -8.018
95 HA LEU 14 HA LEU 14 16.905 8.396 -7.292
96 HB2 LEU 14 HB2 LEU 14 17.050 9.127 -9.632
97 HB3 LEU 14 HB1 LEU 14 18.750 9.532 -9.415
98 HG LEU 14 HG LEU 14 19.266 7.173 -8.951
99 HD11 LEU 14 HD11 LEU 14 17.277 5.564 -9.570
100 HD12 LEU 14 HD12 LEU 14 16.276 6.936 -9.096
101 HD13 LEU 14 HD13 LEU 14 17.395 6.215 -7.935
102 HD21 LEU 14 HD21 LEU 14 18.759 6.285 -11.213
103 HD22 LEU 14 HD22 LEU 14 19.303 7.958 -11.284
104 HD23 LEU 14 HD23 LEU 14 17.587 7.585 -11.444
105 H THR 15 HN THR 15 19.845 10.393 -7.249
106 HA THR 15 HA THR 15 21.080 8.401 -5.446
107 HB THR 15 HB THR 15 23.247 8.776 -6.500
108 HG1 THR 15 HG1 THR 15 23.532 10.344 -7.860
109 HG21 THR 15 HG21 THR 15 21.495 7.099 -7.416
110 HG22 THR 15 HG22 THR 15 22.889 7.482 -8.429
111 HG23 THR 15 HG23 THR 15 21.329 8.237 -8.752
112 H SER 16 HN SER 16 22.750 9.262 -4.081
113 HA SER 16 HA SER 16 23.017 12.124 -3.797
114 HB2 SER 16 HB2 SER 16 22.159 12.109 -1.440
115 HB3 SER 16 HB1 SER 16 20.910 11.850 -2.656
116 HG SER 16 HG SER 16 20.683 10.307 -1.046
117 H ASP 17 HN ASP 17 24.531 12.677 -2.060
118 HA ASP 17 HA ASP 17 26.801 10.971 -2.053
119 HB2 ASP 17 HB2 ASP 17 26.044 13.494 -0.603
120 HB3 ASP 17 HB1 ASP 17 27.534 12.649 -0.214
121 H GLY 18 HN GLY 18 27.586 9.591 -0.513
122 HA2 GLY 18 HA2 GLY 18 26.008 9.263 1.970
123 HA3 GLY 18 HA1 GLY 18 26.498 7.869 1.015
124 H ALA 19 HN ALA 19 27.185 8.907 3.812
125 HA ALA 19 HA ALA 19 29.929 9.640 3.805
126 HB1 ALA 19 HB1 ALA 19 28.986 8.160 6.164
127 HB2 ALA 19 HB2 ALA 19 27.954 9.514 5.707
128 HB3 ALA 19 HB3 ALA 19 29.663 9.785 6.049
129 H GLU 20 HN GLU 20 31.769 8.431 3.937
130 HA GLU 20 HA GLU 20 31.509 5.503 4.056
131 HB2 GLU 20 HB2 GLU 20 32.970 7.054 1.911
132 HB3 GLU 20 HB1 GLU 20 33.174 5.326 2.195
133 HG2 GLU 20 HG2 GLU 20 30.790 4.940 1.775
134 HG3 GLU 20 HG1 GLU 20 30.528 6.672 1.570
135 H VAL 21 HN VAL 21 32.895 8.263 5.189
136 HA VAL 21 HA VAL 21 35.598 7.493 5.555
137 HB VAL 21 HB VAL 21 35.643 9.268 7.259
138 HG11 VAL 21 HG11 VAL 21 34.729 9.525 4.515
139 HG12 VAL 21 HG12 VAL 21 35.872 10.528 5.406
140 HG13 VAL 21 HG13 VAL 21 34.144 10.863 5.504
141 HG21 VAL 21 HG21 VAL 21 32.711 8.806 7.110
142 HG22 VAL 21 HG22 VAL 21 33.214 10.490 7.233
143 HG23 VAL 21 HG23 VAL 21 33.699 9.330 8.472
144 H GLU 22 HN GLU 22 32.680 7.048 7.511
145 HA GLU 22 HA GLU 22 33.966 6.023 9.812
146 HB2 GLU 22 HB2 GLU 22 31.169 5.667 8.723
147 HB3 GLU 22 HB1 GLU 22 31.678 5.104 10.314
148 HG2 GLU 22 HG2 GLU 22 32.252 7.374 10.981
149 HG3 GLU 22 HG1 GLU 22 31.899 7.974 9.362
150 H LEU 23 HN LEU 23 32.539 4.450 6.973
151 HA LEU 23 HA LEU 23 33.841 1.922 7.802
152 HB2 LEU 23 HB2 LEU 23 31.370 2.326 6.097
153 HB3 LEU 23 HB1 LEU 23 32.082 0.771 6.526
154 HG LEU 23 HG LEU 23 31.012 2.805 8.514
155 HD11 LEU 23 HD11 LEU 23 29.858 0.254 7.368
156 HD12 LEU 23 HD12 LEU 23 29.143 1.869 7.362
157 HD13 LEU 23 HD13 LEU 23 29.276 0.969 8.872
158 HD21 LEU 23 HD21 LEU 23 32.512 1.616 9.801
159 HD22 LEU 23 HD22 LEU 23 32.452 0.198 8.754
160 HD23 LEU 23 HD23 LEU 23 31.143 0.511 9.891
161 H SER 24 HN SER 24 35.429 1.232 6.537
162 HA SER 24 HA SER 24 35.694 0.801 3.939
163 HB2 SER 24 HB2 SER 24 35.870 3.767 4.346
164 HB3 SER 24 HB1 SER 24 36.910 3.011 3.150
165 HG SER 24 HG SER 24 34.163 3.343 3.179
166 H ALA 25 HN ALA 25 36.845 0.763 6.781
167 HA ALA 25 HA ALA 25 39.441 1.552 6.959
168 HB1 ALA 25 HB1 ALA 25 39.405 -1.093 7.968
169 HB2 ALA 25 HB2 ALA 25 37.800 -0.415 8.240
170 HB3 ALA 25 HB3 ALA 25 39.226 0.413 8.866
171 HA PRO 26 HA PRO 26 40.920 -2.538 4.696
172 HB2 PRO 26 HB2 PRO 26 38.677 -2.707 2.732
173 HB3 PRO 26 HB1 PRO 26 39.601 -4.011 3.501
174 HG2 PRO 26 HG2 PRO 26 37.124 -3.461 4.266
175 HG3 PRO 26 HG1 PRO 26 38.367 -3.913 5.446
176 HD2 PRO 26 HD2 PRO 26 37.219 -1.208 4.868
177 HD3 PRO 26 HD1 PRO 26 37.747 -1.895 6.420
178 H VAL 27 HN VAL 27 38.932 -0.154 2.966
179 HA VAL 27 HA VAL 27 40.625 0.100 0.693
180 HB VAL 27 HB VAL 27 38.519 1.925 1.853
181 HG11 VAL 27 HG11 VAL 27 40.316 2.169 -0.540
182 HG12 VAL 27 HG12 VAL 27 39.808 3.413 0.600
183 HG13 VAL 27 HG13 VAL 27 38.678 2.818 -0.614
184 HG21 VAL 27 HG21 VAL 27 37.925 -0.373 0.885
185 HG22 VAL 27 HG22 VAL 27 38.462 0.263 -0.668
186 HG23 VAL 27 HG23 VAL 27 37.103 1.013 0.171
187 H LEU 28 HN LEU 28 40.345 1.864 3.759
188 HA LEU 28 HA LEU 28 42.214 3.882 3.089
189 HB2 LEU 28 HB2 LEU 28 41.068 2.922 5.680
190 HB3 LEU 28 HB1 LEU 28 42.471 3.990 5.711
191 HG LEU 28 HG LEU 28 41.202 5.585 4.227
192 HD11 LEU 28 HD11 LEU 28 38.767 5.301 4.030
193 HD12 LEU 28 HD12 LEU 28 38.864 3.767 4.889
194 HD13 LEU 28 HD13 LEU 28 39.595 3.929 3.293
195 HD21 LEU 28 HD21 LEU 28 40.664 4.906 7.025
196 HD22 LEU 28 HD22 LEU 28 39.348 5.805 6.267
197 HD23 LEU 28 HD23 LEU 28 40.976 6.476 6.290
198 H GLN 29 HN GLN 29 42.638 0.744 4.651
199 HA GLN 29 HA GLN 29 45.363 1.048 5.329
200 HB2 GLN 29 HB2 GLN 29 43.728 -1.411 4.705
201 HB3 GLN 29 HB1 GLN 29 45.372 -1.460 5.335
202 HG2 GLN 29 HG2 GLN 29 44.674 -0.176 7.312
203 HG3 GLN 29 HG1 GLN 29 43.033 -0.070 6.675
204 HE21 GLN 29 HE21 GLN 29 42.903 -1.244 9.030
205 HE22 GLN 29 HE22 GLN 29 42.878 -2.938 8.949
206 H GLU 30 HN GLU 30 43.792 -0.150 2.368
207 HA GLU 30 HA GLU 30 46.196 -0.963 1.069
208 HB2 GLU 30 HB2 GLU 30 43.953 -1.729 0.377
209 HB3 GLU 30 HB1 GLU 30 43.550 -0.085 -0.120
210 HG2 GLU 30 HG2 GLU 30 44.206 -1.285 -2.098
211 HG3 GLU 30 HG1 GLU 30 45.530 -0.188 -1.716
212 H ILE 31 HN ILE 31 44.325 2.096 1.091
213 HA ILE 31 HA ILE 31 45.902 3.419 -0.867
214 HB ILE 31 HB ILE 31 44.252 4.515 1.428
215 HG12 ILE 31 HG12 ILE 31 43.701 4.542 -1.551
216 HG13 ILE 31 HG11 ILE 31 43.111 3.267 -0.486
217 HG21 ILE 31 HG21 ILE 31 45.792 6.244 0.946
218 HG22 ILE 31 HG22 ILE 31 44.388 6.639 -0.044
219 HG23 ILE 31 HG23 ILE 31 45.799 5.876 -0.778
220 HD11 ILE 31 HD11 ILE 31 41.937 4.953 0.882
221 HD12 ILE 31 HD12 ILE 31 41.406 5.030 -0.800
222 HD13 ILE 31 HD13 ILE 31 42.538 6.230 -0.175
223 H TYR 32 HN TYR 32 46.093 3.203 2.680
224 HA TYR 32 HA TYR 32 48.271 4.945 3.024
225 HB2 TYR 32 HB2 TYR 32 46.974 4.169 4.935
226 HB3 TYR 32 HB1 TYR 32 47.465 2.503 4.624
227 HD1 TYR 32 HD1 TYR 32 48.783 5.887 5.512
228 HD2 TYR 32 HD2 TYR 32 49.524 1.658 5.401
229 HE1 TYR 32 HE1 TYR 32 50.859 6.215 6.830
230 HE2 TYR 32 HE2 TYR 32 51.601 1.985 6.719
231 HH TYR 32 HH TYR 32 52.288 4.500 8.500
232 H LEU 33 HN LEU 33 48.175 1.417 2.480
233 HA LEU 33 HA LEU 33 50.976 1.037 2.584
234 HB2 LEU 33 HB2 LEU 33 48.778 -0.538 1.240
235 HB3 LEU 33 HB1 LEU 33 50.456 -1.070 1.257
236 HG LEU 33 HG LEU 33 48.865 -0.418 3.759
237 HD11 LEU 33 HD11 LEU 33 48.817 -2.942 4.008
238 HD12 LEU 33 HD12 LEU 33 49.370 -3.045 2.336
239 HD13 LEU 33 HD13 LEU 33 47.812 -2.311 2.703
240 HD21 LEU 33 HD21 LEU 33 50.927 -2.260 4.287
241 HD22 LEU 33 HD22 LEU 33 50.915 -0.553 4.728
242 HD23 LEU 33 HD23 LEU 33 51.664 -1.069 3.219
243 H SER 34 HN SER 34 48.780 1.740 -0.123
244 HA SER 34 HA SER 34 50.769 1.526 -2.145
245 HB2 SER 34 HB2 SER 34 49.171 2.764 -3.561
246 HB3 SER 34 HB1 SER 34 48.390 1.443 -2.697
247 HG SER 34 HG SER 34 47.095 3.158 -2.340
248 H GLY 35 HN GLY 35 49.663 4.192 -0.081
249 HA2 GLY 35 HA2 GLY 35 51.047 6.260 -1.433
250 HA3 GLY 35 HA1 GLY 35 50.499 6.307 0.238
251 H LEU 36 HN LEU 36 52.026 4.042 1.177
252 HA LEU 36 HA LEU 36 54.427 5.346 1.837
253 HB2 LEU 36 HB2 LEU 36 53.456 3.630 3.279
254 HB3 LEU 36 HB1 LEU 36 53.722 2.404 2.042
255 HG LEU 36 HG LEU 36 56.159 2.752 2.212
256 HD11 LEU 36 HD11 LEU 36 56.754 4.172 4.397
257 HD12 LEU 36 HD12 LEU 36 55.249 4.991 3.980
258 HD13 LEU 36 HD13 LEU 36 56.578 4.952 2.824
259 HD21 LEU 36 HD21 LEU 36 56.390 1.481 4.135
260 HD22 LEU 36 HD22 LEU 36 54.645 1.345 3.915
261 HD23 LEU 36 HD23 LEU 36 55.299 2.507 5.068
262 H ARG 37 HN ARG 37 53.691 2.852 -0.566
263 HA ARG 37 HA ARG 37 56.359 2.428 -1.431
264 HB2 ARG 37 HB2 ARG 37 54.477 0.911 -1.982
265 HB3 ARG 37 HB1 ARG 37 53.788 2.160 -3.018
266 HG2 ARG 37 HG2 ARG 37 55.885 2.135 -4.386
267 HG3 ARG 37 HG1 ARG 37 56.489 0.822 -3.379
268 HD2 ARG 37 HD2 ARG 37 53.897 0.700 -4.933
269 HD3 ARG 37 HD1 ARG 37 55.427 0.058 -5.527
270 HE ARG 37 HE ARG 37 53.739 -1.099 -3.468
271 HH11 ARG 37 HH21 ARG 37 56.903 -0.865 -4.868
272 HH12 ARG 37 HH22 ARG 37 57.427 -2.409 -4.283
273 HH21 ARG 37 HH11 ARG 37 54.433 -3.120 -2.684
274 HH22 ARG 37 HH12 ARG 37 56.029 -3.684 -3.048
275 H SER 38 HN SER 38 53.818 4.666 -2.514
276 HA SER 38 HA SER 38 55.346 5.835 -4.642
277 HB2 SER 38 HB2 SER 38 52.775 5.820 -4.315
278 HB3 SER 38 HB1 SER 38 53.049 7.175 -3.226
279 HG SER 38 HG SER 38 53.763 8.378 -4.878
280 H TRP 39 HN TRP 39 54.801 6.580 -1.254
281 HA TRP 39 HA TRP 39 55.813 9.189 -1.170
282 HB2 TRP 39 HB2 TRP 39 55.691 7.005 0.885
283 HB3 TRP 39 HB1 TRP 39 56.333 8.598 1.253
284 HD1 TRP 39 HD1 TRP 39 53.588 8.948 -1.217
285 HE1 TRP 39 HE1 TRP 39 51.422 9.691 -0.046
286 HE3 TRP 39 HE3 TRP 39 54.886 8.132 3.672
287 HZ2 TRP 39 HZ2 TRP 39 50.366 9.898 2.599
288 HZ3 TRP 39 HZ3 TRP 39 53.267 8.611 5.494
289 HH2 TRP 39 HH2 TRP 39 51.012 9.493 4.958
290 H LYS 40 HN LYS 40 57.508 6.085 -1.153
291 HA LYS 40 HA LYS 40 59.986 7.011 -0.240
292 HB2 LYS 40 HB2 LYS 40 59.460 4.615 -0.650
293 HB3 LYS 40 HB1 LYS 40 59.538 4.930 -2.384
294 HG2 LYS 40 HG2 LYS 40 61.875 5.668 -2.169
295 HG3 LYS 40 HG1 LYS 40 61.804 5.414 -0.425
296 HD2 LYS 40 HD2 LYS 40 61.371 3.011 -0.791
297 HD3 LYS 40 HD1 LYS 40 61.438 3.261 -2.534
298 HE2 LYS 40 HE2 LYS 40 63.765 4.031 -2.344
299 HE3 LYS 40 HE1 LYS 40 63.704 3.816 -0.594
300 HZ1 LYS 40 HZ1 LYS 40 63.088 1.582 -2.424
301 HZ2 LYS 40 HZ2 LYS 40 63.579 1.528 -0.796
302 HZ3 LYS 40 HZ3 LYS 40 64.692 1.951 -2.009
303 H ARG 41 HN ARG 41 58.610 7.075 -3.558
304 HA ARG 41 HA ARG 41 60.938 8.013 -4.818
305 HB2 ARG 41 HB2 ARG 41 58.011 8.405 -5.447
306 HB3 ARG 41 HB1 ARG 41 59.309 8.940 -6.512
307 HG2 ARG 41 HG2 ARG 41 60.158 6.638 -6.667
308 HG3 ARG 41 HG1 ARG 41 58.893 6.088 -5.569
309 HD2 ARG 41 HD2 ARG 41 57.177 6.857 -7.164
310 HD3 ARG 41 HD1 ARG 41 58.444 7.377 -8.271
311 HE ARG 41 HE ARG 41 57.650 4.618 -7.706
312 HH11 ARG 41 HH21 ARG 41 59.941 6.813 -9.091
313 HH12 ARG 41 HH22 ARG 41 60.590 5.651 -10.199
314 HH21 ARG 41 HH11 ARG 41 58.532 3.078 -9.135
315 HH22 ARG 41 HH12 ARG 41 59.811 3.538 -10.211
316 H HIS 42 HN HIS 42 58.316 9.593 -3.232
317 HA HIS 42 HA HIS 42 59.151 12.316 -3.746
318 HB2 HIS 42 HB2 HIS 42 57.046 11.100 -1.958
319 HB3 HIS 42 HB1 HIS 42 57.360 12.835 -2.003
320 HD2 HIS 42 HD2 HIS 42 56.251 14.151 -4.202
321 HE1 HIS 42 HE1 HIS 42 54.917 10.720 -6.269
322 HE2 HIS 42 HE2 HIS 42 54.895 13.259 -6.248
323 H LEU 43 HN LEU 43 59.519 10.006 -1.179
324 HA LEU 43 HA LEU 43 60.692 11.821 0.742
325 HB2 LEU 43 HB2 LEU 43 59.254 9.697 1.196
326 HB3 LEU 43 HB1 LEU 43 60.758 8.829 0.934
327 HG LEU 43 HG LEU 43 61.832 10.274 2.689
328 HD11 LEU 43 HD11 LEU 43 60.719 12.141 3.273
329 HD12 LEU 43 HD12 LEU 43 59.629 11.093 4.176
330 HD13 LEU 43 HD13 LEU 43 59.221 11.572 2.531
331 HD21 LEU 43 HD21 LEU 43 61.086 8.058 3.304
332 HD22 LEU 43 HD22 LEU 43 59.416 8.603 3.438
333 HD23 LEU 43 HD23 LEU 43 60.622 9.159 4.601
334 H SER 44 HN SER 44 61.868 10.286 -2.003
335 HA SER 44 HA SER 44 64.304 9.194 -1.222
336 HB2 SER 44 HB2 SER 44 63.628 8.857 -3.463
337 HB3 SER 44 HB1 SER 44 63.443 10.586 -3.749
338 HG SER 44 HG SER 44 65.582 10.807 -3.892
339 H ARG 45 HN ARG 45 63.631 12.616 -2.134
340 HA ARG 45 HA ARG 45 66.295 13.469 -1.960
341 HB2 ARG 45 HB2 ARG 45 64.410 14.793 -2.912
342 HB3 ARG 45 HB1 ARG 45 63.807 15.046 -1.277
343 HG2 ARG 45 HG2 ARG 45 65.877 16.182 -0.648
344 HG3 ARG 45 HG1 ARG 45 66.547 15.884 -2.253
345 HD2 ARG 45 HD2 ARG 45 64.626 17.163 -3.229
346 HD3 ARG 45 HD1 ARG 45 64.111 17.565 -1.593
347 HE ARG 45 HE ARG 45 66.859 18.269 -2.122
348 HH11 ARG 45 HH21 ARG 45 63.541 19.191 -2.407
349 HH12 ARG 45 HH22 ARG 45 63.873 20.893 -2.456
350 HH21 ARG 45 HH11 ARG 45 67.306 20.486 -2.141
351 HH22 ARG 45 HH12 ARG 45 66.013 21.627 -2.290
352 H PHE 46 HN PHE 46 63.734 13.586 0.520
353 HA PHE 46 HA PHE 46 65.422 14.569 2.582
354 HB2 PHE 46 HB2 PHE 46 62.755 13.166 2.671
355 HB3 PHE 46 HB1 PHE 46 63.560 13.822 4.094
356 HD1 PHE 46 HD1 PHE 46 63.968 16.255 4.309
357 HD2 PHE 46 HD2 PHE 46 61.787 14.607 0.994
358 HE1 PHE 46 HE1 PHE 46 63.133 18.516 3.734
359 HE2 PHE 46 HE2 PHE 46 60.944 16.870 0.426
360 HZ PHE 46 HZ PHE 46 61.619 18.824 1.797
361 H TRP 47 HN TRP 47 64.445 11.311 1.642
362 HA TRP 47 HA TRP 47 65.486 9.947 3.879
363 HB2 TRP 47 HB2 TRP 47 63.927 8.808 2.502
364 HB3 TRP 47 HB1 TRP 47 64.879 9.100 1.051
365 HD1 TRP 47 HD1 TRP 47 65.412 7.351 4.466
366 HE1 TRP 47 HE1 TRP 47 66.747 5.188 4.044
367 HE3 TRP 47 HE3 TRP 47 66.110 7.713 -0.582
368 HZ2 TRP 47 HZ2 TRP 47 67.949 3.792 1.860
369 HZ3 TRP 47 HZ3 TRP 47 67.354 5.949 -1.805
370 HH2 TRP 47 HH2 TRP 47 68.273 3.991 -0.591
371 H ASN 48 HN ASN 48 66.957 10.860 0.786
372 HA ASN 48 HA ASN 48 69.522 9.714 1.664
373 HB2 ASN 48 HB2 ASN 48 68.512 10.624 -1.024
374 HB3 ASN 48 HB1 ASN 48 70.200 10.216 -0.727
375 HD21 ASN 48 HD21 ASN 48 69.295 8.050 1.279
376 HD22 ASN 48 HD22 ASN 48 68.774 6.777 0.291
377 H ASP 49 HN ASP 49 68.138 12.442 2.373
378 HA ASP 49 HA ASP 49 69.841 14.463 1.343
379 HB2 ASP 49 HB2 ASP 49 69.024 15.856 3.200
380 HB3 ASP 49 HB1 ASP 49 67.703 15.036 2.375
381 H PHE 50 HN PHE 50 70.088 12.314 4.120
382 HA PHE 50 HA PHE 50 72.877 13.197 4.468
383 HB2 PHE 50 HB2 PHE 50 71.587 14.352 6.196
384 HB3 PHE 50 HB1 PHE 50 70.881 12.822 6.716
385 HD1 PHE 50 HD1 PHE 50 74.105 14.660 6.350
386 HD2 PHE 50 HD2 PHE 50 72.057 11.370 8.205
387 HE1 PHE 50 HE1 PHE 50 76.072 14.255 7.799
388 HE2 PHE 50 HE2 PHE 50 74.032 10.962 9.649
389 HZ PHE 50 HZ PHE 50 76.038 12.408 9.448