Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
521803 | 2le3 RC | 17690 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 51.589 -8.148 8.276
2 H2 MET 1 HT2 MET 1 52.266 -7.434 6.889
3 H3 MET 1 HT3 MET 1 52.690 -9.022 7.326
4 HA MET 1 HA MET 1 51.046 -8.765 5.437
5 HB2 MET 1 HB2 MET 1 50.471 -10.439 7.895
6 HB3 MET 1 HB1 MET 1 49.654 -10.667 6.350
7 HG2 MET 1 HG2 MET 1 51.837 -11.031 5.251
8 HG3 MET 1 HG1 MET 1 52.647 -10.831 6.804
9 HE1 MET 1 HE1 MET 1 53.006 -14.380 5.616
10 HE2 MET 1 HE2 MET 1 53.655 -13.751 7.128
11 HE3 MET 1 HE3 MET 1 53.625 -12.726 5.695
12 H ALA 2 HN ALA 2 48.815 -9.511 7.924
13 HA ALA 2 HA ALA 2 46.897 -7.633 6.979
14 HB1 ALA 2 HB1 ALA 2 45.674 -8.392 9.129
15 HB2 ALA 2 HB2 ALA 2 47.016 -9.523 9.315
16 HB3 ALA 2 HB3 ALA 2 45.992 -9.599 7.879
17 H GLU 3 HN GLU 3 46.181 -5.724 7.808
18 HA GLU 3 HA GLU 3 47.516 -4.654 10.210
19 HB2 GLU 3 HB2 GLU 3 47.201 -3.261 7.539
20 HB3 GLU 3 HB1 GLU 3 47.621 -2.426 9.034
21 HG2 GLU 3 HG2 GLU 3 49.641 -3.763 9.271
22 HG3 GLU 3 HG1 GLU 3 49.204 -4.729 7.864
23 H ALA 4 HN ALA 4 46.289 -3.112 11.378
24 HA ALA 4 HA ALA 4 43.496 -3.554 11.403
25 HB1 ALA 4 HB1 ALA 4 44.078 -2.808 13.467
26 HB2 ALA 4 HB2 ALA 4 43.769 -1.215 12.775
27 HB3 ALA 4 HB3 ALA 4 45.417 -1.840 12.849
28 H HIS 5 HN HIS 5 45.489 -0.978 10.031
29 HA HIS 5 HA HIS 5 43.416 0.794 9.330
30 HB2 HIS 5 HB2 HIS 5 46.244 0.379 8.538
31 HB3 HIS 5 HB1 HIS 5 45.241 1.284 7.406
32 HD2 HIS 5 HD2 HIS 5 47.058 1.853 10.759
33 HE1 HIS 5 HE1 HIS 5 44.499 5.164 10.195
34 HE2 HIS 5 HE2 HIS 5 46.415 4.246 11.587
35 H GLN 6 HN GLN 6 44.878 -1.914 7.547
36 HA GLN 6 HA GLN 6 43.412 -1.507 5.147
37 HB2 GLN 6 HB2 GLN 6 44.745 -3.980 6.270
38 HB3 GLN 6 HB1 GLN 6 44.089 -3.854 4.638
39 HG2 GLN 6 HG2 GLN 6 45.600 -2.009 4.125
40 HG3 GLN 6 HG1 GLN 6 46.212 -2.018 5.778
41 HE21 GLN 6 HE21 GLN 6 46.930 -3.127 2.695
42 HE22 GLN 6 HE22 GLN 6 47.932 -4.430 3.112
43 H ALA 7 HN ALA 7 42.826 -3.503 8.026
44 HA ALA 7 HA ALA 7 40.564 -4.881 7.043
45 HB1 ALA 7 HB1 ALA 7 41.383 -5.854 8.968
46 HB2 ALA 7 HB2 ALA 7 40.037 -4.929 9.635
47 HB3 ALA 7 HB3 ALA 7 41.682 -4.302 9.752
48 H VAL 8 HN VAL 8 40.890 -1.775 8.720
49 HA VAL 8 HA VAL 8 38.028 -1.263 8.141
50 HB VAL 8 HB VAL 8 39.662 -0.537 10.574
51 HG11 VAL 8 HG11 VAL 8 38.503 1.486 10.076
52 HG12 VAL 8 HG12 VAL 8 37.487 0.656 11.251
53 HG13 VAL 8 HG13 VAL 8 37.064 0.618 9.538
54 HG21 VAL 8 HG21 VAL 8 36.896 -1.718 10.491
55 HG22 VAL 8 HG22 VAL 8 38.139 -1.886 11.732
56 HG23 VAL 8 HG23 VAL 8 38.294 -2.754 10.203
57 H ALA 9 HN ALA 9 37.587 0.475 6.977
58 HA ALA 9 HA ALA 9 39.739 2.456 6.508
59 HB1 ALA 9 HB1 ALA 9 37.624 2.460 4.519
60 HB2 ALA 9 HB2 ALA 9 38.364 0.866 4.665
61 HB3 ALA 9 HB3 ALA 9 39.365 2.271 4.301
62 H PHE 10 HN PHE 10 36.547 1.927 7.665
63 HA PHE 10 HA PHE 10 36.267 4.820 8.031
64 HB2 PHE 10 HB2 PHE 10 34.079 4.970 7.230
65 HB3 PHE 10 HB1 PHE 10 34.929 4.025 6.019
66 HD1 PHE 10 HD1 PHE 10 34.918 1.342 7.692
67 HD2 PHE 10 HD2 PHE 10 31.893 4.229 6.698
68 HE1 PHE 10 HE1 PHE 10 33.176 -0.388 7.959
69 HE2 PHE 10 HE2 PHE 10 30.153 2.487 6.950
70 HZ PHE 10 HZ PHE 10 30.792 0.178 7.583
71 H GLN 11 HN GLN 11 35.606 5.448 9.982
72 HA GLN 11 HA GLN 11 34.366 3.411 11.741
73 HB2 GLN 11 HB2 GLN 11 36.607 5.311 12.446
74 HB3 GLN 11 HB1 GLN 11 35.696 4.370 13.628
75 HG2 GLN 11 HG2 GLN 11 36.358 2.287 12.500
76 HG3 GLN 11 HG1 GLN 11 37.246 3.214 11.292
77 HE21 GLN 11 HE21 GLN 11 39.423 2.817 11.750
78 HE22 GLN 11 HE22 GLN 11 40.128 2.976 13.285
79 H PHE 12 HN PHE 12 32.605 4.033 12.797
80 HA PHE 12 HA PHE 12 31.997 6.921 12.879
81 HB2 PHE 12 HB2 PHE 12 30.565 6.106 11.222
82 HB3 PHE 12 HB1 PHE 12 30.334 4.567 12.031
83 HD1 PHE 12 HD1 PHE 12 30.083 7.848 13.784
84 HD2 PHE 12 HD2 PHE 12 27.944 4.591 11.978
85 HE1 PHE 12 HE1 PHE 12 27.995 8.628 14.847
86 HE2 PHE 12 HE2 PHE 12 25.846 5.395 13.025
87 HZ PHE 12 HZ PHE 12 25.872 7.414 14.462
88 H THR 13 HN THR 13 31.739 7.615 14.926
89 HA THR 13 HA THR 13 30.748 5.681 16.944
90 HB THR 13 HB THR 13 32.651 7.770 17.824
91 HG1 THR 13 HG1 THR 13 34.281 6.957 16.773
92 HG21 THR 13 HG21 THR 13 33.298 6.020 19.375
93 HG22 THR 13 HG22 THR 13 32.366 4.829 18.468
94 HG23 THR 13 HG23 THR 13 31.539 6.120 19.337
95 H VAL 14 HN VAL 14 29.173 6.339 18.211
96 HA VAL 14 HA VAL 14 28.230 9.106 17.934
97 HB VAL 14 HB VAL 14 26.643 7.181 17.557
98 HG11 VAL 14 HG11 VAL 14 26.685 6.845 20.553
99 HG12 VAL 14 HG12 VAL 14 27.724 5.871 19.514
100 HG13 VAL 14 HG13 VAL 14 25.969 5.788 19.336
101 HG21 VAL 14 HG21 VAL 14 26.045 9.064 19.864
102 HG22 VAL 14 HG22 VAL 14 24.831 8.159 18.964
103 HG23 VAL 14 HG23 VAL 14 25.786 9.398 18.152
104 H THR 15 HN THR 15 28.582 10.566 19.527
105 HA THR 15 HA THR 15 29.242 9.503 22.197
106 HB THR 15 HB THR 15 30.523 11.859 22.221
107 HG1 THR 15 HG1 THR 15 31.545 11.957 20.102
108 HG21 THR 15 HG21 THR 15 31.509 9.233 21.077
109 HG22 THR 15 HG22 THR 15 31.570 9.744 22.765
110 HG23 THR 15 HG23 THR 15 32.569 10.557 21.560
111 HA PRO 16 HA PRO 16 25.961 11.925 23.898
112 HB2 PRO 16 HB2 PRO 16 27.944 13.325 25.625
113 HB3 PRO 16 HB1 PRO 16 26.472 12.456 26.088
114 HG2 PRO 16 HG2 PRO 16 28.938 11.453 26.461
115 HG3 PRO 16 HG1 PRO 16 27.521 10.439 26.150
116 HD2 PRO 16 HD2 PRO 16 29.801 11.048 24.367
117 HD3 PRO 16 HD1 PRO 16 28.666 9.679 24.341
118 H ASP 17 HN ASP 17 29.013 13.625 23.177
119 HA ASP 17 HA ASP 17 27.790 16.194 22.913
120 HB2 ASP 17 HB2 ASP 17 30.479 15.099 22.089
121 HB3 ASP 17 HB1 ASP 17 30.014 16.789 21.907
122 H GLY 18 HN GLY 18 28.072 13.452 20.726
123 HA2 GLY 18 HA2 GLY 18 26.416 14.394 18.804
124 HA3 GLY 18 HA1 GLY 18 27.956 15.114 18.348
125 H ILE 19 HN ILE 19 28.509 13.973 16.554
126 HA ILE 19 HA ILE 19 28.906 11.082 16.877
127 HB ILE 19 HB ILE 19 28.269 10.886 14.459
128 HG12 ILE 19 HG12 ILE 19 27.121 13.654 14.889
129 HG13 ILE 19 HG11 ILE 19 28.577 13.320 13.950
130 HG21 ILE 19 HG21 ILE 19 26.307 10.179 15.312
131 HG22 ILE 19 HG22 ILE 19 25.741 11.844 15.371
132 HG23 ILE 19 HG23 ILE 19 26.586 11.155 16.754
133 HD11 ILE 19 HD11 ILE 19 25.896 13.222 13.051
134 HD12 ILE 19 HD12 ILE 19 26.471 11.558 13.094
135 HD13 ILE 19 HD13 ILE 19 27.345 12.768 12.158
136 H ASP 20 HN ASP 20 30.645 10.294 15.756
137 HA ASP 20 HA ASP 20 32.464 12.274 14.523
138 HB2 ASP 20 HB2 ASP 20 33.227 11.697 16.812
139 HB3 ASP 20 HB1 ASP 20 33.292 10.000 16.342
140 H LEU 21 HN LEU 21 33.468 11.618 12.660
141 HA LEU 21 HA LEU 21 33.178 8.799 11.893
142 HB2 LEU 21 HB2 LEU 21 32.433 11.160 10.143
143 HB3 LEU 21 HB1 LEU 21 32.519 9.484 9.606
144 HG LEU 21 HG LEU 21 30.890 9.181 11.747
145 HD11 LEU 21 HD11 LEU 21 29.292 11.038 11.809
146 HD12 LEU 21 HD12 LEU 21 30.243 11.917 10.611
147 HD13 LEU 21 HD13 LEU 21 30.908 11.620 12.216
148 HD21 LEU 21 HD21 LEU 21 30.039 10.063 8.970
149 HD22 LEU 21 HD22 LEU 21 29.019 9.206 10.128
150 HD23 LEU 21 HD23 LEU 21 30.442 8.411 9.446
151 H ARG 22 HN ARG 22 35.022 8.027 11.286
152 HA ARG 22 HA ARG 22 37.104 9.879 10.271
153 HB2 ARG 22 HB2 ARG 22 37.433 7.443 12.028
154 HB3 ARG 22 HB1 ARG 22 38.772 8.320 11.290
155 HG2 ARG 22 HG2 ARG 22 38.090 10.380 12.449
156 HG3 ARG 22 HG1 ARG 22 36.713 9.536 13.158
157 HD2 ARG 22 HD2 ARG 22 38.487 9.611 14.808
158 HD3 ARG 22 HD1 ARG 22 38.323 7.949 14.247
159 HE ARG 22 HE ARG 22 40.261 9.314 12.681
160 HH11 ARG 22 HH21 ARG 22 39.704 7.971 15.828
161 HH12 ARG 22 HH22 ARG 22 41.377 7.632 16.128
162 HH21 ARG 22 HH11 ARG 22 42.454 8.880 13.079
163 HH22 ARG 22 HH12 ARG 22 42.931 8.147 14.574
164 H LEU 23 HN LEU 23 38.187 9.393 8.443
165 HA LEU 23 HA LEU 23 37.736 6.735 7.271
166 HB2 LEU 23 HB2 LEU 23 37.175 9.419 6.032
167 HB3 LEU 23 HB1 LEU 23 37.553 8.010 5.043
168 HG LEU 23 HG LEU 23 35.505 7.576 7.137
169 HD11 LEU 23 HD11 LEU 23 33.757 8.616 5.625
170 HD12 LEU 23 HD12 LEU 23 35.076 9.385 4.739
171 HD13 LEU 23 HD13 LEU 23 34.803 9.781 6.437
172 HD21 LEU 23 HD21 LEU 23 35.642 6.965 4.165
173 HD22 LEU 23 HD22 LEU 23 34.495 6.278 5.315
174 HD23 LEU 23 HD23 LEU 23 36.212 5.889 5.439
175 H SER 24 HN SER 24 39.502 5.926 6.323
176 HA SER 24 HA SER 24 42.018 7.310 6.560
177 HB2 SER 24 HB2 SER 24 43.009 5.271 6.090
178 HB3 SER 24 HB1 SER 24 41.467 4.752 6.766
179 HG SER 24 HG SER 24 41.160 3.814 4.915
180 H HIS 25 HN HIS 25 43.463 7.800 4.883
181 HA HIS 25 HA HIS 25 42.448 9.126 2.632
182 HB2 HIS 25 HB2 HIS 25 45.131 8.193 3.532
183 HB3 HIS 25 HB1 HIS 25 44.957 8.601 1.827
184 HD2 HIS 25 HD2 HIS 25 44.118 11.370 1.375
185 HE1 HIS 25 HE1 HIS 25 45.168 12.632 5.264
186 HE2 HIS 25 HE2 HIS 25 44.499 13.421 2.947
187 H GLU 26 HN GLU 26 43.342 5.830 3.188
188 HA GLU 26 HA GLU 26 43.487 4.937 0.489
189 HB2 GLU 26 HB2 GLU 26 43.008 3.484 3.095
190 HB3 GLU 26 HB1 GLU 26 43.148 2.655 1.543
191 HG2 GLU 26 HG2 GLU 26 45.378 3.614 1.209
192 HG3 GLU 26 HG1 GLU 26 45.240 4.512 2.719
193 H ALA 27 HN ALA 27 40.870 5.177 2.841
194 HA ALA 27 HA ALA 27 38.892 3.757 1.420
195 HB1 ALA 27 HB1 ALA 27 37.464 4.470 3.062
196 HB2 ALA 27 HB2 ALA 27 38.083 6.121 3.025
197 HB3 ALA 27 HB3 ALA 27 38.985 4.862 3.870
198 H LEU 28 HN LEU 28 40.076 7.014 1.272
199 HA LEU 28 HA LEU 28 38.013 8.115 -0.362
200 HB2 LEU 28 HB2 LEU 28 40.859 8.988 0.163
201 HB3 LEU 28 HB1 LEU 28 39.730 9.923 -0.811
202 HG LEU 28 HG LEU 28 39.215 9.058 2.053
203 HD11 LEU 28 HD11 LEU 28 40.753 11.269 0.945
204 HD12 LEU 28 HD12 LEU 28 40.612 10.734 2.618
205 HD13 LEU 28 HD13 LEU 28 39.416 11.841 1.942
206 HD21 LEU 28 HD21 LEU 28 37.605 11.211 1.541
207 HD22 LEU 28 HD22 LEU 28 37.086 9.533 1.377
208 HD23 LEU 28 HD23 LEU 28 37.625 10.432 -0.040
209 H ARG 29 HN ARG 29 41.131 6.640 -1.064
210 HA ARG 29 HA ARG 29 41.204 7.195 -3.813
211 HB2 ARG 29 HB2 ARG 29 43.153 6.423 -2.502
212 HB3 ARG 29 HB1 ARG 29 42.398 4.838 -2.339
213 HG2 ARG 29 HG2 ARG 29 42.409 4.577 -4.792
214 HG3 ARG 29 HG1 ARG 29 43.149 6.168 -4.962
215 HD2 ARG 29 HD2 ARG 29 44.370 3.856 -3.432
216 HD3 ARG 29 HD1 ARG 29 44.811 4.309 -5.076
217 HE ARG 29 HE ARG 29 45.582 5.675 -2.645
218 HH11 ARG 29 HH21 ARG 29 44.996 5.922 -6.046
219 HH12 ARG 29 HH22 ARG 29 46.103 7.235 -6.284
220 HH21 ARG 29 HH11 ARG 29 47.039 7.397 -2.948
221 HH22 ARG 29 HH12 ARG 29 47.258 8.068 -4.529
222 H GLN 30 HN GLN 30 39.767 4.467 -2.054
223 HA GLN 30 HA GLN 30 39.096 2.962 -4.381
224 HB2 GLN 30 HB2 GLN 30 37.997 2.954 -1.562
225 HB3 GLN 30 HB1 GLN 30 37.539 1.778 -2.796
226 HG2 GLN 30 HG2 GLN 30 39.867 1.059 -3.020
227 HG3 GLN 30 HG1 GLN 30 40.380 2.286 -1.863
228 HE21 GLN 30 HE21 GLN 30 41.186 0.051 -0.844
229 HE22 GLN 30 HE22 GLN 30 40.106 -0.664 0.250
230 H ILE 31 HN ILE 31 37.341 5.269 -2.362
231 HA ILE 31 HA ILE 31 34.850 5.006 -3.632
232 HB ILE 31 HB ILE 31 36.060 7.279 -2.060
233 HG12 ILE 31 HG12 ILE 31 33.928 5.265 -1.300
234 HG13 ILE 31 HG11 ILE 31 35.641 5.007 -0.978
235 HG21 ILE 31 HG21 ILE 31 33.442 6.983 -3.455
236 HG22 ILE 31 HG22 ILE 31 34.351 8.446 -3.074
237 HG23 ILE 31 HG23 ILE 31 33.400 7.647 -1.822
238 HD11 ILE 31 HD11 ILE 31 34.105 6.132 0.852
239 HD12 ILE 31 HD12 ILE 31 34.378 7.584 -0.111
240 HD13 ILE 31 HD13 ILE 31 35.744 6.724 0.591
241 H TYR 32 HN TYR 32 37.492 7.374 -4.314
242 HA TYR 32 HA TYR 32 36.004 8.808 -6.251
243 HB2 TYR 32 HB2 TYR 32 38.015 9.783 -5.359
244 HB3 TYR 32 HB1 TYR 32 38.988 8.434 -5.950
245 HD1 TYR 32 HD1 TYR 32 36.766 11.218 -7.068
246 HD2 TYR 32 HD2 TYR 32 39.825 8.405 -8.165
247 HE1 TYR 32 HE1 TYR 32 37.006 12.335 -9.270
248 HE2 TYR 32 HE2 TYR 32 40.067 9.525 -10.365
249 HH TYR 32 HH TYR 32 37.927 11.379 -11.722
250 H LEU 33 HN LEU 33 38.320 6.122 -6.608
251 HA LEU 33 HA LEU 33 38.157 5.950 -9.419
252 HB2 LEU 33 HB2 LEU 33 38.844 3.884 -7.326
253 HB3 LEU 33 HB1 LEU 33 38.990 3.588 -9.055
254 HG LEU 33 HG LEU 33 40.346 5.891 -7.615
255 HD11 LEU 33 HD11 LEU 33 41.680 3.361 -8.603
256 HD12 LEU 33 HD12 LEU 33 41.115 3.535 -6.943
257 HD13 LEU 33 HD13 LEU 33 42.358 4.617 -7.567
258 HD21 LEU 33 HD21 LEU 33 40.378 6.542 -9.835
259 HD22 LEU 33 HD22 LEU 33 40.276 4.888 -10.439
260 HD23 LEU 33 HD23 LEU 33 41.806 5.512 -9.828
261 H SER 34 HN SER 34 36.274 4.261 -6.879
262 HA SER 34 HA SER 34 34.832 2.568 -8.602
263 HB2 SER 34 HB2 SER 34 34.058 3.787 -5.946
264 HB3 SER 34 HB1 SER 34 33.092 2.577 -6.783
265 HG SER 34 HG SER 34 34.769 1.135 -6.604
266 H GLY 35 HN GLY 35 34.349 5.916 -7.664
267 HA2 GLY 35 HA2 GLY 35 31.777 6.221 -8.881
268 HA3 GLY 35 HA1 GLY 35 32.843 7.524 -8.359
269 H LEU 36 HN LEU 36 35.104 6.755 -9.886
270 HA LEU 36 HA LEU 36 34.659 8.148 -12.251
271 HB2 LEU 36 HB2 LEU 36 36.891 7.848 -11.250
272 HB3 LEU 36 HB1 LEU 36 36.836 6.130 -11.637
273 HG LEU 36 HG LEU 36 36.698 6.667 -14.045
274 HD11 LEU 36 HD11 LEU 36 36.494 9.437 -12.939
275 HD12 LEU 36 HD12 LEU 36 35.685 8.724 -14.337
276 HD13 LEU 36 HD13 LEU 36 37.375 9.221 -14.453
277 HD21 LEU 36 HD21 LEU 36 38.926 7.083 -12.319
278 HD22 LEU 36 HD22 LEU 36 38.995 8.321 -13.574
279 HD23 LEU 36 HD23 LEU 36 38.948 6.617 -14.021
280 H HIS 37 HN HIS 37 34.597 4.696 -11.552
281 HA HIS 37 HA HIS 37 34.201 3.904 -14.291
282 HB2 HIS 37 HB2 HIS 37 33.826 2.421 -11.676
283 HB3 HIS 37 HB1 HIS 37 33.649 1.686 -13.268
284 HD2 HIS 37 HD2 HIS 37 36.398 2.069 -10.746
285 HE1 HIS 37 HE1 HIS 37 38.385 1.915 -14.468
286 HE2 HIS 37 HE2 HIS 37 38.695 1.770 -11.953
287 H SER 38 HN SER 38 32.195 4.733 -11.552
288 HA SER 38 HA SER 38 29.734 3.678 -12.460
289 HB2 SER 38 HB2 SER 38 30.243 6.113 -10.734
290 HB3 SER 38 HB1 SER 38 28.696 5.298 -10.917
291 HG SER 38 HG SER 38 31.072 4.403 -9.697
292 H TRP 39 HN TRP 39 31.254 6.897 -12.985
293 HA TRP 39 HA TRP 39 29.070 7.907 -14.510
294 HB2 TRP 39 HB2 TRP 39 31.982 8.720 -14.333
295 HB3 TRP 39 HB1 TRP 39 30.769 9.609 -15.259
296 HD1 TRP 39 HD1 TRP 39 32.168 9.316 -11.850
297 HE1 TRP 39 HE1 TRP 39 30.715 10.613 -10.159
298 HE3 TRP 39 HE3 TRP 39 28.065 10.225 -14.740
299 HZ2 TRP 39 HZ2 TRP 39 28.143 11.875 -10.054
300 HZ3 TRP 39 HZ3 TRP 39 26.130 11.473 -13.826
301 HH2 TRP 39 HH2 TRP 39 26.163 12.300 -11.489
302 H LYS 40 HN LYS 40 31.985 6.099 -15.247
303 HA LYS 40 HA LYS 40 31.880 6.365 -18.083
304 HB2 LYS 40 HB2 LYS 40 33.893 5.684 -16.749
305 HB3 LYS 40 HB1 LYS 40 33.118 4.121 -16.474
306 HG2 LYS 40 HG2 LYS 40 33.005 3.724 -18.890
307 HG3 LYS 40 HG1 LYS 40 33.716 5.306 -19.202
308 HD2 LYS 40 HD2 LYS 40 35.751 4.619 -17.952
309 HD3 LYS 40 HD1 LYS 40 35.040 3.023 -17.712
310 HE2 LYS 40 HE2 LYS 40 34.964 2.660 -20.129
311 HE3 LYS 40 HE1 LYS 40 35.592 4.283 -20.416
312 HZ1 LYS 40 HZ1 LYS 40 37.598 3.367 -20.322
313 HZ2 LYS 40 HZ2 LYS 40 36.994 1.894 -19.730
314 HZ3 LYS 40 HZ3 LYS 40 37.354 3.159 -18.656
315 H LYS 41 HN LYS 41 30.960 5.080 -19.632
316 HA LYS 41 HA LYS 41 28.697 3.483 -18.869
317 HB2 LYS 41 HB2 LYS 41 30.025 3.955 -21.546
318 HB3 LYS 41 HB1 LYS 41 28.547 3.019 -21.333
319 HG2 LYS 41 HG2 LYS 41 27.470 4.997 -20.286
320 HG3 LYS 41 HG1 LYS 41 28.938 5.929 -20.579
321 HD2 LYS 41 HD2 LYS 41 28.711 5.530 -23.006
322 HD3 LYS 41 HD1 LYS 41 27.236 4.610 -22.714
323 HE2 LYS 41 HE2 LYS 41 26.179 6.602 -21.719
324 HE3 LYS 41 HE1 LYS 41 27.656 7.527 -21.993
325 HZ1 LYS 41 HZ1 LYS 41 27.101 6.416 -24.419
326 HZ2 LYS 41 HZ2 LYS 41 26.792 8.023 -23.962
327 HZ3 LYS 41 HZ3 LYS 41 25.571 6.848 -23.830
328 H LYS 42 HN LYS 42 28.451 1.275 -18.911
329 HA LYS 42 HA LYS 42 30.892 -0.283 -18.741
330 HB2 LYS 42 HB2 LYS 42 27.975 -1.073 -18.496
331 HB3 LYS 42 HB1 LYS 42 29.330 -2.175 -18.261
332 HG2 LYS 42 HG2 LYS 42 30.190 -0.712 -16.450
333 HG3 LYS 42 HG1 LYS 42 28.792 0.345 -16.667
334 HD2 LYS 42 HD2 LYS 42 27.279 -1.522 -16.119
335 HD3 LYS 42 HD1 LYS 42 28.667 -2.591 -15.918
336 HE2 LYS 42 HE2 LYS 42 29.505 -1.170 -14.086
337 HE3 LYS 42 HE1 LYS 42 28.121 -0.093 -14.283
338 HZ1 LYS 42 HZ1 LYS 42 27.730 -1.670 -12.510
339 HZ2 LYS 42 HZ2 LYS 42 28.007 -2.974 -13.563
340 HZ3 LYS 42 HZ3 LYS 42 26.658 -1.967 -13.793
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 50.379 -3.163 -4.210
2 H2 MET 1 HT2 MET 1 49.706 -2.166 -3.010
3 H3 MET 1 HT3 MET 1 48.735 -3.302 -3.820
4 HA MET 1 HA MET 1 49.185 -4.808 -2.284
5 HB2 MET 1 HB2 MET 1 52.059 -4.221 -3.058
6 HB3 MET 1 HB1 MET 1 51.564 -5.576 -2.049
7 HG2 MET 1 HG2 MET 1 50.602 -5.077 -4.880
8 HG3 MET 1 HG1 MET 1 51.849 -6.237 -4.431
9 HE1 MET 1 HE1 MET 1 51.672 -7.943 -2.848
10 HE2 MET 1 HE2 MET 1 50.280 -8.996 -2.617
11 HE3 MET 1 HE3 MET 1 50.493 -7.592 -1.576
12 H ALA 2 HN ALA 2 48.380 -2.834 -0.963
13 HA ALA 2 HA ALA 2 50.156 -1.360 0.654
14 HB1 ALA 2 HB1 ALA 2 47.879 -0.628 0.467
15 HB2 ALA 2 HB2 ALA 2 48.136 -1.085 2.150
16 HB3 ALA 2 HB3 ALA 2 47.270 -2.172 1.064
17 H GLU 3 HN GLU 3 48.572 -4.486 1.109
18 HA GLU 3 HA GLU 3 48.897 -6.163 2.651
19 HB2 GLU 3 HB2 GLU 3 51.657 -4.927 2.590
20 HB3 GLU 3 HB1 GLU 3 51.278 -6.461 3.375
21 HG2 GLU 3 HG2 GLU 3 50.501 -7.400 1.262
22 HG3 GLU 3 HG1 GLU 3 50.746 -5.852 0.453
23 H ALA 4 HN ALA 4 47.912 -3.562 3.609
24 HA ALA 4 HA ALA 4 49.120 -3.002 6.146
25 HB1 ALA 4 HB1 ALA 4 47.641 -1.285 6.252
26 HB2 ALA 4 HB2 ALA 4 46.275 -2.298 5.789
27 HB3 ALA 4 HB3 ALA 4 47.360 -1.661 4.552
28 H HIS 5 HN HIS 5 48.477 -3.632 8.187
29 HA HIS 5 HA HIS 5 46.684 -5.980 8.276
30 HB2 HIS 5 HB2 HIS 5 48.986 -5.172 10.063
31 HB3 HIS 5 HB1 HIS 5 47.903 -6.523 10.401
32 HD2 HIS 5 HD2 HIS 5 51.043 -5.788 8.283
33 HE1 HIS 5 HE1 HIS 5 49.560 -9.528 6.994
34 HE2 HIS 5 HE2 HIS 5 51.527 -7.926 6.859
35 H GLN 6 HN GLN 6 44.995 -6.047 9.691
36 HA GLN 6 HA GLN 6 43.225 -5.112 10.848
37 HB2 GLN 6 HB2 GLN 6 44.797 -5.713 12.667
38 HB3 GLN 6 HB1 GLN 6 45.509 -4.102 12.563
39 HG2 GLN 6 HG2 GLN 6 43.374 -3.074 13.150
40 HG3 GLN 6 HG1 GLN 6 42.583 -4.650 13.143
41 HE21 GLN 6 HE21 GLN 6 42.658 -2.932 15.475
42 HE22 GLN 6 HE22 GLN 6 43.568 -3.728 16.666
43 H ALA 7 HN ALA 7 42.536 -3.622 9.244
44 HA ALA 7 HA ALA 7 42.837 -0.845 10.090
45 HB1 ALA 7 HB1 ALA 7 43.049 -0.756 7.270
46 HB2 ALA 7 HB2 ALA 7 44.265 -1.902 7.837
47 HB3 ALA 7 HB3 ALA 7 44.248 -0.252 8.462
48 H VAL 8 HN VAL 8 41.158 0.482 9.443
49 HA VAL 8 HA VAL 8 38.914 -0.844 8.046
50 HB VAL 8 HB VAL 8 38.868 0.929 10.486
51 HG11 VAL 8 HG11 VAL 8 36.307 0.642 10.129
52 HG12 VAL 8 HG12 VAL 8 36.730 0.311 8.450
53 HG13 VAL 8 HG13 VAL 8 37.145 1.865 9.171
54 HG21 VAL 8 HG21 VAL 8 37.242 -1.546 10.160
55 HG22 VAL 8 HG22 VAL 8 38.090 -0.937 11.581
56 HG23 VAL 8 HG23 VAL 8 38.986 -1.766 10.308
57 H ALA 9 HN ALA 9 37.940 0.285 6.462
58 HA ALA 9 HA ALA 9 39.252 2.593 5.397
59 HB1 ALA 9 HB1 ALA 9 37.394 0.673 4.480
60 HB2 ALA 9 HB2 ALA 9 38.163 1.956 3.545
61 HB3 ALA 9 HB3 ALA 9 36.606 2.243 4.321
62 H PHE 10 HN PHE 10 36.271 2.032 7.219
63 HA PHE 10 HA PHE 10 36.226 4.892 7.822
64 HB2 PHE 10 HB2 PHE 10 33.580 4.579 7.510
65 HB3 PHE 10 HB1 PHE 10 34.644 5.184 6.251
66 HD1 PHE 10 HD1 PHE 10 34.590 1.595 7.329
67 HD2 PHE 10 HD2 PHE 10 33.319 4.467 4.393
68 HE1 PHE 10 HE1 PHE 10 33.971 -0.241 5.805
69 HE2 PHE 10 HE2 PHE 10 32.681 2.619 2.877
70 HZ PHE 10 HZ PHE 10 33.009 0.265 3.579
71 H GLN 11 HN GLN 11 35.480 5.480 9.782
72 HA GLN 11 HA GLN 11 34.281 3.379 11.494
73 HB2 GLN 11 HB2 GLN 11 36.535 5.248 12.233
74 HB3 GLN 11 HB1 GLN 11 35.623 4.305 13.405
75 HG2 GLN 11 HG2 GLN 11 36.284 2.229 12.227
76 HG3 GLN 11 HG1 GLN 11 37.224 3.189 11.086
77 HE21 GLN 11 HE21 GLN 11 39.405 3.084 11.623
78 HE22 GLN 11 HE22 GLN 11 40.023 3.099 13.204
79 H PHE 12 HN PHE 12 32.556 3.997 12.675
80 HA PHE 12 HA PHE 12 31.963 6.891 12.805
81 HB2 PHE 12 HB2 PHE 12 30.463 6.077 11.212
82 HB3 PHE 12 HB1 PHE 12 30.270 4.537 12.032
83 HD1 PHE 12 HD1 PHE 12 30.076 7.819 13.788
84 HD2 PHE 12 HD2 PHE 12 27.877 4.554 12.077
85 HE1 PHE 12 HE1 PHE 12 28.031 8.597 14.927
86 HE2 PHE 12 HE2 PHE 12 25.821 5.355 13.202
87 HZ PHE 12 HZ PHE 12 25.897 7.378 14.629
88 H THR 13 HN THR 13 31.821 7.588 14.867
89 HA THR 13 HA THR 13 30.917 5.681 16.953
90 HB THR 13 HB THR 13 32.501 7.277 18.391
91 HG1 THR 13 HG1 THR 13 33.026 7.981 15.939
92 HG21 THR 13 HG21 THR 13 34.321 5.546 17.970
93 HG22 THR 13 HG22 THR 13 33.253 4.857 16.747
94 HG23 THR 13 HG23 THR 13 32.746 4.902 18.436
95 H VAL 14 HN VAL 14 29.353 6.333 18.279
96 HA VAL 14 HA VAL 14 28.369 9.089 17.990
97 HB VAL 14 HB VAL 14 27.129 6.570 19.104
98 HG11 VAL 14 HG11 VAL 14 26.197 8.226 20.477
99 HG12 VAL 14 HG12 VAL 14 25.056 8.156 19.134
100 HG13 VAL 14 HG13 VAL 14 26.254 9.447 19.204
101 HG21 VAL 14 HG21 VAL 14 25.538 6.966 17.218
102 HG22 VAL 14 HG22 VAL 14 27.191 6.685 16.673
103 HG23 VAL 14 HG23 VAL 14 26.539 8.323 16.701
104 H THR 15 HN THR 15 28.698 10.579 19.567
105 HA THR 15 HA THR 15 29.334 9.576 22.277
106 HB THR 15 HB THR 15 30.651 11.799 22.431
107 HG1 THR 15 HG1 THR 15 31.391 12.501 20.401
108 HG21 THR 15 HG21 THR 15 32.483 10.549 20.843
109 HG22 THR 15 HG22 THR 15 31.361 9.226 21.159
110 HG23 THR 15 HG23 THR 15 32.132 10.069 22.503
111 HA PRO 16 HA PRO 16 25.890 11.915 23.779
112 HB2 PRO 16 HB2 PRO 16 27.709 13.352 25.647
113 HB3 PRO 16 HB1 PRO 16 26.241 12.423 25.996
114 HG2 PRO 16 HG2 PRO 16 28.750 11.522 26.496
115 HG3 PRO 16 HG1 PRO 16 27.361 10.471 26.184
116 HD2 PRO 16 HD2 PRO 16 29.695 11.006 24.471
117 HD3 PRO 16 HD1 PRO 16 28.511 9.684 24.391
118 H ASP 17 HN ASP 17 28.952 13.626 23.128
119 HA ASP 17 HA ASP 17 27.728 16.200 22.825
120 HB2 ASP 17 HB2 ASP 17 30.445 15.108 22.098
121 HB3 ASP 17 HB1 ASP 17 29.972 16.785 21.827
122 H GLY 18 HN GLY 18 28.098 13.439 20.669
123 HA2 GLY 18 HA2 GLY 18 26.476 14.382 18.700
124 HA3 GLY 18 HA1 GLY 18 28.038 15.074 18.280
125 H ILE 19 HN ILE 19 28.563 13.932 16.487
126 HA ILE 19 HA ILE 19 28.929 11.035 16.785
127 HB ILE 19 HB ILE 19 28.177 10.819 14.431
128 HG12 ILE 19 HG12 ILE 19 27.287 13.697 14.714
129 HG13 ILE 19 HG11 ILE 19 28.700 13.196 13.789
130 HG21 ILE 19 HG21 ILE 19 25.955 12.254 15.831
131 HG22 ILE 19 HG22 ILE 19 26.628 10.811 16.588
132 HG23 ILE 19 HG23 ILE 19 25.919 10.711 14.978
133 HD11 ILE 19 HD11 ILE 19 27.418 12.647 12.032
134 HD12 ILE 19 HD12 ILE 19 26.023 13.291 12.896
135 HD13 ILE 19 HD13 ILE 19 26.435 11.582 13.037
136 H ASP 20 HN ASP 20 30.657 10.225 15.652
137 HA ASP 20 HA ASP 20 32.519 12.186 14.445
138 HB2 ASP 20 HB2 ASP 20 33.150 9.901 16.322
139 HB3 ASP 20 HB1 ASP 20 34.371 10.756 15.382
140 H LEU 21 HN LEU 21 33.469 11.576 12.521
141 HA LEU 21 HA LEU 21 33.089 8.784 11.672
142 HB2 LEU 21 HB2 LEU 21 32.502 11.230 9.976
143 HB3 LEU 21 HB1 LEU 21 32.418 9.554 9.435
144 HG LEU 21 HG LEU 21 30.829 9.429 11.634
145 HD11 LEU 21 HD11 LEU 21 30.197 12.114 10.389
146 HD12 LEU 21 HD12 LEU 21 31.151 11.956 11.864
147 HD13 LEU 21 HD13 LEU 21 29.480 11.392 11.830
148 HD21 LEU 21 HD21 LEU 21 28.927 9.611 10.021
149 HD22 LEU 21 HD22 LEU 21 30.239 8.603 9.410
150 HD23 LEU 21 HD23 LEU 21 30.047 10.253 8.819
151 H ARG 22 HN ARG 22 35.004 8.002 11.229
152 HA ARG 22 HA ARG 22 37.112 9.819 10.195
153 HB2 ARG 22 HB2 ARG 22 37.352 7.375 11.948
154 HB3 ARG 22 HB1 ARG 22 38.728 8.179 11.200
155 HG2 ARG 22 HG2 ARG 22 38.170 10.263 12.344
156 HG3 ARG 22 HG1 ARG 22 36.730 9.522 13.042
157 HD2 ARG 22 HD2 ARG 22 38.185 7.856 14.187
158 HD3 ARG 22 HD1 ARG 22 39.600 8.691 13.548
159 HE ARG 22 HE ARG 22 38.034 10.597 14.868
160 HH11 ARG 22 HH21 ARG 22 39.829 7.719 15.549
161 HH12 ARG 22 HH22 ARG 22 40.195 8.171 17.179
162 HH21 ARG 22 HH11 ARG 22 38.507 11.191 17.003
163 HH22 ARG 22 HH12 ARG 22 39.446 10.133 18.002
164 H LEU 23 HN LEU 23 38.194 9.320 8.365
165 HA LEU 23 HA LEU 23 37.804 6.634 7.255
166 HB2 LEU 23 HB2 LEU 23 37.357 9.194 5.696
167 HB3 LEU 23 HB1 LEU 23 37.306 7.556 5.045
168 HG LEU 23 HG LEU 23 35.538 7.268 7.063
169 HD11 LEU 23 HD11 LEU 23 35.978 9.823 7.487
170 HD12 LEU 23 HD12 LEU 23 34.328 9.207 7.558
171 HD13 LEU 23 HD13 LEU 23 34.896 10.045 6.115
172 HD21 LEU 23 HD21 LEU 23 33.769 7.578 5.397
173 HD22 LEU 23 HD22 LEU 23 35.157 6.805 4.636
174 HD23 LEU 23 HD23 LEU 23 34.858 8.525 4.386
175 H SER 24 HN SER 24 39.575 5.858 6.314
176 HA SER 24 HA SER 24 42.045 7.316 6.541
177 HB2 SER 24 HB2 SER 24 42.999 5.248 5.452
178 HB3 SER 24 HB1 SER 24 42.131 4.967 6.959
179 HG SER 24 HG SER 24 40.701 4.910 4.561
180 H HIS 25 HN HIS 25 43.503 7.758 4.826
181 HA HIS 25 HA HIS 25 42.387 9.088 2.612
182 HB2 HIS 25 HB2 HIS 25 45.192 8.029 3.053
183 HB3 HIS 25 HB1 HIS 25 44.731 9.124 1.748
184 HD2 HIS 25 HD2 HIS 25 44.057 11.781 2.602
185 HE1 HIS 25 HE1 HIS 25 45.346 11.252 6.589
186 HE2 HIS 25 HE2 HIS 25 44.576 12.961 4.870
187 H GLU 26 HN GLU 26 43.350 5.814 3.147
188 HA GLU 26 HA GLU 26 43.477 4.954 0.432
189 HB2 GLU 26 HB2 GLU 26 44.447 3.658 2.325
190 HB3 GLU 26 HB1 GLU 26 42.814 3.305 2.889
191 HG2 GLU 26 HG2 GLU 26 42.309 2.193 0.741
192 HG3 GLU 26 HG1 GLU 26 43.939 2.551 0.173
193 H ALA 27 HN ALA 27 40.901 5.110 2.850
194 HA ALA 27 HA ALA 27 38.910 3.732 1.405
195 HB1 ALA 27 HB1 ALA 27 38.146 6.028 3.151
196 HB2 ALA 27 HB2 ALA 27 38.981 4.663 3.892
197 HB3 ALA 27 HB3 ALA 27 37.451 4.411 3.051
198 H LEU 28 HN LEU 28 40.058 7.005 1.331
199 HA LEU 28 HA LEU 28 37.961 8.104 -0.267
200 HB2 LEU 28 HB2 LEU 28 40.777 9.041 0.311
201 HB3 LEU 28 HB1 LEU 28 39.646 9.966 -0.676
202 HG LEU 28 HG LEU 28 39.090 9.050 2.168
203 HD11 LEU 28 HD11 LEU 28 40.595 11.319 1.130
204 HD12 LEU 28 HD12 LEU 28 40.426 10.753 2.793
205 HD13 LEU 28 HD13 LEU 28 39.218 11.836 2.102
206 HD21 LEU 28 HD21 LEU 28 36.964 9.484 1.462
207 HD22 LEU 28 HD22 LEU 28 37.506 10.412 0.066
208 HD23 LEU 28 HD23 LEU 28 37.439 11.171 1.655
209 H ARG 29 HN ARG 29 41.095 6.673 -0.989
210 HA ARG 29 HA ARG 29 41.165 7.260 -3.742
211 HB2 ARG 29 HB2 ARG 29 43.116 6.474 -2.430
212 HB3 ARG 29 HB1 ARG 29 42.362 4.888 -2.284
213 HG2 ARG 29 HG2 ARG 29 42.395 4.627 -4.729
214 HG3 ARG 29 HG1 ARG 29 43.107 6.234 -4.901
215 HD2 ARG 29 HD2 ARG 29 44.877 4.559 -5.011
216 HD3 ARG 29 HD1 ARG 29 45.042 5.484 -3.520
217 HE ARG 29 HE ARG 29 43.449 3.160 -3.079
218 HH11 ARG 29 HH21 ARG 29 46.681 4.278 -3.599
219 HH12 ARG 29 HH22 ARG 29 47.423 2.951 -2.770
220 HH21 ARG 29 HH11 ARG 29 44.416 1.416 -1.987
221 HH22 ARG 29 HH12 ARG 29 46.141 1.326 -1.864
222 H GLN 30 HN GLN 30 39.731 4.539 -1.974
223 HA GLN 30 HA GLN 30 39.038 3.037 -4.294
224 HB2 GLN 30 HB2 GLN 30 37.985 2.993 -1.462
225 HB3 GLN 30 HB1 GLN 30 37.493 1.843 -2.706
226 HG2 GLN 30 HG2 GLN 30 39.858 1.175 -3.008
227 HG3 GLN 30 HG1 GLN 30 40.330 2.302 -1.738
228 HE21 GLN 30 HE21 GLN 30 41.067 -0.180 -1.076
229 HE22 GLN 30 HE22 GLN 30 39.984 -0.922 0.001
230 H ILE 31 HN ILE 31 37.283 5.342 -2.248
231 HA ILE 31 HA ILE 31 34.790 5.071 -3.516
232 HB ILE 31 HB ILE 31 36.013 7.345 -1.956
233 HG12 ILE 31 HG12 ILE 31 33.760 5.463 -1.227
234 HG13 ILE 31 HG11 ILE 31 35.449 5.103 -0.863
235 HG21 ILE 31 HG21 ILE 31 33.370 7.107 -3.351
236 HG22 ILE 31 HG22 ILE 31 34.409 8.518 -3.156
237 HG23 ILE 31 HG23 ILE 31 33.442 7.939 -1.798
238 HD11 ILE 31 HD11 ILE 31 35.535 6.633 0.819
239 HD12 ILE 31 HD12 ILE 31 33.775 6.522 0.784
240 HD13 ILE 31 HD13 ILE 31 34.595 7.818 -0.087
241 H TYR 32 HN TYR 32 37.425 7.428 -4.199
242 HA TYR 32 HA TYR 32 35.972 8.846 -6.168
243 HB2 TYR 32 HB2 TYR 32 37.996 9.758 -5.202
244 HB3 TYR 32 HB1 TYR 32 38.947 8.420 -5.850
245 HD1 TYR 32 HD1 TYR 32 36.787 11.293 -6.826
246 HD2 TYR 32 HD2 TYR 32 39.753 8.449 -8.067
247 HE1 TYR 32 HE1 TYR 32 37.053 12.509 -8.969
248 HE2 TYR 32 HE2 TYR 32 40.022 9.663 -10.211
249 HH TYR 32 HH TYR 32 38.193 11.378 -11.590
250 H LEU 33 HN LEU 33 38.319 6.186 -6.488
251 HA LEU 33 HA LEU 33 38.157 5.974 -9.292
252 HB2 LEU 33 HB2 LEU 33 38.907 3.989 -7.146
253 HB3 LEU 33 HB1 LEU 33 39.025 3.617 -8.863
254 HG LEU 33 HG LEU 33 40.327 6.055 -7.612
255 HD11 LEU 33 HD11 LEU 33 41.183 3.908 -6.622
256 HD12 LEU 33 HD12 LEU 33 42.403 4.820 -7.511
257 HD13 LEU 33 HD13 LEU 33 41.650 3.405 -8.247
258 HD21 LEU 33 HD21 LEU 33 40.315 4.769 -10.317
259 HD22 LEU 33 HD22 LEU 33 41.830 5.467 -9.757
260 HD23 LEU 33 HD23 LEU 33 40.390 6.475 -9.883
261 H SER 34 HN SER 34 36.304 4.345 -6.712
262 HA SER 34 HA SER 34 34.855 2.589 -8.370
263 HB2 SER 34 HB2 SER 34 34.924 2.408 -5.903
264 HB3 SER 34 HB1 SER 34 33.988 3.895 -5.777
265 HG SER 34 HG SER 34 33.164 1.555 -7.167
266 H GLY 35 HN GLY 35 34.361 5.942 -7.450
267 HA2 GLY 35 HA2 GLY 35 31.778 6.221 -8.654
268 HA3 GLY 35 HA1 GLY 35 32.834 7.535 -8.137
269 H LEU 36 HN LEU 36 35.097 6.714 -9.663
270 HA LEU 36 HA LEU 36 34.648 8.120 -12.035
271 HB2 LEU 36 HB2 LEU 36 36.869 7.808 -10.930
272 HB3 LEU 36 HB1 LEU 36 36.864 6.136 -11.484
273 HG LEU 36 HG LEU 36 36.703 6.934 -13.835
274 HD11 LEU 36 HD11 LEU 36 35.728 9.036 -13.882
275 HD12 LEU 36 HD12 LEU 36 37.426 9.497 -13.971
276 HD13 LEU 36 HD13 LEU 36 36.572 9.576 -12.430
277 HD21 LEU 36 HD21 LEU 36 38.993 7.492 -14.036
278 HD22 LEU 36 HD22 LEU 36 38.913 6.594 -12.521
279 HD23 LEU 36 HD23 LEU 36 39.006 8.354 -12.498
280 H HIS 37 HN HIS 37 34.638 4.664 -11.339
281 HA HIS 37 HA HIS 37 34.304 3.865 -14.089
282 HB2 HIS 37 HB2 HIS 37 33.886 2.372 -11.488
283 HB3 HIS 37 HB1 HIS 37 33.768 1.638 -13.087
284 HD2 HIS 37 HD2 HIS 37 36.438 2.174 -10.471
285 HE1 HIS 37 HE1 HIS 37 38.531 1.823 -14.121
286 HE2 HIS 37 HE2 HIS 37 38.772 1.831 -11.593
287 H SER 38 HN SER 38 32.269 4.678 -11.382
288 HA SER 38 HA SER 38 29.817 3.606 -12.308
289 HB2 SER 38 HB2 SER 38 30.294 6.044 -10.571
290 HB3 SER 38 HB1 SER 38 28.761 5.202 -10.752
291 HG SER 38 HG SER 38 30.685 3.438 -10.170
292 H TRP 39 HN TRP 39 31.355 6.814 -12.768
293 HA TRP 39 HA TRP 39 29.213 7.895 -14.290
294 HB2 TRP 39 HB2 TRP 39 30.709 9.431 -13.274
295 HB3 TRP 39 HB1 TRP 39 32.120 8.634 -13.964
296 HD1 TRP 39 HD1 TRP 39 28.969 10.524 -15.185
297 HE1 TRP 39 HE1 TRP 39 29.593 11.827 -17.316
298 HE3 TRP 39 HE3 TRP 39 33.802 8.984 -15.774
299 HZ2 TRP 39 HZ2 TRP 39 31.847 12.174 -19.044
300 HZ3 TRP 39 HZ3 TRP 39 35.164 9.818 -17.668
301 HH2 TRP 39 HH2 TRP 39 34.192 11.409 -19.304
302 H LYS 40 HN LYS 40 32.127 6.079 -15.107
303 HA LYS 40 HA LYS 40 31.093 5.802 -17.857
304 HB2 LYS 40 HB2 LYS 40 32.868 7.519 -17.831
305 HB3 LYS 40 HB1 LYS 40 33.975 6.346 -17.123
306 HG2 LYS 40 HG2 LYS 40 33.745 4.906 -19.100
307 HG3 LYS 40 HG1 LYS 40 32.586 6.039 -19.802
308 HD2 LYS 40 HD2 LYS 40 34.310 7.810 -19.783
309 HD3 LYS 40 HD1 LYS 40 35.467 6.668 -19.103
310 HE2 LYS 40 HE2 LYS 40 35.259 5.246 -21.099
311 HE3 LYS 40 HE1 LYS 40 34.076 6.366 -21.778
312 HZ1 LYS 40 HZ1 LYS 40 36.177 6.898 -22.706
313 HZ2 LYS 40 HZ2 LYS 40 36.931 6.905 -21.184
314 HZ3 LYS 40 HZ3 LYS 40 35.813 8.119 -21.586
315 H LYS 41 HN LYS 41 31.130 3.781 -18.618
316 HA LYS 41 HA LYS 41 31.960 1.634 -16.900
317 HB2 LYS 41 HB2 LYS 41 29.991 1.749 -18.640
318 HB3 LYS 41 HB1 LYS 41 31.230 1.240 -19.786
319 HG2 LYS 41 HG2 LYS 41 31.718 -0.738 -18.452
320 HG3 LYS 41 HG1 LYS 41 30.606 -0.205 -17.191
321 HD2 LYS 41 HD2 LYS 41 28.728 -0.335 -18.780
322 HD3 LYS 41 HD1 LYS 41 29.833 -0.882 -20.043
323 HE2 LYS 41 HE2 LYS 41 30.405 -2.864 -18.694
324 HE3 LYS 41 HE1 LYS 41 29.318 -2.314 -17.419
325 HZ1 LYS 41 HZ1 LYS 41 27.930 -2.302 -19.854
326 HZ2 LYS 41 HZ2 LYS 41 27.636 -3.250 -18.475
327 HZ3 LYS 41 HZ3 LYS 41 28.687 -3.811 -19.687
328 H LYS 42 HN LYS 42 33.809 0.537 -16.905
329 HA LYS 42 HA LYS 42 35.489 0.172 -19.164
330 HB2 LYS 42 HB2 LYS 42 35.981 2.572 -18.743
331 HB3 LYS 42 HB1 LYS 42 36.488 2.160 -17.105
332 HG2 LYS 42 HG2 LYS 42 38.261 0.708 -17.991
333 HG3 LYS 42 HG1 LYS 42 37.732 1.049 -19.639
334 HD2 LYS 42 HD2 LYS 42 38.229 3.449 -19.299
335 HD3 LYS 42 HD1 LYS 42 38.778 3.097 -17.660
336 HE2 LYS 42 HE2 LYS 42 40.557 1.667 -18.518
337 HE3 LYS 42 HE1 LYS 42 39.975 1.886 -20.167
338 HZ1 LYS 42 HZ1 LYS 42 40.327 4.341 -19.759
339 HZ2 LYS 42 HZ2 LYS 42 41.730 3.394 -19.916
340 HZ3 LYS 42 HZ3 LYS 42 41.205 3.898 -18.379
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 49.228 6.603 18.472
2 H2 MET 1 HT2 MET 1 47.844 7.011 19.371
3 H3 MET 1 HT3 MET 1 48.026 7.580 17.783
4 HA MET 1 HA MET 1 46.618 5.392 18.482
5 HB2 MET 1 HB2 MET 1 48.027 6.085 15.888
6 HB3 MET 1 HB1 MET 1 46.759 4.869 16.020
7 HG2 MET 1 HG2 MET 1 46.437 7.779 16.807
8 HG3 MET 1 HG1 MET 1 45.894 7.097 15.277
9 HE1 MET 1 HE1 MET 1 42.987 5.030 15.844
10 HE2 MET 1 HE2 MET 1 44.431 4.108 16.247
11 HE3 MET 1 HE3 MET 1 44.488 5.301 14.951
12 H ALA 2 HN ALA 2 46.906 3.207 18.611
13 HA ALA 2 HA ALA 2 49.454 2.201 19.297
14 HB1 ALA 2 HB1 ALA 2 47.197 1.271 19.996
15 HB2 ALA 2 HB2 ALA 2 48.395 0.073 19.503
16 HB3 ALA 2 HB3 ALA 2 47.100 0.535 18.398
17 H GLU 3 HN GLU 3 47.583 2.040 16.285
18 HA GLU 3 HA GLU 3 49.961 0.865 14.962
19 HB2 GLU 3 HB2 GLU 3 47.024 0.606 14.274
20 HB3 GLU 3 HB1 GLU 3 48.339 0.048 13.238
21 HG2 GLU 3 HG2 GLU 3 49.122 -1.483 14.942
22 HG3 GLU 3 HG1 GLU 3 47.964 -0.844 16.109
23 H ALA 4 HN ALA 4 50.852 1.941 13.280
24 HA ALA 4 HA ALA 4 50.229 4.664 12.854
25 HB1 ALA 4 HB1 ALA 4 51.671 4.196 10.693
26 HB2 ALA 4 HB2 ALA 4 51.995 2.660 11.499
27 HB3 ALA 4 HB3 ALA 4 52.425 4.180 12.286
28 H HIS 5 HN HIS 5 49.354 1.711 11.137
29 HA HIS 5 HA HIS 5 47.772 3.280 9.214
30 HB2 HIS 5 HB2 HIS 5 48.502 0.342 9.245
31 HB3 HIS 5 HB1 HIS 5 47.594 1.159 7.970
32 HD2 HIS 5 HD2 HIS 5 51.276 0.710 9.115
33 HE1 HIS 5 HE1 HIS 5 51.297 3.513 5.959
34 HE2 HIS 5 HE2 HIS 5 52.762 2.095 7.472
35 H GLN 6 HN GLN 6 45.608 3.344 9.303
36 HA GLN 6 HA GLN 6 44.226 2.284 11.555
37 HB2 GLN 6 HB2 GLN 6 43.210 3.530 8.991
38 HB3 GLN 6 HB1 GLN 6 42.181 3.095 10.354
39 HG2 GLN 6 HG2 GLN 6 43.481 4.574 11.827
40 HG3 GLN 6 HG1 GLN 6 44.536 4.999 10.482
41 HE21 GLN 6 HE21 GLN 6 43.988 7.113 9.895
42 HE22 GLN 6 HE22 GLN 6 42.400 7.669 9.664
43 H ALA 7 HN ALA 7 43.204 0.425 11.832
44 HA ALA 7 HA ALA 7 43.405 -1.637 9.829
45 HB1 ALA 7 HB1 ALA 7 41.749 -2.537 11.901
46 HB2 ALA 7 HB2 ALA 7 42.912 -1.461 12.674
47 HB3 ALA 7 HB3 ALA 7 43.480 -2.835 11.722
48 H VAL 8 HN VAL 8 41.187 0.813 10.463
49 HA VAL 8 HA VAL 8 39.067 -0.675 9.041
50 HB VAL 8 HB VAL 8 38.831 1.240 11.354
51 HG11 VAL 8 HG11 VAL 8 37.070 2.011 10.036
52 HG12 VAL 8 HG12 VAL 8 36.292 0.679 10.893
53 HG13 VAL 8 HG13 VAL 8 36.855 0.455 9.237
54 HG21 VAL 8 HG21 VAL 8 39.184 -1.365 11.485
55 HG22 VAL 8 HG22 VAL 8 37.489 -1.429 11.009
56 HG23 VAL 8 HG23 VAL 8 37.955 -0.607 12.498
57 H ALA 9 HN ALA 9 38.220 0.213 7.315
58 HA ALA 9 HA ALA 9 39.449 2.504 6.132
59 HB1 ALA 9 HB1 ALA 9 37.098 1.950 4.723
60 HB2 ALA 9 HB2 ALA 9 37.633 0.391 5.344
61 HB3 ALA 9 HB3 ALA 9 38.720 1.362 4.347
62 H PHE 10 HN PHE 10 36.259 1.855 7.570
63 HA PHE 10 HA PHE 10 35.888 4.761 7.827
64 HB2 PHE 10 HB2 PHE 10 34.515 4.201 5.972
65 HB3 PHE 10 HB1 PHE 10 33.941 2.733 6.746
66 HD1 PHE 10 HD1 PHE 10 34.202 5.989 8.570
67 HD2 PHE 10 HD2 PHE 10 31.606 3.245 6.512
68 HE1 PHE 10 HE1 PHE 10 32.240 7.179 9.457
69 HE2 PHE 10 HE2 PHE 10 29.637 4.457 7.403
70 HZ PHE 10 HZ PHE 10 29.955 6.422 8.876
71 H GLN 11 HN GLN 11 35.349 5.362 9.850
72 HA GLN 11 HA GLN 11 34.114 3.349 11.647
73 HB2 GLN 11 HB2 GLN 11 36.540 3.584 12.124
74 HB3 GLN 11 HB1 GLN 11 36.276 5.295 12.437
75 HG2 GLN 11 HG2 GLN 11 34.672 4.719 14.229
76 HG3 GLN 11 HG1 GLN 11 34.971 3.008 13.928
77 HE21 GLN 11 HE21 GLN 11 35.523 4.378 16.433
78 HE22 GLN 11 HE22 GLN 11 37.199 4.301 16.689
79 H PHE 12 HN PHE 12 32.462 4.026 12.859
80 HA PHE 12 HA PHE 12 31.912 6.927 12.956
81 HB2 PHE 12 HB2 PHE 12 30.434 6.160 11.336
82 HB3 PHE 12 HB1 PHE 12 30.198 4.615 12.128
83 HD1 PHE 12 HD1 PHE 12 30.018 7.882 13.913
84 HD2 PHE 12 HD2 PHE 12 27.821 4.657 12.118
85 HE1 PHE 12 HE1 PHE 12 27.940 8.681 14.992
86 HE2 PHE 12 HE2 PHE 12 25.742 5.482 13.180
87 HZ PHE 12 HZ PHE 12 25.804 7.499 14.615
88 H THR 13 HN THR 13 31.753 7.609 15.033
89 HA THR 13 HA THR 13 30.733 5.687 17.051
90 HB THR 13 HB THR 13 32.684 7.712 17.947
91 HG1 THR 13 HG1 THR 13 34.022 7.042 16.443
92 HG21 THR 13 HG21 THR 13 31.435 5.882 19.288
93 HG22 THR 13 HG22 THR 13 33.168 6.069 19.562
94 HG23 THR 13 HG23 THR 13 32.573 4.765 18.538
95 H VAL 14 HN VAL 14 29.205 6.363 18.354
96 HA VAL 14 HA VAL 14 28.323 9.156 18.131
97 HB VAL 14 HB VAL 14 26.951 6.643 19.098
98 HG11 VAL 14 HG11 VAL 14 26.331 9.518 19.572
99 HG12 VAL 14 HG12 VAL 14 25.929 8.104 20.547
100 HG13 VAL 14 HG13 VAL 14 24.982 8.487 19.107
101 HG21 VAL 14 HG21 VAL 14 27.063 6.946 16.682
102 HG22 VAL 14 HG22 VAL 14 26.460 8.597 16.827
103 HG23 VAL 14 HG23 VAL 14 25.409 7.238 17.220
104 H THR 15 HN THR 15 28.658 10.589 19.741
105 HA THR 15 HA THR 15 29.251 9.499 22.421
106 HB THR 15 HB THR 15 31.286 10.437 22.254
107 HG1 THR 15 HG1 THR 15 29.904 12.195 23.187
108 HG21 THR 15 HG21 THR 15 30.252 11.855 19.780
109 HG22 THR 15 HG22 THR 15 31.124 10.320 19.813
110 HG23 THR 15 HG23 THR 15 31.939 11.808 20.291
111 HA PRO 16 HA PRO 16 26.013 11.988 24.124
112 HB2 PRO 16 HB2 PRO 16 28.069 13.348 25.815
113 HB3 PRO 16 HB1 PRO 16 26.559 12.558 26.301
114 HG2 PRO 16 HG2 PRO 16 28.979 11.437 26.665
115 HG3 PRO 16 HG1 PRO 16 27.511 10.492 26.379
116 HD2 PRO 16 HD2 PRO 16 29.810 10.939 24.580
117 HD3 PRO 16 HD1 PRO 16 28.574 9.661 24.557
118 H ASP 17 HN ASP 17 29.084 13.691 23.393
119 HA ASP 17 HA ASP 17 27.846 16.246 23.077
120 HB2 ASP 17 HB2 ASP 17 30.540 15.165 22.260
121 HB3 ASP 17 HB1 ASP 17 30.064 16.855 22.109
122 H GLY 18 HN GLY 18 28.145 13.479 20.904
123 HA2 GLY 18 HA2 GLY 18 26.510 14.435 18.961
124 HA3 GLY 18 HA1 GLY 18 28.058 15.143 18.523
125 H ILE 19 HN ILE 19 28.625 14.011 16.726
126 HA ILE 19 HA ILE 19 28.994 11.115 17.006
127 HB ILE 19 HB ILE 19 28.275 10.903 14.640
128 HG12 ILE 19 HG12 ILE 19 27.199 13.712 14.940
129 HG13 ILE 19 HG11 ILE 19 28.703 13.354 14.097
130 HG21 ILE 19 HG21 ILE 19 26.186 10.436 15.384
131 HG22 ILE 19 HG22 ILE 19 25.865 12.133 15.728
132 HG23 ILE 19 HG23 ILE 19 26.690 11.136 16.924
133 HD11 ILE 19 HD11 ILE 19 26.090 13.259 13.032
134 HD12 ILE 19 HD12 ILE 19 26.621 11.585 13.162
135 HD13 ILE 19 HD13 ILE 19 27.583 12.745 12.247
136 H ASP 20 HN ASP 20 30.682 10.299 15.807
137 HA ASP 20 HA ASP 20 32.577 12.250 14.623
138 HB2 ASP 20 HB2 ASP 20 33.263 11.515 16.928
139 HB3 ASP 20 HB1 ASP 20 33.353 9.870 16.315
140 H LEU 21 HN LEU 21 33.570 11.585 12.744
141 HA LEU 21 HA LEU 21 33.169 8.792 11.928
142 HB2 LEU 21 HB2 LEU 21 32.546 11.229 10.232
143 HB3 LEU 21 HB1 LEU 21 32.564 9.568 9.647
144 HG LEU 21 HG LEU 21 30.871 9.201 11.675
145 HD11 LEU 21 HD11 LEU 21 29.688 11.053 12.383
146 HD12 LEU 21 HD12 LEU 21 29.957 11.929 10.878
147 HD13 LEU 21 HD13 LEU 21 31.237 11.833 12.081
148 HD21 LEU 21 HD21 LEU 21 30.345 8.757 9.323
149 HD22 LEU 21 HD22 LEU 21 30.159 10.484 9.014
150 HD23 LEU 21 HD23 LEU 21 29.013 9.644 10.063
151 H ARG 22 HN ARG 22 35.000 7.946 11.276
152 HA ARG 22 HA ARG 22 37.159 9.737 10.295
153 HB2 ARG 22 HB2 ARG 22 37.678 8.810 12.510
154 HB3 ARG 22 HB1 ARG 22 37.480 7.181 11.871
155 HG2 ARG 22 HG2 ARG 22 39.332 7.533 10.306
156 HG3 ARG 22 HG1 ARG 22 39.499 9.202 10.855
157 HD2 ARG 22 HD2 ARG 22 39.784 6.772 12.638
158 HD3 ARG 22 HD1 ARG 22 41.137 7.655 11.930
159 HE ARG 22 HE ARG 22 39.572 9.536 13.261
160 HH11 ARG 22 HH21 ARG 22 41.318 6.650 13.952
161 HH12 ARG 22 HH22 ARG 22 41.756 7.125 15.560
162 HH21 ARG 22 HH11 ARG 22 40.145 10.187 15.372
163 HH22 ARG 22 HH12 ARG 22 41.102 9.135 16.360
164 H LEU 23 HN LEU 23 38.176 9.257 8.436
165 HA LEU 23 HA LEU 23 37.708 6.608 7.270
166 HB2 LEU 23 HB2 LEU 23 37.262 9.230 5.805
167 HB3 LEU 23 HB1 LEU 23 37.218 7.623 5.076
168 HG LEU 23 HG LEU 23 35.451 7.211 7.051
169 HD11 LEU 23 HD11 LEU 23 34.876 10.080 6.320
170 HD12 LEU 23 HD12 LEU 23 35.847 9.686 7.734
171 HD13 LEU 23 HD13 LEU 23 34.183 9.121 7.627
172 HD21 LEU 23 HD21 LEU 23 35.098 8.381 4.301
173 HD22 LEU 23 HD22 LEU 23 33.684 8.114 5.322
174 HD23 LEU 23 HD23 LEU 23 34.717 6.756 4.870
175 H SER 24 HN SER 24 39.485 5.812 6.294
176 HA SER 24 HA SER 24 41.974 7.247 6.514
177 HB2 SER 24 HB2 SER 24 41.230 4.519 5.484
178 HB3 SER 24 HB1 SER 24 42.857 5.160 5.279
179 HG SER 24 HG SER 24 42.453 3.918 7.251
180 H HIS 25 HN HIS 25 43.395 7.801 4.836
181 HA HIS 25 HA HIS 25 42.325 9.181 2.661
182 HB2 HIS 25 HB2 HIS 25 45.032 8.298 3.488
183 HB3 HIS 25 HB1 HIS 25 44.833 8.702 1.779
184 HD2 HIS 25 HD2 HIS 25 45.337 10.531 5.104
185 HE1 HIS 25 HE1 HIS 25 43.911 13.416 2.376
186 HE2 HIS 25 HE2 HIS 25 44.991 13.078 4.648
187 H GLU 26 HN GLU 26 43.217 5.862 3.026
188 HA GLU 26 HA GLU 26 43.262 5.154 0.258
189 HB2 GLU 26 HB2 GLU 26 44.262 3.734 2.045
190 HB3 GLU 26 HB1 GLU 26 42.635 3.376 2.624
191 HG2 GLU 26 HG2 GLU 26 42.042 2.366 0.491
192 HG3 GLU 26 HG1 GLU 26 43.603 2.820 -0.193
193 H ALA 27 HN ALA 27 40.778 5.257 2.749
194 HA ALA 27 HA ALA 27 38.716 3.931 1.392
195 HB1 ALA 27 HB1 ALA 27 38.999 5.375 3.798
196 HB2 ALA 27 HB2 ALA 27 37.611 4.420 3.278
197 HB3 ALA 27 HB3 ALA 27 37.680 6.145 2.915
198 H LEU 28 HN LEU 28 39.892 7.192 1.255
199 HA LEU 28 HA LEU 28 37.833 8.292 -0.399
200 HB2 LEU 28 HB2 LEU 28 40.601 9.131 0.388
201 HB3 LEU 28 HB1 LEU 28 39.779 9.974 -0.922
202 HG LEU 28 HG LEU 28 37.846 10.393 0.597
203 HD11 LEU 28 HD11 LEU 28 39.668 9.014 2.585
204 HD12 LEU 28 HD12 LEU 28 38.011 8.579 2.157
205 HD13 LEU 28 HD13 LEU 28 38.328 10.050 3.075
206 HD21 LEU 28 HD21 LEU 28 39.443 12.161 0.413
207 HD22 LEU 28 HD22 LEU 28 40.600 11.319 1.448
208 HD23 LEU 28 HD23 LEU 28 39.116 11.983 2.134
209 H ARG 29 HN ARG 29 40.961 6.813 -1.015
210 HA ARG 29 HA ARG 29 41.092 7.340 -3.776
211 HB2 ARG 29 HB2 ARG 29 42.352 5.200 -2.067
212 HB3 ARG 29 HB1 ARG 29 42.699 5.381 -3.789
213 HG2 ARG 29 HG2 ARG 29 43.412 7.708 -3.407
214 HG3 ARG 29 HG1 ARG 29 43.063 7.535 -1.688
215 HD2 ARG 29 HD2 ARG 29 44.734 5.741 -1.516
216 HD3 ARG 29 HD1 ARG 29 45.073 5.878 -3.239
217 HE ARG 29 HE ARG 29 45.901 7.733 -1.145
218 HH11 ARG 29 HH21 ARG 29 45.466 7.098 -4.528
219 HH12 ARG 29 HH22 ARG 29 46.671 8.239 -5.027
220 HH21 ARG 29 HH11 ARG 29 47.477 9.207 -1.796
221 HH22 ARG 29 HH12 ARG 29 47.805 9.433 -3.482
222 H GLN 30 HN GLN 30 39.637 4.593 -2.030
223 HA GLN 30 HA GLN 30 39.124 3.078 -4.402
224 HB2 GLN 30 HB2 GLN 30 37.825 2.977 -1.667
225 HB3 GLN 30 HB1 GLN 30 37.527 1.812 -2.954
226 HG2 GLN 30 HG2 GLN 30 39.885 1.176 -2.974
227 HG3 GLN 30 HG1 GLN 30 40.251 2.405 -1.767
228 HE21 GLN 30 HE21 GLN 30 39.532 -0.888 -2.101
229 HE22 GLN 30 HE22 GLN 30 39.024 -1.190 -0.510
230 H ILE 31 HN ILE 31 37.283 5.347 -2.442
231 HA ILE 31 HA ILE 31 34.837 5.087 -3.781
232 HB ILE 31 HB ILE 31 36.046 7.348 -2.198
233 HG12 ILE 31 HG12 ILE 31 35.251 4.989 -1.275
234 HG13 ILE 31 HG11 ILE 31 34.890 6.469 -0.388
235 HG21 ILE 31 HG21 ILE 31 33.573 8.115 -2.128
236 HG22 ILE 31 HG22 ILE 31 33.372 7.121 -3.571
237 HG23 ILE 31 HG23 ILE 31 34.504 8.474 -3.580
238 HD11 ILE 31 HD11 ILE 31 32.944 4.801 -0.803
239 HD12 ILE 31 HD12 ILE 31 32.970 5.396 -2.459
240 HD13 ILE 31 HD13 ILE 31 32.647 6.508 -1.130
241 H TYR 32 HN TYR 32 37.493 7.441 -4.396
242 HA TYR 32 HA TYR 32 36.125 8.861 -6.409
243 HB2 TYR 32 HB2 TYR 32 38.130 9.767 -5.401
244 HB3 TYR 32 HB1 TYR 32 39.088 8.405 -5.988
245 HD1 TYR 32 HD1 TYR 32 36.904 11.204 -7.168
246 HD2 TYR 32 HD2 TYR 32 40.090 8.483 -8.119
247 HE1 TYR 32 HE1 TYR 32 37.249 12.364 -9.328
248 HE2 TYR 32 HE2 TYR 32 40.434 9.646 -10.282
249 HH TYR 32 HH TYR 32 38.423 12.452 -11.196
250 H LEU 33 HN LEU 33 38.401 6.134 -6.647
251 HA LEU 33 HA LEU 33 38.291 5.926 -9.460
252 HB2 LEU 33 HB2 LEU 33 38.972 3.918 -7.309
253 HB3 LEU 33 HB1 LEU 33 39.126 3.564 -9.029
254 HG LEU 33 HG LEU 33 40.444 5.927 -7.658
255 HD11 LEU 33 HD11 LEU 33 42.507 4.701 -7.682
256 HD12 LEU 33 HD12 LEU 33 41.769 3.360 -8.560
257 HD13 LEU 33 HD13 LEU 33 41.307 3.679 -6.889
258 HD21 LEU 33 HD21 LEU 33 40.198 4.996 -10.443
259 HD22 LEU 33 HD22 LEU 33 41.854 5.343 -9.946
260 HD23 LEU 33 HD23 LEU 33 40.617 6.589 -9.820
261 H SER 34 HN SER 34 36.384 4.307 -6.919
262 HA SER 34 HA SER 34 34.953 2.570 -8.612
263 HB2 SER 34 HB2 SER 34 33.279 2.530 -6.798
264 HB3 SER 34 HB1 SER 34 34.918 2.360 -6.172
265 HG SER 34 HG SER 34 34.804 4.745 -5.945
266 H GLY 35 HN GLY 35 34.507 5.936 -7.762
267 HA2 GLY 35 HA2 GLY 35 31.931 6.223 -8.973
268 HA3 GLY 35 HA1 GLY 35 33.001 7.536 -8.476
269 H LEU 36 HN LEU 36 35.260 6.665 -10.009
270 HA LEU 36 HA LEU 36 34.818 8.035 -12.400
271 HB2 LEU 36 HB2 LEU 36 37.050 7.675 -11.340
272 HB3 LEU 36 HB1 LEU 36 36.967 5.986 -11.829
273 HG LEU 36 HG LEU 36 36.820 6.680 -14.203
274 HD11 LEU 36 HD11 LEU 36 37.628 9.246 -14.395
275 HD12 LEU 36 HD12 LEU 36 36.672 9.362 -12.919
276 HD13 LEU 36 HD13 LEU 36 35.925 8.791 -14.408
277 HD21 LEU 36 HD21 LEU 36 39.079 6.675 -14.278
278 HD22 LEU 36 HD22 LEU 36 39.051 6.769 -12.518
279 HD23 LEU 36 HD23 LEU 36 39.167 8.244 -13.482
280 H HIS 37 HN HIS 37 34.744 4.581 -11.652
281 HA HIS 37 HA HIS 37 34.365 3.744 -14.381
282 HB2 HIS 37 HB2 HIS 37 34.328 2.429 -11.700
283 HB3 HIS 37 HB1 HIS 37 33.509 1.619 -13.037
284 HD2 HIS 37 HD2 HIS 37 35.207 0.446 -14.922
285 HE1 HIS 37 HE1 HIS 37 38.843 1.814 -13.263
286 HE2 HIS 37 HE2 HIS 37 37.815 0.306 -15.027
287 H SER 38 HN SER 38 32.346 4.564 -11.657
288 HA SER 38 HA SER 38 29.886 3.501 -12.539
289 HB2 SER 38 HB2 SER 38 30.487 5.897 -10.794
290 HB3 SER 38 HB1 SER 38 28.879 5.213 -11.011
291 HG SER 38 HG SER 38 30.848 4.412 -9.386
292 H TRP 39 HN TRP 39 31.364 6.749 -13.084
293 HA TRP 39 HA TRP 39 29.145 7.725 -14.585
294 HB2 TRP 39 HB2 TRP 39 32.049 8.547 -14.475
295 HB3 TRP 39 HB1 TRP 39 30.836 9.406 -15.421
296 HD1 TRP 39 HD1 TRP 39 32.295 9.272 -12.051
297 HE1 TRP 39 HE1 TRP 39 30.863 10.629 -10.391
298 HE3 TRP 39 HE3 TRP 39 28.116 9.971 -14.881
299 HZ2 TRP 39 HZ2 TRP 39 28.282 11.857 -10.285
300 HZ3 TRP 39 HZ3 TRP 39 26.185 11.240 -13.984
301 HH2 TRP 39 HH2 TRP 39 26.264 12.183 -11.692
302 H LYS 40 HN LYS 40 32.092 5.983 -15.382
303 HA LYS 40 HA LYS 40 31.779 6.220 -18.232
304 HB2 LYS 40 HB2 LYS 40 33.985 5.904 -17.154
305 HB3 LYS 40 HB1 LYS 40 33.474 4.309 -16.603
306 HG2 LYS 40 HG2 LYS 40 33.161 3.595 -18.949
307 HG3 LYS 40 HG1 LYS 40 33.677 5.191 -19.502
308 HD2 LYS 40 HD2 LYS 40 35.864 4.861 -18.404
309 HD3 LYS 40 HD1 LYS 40 35.349 3.261 -17.867
310 HE2 LYS 40 HE2 LYS 40 36.688 3.030 -19.892
311 HE3 LYS 40 HE1 LYS 40 35.015 2.603 -20.249
312 HZ1 LYS 40 HZ1 LYS 40 36.262 4.180 -21.826
313 HZ2 LYS 40 HZ2 LYS 40 35.966 5.366 -20.643
314 HZ3 LYS 40 HZ3 LYS 40 34.667 4.563 -21.391
315 H LYS 41 HN LYS 41 30.691 4.933 -19.598
316 HA LYS 41 HA LYS 41 29.028 2.812 -18.502
317 HB2 LYS 41 HB2 LYS 41 29.304 3.945 -21.300
318 HB3 LYS 41 HB1 LYS 41 28.176 2.661 -20.860
319 HG2 LYS 41 HG2 LYS 41 27.098 4.151 -19.221
320 HG3 LYS 41 HG1 LYS 41 28.230 5.437 -19.633
321 HD2 LYS 41 HD2 LYS 41 27.397 5.394 -21.979
322 HD3 LYS 41 HD1 LYS 41 26.231 4.150 -21.522
323 HE2 LYS 41 HE2 LYS 41 25.189 5.687 -19.911
324 HE3 LYS 41 HE1 LYS 41 26.376 6.927 -20.308
325 HZ1 LYS 41 HZ1 LYS 41 24.111 6.999 -21.469
326 HZ2 LYS 41 HZ2 LYS 41 24.697 5.710 -22.409
327 HZ3 LYS 41 HZ3 LYS 41 25.500 7.207 -22.419
328 H LYS 42 HN LYS 42 29.344 0.651 -18.787
329 HA LYS 42 HA LYS 42 30.609 -1.258 -19.083
330 HB2 LYS 42 HB2 LYS 42 29.530 -0.908 -21.311
331 HB3 LYS 42 HB1 LYS 42 30.974 -0.046 -21.837
332 HG2 LYS 42 HG2 LYS 42 32.339 -2.046 -21.428
333 HG3 LYS 42 HG1 LYS 42 30.921 -2.904 -20.831
334 HD2 LYS 42 HD2 LYS 42 29.840 -2.640 -23.041
335 HD3 LYS 42 HD1 LYS 42 31.284 -1.812 -23.635
336 HE2 LYS 42 HE2 LYS 42 32.640 -3.800 -23.175
337 HE3 LYS 42 HE1 LYS 42 31.230 -4.632 -22.527
338 HZ1 LYS 42 HZ1 LYS 42 30.455 -3.726 -24.996
339 HZ2 LYS 42 HZ2 LYS 42 30.859 -5.325 -24.582
340 HZ3 LYS 42 HZ3 LYS 42 32.036 -4.289 -25.233
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 54.007 -1.571 6.848
2 H2 MET 1 HT2 MET 1 53.482 -2.216 5.365
3 H3 MET 1 HT3 MET 1 53.847 -3.250 6.663
4 HA MET 1 HA MET 1 52.006 -2.310 7.934
5 HB2 MET 1 HB2 MET 1 51.581 -0.793 5.347
6 HB3 MET 1 HB1 MET 1 50.376 -0.906 6.629
7 HG2 MET 1 HG2 MET 1 53.184 0.148 7.033
8 HG3 MET 1 HG1 MET 1 51.787 1.180 6.751
9 HE1 MET 1 HE1 MET 1 49.340 -0.201 9.055
10 HE2 MET 1 HE2 MET 1 49.740 0.990 7.821
11 HE3 MET 1 HE3 MET 1 49.778 1.446 9.521
12 H ALA 2 HN ALA 2 51.167 -4.285 8.057
13 HA ALA 2 HA ALA 2 50.604 -5.914 5.774
14 HB1 ALA 2 HB1 ALA 2 49.316 -6.486 8.398
15 HB2 ALA 2 HB2 ALA 2 51.078 -6.502 8.337
16 HB3 ALA 2 HB3 ALA 2 50.151 -7.575 7.289
17 H GLU 3 HN GLU 3 48.597 -6.550 4.952
18 HA GLU 3 HA GLU 3 46.644 -4.528 4.695
19 HB2 GLU 3 HB2 GLU 3 46.518 -7.499 4.119
20 HB3 GLU 3 HB1 GLU 3 45.279 -6.344 3.637
21 HG2 GLU 3 HG2 GLU 3 46.614 -6.472 1.718
22 HG3 GLU 3 HG1 GLU 3 47.264 -5.050 2.524
23 H ALA 4 HN ALA 4 46.837 -7.373 6.803
24 HA ALA 4 HA ALA 4 44.212 -7.364 7.776
25 HB1 ALA 4 HB1 ALA 4 46.725 -8.601 8.479
26 HB2 ALA 4 HB2 ALA 4 45.082 -9.179 8.759
27 HB3 ALA 4 HB3 ALA 4 45.853 -8.107 9.929
28 H HIS 5 HN HIS 5 46.976 -5.351 8.616
29 HA HIS 5 HA HIS 5 45.930 -4.267 11.028
30 HB2 HIS 5 HB2 HIS 5 48.324 -4.080 10.301
31 HB3 HIS 5 HB1 HIS 5 47.821 -2.913 9.080
32 HD2 HIS 5 HD2 HIS 5 48.959 -2.881 12.701
33 HE1 HIS 5 HE1 HIS 5 46.807 0.716 12.186
34 HE2 HIS 5 HE2 HIS 5 48.410 -0.537 13.705
35 H GLN 6 HN GLN 6 45.659 -3.317 7.628
36 HA GLN 6 HA GLN 6 44.030 -0.992 8.310
37 HB2 GLN 6 HB2 GLN 6 44.955 -2.126 5.664
38 HB3 GLN 6 HB1 GLN 6 43.962 -0.675 5.825
39 HG2 GLN 6 HG2 GLN 6 45.708 0.383 7.198
40 HG3 GLN 6 HG1 GLN 6 46.700 -1.068 7.075
41 HE21 GLN 6 HE21 GLN 6 48.109 0.920 6.091
42 HE22 GLN 6 HE22 GLN 6 48.025 1.043 4.400
43 H ALA 7 HN ALA 7 43.063 -3.749 8.884
44 HA ALA 7 HA ALA 7 41.119 -4.622 7.075
45 HB1 ALA 7 HB1 ALA 7 41.179 -4.724 10.096
46 HB2 ALA 7 HB2 ALA 7 41.735 -5.973 8.982
47 HB3 ALA 7 HB3 ALA 7 40.013 -5.599 9.104
48 H VAL 8 HN VAL 8 41.152 -1.897 9.226
49 HA VAL 8 HA VAL 8 38.300 -1.334 8.637
50 HB VAL 8 HB VAL 8 40.092 -0.540 10.939
51 HG11 VAL 8 HG11 VAL 8 38.868 1.447 10.496
52 HG12 VAL 8 HG12 VAL 8 37.952 0.624 11.759
53 HG13 VAL 8 HG13 VAL 8 37.407 0.550 10.083
54 HG21 VAL 8 HG21 VAL 8 38.747 -1.917 12.237
55 HG22 VAL 8 HG22 VAL 8 38.721 -2.788 10.704
56 HG23 VAL 8 HG23 VAL 8 37.364 -1.756 11.156
57 H ALA 9 HN ALA 9 37.837 0.423 7.418
58 HA ALA 9 HA ALA 9 39.974 2.436 7.022
59 HB1 ALA 9 HB1 ALA 9 39.091 0.731 5.078
60 HB2 ALA 9 HB2 ALA 9 39.813 2.312 4.780
61 HB3 ALA 9 HB3 ALA 9 38.058 2.136 4.818
62 H PHE 10 HN PHE 10 36.678 1.803 7.786
63 HA PHE 10 HA PHE 10 36.175 4.706 7.897
64 HB2 PHE 10 HB2 PHE 10 34.937 4.012 6.017
65 HB3 PHE 10 HB1 PHE 10 34.447 2.509 6.780
66 HD1 PHE 10 HD1 PHE 10 34.301 5.829 8.501
67 HD2 PHE 10 HD2 PHE 10 32.112 2.766 6.431
68 HE1 PHE 10 HE1 PHE 10 32.174 6.833 9.261
69 HE2 PHE 10 HE2 PHE 10 29.986 3.784 7.179
70 HZ PHE 10 HZ PHE 10 30.014 5.819 8.595
71 H GLN 11 HN GLN 11 35.515 5.376 9.879
72 HA GLN 11 HA GLN 11 34.241 3.385 11.666
73 HB2 GLN 11 HB2 GLN 11 36.559 5.197 12.327
74 HB3 GLN 11 HB1 GLN 11 35.531 4.498 13.573
75 HG2 GLN 11 HG2 GLN 11 37.023 2.898 11.469
76 HG3 GLN 11 HG1 GLN 11 37.574 3.131 13.125
77 HE21 GLN 11 HE21 GLN 11 35.936 0.940 11.204
78 HE22 GLN 11 HE22 GLN 11 35.021 0.163 12.403
79 H PHE 12 HN PHE 12 32.516 4.009 12.759
80 HA PHE 12 HA PHE 12 31.859 6.885 12.766
81 HB2 PHE 12 HB2 PHE 12 30.454 5.955 11.137
82 HB3 PHE 12 HB1 PHE 12 30.244 4.463 12.035
83 HD1 PHE 12 HD1 PHE 12 29.937 7.851 13.595
84 HD2 PHE 12 HD2 PHE 12 27.877 4.436 11.988
85 HE1 PHE 12 HE1 PHE 12 27.817 8.647 14.594
86 HE2 PHE 12 HE2 PHE 12 25.761 5.242 12.984
87 HZ PHE 12 HZ PHE 12 25.727 7.348 14.290
88 H THR 13 HN THR 13 31.603 7.616 14.818
89 HA THR 13 HA THR 13 30.645 5.708 16.877
90 HB THR 13 HB THR 13 32.559 7.829 17.661
91 HG1 THR 13 HG1 THR 13 34.121 7.009 16.554
92 HG21 THR 13 HG21 THR 13 32.633 4.966 18.515
93 HG22 THR 13 HG22 THR 13 31.312 5.986 19.090
94 HG23 THR 13 HG23 THR 13 32.983 6.422 19.443
95 H VAL 14 HN VAL 14 29.152 6.370 18.247
96 HA VAL 14 HA VAL 14 28.190 9.138 18.013
97 HB VAL 14 HB VAL 14 26.921 6.624 19.119
98 HG11 VAL 14 HG11 VAL 14 25.926 8.136 20.520
99 HG12 VAL 14 HG12 VAL 14 24.922 8.443 19.102
100 HG13 VAL 14 HG13 VAL 14 26.283 9.506 19.467
101 HG21 VAL 14 HG21 VAL 14 25.547 8.239 17.070
102 HG22 VAL 14 HG22 VAL 14 25.813 6.497 17.132
103 HG23 VAL 14 HG23 VAL 14 27.081 7.561 16.525
104 H THR 15 HN THR 15 28.618 10.592 19.620
105 HA THR 15 HA THR 15 29.324 9.508 22.282
106 HB THR 15 HB THR 15 31.250 10.681 22.283
107 HG1 THR 15 HG1 THR 15 30.865 12.704 22.598
108 HG21 THR 15 HG21 THR 15 30.552 11.435 19.432
109 HG22 THR 15 HG22 THR 15 31.195 9.861 19.906
110 HG23 THR 15 HG23 THR 15 32.167 11.315 20.135
111 HA PRO 16 HA PRO 16 26.135 11.987 24.083
112 HB2 PRO 16 HB2 PRO 16 28.154 13.428 25.718
113 HB3 PRO 16 HB1 PRO 16 26.729 12.517 26.243
114 HG2 PRO 16 HG2 PRO 16 29.274 11.611 26.489
115 HG3 PRO 16 HG1 PRO 16 27.856 10.561 26.344
116 HD2 PRO 16 HD2 PRO 16 29.997 11.069 24.383
117 HD3 PRO 16 HD1 PRO 16 28.823 9.738 24.464
118 H ASP 17 HN ASP 17 29.174 13.734 23.287
119 HA ASP 17 HA ASP 17 27.883 16.271 22.986
120 HB2 ASP 17 HB2 ASP 17 30.601 15.242 22.157
121 HB3 ASP 17 HB1 ASP 17 30.074 16.904 21.904
122 H GLY 18 HN GLY 18 28.176 13.498 20.838
123 HA2 GLY 18 HA2 GLY 18 26.492 14.396 18.921
124 HA3 GLY 18 HA1 GLY 18 28.020 15.121 18.435
125 H ILE 19 HN ILE 19 28.564 13.968 16.661
126 HA ILE 19 HA ILE 19 28.979 11.084 17.007
127 HB ILE 19 HB ILE 19 28.316 10.925 14.562
128 HG12 ILE 19 HG12 ILE 19 28.347 13.635 14.630
129 HG13 ILE 19 HG11 ILE 19 27.418 12.714 13.452
130 HG21 ILE 19 HG21 ILE 19 26.316 11.602 16.730
131 HG22 ILE 19 HG22 ILE 19 26.838 10.007 16.204
132 HG23 ILE 19 HG23 ILE 19 25.828 10.989 15.147
133 HD11 ILE 19 HD11 ILE 19 25.398 12.952 14.734
134 HD12 ILE 19 HD12 ILE 19 26.136 14.549 14.659
135 HD13 ILE 19 HD13 ILE 19 26.284 13.581 16.124
136 H ASP 20 HN ASP 20 30.653 10.270 15.781
137 HA ASP 20 HA ASP 20 32.483 12.232 14.533
138 HB2 ASP 20 HB2 ASP 20 33.165 10.021 16.478
139 HB3 ASP 20 HB1 ASP 20 34.370 10.839 15.483
140 H LEU 21 HN LEU 21 33.447 11.593 12.614
141 HA LEU 21 HA LEU 21 33.097 8.785 11.811
142 HB2 LEU 21 HB2 LEU 21 32.330 11.212 10.161
143 HB3 LEU 21 HB1 LEU 21 32.413 9.566 9.534
144 HG LEU 21 HG LEU 21 30.828 9.147 11.701
145 HD11 LEU 21 HD11 LEU 21 29.319 10.934 12.081
146 HD12 LEU 21 HD12 LEU 21 29.893 11.831 10.676
147 HD13 LEU 21 HD13 LEU 21 30.912 11.685 12.109
148 HD21 LEU 21 HD21 LEU 21 30.219 8.382 9.510
149 HD22 LEU 21 HD22 LEU 21 30.053 10.031 8.908
150 HD23 LEU 21 HD23 LEU 21 28.890 9.396 10.071
151 H ARG 22 HN ARG 22 34.965 7.988 11.253
152 HA ARG 22 HA ARG 22 37.064 9.802 10.185
153 HB2 ARG 22 HB2 ARG 22 37.619 8.904 12.404
154 HB3 ARG 22 HB1 ARG 22 37.440 7.265 11.784
155 HG2 ARG 22 HG2 ARG 22 39.270 7.667 10.175
156 HG3 ARG 22 HG1 ARG 22 39.438 9.317 10.778
157 HD2 ARG 22 HD2 ARG 22 39.744 6.834 12.485
158 HD3 ARG 22 HD1 ARG 22 41.092 7.719 11.772
159 HE ARG 22 HE ARG 22 39.479 9.525 13.228
160 HH11 ARG 22 HH21 ARG 22 41.643 6.854 13.645
161 HH12 ARG 22 HH22 ARG 22 42.143 7.334 15.232
162 HH21 ARG 22 HH11 ARG 22 40.125 10.157 15.297
163 HH22 ARG 22 HH12 ARG 22 41.273 9.204 16.175
164 H LEU 23 HN LEU 23 38.130 9.302 8.354
165 HA LEU 23 HA LEU 23 37.662 6.656 7.177
166 HB2 LEU 23 HB2 LEU 23 37.194 9.306 5.785
167 HB3 LEU 23 HB1 LEU 23 37.270 7.747 4.968
168 HG LEU 23 HG LEU 23 35.437 7.184 6.902
169 HD11 LEU 23 HD11 LEU 23 33.973 9.034 7.253
170 HD12 LEU 23 HD12 LEU 23 34.823 10.019 6.063
171 HD13 LEU 23 HD13 LEU 23 35.595 9.637 7.602
172 HD21 LEU 23 HD21 LEU 23 34.971 8.468 4.197
173 HD22 LEU 23 HD22 LEU 23 33.718 7.657 5.137
174 HD23 LEU 23 HD23 LEU 23 35.101 6.743 4.535
175 H SER 24 HN SER 24 39.428 5.845 6.271
176 HA SER 24 HA SER 24 41.933 7.235 6.480
177 HB2 SER 24 HB2 SER 24 41.142 4.520 5.442
178 HB3 SER 24 HB1 SER 24 42.798 5.114 5.340
179 HG SER 24 HG SER 24 42.627 4.055 7.268
180 H HIS 25 HN HIS 25 43.381 7.748 4.814
181 HA HIS 25 HA HIS 25 42.342 9.069 2.570
182 HB2 HIS 25 HB2 HIS 25 45.123 7.966 3.071
183 HB3 HIS 25 HB1 HIS 25 44.708 9.033 1.728
184 HD2 HIS 25 HD2 HIS 25 45.292 9.264 5.594
185 HE1 HIS 25 HE1 HIS 25 44.310 13.126 4.201
186 HE2 HIS 25 HE2 HIS 25 45.086 11.794 6.220
187 H GLU 26 HN GLU 26 43.272 5.804 3.124
188 HA GLU 26 HA GLU 26 43.407 4.940 0.415
189 HB2 GLU 26 HB2 GLU 26 42.906 3.434 2.993
190 HB3 GLU 26 HB1 GLU 26 43.108 2.650 1.428
191 HG2 GLU 26 HG2 GLU 26 45.337 3.627 1.183
192 HG3 GLU 26 HG1 GLU 26 45.137 4.514 2.693
193 H ALA 27 HN ALA 27 40.820 5.163 2.807
194 HA ALA 27 HA ALA 27 38.804 3.798 1.387
195 HB1 ALA 27 HB1 ALA 27 38.995 5.099 3.836
196 HB2 ALA 27 HB2 ALA 27 37.553 4.326 3.180
197 HB3 ALA 27 HB3 ALA 27 37.815 6.053 2.938
198 H LEU 28 HN LEU 28 39.994 7.061 1.250
199 HA LEU 28 HA LEU 28 37.906 8.181 -0.345
200 HB2 LEU 28 HB2 LEU 28 40.758 9.074 0.126
201 HB3 LEU 28 HB1 LEU 28 39.584 10.008 -0.797
202 HG LEU 28 HG LEU 28 39.188 9.116 2.079
203 HD11 LEU 28 HD11 LEU 28 41.010 10.910 1.527
204 HD12 LEU 28 HD12 LEU 28 39.839 11.247 2.798
205 HD13 LEU 28 HD13 LEU 28 39.630 11.958 1.200
206 HD21 LEU 28 HD21 LEU 28 37.025 9.577 1.537
207 HD22 LEU 28 HD22 LEU 28 37.478 10.437 0.067
208 HD23 LEU 28 HD23 LEU 28 37.539 11.260 1.623
209 H ARG 29 HN ARG 29 40.997 6.667 -1.082
210 HA ARG 29 HA ARG 29 41.053 7.288 -3.828
211 HB2 ARG 29 HB2 ARG 29 42.286 5.019 -2.260
212 HB3 ARG 29 HB1 ARG 29 42.581 5.274 -3.980
213 HG2 ARG 29 HG2 ARG 29 43.464 7.516 -3.518
214 HG3 ARG 29 HG1 ARG 29 43.129 7.305 -1.796
215 HD2 ARG 29 HD2 ARG 29 44.655 5.367 -1.737
216 HD3 ARG 29 HD1 ARG 29 44.991 5.580 -3.453
217 HE ARG 29 HE ARG 29 45.542 8.006 -2.125
218 HH11 ARG 29 HH21 ARG 29 46.617 4.736 -2.359
219 HH12 ARG 29 HH22 ARG 29 48.267 5.096 -1.980
220 HH21 ARG 29 HH11 ARG 29 47.700 8.505 -1.622
221 HH22 ARG 29 HH12 ARG 29 48.886 7.245 -1.587
222 H GLN 30 HN GLN 30 39.589 4.601 -2.060
223 HA GLN 30 HA GLN 30 38.944 3.109 -4.411
224 HB2 GLN 30 HB2 GLN 30 37.847 3.017 -1.591
225 HB3 GLN 30 HB1 GLN 30 37.397 1.875 -2.858
226 HG2 GLN 30 HG2 GLN 30 39.742 1.189 -3.108
227 HG3 GLN 30 HG1 GLN 30 40.230 2.364 -1.888
228 HE21 GLN 30 HE21 GLN 30 41.015 0.025 -1.015
229 HE22 GLN 30 HE22 GLN 30 39.927 -0.713 0.060
230 H ILE 31 HN ILE 31 37.227 5.410 -2.373
231 HA ILE 31 HA ILE 31 34.724 5.166 -3.621
232 HB ILE 31 HB ILE 31 35.992 7.414 -2.056
233 HG12 ILE 31 HG12 ILE 31 33.783 5.515 -1.255
234 HG13 ILE 31 HG11 ILE 31 35.486 5.117 -1.011
235 HG21 ILE 31 HG21 ILE 31 34.304 8.639 -3.005
236 HG22 ILE 31 HG22 ILE 31 33.334 7.813 -1.787
237 HG23 ILE 31 HG23 ILE 31 33.373 7.206 -3.441
238 HD11 ILE 31 HD11 ILE 31 34.400 7.762 -0.074
239 HD12 ILE 31 HD12 ILE 31 35.810 6.875 0.505
240 HD13 ILE 31 HD13 ILE 31 34.188 6.317 0.916
241 H TYR 32 HN TYR 32 37.376 7.525 -4.308
242 HA TYR 32 HA TYR 32 35.943 8.933 -6.310
243 HB2 TYR 32 HB2 TYR 32 37.920 9.913 -5.338
244 HB3 TYR 32 HB1 TYR 32 38.909 8.551 -5.858
245 HD1 TYR 32 HD1 TYR 32 36.823 11.386 -7.124
246 HD2 TYR 32 HD2 TYR 32 39.841 8.462 -8.013
247 HE1 TYR 32 HE1 TYR 32 37.243 12.480 -9.312
248 HE2 TYR 32 HE2 TYR 32 40.259 9.554 -10.193
249 HH TYR 32 HH TYR 32 39.692 11.172 -11.563
250 H LEU 33 HN LEU 33 38.293 6.257 -6.538
251 HA LEU 33 HA LEU 33 38.241 6.014 -9.349
252 HB2 LEU 33 HB2 LEU 33 38.822 3.997 -7.175
253 HB3 LEU 33 HB1 LEU 33 39.068 3.670 -8.888
254 HG LEU 33 HG LEU 33 40.339 6.000 -7.412
255 HD11 LEU 33 HD11 LEU 33 41.005 3.222 -7.297
256 HD12 LEU 33 HD12 LEU 33 41.890 4.585 -6.615
257 HD13 LEU 33 HD13 LEU 33 42.244 4.037 -8.252
258 HD21 LEU 33 HD21 LEU 33 41.904 5.425 -9.589
259 HD22 LEU 33 HD22 LEU 33 40.649 6.662 -9.573
260 HD23 LEU 33 HD23 LEU 33 40.301 5.062 -10.219
261 H SER 34 HN SER 34 36.267 4.403 -6.832
262 HA SER 34 HA SER 34 34.844 2.683 -8.566
263 HB2 SER 34 HB2 SER 34 33.154 2.633 -6.752
264 HB3 SER 34 HB1 SER 34 34.792 2.408 -6.140
265 HG SER 34 HG SER 34 33.514 3.973 -4.968
266 H GLY 35 HN GLY 35 34.396 6.039 -7.645
267 HA2 GLY 35 HA2 GLY 35 31.828 6.373 -8.846
268 HA3 GLY 35 HA1 GLY 35 32.919 7.666 -8.354
269 H LEU 36 HN LEU 36 35.152 6.852 -9.888
270 HA LEU 36 HA LEU 36 34.644 8.171 -12.298
271 HB2 LEU 36 HB2 LEU 36 36.883 8.006 -11.245
272 HB3 LEU 36 HB1 LEU 36 36.925 6.295 -11.655
273 HG LEU 36 HG LEU 36 36.810 6.840 -14.050
274 HD11 LEU 36 HD11 LEU 36 36.427 9.615 -12.969
275 HD12 LEU 36 HD12 LEU 36 35.607 8.822 -14.313
276 HD13 LEU 36 HD13 LEU 36 37.258 9.411 -14.509
277 HD21 LEU 36 HD21 LEU 36 39.060 7.119 -14.088
278 HD22 LEU 36 HD22 LEU 36 38.963 7.266 -12.332
279 HD23 LEU 36 HD23 LEU 36 38.942 8.714 -13.341
280 H HIS 37 HN HIS 37 34.719 4.762 -11.470
281 HA HIS 37 HA HIS 37 34.458 3.805 -14.164
282 HB2 HIS 37 HB2 HIS 37 34.120 2.539 -11.444
283 HB3 HIS 37 HB1 HIS 37 33.868 1.648 -12.949
284 HD2 HIS 37 HD2 HIS 37 36.216 0.782 -14.165
285 HE1 HIS 37 HE1 HIS 37 38.917 2.947 -11.750
286 HE2 HIS 37 HE2 HIS 37 38.729 1.221 -13.603
287 H SER 38 HN SER 38 32.299 4.676 -11.563
288 HA SER 38 HA SER 38 29.923 3.483 -12.532
289 HB2 SER 38 HB2 SER 38 30.166 6.035 -10.923
290 HB3 SER 38 HB1 SER 38 28.739 5.013 -11.061
291 HG SER 38 HG SER 38 31.208 3.974 -10.165
292 H TRP 39 HN TRP 39 31.314 6.774 -13.056
293 HA TRP 39 HA TRP 39 29.148 7.623 -14.693
294 HB2 TRP 39 HB2 TRP 39 31.954 8.630 -14.271
295 HB3 TRP 39 HB1 TRP 39 30.908 9.342 -15.496
296 HD1 TRP 39 HD1 TRP 39 28.216 9.693 -14.260
297 HE1 TRP 39 HE1 TRP 39 27.800 11.068 -12.120
298 HE3 TRP 39 HE3 TRP 39 32.913 9.692 -12.283
299 HZ2 TRP 39 HZ2 TRP 39 29.269 12.037 -9.863
300 HZ3 TRP 39 HZ3 TRP 39 33.385 10.840 -10.144
301 HH2 TRP 39 HH2 TRP 39 31.570 12.019 -8.934
302 H LYS 40 HN LYS 40 32.186 5.972 -15.310
303 HA LYS 40 HA LYS 40 31.979 6.180 -18.177
304 HB2 LYS 40 HB2 LYS 40 33.710 4.477 -16.370
305 HB3 LYS 40 HB1 LYS 40 33.833 4.472 -18.130
306 HG2 LYS 40 HG2 LYS 40 34.306 6.898 -18.105
307 HG3 LYS 40 HG1 LYS 40 34.188 6.903 -16.347
308 HD2 LYS 40 HD2 LYS 40 36.055 5.268 -16.230
309 HD3 LYS 40 HD1 LYS 40 36.198 5.330 -17.987
310 HE2 LYS 40 HE2 LYS 40 36.465 7.749 -16.182
311 HE3 LYS 40 HE1 LYS 40 37.834 6.819 -16.784
312 HZ1 LYS 40 HZ1 LYS 40 37.030 8.889 -18.072
313 HZ2 LYS 40 HZ2 LYS 40 35.820 7.853 -18.665
314 HZ3 LYS 40 HZ3 LYS 40 37.460 7.493 -18.934
315 H LYS 41 HN LYS 41 31.349 4.615 -19.630
316 HA LYS 41 HA LYS 41 29.263 2.863 -18.813
317 HB2 LYS 41 HB2 LYS 41 29.402 3.869 -21.071
318 HB3 LYS 41 HB1 LYS 41 30.831 2.893 -21.403
319 HG2 LYS 41 HG2 LYS 41 29.537 0.841 -21.116
320 HG3 LYS 41 HG1 LYS 41 28.108 1.780 -20.677
321 HD2 LYS 41 HD2 LYS 41 28.133 2.857 -22.895
322 HD3 LYS 41 HD1 LYS 41 29.552 1.910 -23.339
323 HE2 LYS 41 HE2 LYS 41 28.256 -0.171 -23.013
324 HE3 LYS 41 HE1 LYS 41 26.839 0.788 -22.590
325 HZ1 LYS 41 HZ1 LYS 41 26.411 1.175 -24.718
326 HZ2 LYS 41 HZ2 LYS 41 27.587 0.012 -25.106
327 HZ3 LYS 41 HZ3 LYS 41 28.005 1.658 -25.036
328 H LYS 42 HN LYS 42 29.329 0.797 -18.178
329 HA LYS 42 HA LYS 42 31.614 -0.438 -17.263
330 HB2 LYS 42 HB2 LYS 42 29.047 -1.666 -18.266
331 HB3 LYS 42 HB1 LYS 42 30.302 -2.577 -17.424
332 HG2 LYS 42 HG2 LYS 42 30.098 -1.063 -15.486
333 HG3 LYS 42 HG1 LYS 42 28.839 -0.158 -16.327
334 HD2 LYS 42 HD2 LYS 42 27.458 -2.209 -16.451
335 HD3 LYS 42 HD1 LYS 42 28.708 -3.090 -15.570
336 HE2 LYS 42 HE2 LYS 42 28.453 -1.560 -13.661
337 HE3 LYS 42 HE1 LYS 42 27.214 -0.666 -14.538
338 HZ1 LYS 42 HZ1 LYS 42 26.253 -3.127 -14.730
339 HZ2 LYS 42 HZ2 LYS 42 25.859 -2.073 -13.456
340 HZ3 LYS 42 HZ3 LYS 42 27.058 -3.258 -13.242
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 53.980 1.597 10.781
2 H2 MET 1 HT2 MET 1 54.488 0.543 9.550
3 H3 MET 1 HT3 MET 1 54.084 -0.068 11.084
4 HA MET 1 HA MET 1 51.894 1.394 10.126
5 HB2 MET 1 HB2 MET 1 53.075 -0.636 8.212
6 HB3 MET 1 HB1 MET 1 51.391 -0.120 8.159
7 HG2 MET 1 HG2 MET 1 52.108 2.214 7.845
8 HG3 MET 1 HG1 MET 1 53.797 1.712 7.899
9 HE1 MET 1 HE1 MET 1 53.787 -1.126 5.714
10 HE2 MET 1 HE2 MET 1 54.741 -0.005 6.680
11 HE3 MET 1 HE3 MET 1 54.751 0.128 4.925
12 H ALA 2 HN ALA 2 49.993 -0.088 10.095
13 HA ALA 2 HA ALA 2 50.442 -2.617 11.512
14 HB1 ALA 2 HB1 ALA 2 48.173 -1.480 12.717
15 HB2 ALA 2 HB2 ALA 2 49.401 -0.212 12.715
16 HB3 ALA 2 HB3 ALA 2 49.745 -1.770 13.463
17 H GLU 3 HN GLU 3 48.880 -4.151 11.167
18 HA GLU 3 HA GLU 3 47.393 -3.945 8.758
19 HB2 GLU 3 HB2 GLU 3 47.348 -5.993 10.982
20 HB3 GLU 3 HB1 GLU 3 46.431 -6.156 9.486
21 HG2 GLU 3 HG2 GLU 3 48.556 -5.967 8.196
22 HG3 GLU 3 HG1 GLU 3 49.444 -5.906 9.720
23 H ALA 4 HN ALA 4 46.712 -2.952 11.959
24 HA ALA 4 HA ALA 4 43.912 -3.346 12.047
25 HB1 ALA 4 HB1 ALA 4 44.479 -0.929 13.392
26 HB2 ALA 4 HB2 ALA 4 45.890 -1.964 13.621
27 HB3 ALA 4 HB3 ALA 4 44.292 -2.532 14.103
28 H HIS 5 HN HIS 5 45.909 -0.713 10.794
29 HA HIS 5 HA HIS 5 43.762 1.026 10.159
30 HB2 HIS 5 HB2 HIS 5 46.509 0.843 8.890
31 HB3 HIS 5 HB1 HIS 5 45.404 2.216 8.792
32 HD2 HIS 5 HD2 HIS 5 48.238 1.051 11.041
33 HE1 HIS 5 HE1 HIS 5 45.971 3.738 13.380
34 HE2 HIS 5 HE2 HIS 5 48.181 2.494 13.217
35 H GLN 6 HN GLN 6 45.465 -1.496 8.359
36 HA GLN 6 HA GLN 6 44.158 -1.055 5.872
37 HB2 GLN 6 HB2 GLN 6 45.548 -3.470 7.036
38 HB3 GLN 6 HB1 GLN 6 44.910 -3.417 5.393
39 HG2 GLN 6 HG2 GLN 6 46.354 -1.542 4.839
40 HG3 GLN 6 HG1 GLN 6 46.921 -1.444 6.507
41 HE21 GLN 6 HE21 GLN 6 48.990 -1.800 4.851
42 HE22 GLN 6 HE22 GLN 6 49.508 -3.417 4.791
43 H ALA 7 HN ALA 7 43.454 -3.105 8.670
44 HA ALA 7 HA ALA 7 41.392 -4.629 7.520
45 HB1 ALA 7 HB1 ALA 7 42.407 -5.255 9.646
46 HB2 ALA 7 HB2 ALA 7 40.666 -5.047 9.849
47 HB3 ALA 7 HB3 ALA 7 41.774 -3.792 10.402
48 H VAL 8 HN VAL 8 41.337 -1.466 9.122
49 HA VAL 8 HA VAL 8 38.489 -1.225 8.340
50 HB VAL 8 HB VAL 8 38.461 0.591 10.151
51 HG11 VAL 8 HG11 VAL 8 38.430 -1.341 11.965
52 HG12 VAL 8 HG12 VAL 8 38.559 -2.375 10.543
53 HG13 VAL 8 HG13 VAL 8 37.197 -1.265 10.707
54 HG21 VAL 8 HG21 VAL 8 41.144 0.171 10.253
55 HG22 VAL 8 HG22 VAL 8 40.610 -0.914 11.539
56 HG23 VAL 8 HG23 VAL 8 40.209 0.800 11.610
57 H ALA 9 HN ALA 9 37.980 0.305 6.918
58 HA ALA 9 HA ALA 9 40.030 2.321 6.235
59 HB1 ALA 9 HB1 ALA 9 39.418 2.097 4.059
60 HB2 ALA 9 HB2 ALA 9 37.704 1.980 4.457
61 HB3 ALA 9 HB3 ALA 9 38.739 0.559 4.596
62 H PHE 10 HN PHE 10 36.858 1.815 7.473
63 HA PHE 10 HA PHE 10 36.551 4.709 7.803
64 HB2 PHE 10 HB2 PHE 10 34.334 4.815 7.015
65 HB3 PHE 10 HB1 PHE 10 35.214 3.900 5.802
66 HD1 PHE 10 HD1 PHE 10 35.283 1.218 7.470
67 HD2 PHE 10 HD2 PHE 10 32.165 4.002 6.475
68 HE1 PHE 10 HE1 PHE 10 33.615 -0.574 7.712
69 HE2 PHE 10 HE2 PHE 10 30.492 2.190 6.708
70 HZ PHE 10 HZ PHE 10 31.216 -0.095 7.331
71 H GLN 11 HN GLN 11 35.884 5.348 9.792
72 HA GLN 11 HA GLN 11 34.699 3.279 11.563
73 HB2 GLN 11 HB2 GLN 11 37.131 3.717 12.073
74 HB3 GLN 11 HB1 GLN 11 36.674 5.368 12.480
75 HG2 GLN 11 HG2 GLN 11 35.083 4.509 14.169
76 HG3 GLN 11 HG1 GLN 11 35.571 2.862 13.781
77 HE21 GLN 11 HE21 GLN 11 37.128 2.052 15.182
78 HE22 GLN 11 HE22 GLN 11 38.281 2.987 16.009
79 H PHE 12 HN PHE 12 32.941 3.874 12.691
80 HA PHE 12 HA PHE 12 32.225 6.743 12.689
81 HB2 PHE 12 HB2 PHE 12 30.799 5.790 11.103
82 HB3 PHE 12 HB1 PHE 12 30.648 4.286 11.993
83 HD1 PHE 12 HD1 PHE 12 30.284 7.636 13.605
84 HD2 PHE 12 HD2 PHE 12 28.258 4.214 11.974
85 HE1 PHE 12 HE1 PHE 12 28.169 8.378 14.646
86 HE2 PHE 12 HE2 PHE 12 26.140 4.986 12.998
87 HZ PHE 12 HZ PHE 12 26.096 7.073 14.330
88 H THR 13 HN THR 13 32.005 7.522 14.700
89 HA THR 13 HA THR 13 31.087 5.676 16.840
90 HB THR 13 HB THR 13 32.850 7.925 17.594
91 HG1 THR 13 HG1 THR 13 33.906 5.507 16.579
92 HG21 THR 13 HG21 THR 13 33.642 6.251 19.210
93 HG22 THR 13 HG22 THR 13 32.663 5.016 18.418
94 HG23 THR 13 HG23 THR 13 31.883 6.367 19.242
95 H VAL 14 HN VAL 14 29.425 6.323 18.002
96 HA VAL 14 HA VAL 14 28.348 9.008 17.523
97 HB VAL 14 HB VAL 14 26.815 7.123 17.188
98 HG11 VAL 14 HG11 VAL 14 26.559 5.423 18.686
99 HG12 VAL 14 HG12 VAL 14 26.650 6.508 20.073
100 HG13 VAL 14 HG13 VAL 14 28.128 5.958 19.287
101 HG21 VAL 14 HG21 VAL 14 26.056 9.358 18.162
102 HG22 VAL 14 HG22 VAL 14 26.079 8.574 19.742
103 HG23 VAL 14 HG23 VAL 14 24.990 7.989 18.484
104 H THR 15 HN THR 15 28.521 10.606 19.004
105 HA THR 15 HA THR 15 29.084 9.816 21.800
106 HB THR 15 HB THR 15 30.471 11.791 22.028
107 HG1 THR 15 HG1 THR 15 29.332 12.348 19.559
108 HG21 THR 15 HG21 THR 15 31.241 9.581 20.734
109 HG22 THR 15 HG22 THR 15 32.319 10.965 20.933
110 HG23 THR 15 HG23 THR 15 31.449 10.736 19.417
111 HA PRO 16 HA PRO 16 25.421 11.998 23.039
112 HB2 PRO 16 HB2 PRO 16 27.136 13.640 24.846
113 HB3 PRO 16 HB1 PRO 16 25.679 12.705 25.221
114 HG2 PRO 16 HG2 PRO 16 28.186 11.900 25.856
115 HG3 PRO 16 HG1 PRO 16 26.837 10.791 25.567
116 HD2 PRO 16 HD2 PRO 16 29.221 11.267 23.916
117 HD3 PRO 16 HD1 PRO 16 28.058 9.925 23.856
118 H ASP 17 HN ASP 17 28.396 13.885 22.423
119 HA ASP 17 HA ASP 17 27.030 16.334 21.873
120 HB2 ASP 17 HB2 ASP 17 29.823 15.362 21.296
121 HB3 ASP 17 HB1 ASP 17 29.261 16.983 20.893
122 H GLY 18 HN GLY 18 27.621 13.469 19.917
123 HA2 GLY 18 HA2 GLY 18 26.053 14.160 17.817
124 HA3 GLY 18 HA1 GLY 18 27.574 14.957 17.424
125 H ILE 19 HN ILE 19 28.323 13.712 15.733
126 HA ILE 19 HA ILE 19 28.921 10.908 16.343
127 HB ILE 19 HB ILE 19 28.435 10.483 13.881
128 HG12 ILE 19 HG12 ILE 19 26.823 13.018 14.121
129 HG13 ILE 19 HG11 ILE 19 28.410 12.964 13.354
130 HG21 ILE 19 HG21 ILE 19 25.954 11.365 15.345
131 HG22 ILE 19 HG22 ILE 19 26.874 9.972 15.909
132 HG23 ILE 19 HG23 ILE 19 26.165 9.964 14.297
133 HD11 ILE 19 HD11 ILE 19 27.581 11.995 11.485
134 HD12 ILE 19 HD12 ILE 19 25.990 12.445 12.096
135 HD13 ILE 19 HD13 ILE 19 26.633 10.834 12.415
136 H ASP 20 HN ASP 20 30.753 10.142 15.396
137 HA ASP 20 HA ASP 20 32.538 12.154 14.150
138 HB2 ASP 20 HB2 ASP 20 33.214 9.923 16.085
139 HB3 ASP 20 HB1 ASP 20 34.422 10.850 15.192
140 H LEU 21 HN LEU 21 33.516 11.563 12.227
141 HA LEU 21 HA LEU 21 33.240 8.743 11.406
142 HB2 LEU 21 HB2 LEU 21 32.610 11.229 9.776
143 HB3 LEU 21 HB1 LEU 21 32.728 9.611 9.095
144 HG LEU 21 HG LEU 21 30.845 10.301 11.370
145 HD11 LEU 21 HD11 LEU 21 29.074 10.334 9.586
146 HD12 LEU 21 HD12 LEU 21 30.361 10.317 8.378
147 HD13 LEU 21 HD13 LEU 21 30.208 11.682 9.482
148 HD21 LEU 21 HD21 LEU 21 31.589 7.861 10.014
149 HD22 LEU 21 HD22 LEU 21 29.898 8.220 9.685
150 HD23 LEU 21 HD23 LEU 21 30.461 8.086 11.345
151 H ARG 22 HN ARG 22 35.195 7.991 11.015
152 HA ARG 22 HA ARG 22 37.297 9.828 9.998
153 HB2 ARG 22 HB2 ARG 22 37.558 7.456 11.859
154 HB3 ARG 22 HB1 ARG 22 38.926 8.308 11.143
155 HG2 ARG 22 HG2 ARG 22 38.261 10.385 12.229
156 HG3 ARG 22 HG1 ARG 22 36.796 9.628 12.852
157 HD2 ARG 22 HD2 ARG 22 38.428 9.651 14.637
158 HD3 ARG 22 HD1 ARG 22 38.246 7.990 14.086
159 HE ARG 22 HE ARG 22 40.385 9.262 12.697
160 HH11 ARG 22 HH21 ARG 22 39.458 7.956 15.773
161 HH12 ARG 22 HH22 ARG 22 41.069 7.513 16.226
162 HH21 ARG 22 HH11 ARG 22 42.506 8.684 13.299
163 HH22 ARG 22 HH12 ARG 22 42.790 7.924 14.829
164 H LEU 23 HN LEU 23 38.414 9.272 8.195
165 HA LEU 23 HA LEU 23 38.145 6.510 7.234
166 HB2 LEU 23 HB2 LEU 23 37.636 8.963 5.531
167 HB3 LEU 23 HB1 LEU 23 37.691 7.296 4.957
168 HG LEU 23 HG LEU 23 35.883 7.027 6.950
169 HD11 LEU 23 HD11 LEU 23 36.099 9.560 7.311
170 HD12 LEU 23 HD12 LEU 23 34.462 8.925 7.129
171 HD13 LEU 23 HD13 LEU 23 35.249 9.735 5.774
172 HD21 LEU 23 HD21 LEU 23 35.288 8.005 4.137
173 HD22 LEU 23 HD22 LEU 23 34.160 7.145 5.184
174 HD23 LEU 23 HD23 LEU 23 35.605 6.329 4.591
175 H SER 24 HN SER 24 39.916 5.739 6.291
176 HA SER 24 HA SER 24 42.360 7.238 6.484
177 HB2 SER 24 HB2 SER 24 43.445 5.223 6.000
178 HB3 SER 24 HB1 SER 24 41.984 4.701 6.833
179 HG SER 24 HG SER 24 42.491 4.769 4.041
180 H HIS 25 HN HIS 25 43.809 7.659 4.760
181 HA HIS 25 HA HIS 25 42.719 8.954 2.530
182 HB2 HIS 25 HB2 HIS 25 45.498 7.826 2.930
183 HB3 HIS 25 HB1 HIS 25 45.040 8.966 1.663
184 HD2 HIS 25 HD2 HIS 25 46.129 9.028 5.342
185 HE1 HIS 25 HE1 HIS 25 44.596 12.868 4.487
186 HE2 HIS 25 HE2 HIS 25 45.901 11.492 6.177
187 H GLU 26 HN GLU 26 43.719 5.688 3.061
188 HA GLU 26 HA GLU 26 43.801 4.827 0.349
189 HB2 GLU 26 HB2 GLU 26 43.389 3.311 2.934
190 HB3 GLU 26 HB1 GLU 26 43.565 2.533 1.359
191 HG2 GLU 26 HG2 GLU 26 45.765 3.526 1.060
192 HG3 GLU 26 HG1 GLU 26 45.588 4.448 2.550
193 H ALA 27 HN ALA 27 41.292 4.980 2.808
194 HA ALA 27 HA ALA 27 39.279 3.553 1.456
195 HB1 ALA 27 HB1 ALA 27 38.260 5.771 3.040
196 HB2 ALA 27 HB2 ALA 27 39.525 4.885 3.891
197 HB3 ALA 27 HB3 ALA 27 38.096 4.035 3.306
198 H LEU 28 HN LEU 28 40.393 6.836 1.277
199 HA LEU 28 HA LEU 28 38.246 7.910 -0.271
200 HB2 LEU 28 HB2 LEU 28 41.104 8.841 0.069
201 HB3 LEU 28 HB1 LEU 28 39.857 9.762 -0.769
202 HG LEU 28 HG LEU 28 39.665 8.831 2.113
203 HD11 LEU 28 HD11 LEU 28 41.051 10.563 2.530
204 HD12 LEU 28 HD12 LEU 28 39.725 11.612 2.039
205 HD13 LEU 28 HD13 LEU 28 40.952 11.136 0.868
206 HD21 LEU 28 HD21 LEU 28 37.451 9.161 1.539
207 HD22 LEU 28 HD22 LEU 28 37.842 10.287 0.239
208 HD23 LEU 28 HD23 LEU 28 37.887 10.826 1.916
209 H ARG 29 HN ARG 29 41.349 6.476 -1.080
210 HA ARG 29 HA ARG 29 41.315 7.028 -3.834
211 HB2 ARG 29 HB2 ARG 29 43.331 6.279 -2.611
212 HB3 ARG 29 HB1 ARG 29 42.606 4.681 -2.417
213 HG2 ARG 29 HG2 ARG 29 42.514 4.403 -4.853
214 HG3 ARG 29 HG1 ARG 29 43.176 6.023 -5.077
215 HD2 ARG 29 HD2 ARG 29 44.598 3.800 -3.592
216 HD3 ARG 29 HD1 ARG 29 44.884 4.197 -5.282
217 HE ARG 29 HE ARG 29 45.759 5.724 -2.971
218 HH11 ARG 29 HH21 ARG 29 45.085 5.676 -6.370
219 HH12 ARG 29 HH22 ARG 29 46.106 7.027 -6.729
220 HH21 ARG 29 HH11 ARG 29 47.106 7.500 -3.451
221 HH22 ARG 29 HH12 ARG 29 47.240 8.058 -5.083
222 H GLN 30 HN GLN 30 39.944 4.315 -2.005
223 HA GLN 30 HA GLN 30 39.152 2.845 -4.337
224 HB2 GLN 30 HB2 GLN 30 38.216 2.727 -1.461
225 HB3 GLN 30 HB1 GLN 30 37.747 1.573 -2.707
226 HG2 GLN 30 HG2 GLN 30 40.605 2.144 -1.863
227 HG3 GLN 30 HG1 GLN 30 39.653 0.760 -1.326
228 HE21 GLN 30 HE21 GLN 30 42.000 1.550 -3.547
229 HE22 GLN 30 HE22 GLN 30 41.638 0.405 -4.752
230 H ILE 31 HN ILE 31 37.548 5.033 -2.076
231 HA ILE 31 HA ILE 31 34.976 4.860 -3.188
232 HB ILE 31 HB ILE 31 36.316 7.017 -1.554
233 HG12 ILE 31 HG12 ILE 31 34.136 5.075 -0.759
234 HG13 ILE 31 HG11 ILE 31 35.845 4.655 -0.625
235 HG21 ILE 31 HG21 ILE 31 33.874 7.706 -1.135
236 HG22 ILE 31 HG22 ILE 31 33.477 6.760 -2.569
237 HG23 ILE 31 HG23 ILE 31 34.557 8.148 -2.699
238 HD11 ILE 31 HD11 ILE 31 36.253 6.333 0.984
239 HD12 ILE 31 HD12 ILE 31 34.679 5.692 1.452
240 HD13 ILE 31 HD13 ILE 31 34.785 7.215 0.567
241 H TYR 32 HN TYR 32 37.600 7.238 -3.889
242 HA TYR 32 HA TYR 32 36.057 8.827 -5.641
243 HB2 TYR 32 HB2 TYR 32 38.195 9.610 -4.797
244 HB3 TYR 32 HB1 TYR 32 39.027 8.273 -5.591
245 HD1 TYR 32 HD1 TYR 32 37.052 11.374 -6.211
246 HD2 TYR 32 HD2 TYR 32 39.561 8.321 -7.896
247 HE1 TYR 32 HE1 TYR 32 37.261 12.693 -8.305
248 HE2 TYR 32 HE2 TYR 32 39.767 9.636 -9.981
249 HH TYR 32 HH TYR 32 39.563 11.881 -10.749
250 H LEU 33 HN LEU 33 38.303 6.144 -6.304
251 HA LEU 33 HA LEU 33 37.914 6.094 -9.092
252 HB2 LEU 33 HB2 LEU 33 38.730 3.943 -7.136
253 HB3 LEU 33 HB1 LEU 33 38.738 3.709 -8.880
254 HG LEU 33 HG LEU 33 40.228 5.959 -7.491
255 HD11 LEU 33 HD11 LEU 33 41.394 3.362 -8.528
256 HD12 LEU 33 HD12 LEU 33 41.011 3.640 -6.831
257 HD13 LEU 33 HD13 LEU 33 42.229 4.630 -7.632
258 HD21 LEU 33 HD21 LEU 33 39.780 5.161 -10.291
259 HD22 LEU 33 HD22 LEU 33 41.487 5.332 -9.888
260 HD23 LEU 33 HD23 LEU 33 40.382 6.683 -9.638
261 H SER 34 HN SER 34 36.256 4.329 -6.454
262 HA SER 34 HA SER 34 34.607 2.734 -8.079
263 HB2 SER 34 HB2 SER 34 33.184 2.489 -6.127
264 HB3 SER 34 HB1 SER 34 34.865 2.474 -5.599
265 HG SER 34 HG SER 34 33.764 4.981 -5.740
266 H GLY 35 HN GLY 35 34.346 6.057 -6.980
267 HA2 GLY 35 HA2 GLY 35 31.683 6.493 -7.933
268 HA3 GLY 35 HA1 GLY 35 32.840 7.741 -7.472
269 H LEU 36 HN LEU 36 34.919 6.994 -9.211
270 HA LEU 36 HA LEU 36 34.292 8.459 -11.496
271 HB2 LEU 36 HB2 LEU 36 36.587 8.183 -10.708
272 HB3 LEU 36 HB1 LEU 36 36.521 6.458 -11.055
273 HG LEU 36 HG LEU 36 36.233 6.927 -13.453
274 HD11 LEU 36 HD11 LEU 36 36.720 9.467 -14.023
275 HD12 LEU 36 HD12 LEU 36 36.025 9.734 -12.425
276 HD13 LEU 36 HD13 LEU 36 35.078 8.930 -13.676
277 HD21 LEU 36 HD21 LEU 36 38.531 6.888 -12.307
278 HD22 LEU 36 HD22 LEU 36 38.506 8.646 -12.453
279 HD23 LEU 36 HD23 LEU 36 38.453 7.640 -13.901
280 H HIS 37 HN HIS 37 34.290 4.992 -10.910
281 HA HIS 37 HA HIS 37 33.760 4.274 -13.639
282 HB2 HIS 37 HB2 HIS 37 33.686 2.777 -11.023
283 HB3 HIS 37 HB1 HIS 37 33.209 2.026 -12.545
284 HD2 HIS 37 HD2 HIS 37 35.351 1.489 -14.330
285 HE1 HIS 37 HE1 HIS 37 38.430 2.780 -11.746
286 HE2 HIS 37 HE2 HIS 37 37.931 1.600 -13.937
287 H SER 38 HN SER 38 31.843 4.979 -10.790
288 HA SER 38 HA SER 38 29.361 3.918 -11.703
289 HB2 SER 38 HB2 SER 38 29.915 6.141 -9.728
290 HB3 SER 38 HB1 SER 38 28.336 5.407 -9.997
291 HG SER 38 HG SER 38 30.651 4.349 -8.826
292 H TRP 39 HN TRP 39 30.828 7.189 -11.983
293 HA TRP 39 HA TRP 39 28.551 8.365 -13.215
294 HB2 TRP 39 HB2 TRP 39 30.293 9.720 -12.129
295 HB3 TRP 39 HB1 TRP 39 31.469 9.179 -13.326
296 HD1 TRP 39 HD1 TRP 39 31.550 10.424 -15.574
297 HE1 TRP 39 HE1 TRP 39 30.178 12.327 -16.644
298 HE3 TRP 39 HE3 TRP 39 27.735 10.786 -12.189
299 HZ2 TRP 39 HZ2 TRP 39 27.787 13.804 -16.137
300 HZ3 TRP 39 HZ3 TRP 39 25.928 12.452 -12.512
301 HH2 TRP 39 HH2 TRP 39 25.951 13.959 -14.479
302 H LYS 40 HN LYS 40 31.043 6.287 -14.334
303 HA LYS 40 HA LYS 40 31.617 5.488 -16.413
304 HB2 LYS 40 HB2 LYS 40 28.767 6.278 -17.069
305 HB3 LYS 40 HB1 LYS 40 29.766 5.151 -17.984
306 HG2 LYS 40 HG2 LYS 40 29.121 4.725 -15.062
307 HG3 LYS 40 HG1 LYS 40 28.085 4.120 -16.351
308 HD2 LYS 40 HD2 LYS 40 30.003 2.837 -17.272
309 HD3 LYS 40 HD1 LYS 40 31.008 3.401 -15.940
310 HE2 LYS 40 HE2 LYS 40 29.505 2.363 -14.316
311 HE3 LYS 40 HE1 LYS 40 28.449 1.822 -15.621
312 HZ1 LYS 40 HZ1 LYS 40 29.691 -0.005 -15.638
313 HZ2 LYS 40 HZ2 LYS 40 30.902 0.694 -14.673
314 HZ3 LYS 40 HZ3 LYS 40 30.911 0.930 -16.355
315 H LYS 41 HN LYS 41 32.959 7.567 -16.363
316 HA LYS 41 HA LYS 41 32.214 9.815 -17.895
317 HB2 LYS 41 HB2 LYS 41 34.133 9.731 -16.304
318 HB3 LYS 41 HB1 LYS 41 34.998 8.713 -17.453
319 HG2 LYS 41 HG2 LYS 41 34.910 10.483 -19.137
320 HG3 LYS 41 HG1 LYS 41 33.959 11.500 -18.054
321 HD2 LYS 41 HD2 LYS 41 35.823 11.496 -16.428
322 HD3 LYS 41 HD1 LYS 41 36.776 10.499 -17.530
323 HE2 LYS 41 HE2 LYS 41 36.629 12.287 -19.244
324 HE3 LYS 41 HE1 LYS 41 35.729 13.285 -18.105
325 HZ1 LYS 41 HZ1 LYS 41 38.552 12.652 -18.175
326 HZ2 LYS 41 HZ2 LYS 41 37.839 12.603 -16.632
327 HZ3 LYS 41 HZ3 LYS 41 37.759 14.021 -17.562
328 H LYS 42 HN LYS 42 32.180 10.179 -20.039
329 HA LYS 42 HA LYS 42 32.353 8.002 -21.862
330 HB2 LYS 42 HB2 LYS 42 32.187 10.985 -22.319
331 HB3 LYS 42 HB1 LYS 42 32.016 9.767 -23.584
332 HG2 LYS 42 HG2 LYS 42 30.114 8.773 -22.402
333 HG3 LYS 42 HG1 LYS 42 30.294 9.946 -21.097
334 HD2 LYS 42 HD2 LYS 42 29.887 11.783 -22.717
335 HD3 LYS 42 HD1 LYS 42 29.641 10.582 -23.987
336 HE2 LYS 42 HE2 LYS 42 27.760 9.616 -22.737
337 HE3 LYS 42 HE1 LYS 42 28.013 10.783 -21.439
338 HZ1 LYS 42 HZ1 LYS 42 27.341 11.456 -24.250
339 HZ2 LYS 42 HZ2 LYS 42 27.573 12.570 -22.988
340 HZ3 LYS 42 HZ3 LYS 42 26.262 11.491 -22.943
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 52.267 -9.247 10.141
2 H2 MET 1 HT2 MET 1 53.305 -10.591 10.154
3 H3 MET 1 HT3 MET 1 52.179 -10.394 8.894
4 HA MET 1 HA MET 1 53.795 -8.090 9.068
5 HB2 MET 1 HB2 MET 1 55.240 -10.748 8.809
6 HB3 MET 1 HB1 MET 1 55.952 -9.173 8.458
7 HG2 MET 1 HG2 MET 1 54.763 -9.922 11.140
8 HG3 MET 1 HG1 MET 1 56.479 -10.031 10.769
9 HE1 MET 1 HE1 MET 1 57.855 -6.667 10.531
10 HE2 MET 1 HE2 MET 1 57.114 -7.187 9.020
11 HE3 MET 1 HE3 MET 1 57.905 -8.371 10.056
12 H ALA 2 HN ALA 2 53.324 -11.227 7.441
13 HA ALA 2 HA ALA 2 53.293 -9.848 4.842
14 HB1 ALA 2 HB1 ALA 2 54.385 -12.301 5.701
15 HB2 ALA 2 HB2 ALA 2 54.328 -11.669 4.055
16 HB3 ALA 2 HB3 ALA 2 53.030 -12.709 4.645
17 H GLU 3 HN GLU 3 51.532 -9.851 3.509
18 HA GLU 3 HA GLU 3 49.288 -9.824 2.977
19 HB2 GLU 3 HB2 GLU 3 49.534 -12.582 4.201
20 HB3 GLU 3 HB1 GLU 3 48.115 -12.010 3.320
21 HG2 GLU 3 HG2 GLU 3 49.395 -11.713 1.303
22 HG3 GLU 3 HG1 GLU 3 50.909 -12.026 2.152
23 H ALA 4 HN ALA 4 50.079 -8.766 5.603
24 HA ALA 4 HA ALA 4 47.597 -9.278 7.134
25 HB1 ALA 4 HB1 ALA 4 49.524 -9.939 8.414
26 HB2 ALA 4 HB2 ALA 4 48.918 -8.425 9.093
27 HB3 ALA 4 HB3 ALA 4 50.343 -8.418 8.052
28 H HIS 5 HN HIS 5 46.394 -7.551 7.873
29 HA HIS 5 HA HIS 5 47.327 -4.835 7.297
30 HB2 HIS 5 HB2 HIS 5 46.050 -5.644 5.291
31 HB3 HIS 5 HB1 HIS 5 44.636 -5.821 6.327
32 HD2 HIS 5 HD2 HIS 5 46.877 -2.916 4.864
33 HE1 HIS 5 HE1 HIS 5 43.396 -1.206 6.532
34 HE2 HIS 5 HE2 HIS 5 45.499 -0.723 5.195
35 H GLN 6 HN GLN 6 46.768 -3.450 8.868
36 HA GLN 6 HA GLN 6 44.563 -4.190 10.680
37 HB2 GLN 6 HB2 GLN 6 46.709 -4.807 11.730
38 HB3 GLN 6 HB1 GLN 6 47.283 -3.157 11.516
39 HG2 GLN 6 HG2 GLN 6 46.448 -3.500 13.808
40 HG3 GLN 6 HG1 GLN 6 45.453 -2.324 12.954
41 HE21 GLN 6 HE21 GLN 6 43.405 -2.701 13.887
42 HE22 GLN 6 HE22 GLN 6 42.624 -4.209 13.869
43 H ALA 7 HN ALA 7 43.224 -2.652 9.681
44 HA ALA 7 HA ALA 7 43.374 -0.043 10.787
45 HB1 ALA 7 HB1 ALA 7 43.411 0.652 8.053
46 HB2 ALA 7 HB2 ALA 7 44.766 -0.448 8.302
47 HB3 ALA 7 HB3 ALA 7 44.634 1.018 9.271
48 H VAL 8 HN VAL 8 41.619 1.382 9.918
49 HA VAL 8 HA VAL 8 39.358 -0.238 8.902
50 HB VAL 8 HB VAL 8 39.428 1.909 11.023
51 HG11 VAL 8 HG11 VAL 8 37.215 1.023 9.214
52 HG12 VAL 8 HG12 VAL 8 37.527 2.617 9.910
53 HG13 VAL 8 HG13 VAL 8 36.826 1.338 10.907
54 HG21 VAL 8 HG21 VAL 8 37.995 -0.736 11.120
55 HG22 VAL 8 HG22 VAL 8 38.630 0.232 12.452
56 HG23 VAL 8 HG23 VAL 8 39.733 -0.670 11.415
57 H ALA 9 HN ALA 9 38.385 0.484 7.125
58 HA ALA 9 HA ALA 9 39.396 2.753 5.719
59 HB1 ALA 9 HB1 ALA 9 37.020 0.946 5.258
60 HB2 ALA 9 HB2 ALA 9 38.577 0.907 4.435
61 HB3 ALA 9 HB3 ALA 9 37.468 2.250 4.159
62 H PHE 10 HN PHE 10 36.327 2.076 7.413
63 HA PHE 10 HA PHE 10 35.937 4.972 7.700
64 HB2 PHE 10 HB2 PHE 10 34.587 4.530 5.828
65 HB3 PHE 10 HB1 PHE 10 34.056 2.982 6.461
66 HD1 PHE 10 HD1 PHE 10 34.127 6.098 8.526
67 HD2 PHE 10 HD2 PHE 10 31.725 3.395 6.201
68 HE1 PHE 10 HE1 PHE 10 32.077 7.122 9.452
69 HE2 PHE 10 HE2 PHE 10 29.673 4.433 7.120
70 HZ PHE 10 HZ PHE 10 29.847 6.296 8.746
71 H GLN 11 HN GLN 11 35.424 5.477 9.770
72 HA GLN 11 HA GLN 11 34.130 3.409 11.450
73 HB2 GLN 11 HB2 GLN 11 36.502 3.505 12.047
74 HB3 GLN 11 HB1 GLN 11 36.376 5.242 12.313
75 HG2 GLN 11 HG2 GLN 11 34.764 4.876 14.123
76 HG3 GLN 11 HG1 GLN 11 34.793 3.139 13.817
77 HE21 GLN 11 HE21 GLN 11 35.526 4.298 16.365
78 HE22 GLN 11 HE22 GLN 11 37.177 3.995 16.617
79 H PHE 12 HN PHE 12 32.455 4.037 12.649
80 HA PHE 12 HA PHE 12 31.895 6.933 12.823
81 HB2 PHE 12 HB2 PHE 12 30.323 6.134 11.267
82 HB3 PHE 12 HB1 PHE 12 30.127 4.608 12.108
83 HD1 PHE 12 HD1 PHE 12 30.076 7.894 13.861
84 HD2 PHE 12 HD2 PHE 12 27.725 4.686 12.250
85 HE1 PHE 12 HE1 PHE 12 28.103 8.737 15.077
86 HE2 PHE 12 HE2 PHE 12 25.739 5.552 13.455
87 HZ PHE 12 HZ PHE 12 25.930 7.576 14.866
88 H THR 13 HN THR 13 31.810 7.606 14.873
89 HA THR 13 HA THR 13 30.918 5.700 16.960
90 HB THR 13 HB THR 13 32.867 7.828 17.650
91 HG1 THR 13 HG1 THR 13 34.492 6.837 16.721
92 HG21 THR 13 HG21 THR 13 32.440 4.973 18.560
93 HG22 THR 13 HG22 THR 13 31.861 6.421 19.383
94 HG23 THR 13 HG23 THR 13 33.591 6.109 19.261
95 H VAL 14 HN VAL 14 29.399 6.365 18.265
96 HA VAL 14 HA VAL 14 28.450 9.123 17.998
97 HB VAL 14 HB VAL 14 26.784 7.379 17.635
98 HG11 VAL 14 HG11 VAL 14 26.643 5.514 18.904
99 HG12 VAL 14 HG12 VAL 14 26.643 6.448 20.399
100 HG13 VAL 14 HG13 VAL 14 28.169 6.017 19.628
101 HG21 VAL 14 HG21 VAL 14 25.096 8.259 19.058
102 HG22 VAL 14 HG22 VAL 14 26.274 9.563 18.903
103 HG23 VAL 14 HG23 VAL 14 26.246 8.567 20.359
104 H THR 15 HN THR 15 28.848 10.598 19.550
105 HA THR 15 HA THR 15 29.588 9.605 22.241
106 HB THR 15 HB THR 15 30.598 12.098 22.233
107 HG1 THR 15 HG1 THR 15 31.654 11.893 19.928
108 HG21 THR 15 HG21 THR 15 32.045 10.360 22.820
109 HG22 THR 15 HG22 THR 15 32.762 10.957 21.321
110 HG23 THR 15 HG23 THR 15 31.775 9.495 21.303
111 HA PRO 16 HA PRO 16 26.078 11.765 23.808
112 HB2 PRO 16 HB2 PRO 16 27.183 13.155 25.959
113 HB3 PRO 16 HB1 PRO 16 26.667 11.457 26.009
114 HG2 PRO 16 HG2 PRO 16 29.398 12.597 25.646
115 HG3 PRO 16 HG1 PRO 16 28.882 11.167 26.559
116 HD2 PRO 16 HD2 PRO 16 30.057 10.925 24.148
117 HD3 PRO 16 HD1 PRO 16 28.755 9.824 24.650
118 H ASP 17 HN ASP 17 29.035 13.468 23.007
119 HA ASP 17 HA ASP 17 27.771 16.080 22.987
120 HB2 ASP 17 HB2 ASP 17 29.961 16.812 22.081
121 HB3 ASP 17 HB1 ASP 17 30.109 15.932 23.602
122 H GLY 18 HN GLY 18 28.115 13.425 20.737
123 HA2 GLY 18 HA2 GLY 18 26.476 14.411 18.802
124 HA3 GLY 18 HA1 GLY 18 28.030 15.119 18.376
125 H ILE 19 HN ILE 19 28.536 13.986 16.525
126 HA ILE 19 HA ILE 19 28.895 11.084 16.814
127 HB ILE 19 HB ILE 19 28.265 10.943 14.376
128 HG12 ILE 19 HG12 ILE 19 27.111 13.698 14.879
129 HG13 ILE 19 HG11 ILE 19 28.559 13.389 13.921
130 HG21 ILE 19 HG21 ILE 19 26.046 11.990 16.142
131 HG22 ILE 19 HG22 ILE 19 26.727 10.371 16.299
132 HG23 ILE 19 HG23 ILE 19 25.899 10.841 14.815
133 HD11 ILE 19 HD11 ILE 19 26.424 11.650 13.051
134 HD12 ILE 19 HD12 ILE 19 27.311 12.859 12.122
135 HD13 ILE 19 HD13 ILE 19 25.876 13.328 13.034
136 H ASP 20 HN ASP 20 30.612 10.255 15.700
137 HA ASP 20 HA ASP 20 32.526 12.194 14.532
138 HB2 ASP 20 HB2 ASP 20 33.079 9.839 16.355
139 HB3 ASP 20 HB1 ASP 20 34.329 10.689 15.449
140 H LEU 21 HN LEU 21 33.365 11.623 12.548
141 HA LEU 21 HA LEU 21 32.948 8.837 11.652
142 HB2 LEU 21 HB2 LEU 21 32.537 11.315 9.941
143 HB3 LEU 21 HB1 LEU 21 32.273 9.644 9.457
144 HG LEU 21 HG LEU 21 30.747 10.875 11.764
145 HD11 LEU 21 HD11 LEU 21 28.906 11.251 10.109
146 HD12 LEU 21 HD12 LEU 21 30.042 10.872 8.813
147 HD13 LEU 21 HD13 LEU 21 30.303 12.291 9.829
148 HD21 LEU 21 HD21 LEU 21 30.687 8.424 11.561
149 HD22 LEU 21 HD22 LEU 21 30.214 8.560 9.872
150 HD23 LEU 21 HD23 LEU 21 29.118 9.100 11.141
151 H ARG 22 HN ARG 22 34.843 8.017 11.141
152 HA ARG 22 HA ARG 22 36.992 9.829 10.184
153 HB2 ARG 22 HB2 ARG 22 37.200 7.396 11.968
154 HB3 ARG 22 HB1 ARG 22 38.584 8.247 11.281
155 HG2 ARG 22 HG2 ARG 22 37.885 10.322 12.397
156 HG3 ARG 22 HG1 ARG 22 36.473 9.504 13.062
157 HD2 ARG 22 HD2 ARG 22 37.961 7.940 14.280
158 HD3 ARG 22 HD1 ARG 22 39.363 8.781 13.628
159 HE ARG 22 HE ARG 22 38.938 10.569 15.090
160 HH11 ARG 22 HH21 ARG 22 36.415 8.187 15.152
161 HH12 ARG 22 HH22 ARG 22 35.672 8.819 16.581
162 HH21 ARG 22 HH11 ARG 22 37.958 11.390 16.973
163 HH22 ARG 22 HH12 ARG 22 36.541 10.625 17.610
164 H LEU 23 HN LEU 23 38.084 9.310 8.358
165 HA LEU 23 HA LEU 23 37.713 6.609 7.289
166 HB2 LEU 23 HB2 LEU 23 37.340 9.135 5.663
167 HB3 LEU 23 HB1 LEU 23 37.282 7.484 5.055
168 HG LEU 23 HG LEU 23 35.445 7.286 7.021
169 HD11 LEU 23 HD11 LEU 23 34.835 10.012 5.917
170 HD12 LEU 23 HD12 LEU 23 35.887 9.878 7.326
171 HD13 LEU 23 HD13 LEU 23 34.241 9.252 7.393
172 HD21 LEU 23 HD21 LEU 23 33.756 7.789 5.175
173 HD22 LEU 23 HD22 LEU 23 35.004 6.617 4.754
174 HD23 LEU 23 HD23 LEU 23 35.125 8.277 4.178
175 H SER 24 HN SER 24 39.531 5.784 6.448
176 HA SER 24 HA SER 24 41.982 7.273 6.648
177 HB2 SER 24 HB2 SER 24 43.083 5.272 6.169
178 HB3 SER 24 HB1 SER 24 41.606 4.718 6.954
179 HG SER 24 HG SER 24 40.725 4.519 4.795
180 H HIS 25 HN HIS 25 43.439 7.732 4.936
181 HA HIS 25 HA HIS 25 42.331 9.060 2.737
182 HB2 HIS 25 HB2 HIS 25 45.117 7.943 3.112
183 HB3 HIS 25 HB1 HIS 25 44.652 9.060 1.828
184 HD2 HIS 25 HD2 HIS 25 43.877 11.689 2.780
185 HE1 HIS 25 HE1 HIS 25 45.497 11.132 6.639
186 HE2 HIS 25 HE2 HIS 25 44.536 12.843 5.028
187 H GLU 26 HN GLU 26 43.245 5.759 3.186
188 HA GLU 26 HA GLU 26 43.328 4.972 0.450
189 HB2 GLU 26 HB2 GLU 26 44.273 3.596 2.300
190 HB3 GLU 26 HB1 GLU 26 42.630 3.276 2.859
191 HG2 GLU 26 HG2 GLU 26 42.072 2.238 0.706
192 HG3 GLU 26 HG1 GLU 26 43.688 2.594 0.101
193 H ALA 27 HN ALA 27 40.801 5.119 2.896
194 HA ALA 27 HA ALA 27 38.756 3.835 1.470
195 HB1 ALA 27 HB1 ALA 27 38.101 6.161 3.223
196 HB2 ALA 27 HB2 ALA 27 38.894 4.762 3.947
197 HB3 ALA 27 HB3 ALA 27 37.342 4.571 3.131
198 H LEU 28 HN LEU 28 40.029 7.058 1.333
199 HA LEU 28 HA LEU 28 37.960 8.207 -0.291
200 HB2 LEU 28 HB2 LEU 28 40.811 9.051 0.254
201 HB3 LEU 28 HB1 LEU 28 39.713 9.985 -0.756
202 HG LEU 28 HG LEU 28 39.112 9.172 2.105
203 HD11 LEU 28 HD11 LEU 28 40.850 11.229 1.098
204 HD12 LEU 28 HD12 LEU 28 40.447 10.850 2.772
205 HD13 LEU 28 HD13 LEU 28 39.446 11.977 1.860
206 HD21 LEU 28 HD21 LEU 28 37.559 11.312 1.638
207 HD22 LEU 28 HD22 LEU 28 37.028 9.676 1.258
208 HD23 LEU 28 HD23 LEU 28 37.672 10.711 -0.012
209 H ARG 29 HN ARG 29 41.064 6.687 -0.955
210 HA ARG 29 HA ARG 29 41.168 7.241 -3.714
211 HB2 ARG 29 HB2 ARG 29 42.386 5.041 -2.042
212 HB3 ARG 29 HB1 ARG 29 42.737 5.256 -3.758
213 HG2 ARG 29 HG2 ARG 29 43.570 7.513 -3.346
214 HG3 ARG 29 HG1 ARG 29 43.118 7.398 -1.645
215 HD2 ARG 29 HD2 ARG 29 45.516 6.950 -1.891
216 HD3 ARG 29 HD1 ARG 29 44.681 5.488 -1.376
217 HE ARG 29 HE ARG 29 45.074 4.542 -3.489
218 HH11 ARG 29 HH21 ARG 29 46.100 7.854 -3.297
219 HH12 ARG 29 HH22 ARG 29 46.993 7.799 -4.780
220 HH21 ARG 29 HH11 ARG 29 46.236 4.481 -5.434
221 HH22 ARG 29 HH12 ARG 29 47.068 5.897 -5.988
222 H GLN 30 HN GLN 30 39.685 4.554 -1.938
223 HA GLN 30 HA GLN 30 39.068 3.036 -4.275
224 HB2 GLN 30 HB2 GLN 30 37.939 2.985 -1.469
225 HB3 GLN 30 HB1 GLN 30 37.524 1.813 -2.723
226 HG2 GLN 30 HG2 GLN 30 39.882 1.181 -2.947
227 HG3 GLN 30 HG1 GLN 30 40.332 2.377 -1.733
228 HE21 GLN 30 HE21 GLN 30 41.186 0.130 -0.786
229 HE22 GLN 30 HE22 GLN 30 40.104 -0.664 0.254
230 H ILE 31 HN ILE 31 37.305 5.398 -2.311
231 HA ILE 31 HA ILE 31 34.836 5.114 -3.633
232 HB ILE 31 HB ILE 31 36.008 7.443 -2.108
233 HG12 ILE 31 HG12 ILE 31 33.823 5.481 -1.346
234 HG13 ILE 31 HG11 ILE 31 35.516 5.238 -0.921
235 HG21 ILE 31 HG21 ILE 31 33.358 7.041 -3.468
236 HG22 ILE 31 HG22 ILE 31 34.367 8.486 -3.410
237 HG23 ILE 31 HG23 ILE 31 33.443 8.000 -1.992
238 HD11 ILE 31 HD11 ILE 31 35.466 6.840 0.697
239 HD12 ILE 31 HD12 ILE 31 33.720 6.607 0.629
240 HD13 ILE 31 HD13 ILE 31 34.468 7.921 -0.277
241 H TYR 32 HN TYR 32 37.515 7.453 -4.291
242 HA TYR 32 HA TYR 32 36.154 8.856 -6.328
243 HB2 TYR 32 HB2 TYR 32 38.139 9.764 -5.291
244 HB3 TYR 32 HB1 TYR 32 39.110 8.411 -5.867
245 HD1 TYR 32 HD2 TYR 32 36.782 11.043 -7.194
246 HD2 TYR 32 HD1 TYR 32 40.320 8.687 -7.849
247 HE1 TYR 32 HE2 TYR 32 37.204 12.263 -9.314
248 HE2 TYR 32 HE1 TYR 32 40.737 9.904 -9.967
249 HH TYR 32 HH TYR 32 38.997 11.259 -11.682
250 H LEU 33 HN LEU 33 38.462 6.143 -6.549
251 HA LEU 33 HA LEU 33 38.386 5.888 -9.359
252 HB2 LEU 33 HB2 LEU 33 38.988 3.913 -7.155
253 HB3 LEU 33 HB1 LEU 33 39.155 3.510 -8.859
254 HG LEU 33 HG LEU 33 40.511 5.888 -7.561
255 HD11 LEU 33 HD11 LEU 33 41.286 3.016 -7.728
256 HD12 LEU 33 HD12 LEU 33 41.679 4.219 -6.500
257 HD13 LEU 33 HD13 LEU 33 42.551 4.210 -8.032
258 HD21 LEU 33 HD21 LEU 33 42.002 5.143 -9.740
259 HD22 LEU 33 HD22 LEU 33 40.767 6.401 -9.767
260 HD23 LEU 33 HD23 LEU 33 40.375 4.767 -10.299
261 H SER 34 HN SER 34 36.445 4.349 -6.798
262 HA SER 34 HA SER 34 34.966 2.594 -8.412
263 HB2 SER 34 HB2 SER 34 34.992 2.488 -5.956
264 HB3 SER 34 HB1 SER 34 34.140 4.029 -5.879
265 HG SER 34 HG SER 34 33.220 1.616 -7.065
266 H GLY 35 HN GLY 35 34.503 5.979 -7.584
267 HA2 GLY 35 HA2 GLY 35 31.929 6.274 -8.766
268 HA3 GLY 35 HA1 GLY 35 33.020 7.578 -8.313
269 H LEU 36 HN LEU 36 35.233 6.696 -9.936
270 HA LEU 36 HA LEU 36 34.652 8.049 -12.314
271 HB2 LEU 36 HB2 LEU 36 36.909 6.294 -11.435
272 HB3 LEU 36 HB1 LEU 36 36.833 6.860 -13.101
273 HG LEU 36 HG LEU 36 36.627 8.710 -10.711
274 HD11 LEU 36 HD11 LEU 36 39.063 9.254 -11.667
275 HD12 LEU 36 HD12 LEU 36 38.989 7.552 -12.127
276 HD13 LEU 36 HD13 LEU 36 38.811 8.017 -10.433
277 HD21 LEU 36 HD21 LEU 36 36.122 10.230 -12.302
278 HD22 LEU 36 HD22 LEU 36 36.345 9.040 -13.579
279 HD23 LEU 36 HD23 LEU 36 37.721 9.970 -12.995
280 H HIS 37 HN HIS 37 34.647 4.615 -11.538
281 HA HIS 37 HA HIS 37 34.234 3.736 -14.246
282 HB2 HIS 37 HB2 HIS 37 33.972 2.403 -11.548
283 HB3 HIS 37 HB1 HIS 37 33.569 1.576 -13.051
284 HD2 HIS 37 HD2 HIS 37 35.763 0.616 -14.469
285 HE1 HIS 37 HE1 HIS 37 38.770 2.393 -12.099
286 HE2 HIS 37 HE2 HIS 37 38.330 0.786 -14.016
287 H SER 38 HN SER 38 32.250 4.621 -11.517
288 HA SER 38 HA SER 38 29.773 3.569 -12.394
289 HB2 SER 38 HB2 SER 38 30.360 5.966 -10.645
290 HB3 SER 38 HB1 SER 38 28.767 5.248 -10.859
291 HG SER 38 HG SER 38 31.093 3.917 -9.908
292 H TRP 39 HN TRP 39 31.289 6.793 -12.886
293 HA TRP 39 HA TRP 39 29.087 7.824 -14.349
294 HB2 TRP 39 HB2 TRP 39 30.737 9.287 -13.285
295 HB3 TRP 39 HB1 TRP 39 31.990 8.667 -14.357
296 HD1 TRP 39 HD1 TRP 39 32.321 9.935 -16.532
297 HE1 TRP 39 HE1 TRP 39 30.957 11.639 -17.902
298 HE3 TRP 39 HE3 TRP 39 27.999 9.987 -13.814
299 HZ2 TRP 39 HZ2 TRP 39 28.371 12.865 -17.848
300 HZ3 TRP 39 HZ3 TRP 39 26.103 11.429 -14.496
301 HH2 TRP 39 HH2 TRP 39 26.284 12.865 -16.507
302 H LYS 40 HN LYS 40 32.007 6.059 -15.259
303 HA LYS 40 HA LYS 40 31.485 6.391 -18.098
304 HB2 LYS 40 HB2 LYS 40 33.545 4.773 -16.583
305 HB3 LYS 40 HB1 LYS 40 33.446 4.842 -18.346
306 HG2 LYS 40 HG2 LYS 40 33.694 7.292 -18.270
307 HG3 LYS 40 HG1 LYS 40 33.788 7.232 -16.514
308 HD2 LYS 40 HD2 LYS 40 35.821 5.825 -16.682
309 HD3 LYS 40 HD1 LYS 40 35.740 5.946 -18.442
310 HE2 LYS 40 HE2 LYS 40 35.927 8.329 -16.584
311 HE3 LYS 40 HE1 LYS 40 37.305 7.613 -17.420
312 HZ1 LYS 40 HZ1 LYS 40 36.480 8.226 -19.479
313 HZ2 LYS 40 HZ2 LYS 40 36.117 9.575 -18.512
314 HZ3 LYS 40 HZ3 LYS 40 34.901 8.457 -18.904
315 H LYS 41 HN LYS 41 30.724 4.861 -19.510
316 HA LYS 41 HA LYS 41 29.151 2.709 -18.316
317 HB2 LYS 41 HB2 LYS 41 29.321 3.756 -21.155
318 HB3 LYS 41 HB1 LYS 41 28.248 2.456 -20.632
319 HG2 LYS 41 HG2 LYS 41 27.189 3.981 -19.004
320 HG3 LYS 41 HG1 LYS 41 28.259 5.279 -19.523
321 HD2 LYS 41 HD2 LYS 41 27.320 5.169 -21.795
322 HD3 LYS 41 HD1 LYS 41 26.254 3.851 -21.295
323 HE2 LYS 41 HE2 LYS 41 25.213 5.332 -19.612
324 HE3 LYS 41 HE1 LYS 41 26.272 6.649 -20.112
325 HZ1 LYS 41 HZ1 LYS 41 25.143 5.790 -22.434
326 HZ2 LYS 41 HZ2 LYS 41 24.675 7.158 -21.544
327 HZ3 LYS 41 HZ3 LYS 41 23.866 5.681 -21.323
328 H LYS 42 HN LYS 42 29.239 0.532 -19.103
329 HA LYS 42 HA LYS 42 31.854 -0.230 -20.268
330 HB2 LYS 42 HB2 LYS 42 30.299 -1.568 -18.047
331 HB3 LYS 42 HB1 LYS 42 31.688 -2.297 -18.857
332 HG2 LYS 42 HG2 LYS 42 33.088 -0.381 -18.205
333 HG3 LYS 42 HG1 LYS 42 31.705 0.363 -17.402
334 HD2 LYS 42 HD2 LYS 42 31.550 -1.583 -15.883
335 HD3 LYS 42 HD1 LYS 42 32.949 -2.305 -16.681
336 HE2 LYS 42 HE2 LYS 42 34.345 -0.400 -16.035
337 HE3 LYS 42 HE1 LYS 42 32.955 0.390 -15.287
338 HZ1 LYS 42 HZ1 LYS 42 32.957 -1.040 -13.543
339 HZ2 LYS 42 HZ2 LYS 42 34.619 -1.082 -13.906
340 HZ3 LYS 42 HZ3 LYS 42 33.597 -2.333 -14.438
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 22.876 -12.146 3.239
2 H2 MET 1 HT2 MET 1 24.048 -12.497 2.059
3 H3 MET 1 HT3 MET 1 23.986 -10.954 2.768
4 HA MET 1 HA MET 1 24.355 -12.229 4.969
5 HB2 MET 1 HB2 MET 1 25.470 -14.112 2.860
6 HB3 MET 1 HB1 MET 1 25.755 -14.254 4.593
7 HG2 MET 1 HG2 MET 1 23.047 -14.387 3.228
8 HG3 MET 1 HG1 MET 1 23.936 -15.765 3.866
9 HE1 MET 1 HE1 MET 1 24.854 -15.911 5.988
10 HE2 MET 1 HE2 MET 1 23.711 -15.952 7.327
11 HE3 MET 1 HE3 MET 1 24.829 -14.600 7.174
12 H ALA 2 HN ALA 2 25.467 -10.320 5.252
13 HA ALA 2 HA ALA 2 27.621 -9.464 3.583
14 HB1 ALA 2 HB1 ALA 2 27.678 -7.591 4.891
15 HB2 ALA 2 HB2 ALA 2 27.439 -8.495 6.387
16 HB3 ALA 2 HB3 ALA 2 26.069 -8.168 5.326
17 H GLU 3 HN GLU 3 29.823 -9.404 3.993
18 HA GLU 3 HA GLU 3 30.789 -11.390 5.960
19 HB2 GLU 3 HB2 GLU 3 31.910 -10.562 3.277
20 HB3 GLU 3 HB1 GLU 3 32.776 -11.581 4.427
21 HG2 GLU 3 HG2 GLU 3 30.929 -13.219 4.370
22 HG3 GLU 3 HG1 GLU 3 30.064 -12.201 3.219
23 H ALA 4 HN ALA 4 31.889 -10.589 7.611
24 HA ALA 4 HA ALA 4 32.650 -7.833 7.758
25 HB1 ALA 4 HB1 ALA 4 33.213 -10.183 9.580
26 HB2 ALA 4 HB2 ALA 4 31.948 -8.969 9.771
27 HB3 ALA 4 HB3 ALA 4 33.642 -8.515 9.955
28 H HIS 5 HN HIS 5 34.720 -6.942 7.890
29 HA HIS 5 HA HIS 5 36.926 -8.639 6.874
30 HB2 HIS 5 HB2 HIS 5 36.324 -5.746 6.218
31 HB3 HIS 5 HB1 HIS 5 37.786 -6.602 5.733
32 HD2 HIS 5 HD2 HIS 5 34.209 -6.079 4.473
33 HE1 HIS 5 HE1 HIS 5 35.734 -9.369 2.312
34 HE2 HIS 5 HE2 HIS 5 33.829 -7.697 2.461
35 H GLN 6 HN GLN 6 38.896 -8.414 7.879
36 HA GLN 6 HA GLN 6 38.933 -7.354 10.503
37 HB2 GLN 6 HB2 GLN 6 41.187 -8.231 8.684
38 HB3 GLN 6 HB1 GLN 6 41.404 -7.781 10.376
39 HG2 GLN 6 HG2 GLN 6 39.820 -9.534 11.058
40 HG3 GLN 6 HG1 GLN 6 39.580 -9.983 9.371
41 HE21 GLN 6 HE21 GLN 6 40.656 -11.955 9.096
42 HE22 GLN 6 HE22 GLN 6 42.237 -12.272 9.629
43 H ALA 7 HN ALA 7 40.100 -6.116 7.400
44 HA ALA 7 HA ALA 7 41.395 -3.816 8.496
45 HB1 ALA 7 HB1 ALA 7 40.763 -3.157 5.890
46 HB2 ALA 7 HB2 ALA 7 40.847 -4.918 5.845
47 HB3 ALA 7 HB3 ALA 7 42.230 -3.984 6.413
48 H VAL 8 HN VAL 8 40.697 -1.716 8.671
49 HA VAL 8 HA VAL 8 37.808 -1.221 8.251
50 HB VAL 8 HB VAL 8 39.574 -0.403 10.565
51 HG11 VAL 8 HG11 VAL 8 37.122 0.554 11.195
52 HG12 VAL 8 HG12 VAL 8 37.099 0.794 9.448
53 HG13 VAL 8 HG13 VAL 8 38.370 1.533 10.425
54 HG21 VAL 8 HG21 VAL 8 38.351 -1.877 11.820
55 HG22 VAL 8 HG22 VAL 8 38.089 -2.658 10.259
56 HG23 VAL 8 HG23 VAL 8 36.868 -1.569 10.918
57 H ALA 9 HN ALA 9 37.341 0.570 7.086
58 HA ALA 9 HA ALA 9 39.516 2.522 6.609
59 HB1 ALA 9 HB1 ALA 9 37.820 2.649 4.411
60 HB2 ALA 9 HB2 ALA 9 37.937 0.924 4.760
61 HB3 ALA 9 HB3 ALA 9 39.399 1.864 4.464
62 H PHE 10 HN PHE 10 36.331 1.966 7.666
63 HA PHE 10 HA PHE 10 35.867 4.853 7.831
64 HB2 PHE 10 HB2 PHE 10 33.338 4.028 7.409
65 HB3 PHE 10 HB1 PHE 10 34.384 4.626 6.137
66 HD1 PHE 10 HD1 PHE 10 34.820 1.240 7.732
67 HD2 PHE 10 HD2 PHE 10 33.375 3.465 4.348
68 HE1 PHE 10 HE1 PHE 10 34.607 -0.852 6.450
69 HE2 PHE 10 HE2 PHE 10 33.145 1.355 3.075
70 HZ PHE 10 HZ PHE 10 33.759 -0.802 4.124
71 H GLN 11 HN GLN 11 35.290 5.488 9.858
72 HA GLN 11 HA GLN 11 33.956 3.475 11.583
73 HB2 GLN 11 HB2 GLN 11 36.300 5.216 12.318
74 HB3 GLN 11 HB1 GLN 11 35.307 4.374 13.501
75 HG2 GLN 11 HG2 GLN 11 35.845 2.226 12.449
76 HG3 GLN 11 HG1 GLN 11 36.797 3.054 11.219
77 HE21 GLN 11 HE21 GLN 11 37.170 1.345 14.029
78 HE22 GLN 11 HE22 GLN 11 38.607 2.044 14.601
79 H PHE 12 HN PHE 12 32.273 4.129 12.745
80 HA PHE 12 HA PHE 12 31.769 7.030 12.960
81 HB2 PHE 12 HB2 PHE 12 30.184 6.348 11.397
82 HB3 PHE 12 HB1 PHE 12 29.984 4.766 12.131
83 HD1 PHE 12 HD1 PHE 12 29.899 7.971 14.071
84 HD2 PHE 12 HD2 PHE 12 27.608 4.810 12.279
85 HE1 PHE 12 HE1 PHE 12 27.888 8.721 15.307
86 HE2 PHE 12 HE2 PHE 12 25.597 5.578 13.501
87 HZ PHE 12 HZ PHE 12 25.733 7.534 15.014
88 H THR 13 HN THR 13 31.732 7.648 15.035
89 HA THR 13 HA THR 13 30.797 5.692 17.072
90 HB THR 13 HB THR 13 32.719 7.769 17.916
91 HG1 THR 13 HG1 THR 13 33.288 6.362 15.826
92 HG21 THR 13 HG21 THR 13 31.702 6.093 19.443
93 HG22 THR 13 HG22 THR 13 33.460 5.959 19.377
94 HG23 THR 13 HG23 THR 13 32.454 4.809 18.495
95 H VAL 14 HN VAL 14 29.255 6.338 18.396
96 HA VAL 14 HA VAL 14 28.365 9.130 18.234
97 HB VAL 14 HB VAL 14 26.667 7.404 17.816
98 HG11 VAL 14 HG11 VAL 14 28.007 5.960 19.733
99 HG12 VAL 14 HG12 VAL 14 26.398 5.570 19.124
100 HG13 VAL 14 HG13 VAL 14 26.576 6.494 20.615
101 HG21 VAL 14 HG21 VAL 14 25.724 8.241 20.453
102 HG22 VAL 14 HG22 VAL 14 25.125 8.692 18.857
103 HG23 VAL 14 HG23 VAL 14 26.482 9.566 19.570
104 H THR 15 HN THR 15 28.818 10.534 19.845
105 HA THR 15 HA THR 15 29.472 9.391 22.492
106 HB THR 15 HB THR 15 30.741 11.807 22.497
107 HG1 THR 15 HG1 THR 15 31.655 10.918 20.092
108 HG21 THR 15 HG21 THR 15 32.815 10.448 21.980
109 HG22 THR 15 HG22 THR 15 31.748 9.089 21.624
110 HG23 THR 15 HG23 THR 15 31.788 9.775 23.248
111 HA PRO 16 HA PRO 16 26.239 11.829 24.278
112 HB2 PRO 16 HB2 PRO 16 28.213 13.184 26.037
113 HB3 PRO 16 HB1 PRO 16 26.769 12.256 26.475
114 HG2 PRO 16 HG2 PRO 16 29.314 11.343 26.753
115 HG3 PRO 16 HG1 PRO 16 27.898 10.301 26.557
116 HD2 PRO 16 HD2 PRO 16 30.079 10.834 24.656
117 HD3 PRO 16 HD1 PRO 16 28.875 9.527 24.663
118 H ASP 17 HN ASP 17 29.321 13.482 23.506
119 HA ASP 17 HA ASP 17 28.130 16.083 23.323
120 HB2 ASP 17 HB2 ASP 17 30.816 14.986 22.495
121 HB3 ASP 17 HB1 ASP 17 30.354 16.671 22.260
122 H GLY 18 HN GLY 18 28.321 13.396 21.064
123 HA2 GLY 18 HA2 GLY 18 26.643 14.437 19.210
124 HA3 GLY 18 HA1 GLY 18 28.191 15.121 18.730
125 H ILE 19 HN ILE 19 28.673 14.008 16.888
126 HA ILE 19 HA ILE 19 28.981 11.098 17.118
127 HB ILE 19 HB ILE 19 28.211 10.945 14.757
128 HG12 ILE 19 HG12 ILE 19 27.284 13.794 15.196
129 HG13 ILE 19 HG11 ILE 19 28.649 13.332 14.182
130 HG21 ILE 19 HG21 ILE 19 25.784 12.071 15.781
131 HG22 ILE 19 HG22 ILE 19 26.647 11.291 17.107
132 HG23 ILE 19 HG23 ILE 19 26.234 10.371 15.660
133 HD11 ILE 19 HD11 ILE 19 25.849 13.339 13.524
134 HD12 ILE 19 HD12 ILE 19 26.481 11.699 13.384
135 HD13 ILE 19 HD13 ILE 19 27.228 13.013 12.477
136 H ASP 20 HN ASP 20 30.636 10.279 15.885
137 HA ASP 20 HA ASP 20 32.497 12.248 14.681
138 HB2 ASP 20 HB2 ASP 20 33.308 11.432 16.883
139 HB3 ASP 20 HB1 ASP 20 33.273 9.787 16.254
140 H LEU 21 HN LEU 21 33.391 11.684 12.723
141 HA LEU 21 HA LEU 21 32.836 8.963 11.722
142 HB2 LEU 21 HB2 LEU 21 32.434 11.571 10.212
143 HB3 LEU 21 HB1 LEU 21 32.286 9.963 9.514
144 HG LEU 21 HG LEU 21 30.617 10.952 11.843
145 HD11 LEU 21 HD11 LEU 21 30.412 11.480 8.982
146 HD12 LEU 21 HD12 LEU 21 29.505 12.186 10.319
147 HD13 LEU 21 HD13 LEU 21 28.974 10.665 9.602
148 HD21 LEU 21 HD21 LEU 21 29.151 9.004 10.812
149 HD22 LEU 21 HD22 LEU 21 30.469 8.634 11.916
150 HD23 LEU 21 HD23 LEU 21 30.701 8.446 10.183
151 H ARG 22 HN ARG 22 34.723 8.105 11.198
152 HA ARG 22 HA ARG 22 36.902 9.890 10.260
153 HB2 ARG 22 HB2 ARG 22 37.063 7.320 11.830
154 HB3 ARG 22 HB1 ARG 22 38.458 8.135 11.131
155 HG2 ARG 22 HG2 ARG 22 38.008 10.131 12.446
156 HG3 ARG 22 HG1 ARG 22 36.517 9.424 13.069
157 HD2 ARG 22 HD2 ARG 22 38.263 9.185 14.743
158 HD3 ARG 22 HD1 ARG 22 37.869 7.593 14.101
159 HE ARG 22 HE ARG 22 40.027 8.769 12.651
160 HH11 ARG 22 HH21 ARG 22 39.171 7.250 15.647
161 HH12 ARG 22 HH22 ARG 22 40.762 6.633 15.946
162 HH21 ARG 22 HH11 ARG 22 42.113 7.981 13.041
163 HH22 ARG 22 HH12 ARG 22 42.432 7.043 14.462
164 H LEU 23 HN LEU 23 37.924 9.459 8.379
165 HA LEU 23 HA LEU 23 37.304 6.906 7.062
166 HB2 LEU 23 HB2 LEU 23 37.138 9.675 5.824
167 HB3 LEU 23 HB1 LEU 23 36.972 8.158 4.945
168 HG LEU 23 HG LEU 23 35.177 8.999 7.248
169 HD11 LEU 23 HD11 LEU 23 34.865 10.525 5.376
170 HD12 LEU 23 HD12 LEU 23 33.492 9.420 5.454
171 HD13 LEU 23 HD13 LEU 23 34.757 9.172 4.250
172 HD21 LEU 23 HD21 LEU 23 35.488 6.568 5.625
173 HD22 LEU 23 HD22 LEU 23 33.837 7.185 5.646
174 HD23 LEU 23 HD23 LEU 23 34.651 6.794 7.161
175 H SER 24 HN SER 24 39.066 6.060 6.117
176 HA SER 24 HA SER 24 41.625 7.357 6.463
177 HB2 SER 24 HB2 SER 24 42.577 5.286 5.977
178 HB3 SER 24 HB1 SER 24 41.021 4.820 6.658
179 HG SER 24 HG SER 24 41.289 3.714 4.749
180 H HIS 25 HN HIS 25 43.160 7.779 4.795
181 HA HIS 25 HA HIS 25 42.151 9.147 2.538
182 HB2 HIS 25 HB2 HIS 25 44.942 8.071 3.074
183 HB3 HIS 25 HB1 HIS 25 44.527 9.142 1.736
184 HD2 HIS 25 HD2 HIS 25 45.533 9.434 5.423
185 HE1 HIS 25 HE1 HIS 25 43.868 13.169 4.363
186 HE2 HIS 25 HE2 HIS 25 45.175 11.919 6.147
187 H GLU 26 HN GLU 26 43.108 5.853 3.113
188 HA GLU 26 HA GLU 26 43.263 5.017 0.388
189 HB2 GLU 26 HB2 GLU 26 42.720 3.424 2.908
190 HB3 GLU 26 HB1 GLU 26 42.978 2.711 1.315
191 HG2 GLU 26 HG2 GLU 26 45.201 3.725 1.182
192 HG3 GLU 26 HG1 GLU 26 44.950 4.524 2.733
193 H ALA 27 HN ALA 27 40.658 5.221 2.755
194 HA ALA 27 HA ALA 27 38.677 3.835 1.302
195 HB1 ALA 27 HB1 ALA 27 37.222 4.544 2.934
196 HB2 ALA 27 HB2 ALA 27 37.888 6.177 2.971
197 HB3 ALA 27 HB3 ALA 27 38.740 4.858 3.775
198 H LEU 28 HN LEU 28 39.916 7.079 1.165
199 HA LEU 28 HA LEU 28 37.887 8.195 -0.527
200 HB2 LEU 28 HB2 LEU 28 40.729 9.070 0.010
201 HB3 LEU 28 HB1 LEU 28 39.573 10.002 -0.932
202 HG LEU 28 HG LEU 28 39.145 9.122 1.937
203 HD11 LEU 28 HD11 LEU 28 39.305 11.925 1.743
204 HD12 LEU 28 HD12 LEU 28 40.654 11.307 0.790
205 HD13 LEU 28 HD13 LEU 28 40.482 10.841 2.482
206 HD21 LEU 28 HD21 LEU 28 37.455 11.203 1.511
207 HD22 LEU 28 HD22 LEU 28 36.988 9.522 1.267
208 HD23 LEU 28 HD23 LEU 28 37.481 10.507 -0.108
209 H ARG 29 HN ARG 29 41.037 6.713 -1.095
210 HA ARG 29 HA ARG 29 41.209 7.251 -3.848
211 HB2 ARG 29 HB2 ARG 29 43.121 6.453 -2.492
212 HB3 ARG 29 HB1 ARG 29 42.340 4.881 -2.333
213 HG2 ARG 29 HG2 ARG 29 42.414 4.583 -4.779
214 HG3 ARG 29 HG1 ARG 29 43.174 6.167 -4.955
215 HD2 ARG 29 HD2 ARG 29 45.043 5.371 -3.491
216 HD3 ARG 29 HD1 ARG 29 44.304 3.776 -3.474
217 HE ARG 29 HE ARG 29 45.699 5.023 -5.716
218 HH11 ARG 29 HH21 ARG 29 43.654 2.501 -4.506
219 HH12 ARG 29 HH22 ARG 29 43.973 1.424 -5.821
220 HH21 ARG 29 HH11 ARG 29 46.109 3.603 -7.453
221 HH22 ARG 29 HH12 ARG 29 45.350 2.048 -7.487
222 H GLN 30 HN GLN 30 39.688 4.556 -2.117
223 HA GLN 30 HA GLN 30 39.093 3.063 -4.468
224 HB2 GLN 30 HB2 GLN 30 37.881 3.034 -1.700
225 HB3 GLN 30 HB1 GLN 30 37.462 1.885 -2.970
226 HG2 GLN 30 HG2 GLN 30 39.781 1.124 -3.099
227 HG3 GLN 30 HG1 GLN 30 40.269 2.330 -1.910
228 HE21 GLN 30 HE21 GLN 30 40.978 0.027 -0.919
229 HE22 GLN 30 HE22 GLN 30 39.841 -0.666 0.134
230 H ILE 31 HN ILE 31 37.294 5.397 -2.519
231 HA ILE 31 HA ILE 31 34.838 5.152 -3.847
232 HB ILE 31 HB ILE 31 36.071 7.477 -2.363
233 HG12 ILE 31 HG12 ILE 31 35.429 5.146 -1.276
234 HG13 ILE 31 HG11 ILE 31 35.026 6.655 -0.461
235 HG21 ILE 31 HG21 ILE 31 34.405 8.476 -3.707
236 HG22 ILE 31 HG22 ILE 31 33.591 8.162 -2.176
237 HG23 ILE 31 HG23 ILE 31 33.323 7.093 -3.553
238 HD11 ILE 31 HD11 ILE 31 33.166 4.852 -0.706
239 HD12 ILE 31 HD12 ILE 31 33.071 5.396 -2.378
240 HD13 ILE 31 HD13 ILE 31 32.762 6.530 -1.064
241 H TYR 32 HN TYR 32 37.527 7.478 -4.489
242 HA TYR 32 HA TYR 32 36.172 8.877 -6.533
243 HB2 TYR 32 HB2 TYR 32 38.184 9.784 -5.551
244 HB3 TYR 32 HB1 TYR 32 39.123 8.391 -6.086
245 HD1 TYR 32 HD1 TYR 32 36.870 11.052 -7.460
246 HD2 TYR 32 HD2 TYR 32 40.285 8.529 -8.111
247 HE1 TYR 32 HE1 TYR 32 37.296 12.187 -9.622
248 HE2 TYR 32 HE2 TYR 32 40.709 9.663 -10.275
249 HH TYR 32 HH TYR 32 39.781 12.422 -11.113
250 H LEU 33 HN LEU 33 38.460 6.144 -6.718
251 HA LEU 33 HA LEU 33 38.349 5.871 -9.523
252 HB2 LEU 33 HB2 LEU 33 38.996 3.899 -7.332
253 HB3 LEU 33 HB1 LEU 33 39.163 3.521 -9.044
254 HG LEU 33 HG LEU 33 40.508 5.878 -7.685
255 HD11 LEU 33 HD11 LEU 33 42.543 4.566 -7.695
256 HD12 LEU 33 HD12 LEU 33 41.732 3.236 -8.521
257 HD13 LEU 33 HD13 LEU 33 41.297 3.637 -6.860
258 HD21 LEU 33 HD21 LEU 33 40.782 6.507 -9.849
259 HD22 LEU 33 HD22 LEU 33 40.279 4.935 -10.465
260 HD23 LEU 33 HD23 LEU 33 41.943 5.184 -9.944
261 H SER 34 HN SER 34 36.450 4.256 -6.946
262 HA SER 34 HA SER 34 34.973 2.539 -8.625
263 HB2 SER 34 HB2 SER 34 34.065 3.850 -6.051
264 HB3 SER 34 HB1 SER 34 33.392 2.393 -6.778
265 HG SER 34 HG SER 34 35.338 2.509 -5.073
266 H GLY 35 HN GLY 35 34.582 5.881 -7.682
267 HA2 GLY 35 HA2 GLY 35 32.005 6.264 -8.856
268 HA3 GLY 35 HA1 GLY 35 33.122 7.534 -8.357
269 H LEU 36 HN LEU 36 35.337 6.691 -9.878
270 HA LEU 36 HA LEU 36 34.914 8.033 -12.296
271 HB2 LEU 36 HB2 LEU 36 37.125 7.809 -11.218
272 HB3 LEU 36 HB1 LEU 36 37.113 6.083 -11.562
273 HG LEU 36 HG LEU 36 37.042 6.549 -13.981
274 HD11 LEU 36 HD11 LEU 36 35.980 8.563 -14.369
275 HD12 LEU 36 HD12 LEU 36 37.656 9.102 -14.462
276 HD13 LEU 36 HD13 LEU 36 36.733 9.349 -12.980
277 HD21 LEU 36 HD21 LEU 36 39.214 6.694 -12.395
278 HD22 LEU 36 HD22 LEU 36 39.253 8.324 -13.064
279 HD23 LEU 36 HD23 LEU 36 39.303 6.929 -14.141
280 H HIS 37 HN HIS 37 34.849 4.610 -11.469
281 HA HIS 37 HA HIS 37 34.565 3.728 -14.201
282 HB2 HIS 37 HB2 HIS 37 34.162 2.322 -11.548
283 HB3 HIS 37 HB1 HIS 37 34.025 1.528 -13.117
284 HD2 HIS 37 HD2 HIS 37 36.496 1.028 -14.416
285 HE1 HIS 37 HE1 HIS 37 38.955 2.626 -11.377
286 HE2 HIS 37 HE2 HIS 37 38.945 1.319 -13.554
287 H SER 38 HN SER 38 32.520 4.820 -11.649
288 HA SER 38 HA SER 38 30.063 3.666 -12.536
289 HB2 SER 38 HB2 SER 38 30.345 6.207 -10.932
290 HB3 SER 38 HB1 SER 38 28.999 5.074 -10.939
291 HG SER 38 HG SER 38 31.576 4.809 -9.832
292 H TRP 39 HN TRP 39 32.008 5.842 -14.121
293 HA TRP 39 HA TRP 39 29.904 7.624 -15.018
294 HB2 TRP 39 HB2 TRP 39 32.829 7.388 -15.379
295 HB3 TRP 39 HB1 TRP 39 31.941 8.053 -16.748
296 HD1 TRP 39 HD1 TRP 39 32.352 8.649 -12.944
297 HE1 TRP 39 HE1 TRP 39 31.944 11.158 -12.490
298 HE3 TRP 39 HE3 TRP 39 31.013 10.181 -17.621
299 HZ2 TRP 39 HZ2 TRP 39 31.156 13.506 -13.931
300 HZ3 TRP 39 HZ3 TRP 39 30.442 12.551 -18.058
301 HH2 TRP 39 HH2 TRP 39 30.511 14.216 -16.221
302 H LYS 40 HN LYS 40 31.107 4.543 -15.851
303 HA LYS 40 HA LYS 40 29.803 4.670 -18.507
304 HB2 LYS 40 HB2 LYS 40 32.006 2.858 -17.511
305 HB3 LYS 40 HB1 LYS 40 31.227 2.709 -19.085
306 HG2 LYS 40 HG2 LYS 40 31.926 5.020 -19.642
307 HG3 LYS 40 HG1 LYS 40 32.745 5.140 -18.087
308 HD2 LYS 40 HD2 LYS 40 33.393 2.987 -20.119
309 HD3 LYS 40 HD1 LYS 40 34.231 4.537 -20.073
310 HE2 LYS 40 HE2 LYS 40 34.740 4.033 -17.616
311 HE3 LYS 40 HE1 LYS 40 34.181 2.392 -17.936
312 HZ1 LYS 40 HZ1 LYS 40 35.893 2.995 -19.994
313 HZ2 LYS 40 HZ2 LYS 40 36.199 1.964 -18.679
314 HZ3 LYS 40 HZ3 LYS 40 36.658 3.598 -18.606
315 H LYS 41 HN LYS 41 28.488 2.917 -19.136
316 HA LYS 41 HA LYS 41 27.219 1.545 -16.871
317 HB2 LYS 41 HB2 LYS 41 26.365 1.981 -19.739
318 HB3 LYS 41 HB1 LYS 41 25.461 0.988 -18.596
319 HG2 LYS 41 HG2 LYS 41 25.256 2.927 -17.078
320 HG3 LYS 41 HG1 LYS 41 26.140 3.922 -18.237
321 HD2 LYS 41 HD2 LYS 41 24.391 3.495 -19.932
322 HD3 LYS 41 HD1 LYS 41 23.503 2.522 -18.758
323 HE2 LYS 41 HE2 LYS 41 23.299 4.474 -17.276
324 HE3 LYS 41 HE1 LYS 41 24.198 5.453 -18.437
325 HZ1 LYS 41 HZ1 LYS 41 22.210 5.894 -19.307
326 HZ2 LYS 41 HZ2 LYS 41 21.452 4.613 -18.486
327 HZ3 LYS 41 HZ3 LYS 41 22.267 4.326 -19.950
328 H LYS 42 HN LYS 42 27.022 -0.672 -16.742
329 HA LYS 42 HA LYS 42 28.179 -2.319 -18.864
330 HB2 LYS 42 HB2 LYS 42 30.069 -1.794 -17.352
331 HB3 LYS 42 HB1 LYS 42 29.160 -2.474 -16.002
332 HG2 LYS 42 HG2 LYS 42 29.086 -4.655 -17.116
333 HG3 LYS 42 HG1 LYS 42 29.926 -3.989 -18.517
334 HD2 LYS 42 HD2 LYS 42 31.876 -3.459 -17.086
335 HD3 LYS 42 HD1 LYS 42 31.037 -4.154 -15.699
336 HE2 LYS 42 HE2 LYS 42 30.933 -6.336 -16.851
337 HE3 LYS 42 HE1 LYS 42 31.773 -5.642 -18.238
338 HZ1 LYS 42 HZ1 LYS 42 33.458 -6.620 -17.011
339 HZ2 LYS 42 HZ2 LYS 42 32.801 -6.145 -15.518
340 HZ3 LYS 42 HZ3 LYS 42 33.544 -4.998 -16.527
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 52.161 6.165 17.244
2 H2 MET 1 HT2 MET 1 51.655 4.623 17.748
3 H3 MET 1 HT3 MET 1 53.071 5.306 18.389
4 HA MET 1 HA MET 1 51.565 5.655 20.083
5 HB2 MET 1 HB2 MET 1 51.492 8.073 18.252
6 HB3 MET 1 HB1 MET 1 51.006 8.095 19.948
7 HG2 MET 1 HG2 MET 1 53.264 7.311 20.596
8 HG3 MET 1 HG1 MET 1 53.749 7.331 18.902
9 HE1 MET 1 HE1 MET 1 55.604 10.063 20.802
10 HE2 MET 1 HE2 MET 1 55.810 9.549 19.128
11 HE3 MET 1 HE3 MET 1 55.487 8.350 20.377
12 H ALA 2 HN ALA 2 50.229 5.623 16.923
13 HA ALA 2 HA ALA 2 47.546 6.319 17.461
14 HB1 ALA 2 HB1 ALA 2 48.868 4.627 15.345
15 HB2 ALA 2 HB2 ALA 2 48.174 6.240 15.184
16 HB3 ALA 2 HB3 ALA 2 47.118 4.842 15.396
17 H GLU 3 HN GLU 3 49.340 3.311 17.750
18 HA GLU 3 HA GLU 3 48.704 1.190 18.408
19 HB2 GLU 3 HB2 GLU 3 48.997 2.430 20.533
20 HB3 GLU 3 HB1 GLU 3 47.279 2.832 20.513
21 HG2 GLU 3 HG2 GLU 3 46.684 0.464 20.582
22 HG3 GLU 3 HG1 GLU 3 48.385 0.010 20.483
23 H ALA 4 HN ALA 4 47.408 0.277 16.896
24 HA ALA 4 HA ALA 4 44.563 0.158 17.506
25 HB1 ALA 4 HB1 ALA 4 44.120 1.797 16.002
26 HB2 ALA 4 HB2 ALA 4 44.372 0.514 14.818
27 HB3 ALA 4 HB3 ALA 4 45.684 1.627 15.205
28 H HIS 5 HN HIS 5 43.478 -1.594 16.383
29 HA HIS 5 HA HIS 5 45.374 -3.704 15.566
30 HB2 HIS 5 HB2 HIS 5 42.510 -3.902 16.536
31 HB3 HIS 5 HB1 HIS 5 43.510 -5.269 16.049
32 HD2 HIS 5 HD2 HIS 5 42.960 -3.008 19.143
33 HE1 HIS 5 HE1 HIS 5 46.265 -5.493 19.993
34 HE2 HIS 5 HE2 HIS 5 44.615 -3.841 20.987
35 H GLN 6 HN GLN 6 45.391 -4.421 13.525
36 HA GLN 6 HA GLN 6 44.887 -4.622 11.293
37 HB2 GLN 6 HB2 GLN 6 42.074 -4.559 12.424
38 HB3 GLN 6 HB1 GLN 6 42.470 -4.985 10.761
39 HG2 GLN 6 HG2 GLN 6 43.786 -6.879 11.487
40 HG3 GLN 6 HG1 GLN 6 43.622 -6.402 13.176
41 HE21 GLN 6 HE21 GLN 6 42.379 -8.560 10.963
42 HE22 GLN 6 HE22 GLN 6 40.836 -8.784 11.639
43 H ALA 7 HN ALA 7 42.674 -3.489 9.834
44 HA ALA 7 HA ALA 7 42.969 -0.598 10.286
45 HB1 ALA 7 HB1 ALA 7 44.593 -0.661 8.672
46 HB2 ALA 7 HB2 ALA 7 43.178 -0.581 7.623
47 HB3 ALA 7 HB3 ALA 7 43.955 -2.132 7.935
48 H VAL 8 HN VAL 8 41.248 0.637 9.604
49 HA VAL 8 HA VAL 8 39.005 -0.796 8.322
50 HB VAL 8 HB VAL 8 38.903 1.072 10.691
51 HG11 VAL 8 HG11 VAL 8 36.817 0.255 8.684
52 HG12 VAL 8 HG12 VAL 8 37.103 1.841 9.401
53 HG13 VAL 8 HG13 VAL 8 36.351 0.563 10.358
54 HG21 VAL 8 HG21 VAL 8 39.234 -1.571 10.729
55 HG22 VAL 8 HG22 VAL 8 37.493 -1.559 10.443
56 HG23 VAL 8 HG23 VAL 8 38.156 -0.779 11.878
57 H ALA 9 HN ALA 9 38.015 0.230 6.711
58 HA ALA 9 HA ALA 9 39.223 2.545 5.557
59 HB1 ALA 9 HB1 ALA 9 38.080 1.910 3.722
60 HB2 ALA 9 HB2 ALA 9 36.546 1.872 4.594
61 HB3 ALA 9 HB3 ALA 9 37.630 0.482 4.654
62 H PHE 10 HN PHE 10 36.196 1.939 7.331
63 HA PHE 10 HA PHE 10 36.040 4.824 7.806
64 HB2 PHE 10 HB2 PHE 10 33.428 4.429 7.523
65 HB3 PHE 10 HB1 PHE 10 34.459 4.919 6.189
66 HD1 PHE 10 HD1 PHE 10 34.524 1.443 7.567
67 HD2 PHE 10 HD2 PHE 10 33.041 4.029 4.473
68 HE1 PHE 10 HE1 PHE 10 33.824 -0.525 6.266
69 HE2 PHE 10 HE2 PHE 10 32.339 2.044 3.168
70 HZ PHE 10 HZ PHE 10 32.728 -0.232 4.063
71 H GLN 11 HN GLN 11 35.402 5.459 9.769
72 HA GLN 11 HA GLN 11 34.253 3.426 11.594
73 HB2 GLN 11 HB2 GLN 11 36.676 5.131 11.948
74 HB3 GLN 11 HB1 GLN 11 35.655 4.864 13.359
75 HG2 GLN 11 HG2 GLN 11 36.736 2.637 11.608
76 HG3 GLN 11 HG1 GLN 11 37.506 3.175 13.098
77 HE21 GLN 11 HE21 GLN 11 35.667 0.708 12.066
78 HE22 GLN 11 HE22 GLN 11 34.704 0.433 13.436
79 H PHE 12 HN PHE 12 32.455 4.047 12.633
80 HA PHE 12 HA PHE 12 31.852 6.942 12.739
81 HB2 PHE 12 HB2 PHE 12 30.384 6.121 11.125
82 HB3 PHE 12 HB1 PHE 12 30.196 4.573 11.929
83 HD1 PHE 12 HD1 PHE 12 29.932 7.842 13.698
84 HD2 PHE 12 HD2 PHE 12 27.798 4.559 11.933
85 HE1 PHE 12 HE1 PHE 12 27.856 8.591 14.809
86 HE2 PHE 12 HE2 PHE 12 25.714 5.332 13.031
87 HZ PHE 12 HZ PHE 12 25.745 7.349 14.468
88 H THR 13 HN THR 13 31.691 7.634 14.816
89 HA THR 13 HA THR 13 30.739 5.706 16.862
90 HB THR 13 HB THR 13 32.634 7.785 17.739
91 HG1 THR 13 HG1 THR 13 34.118 5.774 17.008
92 HG21 THR 13 HG21 THR 13 32.721 4.834 18.297
93 HG22 THR 13 HG22 THR 13 31.496 5.844 19.062
94 HG23 THR 13 HG23 THR 13 33.207 6.172 19.337
95 H VAL 14 HN VAL 14 29.236 6.348 18.195
96 HA VAL 14 HA VAL 14 28.267 9.110 18.009
97 HB VAL 14 HB VAL 14 27.051 6.570 19.123
98 HG11 VAL 14 HG11 VAL 14 26.289 9.434 19.408
99 HG12 VAL 14 HG12 VAL 14 25.989 8.075 20.492
100 HG13 VAL 14 HG13 VAL 14 24.987 8.297 19.058
101 HG21 VAL 14 HG21 VAL 14 25.476 6.833 17.262
102 HG22 VAL 14 HG22 VAL 14 27.128 6.785 16.647
103 HG23 VAL 14 HG23 VAL 14 26.277 8.324 16.770
104 H THR 15 HN THR 15 28.738 10.546 19.630
105 HA THR 15 HA THR 15 29.379 9.406 22.281
106 HB THR 15 HB THR 15 31.441 10.270 22.081
107 HG1 THR 15 HG1 THR 15 29.873 12.608 22.048
108 HG21 THR 15 HG21 THR 15 32.063 11.693 20.105
109 HG22 THR 15 HG22 THR 15 30.369 11.660 19.613
110 HG23 THR 15 HG23 THR 15 31.299 10.163 19.669
111 HA PRO 16 HA PRO 16 26.220 11.919 24.043
112 HB2 PRO 16 HB2 PRO 16 28.240 13.298 25.736
113 HB3 PRO 16 HB1 PRO 16 26.774 12.431 26.215
114 HG2 PRO 16 HG2 PRO 16 29.277 11.439 26.512
115 HG3 PRO 16 HG1 PRO 16 27.833 10.437 26.325
116 HD2 PRO 16 HD2 PRO 16 30.037 10.879 24.423
117 HD3 PRO 16 HD1 PRO 16 28.803 9.602 24.452
118 H ASP 17 HN ASP 17 29.271 13.595 23.170
119 HA ASP 17 HA ASP 17 27.980 16.152 23.006
120 HB2 ASP 17 HB2 ASP 17 30.691 15.177 22.104
121 HB3 ASP 17 HB1 ASP 17 30.153 16.851 21.966
122 H GLY 18 HN GLY 18 28.179 13.450 20.780
123 HA2 GLY 18 HA2 GLY 18 26.475 14.423 18.912
124 HA3 GLY 18 HA1 GLY 18 28.008 15.130 18.414
125 H ILE 19 HN ILE 19 28.543 13.985 16.605
126 HA ILE 19 HA ILE 19 28.895 11.085 16.906
127 HB ILE 19 HB ILE 19 28.194 10.847 14.542
128 HG12 ILE 19 HG12 ILE 19 27.182 13.688 14.786
129 HG13 ILE 19 HG11 ILE 19 28.640 13.242 13.901
130 HG21 ILE 19 HG21 ILE 19 25.904 10.730 15.002
131 HG22 ILE 19 HG22 ILE 19 25.933 12.194 15.986
132 HG23 ILE 19 HG23 ILE 19 26.614 10.694 16.616
133 HD11 ILE 19 HD11 ILE 19 26.453 11.520 13.125
134 HD12 ILE 19 HD12 ILE 19 27.431 12.592 12.122
135 HD13 ILE 19 HD13 ILE 19 25.993 13.212 12.933
136 H ASP 20 HN ASP 20 30.554 10.247 15.662
137 HA ASP 20 HA ASP 20 32.443 12.185 14.469
138 HB2 ASP 20 HB2 ASP 20 33.182 11.461 16.749
139 HB3 ASP 20 HB1 ASP 20 33.243 9.806 16.148
140 H LEU 21 HN LEU 21 33.394 11.551 12.573
141 HA LEU 21 HA LEU 21 33.011 8.774 11.717
142 HB2 LEU 21 HB2 LEU 21 32.359 11.199 10.020
143 HB3 LEU 21 HB1 LEU 21 32.258 9.512 9.509
144 HG LEU 21 HG LEU 21 30.735 9.390 11.738
145 HD11 LEU 21 HD11 LEU 21 30.028 12.088 10.585
146 HD12 LEU 21 HD12 LEU 21 31.111 11.935 11.965
147 HD13 LEU 21 HD13 LEU 21 29.450 11.352 12.079
148 HD21 LEU 21 HD21 LEU 21 29.995 10.144 8.907
149 HD22 LEU 21 HD22 LEU 21 28.765 9.838 10.134
150 HD23 LEU 21 HD23 LEU 21 29.895 8.562 9.679
151 H ARG 22 HN ARG 22 34.896 7.997 11.149
152 HA ARG 22 HA ARG 22 36.980 9.834 10.100
153 HB2 ARG 22 HB2 ARG 22 37.504 8.970 12.353
154 HB3 ARG 22 HB1 ARG 22 37.408 7.325 11.728
155 HG2 ARG 22 HG2 ARG 22 39.253 7.769 10.179
156 HG3 ARG 22 HG1 ARG 22 39.320 9.449 10.713
157 HD2 ARG 22 HD2 ARG 22 39.744 7.061 12.534
158 HD3 ARG 22 HD1 ARG 22 41.046 7.995 11.805
159 HE ARG 22 HE ARG 22 39.405 9.819 13.133
160 HH11 ARG 22 HH21 ARG 22 41.375 7.065 13.842
161 HH12 ARG 22 HH22 ARG 22 41.745 7.571 15.458
162 HH21 ARG 22 HH11 ARG 22 39.888 10.488 15.255
163 HH22 ARG 22 HH12 ARG 22 40.909 9.508 16.254
164 H LEU 23 HN LEU 23 38.021 9.351 8.253
165 HA LEU 23 HA LEU 23 37.623 6.670 7.117
166 HB2 LEU 23 HB2 LEU 23 37.623 8.991 5.243
167 HB3 LEU 23 HB1 LEU 23 36.870 7.416 5.072
168 HG LEU 23 HG LEU 23 35.158 9.124 5.252
169 HD11 LEU 23 HD11 LEU 23 33.893 7.694 6.396
170 HD12 LEU 23 HD12 LEU 23 34.624 8.210 7.910
171 HD13 LEU 23 HD13 LEU 23 35.347 6.899 6.983
172 HD21 LEU 23 HD21 LEU 23 36.931 10.402 6.972
173 HD22 LEU 23 HD22 LEU 23 35.604 9.909 8.024
174 HD23 LEU 23 HD23 LEU 23 35.284 10.907 6.610
175 H SER 24 HN SER 24 39.452 5.868 6.301
176 HA SER 24 HA SER 24 41.903 7.354 6.557
177 HB2 SER 24 HB2 SER 24 42.999 5.349 6.151
178 HB3 SER 24 HB1 SER 24 41.470 4.780 6.813
179 HG SER 24 HG SER 24 41.432 3.701 4.994
180 H HIS 25 HN HIS 25 43.360 7.890 4.907
181 HA HIS 25 HA HIS 25 42.313 9.163 2.645
182 HB2 HIS 25 HB2 HIS 25 45.096 8.163 3.281
183 HB3 HIS 25 HB1 HIS 25 44.727 9.094 1.828
184 HD2 HIS 25 HD2 HIS 25 45.013 11.790 2.275
185 HE1 HIS 25 HE1 HIS 25 44.326 11.801 6.441
186 HE2 HIS 25 HE2 HIS 25 44.912 13.249 4.436
187 H GLU 26 HN GLU 26 43.293 5.913 3.216
188 HA GLU 26 HA GLU 26 43.487 5.042 0.506
189 HB2 GLU 26 HB2 GLU 26 44.449 3.813 2.465
190 HB3 GLU 26 HB1 GLU 26 42.809 3.388 2.950
191 HG2 GLU 26 HG2 GLU 26 42.445 2.210 0.849
192 HG3 GLU 26 HG1 GLU 26 44.026 2.720 0.256
193 H ALA 27 HN ALA 27 40.900 5.209 2.881
194 HA ALA 27 HA ALA 27 38.912 3.784 1.490
195 HB1 ALA 27 HB1 ALA 27 38.071 6.126 3.102
196 HB2 ALA 27 HB2 ALA 27 39.049 4.918 3.936
197 HB3 ALA 27 HB3 ALA 27 37.529 4.449 3.177
198 H LEU 28 HN LEU 28 40.066 7.048 1.293
199 HA LEU 28 HA LEU 28 37.972 8.092 -0.352
200 HB2 LEU 28 HB2 LEU 28 40.792 9.040 0.166
201 HB3 LEU 28 HB1 LEU 28 39.657 9.919 -0.852
202 HG LEU 28 HG LEU 28 39.103 9.141 2.028
203 HD11 LEU 28 HD11 LEU 28 39.318 11.909 1.862
204 HD12 LEU 28 HD12 LEU 28 40.657 11.325 0.875
205 HD13 LEU 28 HD13 LEU 28 40.513 10.815 2.558
206 HD21 LEU 28 HD21 LEU 28 36.986 9.664 1.394
207 HD22 LEU 28 HD22 LEU 28 37.521 10.362 -0.133
208 HD23 LEU 28 HD23 LEU 28 37.548 11.333 1.335
209 H ARG 29 HN ARG 29 41.111 6.650 -0.986
210 HA ARG 29 HA ARG 29 41.270 7.149 -3.737
211 HB2 ARG 29 HB2 ARG 29 43.147 6.319 -2.352
212 HB3 ARG 29 HB1 ARG 29 42.330 4.767 -2.196
213 HG2 ARG 29 HG2 ARG 29 42.422 4.473 -4.653
214 HG3 ARG 29 HG1 ARG 29 43.254 6.025 -4.797
215 HD2 ARG 29 HD2 ARG 29 45.056 5.156 -3.311
216 HD3 ARG 29 HD1 ARG 29 44.253 3.594 -3.285
217 HE ARG 29 HE ARG 29 45.676 4.788 -5.561
218 HH11 ARG 29 HH21 ARG 29 43.750 2.205 -4.245
219 HH12 ARG 29 HH22 ARG 29 44.202 1.074 -5.473
220 HH21 ARG 29 HH11 ARG 29 46.252 3.294 -7.162
221 HH22 ARG 29 HH12 ARG 29 45.613 1.685 -7.116
222 H GLN 30 HN GLN 30 39.755 4.432 -1.997
223 HA GLN 30 HA GLN 30 39.058 3.020 -4.382
224 HB2 GLN 30 HB2 GLN 30 38.818 2.601 -1.569
225 HB3 GLN 30 HB1 GLN 30 37.217 2.410 -2.286
226 HG2 GLN 30 HG2 GLN 30 38.359 0.263 -2.339
227 HG3 GLN 30 HG1 GLN 30 38.206 0.868 -3.986
228 HE21 GLN 30 HE21 GLN 30 40.104 0.281 -5.069
229 HE22 GLN 30 HE22 GLN 30 41.670 0.478 -4.446
230 H ILE 31 HN ILE 31 37.369 5.314 -2.284
231 HA ILE 31 HA ILE 31 34.865 5.140 -3.548
232 HB ILE 31 HB ILE 31 36.137 7.362 -1.956
233 HG12 ILE 31 HG12 ILE 31 33.899 5.449 -1.239
234 HG13 ILE 31 HG11 ILE 31 35.592 5.117 -0.878
235 HG21 ILE 31 HG21 ILE 31 34.515 8.597 -3.025
236 HG22 ILE 31 HG22 ILE 31 33.511 7.880 -1.768
237 HG23 ILE 31 HG23 ILE 31 33.528 7.183 -3.388
238 HD11 ILE 31 HD11 ILE 31 34.649 6.129 1.091
239 HD12 ILE 31 HD12 ILE 31 33.909 7.419 0.142
240 HD13 ILE 31 HD13 ILE 31 35.662 7.353 0.326
241 H TYR 32 HN TYR 32 37.559 7.452 -4.201
242 HA TYR 32 HA TYR 32 36.136 8.985 -6.098
243 HB2 TYR 32 HB2 TYR 32 38.233 9.761 -5.123
244 HB3 TYR 32 HB1 TYR 32 39.105 8.423 -5.868
245 HD1 TYR 32 HD1 TYR 32 37.011 11.409 -6.651
246 HD2 TYR 32 HD2 TYR 32 39.928 8.598 -8.086
247 HE1 TYR 32 HE1 TYR 32 37.296 12.758 -8.711
248 HE2 TYR 32 HE2 TYR 32 40.210 9.949 -10.151
249 HH TYR 32 HH TYR 32 39.847 12.446 -10.773
250 H LEU 33 HN LEU 33 38.357 6.244 -6.527
251 HA LEU 33 HA LEU 33 38.138 6.104 -9.334
252 HB2 LEU 33 HB2 LEU 33 38.939 4.147 -7.196
253 HB3 LEU 33 HB1 LEU 33 38.880 3.666 -8.889
254 HG LEU 33 HG LEU 33 40.405 6.093 -7.900
255 HD11 LEU 33 HD11 LEU 33 42.425 4.724 -8.021
256 HD12 LEU 33 HD12 LEU 33 41.470 3.321 -8.501
257 HD13 LEU 33 HD13 LEU 33 41.281 4.003 -6.886
258 HD21 LEU 33 HD21 LEU 33 39.847 4.919 -10.524
259 HD22 LEU 33 HD22 LEU 33 41.575 5.077 -10.221
260 HD23 LEU 33 HD23 LEU 33 40.530 6.493 -10.122
261 H SER 34 HN SER 34 36.293 4.446 -6.753
262 HA SER 34 HA SER 34 34.786 2.743 -8.394
263 HB2 SER 34 HB2 SER 34 34.125 4.045 -5.748
264 HB3 SER 34 HB1 SER 34 33.087 2.852 -6.521
265 HG SER 34 HG SER 34 34.573 1.908 -5.043
266 H GLY 35 HN GLY 35 34.351 6.116 -7.522
267 HA2 GLY 35 HA2 GLY 35 31.770 6.425 -8.711
268 HA3 GLY 35 HA1 GLY 35 32.866 7.725 -8.250
269 H LEU 36 HN LEU 36 35.087 6.887 -9.760
270 HA LEU 36 HA LEU 36 34.627 8.155 -12.212
271 HB2 LEU 36 HB2 LEU 36 36.842 7.962 -11.059
272 HB3 LEU 36 HB1 LEU 36 36.880 6.261 -11.509
273 HG LEU 36 HG LEU 36 36.761 6.895 -13.904
274 HD11 LEU 36 HD11 LEU 36 37.438 9.496 -14.130
275 HD12 LEU 36 HD12 LEU 36 36.430 9.591 -12.684
276 HD13 LEU 36 HD13 LEU 36 35.764 8.944 -14.182
277 HD21 LEU 36 HD21 LEU 36 39.043 7.859 -14.046
278 HD22 LEU 36 HD22 LEU 36 38.957 6.580 -12.836
279 HD23 LEU 36 HD23 LEU 36 38.964 8.270 -12.333
280 H HIS 37 HN HIS 37 34.675 4.745 -11.317
281 HA HIS 37 HA HIS 37 34.464 3.780 -14.021
282 HB2 HIS 37 HB2 HIS 37 34.072 2.437 -11.338
283 HB3 HIS 37 HB1 HIS 37 33.999 1.593 -12.888
284 HD2 HIS 37 HD2 HIS 37 36.649 2.461 -10.323
285 HE1 HIS 37 HE1 HIS 37 38.746 2.046 -13.963
286 HE2 HIS 37 HE2 HIS 37 38.998 2.259 -11.447
287 H SER 38 HN SER 38 32.265 4.642 -11.453
288 HA SER 38 HA SER 38 29.919 3.399 -12.456
289 HB2 SER 38 HB2 SER 38 30.117 5.947 -10.836
290 HB3 SER 38 HB1 SER 38 28.696 4.921 -11.010
291 HG SER 38 HG SER 38 30.761 4.687 -9.320
292 H TRP 39 HN TRP 39 31.320 6.667 -12.993
293 HA TRP 39 HA TRP 39 29.177 7.548 -14.643
294 HB2 TRP 39 HB2 TRP 39 32.031 8.469 -14.292
295 HB3 TRP 39 HB1 TRP 39 30.914 9.255 -15.407
296 HD1 TRP 39 HD1 TRP 39 32.055 9.456 -11.957
297 HE1 TRP 39 HE1 TRP 39 30.413 10.806 -10.499
298 HE3 TRP 39 HE3 TRP 39 28.008 9.588 -15.073
299 HZ2 TRP 39 HZ2 TRP 39 27.738 11.810 -10.635
300 HZ3 TRP 39 HZ3 TRP 39 25.930 10.747 -14.383
301 HH2 TRP 39 HH2 TRP 39 25.788 11.854 -12.170
302 H LYS 40 HN LYS 40 32.186 5.821 -15.213
303 HA LYS 40 HA LYS 40 32.292 6.052 -18.028
304 HB2 LYS 40 HB2 LYS 40 34.126 5.217 -16.499
305 HB3 LYS 40 HB1 LYS 40 33.245 3.693 -16.397
306 HG2 LYS 40 HG2 LYS 40 33.383 3.423 -18.835
307 HG3 LYS 40 HG1 LYS 40 34.214 4.974 -18.967
308 HD2 LYS 40 HD2 LYS 40 36.050 4.110 -17.555
309 HD3 LYS 40 HD1 LYS 40 35.226 2.556 -17.447
310 HE2 LYS 40 HE2 LYS 40 35.386 2.275 -19.881
311 HE3 LYS 40 HE1 LYS 40 36.165 3.850 -20.024
312 HZ1 LYS 40 HZ1 LYS 40 38.112 2.998 -19.422
313 HZ2 LYS 40 HZ2 LYS 40 37.423 1.460 -19.637
314 HZ3 LYS 40 HZ3 LYS 40 37.447 2.175 -18.095
315 H LYS 41 HN LYS 41 31.352 4.931 -19.660
316 HA LYS 41 HA LYS 41 29.036 3.287 -19.029
317 HB2 LYS 41 HB2 LYS 41 28.994 5.014 -20.826
318 HB3 LYS 41 HB1 LYS 41 30.167 4.056 -21.728
319 HG2 LYS 41 HG2 LYS 41 28.593 2.162 -21.788
320 HG3 LYS 41 HG1 LYS 41 27.421 3.100 -20.859
321 HD2 LYS 41 HD2 LYS 41 27.374 4.803 -22.657
322 HD3 LYS 41 HD1 LYS 41 28.512 3.834 -23.590
323 HE2 LYS 41 HE2 LYS 41 26.899 1.986 -23.683
324 HE3 LYS 41 HE1 LYS 41 25.763 2.914 -22.702
325 HZ1 LYS 41 HZ1 LYS 41 26.798 4.202 -25.100
326 HZ2 LYS 41 HZ2 LYS 41 25.250 4.279 -24.407
327 HZ3 LYS 41 HZ3 LYS 41 25.702 2.929 -25.336
328 H LYS 42 HN LYS 42 28.829 1.130 -19.335
329 HA LYS 42 HA LYS 42 31.241 -0.348 -20.203
330 HB2 LYS 42 HB2 LYS 42 29.014 -1.088 -18.300
331 HB3 LYS 42 HB1 LYS 42 30.214 -2.241 -18.888
332 HG2 LYS 42 HG2 LYS 42 32.022 -0.895 -17.958
333 HG3 LYS 42 HG1 LYS 42 30.875 0.343 -17.447
334 HD2 LYS 42 HD2 LYS 42 29.765 -1.303 -15.976
335 HD3 LYS 42 HD1 LYS 42 30.943 -2.526 -16.467
336 HE2 LYS 42 HE2 LYS 42 32.770 -1.125 -15.585
337 HE3 LYS 42 HE1 LYS 42 31.599 0.100 -15.100
338 HZ1 LYS 42 HZ1 LYS 42 30.913 -1.112 -13.358
339 HZ2 LYS 42 HZ2 LYS 42 32.436 -1.852 -13.503
340 HZ3 LYS 42 HZ3 LYS 42 31.063 -2.592 -14.171
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 45.325 -1.479 0.403
2 H2 MET 1 HT2 MET 1 44.252 -0.638 1.411
3 H3 MET 1 HT3 MET 1 43.850 -0.916 -0.215
4 HA MET 1 HA MET 1 42.612 -2.522 0.860
5 HB2 MET 1 HB2 MET 1 45.327 -3.729 0.228
6 HB3 MET 1 HB1 MET 1 43.862 -4.672 0.512
7 HG2 MET 1 HG2 MET 1 42.755 -3.509 -1.377
8 HG3 MET 1 HG1 MET 1 44.243 -2.614 -1.686
9 HE1 MET 1 HE1 MET 1 43.408 -3.389 -3.806
10 HE2 MET 1 HE2 MET 1 43.540 -4.998 -4.511
11 HE3 MET 1 HE3 MET 1 44.958 -3.960 -4.433
12 H ALA 2 HN ALA 2 45.784 -2.004 2.296
13 HA ALA 2 HA ALA 2 46.617 -2.380 4.402
14 HB1 ALA 2 HB1 ALA 2 44.603 -2.316 6.172
15 HB2 ALA 2 HB2 ALA 2 43.769 -1.629 4.779
16 HB3 ALA 2 HB3 ALA 2 45.232 -0.862 5.399
17 H GLU 3 HN GLU 3 47.421 -4.374 4.565
18 HA GLU 3 HA GLU 3 45.877 -6.756 4.406
19 HB2 GLU 3 HB2 GLU 3 48.690 -6.266 5.414
20 HB3 GLU 3 HB1 GLU 3 47.985 -7.865 5.190
21 HG2 GLU 3 HG2 GLU 3 47.616 -7.389 2.809
22 HG3 GLU 3 HG1 GLU 3 48.266 -5.766 3.024
23 H ALA 4 HN ALA 4 47.178 -4.893 7.133
24 HA ALA 4 HA ALA 4 46.489 -6.767 9.144
25 HB1 ALA 4 HB1 ALA 4 47.715 -4.219 9.043
26 HB2 ALA 4 HB2 ALA 4 47.584 -5.294 10.434
27 HB3 ALA 4 HB3 ALA 4 46.346 -4.071 10.145
28 H HIS 5 HN HIS 5 44.684 -6.916 10.494
29 HA HIS 5 HA HIS 5 42.222 -5.904 9.308
30 HB2 HIS 5 HB2 HIS 5 42.760 -7.796 11.597
31 HB3 HIS 5 HB1 HIS 5 41.142 -7.263 11.131
32 HD2 HIS 5 HD2 HIS 5 40.129 -8.429 8.786
33 HE1 HIS 5 HE1 HIS 5 43.505 -10.821 7.937
34 HE2 HIS 5 HE2 HIS 5 41.089 -10.350 7.298
35 H GLN 6 HN GLN 6 44.408 -5.031 11.745
36 HA GLN 6 HA GLN 6 42.736 -3.798 13.645
37 HB2 GLN 6 HB2 GLN 6 45.139 -4.203 14.039
38 HB3 GLN 6 HB1 GLN 6 45.540 -3.031 12.779
39 HG2 GLN 6 HG2 GLN 6 44.566 -1.233 14.023
40 HG3 GLN 6 HG1 GLN 6 43.861 -2.347 15.195
41 HE21 GLN 6 HE21 GLN 6 45.615 -0.250 16.010
42 HE22 GLN 6 HE22 GLN 6 47.035 -0.955 16.605
43 H ALA 7 HN ALA 7 44.071 -2.639 10.568
44 HA ALA 7 HA ALA 7 43.246 0.076 10.906
45 HB1 ALA 7 HB1 ALA 7 44.721 -1.435 8.981
46 HB2 ALA 7 HB2 ALA 7 44.616 0.317 9.160
47 HB3 ALA 7 HB3 ALA 7 43.457 -0.534 8.142
48 H VAL 8 HN VAL 8 41.503 1.164 10.095
49 HA VAL 8 HA VAL 8 39.343 -0.475 8.925
50 HB VAL 8 HB VAL 8 39.146 1.671 11.053
51 HG11 VAL 8 HG11 VAL 8 36.649 1.217 10.803
52 HG12 VAL 8 HG12 VAL 8 37.035 0.465 9.255
53 HG13 VAL 8 HG13 VAL 8 37.386 2.175 9.521
54 HG21 VAL 8 HG21 VAL 8 38.573 -0.022 12.478
55 HG22 VAL 8 HG22 VAL 8 39.429 -1.038 11.319
56 HG23 VAL 8 HG23 VAL 8 37.673 -0.891 11.237
57 H ALA 9 HN ALA 9 38.450 0.321 7.126
58 HA ALA 9 HA ALA 9 39.635 2.561 5.818
59 HB1 ALA 9 HB1 ALA 9 37.140 1.828 4.606
60 HB2 ALA 9 HB2 ALA 9 37.951 0.355 5.140
61 HB3 ALA 9 HB3 ALA 9 38.772 1.467 4.044
62 H PHE 10 HN PHE 10 36.579 1.973 7.495
63 HA PHE 10 HA PHE 10 36.269 4.856 7.793
64 HB2 PHE 10 HB2 PHE 10 34.090 5.015 6.938
65 HB3 PHE 10 HB1 PHE 10 34.995 4.107 5.737
66 HD1 PHE 10 HD1 PHE 10 34.946 1.395 7.371
67 HD2 PHE 10 HD2 PHE 10 31.924 4.244 6.275
68 HE1 PHE 10 HE1 PHE 10 33.228 -0.376 7.512
69 HE2 PHE 10 HE2 PHE 10 30.209 2.465 6.413
70 HZ PHE 10 HZ PHE 10 30.855 0.156 7.030
71 H GLN 11 HN GLN 11 35.569 5.462 9.759
72 HA GLN 11 HA GLN 11 34.308 3.394 11.468
73 HB2 GLN 11 HB2 GLN 11 36.699 3.643 12.039
74 HB3 GLN 11 HB1 GLN 11 36.425 5.358 12.352
75 HG2 GLN 11 HG2 GLN 11 34.830 4.819 14.111
76 HG3 GLN 11 HG1 GLN 11 34.981 3.101 13.755
77 HE21 GLN 11 HE21 GLN 11 35.547 4.041 16.332
78 HE22 GLN 11 HE22 GLN 11 37.211 3.916 16.629
79 H PHE 12 HN PHE 12 32.560 3.986 12.559
80 HA PHE 12 HA PHE 12 31.907 6.868 12.675
81 HB2 PHE 12 HB2 PHE 12 30.386 5.996 11.118
82 HB3 PHE 12 HB1 PHE 12 30.259 4.459 11.954
83 HD1 PHE 12 HD1 PHE 12 30.000 7.767 13.685
84 HD2 PHE 12 HD2 PHE 12 27.897 4.385 12.068
85 HE1 PHE 12 HE1 PHE 12 27.944 8.470 14.879
86 HE2 PHE 12 HE2 PHE 12 25.839 5.099 13.240
87 HZ PHE 12 HZ PHE 12 25.860 7.137 14.651
88 H THR 13 HN THR 13 31.771 7.572 14.731
89 HA THR 13 HA THR 13 30.878 5.672 16.836
90 HB THR 13 HB THR 13 32.718 7.844 17.620
91 HG1 THR 13 HG1 THR 13 34.479 6.365 16.998
92 HG21 THR 13 HG21 THR 13 31.810 6.208 19.240
93 HG22 THR 13 HG22 THR 13 33.563 6.070 19.118
94 HG23 THR 13 HG23 THR 13 32.526 4.893 18.308
95 H VAL 14 HN VAL 14 29.297 6.322 18.074
96 HA VAL 14 HA VAL 14 28.255 9.035 17.729
97 HB VAL 14 HB VAL 14 26.693 7.167 17.387
98 HG11 VAL 14 HG11 VAL 14 26.710 6.475 20.282
99 HG12 VAL 14 HG12 VAL 14 28.051 5.859 19.315
100 HG13 VAL 14 HG13 VAL 14 26.392 5.451 18.882
101 HG21 VAL 14 HG21 VAL 14 25.652 8.166 19.948
102 HG22 VAL 14 HG22 VAL 14 25.023 8.396 18.314
103 HG23 VAL 14 HG23 VAL 14 26.306 9.440 18.922
104 H THR 15 HN THR 15 28.587 10.566 19.292
105 HA THR 15 HA THR 15 29.219 9.582 22.004
106 HB THR 15 HB THR 15 30.465 11.918 22.046
107 HG1 THR 15 HG1 THR 15 31.447 12.133 19.917
108 HG21 THR 15 HG21 THR 15 32.535 10.714 21.423
109 HG22 THR 15 HG22 THR 15 31.563 9.416 20.727
110 HG23 THR 15 HG23 THR 15 31.508 9.729 22.461
111 HA PRO 16 HA PRO 16 25.816 11.935 23.556
112 HB2 PRO 16 HB2 PRO 16 27.741 13.341 25.343
113 HB3 PRO 16 HB1 PRO 16 26.243 12.497 25.759
114 HG2 PRO 16 HG2 PRO 16 28.691 11.474 26.220
115 HG3 PRO 16 HG1 PRO 16 27.273 10.469 25.887
116 HD2 PRO 16 HD2 PRO 16 29.623 10.996 24.187
117 HD3 PRO 16 HD1 PRO 16 28.433 9.677 24.107
118 H ASP 17 HN ASP 17 28.877 13.645 22.922
119 HA ASP 17 HA ASP 17 27.712 16.234 22.611
120 HB2 ASP 17 HB2 ASP 17 29.920 16.811 21.633
121 HB3 ASP 17 HB1 ASP 17 30.051 16.017 23.197
122 H GLY 18 HN GLY 18 28.021 13.459 20.481
123 HA2 GLY 18 HA2 GLY 18 26.341 14.336 18.549
124 HA3 GLY 18 HA1 GLY 18 27.868 15.066 18.072
125 H ILE 19 HN ILE 19 28.433 13.898 16.313
126 HA ILE 19 HA ILE 19 28.859 11.023 16.696
127 HB ILE 19 HB ILE 19 28.172 10.738 14.315
128 HG12 ILE 19 HG12 ILE 19 27.109 13.555 14.652
129 HG13 ILE 19 HG11 ILE 19 28.510 13.125 13.674
130 HG21 ILE 19 HG21 ILE 19 25.974 11.960 16.000
131 HG22 ILE 19 HG22 ILE 19 26.637 10.356 16.310
132 HG23 ILE 19 HG23 ILE 19 25.807 10.692 14.790
133 HD11 ILE 19 HD11 ILE 19 25.699 12.948 12.997
134 HD12 ILE 19 HD12 ILE 19 26.469 11.367 12.859
135 HD13 ILE 19 HD13 ILE 19 27.111 12.739 11.958
136 H ASP 20 HN ASP 20 30.566 10.194 15.507
137 HA ASP 20 HA ASP 20 32.424 12.177 14.324
138 HB2 ASP 20 HB2 ASP 20 33.076 11.393 16.635
139 HB3 ASP 20 HB1 ASP 20 33.259 9.780 15.952
140 H LEU 21 HN LEU 21 33.382 11.586 12.405
141 HA LEU 21 HA LEU 21 33.039 8.802 11.506
142 HB2 LEU 21 HB2 LEU 21 32.489 11.336 9.925
143 HB3 LEU 21 HB1 LEU 21 32.520 9.720 9.229
144 HG LEU 21 HG LEU 21 30.713 10.436 11.543
145 HD11 LEU 21 HD11 LEU 21 30.372 10.879 8.590
146 HD12 LEU 21 HD12 LEU 21 29.896 11.921 9.932
147 HD13 LEU 21 HD13 LEU 21 28.972 10.465 9.575
148 HD21 LEU 21 HD21 LEU 21 31.330 8.019 10.187
149 HD22 LEU 21 HD22 LEU 21 29.727 8.503 9.638
150 HD23 LEU 21 HD23 LEU 21 30.042 8.290 11.360
151 H ARG 22 HN ARG 22 34.957 8.026 11.019
152 HA ARG 22 HA ARG 22 37.076 9.861 10.031
153 HB2 ARG 22 HB2 ARG 22 37.321 7.468 11.860
154 HB3 ARG 22 HB1 ARG 22 38.698 8.303 11.142
155 HG2 ARG 22 HG2 ARG 22 38.078 10.377 12.252
156 HG3 ARG 22 HG1 ARG 22 36.599 9.641 12.872
157 HD2 ARG 22 HD2 ARG 22 38.231 9.609 14.656
158 HD3 ARG 22 HD1 ARG 22 38.019 7.958 14.082
159 HE ARG 22 HE ARG 22 40.182 9.160 12.696
160 HH11 ARG 22 HH21 ARG 22 39.230 7.985 15.810
161 HH12 ARG 22 HH22 ARG 22 40.833 7.533 16.286
162 HH21 ARG 22 HH11 ARG 22 42.298 8.541 13.321
163 HH22 ARG 22 HH12 ARG 22 42.557 7.823 14.874
164 H LEU 23 HN LEU 23 38.214 9.296 8.241
165 HA LEU 23 HA LEU 23 37.895 6.561 7.234
166 HB2 LEU 23 HB2 LEU 23 37.358 9.057 5.607
167 HB3 LEU 23 HB1 LEU 23 37.437 7.419 4.964
168 HG LEU 23 HG LEU 23 35.645 7.040 6.955
169 HD11 LEU 23 HD11 LEU 23 34.901 9.761 5.900
170 HD12 LEU 23 HD12 LEU 23 35.883 9.604 7.355
171 HD13 LEU 23 HD13 LEU 23 34.261 8.915 7.307
172 HD21 LEU 23 HD21 LEU 23 35.292 6.421 4.619
173 HD22 LEU 23 HD22 LEU 23 35.061 8.116 4.185
174 HD23 LEU 23 HD23 LEU 23 33.888 7.305 5.221
175 H SER 24 HN SER 24 39.689 5.766 6.385
176 HA SER 24 HA SER 24 42.154 7.217 6.569
177 HB2 SER 24 HB2 SER 24 41.710 4.586 5.156
178 HB3 SER 24 HB1 SER 24 43.201 5.179 5.881
179 HG SER 24 HG SER 24 41.845 5.224 7.892
180 H HIS 25 HN HIS 25 43.551 7.830 4.897
181 HA HIS 25 HA HIS 25 42.433 9.070 2.656
182 HB2 HIS 25 HB2 HIS 25 45.262 8.138 3.188
183 HB3 HIS 25 HB1 HIS 25 44.810 9.111 1.786
184 HD2 HIS 25 HD2 HIS 25 45.956 9.740 5.333
185 HE1 HIS 25 HE1 HIS 25 43.756 13.172 4.252
186 HE2 HIS 25 HE2 HIS 25 45.395 12.217 5.936
187 H GLU 26 HN GLU 26 43.512 5.819 3.159
188 HA GLU 26 HA GLU 26 43.644 4.992 0.439
189 HB2 GLU 26 HB2 GLU 26 43.171 3.429 2.989
190 HB3 GLU 26 HB1 GLU 26 43.379 2.681 1.403
191 HG2 GLU 26 HG2 GLU 26 45.588 3.769 1.178
192 HG3 GLU 26 HG1 GLU 26 45.385 4.505 2.767
193 H ALA 27 HN ALA 27 41.083 5.179 2.830
194 HA ALA 27 HA ALA 27 39.093 3.730 1.478
195 HB1 ALA 27 HB1 ALA 27 37.545 4.767 2.982
196 HB2 ALA 27 HB2 ALA 27 38.615 6.146 3.235
197 HB3 ALA 27 HB3 ALA 27 39.045 4.561 3.888
198 H LEU 28 HN LEU 28 40.199 7.016 1.289
199 HA LEU 28 HA LEU 28 38.127 8.042 -0.374
200 HB2 LEU 28 HB2 LEU 28 40.863 8.984 0.394
201 HB3 LEU 28 HB1 LEU 28 40.006 9.791 -0.919
202 HG LEU 28 HG LEU 28 38.062 10.147 0.597
203 HD11 LEU 28 HD11 LEU 28 38.619 9.814 3.085
204 HD12 LEU 28 HD12 LEU 28 39.900 8.743 2.527
205 HD13 LEU 28 HD13 LEU 28 38.218 8.369 2.156
206 HD21 LEU 28 HD21 LEU 28 39.426 11.643 2.271
207 HD22 LEU 28 HD22 LEU 28 39.436 12.022 0.548
208 HD23 LEU 28 HD23 LEU 28 40.799 11.168 1.274
209 H ARG 29 HN ARG 29 41.251 6.573 -1.049
210 HA ARG 29 HA ARG 29 41.351 7.090 -3.818
211 HB2 ARG 29 HB2 ARG 29 43.280 6.257 -2.480
212 HB3 ARG 29 HB1 ARG 29 42.489 4.687 -2.368
213 HG2 ARG 29 HG2 ARG 29 42.574 4.401 -4.769
214 HG3 ARG 29 HG1 ARG 29 43.158 6.052 -4.983
215 HD2 ARG 29 HD2 ARG 29 45.186 5.502 -3.708
216 HD3 ARG 29 HD1 ARG 29 44.606 3.852 -3.499
217 HE ARG 29 HE ARG 29 45.137 3.418 -5.722
218 HH11 ARG 29 HH21 ARG 29 45.285 6.812 -5.027
219 HH12 ARG 29 HH22 ARG 29 46.128 7.208 -6.486
220 HH21 ARG 29 HH11 ARG 29 46.231 3.927 -7.629
221 HH22 ARG 29 HH12 ARG 29 46.650 5.569 -7.973
222 H GLN 30 HN GLN 30 39.940 4.328 -2.056
223 HA GLN 30 HA GLN 30 39.194 2.901 -4.421
224 HB2 GLN 30 HB2 GLN 30 38.103 2.753 -1.598
225 HB3 GLN 30 HB1 GLN 30 37.776 1.582 -2.876
226 HG2 GLN 30 HG2 GLN 30 40.544 2.289 -1.864
227 HG3 GLN 30 HG1 GLN 30 39.636 0.865 -1.364
228 HE21 GLN 30 HE21 GLN 30 41.990 1.846 -3.521
229 HE22 GLN 30 HE22 GLN 30 41.780 0.650 -4.710
230 H ILE 31 HN ILE 31 37.542 5.144 -2.258
231 HA ILE 31 HA ILE 31 34.999 4.949 -3.441
232 HB ILE 31 HB ILE 31 36.316 7.133 -1.832
233 HG12 ILE 31 HG12 ILE 31 34.081 5.230 -1.087
234 HG13 ILE 31 HG11 ILE 31 35.782 4.830 -0.850
235 HG21 ILE 31 HG21 ILE 31 34.678 8.355 -2.967
236 HG22 ILE 31 HG22 ILE 31 33.814 7.827 -1.520
237 HG23 ILE 31 HG23 ILE 31 33.566 6.988 -3.055
238 HD11 ILE 31 HD11 ILE 31 35.904 6.116 1.002
239 HD12 ILE 31 HD12 ILE 31 34.147 6.262 0.914
240 HD13 ILE 31 HD13 ILE 31 35.170 7.489 0.169
241 H TYR 32 HN TYR 32 37.666 7.265 -4.142
242 HA TYR 32 HA TYR 32 36.171 8.790 -5.985
243 HB2 TYR 32 HB2 TYR 32 38.229 9.635 -5.077
244 HB3 TYR 32 HB1 TYR 32 39.144 8.307 -5.789
245 HD1 TYR 32 HD1 TYR 32 36.879 11.149 -6.677
246 HD2 TYR 32 HD2 TYR 32 40.004 8.491 -7.959
247 HE1 TYR 32 HE1 TYR 32 37.137 12.458 -8.775
248 HE2 TYR 32 HE2 TYR 32 40.266 9.794 -10.047
249 HH TYR 32 HH TYR 32 39.186 12.803 -10.477
250 H LEU 33 HN LEU 33 38.418 6.086 -6.511
251 HA LEU 33 HA LEU 33 38.128 5.975 -9.315
252 HB2 LEU 33 HB2 LEU 33 38.881 3.882 -7.272
253 HB3 LEU 33 HB1 LEU 33 38.988 3.616 -9.012
254 HG LEU 33 HG LEU 33 40.368 5.869 -7.522
255 HD11 LEU 33 HD11 LEU 33 41.444 3.889 -6.803
256 HD12 LEU 33 HD12 LEU 33 42.431 4.451 -8.153
257 HD13 LEU 33 HD13 LEU 33 41.286 3.129 -8.386
258 HD21 LEU 33 HD21 LEU 33 41.731 5.563 -9.840
259 HD22 LEU 33 HD22 LEU 33 40.370 6.672 -9.674
260 HD23 LEU 33 HD23 LEU 33 40.124 5.079 -10.386
261 H SER 34 HN SER 34 36.361 4.267 -6.703
262 HA SER 34 HA SER 34 34.764 2.638 -8.367
263 HB2 SER 34 HB2 SER 34 34.263 3.802 -5.621
264 HB3 SER 34 HB1 SER 34 33.152 2.688 -6.406
265 HG SER 34 HG SER 34 34.430 1.291 -5.450
266 H GLY 35 HN GLY 35 34.468 5.967 -7.306
267 HA2 GLY 35 HA2 GLY 35 31.832 6.444 -8.311
268 HA3 GLY 35 HA1 GLY 35 33.017 7.674 -7.865
269 H LEU 36 HN LEU 36 35.098 6.868 -9.578
270 HA LEU 36 HA LEU 36 34.477 8.281 -11.910
271 HB2 LEU 36 HB2 LEU 36 36.755 8.023 -10.976
272 HB3 LEU 36 HB1 LEU 36 36.746 6.332 -11.466
273 HG LEU 36 HG LEU 36 36.441 7.035 -13.831
274 HD11 LEU 36 HD11 LEU 36 36.288 9.718 -12.524
275 HD12 LEU 36 HD12 LEU 36 35.403 9.088 -13.915
276 HD13 LEU 36 HD13 LEU 36 37.074 9.618 -14.098
277 HD21 LEU 36 HD21 LEU 36 38.765 8.589 -13.560
278 HD22 LEU 36 HD22 LEU 36 38.683 6.838 -13.780
279 HD23 LEU 36 HD23 LEU 36 38.764 7.519 -12.155
280 H HIS 37 HN HIS 37 34.471 4.846 -11.224
281 HA HIS 37 HA HIS 37 34.016 4.047 -13.959
282 HB2 HIS 37 HB2 HIS 37 33.897 2.595 -11.315
283 HB3 HIS 37 HB1 HIS 37 33.524 1.822 -12.856
284 HD2 HIS 37 HD2 HIS 37 35.748 1.046 -14.326
285 HE1 HIS 37 HE1 HIS 37 38.692 2.929 -11.957
286 HE2 HIS 37 HE2 HIS 37 38.306 1.330 -13.894
287 H SER 38 HN SER 38 32.112 4.760 -11.114
288 HA SER 38 HA SER 38 29.641 3.678 -11.985
289 HB2 SER 38 HB2 SER 38 30.163 6.003 -10.129
290 HB3 SER 38 HB1 SER 38 28.633 5.156 -10.304
291 HG SER 38 HG SER 38 31.108 4.167 -9.349
292 H TRP 39 HN TRP 39 31.128 6.915 -12.394
293 HA TRP 39 HA TRP 39 28.842 8.058 -13.630
294 HB2 TRP 39 HB2 TRP 39 30.564 9.500 -12.723
295 HB3 TRP 39 HB1 TRP 39 31.782 8.773 -13.777
296 HD1 TRP 39 HD1 TRP 39 32.246 10.051 -15.886
297 HE1 TRP 39 HE1 TRP 39 30.969 11.724 -17.376
298 HE3 TRP 39 HE3 TRP 39 27.750 10.165 -13.456
299 HZ2 TRP 39 HZ2 TRP 39 28.379 12.946 -17.525
300 HZ3 TRP 39 HZ3 TRP 39 25.894 11.581 -14.295
301 HH2 TRP 39 HH2 TRP 39 26.199 12.976 -16.326
302 H LYS 40 HN LYS 40 31.642 6.262 -14.779
303 HA LYS 40 HA LYS 40 30.947 6.605 -17.574
304 HB2 LYS 40 HB2 LYS 40 33.052 4.909 -16.201
305 HB3 LYS 40 HB1 LYS 40 32.871 5.070 -17.949
306 HG2 LYS 40 HG2 LYS 40 33.193 7.507 -17.762
307 HG3 LYS 40 HG1 LYS 40 33.374 7.350 -16.018
308 HD2 LYS 40 HD2 LYS 40 35.346 5.900 -16.349
309 HD3 LYS 40 HD1 LYS 40 35.172 6.062 -18.095
310 HE2 LYS 40 HE2 LYS 40 35.634 8.356 -16.167
311 HE3 LYS 40 HE1 LYS 40 36.863 7.635 -17.202
312 HZ1 LYS 40 HZ1 LYS 40 35.044 9.638 -17.849
313 HZ2 LYS 40 HZ2 LYS 40 34.610 8.268 -18.751
314 HZ3 LYS 40 HZ3 LYS 40 36.183 8.902 -18.862
315 H LYS 41 HN LYS 41 30.012 5.089 -18.904
316 HA LYS 41 HA LYS 41 28.569 2.908 -17.573
317 HB2 LYS 41 HB2 LYS 41 28.396 4.076 -20.352
318 HB3 LYS 41 HB1 LYS 41 27.459 2.687 -19.812
319 HG2 LYS 41 HG2 LYS 41 26.454 4.026 -18.025
320 HG3 LYS 41 HG1 LYS 41 27.412 5.425 -18.508
321 HD2 LYS 41 HD2 LYS 41 26.330 5.434 -20.706
322 HD3 LYS 41 HD1 LYS 41 25.416 3.983 -20.280
323 HE2 LYS 41 HE2 LYS 41 23.975 5.891 -19.929
324 HE3 LYS 41 HE1 LYS 41 24.434 5.255 -18.353
325 HZ1 LYS 41 HZ1 LYS 41 25.750 7.538 -19.724
326 HZ2 LYS 41 HZ2 LYS 41 26.136 6.935 -18.181
327 HZ3 LYS 41 HZ3 LYS 41 24.631 7.668 -18.454
328 H LYS 42 HN LYS 42 28.792 0.752 -18.083
329 HA LYS 42 HA LYS 42 31.279 0.068 -19.487
330 HB2 LYS 42 HB2 LYS 42 29.498 -1.509 -17.618
331 HB3 LYS 42 HB1 LYS 42 30.885 -2.201 -18.457
332 HG2 LYS 42 HG2 LYS 42 32.340 -0.481 -17.438
333 HG3 LYS 42 HG1 LYS 42 30.951 0.159 -16.563
334 HD2 LYS 42 HD2 LYS 42 30.675 -1.967 -15.379
335 HD3 LYS 42 HD1 LYS 42 31.993 -2.680 -16.310
336 HE2 LYS 42 HE2 LYS 42 32.822 -1.958 -14.124
337 HE3 LYS 42 HE1 LYS 42 33.536 -0.963 -15.396
338 HZ1 LYS 42 HZ1 LYS 42 32.711 0.806 -14.388
339 HZ2 LYS 42 HZ2 LYS 42 31.943 -0.161 -13.220
340 HZ3 LYS 42 HZ3 LYS 42 31.141 0.230 -14.666
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 34.706 -6.871 15.177
2 H2 MET 1 HT2 MET 1 35.050 -6.907 16.842
3 H3 MET 1 HT3 MET 1 34.061 -8.103 16.146
4 HA MET 1 HA MET 1 36.191 -9.067 16.509
5 HB2 MET 1 HB2 MET 1 35.739 -8.304 13.612
6 HB3 MET 1 HB1 MET 1 36.833 -9.574 14.151
7 HG2 MET 1 HG2 MET 1 34.888 -10.671 15.298
8 HG3 MET 1 HG1 MET 1 33.838 -9.461 14.561
9 HE1 MET 1 HE1 MET 1 33.175 -12.525 13.954
10 HE2 MET 1 HE2 MET 1 32.721 -12.173 12.288
11 HE3 MET 1 HE3 MET 1 32.389 -10.993 13.553
12 H ALA 2 HN ALA 2 38.482 -9.080 15.856
13 HA ALA 2 HA ALA 2 39.784 -6.655 16.505
14 HB1 ALA 2 HB1 ALA 2 41.348 -8.652 15.012
15 HB2 ALA 2 HB2 ALA 2 40.496 -9.290 16.419
16 HB3 ALA 2 HB3 ALA 2 41.634 -7.959 16.609
17 H GLU 3 HN GLU 3 40.754 -5.117 15.254
18 HA GLU 3 HA GLU 3 39.818 -4.693 12.617
19 HB2 GLU 3 HB2 GLU 3 42.025 -3.392 14.208
20 HB3 GLU 3 HB1 GLU 3 41.558 -2.860 12.590
21 HG2 GLU 3 HG2 GLU 3 39.273 -2.456 13.344
22 HG3 GLU 3 HG1 GLU 3 39.665 -3.074 14.947
23 H ALA 4 HN ALA 4 42.685 -6.268 13.858
24 HA ALA 4 HA ALA 4 44.263 -6.149 11.517
25 HB1 ALA 4 HB1 ALA 4 44.251 -8.444 13.483
26 HB2 ALA 4 HB2 ALA 4 44.985 -6.885 13.856
27 HB3 ALA 4 HB3 ALA 4 45.599 -7.852 12.514
28 H HIS 5 HN HIS 5 41.701 -8.333 12.571
29 HA HIS 5 HA HIS 5 42.061 -10.270 10.522
30 HB2 HIS 5 HB2 HIS 5 39.744 -9.574 12.317
31 HB3 HIS 5 HB1 HIS 5 39.650 -10.863 11.114
32 HD2 HIS 5 HD2 HIS 5 40.290 -10.880 14.703
33 HE1 HIS 5 HE1 HIS 5 43.190 -13.581 13.250
34 HE2 HIS 5 HE2 HIS 5 41.997 -12.753 15.331
35 H GLN 6 HN GLN 6 39.912 -7.459 10.808
36 HA GLN 6 HA GLN 6 39.372 -7.659 7.900
37 HB2 GLN 6 HB2 GLN 6 37.379 -8.185 9.273
38 HB3 GLN 6 HB1 GLN 6 37.541 -6.627 10.078
39 HG2 GLN 6 HG2 GLN 6 35.871 -6.458 8.307
40 HG3 GLN 6 HG1 GLN 6 37.271 -5.486 7.881
41 HE21 GLN 6 HE21 GLN 6 37.430 -5.669 5.633
42 HE22 GLN 6 HE22 GLN 6 37.412 -7.135 4.785
43 H ALA 7 HN ALA 7 39.998 -5.934 6.747
44 HA ALA 7 HA ALA 7 41.235 -3.682 7.997
45 HB1 ALA 7 HB1 ALA 7 40.328 -3.743 5.129
46 HB2 ALA 7 HB2 ALA 7 41.707 -4.701 5.667
47 HB3 ALA 7 HB3 ALA 7 41.740 -2.945 5.827
48 H VAL 8 HN VAL 8 40.536 -1.527 8.052
49 HA VAL 8 HA VAL 8 37.636 -1.101 7.618
50 HB VAL 8 HB VAL 8 37.958 -1.326 9.987
51 HG11 VAL 8 HG11 VAL 8 39.648 -0.056 11.207
52 HG12 VAL 8 HG12 VAL 8 40.160 0.743 9.727
53 HG13 VAL 8 HG13 VAL 8 40.437 -0.983 9.935
54 HG21 VAL 8 HG21 VAL 8 38.054 1.657 9.590
55 HG22 VAL 8 HG22 VAL 8 37.060 0.720 10.704
56 HG23 VAL 8 HG23 VAL 8 36.687 0.726 8.982
57 H ALA 9 HN ALA 9 37.103 0.711 6.520
58 HA ALA 9 HA ALA 9 39.248 2.677 5.970
59 HB1 ALA 9 HB1 ALA 9 37.980 1.118 4.133
60 HB2 ALA 9 HB2 ALA 9 38.670 2.702 3.777
61 HB3 ALA 9 HB3 ALA 9 36.948 2.547 4.126
62 H PHE 10 HN PHE 10 36.147 2.149 7.306
63 HA PHE 10 HA PHE 10 35.883 5.023 7.748
64 HB2 PHE 10 HB2 PHE 10 33.658 5.207 7.004
65 HB3 PHE 10 HB1 PHE 10 34.506 4.348 5.728
66 HD1 PHE 10 HD1 PHE 10 34.541 1.581 7.276
67 HD2 PHE 10 HD2 PHE 10 31.463 4.451 6.408
68 HE1 PHE 10 HE1 PHE 10 32.848 -0.197 7.433
69 HE2 PHE 10 HE2 PHE 10 29.763 2.652 6.561
70 HZ PHE 10 HZ PHE 10 30.457 0.330 7.076
71 H GLN 11 HN GLN 11 35.312 5.561 9.767
72 HA GLN 11 HA GLN 11 34.091 3.465 11.477
73 HB2 GLN 11 HB2 GLN 11 36.318 5.376 12.229
74 HB3 GLN 11 HB1 GLN 11 35.445 4.361 13.375
75 HG2 GLN 11 HG2 GLN 11 36.159 2.346 12.134
76 HG3 GLN 11 HG1 GLN 11 37.049 3.364 11.003
77 HE21 GLN 11 HE21 GLN 11 38.225 1.304 12.778
78 HE22 GLN 11 HE22 GLN 11 39.316 2.119 13.792
79 H PHE 12 HN PHE 12 32.378 4.082 12.670
80 HA PHE 12 HA PHE 12 31.780 6.973 12.787
81 HB2 PHE 12 HB2 PHE 12 30.300 6.160 11.175
82 HB3 PHE 12 HB1 PHE 12 30.090 4.622 11.997
83 HD1 PHE 12 HD1 PHE 12 29.894 7.897 13.766
84 HD2 PHE 12 HD2 PHE 12 27.712 4.662 11.976
85 HE1 PHE 12 HE1 PHE 12 27.819 8.698 14.832
86 HE2 PHE 12 HE2 PHE 12 25.629 5.481 13.032
87 HZ PHE 12 HZ PHE 12 25.680 7.503 14.462
88 H THR 13 HN THR 13 31.650 7.636 14.853
89 HA THR 13 HA THR 13 30.701 5.702 16.878
90 HB THR 13 HB THR 13 32.333 7.033 18.408
91 HG1 THR 13 HG1 THR 13 33.462 7.402 15.840
92 HG21 THR 13 HG21 THR 13 34.240 5.494 17.305
93 HG22 THR 13 HG22 THR 13 32.831 4.816 16.490
94 HG23 THR 13 HG23 THR 13 32.917 4.821 18.254
95 H VAL 14 HN VAL 14 29.165 6.341 18.182
96 HA VAL 14 HA VAL 14 28.272 9.130 18.006
97 HB VAL 14 HB VAL 14 26.596 7.363 17.581
98 HG11 VAL 14 HG11 VAL 14 26.037 5.726 19.179
99 HG12 VAL 14 HG12 VAL 14 26.843 6.596 20.484
100 HG13 VAL 14 HG13 VAL 14 27.800 5.778 19.247
101 HG21 VAL 14 HG21 VAL 14 25.121 8.821 18.457
102 HG22 VAL 14 HG22 VAL 14 26.395 9.513 19.459
103 HG23 VAL 14 HG23 VAL 14 25.429 8.167 20.067
104 H THR 15 HN THR 15 28.707 10.537 19.648
105 HA THR 15 HA THR 15 29.397 9.350 22.267
106 HB THR 15 HB THR 15 31.344 10.455 22.317
107 HG1 THR 15 HG1 THR 15 30.289 12.768 21.137
108 HG21 THR 15 HG21 THR 15 30.720 11.415 19.517
109 HG22 THR 15 HG22 THR 15 31.236 9.767 19.881
110 HG23 THR 15 HG23 THR 15 32.308 11.122 20.223
111 HA PRO 16 HA PRO 16 26.306 11.823 24.196
112 HB2 PRO 16 HB2 PRO 16 28.418 13.155 25.830
113 HB3 PRO 16 HB1 PRO 16 26.949 12.320 26.361
114 HG2 PRO 16 HG2 PRO 16 29.389 11.236 26.596
115 HG3 PRO 16 HG1 PRO 16 27.935 10.267 26.312
116 HD2 PRO 16 HD2 PRO 16 30.155 10.900 24.448
117 HD3 PRO 16 HD1 PRO 16 29.018 9.532 24.448
118 H ASP 17 HN ASP 17 29.352 13.518 23.369
119 HA ASP 17 HA ASP 17 28.076 16.069 23.185
120 HB2 ASP 17 HB2 ASP 17 30.790 15.051 22.356
121 HB3 ASP 17 HB1 ASP 17 30.277 16.722 22.120
122 H GLY 18 HN GLY 18 28.273 13.385 20.927
123 HA2 GLY 18 HA2 GLY 18 26.579 14.394 19.070
124 HA3 GLY 18 HA1 GLY 18 28.113 15.106 18.587
125 H ILE 19 HN ILE 19 28.573 13.990 16.729
126 HA ILE 19 HA ILE 19 28.961 11.093 16.991
127 HB ILE 19 HB ILE 19 28.213 10.975 14.572
128 HG12 ILE 19 HG12 ILE 19 26.912 13.621 15.228
129 HG13 ILE 19 HG11 ILE 19 28.401 13.498 14.287
130 HG21 ILE 19 HG21 ILE 19 25.750 11.156 15.222
131 HG22 ILE 19 HG22 ILE 19 26.308 11.744 16.790
132 HG23 ILE 19 HG23 ILE 19 26.729 10.122 16.260
133 HD11 ILE 19 HD11 ILE 19 26.193 13.590 12.966
134 HD12 ILE 19 HD12 ILE 19 25.924 11.944 13.537
135 HD13 ILE 19 HD13 ILE 19 27.327 12.310 12.537
136 H ASP 20 HN ASP 20 30.622 10.289 15.768
137 HA ASP 20 HA ASP 20 32.416 12.266 14.492
138 HB2 ASP 20 HB2 ASP 20 33.251 11.627 16.742
139 HB3 ASP 20 HB1 ASP 20 33.302 9.949 16.212
140 H LEU 21 HN LEU 21 33.364 11.649 12.598
141 HA LEU 21 HA LEU 21 32.996 8.875 11.736
142 HB2 LEU 21 HB2 LEU 21 32.498 9.884 9.436
143 HB3 LEU 21 HB1 LEU 21 31.213 9.955 10.637
144 HG LEU 21 HG LEU 21 33.033 12.271 10.710
145 HD11 LEU 21 HD11 LEU 21 32.136 13.312 8.687
146 HD12 LEU 21 HD12 LEU 21 31.180 11.870 8.343
147 HD13 LEU 21 HD13 LEU 21 32.940 11.807 8.254
148 HD21 LEU 21 HD21 LEU 21 30.019 12.014 10.454
149 HD22 LEU 21 HD22 LEU 21 30.909 13.450 10.959
150 HD23 LEU 21 HD23 LEU 21 30.895 12.020 11.988
151 H ARG 22 HN ARG 22 34.888 8.090 11.224
152 HA ARG 22 HA ARG 22 36.999 9.917 10.207
153 HB2 ARG 22 HB2 ARG 22 37.240 7.499 11.994
154 HB3 ARG 22 HB1 ARG 22 38.616 8.329 11.269
155 HG2 ARG 22 HG2 ARG 22 37.932 10.430 12.367
156 HG3 ARG 22 HG1 ARG 22 36.550 9.604 13.091
157 HD2 ARG 22 HD2 ARG 22 38.119 8.034 14.213
158 HD3 ARG 22 HD1 ARG 22 39.469 8.945 13.548
159 HE ARG 22 HE ARG 22 37.679 10.621 15.044
160 HH11 ARG 22 HH21 ARG 22 40.192 8.275 15.196
161 HH12 ARG 22 HH22 ARG 22 40.835 8.831 16.704
162 HH21 ARG 22 HH11 ARG 22 38.507 11.386 17.044
163 HH22 ARG 22 HH12 ARG 22 39.890 10.611 17.744
164 H LEU 23 HN LEU 23 38.117 9.377 8.387
165 HA LEU 23 HA LEU 23 37.736 6.681 7.331
166 HB2 LEU 23 HB2 LEU 23 37.314 7.726 5.068
167 HB3 LEU 23 HB1 LEU 23 35.998 7.860 6.233
168 HG LEU 23 HG LEU 23 37.909 10.086 6.387
169 HD11 LEU 23 HD11 LEU 23 38.024 9.727 3.962
170 HD12 LEU 23 HD12 LEU 23 37.090 11.178 4.310
171 HD13 LEU 23 HD13 LEU 23 36.263 9.684 3.866
172 HD21 LEU 23 HD21 LEU 23 35.725 10.051 7.537
173 HD22 LEU 23 HD22 LEU 23 34.902 9.911 5.983
174 HD23 LEU 23 HD23 LEU 23 35.796 11.380 6.378
175 H SER 24 HN SER 24 39.470 5.896 6.312
176 HA SER 24 HA SER 24 41.944 7.347 6.492
177 HB2 SER 24 HB2 SER 24 41.199 4.613 5.496
178 HB3 SER 24 HB1 SER 24 42.820 5.260 5.252
179 HG SER 24 HG SER 24 42.908 5.605 7.524
180 H HIS 25 HN HIS 25 43.306 7.978 4.856
181 HA HIS 25 HA HIS 25 42.184 9.228 2.624
182 HB2 HIS 25 HB2 HIS 25 45.036 8.318 3.122
183 HB3 HIS 25 HB1 HIS 25 44.550 9.306 1.743
184 HD2 HIS 25 HD2 HIS 25 45.993 10.023 5.092
185 HE1 HIS 25 HE1 HIS 25 43.321 13.233 4.473
186 HE2 HIS 25 HE2 HIS 25 45.245 12.391 5.899
187 H GLU 26 HN GLU 26 43.209 5.984 3.195
188 HA GLU 26 HA GLU 26 43.376 5.088 0.494
189 HB2 GLU 26 HB2 GLU 26 42.802 3.555 3.049
190 HB3 GLU 26 HB1 GLU 26 43.097 2.805 1.479
191 HG2 GLU 26 HG2 GLU 26 45.039 4.690 2.840
192 HG3 GLU 26 HG1 GLU 26 45.143 2.930 2.927
193 H ALA 27 HN ALA 27 40.744 5.316 2.845
194 HA ALA 27 HA ALA 27 38.770 3.896 1.427
195 HB1 ALA 27 HB1 ALA 27 38.848 5.153 3.847
196 HB2 ALA 27 HB2 ALA 27 37.370 4.584 3.075
197 HB3 ALA 27 HB3 ALA 27 37.853 6.271 2.917
198 H LEU 28 HN LEU 28 39.922 7.178 1.233
199 HA LEU 28 HA LEU 28 37.900 8.249 -0.473
200 HB2 LEU 28 HB2 LEU 28 40.755 9.110 0.030
201 HB3 LEU 28 HB1 LEU 28 39.621 10.031 -0.947
202 HG LEU 28 HG LEU 28 39.129 9.247 1.942
203 HD11 LEU 28 HD11 LEU 28 40.832 11.285 0.856
204 HD12 LEU 28 HD12 LEU 28 40.448 10.962 2.549
205 HD13 LEU 28 HD13 LEU 28 39.440 12.060 1.612
206 HD21 LEU 28 HD21 LEU 28 37.572 10.680 -0.154
207 HD22 LEU 28 HD22 LEU 28 37.558 11.403 1.453
208 HD23 LEU 28 HD23 LEU 28 37.006 9.748 1.232
209 H ARG 29 HN ARG 29 41.044 6.767 -1.061
210 HA ARG 29 HA ARG 29 41.177 7.282 -3.823
211 HB2 ARG 29 HB2 ARG 29 43.116 6.576 -2.449
212 HB3 ARG 29 HB1 ARG 29 42.406 4.970 -2.301
213 HG2 ARG 29 HG2 ARG 29 42.486 4.698 -4.749
214 HG3 ARG 29 HG1 ARG 29 43.180 6.314 -4.910
215 HD2 ARG 29 HD2 ARG 29 45.068 5.552 -3.414
216 HD3 ARG 29 HD1 ARG 29 44.411 3.921 -3.526
217 HE ARG 29 HE ARG 29 45.782 5.394 -5.643
218 HH11 ARG 29 HH21 ARG 29 43.822 2.698 -4.703
219 HH12 ARG 29 HH22 ARG 29 44.266 1.730 -6.070
220 HH21 ARG 29 HH11 ARG 29 46.352 4.125 -7.442
221 HH22 ARG 29 HH12 ARG 29 45.674 2.539 -7.624
222 H GLN 30 HN GLN 30 39.780 4.544 -2.037
223 HA GLN 30 HA GLN 30 39.192 3.031 -4.389
224 HB2 GLN 30 HB2 GLN 30 38.046 2.930 -1.592
225 HB3 GLN 30 HB1 GLN 30 37.667 1.763 -2.862
226 HG2 GLN 30 HG2 GLN 30 40.049 1.180 -3.056
227 HG3 GLN 30 HG1 GLN 30 40.446 2.361 -1.809
228 HE21 GLN 30 HE21 GLN 30 40.984 1.125 0.012
229 HE22 GLN 30 HE22 GLN 30 40.029 -0.131 0.632
230 H ILE 31 HN ILE 31 37.381 5.284 -2.361
231 HA ILE 31 HA ILE 31 34.904 4.991 -3.644
232 HB ILE 31 HB ILE 31 36.099 7.288 -2.102
233 HG12 ILE 31 HG12 ILE 31 33.861 5.400 -1.347
234 HG13 ILE 31 HG11 ILE 31 35.548 5.041 -0.990
235 HG21 ILE 31 HG21 ILE 31 34.475 8.385 -3.378
236 HG22 ILE 31 HG22 ILE 31 33.561 7.899 -1.950
237 HG23 ILE 31 HG23 ILE 31 33.427 6.967 -3.442
238 HD11 ILE 31 HD11 ILE 31 34.083 7.549 -0.119
239 HD12 ILE 31 HD12 ILE 31 35.748 7.127 0.285
240 HD13 ILE 31 HD13 ILE 31 34.414 6.163 0.918
241 H TYR 32 HN TYR 32 37.519 7.398 -4.330
242 HA TYR 32 HA TYR 32 36.074 8.784 -6.321
243 HB2 TYR 32 HB2 TYR 32 38.119 9.723 -5.414
244 HB3 TYR 32 HB1 TYR 32 39.059 8.367 -6.032
245 HD1 TYR 32 HD1 TYR 32 37.095 11.363 -6.974
246 HD2 TYR 32 HD2 TYR 32 39.663 8.215 -8.375
247 HE1 TYR 32 HE1 TYR 32 37.362 12.541 -9.138
248 HE2 TYR 32 HE2 TYR 32 39.926 9.395 -10.539
249 HH TYR 32 HH TYR 32 39.752 11.819 -11.340
250 H LEU 33 HN LEU 33 38.377 6.086 -6.603
251 HA LEU 33 HA LEU 33 38.232 5.822 -9.404
252 HB2 LEU 33 HB2 LEU 33 38.919 3.870 -7.212
253 HB3 LEU 33 HB1 LEU 33 39.041 3.458 -8.920
254 HG LEU 33 HG LEU 33 40.407 5.850 -7.652
255 HD11 LEU 33 HD11 LEU 33 42.481 4.399 -7.956
256 HD12 LEU 33 HD12 LEU 33 41.383 3.041 -8.186
257 HD13 LEU 33 HD13 LEU 33 41.389 3.919 -6.657
258 HD21 LEU 33 HD21 LEU 33 40.545 6.392 -9.870
259 HD22 LEU 33 HD22 LEU 33 40.198 4.752 -10.403
260 HD23 LEU 33 HD23 LEU 33 41.826 5.185 -9.893
261 H SER 34 HN SER 34 36.352 4.203 -6.828
262 HA SER 34 HA SER 34 34.895 2.485 -8.528
263 HB2 SER 34 HB2 SER 34 33.308 2.342 -6.656
264 HB3 SER 34 HB1 SER 34 34.970 2.248 -6.076
265 HG SER 34 HG SER 34 33.920 3.733 -4.813
266 H GLY 35 HN GLY 35 34.479 5.827 -7.559
267 HA2 GLY 35 HA2 GLY 35 31.880 6.186 -8.714
268 HA3 GLY 35 HA1 GLY 35 32.979 7.467 -8.205
269 H LEU 36 HN LEU 36 35.199 6.681 -9.716
270 HA LEU 36 HA LEU 36 34.781 8.044 -12.111
271 HB2 LEU 36 HB2 LEU 36 36.988 7.808 -11.051
272 HB3 LEU 36 HB1 LEU 36 36.968 6.081 -11.389
273 HG LEU 36 HG LEU 36 36.878 6.552 -13.816
274 HD11 LEU 36 HD11 LEU 36 37.533 9.087 -14.294
275 HD12 LEU 36 HD12 LEU 36 36.652 9.354 -12.789
276 HD13 LEU 36 HD13 LEU 36 35.843 8.595 -14.159
277 HD21 LEU 36 HD21 LEU 36 39.058 6.530 -12.333
278 HD22 LEU 36 HD22 LEU 36 39.124 8.238 -12.758
279 HD23 LEU 36 HD23 LEU 36 39.149 7.010 -14.026
280 H HIS 37 HN HIS 37 34.794 4.582 -11.377
281 HA HIS 37 HA HIS 37 34.492 3.780 -14.120
282 HB2 HIS 37 HB2 HIS 37 34.113 2.271 -11.523
283 HB3 HIS 37 HB1 HIS 37 33.998 1.537 -13.124
284 HD2 HIS 37 HD2 HIS 37 36.686 1.999 -10.557
285 HE1 HIS 37 HE1 HIS 37 38.743 2.101 -14.241
286 HE2 HIS 37 HE2 HIS 37 39.018 1.893 -11.726
287 H SER 38 HN SER 38 32.374 4.602 -11.487
288 HA SER 38 HA SER 38 29.967 3.473 -12.500
289 HB2 SER 38 HB2 SER 38 30.414 5.825 -10.654
290 HB3 SER 38 HB1 SER 38 28.844 5.091 -10.973
291 HG SER 38 HG SER 38 30.948 3.410 -10.252
292 H TRP 39 HN TRP 39 31.460 6.722 -12.893
293 HA TRP 39 HA TRP 39 29.299 7.765 -14.422
294 HB2 TRP 39 HB2 TRP 39 30.793 9.327 -13.391
295 HB3 TRP 39 HB1 TRP 39 32.198 8.581 -14.149
296 HD1 TRP 39 HD1 TRP 39 32.949 9.597 -16.361
297 HE1 TRP 39 HE1 TRP 39 31.901 11.183 -18.104
298 HE3 TRP 39 HE3 TRP 39 28.245 10.029 -14.434
299 HZ2 TRP 39 HZ2 TRP 39 29.396 12.464 -18.610
300 HZ3 TRP 39 HZ3 TRP 39 26.549 11.437 -15.559
301 HH2 TRP 39 HH2 TRP 39 27.116 12.653 -17.644
302 H LYS 40 HN LYS 40 32.253 5.999 -15.182
303 HA LYS 40 HA LYS 40 31.994 6.341 -18.022
304 HB2 LYS 40 HB2 LYS 40 33.637 4.420 -16.358
305 HB3 LYS 40 HB1 LYS 40 33.701 4.491 -18.121
306 HG2 LYS 40 HG2 LYS 40 34.333 6.875 -18.005
307 HG3 LYS 40 HG1 LYS 40 34.287 6.801 -16.244
308 HD2 LYS 40 HD2 LYS 40 36.060 5.070 -16.280
309 HD3 LYS 40 HD1 LYS 40 36.117 5.181 -18.040
310 HE2 LYS 40 HE2 LYS 40 36.726 7.569 -17.868
311 HE3 LYS 40 HE1 LYS 40 36.683 7.449 -16.109
312 HZ1 LYS 40 HZ1 LYS 40 38.926 7.199 -17.211
313 HZ2 LYS 40 HZ2 LYS 40 38.381 5.685 -17.765
314 HZ3 LYS 40 HZ3 LYS 40 38.493 5.993 -16.098
315 H LYS 41 HN LYS 41 31.239 4.903 -19.539
316 HA LYS 41 HA LYS 41 29.289 2.941 -18.541
317 HB2 LYS 41 HB2 LYS 41 29.693 4.242 -21.247
318 HB3 LYS 41 HB1 LYS 41 28.517 2.961 -20.950
319 HG2 LYS 41 HG2 LYS 41 27.400 4.335 -19.262
320 HG3 LYS 41 HG1 LYS 41 28.600 5.610 -19.472
321 HD2 LYS 41 HD2 LYS 41 27.911 5.867 -21.830
322 HD3 LYS 41 HD1 LYS 41 26.709 4.592 -21.619
323 HE2 LYS 41 HE2 LYS 41 25.608 5.951 -19.856
324 HE3 LYS 41 HE1 LYS 41 26.787 7.232 -20.129
325 HZ1 LYS 41 HZ1 LYS 41 24.480 7.200 -21.359
326 HZ2 LYS 41 HZ2 LYS 41 25.328 6.206 -22.445
327 HZ3 LYS 41 HZ3 LYS 41 25.882 7.781 -22.120
328 H LYS 42 HN LYS 42 29.337 0.777 -19.168
329 HA LYS 42 HA LYS 42 31.931 -0.124 -20.224
330 HB2 LYS 42 HB2 LYS 42 29.754 -1.587 -18.722
331 HB3 LYS 42 HB1 LYS 42 31.148 -2.392 -19.437
332 HG2 LYS 42 HG2 LYS 42 32.657 -0.949 -18.109
333 HG3 LYS 42 HG1 LYS 42 31.256 -0.174 -17.371
334 HD2 LYS 42 HD2 LYS 42 30.532 -2.372 -16.476
335 HD3 LYS 42 HD1 LYS 42 31.970 -3.116 -17.179
336 HE2 LYS 42 HE2 LYS 42 33.401 -1.626 -15.819
337 HE3 LYS 42 HE1 LYS 42 31.960 -0.908 -15.100
338 HZ1 LYS 42 HZ1 LYS 42 32.854 -2.613 -13.667
339 HZ2 LYS 42 HZ2 LYS 42 32.771 -3.760 -14.917
340 HZ3 LYS 42 HZ3 LYS 42 31.344 -3.105 -14.267
Start of MODEL 11
1 H1 MET 1 HT1 MET 1 42.017 -8.858 13.518
2 H2 MET 1 HT2 MET 1 43.466 -9.602 13.032
3 H3 MET 1 HT3 MET 1 43.460 -8.520 14.342
4 HA MET 1 HA MET 1 43.369 -11.175 14.601
5 HB2 MET 1 HB2 MET 1 42.166 -9.020 16.362
6 HB3 MET 1 HB1 MET 1 42.460 -10.675 16.898
7 HG2 MET 1 HG2 MET 1 44.858 -10.423 16.370
8 HG3 MET 1 HG1 MET 1 44.566 -8.767 15.838
9 HE1 MET 1 HE1 MET 1 46.587 -8.485 19.069
10 HE2 MET 1 HE2 MET 1 46.112 -7.344 17.813
11 HE3 MET 1 HE3 MET 1 46.639 -8.965 17.366
12 H ALA 2 HN ALA 2 40.573 -10.017 16.189
13 HA ALA 2 HA ALA 2 38.932 -12.114 15.241
14 HB1 ALA 2 HB1 ALA 2 37.202 -11.149 16.547
15 HB2 ALA 2 HB2 ALA 2 37.915 -9.540 16.444
16 HB3 ALA 2 HB3 ALA 2 38.694 -10.790 17.414
17 H GLU 3 HN GLU 3 39.239 -8.716 14.317
18 HA GLU 3 HA GLU 3 37.029 -8.727 12.500
19 HB2 GLU 3 HB2 GLU 3 39.406 -6.880 12.796
20 HB3 GLU 3 HB1 GLU 3 38.078 -6.599 11.668
21 HG2 GLU 3 HG2 GLU 3 36.475 -6.563 13.514
22 HG3 GLU 3 HG1 GLU 3 37.758 -6.939 14.664
23 H ALA 4 HN ALA 4 37.037 -8.889 10.254
24 HA ALA 4 HA ALA 4 38.844 -10.738 9.115
25 HB1 ALA 4 HB1 ALA 4 37.435 -8.941 7.246
26 HB2 ALA 4 HB2 ALA 4 36.398 -9.768 8.408
27 HB3 ALA 4 HB3 ALA 4 37.437 -10.702 7.335
28 H HIS 5 HN HIS 5 38.645 -7.210 8.983
29 HA HIS 5 HA HIS 5 41.299 -7.165 7.670
30 HB2 HIS 5 HB2 HIS 5 39.009 -5.200 7.447
31 HB3 HIS 5 HB1 HIS 5 40.624 -4.925 6.794
32 HD2 HIS 5 HD2 HIS 5 41.294 -6.554 4.538
33 HE1 HIS 5 HE1 HIS 5 37.427 -8.174 4.045
34 HE2 HIS 5 HE2 HIS 5 39.723 -7.948 2.986
35 H GLN 6 HN GLN 6 42.902 -6.190 8.752
36 HA GLN 6 HA GLN 6 42.549 -5.319 11.424
37 HB2 GLN 6 HB2 GLN 6 44.908 -4.669 11.319
38 HB3 GLN 6 HB1 GLN 6 44.671 -6.254 10.582
39 HG2 GLN 6 HG2 GLN 6 44.564 -5.138 8.342
40 HG3 GLN 6 HG1 GLN 6 44.956 -3.609 9.129
41 HE21 GLN 6 HE21 GLN 6 47.053 -3.382 8.131
42 HE22 GLN 6 HE22 GLN 6 48.341 -4.427 8.493
43 H ALA 7 HN ALA 7 42.832 -3.599 8.352
44 HA ALA 7 HA ALA 7 42.580 -1.020 9.734
45 HB1 ALA 7 HB1 ALA 7 42.636 -0.692 6.913
46 HB2 ALA 7 HB2 ALA 7 43.853 -1.899 7.327
47 HB3 ALA 7 HB3 ALA 7 43.903 -0.304 8.077
48 H VAL 8 HN VAL 8 40.927 0.463 9.222
49 HA VAL 8 HA VAL 8 38.534 -0.728 7.945
50 HB VAL 8 HB VAL 8 38.724 1.038 10.391
51 HG11 VAL 8 HG11 VAL 8 36.891 1.924 9.143
52 HG12 VAL 8 HG12 VAL 8 36.171 0.817 10.311
53 HG13 VAL 8 HG13 VAL 8 36.372 0.318 8.631
54 HG21 VAL 8 HG21 VAL 8 38.777 -1.699 10.153
55 HG22 VAL 8 HG22 VAL 8 37.051 -1.391 10.352
56 HG23 VAL 8 HG23 VAL 8 38.193 -0.832 11.574
57 H ALA 9 HN ALA 9 37.579 0.446 6.393
58 HA ALA 9 HA ALA 9 38.895 2.766 5.356
59 HB1 ALA 9 HB1 ALA 9 36.877 0.923 4.487
60 HB2 ALA 9 HB2 ALA 9 37.819 2.061 3.525
61 HB3 ALA 9 HB3 ALA 9 36.295 2.572 4.250
62 H PHE 10 HN PHE 10 35.910 2.210 7.193
63 HA PHE 10 HA PHE 10 35.923 5.060 7.858
64 HB2 PHE 10 HB2 PHE 10 33.271 4.792 7.610
65 HB3 PHE 10 HB1 PHE 10 34.307 5.391 6.325
66 HD1 PHE 10 HD1 PHE 10 34.235 1.788 7.355
67 HD2 PHE 10 HD2 PHE 10 32.893 4.727 4.521
68 HE1 PHE 10 HE1 PHE 10 33.506 -0.012 5.836
69 HE2 PHE 10 HE2 PHE 10 32.149 2.915 3.007
70 HZ PHE 10 HZ PHE 10 32.456 0.545 3.663
71 H GLN 11 HN GLN 11 35.312 5.601 9.864
72 HA GLN 11 HA GLN 11 34.129 3.488 11.574
73 HB2 GLN 11 HB2 GLN 11 36.409 5.355 12.247
74 HB3 GLN 11 HB1 GLN 11 35.536 4.405 13.447
75 HG2 GLN 11 HG2 GLN 11 36.162 2.334 12.293
76 HG3 GLN 11 HG1 GLN 11 36.986 3.265 11.045
77 HE21 GLN 11 HE21 GLN 11 37.549 1.578 13.894
78 HE22 GLN 11 HE22 GLN 11 39.009 2.317 14.348
79 H PHE 12 HN PHE 12 32.387 4.094 12.732
80 HA PHE 12 HA PHE 12 31.838 6.986 12.948
81 HB2 PHE 12 HB2 PHE 12 30.319 6.213 11.337
82 HB3 PHE 12 HB1 PHE 12 30.102 4.671 12.144
83 HD1 PHE 12 HD1 PHE 12 29.989 7.929 13.961
84 HD2 PHE 12 HD2 PHE 12 27.714 4.744 12.190
85 HE1 PHE 12 HE1 PHE 12 27.959 8.734 15.114
86 HE2 PHE 12 HE2 PHE 12 25.678 5.569 13.332
87 HZ PHE 12 HZ PHE 12 25.800 7.564 14.796
88 H THR 13 HN THR 13 31.726 7.628 15.017
89 HA THR 13 HA THR 13 30.765 5.676 17.043
90 HB THR 13 HB THR 13 32.725 7.722 17.889
91 HG1 THR 13 HG1 THR 13 33.619 5.307 16.762
92 HG21 THR 13 HG21 THR 13 32.404 4.778 18.511
93 HG22 THR 13 HG22 THR 13 31.635 6.080 19.420
94 HG23 THR 13 HG23 THR 13 33.393 5.939 19.398
95 H VAL 14 HN VAL 14 29.249 6.328 18.373
96 HA VAL 14 HA VAL 14 28.351 9.118 18.210
97 HB VAL 14 HB VAL 14 27.030 6.614 19.275
98 HG11 VAL 14 HG11 VAL 14 25.019 8.325 19.286
99 HG12 VAL 14 HG12 VAL 14 26.305 9.519 19.468
100 HG13 VAL 14 HG13 VAL 14 26.113 8.240 20.667
101 HG21 VAL 14 HG21 VAL 14 27.089 6.768 16.834
102 HG22 VAL 14 HG22 VAL 14 26.473 8.419 16.901
103 HG23 VAL 14 HG23 VAL 14 25.448 7.075 17.402
104 H THR 15 HN THR 15 28.785 10.527 19.844
105 HA THR 15 HA THR 15 29.445 9.365 22.481
106 HB THR 15 HB THR 15 31.294 10.685 22.690
107 HG1 THR 15 HG1 THR 15 31.295 12.770 22.156
108 HG21 THR 15 HG21 THR 15 31.005 10.899 19.685
109 HG22 THR 15 HG22 THR 15 31.486 9.417 20.510
110 HG23 THR 15 HG23 THR 15 32.503 10.854 20.616
111 HA PRO 16 HA PRO 16 26.226 11.811 24.273
112 HB2 PRO 16 HB2 PRO 16 28.241 13.122 26.032
113 HB3 PRO 16 HB1 PRO 16 26.756 12.259 26.470
114 HG2 PRO 16 HG2 PRO 16 29.226 11.217 26.787
115 HG3 PRO 16 HG1 PRO 16 27.781 10.238 26.499
116 HD2 PRO 16 HD2 PRO 16 30.043 10.788 24.682
117 HD3 PRO 16 HD1 PRO 16 28.840 9.480 24.640
118 H ASP 17 HN ASP 17 29.314 13.469 23.547
119 HA ASP 17 HA ASP 17 28.114 16.062 23.366
120 HB2 ASP 17 HB2 ASP 17 30.803 14.972 22.543
121 HB3 ASP 17 HB1 ASP 17 30.340 16.660 22.328
122 H GLY 18 HN GLY 18 28.332 13.376 21.111
123 HA2 GLY 18 HA2 GLY 18 26.681 14.418 19.229
124 HA3 GLY 18 HA1 GLY 18 28.238 15.099 18.776
125 H ILE 19 HN ILE 19 28.712 13.991 16.933
126 HA ILE 19 HA ILE 19 29.032 11.081 17.168
127 HB ILE 19 HB ILE 19 28.317 10.992 14.749
128 HG12 ILE 19 HG12 ILE 19 27.239 13.757 15.342
129 HG13 ILE 19 HG11 ILE 19 28.661 13.442 14.348
130 HG21 ILE 19 HG21 ILE 19 26.315 10.335 15.562
131 HG22 ILE 19 HG22 ILE 19 25.860 12.009 15.866
132 HG23 ILE 19 HG23 ILE 19 26.730 11.097 17.097
133 HD11 ILE 19 HD11 ILE 19 25.948 13.431 13.527
134 HD12 ILE 19 HD12 ILE 19 26.499 11.756 13.470
135 HD13 ILE 19 HD13 ILE 19 27.363 13.001 12.566
136 H ASP 20 HN ASP 20 30.711 10.263 15.994
137 HA ASP 20 HA ASP 20 32.620 12.215 14.843
138 HB2 ASP 20 HB2 ASP 20 33.168 9.755 16.518
139 HB3 ASP 20 HB1 ASP 20 34.413 10.615 15.612
140 H LEU 21 HN LEU 21 33.402 11.736 12.814
141 HA LEU 21 HA LEU 21 32.845 9.044 11.753
142 HB2 LEU 21 HB2 LEU 21 32.293 11.745 10.477
143 HB3 LEU 21 HB1 LEU 21 32.491 10.290 9.514
144 HG LEU 21 HG LEU 21 30.123 10.726 9.874
145 HD11 LEU 21 HD11 LEU 21 30.530 8.483 11.764
146 HD12 LEU 21 HD12 LEU 21 31.283 8.330 10.178
147 HD13 LEU 21 HD13 LEU 21 29.540 8.565 10.311
148 HD21 LEU 21 HD21 LEU 21 30.863 11.720 12.330
149 HD22 LEU 21 HD22 LEU 21 30.118 10.181 12.762
150 HD23 LEU 21 HD23 LEU 21 29.209 11.372 11.838
151 H ARG 22 HN ARG 22 34.724 8.183 11.177
152 HA ARG 22 HA ARG 22 36.887 9.974 10.212
153 HB2 ARG 22 HB2 ARG 22 37.088 7.550 11.992
154 HB3 ARG 22 HB1 ARG 22 38.479 8.295 11.206
155 HG2 ARG 22 HG2 ARG 22 37.987 10.428 12.317
156 HG3 ARG 22 HG1 ARG 22 36.560 9.718 13.075
157 HD2 ARG 22 HD2 ARG 22 37.987 8.083 14.241
158 HD3 ARG 22 HD1 ARG 22 39.414 8.779 13.478
159 HE ARG 22 HE ARG 22 38.100 10.864 14.788
160 HH11 ARG 22 HH21 ARG 22 39.617 7.843 15.530
161 HH12 ARG 22 HH22 ARG 22 40.126 8.330 17.113
162 HH21 ARG 22 HH11 ARG 22 38.765 11.509 16.861
163 HH22 ARG 22 HH12 ARG 22 39.643 10.406 17.866
164 H LEU 23 HN LEU 23 37.986 9.439 8.396
165 HA LEU 23 HA LEU 23 37.524 6.769 7.273
166 HB2 LEU 23 HB2 LEU 23 37.120 9.357 5.751
167 HB3 LEU 23 HB1 LEU 23 37.074 7.735 5.059
168 HG LEU 23 HG LEU 23 35.281 7.397 7.040
169 HD11 LEU 23 HD11 LEU 23 34.632 10.193 6.161
170 HD12 LEU 23 HD12 LEU 23 35.715 9.951 7.531
171 HD13 LEU 23 HD13 LEU 23 34.071 9.315 7.584
172 HD21 LEU 23 HD21 LEU 23 34.894 6.946 4.659
173 HD22 LEU 23 HD22 LEU 23 34.746 8.674 4.341
174 HD23 LEU 23 HD23 LEU 23 33.537 7.854 5.328
175 H SER 24 HN SER 24 39.273 5.939 6.332
176 HA SER 24 HA SER 24 41.785 7.310 6.546
177 HB2 SER 24 HB2 SER 24 40.951 4.598 5.549
178 HB3 SER 24 HB1 SER 24 42.604 5.174 5.351
179 HG SER 24 HG SER 24 41.139 4.657 7.701
180 H HIS 25 HN HIS 25 43.215 7.833 4.895
181 HA HIS 25 HA HIS 25 42.156 9.150 2.652
182 HB2 HIS 25 HB2 HIS 25 44.948 8.144 3.241
183 HB3 HIS 25 HB1 HIS 25 44.551 9.127 1.832
184 HD2 HIS 25 HD2 HIS 25 44.104 11.866 2.386
185 HE1 HIS 25 HE1 HIS 25 44.770 11.614 6.547
186 HE2 HIS 25 HE2 HIS 25 44.425 13.210 4.602
187 H GLU 26 HN GLU 26 43.124 5.888 3.206
188 HA GLU 26 HA GLU 26 43.345 5.009 0.498
189 HB2 GLU 26 HB2 GLU 26 42.732 3.514 3.059
190 HB3 GLU 26 HB1 GLU 26 43.001 2.730 1.499
191 HG2 GLU 26 HG2 GLU 26 45.221 3.724 1.340
192 HG3 GLU 26 HG1 GLU 26 44.962 4.601 2.848
193 H ALA 27 HN ALA 27 40.726 5.345 2.831
194 HA ALA 27 HA ALA 27 38.748 3.838 1.402
195 HB1 ALA 27 HB1 ALA 27 37.105 4.801 2.849
196 HB2 ALA 27 HB2 ALA 27 38.073 6.254 3.096
197 HB3 ALA 27 HB3 ALA 27 38.572 4.733 3.830
198 H LEU 28 HN LEU 28 39.935 7.099 1.267
199 HA LEU 28 HA LEU 28 37.891 8.158 -0.428
200 HB2 LEU 28 HB2 LEU 28 40.738 9.122 -0.020
201 HB3 LEU 28 HB1 LEU 28 39.514 10.002 -0.929
202 HG LEU 28 HG LEU 28 39.164 9.143 1.958
203 HD11 LEU 28 HD11 LEU 28 39.334 11.949 1.789
204 HD12 LEU 28 HD12 LEU 28 40.696 11.332 0.853
205 HD13 LEU 28 HD13 LEU 28 40.495 10.855 2.540
206 HD21 LEU 28 HD21 LEU 28 37.006 9.569 1.298
207 HD22 LEU 28 HD22 LEU 28 37.499 10.601 -0.042
208 HD23 LEU 28 HD23 LEU 28 37.494 11.234 1.602
209 H ARG 29 HN ARG 29 41.016 6.685 -1.030
210 HA ARG 29 HA ARG 29 41.197 7.175 -3.782
211 HB2 ARG 29 HB2 ARG 29 42.297 4.933 -2.072
212 HB3 ARG 29 HB1 ARG 29 42.689 5.096 -3.783
213 HG2 ARG 29 HG2 ARG 29 43.560 7.368 -3.369
214 HG3 ARG 29 HG1 ARG 29 43.170 7.203 -1.655
215 HD2 ARG 29 HD2 ARG 29 44.693 5.264 -1.503
216 HD3 ARG 29 HD1 ARG 29 45.079 5.440 -3.213
217 HE ARG 29 HE ARG 29 45.598 7.899 -2.011
218 HH11 ARG 29 HH21 ARG 29 46.657 4.616 -1.843
219 HH12 ARG 29 HH22 ARG 29 48.274 5.017 -1.369
220 HH21 ARG 29 HH11 ARG 29 47.705 8.441 -1.386
221 HH22 ARG 29 HH12 ARG 29 48.873 7.192 -1.109
222 H GLN 30 HN GLN 30 39.703 4.415 -2.051
223 HA GLN 30 HA GLN 30 38.994 2.983 -4.435
224 HB2 GLN 30 HB2 GLN 30 37.846 2.865 -1.626
225 HB3 GLN 30 HB1 GLN 30 37.354 1.774 -2.923
226 HG2 GLN 30 HG2 GLN 30 39.697 1.041 -3.190
227 HG3 GLN 30 HG1 GLN 30 40.178 2.135 -1.895
228 HE21 GLN 30 HE21 GLN 30 40.904 -0.236 -1.115
229 HE22 GLN 30 HE22 GLN 30 39.767 -1.020 -0.127
230 H ILE 31 HN ILE 31 37.324 5.347 -2.375
231 HA ILE 31 HA ILE 31 34.809 5.094 -3.677
232 HB ILE 31 HB ILE 31 35.964 7.392 -2.096
233 HG12 ILE 31 HG12 ILE 31 33.802 5.395 -1.384
234 HG13 ILE 31 HG11 ILE 31 35.501 5.130 -1.013
235 HG21 ILE 31 HG21 ILE 31 33.330 7.072 -3.496
236 HG22 ILE 31 HG22 ILE 31 34.309 8.523 -3.270
237 HG23 ILE 31 HG23 ILE 31 33.366 7.877 -1.928
238 HD11 ILE 31 HD11 ILE 31 35.569 7.182 0.317
239 HD12 ILE 31 HD12 ILE 31 34.263 6.149 0.900
240 HD13 ILE 31 HD13 ILE 31 33.900 7.542 -0.118
241 H TYR 32 HN TYR 32 37.457 7.484 -4.296
242 HA TYR 32 HA TYR 32 36.013 8.901 -6.280
243 HB2 TYR 32 HB2 TYR 32 38.023 9.850 -5.310
244 HB3 TYR 32 HB1 TYR 32 39.001 8.531 -5.953
245 HD1 TYR 32 HD2 TYR 32 36.756 11.338 -6.960
246 HD2 TYR 32 HD1 TYR 32 39.865 8.624 -8.152
247 HE1 TYR 32 HE2 TYR 32 37.010 12.566 -9.098
248 HE2 TYR 32 HE1 TYR 32 40.117 9.851 -10.291
249 HH TYR 32 HH TYR 32 38.292 11.451 -11.708
250 H LEU 33 HN LEU 33 38.353 6.234 -6.559
251 HA LEU 33 HA LEU 33 38.259 6.022 -9.369
252 HB2 LEU 33 HB2 LEU 33 38.910 3.986 -7.233
253 HB3 LEU 33 HB1 LEU 33 39.108 3.679 -8.957
254 HG LEU 33 HG LEU 33 40.402 5.991 -7.476
255 HD11 LEU 33 HD11 LEU 33 42.473 4.703 -7.584
256 HD12 LEU 33 HD12 LEU 33 41.639 3.384 -8.405
257 HD13 LEU 33 HD13 LEU 33 41.246 3.767 -6.729
258 HD21 LEU 33 HD21 LEU 33 40.648 6.733 -9.611
259 HD22 LEU 33 HD22 LEU 33 40.222 5.169 -10.306
260 HD23 LEU 33 HD23 LEU 33 41.867 5.468 -9.751
261 H SER 34 HN SER 34 36.314 4.384 -6.845
262 HA SER 34 HA SER 34 34.921 2.636 -8.558
263 HB2 SER 34 HB2 SER 34 33.202 2.580 -6.784
264 HB3 SER 34 HB1 SER 34 34.827 2.432 -6.118
265 HG SER 34 HG SER 34 34.600 4.879 -5.997
266 H GLY 35 HN GLY 35 34.424 6.012 -7.737
267 HA2 GLY 35 HA2 GLY 35 31.890 6.291 -9.039
268 HA3 GLY 35 HA1 GLY 35 32.954 7.605 -8.537
269 H LEU 36 HN LEU 36 35.251 6.760 -9.940
270 HA LEU 36 HA LEU 36 34.891 8.030 -12.402
271 HB2 LEU 36 HB2 LEU 36 37.069 7.869 -11.262
272 HB3 LEU 36 HB1 LEU 36 37.093 6.131 -11.550
273 HG LEU 36 HG LEU 36 37.085 6.527 -13.989
274 HD11 LEU 36 HD11 LEU 36 37.667 9.065 -14.533
275 HD12 LEU 36 HD12 LEU 36 36.735 9.351 -13.064
276 HD13 LEU 36 HD13 LEU 36 35.992 8.522 -14.431
277 HD21 LEU 36 HD21 LEU 36 39.236 6.407 -12.745
278 HD22 LEU 36 HD22 LEU 36 39.202 8.161 -12.557
279 HD23 LEU 36 HD23 LEU 36 39.348 7.449 -14.164
280 H HIS 37 HN HIS 37 34.866 4.614 -11.524
281 HA HIS 37 HA HIS 37 34.703 3.670 -14.240
282 HB2 HIS 37 HB2 HIS 37 34.163 2.310 -11.589
283 HB3 HIS 37 HB1 HIS 37 34.149 1.491 -13.151
284 HD2 HIS 37 HD2 HIS 37 36.666 2.267 -10.436
285 HE1 HIS 37 HE1 HIS 37 38.950 1.762 -13.950
286 HE2 HIS 37 HE2 HIS 37 39.064 1.954 -11.420
287 H SER 38 HN SER 38 32.510 4.711 -11.775
288 HA SER 38 HA SER 38 30.114 3.529 -12.755
289 HB2 SER 38 HB2 SER 38 30.288 6.156 -11.281
290 HB3 SER 38 HB1 SER 38 28.970 4.989 -11.271
291 HG SER 38 HG SER 38 31.267 3.801 -10.548
292 H TRP 39 HN TRP 39 32.151 5.782 -14.183
293 HA TRP 39 HA TRP 39 30.271 7.585 -15.301
294 HB2 TRP 39 HB2 TRP 39 32.576 8.218 -15.263
295 HB3 TRP 39 HB1 TRP 39 33.056 6.759 -16.129
296 HD1 TRP 39 HD1 TRP 39 33.189 6.926 -18.666
297 HE1 TRP 39 HE1 TRP 39 32.413 8.632 -20.437
298 HE3 TRP 39 HE3 TRP 39 30.500 10.106 -15.710
299 HZ2 TRP 39 HZ2 TRP 39 30.858 11.029 -20.581
300 HZ3 TRP 39 HZ3 TRP 39 29.384 12.090 -16.688
301 HH2 TRP 39 HH2 TRP 39 29.560 12.556 -19.118
302 H LYS 40 HN LYS 40 31.536 4.456 -16.309
303 HA LYS 40 HA LYS 40 30.954 3.039 -18.022
304 HB2 LYS 40 HB2 LYS 40 28.769 3.185 -16.850
305 HB3 LYS 40 HB1 LYS 40 28.330 4.543 -17.887
306 HG2 LYS 40 HG2 LYS 40 28.544 3.125 -19.878
307 HG3 LYS 40 HG1 LYS 40 29.051 1.766 -18.873
308 HD2 LYS 40 HD2 LYS 40 26.880 1.835 -17.692
309 HD3 LYS 40 HD1 LYS 40 26.371 3.178 -18.715
310 HE2 LYS 40 HE2 LYS 40 26.610 1.759 -20.714
311 HE3 LYS 40 HE1 LYS 40 27.139 0.415 -19.702
312 HZ1 LYS 40 HZ1 LYS 40 24.697 0.510 -20.358
313 HZ2 LYS 40 HZ2 LYS 40 24.559 1.775 -19.231
314 HZ3 LYS 40 HZ3 LYS 40 25.053 0.230 -18.724
315 H LYS 41 HN LYS 41 32.258 3.609 -19.706
316 HA LYS 41 HA LYS 41 31.764 5.949 -21.315
317 HB2 LYS 41 HB2 LYS 41 33.632 3.596 -21.672
318 HB3 LYS 41 HB1 LYS 41 33.587 4.995 -22.745
319 HG2 LYS 41 HG2 LYS 41 34.090 6.479 -20.840
320 HG3 LYS 41 HG1 LYS 41 34.135 5.082 -19.763
321 HD2 LYS 41 HD2 LYS 41 35.998 4.128 -21.066
322 HD3 LYS 41 HD1 LYS 41 35.955 5.520 -22.149
323 HE2 LYS 41 HE2 LYS 41 36.462 7.017 -20.257
324 HE3 LYS 41 HE1 LYS 41 36.496 5.631 -19.167
325 HZ1 LYS 41 HZ1 LYS 41 38.340 4.722 -20.363
326 HZ2 LYS 41 HZ2 LYS 41 38.715 6.324 -19.942
327 HZ3 LYS 41 HZ3 LYS 41 38.258 5.947 -21.534
328 H LYS 42 HN LYS 42 30.881 6.061 -23.351
329 HA LYS 42 HA LYS 42 28.900 4.142 -24.036
330 HB2 LYS 42 HB2 LYS 42 28.762 6.557 -24.618
331 HB3 LYS 42 HB1 LYS 42 30.079 6.327 -25.770
332 HG2 LYS 42 HG2 LYS 42 28.736 4.692 -27.014
333 HG3 LYS 42 HG1 LYS 42 27.427 4.854 -25.842
334 HD2 LYS 42 HD2 LYS 42 27.211 7.247 -26.414
335 HD3 LYS 42 HD1 LYS 42 28.507 7.077 -27.600
336 HE2 LYS 42 HE2 LYS 42 27.171 5.419 -28.838
337 HE3 LYS 42 HE1 LYS 42 25.877 5.567 -27.647
338 HZ1 LYS 42 HZ1 LYS 42 26.763 8.078 -28.748
339 HZ2 LYS 42 HZ2 LYS 42 25.187 7.485 -28.522
340 HZ3 LYS 42 HZ3 LYS 42 26.079 7.034 -29.896
Start of MODEL 12
1 H1 MET 1 HT1 MET 1 52.423 -10.737 19.598
2 H2 MET 1 HT2 MET 1 53.508 -10.173 18.420
3 H3 MET 1 HT3 MET 1 53.298 -11.842 18.656
4 HA MET 1 HA MET 1 51.491 -9.909 17.362
5 HB2 MET 1 HB2 MET 1 52.576 -12.668 16.727
6 HB3 MET 1 HB1 MET 1 51.311 -11.898 15.774
7 HG2 MET 1 HG2 MET 1 54.057 -10.711 16.273
8 HG3 MET 1 HG1 MET 1 53.588 -11.561 14.804
9 HE1 MET 1 HE1 MET 1 50.410 -10.219 14.180
10 HE2 MET 1 HE2 MET 1 51.744 -11.127 13.476
11 HE3 MET 1 HE3 MET 1 51.365 -9.519 12.867
12 H ALA 2 HN ALA 2 51.284 -11.443 20.095
13 HA ALA 2 HA ALA 2 49.227 -13.348 19.884
14 HB1 ALA 2 HB1 ALA 2 49.513 -13.474 22.104
15 HB2 ALA 2 HB2 ALA 2 49.014 -11.796 22.320
16 HB3 ALA 2 HB3 ALA 2 50.699 -12.175 21.961
17 H GLU 3 HN GLU 3 49.092 -9.818 20.257
18 HA GLU 3 HA GLU 3 46.233 -9.752 20.517
19 HB2 GLU 3 HB2 GLU 3 48.240 -7.587 19.868
20 HB3 GLU 3 HB1 GLU 3 46.517 -7.302 20.121
21 HG2 GLU 3 HG2 GLU 3 46.683 -8.255 22.383
22 HG3 GLU 3 HG1 GLU 3 48.403 -8.556 22.134
23 H ALA 4 HN ALA 4 44.710 -9.613 18.988
24 HA ALA 4 HA ALA 4 45.331 -10.167 16.264
25 HB1 ALA 4 HB1 ALA 4 43.243 -10.949 17.112
26 HB2 ALA 4 HB2 ALA 4 42.853 -9.682 15.949
27 HB3 ALA 4 HB3 ALA 4 42.793 -9.342 17.680
28 H HIS 5 HN HIS 5 45.217 -8.827 14.442
29 HA HIS 5 HA HIS 5 44.940 -5.924 14.948
30 HB2 HIS 5 HB2 HIS 5 47.366 -6.760 14.744
31 HB3 HIS 5 HB1 HIS 5 46.988 -7.048 13.046
32 HD2 HIS 5 HD2 HIS 5 47.151 -3.953 15.522
33 HE1 HIS 5 HE1 HIS 5 47.364 -2.536 11.551
34 HE2 HIS 5 HE2 HIS 5 47.522 -1.868 13.996
35 H GLN 6 HN GLN 6 43.579 -4.941 13.582
36 HA GLN 6 HA GLN 6 43.121 -6.129 10.922
37 HB2 GLN 6 HB2 GLN 6 40.983 -5.265 12.883
38 HB3 GLN 6 HB1 GLN 6 40.685 -5.625 11.183
39 HG2 GLN 6 HG2 GLN 6 41.539 -7.908 11.496
40 HG3 GLN 6 HG1 GLN 6 41.890 -7.556 13.188
41 HE21 GLN 6 HE21 GLN 6 40.262 -9.572 13.237
42 HE22 GLN 6 HE22 GLN 6 38.625 -9.156 13.404
43 H ALA 7 HN ALA 7 42.427 -4.656 9.327
44 HA ALA 7 HA ALA 7 43.097 -1.852 9.951
45 HB1 ALA 7 HB1 ALA 7 44.266 -3.300 8.095
46 HB2 ALA 7 HB2 ALA 7 43.848 -1.620 7.761
47 HB3 ALA 7 HB3 ALA 7 42.817 -2.920 7.164
48 H VAL 8 HN VAL 8 41.593 -0.295 9.797
49 HA VAL 8 HA VAL 8 38.970 -1.000 8.611
50 HB VAL 8 HB VAL 8 37.975 0.577 10.233
51 HG11 VAL 8 HG11 VAL 8 38.177 -1.836 10.800
52 HG12 VAL 8 HG12 VAL 8 38.271 -0.809 12.231
53 HG13 VAL 8 HG13 VAL 8 39.740 -1.510 11.552
54 HG21 VAL 8 HG21 VAL 8 39.545 1.217 12.178
55 HG22 VAL 8 HG22 VAL 8 39.721 2.122 10.673
56 HG23 VAL 8 HG23 VAL 8 40.866 0.840 11.071
57 H ALA 9 HN ALA 9 38.283 0.261 6.975
58 HA ALA 9 HA ALA 9 39.933 2.533 6.183
59 HB1 ALA 9 HB1 ALA 9 38.670 0.592 4.736
60 HB2 ALA 9 HB2 ALA 9 39.207 2.138 4.080
61 HB3 ALA 9 HB3 ALA 9 37.532 1.933 4.591
62 H PHE 10 HN PHE 10 36.789 1.901 7.579
63 HA PHE 10 HA PHE 10 36.453 4.785 7.891
64 HB2 PHE 10 HB2 PHE 10 34.257 4.913 7.063
65 HB3 PHE 10 HB1 PHE 10 35.164 4.028 5.851
66 HD1 PHE 10 HD1 PHE 10 35.175 1.318 7.493
67 HD2 PHE 10 HD2 PHE 10 32.100 4.113 6.401
68 HE1 PHE 10 HE1 PHE 10 33.497 -0.479 7.628
69 HE2 PHE 10 HE2 PHE 10 30.420 2.298 6.531
70 HZ PHE 10 HZ PHE 10 31.118 0.002 7.145
71 H GLN 11 HN GLN 11 35.765 5.410 9.843
72 HA GLN 11 HA GLN 11 34.555 3.361 11.616
73 HB2 GLN 11 HB2 GLN 11 36.717 5.360 12.287
74 HB3 GLN 11 HB1 GLN 11 35.831 4.436 13.495
75 HG2 GLN 11 HG2 GLN 11 36.596 2.342 12.468
76 HG3 GLN 11 HG1 GLN 11 37.454 3.252 11.226
77 HE21 GLN 11 HE21 GLN 11 37.834 1.797 14.273
78 HE22 GLN 11 HE22 GLN 11 39.272 2.572 14.735
79 H PHE 12 HN PHE 12 32.722 3.949 12.625
80 HA PHE 12 HA PHE 12 32.023 6.822 12.649
81 HB2 PHE 12 HB2 PHE 12 30.601 5.893 11.052
82 HB3 PHE 12 HB1 PHE 12 30.463 4.367 11.906
83 HD1 PHE 12 HD1 PHE 12 30.049 7.698 13.552
84 HD2 PHE 12 HD2 PHE 12 28.086 4.250 11.899
85 HE1 PHE 12 HE1 PHE 12 27.918 8.398 14.607
86 HE2 PHE 12 HE2 PHE 12 25.955 4.967 12.935
87 HZ PHE 12 HZ PHE 12 25.867 7.036 14.285
88 H THR 13 HN THR 13 31.791 7.575 14.678
89 HA THR 13 HA THR 13 30.903 5.702 16.794
90 HB THR 13 HB THR 13 32.399 7.311 18.242
91 HG1 THR 13 HG1 THR 13 34.317 7.605 16.694
92 HG21 THR 13 HG21 THR 13 32.940 5.034 18.268
93 HG22 THR 13 HG22 THR 13 34.388 5.760 17.569
94 HG23 THR 13 HG23 THR 13 33.201 4.983 16.524
95 H VAL 14 HN VAL 14 29.260 6.329 18.028
96 HA VAL 14 HA VAL 14 28.215 9.046 17.654
97 HB VAL 14 HB VAL 14 26.993 6.608 18.972
98 HG11 VAL 14 HG11 VAL 14 25.779 8.261 19.993
99 HG12 VAL 14 HG12 VAL 14 24.929 8.280 18.449
100 HG13 VAL 14 HG13 VAL 14 26.195 9.463 18.774
101 HG21 VAL 14 HG21 VAL 14 27.302 6.541 16.462
102 HG22 VAL 14 HG22 VAL 14 26.274 7.968 16.365
103 HG23 VAL 14 HG23 VAL 14 25.621 6.456 16.991
104 H THR 15 HN THR 15 28.563 10.578 19.175
105 HA THR 15 HA THR 15 29.285 9.657 21.891
106 HB THR 15 HB THR 15 30.364 12.122 21.808
107 HG1 THR 15 HG1 THR 15 30.257 12.761 19.813
108 HG21 THR 15 HG21 THR 15 31.473 9.458 20.938
109 HG22 THR 15 HG22 THR 15 31.713 10.307 22.467
110 HG23 THR 15 HG23 THR 15 32.500 10.889 20.998
111 HA PRO 16 HA PRO 16 25.840 11.923 23.401
112 HB2 PRO 16 HB2 PRO 16 27.193 13.409 25.434
113 HB3 PRO 16 HB1 PRO 16 26.270 11.912 25.628
114 HG2 PRO 16 HG2 PRO 16 29.139 12.315 25.625
115 HG3 PRO 16 HG1 PRO 16 28.203 10.899 26.118
116 HD2 PRO 16 HD2 PRO 16 29.779 11.084 23.813
117 HD3 PRO 16 HD1 PRO 16 28.534 9.858 24.123
118 H ASP 17 HN ASP 17 28.834 13.599 22.585
119 HA ASP 17 HA ASP 17 27.541 16.189 22.465
120 HB2 ASP 17 HB2 ASP 17 30.299 15.227 21.690
121 HB3 ASP 17 HB1 ASP 17 29.756 16.892 21.496
122 H GLY 18 HN GLY 18 27.925 13.446 20.321
123 HA2 GLY 18 HA2 GLY 18 26.257 14.315 18.371
124 HA3 GLY 18 HA1 GLY 18 27.788 15.043 17.902
125 H ILE 19 HN ILE 19 28.340 13.864 16.125
126 HA ILE 19 HA ILE 19 28.781 10.987 16.509
127 HB ILE 19 HB ILE 19 28.171 10.738 14.077
128 HG12 ILE 19 HG12 ILE 19 26.915 13.468 14.440
129 HG13 ILE 19 HG11 ILE 19 28.431 13.205 13.581
130 HG21 ILE 19 HG21 ILE 19 26.607 10.246 16.023
131 HG22 ILE 19 HG22 ILE 19 25.813 10.579 14.483
132 HG23 ILE 19 HG23 ILE 19 25.884 11.825 15.730
133 HD11 ILE 19 HD11 ILE 19 27.396 12.008 11.849
134 HD12 ILE 19 HD12 ILE 19 26.220 13.273 12.203
135 HD13 ILE 19 HD13 ILE 19 25.971 11.643 12.820
136 H ASP 20 HN ASP 20 30.561 10.209 15.417
137 HA ASP 20 HA ASP 20 32.358 12.205 14.170
138 HB2 ASP 20 HB2 ASP 20 33.031 10.133 16.257
139 HB3 ASP 20 HB1 ASP 20 34.259 10.839 15.210
140 H LEU 21 HN LEU 21 33.456 11.530 12.347
141 HA LEU 21 HA LEU 21 33.225 8.701 11.626
142 HB2 LEU 21 HB2 LEU 21 32.433 11.028 9.858
143 HB3 LEU 21 HB1 LEU 21 32.597 9.361 9.309
144 HG LEU 21 HG LEU 21 30.941 8.966 11.411
145 HD11 LEU 21 HD11 LEU 21 31.008 11.560 11.685
146 HD12 LEU 21 HD12 LEU 21 29.445 10.744 11.767
147 HD13 LEU 21 HD13 LEU 21 29.931 11.571 10.287
148 HD21 LEU 21 HD21 LEU 21 30.416 8.140 9.231
149 HD22 LEU 21 HD22 LEU 21 30.293 9.769 8.568
150 HD23 LEU 21 HD23 LEU 21 29.064 9.178 9.685
151 H ARG 22 HN ARG 22 35.127 7.974 11.157
152 HA ARG 22 HA ARG 22 37.184 9.832 10.094
153 HB2 ARG 22 HB2 ARG 22 37.467 7.482 11.957
154 HB3 ARG 22 HB1 ARG 22 38.838 8.237 11.155
155 HG2 ARG 22 HG2 ARG 22 38.288 10.388 12.181
156 HG3 ARG 22 HG1 ARG 22 36.853 9.687 12.927
157 HD2 ARG 22 HD2 ARG 22 38.243 8.162 14.238
158 HD3 ARG 22 HD1 ARG 22 39.696 8.771 13.448
159 HE ARG 22 HE ARG 22 38.465 10.992 14.545
160 HH11 ARG 22 HH21 ARG 22 39.657 7.937 15.654
161 HH12 ARG 22 HH22 ARG 22 40.112 8.527 17.217
162 HH21 ARG 22 HH11 ARG 22 39.058 11.771 16.587
163 HH22 ARG 22 HH12 ARG 22 39.774 10.702 17.744
164 H LEU 23 HN LEU 23 38.303 9.302 8.283
165 HA LEU 23 HA LEU 23 37.970 6.583 7.234
166 HB2 LEU 23 HB2 LEU 23 37.406 9.128 5.696
167 HB3 LEU 23 HB1 LEU 23 37.514 7.517 4.987
168 HG LEU 23 HG LEU 23 35.724 7.073 7.003
169 HD11 LEU 23 HD11 LEU 23 34.209 8.898 7.197
170 HD12 LEU 23 HD12 LEU 23 34.981 9.776 5.878
171 HD13 LEU 23 HD13 LEU 23 35.813 9.602 7.422
172 HD21 LEU 23 HD21 LEU 23 35.456 6.352 4.700
173 HD22 LEU 23 HD22 LEU 23 35.224 8.017 4.167
174 HD23 LEU 23 HD23 LEU 23 34.008 7.238 5.180
175 H SER 24 HN SER 24 39.764 5.820 6.313
176 HA SER 24 HA SER 24 42.190 7.352 6.466
177 HB2 SER 24 HB2 SER 24 43.305 5.372 5.988
178 HB3 SER 24 HB1 SER 24 41.828 4.776 6.739
179 HG SER 24 HG SER 24 41.727 3.687 4.922
180 H HIS 25 HN HIS 25 43.605 7.823 4.730
181 HA HIS 25 HA HIS 25 42.434 9.082 2.503
182 HB2 HIS 25 HB2 HIS 25 45.264 8.092 2.935
183 HB3 HIS 25 HB1 HIS 25 44.767 9.110 1.584
184 HD2 HIS 25 HD2 HIS 25 42.714 10.703 4.118
185 HE1 HIS 25 HE1 HIS 25 46.519 12.346 4.907
186 HE2 HIS 25 HE2 HIS 25 44.027 12.617 5.302
187 H GLU 26 HN GLU 26 43.459 5.846 3.095
188 HA GLU 26 HA GLU 26 43.560 4.936 0.395
189 HB2 GLU 26 HB2 GLU 26 44.602 3.688 2.262
190 HB3 GLU 26 HB1 GLU 26 42.999 3.346 2.914
191 HG2 GLU 26 HG2 GLU 26 42.393 2.148 0.859
192 HG3 GLU 26 HG1 GLU 26 43.962 2.533 0.156
193 H ALA 27 HN ALA 27 41.021 5.112 2.849
194 HA ALA 27 HA ALA 27 39.013 3.685 1.478
195 HB1 ALA 27 HB1 ALA 27 37.870 5.852 2.974
196 HB2 ALA 27 HB2 ALA 27 39.221 5.174 3.881
197 HB3 ALA 27 HB3 ALA 27 37.891 4.136 3.367
198 H LEU 28 HN LEU 28 40.155 6.934 1.294
199 HA LEU 28 HA LEU 28 38.038 8.011 -0.300
200 HB2 LEU 28 HB2 LEU 28 40.876 8.957 0.159
201 HB3 LEU 28 HB1 LEU 28 39.629 9.904 -0.652
202 HG LEU 28 HG LEU 28 39.360 8.786 2.159
203 HD11 LEU 28 HD11 LEU 28 40.963 10.936 1.361
204 HD12 LEU 28 HD12 LEU 28 40.392 10.598 2.995
205 HD13 LEU 28 HD13 LEU 28 39.478 11.684 1.948
206 HD21 LEU 28 HD21 LEU 28 37.172 9.157 1.541
207 HD22 LEU 28 HD22 LEU 28 37.599 10.370 0.337
208 HD23 LEU 28 HD23 LEU 28 37.585 10.794 2.047
209 H ARG 29 HN ARG 29 41.172 6.580 -0.979
210 HA ARG 29 HA ARG 29 41.297 7.098 -3.738
211 HB2 ARG 29 HB2 ARG 29 43.193 6.278 -2.330
212 HB3 ARG 29 HB1 ARG 29 42.398 4.708 -2.238
213 HG2 ARG 29 HG2 ARG 29 42.493 4.527 -4.713
214 HG3 ARG 29 HG1 ARG 29 43.345 6.072 -4.776
215 HD2 ARG 29 HD2 ARG 29 45.110 5.105 -3.293
216 HD3 ARG 29 HD1 ARG 29 44.290 3.552 -3.388
217 HE ARG 29 HE ARG 29 45.041 3.324 -5.600
218 HH11 ARG 29 HH21 ARG 29 45.724 6.456 -4.290
219 HH12 ARG 29 HH22 ARG 29 46.828 6.892 -5.549
220 HH21 ARG 29 HH11 ARG 29 46.489 3.894 -7.254
221 HH22 ARG 29 HH12 ARG 29 47.254 5.448 -7.230
222 H GLN 30 HN GLN 30 39.838 4.406 -1.935
223 HA GLN 30 HA GLN 30 39.127 2.889 -4.248
224 HB2 GLN 30 HB2 GLN 30 38.920 2.628 -1.404
225 HB3 GLN 30 HB1 GLN 30 37.335 2.327 -2.115
226 HG2 GLN 30 HG2 GLN 30 38.596 0.238 -2.022
227 HG3 GLN 30 HG1 GLN 30 38.385 0.724 -3.703
228 HE21 GLN 30 HE21 GLN 30 40.325 -0.217 -4.551
229 HE22 GLN 30 HE22 GLN 30 41.874 0.286 -4.071
230 H ILE 31 HN ILE 31 37.436 5.213 -2.189
231 HA ILE 31 HA ILE 31 34.936 4.946 -3.436
232 HB ILE 31 HB ILE 31 36.153 7.182 -1.830
233 HG12 ILE 31 HG12 ILE 31 35.438 4.784 -0.953
234 HG13 ILE 31 HG11 ILE 31 35.047 6.228 -0.019
235 HG21 ILE 31 HG21 ILE 31 33.460 6.952 -3.162
236 HG22 ILE 31 HG22 ILE 31 34.550 8.337 -3.105
237 HG23 ILE 31 HG23 ILE 31 33.645 7.871 -1.666
238 HD11 ILE 31 HD11 ILE 31 33.146 4.512 -0.441
239 HD12 ILE 31 HD12 ILE 31 33.117 5.152 -2.081
240 HD13 ILE 31 HD13 ILE 31 32.792 6.215 -0.717
241 H TYR 32 HN TYR 32 37.575 7.307 -4.149
242 HA TYR 32 HA TYR 32 36.074 8.717 -6.091
243 HB2 TYR 32 HB2 TYR 32 38.104 9.680 -5.200
244 HB3 TYR 32 HB1 TYR 32 39.066 8.341 -5.829
245 HD1 TYR 32 HD2 TYR 32 36.792 11.115 -6.867
246 HD2 TYR 32 HD1 TYR 32 39.903 8.396 -8.046
247 HE1 TYR 32 HE2 TYR 32 37.006 12.301 -9.034
248 HE2 TYR 32 HE1 TYR 32 40.116 9.583 -10.217
249 HH TYR 32 HH TYR 32 38.885 12.602 -10.789
250 H LEU 33 HN LEU 33 38.364 5.998 -6.431
251 HA LEU 33 HA LEU 33 38.154 5.769 -9.235
252 HB2 LEU 33 HB2 LEU 33 38.758 3.688 -7.122
253 HB3 LEU 33 HB1 LEU 33 38.913 3.398 -8.851
254 HG LEU 33 HG LEU 33 40.373 5.575 -7.322
255 HD11 LEU 33 HD11 LEU 33 41.261 2.853 -8.309
256 HD12 LEU 33 HD12 LEU 33 41.234 3.425 -6.642
257 HD13 LEU 33 HD13 LEU 33 42.377 4.116 -7.793
258 HD21 LEU 33 HD21 LEU 33 40.487 6.405 -9.455
259 HD22 LEU 33 HD22 LEU 33 40.120 4.847 -10.193
260 HD23 LEU 33 HD23 LEU 33 41.754 5.191 -9.630
261 H SER 34 HN SER 34 36.283 4.196 -6.620
262 HA SER 34 HA SER 34 34.685 2.565 -8.280
263 HB2 SER 34 HB2 SER 34 33.904 3.821 -5.640
264 HB3 SER 34 HB1 SER 34 33.170 2.405 -6.386
265 HG SER 34 HG SER 34 34.653 1.332 -5.369
266 H GLY 35 HN GLY 35 34.420 5.898 -7.235
267 HA2 GLY 35 HA2 GLY 35 31.801 6.370 -8.274
268 HA3 GLY 35 HA1 GLY 35 32.961 7.599 -7.776
269 H LEU 36 HN LEU 36 35.083 6.807 -9.473
270 HA LEU 36 HA LEU 36 34.554 8.310 -11.761
271 HB2 LEU 36 HB2 LEU 36 36.826 7.897 -10.840
272 HB3 LEU 36 HB1 LEU 36 36.714 6.221 -11.369
273 HG LEU 36 HG LEU 36 36.463 6.984 -13.717
274 HD11 LEU 36 HD11 LEU 36 35.582 9.100 -13.826
275 HD12 LEU 36 HD12 LEU 36 37.287 9.550 -13.866
276 HD13 LEU 36 HD13 LEU 36 36.392 9.628 -12.350
277 HD21 LEU 36 HD21 LEU 36 38.699 6.709 -13.703
278 HD22 LEU 36 HD22 LEU 36 38.802 7.270 -12.035
279 HD23 LEU 36 HD23 LEU 36 38.861 8.432 -13.360
280 H HIS 37 HN HIS 37 34.478 4.834 -11.212
281 HA HIS 37 HA HIS 37 33.954 4.170 -13.964
282 HB2 HIS 37 HB2 HIS 37 34.143 2.710 -11.380
283 HB3 HIS 37 HB1 HIS 37 33.183 1.961 -12.656
284 HD2 HIS 37 HD2 HIS 37 36.835 2.168 -11.653
285 HE1 HIS 37 HE1 HIS 37 36.867 1.285 -15.781
286 HE2 HIS 37 HE2 HIS 37 38.292 1.411 -13.683
287 H SER 38 HN SER 38 32.093 4.832 -11.088
288 HA SER 38 HA SER 38 29.582 3.860 -11.950
289 HB2 SER 38 HB2 SER 38 30.172 6.160 -10.077
290 HB3 SER 38 HB1 SER 38 28.629 5.327 -10.231
291 HG SER 38 HG SER 38 31.011 4.512 -9.055
292 H TRP 39 HN TRP 39 31.117 7.099 -12.310
293 HA TRP 39 HA TRP 39 28.849 8.225 -13.617
294 HB2 TRP 39 HB2 TRP 39 30.580 9.620 -12.547
295 HB3 TRP 39 HB1 TRP 39 31.755 9.080 -13.745
296 HD1 TRP 39 HD1 TRP 39 28.208 10.637 -13.791
297 HE1 TRP 39 HE1 TRP 39 28.112 12.382 -15.684
298 HE3 TRP 39 HE3 TRP 39 32.942 10.167 -15.677
299 HZ2 TRP 39 HZ2 TRP 39 29.808 13.442 -17.721
300 HZ3 TRP 39 HZ3 TRP 39 33.668 11.564 -17.591
301 HH2 TRP 39 HH2 TRP 39 32.110 13.199 -18.613
302 H LYS 40 HN LYS 40 31.712 6.488 -14.662
303 HA LYS 40 HA LYS 40 32.292 5.510 -16.648
304 HB2 LYS 40 HB2 LYS 40 29.932 4.599 -16.400
305 HB3 LYS 40 HB1 LYS 40 29.418 5.879 -17.496
306 HG2 LYS 40 HG2 LYS 40 30.894 5.058 -19.245
307 HG3 LYS 40 HG1 LYS 40 31.583 3.860 -18.148
308 HD2 LYS 40 HD2 LYS 40 29.381 2.764 -17.946
309 HD3 LYS 40 HD1 LYS 40 28.680 3.961 -19.035
310 HE2 LYS 40 HE2 LYS 40 30.196 3.232 -20.834
311 HE3 LYS 40 HE1 LYS 40 30.931 2.052 -19.749
312 HZ1 LYS 40 HZ1 LYS 40 29.050 1.319 -21.329
313 HZ2 LYS 40 HZ2 LYS 40 28.019 2.037 -20.186
314 HZ3 LYS 40 HZ3 LYS 40 29.043 0.759 -19.728
315 H LYS 41 HN LYS 41 33.076 6.076 -18.618
316 HA LYS 41 HA LYS 41 32.991 8.887 -19.301
317 HB2 LYS 41 HB2 LYS 41 34.298 6.617 -20.816
318 HB3 LYS 41 HB1 LYS 41 34.679 8.331 -20.936
319 HG2 LYS 41 HG2 LYS 41 35.024 6.698 -18.403
320 HG3 LYS 41 HG1 LYS 41 36.320 7.004 -19.557
321 HD2 LYS 41 HD2 LYS 41 36.003 9.454 -19.214
322 HD3 LYS 41 HD1 LYS 41 34.784 9.100 -17.990
323 HE2 LYS 41 HE2 LYS 41 36.460 7.825 -16.695
324 HE3 LYS 41 HE1 LYS 41 37.685 8.250 -17.892
325 HZ1 LYS 41 HZ1 LYS 41 37.573 10.488 -17.329
326 HZ2 LYS 41 HZ2 LYS 41 37.483 9.706 -15.822
327 HZ3 LYS 41 HZ3 LYS 41 36.077 10.328 -16.547
328 H LYS 42 HN LYS 42 32.059 9.805 -21.091
329 HA LYS 42 HA LYS 42 30.627 10.040 -22.874
330 HB2 LYS 42 HB2 LYS 42 32.186 8.078 -23.681
331 HB3 LYS 42 HB1 LYS 42 30.749 7.094 -23.415
332 HG2 LYS 42 HG2 LYS 42 29.451 8.512 -24.922
333 HG3 LYS 42 HG1 LYS 42 30.831 9.591 -25.137
334 HD2 LYS 42 HD2 LYS 42 32.136 7.762 -26.124
335 HD3 LYS 42 HD1 LYS 42 30.786 6.654 -25.877
336 HE2 LYS 42 HE2 LYS 42 30.521 7.295 -28.117
337 HE3 LYS 42 HE1 LYS 42 29.422 8.383 -27.269
338 HZ1 LYS 42 HZ1 LYS 42 30.546 9.957 -28.370
339 HZ2 LYS 42 HZ2 LYS 42 31.888 8.959 -28.662
340 HZ3 LYS 42 HZ3 LYS 42 31.722 9.747 -27.168
Start of MODEL 13
1 H1 MET 1 HT1 MET 1 46.374 -4.775 -2.602
2 H2 MET 1 HT2 MET 1 47.877 -5.539 -2.821
3 H3 MET 1 HT3 MET 1 47.320 -5.181 -1.253
4 HA MET 1 HA MET 1 45.307 -6.672 -2.031
5 HB2 MET 1 HB2 MET 1 47.735 -7.677 -3.556
6 HB3 MET 1 HB1 MET 1 46.236 -8.582 -3.346
7 HG2 MET 1 HG2 MET 1 46.492 -5.894 -4.730
8 HG3 MET 1 HG1 MET 1 46.290 -7.442 -5.539
9 HE1 MET 1 HE1 MET 1 42.957 -8.625 -5.141
10 HE2 MET 1 HE2 MET 1 43.699 -8.881 -3.565
11 HE3 MET 1 HE3 MET 1 44.674 -9.031 -5.024
12 H ALA 2 HN ALA 2 47.251 -5.839 0.022
13 HA ALA 2 HA ALA 2 47.434 -8.395 1.437
14 HB1 ALA 2 HB1 ALA 2 49.744 -8.164 1.993
15 HB2 ALA 2 HB2 ALA 2 49.819 -6.544 1.297
16 HB3 ALA 2 HB3 ALA 2 49.639 -7.948 0.247
17 H GLU 3 HN GLU 3 47.521 -8.161 3.722
18 HA GLU 3 HA GLU 3 47.423 -5.460 4.834
19 HB2 GLU 3 HB2 GLU 3 45.081 -5.957 4.215
20 HB3 GLU 3 HB1 GLU 3 45.141 -7.416 5.207
21 HG2 GLU 3 HG2 GLU 3 45.576 -6.078 7.207
22 HG3 GLU 3 HG1 GLU 3 45.617 -4.606 6.239
23 H ALA 4 HN ALA 4 49.143 -5.769 6.160
24 HA ALA 4 HA ALA 4 49.607 -8.195 7.605
25 HB1 ALA 4 HB1 ALA 4 51.345 -6.493 6.845
26 HB2 ALA 4 HB2 ALA 4 51.518 -7.115 8.486
27 HB3 ALA 4 HB3 ALA 4 50.832 -5.511 8.218
28 H HIS 5 HN HIS 5 48.364 -4.984 8.535
29 HA HIS 5 HA HIS 5 47.551 -6.147 11.138
30 HB2 HIS 5 HB2 HIS 5 48.248 -3.278 10.473
31 HB3 HIS 5 HB1 HIS 5 47.703 -3.861 12.048
32 HD2 HIS 5 HD2 HIS 5 50.998 -3.344 10.241
33 HE1 HIS 5 HE1 HIS 5 51.794 -6.251 13.193
34 HE2 HIS 5 HE2 HIS 5 52.852 -4.659 11.523
35 H GLN 6 HN GLN 6 45.581 -5.261 12.094
36 HA GLN 6 HA GLN 6 43.426 -5.231 10.223
37 HB2 GLN 6 HB2 GLN 6 43.496 -4.623 13.189
38 HB3 GLN 6 HB1 GLN 6 42.022 -4.781 12.236
39 HG2 GLN 6 HG2 GLN 6 42.700 -7.085 11.604
40 HG3 GLN 6 HG1 GLN 6 44.136 -6.923 12.613
41 HE21 GLN 6 HE21 GLN 6 42.914 -8.930 13.632
42 HE22 GLN 6 HE22 GLN 6 41.839 -8.565 14.896
43 H ALA 7 HN ALA 7 42.352 -3.589 9.317
44 HA ALA 7 HA ALA 7 42.649 -0.870 10.369
45 HB1 ALA 7 HB1 ALA 7 43.214 -1.555 7.473
46 HB2 ALA 7 HB2 ALA 7 44.445 -1.151 8.670
47 HB3 ALA 7 HB3 ALA 7 43.244 0.052 8.197
48 H VAL 8 HN VAL 8 41.049 0.595 9.570
49 HA VAL 8 HA VAL 8 38.717 -0.713 8.300
50 HB VAL 8 HB VAL 8 38.808 1.154 10.669
51 HG11 VAL 8 HG11 VAL 8 36.990 2.093 9.623
52 HG12 VAL 8 HG12 VAL 8 36.178 0.696 10.337
53 HG13 VAL 8 HG13 VAL 8 36.679 0.660 8.645
54 HG21 VAL 8 HG21 VAL 8 37.652 -0.636 11.789
55 HG22 VAL 8 HG22 VAL 8 39.023 -1.360 10.948
56 HG23 VAL 8 HG23 VAL 8 37.403 -1.500 10.272
57 H ALA 9 HN ALA 9 37.832 0.353 6.627
58 HA ALA 9 HA ALA 9 39.162 2.634 5.523
59 HB1 ALA 9 HB1 ALA 9 37.700 2.406 3.693
60 HB2 ALA 9 HB2 ALA 9 36.424 1.703 4.684
61 HB3 ALA 9 HB3 ALA 9 37.860 0.755 4.294
62 H PHE 10 HN PHE 10 36.143 2.114 7.281
63 HA PHE 10 HA PHE 10 36.073 4.984 7.821
64 HB2 PHE 10 HB2 PHE 10 33.879 5.368 7.100
65 HB3 PHE 10 HB1 PHE 10 34.629 4.460 5.798
66 HD1 PHE 10 HD1 PHE 10 34.469 1.676 7.295
67 HD2 PHE 10 HD2 PHE 10 31.627 4.814 6.552
68 HE1 PHE 10 HE1 PHE 10 32.629 0.048 7.480
69 HE2 PHE 10 HE2 PHE 10 29.784 3.170 6.724
70 HZ PHE 10 HZ PHE 10 30.283 0.789 7.190
71 H GLN 11 HN GLN 11 35.360 5.562 9.804
72 HA GLN 11 HA GLN 11 34.095 3.464 11.473
73 HB2 GLN 11 HB2 GLN 11 36.470 3.616 12.071
74 HB3 GLN 11 HB1 GLN 11 36.288 5.341 12.363
75 HG2 GLN 11 HG2 GLN 11 34.719 4.932 14.168
76 HG3 GLN 11 HG1 GLN 11 34.700 3.205 13.808
77 HE21 GLN 11 HE21 GLN 11 35.499 4.343 16.380
78 HE22 GLN 11 HE22 GLN 11 37.135 3.944 16.609
79 H PHE 12 HN PHE 12 32.422 4.068 12.685
80 HA PHE 12 HA PHE 12 31.815 6.953 12.836
81 HB2 PHE 12 HB2 PHE 12 30.303 6.090 11.249
82 HB3 PHE 12 HB1 PHE 12 30.119 4.581 12.118
83 HD1 PHE 12 HD1 PHE 12 29.971 7.881 13.846
84 HD2 PHE 12 HD2 PHE 12 27.728 4.625 12.157
85 HE1 PHE 12 HE1 PHE 12 27.927 8.694 14.981
86 HE2 PHE 12 HE2 PHE 12 25.684 5.454 13.284
87 HZ PHE 12 HZ PHE 12 25.785 7.487 14.697
88 H THR 13 HN THR 13 31.740 7.601 14.929
89 HA THR 13 HA THR 13 30.761 5.655 16.952
90 HB THR 13 HB THR 13 32.758 7.654 17.823
91 HG1 THR 13 HG1 THR 13 33.591 5.240 16.631
92 HG21 THR 13 HG21 THR 13 33.371 5.873 19.332
93 HG22 THR 13 HG22 THR 13 32.450 4.698 18.394
94 HG23 THR 13 HG23 THR 13 31.609 5.959 19.297
95 H VAL 14 HN VAL 14 29.258 6.321 18.279
96 HA VAL 14 HA VAL 14 28.349 9.103 18.065
97 HB VAL 14 HB VAL 14 27.044 6.615 19.174
98 HG11 VAL 14 HG11 VAL 14 26.329 9.517 19.335
99 HG12 VAL 14 HG12 VAL 14 26.076 8.234 20.520
100 HG13 VAL 14 HG13 VAL 14 25.029 8.345 19.104
101 HG21 VAL 14 HG21 VAL 14 26.428 8.378 16.784
102 HG22 VAL 14 HG22 VAL 14 25.511 6.952 17.274
103 HG23 VAL 14 HG23 VAL 14 27.173 6.781 16.715
104 H THR 15 HN THR 15 28.702 10.555 19.659
105 HA THR 15 HA THR 15 29.409 9.496 22.326
106 HB THR 15 HB THR 15 30.741 11.712 22.461
107 HG1 THR 15 HG1 THR 15 29.725 11.802 19.991
108 HG21 THR 15 HG21 THR 15 32.691 10.638 21.421
109 HG22 THR 15 HG22 THR 15 31.629 9.515 20.565
110 HG23 THR 15 HG23 THR 15 31.750 9.447 22.323
111 HA PRO 16 HA PRO 16 26.034 11.832 24.011
112 HB2 PRO 16 HB2 PRO 16 27.937 13.175 25.862
113 HB3 PRO 16 HB1 PRO 16 26.462 12.264 26.229
114 HG2 PRO 16 HG2 PRO 16 28.944 11.290 26.640
115 HG3 PRO 16 HG1 PRO 16 27.543 10.273 26.270
116 HD2 PRO 16 HD2 PRO 16 29.865 10.937 24.561
117 HD3 PRO 16 HD1 PRO 16 28.725 9.576 24.457
118 H ASP 17 HN ASP 17 29.064 13.512 23.181
119 HA ASP 17 HA ASP 17 27.747 16.084 23.066
120 HB2 ASP 17 HB2 ASP 17 30.173 15.749 23.703
121 HB3 ASP 17 HB1 ASP 17 30.486 15.390 22.005
122 H GLY 18 HN GLY 18 28.109 13.409 20.840
123 HA2 GLY 18 HA2 GLY 18 26.496 14.421 18.897
124 HA3 GLY 18 HA1 GLY 18 28.067 15.099 18.482
125 H ILE 19 HN ILE 19 28.548 13.973 16.654
126 HA ILE 19 HA ILE 19 28.900 11.067 16.920
127 HB ILE 19 HB ILE 19 28.180 10.951 14.500
128 HG12 ILE 19 HG12 ILE 19 27.075 13.715 15.057
129 HG13 ILE 19 HG11 ILE 19 28.533 13.424 14.113
130 HG21 ILE 19 HG21 ILE 19 25.726 11.984 15.620
131 HG22 ILE 19 HG22 ILE 19 26.602 11.081 16.852
132 HG23 ILE 19 HG23 ILE 19 26.177 10.306 15.329
133 HD11 ILE 19 HD11 ILE 19 27.363 12.406 12.363
134 HD12 ILE 19 HD12 ILE 19 26.245 13.673 12.869
135 HD13 ILE 19 HD13 ILE 19 25.982 12.008 13.383
136 H ASP 20 HN ASP 20 30.587 10.259 15.678
137 HA ASP 20 HA ASP 20 32.445 12.251 14.506
138 HB2 ASP 20 HB2 ASP 20 33.177 11.494 16.786
139 HB3 ASP 20 HB1 ASP 20 33.295 9.856 16.140
140 H LEU 21 HN LEU 21 33.423 11.665 12.599
141 HA LEU 21 HA LEU 21 33.051 8.892 11.701
142 HB2 LEU 21 HB2 LEU 21 32.515 11.419 10.105
143 HB3 LEU 21 HB1 LEU 21 32.603 9.806 9.397
144 HG LEU 21 HG LEU 21 30.684 10.526 11.630
145 HD11 LEU 21 HD11 LEU 21 28.965 10.750 9.898
146 HD12 LEU 21 HD12 LEU 21 30.164 10.444 8.643
147 HD13 LEU 21 HD13 LEU 21 30.257 11.912 9.611
148 HD21 LEU 21 HD21 LEU 21 29.779 8.470 9.859
149 HD22 LEU 21 HD22 LEU 21 30.181 8.342 11.568
150 HD23 LEU 21 HD23 LEU 21 31.423 8.070 10.350
151 H ARG 22 HN ARG 22 34.936 8.073 11.220
152 HA ARG 22 HA ARG 22 37.110 9.866 10.283
153 HB2 ARG 22 HB2 ARG 22 37.532 8.973 12.547
154 HB3 ARG 22 HB1 ARG 22 37.416 7.337 11.908
155 HG2 ARG 22 HG2 ARG 22 39.319 7.767 10.408
156 HG3 ARG 22 HG1 ARG 22 39.422 9.424 11.002
157 HD2 ARG 22 HD2 ARG 22 39.765 8.486 13.317
158 HD3 ARG 22 HD1 ARG 22 39.859 6.881 12.594
159 HE ARG 22 HE ARG 22 41.702 8.531 11.263
160 HH11 ARG 22 HH21 ARG 22 41.099 7.197 14.401
161 HH12 ARG 22 HH22 ARG 22 42.770 7.134 14.847
162 HH21 ARG 22 HH11 ARG 22 43.905 8.449 11.853
163 HH22 ARG 22 HH12 ARG 22 44.353 7.837 13.411
164 H LEU 23 HN LEU 23 38.180 9.361 8.459
165 HA LEU 23 HA LEU 23 37.747 6.690 7.317
166 HB2 LEU 23 HB2 LEU 23 37.377 9.282 5.797
167 HB3 LEU 23 HB1 LEU 23 37.287 7.657 5.120
168 HG LEU 23 HG LEU 23 35.502 7.416 7.145
169 HD11 LEU 23 HD11 LEU 23 35.942 9.941 7.567
170 HD12 LEU 23 HD12 LEU 23 34.267 9.396 7.503
171 HD13 LEU 23 HD13 LEU 23 34.987 10.201 6.109
172 HD21 LEU 23 HD21 LEU 23 35.160 8.388 4.304
173 HD22 LEU 23 HD22 LEU 23 33.771 8.039 5.333
174 HD23 LEU 23 HD23 LEU 23 34.918 6.761 4.939
175 H SER 24 HN SER 24 39.505 5.884 6.361
176 HA SER 24 HA SER 24 42.016 7.268 6.593
177 HB2 SER 24 HB2 SER 24 42.992 5.219 5.755
178 HB3 SER 24 HB1 SER 24 41.733 4.804 6.915
179 HG SER 24 HG SER 24 41.891 3.865 4.561
180 H HIS 25 HN HIS 25 43.443 7.810 4.917
181 HA HIS 25 HA HIS 25 42.372 9.149 2.692
182 HB2 HIS 25 HB2 HIS 25 45.153 8.081 3.232
183 HB3 HIS 25 HB1 HIS 25 44.754 9.095 1.843
184 HD2 HIS 25 HD2 HIS 25 44.373 11.819 2.437
185 HE1 HIS 25 HE1 HIS 25 45.021 11.510 6.597
186 HE2 HIS 25 HE2 HIS 25 44.695 13.133 4.670
187 H GLU 26 HN GLU 26 43.331 5.888 3.234
188 HA GLU 26 HA GLU 26 43.508 5.012 0.532
189 HB2 GLU 26 HB2 GLU 26 42.970 3.514 3.106
190 HB3 GLU 26 HB1 GLU 26 43.208 2.728 1.544
191 HG2 GLU 26 HG2 GLU 26 45.430 3.709 1.342
192 HG3 GLU 26 HG1 GLU 26 45.196 4.622 2.831
193 H ALA 27 HN ALA 27 40.896 5.206 2.884
194 HA ALA 27 HA ALA 27 38.917 3.790 1.477
195 HB1 ALA 27 HB1 ALA 27 38.802 4.571 3.885
196 HB2 ALA 27 HB2 ALA 27 37.338 4.843 2.940
197 HB3 ALA 27 HB3 ALA 27 38.440 6.182 3.264
198 H LEU 28 HN LEU 28 40.057 7.075 1.296
199 HA LEU 28 HA LEU 28 38.003 8.108 -0.385
200 HB2 LEU 28 HB2 LEU 28 40.828 9.028 0.151
201 HB3 LEU 28 HB1 LEU 28 39.714 9.917 -0.881
202 HG LEU 28 HG LEU 28 39.098 9.144 1.987
203 HD11 LEU 28 HD11 LEU 28 40.675 11.360 0.859
204 HD12 LEU 28 HD12 LEU 28 40.624 10.739 2.508
205 HD13 LEU 28 HD13 LEU 28 39.394 11.873 1.956
206 HD21 LEU 28 HD21 LEU 28 37.659 11.422 1.220
207 HD22 LEU 28 HD22 LEU 28 37.016 9.790 1.385
208 HD23 LEU 28 HD23 LEU 28 37.571 10.365 -0.187
209 H ARG 29 HN ARG 29 41.151 6.657 -1.021
210 HA ARG 29 HA ARG 29 41.262 7.157 -3.778
211 HB2 ARG 29 HB2 ARG 29 43.191 6.373 -2.461
212 HB3 ARG 29 HB1 ARG 29 42.412 4.803 -2.263
213 HG2 ARG 29 HG2 ARG 29 42.419 4.477 -4.705
214 HG3 ARG 29 HG1 ARG 29 43.160 6.062 -4.921
215 HD2 ARG 29 HD2 ARG 29 45.081 5.287 -3.521
216 HD3 ARG 29 HD1 ARG 29 44.357 3.686 -3.476
217 HE ARG 29 HE ARG 29 45.660 4.946 -5.762
218 HH11 ARG 29 HH21 ARG 29 43.610 2.434 -4.540
219 HH12 ARG 29 HH22 ARG 29 43.882 1.372 -5.877
220 HH21 ARG 29 HH11 ARG 29 46.023 3.552 -7.516
221 HH22 ARG 29 HH12 ARG 29 45.250 2.003 -7.562
222 H GLN 30 HN GLN 30 39.810 4.425 -2.011
223 HA GLN 30 HA GLN 30 39.138 2.967 -4.364
224 HB2 GLN 30 HB2 GLN 30 38.030 2.888 -1.552
225 HB3 GLN 30 HB1 GLN 30 37.517 1.784 -2.831
226 HG2 GLN 30 HG2 GLN 30 39.876 1.068 -3.128
227 HG3 GLN 30 HG1 GLN 30 40.349 2.128 -1.800
228 HE21 GLN 30 HE21 GLN 30 41.062 -0.234 -1.018
229 HE22 GLN 30 HE22 GLN 30 39.905 -1.054 -0.081
230 H ILE 31 HN ILE 31 37.427 5.284 -2.338
231 HA ILE 31 HA ILE 31 34.939 5.077 -3.610
232 HB ILE 31 HB ILE 31 36.229 7.289 -2.025
233 HG12 ILE 31 HG12 ILE 31 35.422 4.924 -1.127
234 HG13 ILE 31 HG11 ILE 31 35.118 6.390 -0.198
235 HG21 ILE 31 HG21 ILE 31 33.776 8.097 -1.857
236 HG22 ILE 31 HG22 ILE 31 33.509 7.143 -3.316
237 HG23 ILE 31 HG23 ILE 31 34.667 8.474 -3.333
238 HD11 ILE 31 HD11 ILE 31 33.117 5.360 -2.217
239 HD12 ILE 31 HD12 ILE 31 32.851 6.492 -0.893
240 HD13 ILE 31 HD13 ILE 31 33.128 4.787 -0.551
241 H TYR 32 HN TYR 32 37.626 7.378 -4.288
242 HA TYR 32 HA TYR 32 36.206 8.849 -6.229
243 HB2 TYR 32 HB2 TYR 32 38.282 9.664 -5.248
244 HB3 TYR 32 HB1 TYR 32 39.175 8.331 -5.977
245 HD1 TYR 32 HD2 TYR 32 37.001 11.248 -6.814
246 HD2 TYR 32 HD1 TYR 32 40.021 8.512 -8.177
247 HE1 TYR 32 HE2 TYR 32 37.258 12.569 -8.895
248 HE2 TYR 32 HE1 TYR 32 40.275 9.835 -10.259
249 HH TYR 32 HH TYR 32 38.708 11.456 -11.610
250 H LEU 33 HN LEU 33 38.466 6.107 -6.619
251 HA LEU 33 HA LEU 33 38.206 5.970 -9.428
252 HB2 LEU 33 HB2 LEU 33 39.172 4.063 -7.318
253 HB3 LEU 33 HB1 LEU 33 38.958 3.491 -8.970
254 HG LEU 33 HG LEU 33 40.387 5.635 -9.592
255 HD11 LEU 33 HD11 LEU 33 40.300 6.382 -7.136
256 HD12 LEU 33 HD12 LEU 33 41.885 6.387 -7.909
257 HD13 LEU 33 HD13 LEU 33 41.440 5.074 -6.817
258 HD21 LEU 33 HD21 LEU 33 41.310 3.561 -10.142
259 HD22 LEU 33 HD22 LEU 33 41.312 3.003 -8.470
260 HD23 LEU 33 HD23 LEU 33 42.490 4.204 -9.002
261 H SER 34 HN SER 34 36.366 4.284 -6.854
262 HA SER 34 HA SER 34 34.908 2.599 -8.597
263 HB2 SER 34 HB2 SER 34 33.340 2.326 -6.776
264 HB3 SER 34 HB1 SER 34 34.966 2.373 -6.104
265 HG SER 34 HG SER 34 34.550 4.257 -5.209
266 H GLY 35 HN GLY 35 34.480 5.922 -7.589
267 HA2 GLY 35 HA2 GLY 35 31.880 6.296 -8.708
268 HA3 GLY 35 HA1 GLY 35 33.000 7.572 -8.230
269 H LEU 36 HN LEU 36 35.170 6.723 -9.828
270 HA LEU 36 HA LEU 36 34.682 8.111 -12.206
271 HB2 LEU 36 HB2 LEU 36 36.917 7.806 -11.175
272 HB3 LEU 36 HB1 LEU 36 36.870 6.106 -11.628
273 HG LEU 36 HG LEU 36 36.662 6.774 -14.024
274 HD11 LEU 36 HD11 LEU 36 35.826 8.883 -14.287
275 HD12 LEU 36 HD12 LEU 36 37.522 9.349 -14.191
276 HD13 LEU 36 HD13 LEU 36 36.500 9.453 -12.760
277 HD21 LEU 36 HD21 LEU 36 38.896 6.536 -13.980
278 HD22 LEU 36 HD22 LEU 36 38.940 7.054 -12.296
279 HD23 LEU 36 HD23 LEU 36 39.049 8.248 -13.588
280 H HIS 37 HN HIS 37 34.630 4.658 -11.471
281 HA HIS 37 HA HIS 37 34.271 3.854 -14.213
282 HB2 HIS 37 HB2 HIS 37 34.278 2.502 -11.550
283 HB3 HIS 37 HB1 HIS 37 33.480 1.683 -12.892
284 HD2 HIS 37 HD2 HIS 37 37.095 2.615 -11.735
285 HE1 HIS 37 HE1 HIS 37 37.426 0.576 -15.417
286 HE2 HIS 37 HE2 HIS 37 38.729 1.516 -13.449
287 H SER 38 HN SER 38 32.276 4.836 -11.565
288 HA SER 38 HA SER 38 29.782 3.753 -12.404
289 HB2 SER 38 HB2 SER 38 30.125 6.353 -10.908
290 HB3 SER 38 HB1 SER 38 28.794 5.203 -10.807
291 HG SER 38 HG SER 38 31.478 4.614 -10.102
292 H TRP 39 HN TRP 39 31.802 6.002 -13.881
293 HA TRP 39 HA TRP 39 29.922 7.876 -14.878
294 HB2 TRP 39 HB2 TRP 39 32.238 8.452 -14.932
295 HB3 TRP 39 HB1 TRP 39 32.650 6.985 -15.817
296 HD1 TRP 39 HD1 TRP 39 31.027 10.414 -16.275
297 HE1 TRP 39 HE1 TRP 39 30.909 10.941 -18.798
298 HE3 TRP 39 HE3 TRP 39 32.546 5.930 -18.183
299 HZ2 TRP 39 HZ2 TRP 39 31.394 9.632 -21.292
300 HZ3 TRP 39 HZ3 TRP 39 32.710 5.597 -20.634
301 HH2 TRP 39 HH2 TRP 39 32.138 7.441 -22.189
302 H LYS 40 HN LYS 40 31.089 4.760 -15.984
303 HA LYS 40 HA LYS 40 29.825 4.872 -18.556
304 HB2 LYS 40 HB2 LYS 40 31.791 3.451 -18.107
305 HB3 LYS 40 HB1 LYS 40 30.840 2.507 -16.958
306 HG2 LYS 40 HG2 LYS 40 29.302 1.837 -18.750
307 HG3 LYS 40 HG1 LYS 40 30.193 2.830 -19.905
308 HD2 LYS 40 HD2 LYS 40 32.214 1.464 -19.512
309 HD3 LYS 40 HD1 LYS 40 31.311 0.464 -18.371
310 HE2 LYS 40 HE2 LYS 40 29.755 -0.200 -20.142
311 HE3 LYS 40 HE1 LYS 40 30.597 0.837 -21.293
312 HZ1 LYS 40 HZ1 LYS 40 32.069 -1.237 -19.806
313 HZ2 LYS 40 HZ2 LYS 40 32.440 -0.522 -21.303
314 HZ3 LYS 40 HZ3 LYS 40 31.178 -1.654 -21.189
315 H LYS 41 HN LYS 41 27.784 4.349 -19.091
316 HA LYS 41 HA LYS 41 25.856 3.883 -17.021
317 HB2 LYS 41 HB2 LYS 41 25.410 5.228 -19.082
318 HB3 LYS 41 HB1 LYS 41 25.468 3.732 -20.017
319 HG2 LYS 41 HG2 LYS 41 23.603 2.813 -18.720
320 HG3 LYS 41 HG1 LYS 41 23.574 4.256 -17.706
321 HD2 LYS 41 HD2 LYS 41 23.053 5.644 -19.673
322 HD3 LYS 41 HD1 LYS 41 23.090 4.212 -20.702
323 HE2 LYS 41 HE2 LYS 41 20.775 4.725 -20.142
324 HE3 LYS 41 HE1 LYS 41 21.244 3.234 -19.319
325 HZ1 LYS 41 HZ1 LYS 41 21.075 5.956 -18.154
326 HZ2 LYS 41 HZ2 LYS 41 21.771 4.632 -17.350
327 HZ3 LYS 41 HZ3 LYS 41 20.123 4.610 -17.761
328 H LYS 42 HN LYS 42 24.793 2.044 -16.472
329 HA LYS 42 HA LYS 42 24.384 -0.196 -16.213
330 HB2 LYS 42 HB2 LYS 42 23.530 0.046 -18.545
331 HB3 LYS 42 HB1 LYS 42 25.128 -0.398 -19.140
332 HG2 LYS 42 HG2 LYS 42 24.987 -2.555 -17.967
333 HG3 LYS 42 HG1 LYS 42 23.404 -2.111 -17.325
334 HD2 LYS 42 HD2 LYS 42 22.525 -1.931 -19.627
335 HD3 LYS 42 HD1 LYS 42 24.102 -2.404 -20.261
336 HE2 LYS 42 HE2 LYS 42 23.939 -4.554 -19.046
337 HE3 LYS 42 HE1 LYS 42 22.348 -4.082 -18.441
338 HZ1 LYS 42 HZ1 LYS 42 22.877 -4.028 -21.333
339 HZ2 LYS 42 HZ2 LYS 42 21.407 -4.253 -20.509
340 HZ3 LYS 42 HZ3 LYS 42 22.546 -5.511 -20.577
Start of MODEL 14
1 H1 MET 1 HT1 MET 1 36.797 -6.852 21.201
2 H2 MET 1 HT2 MET 1 36.472 -8.378 20.526
3 H3 MET 1 HT3 MET 1 36.548 -7.005 19.530
4 HA MET 1 HA MET 1 38.926 -6.741 20.187
5 HB2 MET 1 HB2 MET 1 38.701 -8.155 22.247
6 HB3 MET 1 HB1 MET 1 38.503 -9.567 21.212
7 HG2 MET 1 HG2 MET 1 40.723 -9.123 20.195
8 HG3 MET 1 HG1 MET 1 40.917 -7.729 21.253
9 HE1 MET 1 HE1 MET 1 40.144 -11.260 20.837
10 HE2 MET 1 HE2 MET 1 39.496 -11.557 22.448
11 HE3 MET 1 HE3 MET 1 41.105 -12.139 22.033
12 H ALA 2 HN ALA 2 36.781 -9.141 18.859
13 HA ALA 2 HA ALA 2 38.607 -10.384 17.072
14 HB1 ALA 2 HB1 ALA 2 36.453 -11.401 17.696
15 HB2 ALA 2 HB2 ALA 2 36.620 -11.252 15.947
16 HB3 ALA 2 HB3 ALA 2 35.603 -10.117 16.836
17 H GLU 3 HN GLU 3 36.399 -7.624 16.704
18 HA GLU 3 HA GLU 3 36.741 -7.279 13.935
19 HB2 GLU 3 HB2 GLU 3 36.098 -5.295 16.117
20 HB3 GLU 3 HB1 GLU 3 36.091 -4.890 14.402
21 HG2 GLU 3 HG2 GLU 3 34.397 -6.577 13.961
22 HG3 GLU 3 HG1 GLU 3 34.455 -7.116 15.640
23 H ALA 4 HN ALA 4 38.829 -6.579 16.596
24 HA ALA 4 HA ALA 4 40.371 -4.509 15.502
25 HB1 ALA 4 HB1 ALA 4 41.542 -4.739 17.398
26 HB2 ALA 4 HB2 ALA 4 41.974 -6.404 17.009
27 HB3 ALA 4 HB3 ALA 4 40.446 -6.055 17.819
28 H HIS 5 HN HIS 5 40.491 -8.012 14.987
29 HA HIS 5 HA HIS 5 42.959 -7.993 13.560
30 HB2 HIS 5 HB2 HIS 5 40.694 -9.999 13.604
31 HB3 HIS 5 HB1 HIS 5 42.231 -10.252 12.775
32 HD2 HIS 5 HD2 HIS 5 44.519 -10.436 14.546
33 HE1 HIS 5 HE1 HIS 5 42.206 -10.940 18.041
34 HE2 HIS 5 HE2 HIS 5 44.547 -11.086 17.071
35 H GLN 6 HN GLN 6 39.577 -7.662 12.622
36 HA GLN 6 HA GLN 6 39.977 -7.847 9.806
37 HB2 GLN 6 HB2 GLN 6 37.778 -6.465 11.364
38 HB3 GLN 6 HB1 GLN 6 37.723 -6.869 9.649
39 HG2 GLN 6 HG2 GLN 6 38.054 -8.886 11.887
40 HG3 GLN 6 HG1 GLN 6 36.538 -8.542 11.058
41 HE21 GLN 6 HE21 GLN 6 38.834 -10.844 11.102
42 HE22 GLN 6 HE22 GLN 6 38.861 -11.296 9.466
43 H ALA 7 HN ALA 7 40.327 -6.265 8.272
44 HA ALA 7 HA ALA 7 41.730 -3.915 9.064
45 HB1 ALA 7 HB1 ALA 7 41.012 -3.429 6.467
46 HB2 ALA 7 HB2 ALA 7 40.894 -5.187 6.539
47 HB3 ALA 7 HB3 ALA 7 42.412 -4.389 6.948
48 H VAL 8 HN VAL 8 41.060 -1.810 9.242
49 HA VAL 8 HA VAL 8 38.173 -1.281 8.823
50 HB VAL 8 HB VAL 8 39.954 -0.395 11.098
51 HG11 VAL 8 HG11 VAL 8 37.436 0.469 11.710
52 HG12 VAL 8 HG12 VAL 8 37.467 0.735 9.967
53 HG13 VAL 8 HG13 VAL 8 38.684 1.491 10.997
54 HG21 VAL 8 HG21 VAL 8 37.310 -1.640 11.546
55 HG22 VAL 8 HG22 VAL 8 38.843 -1.926 12.370
56 HG23 VAL 8 HG23 VAL 8 38.516 -2.700 10.819
57 H ALA 9 HN ALA 9 37.757 0.361 7.500
58 HA ALA 9 HA ALA 9 39.893 2.354 7.020
59 HB1 ALA 9 HB1 ALA 9 39.792 1.760 4.866
60 HB2 ALA 9 HB2 ALA 9 38.126 2.339 4.827
61 HB3 ALA 9 HB3 ALA 9 38.464 0.647 5.196
62 H PHE 10 HN PHE 10 36.632 1.770 7.911
63 HA PHE 10 HA PHE 10 36.175 4.655 8.037
64 HB2 PHE 10 HB2 PHE 10 33.671 3.867 7.496
65 HB3 PHE 10 HB1 PHE 10 34.795 4.405 6.272
66 HD1 PHE 10 HD1 PHE 10 35.114 1.060 7.936
67 HD2 PHE 10 HD2 PHE 10 33.781 3.238 4.474
68 HE1 PHE 10 HE1 PHE 10 34.885 -1.058 6.691
69 HE2 PHE 10 HE2 PHE 10 33.538 1.107 3.237
70 HZ PHE 10 HZ PHE 10 34.088 -1.040 4.341
71 H GLN 11 HN GLN 11 35.456 5.358 9.954
72 HA GLN 11 HA GLN 11 34.131 3.394 11.738
73 HB2 GLN 11 HB2 GLN 11 36.451 5.199 12.386
74 HB3 GLN 11 HB1 GLN 11 35.440 4.462 13.627
75 HG2 GLN 11 HG2 GLN 11 35.969 2.232 12.779
76 HG3 GLN 11 HG1 GLN 11 36.904 2.934 11.460
77 HE21 GLN 11 HE21 GLN 11 37.233 1.592 14.526
78 HE22 GLN 11 HE22 GLN 11 38.731 2.270 14.945
79 H PHE 12 HN PHE 12 32.390 4.060 12.767
80 HA PHE 12 HA PHE 12 31.819 6.959 12.834
81 HB2 PHE 12 HB2 PHE 12 30.355 6.137 11.202
82 HB3 PHE 12 HB1 PHE 12 30.140 4.601 12.023
83 HD1 PHE 12 HD1 PHE 12 29.914 7.891 13.766
84 HD2 PHE 12 HD2 PHE 12 27.745 4.620 12.010
85 HE1 PHE 12 HE1 PHE 12 27.830 8.682 14.842
86 HE2 PHE 12 HE2 PHE 12 25.661 5.427 13.076
87 HZ PHE 12 HZ PHE 12 25.704 7.464 14.496
88 H THR 13 HN THR 13 31.684 7.622 14.923
89 HA THR 13 HA THR 13 30.619 5.699 16.918
90 HB THR 13 HB THR 13 32.648 7.649 17.826
91 HG1 THR 13 HG1 THR 13 33.753 6.870 16.104
92 HG21 THR 13 HG21 THR 13 33.090 5.980 19.442
93 HG22 THR 13 HG22 THR 13 32.380 4.713 18.444
94 HG23 THR 13 HG23 THR 13 31.343 5.916 19.212
95 H VAL 14 HN VAL 14 29.116 6.362 18.224
96 HA VAL 14 HA VAL 14 28.242 9.154 18.058
97 HB VAL 14 HB VAL 14 26.874 6.708 19.201
98 HG11 VAL 14 HG11 VAL 14 26.092 9.607 18.957
99 HG12 VAL 14 HG12 VAL 14 25.972 8.551 20.364
100 HG13 VAL 14 HG13 VAL 14 24.865 8.341 19.006
101 HG21 VAL 14 HG21 VAL 14 25.981 8.231 16.770
102 HG22 VAL 14 HG22 VAL 14 25.686 6.548 17.203
103 HG23 VAL 14 HG23 VAL 14 27.272 7.041 16.623
104 H THR 15 HN THR 15 28.643 10.567 19.717
105 HA THR 15 HA THR 15 29.209 9.399 22.377
106 HB THR 15 HB THR 15 30.647 11.660 22.494
107 HG1 THR 15 HG1 THR 15 31.725 11.316 20.202
108 HG21 THR 15 HG21 THR 15 31.424 8.949 21.412
109 HG22 THR 15 HG22 THR 15 31.666 9.587 23.040
110 HG23 THR 15 HG23 THR 15 32.619 10.214 21.697
111 HA PRO 16 HA PRO 16 26.034 11.982 24.062
112 HB2 PRO 16 HB2 PRO 16 28.085 13.221 25.848
113 HB3 PRO 16 HB1 PRO 16 26.528 12.479 26.263
114 HG2 PRO 16 HG2 PRO 16 28.891 11.252 26.673
115 HG3 PRO 16 HG1 PRO 16 27.388 10.383 26.332
116 HD2 PRO 16 HD2 PRO 16 29.756 10.740 24.602
117 HD3 PRO 16 HD1 PRO 16 28.458 9.531 24.518
118 H ASP 17 HN ASP 17 29.197 13.523 23.410
119 HA ASP 17 HA ASP 17 28.179 16.164 23.164
120 HB2 ASP 17 HB2 ASP 17 30.383 16.651 22.176
121 HB3 ASP 17 HB1 ASP 17 30.521 15.748 23.681
122 H GLY 18 HN GLY 18 28.300 13.434 20.945
123 HA2 GLY 18 HA2 GLY 18 26.596 14.412 19.092
124 HA3 GLY 18 HA1 GLY 18 28.126 15.124 18.593
125 H ILE 19 HN ILE 19 28.666 13.993 16.780
126 HA ILE 19 HA ILE 19 29.009 11.095 17.074
127 HB ILE 19 HB ILE 19 28.339 10.931 14.655
128 HG12 ILE 19 HG12 ILE 19 27.236 13.700 15.166
129 HG13 ILE 19 HG11 ILE 19 28.641 13.347 14.157
130 HG21 ILE 19 HG21 ILE 19 26.109 12.012 16.388
131 HG22 ILE 19 HG22 ILE 19 26.812 10.415 16.636
132 HG23 ILE 19 HG23 ILE 19 25.993 10.790 15.121
133 HD11 ILE 19 HD11 ILE 19 25.878 13.258 13.427
134 HD12 ILE 19 HD12 ILE 19 26.526 11.621 13.331
135 HD13 ILE 19 HD13 ILE 19 27.283 12.924 12.416
136 H ASP 20 HN ASP 20 30.677 10.263 15.850
137 HA ASP 20 HA ASP 20 32.587 12.223 14.707
138 HB2 ASP 20 HB2 ASP 20 33.159 9.829 16.466
139 HB3 ASP 20 HB1 ASP 20 34.401 10.687 15.552
140 H LEU 21 HN LEU 21 33.525 11.661 12.736
141 HA LEU 21 HA LEU 21 33.001 8.940 11.738
142 HB2 LEU 21 HB2 LEU 21 32.488 11.557 10.281
143 HB3 LEU 21 HB1 LEU 21 32.541 9.990 9.481
144 HG LEU 21 HG LEU 21 30.679 10.537 11.804
145 HD11 LEU 21 HD11 LEU 21 30.115 10.839 8.836
146 HD12 LEU 21 HD12 LEU 21 30.219 12.166 9.992
147 HD13 LEU 21 HD13 LEU 21 28.922 10.978 10.129
148 HD21 LEU 21 HD21 LEU 21 29.976 8.420 11.440
149 HD22 LEU 21 HD22 LEU 21 31.346 8.212 10.352
150 HD23 LEU 21 HD23 LEU 21 29.788 8.724 9.715
151 H ARG 22 HN ARG 22 34.870 8.072 11.195
152 HA ARG 22 HA ARG 22 37.052 9.848 10.240
153 HB2 ARG 22 HB2 ARG 22 37.222 7.313 11.870
154 HB3 ARG 22 HB1 ARG 22 38.612 8.104 11.136
155 HG2 ARG 22 HG2 ARG 22 38.072 10.175 12.391
156 HG3 ARG 22 HG1 ARG 22 36.723 9.336 13.157
157 HD2 ARG 22 HD2 ARG 22 38.260 7.696 14.126
158 HD3 ARG 22 HD1 ARG 22 39.623 8.479 13.329
159 HE ARG 22 HE ARG 22 38.108 10.266 15.018
160 HH11 ARG 22 HH21 ARG 22 40.603 7.868 14.845
161 HH12 ARG 22 HH22 ARG 22 41.434 8.433 16.256
162 HH21 ARG 22 HH11 ARG 22 39.192 11.011 16.863
163 HH22 ARG 22 HH12 ARG 22 40.634 10.217 17.398
164 H LEU 23 HN LEU 23 38.030 9.391 8.351
165 HA LEU 23 HA LEU 23 37.450 6.779 7.109
166 HB2 LEU 23 HB2 LEU 23 37.276 9.497 5.764
167 HB3 LEU 23 HB1 LEU 23 37.149 7.944 4.943
168 HG LEU 23 HG LEU 23 35.285 8.862 7.163
169 HD11 LEU 23 HD11 LEU 23 33.998 8.566 4.619
170 HD12 LEU 23 HD12 LEU 23 35.374 9.651 4.423
171 HD13 LEU 23 HD13 LEU 23 34.127 10.014 5.616
172 HD21 LEU 23 HD21 LEU 23 35.100 6.546 7.147
173 HD22 LEU 23 HD22 LEU 23 35.518 6.418 5.441
174 HD23 LEU 23 HD23 LEU 23 33.913 6.968 5.918
175 H SER 24 HN SER 24 39.222 5.910 6.226
176 HA SER 24 HA SER 24 41.772 7.205 6.515
177 HB2 SER 24 HB2 SER 24 42.594 5.096 5.350
178 HB3 SER 24 HB1 SER 24 41.738 4.850 6.869
179 HG SER 24 HG SER 24 40.341 3.736 5.786
180 H HIS 25 HN HIS 25 43.218 7.777 4.883
181 HA HIS 25 HA HIS 25 42.181 9.147 2.668
182 HB2 HIS 25 HB2 HIS 25 44.973 8.050 3.122
183 HB3 HIS 25 HB1 HIS 25 44.538 9.196 1.853
184 HD2 HIS 25 HD2 HIS 25 45.522 9.248 5.569
185 HE1 HIS 25 HE1 HIS 25 43.958 13.070 4.698
186 HE2 HIS 25 HE2 HIS 25 45.208 11.695 6.425
187 H GLU 26 HN GLU 26 43.081 5.877 3.184
188 HA GLU 26 HA GLU 26 43.271 5.018 0.475
189 HB2 GLU 26 HB2 GLU 26 42.678 3.525 3.039
190 HB3 GLU 26 HB1 GLU 26 42.877 2.729 1.476
191 HG2 GLU 26 HG2 GLU 26 45.141 3.617 1.270
192 HG3 GLU 26 HG1 GLU 26 44.948 4.530 2.766
193 H ALA 27 HN ALA 27 40.644 5.248 2.821
194 HA ALA 27 HA ALA 27 38.654 3.893 1.366
195 HB1 ALA 27 HB1 ALA 27 38.769 5.067 3.828
196 HB2 ALA 27 HB2 ALA 27 37.283 4.516 3.056
197 HB3 ALA 27 HB3 ALA 27 37.756 6.212 2.948
198 H LEU 28 HN LEU 28 39.930 7.098 1.207
199 HA LEU 28 HA LEU 28 37.898 8.229 -0.471
200 HB2 LEU 28 HB2 LEU 28 40.719 9.081 0.159
201 HB3 LEU 28 HB1 LEU 28 39.629 10.023 -0.852
202 HG LEU 28 HG LEU 28 38.937 9.116 1.957
203 HD11 LEU 28 HD11 LEU 28 40.702 11.231 1.073
204 HD12 LEU 28 HD12 LEU 28 40.317 10.717 2.715
205 HD13 LEU 28 HD13 LEU 28 39.298 11.903 1.899
206 HD21 LEU 28 HD21 LEU 28 37.601 10.785 -0.143
207 HD22 LEU 28 HD22 LEU 28 37.423 11.292 1.534
208 HD23 LEU 28 HD23 LEU 28 36.892 9.687 1.040
209 H ARG 29 HN ARG 29 41.034 6.714 -1.050
210 HA ARG 29 HA ARG 29 41.197 7.256 -3.809
211 HB2 ARG 29 HB2 ARG 29 43.115 6.479 -2.453
212 HB3 ARG 29 HB1 ARG 29 42.346 4.903 -2.279
213 HG2 ARG 29 HG2 ARG 29 42.408 4.603 -4.731
214 HG3 ARG 29 HG1 ARG 29 43.184 6.179 -4.900
215 HD2 ARG 29 HD2 ARG 29 44.333 3.897 -3.271
216 HD3 ARG 29 HD1 ARG 29 44.792 4.242 -4.935
217 HE ARG 29 HE ARG 29 45.542 5.762 -2.575
218 HH11 ARG 29 HH21 ARG 29 45.152 5.683 -6.009
219 HH12 ARG 29 HH22 ARG 29 46.340 6.910 -6.311
220 HH21 ARG 29 HH11 ARG 29 47.100 7.360 -2.955
221 HH22 ARG 29 HH12 ARG 29 47.437 7.870 -4.577
222 H GLN 30 HN GLN 30 39.678 4.548 -2.063
223 HA GLN 30 HA GLN 30 39.030 3.072 -4.416
224 HB2 GLN 30 HB2 GLN 30 37.889 3.038 -1.620
225 HB3 GLN 30 HB1 GLN 30 37.392 1.912 -2.886
226 HG2 GLN 30 HG2 GLN 30 39.734 1.164 -3.134
227 HG3 GLN 30 HG1 GLN 30 40.225 2.281 -1.862
228 HE21 GLN 30 HE21 GLN 30 40.925 -0.072 -1.019
229 HE22 GLN 30 HE22 GLN 30 39.780 -0.834 -0.025
230 H ILE 31 HN ILE 31 37.259 5.416 -2.423
231 HA ILE 31 HA ILE 31 34.800 5.212 -3.760
232 HB ILE 31 HB ILE 31 36.045 7.454 -2.179
233 HG12 ILE 31 HG12 ILE 31 33.687 5.685 -1.512
234 HG13 ILE 31 HG11 ILE 31 35.339 5.201 -1.134
235 HG21 ILE 31 HG21 ILE 31 33.509 8.156 -2.101
236 HG22 ILE 31 HG22 ILE 31 33.414 7.272 -3.624
237 HG23 ILE 31 HG23 ILE 31 34.506 8.649 -3.470
238 HD11 ILE 31 HD11 ILE 31 33.662 6.839 0.421
239 HD12 ILE 31 HD12 ILE 31 34.849 7.937 -0.277
240 HD13 ILE 31 HD13 ILE 31 35.380 6.548 0.673
241 H TYR 32 HN TYR 32 37.520 7.502 -4.400
242 HA TYR 32 HA TYR 32 36.137 8.933 -6.403
243 HB2 TYR 32 HB2 TYR 32 38.157 9.826 -5.439
244 HB3 TYR 32 HB1 TYR 32 39.097 8.450 -6.013
245 HD1 TYR 32 HD2 TYR 32 37.030 11.338 -7.152
246 HD2 TYR 32 HD1 TYR 32 40.005 8.424 -8.206
247 HE1 TYR 32 HE2 TYR 32 37.422 12.513 -9.299
248 HE2 TYR 32 HE1 TYR 32 40.403 9.601 -10.357
249 HH TYR 32 HH TYR 32 39.636 11.198 -11.739
250 H LEU 33 HN LEU 33 38.363 6.165 -6.640
251 HA LEU 33 HA LEU 33 38.247 5.921 -9.450
252 HB2 LEU 33 HB2 LEU 33 38.781 3.863 -7.304
253 HB3 LEU 33 HB1 LEU 33 39.019 3.573 -9.025
254 HG LEU 33 HG LEU 33 40.366 5.785 -7.443
255 HD11 LEU 33 HD11 LEU 33 41.122 3.544 -6.754
256 HD12 LEU 33 HD12 LEU 33 42.392 4.387 -7.644
257 HD13 LEU 33 HD13 LEU 33 41.443 3.133 -8.438
258 HD21 LEU 33 HD21 LEU 33 40.531 6.583 -9.593
259 HD22 LEU 33 HD22 LEU 33 40.312 4.989 -10.319
260 HD23 LEU 33 HD23 LEU 33 41.878 5.448 -9.653
261 H SER 34 HN SER 34 36.293 4.403 -6.882
262 HA SER 34 HA SER 34 34.801 2.660 -8.484
263 HB2 SER 34 HB2 SER 34 34.613 2.407 -6.131
264 HB3 SER 34 HB1 SER 34 34.177 4.100 -5.910
265 HG SER 34 HG SER 34 32.225 3.687 -6.954
266 H GLY 35 HN GLY 35 34.319 6.061 -7.700
267 HA2 GLY 35 HA2 GLY 35 31.801 6.278 -9.038
268 HA3 GLY 35 HA1 GLY 35 32.821 7.620 -8.524
269 H LEU 36 HN LEU 36 35.163 6.743 -9.918
270 HA LEU 36 HA LEU 36 34.824 8.053 -12.354
271 HB2 LEU 36 HB2 LEU 36 37.006 7.806 -11.230
272 HB3 LEU 36 HB1 LEU 36 36.990 6.081 -11.586
273 HG LEU 36 HG LEU 36 36.904 6.610 -14.024
274 HD11 LEU 36 HD11 LEU 36 35.943 8.719 -14.266
275 HD12 LEU 36 HD12 LEU 36 37.652 9.094 -14.474
276 HD13 LEU 36 HD13 LEU 36 36.863 9.406 -12.927
277 HD21 LEU 36 HD21 LEU 36 39.069 6.226 -12.884
278 HD22 LEU 36 HD22 LEU 36 39.184 7.954 -12.545
279 HD23 LEU 36 HD23 LEU 36 39.225 7.377 -14.210
280 H HIS 37 HN HIS 37 34.785 4.591 -11.581
281 HA HIS 37 HA HIS 37 34.514 3.769 -14.328
282 HB2 HIS 37 HB2 HIS 37 34.059 2.295 -11.720
283 HB3 HIS 37 HB1 HIS 37 33.978 1.544 -13.314
284 HD2 HIS 37 HD2 HIS 37 36.612 2.320 -10.671
285 HE1 HIS 37 HE1 HIS 37 38.754 1.732 -14.262
286 HE2 HIS 37 HE2 HIS 37 38.968 1.992 -11.745
287 H SER 38 HN SER 38 32.428 4.664 -11.715
288 HA SER 38 HA SER 38 29.968 3.601 -12.650
289 HB2 SER 38 HB2 SER 38 30.313 6.127 -11.035
290 HB3 SER 38 HB1 SER 38 28.936 5.031 -11.038
291 HG SER 38 HG SER 38 31.542 4.182 -10.339
292 H TRP 39 HN TRP 39 31.966 5.912 -14.048
293 HA TRP 39 HA TRP 39 30.058 7.807 -14.963
294 HB2 TRP 39 HB2 TRP 39 32.351 8.440 -14.987
295 HB3 TRP 39 HB1 TRP 39 32.807 7.014 -15.918
296 HD1 TRP 39 HD1 TRP 39 32.707 7.169 -18.474
297 HE1 TRP 39 HE1 TRP 39 31.973 8.981 -20.158
298 HE3 TRP 39 HE3 TRP 39 30.534 10.512 -15.280
299 HZ2 TRP 39 HZ2 TRP 39 30.642 11.514 -20.150
300 HZ3 TRP 39 HZ3 TRP 39 29.545 12.611 -16.140
301 HH2 TRP 39 HH2 TRP 39 29.593 13.119 -18.568
302 H LYS 40 HN LYS 40 31.265 4.754 -16.207
303 HA LYS 40 HA LYS 40 30.125 4.970 -18.800
304 HB2 LYS 40 HB2 LYS 40 31.961 3.422 -18.288
305 HB3 LYS 40 HB1 LYS 40 30.901 2.510 -17.210
306 HG2 LYS 40 HG2 LYS 40 29.422 1.957 -19.082
307 HG3 LYS 40 HG1 LYS 40 30.397 2.941 -20.170
308 HD2 LYS 40 HD2 LYS 40 32.331 1.454 -19.780
309 HD3 LYS 40 HD1 LYS 40 31.346 0.464 -18.697
310 HE2 LYS 40 HE2 LYS 40 29.777 -0.001 -20.546
311 HE3 LYS 40 HE1 LYS 40 30.756 0.986 -21.627
312 HZ1 LYS 40 HZ1 LYS 40 31.420 -1.609 -20.390
313 HZ2 LYS 40 HZ2 LYS 40 32.640 -0.575 -20.963
314 HZ3 LYS 40 HZ3 LYS 40 31.458 -1.170 -22.026
315 H LYS 41 HN LYS 41 28.115 4.566 -19.526
316 HA LYS 41 HA LYS 41 26.044 3.942 -17.568
317 HB2 LYS 41 HB2 LYS 41 25.940 4.818 -20.462
318 HB3 LYS 41 HB1 LYS 41 24.502 4.382 -19.539
319 HG2 LYS 41 HG2 LYS 41 25.053 6.107 -17.861
320 HG3 LYS 41 HG1 LYS 41 26.489 6.546 -18.785
321 HD2 LYS 41 HD2 LYS 41 25.050 7.143 -20.716
322 HD3 LYS 41 HD1 LYS 41 23.622 6.741 -19.764
323 HE2 LYS 41 HE2 LYS 41 25.657 8.888 -19.088
324 HE3 LYS 41 HE1 LYS 41 24.029 9.167 -19.710
325 HZ1 LYS 41 HZ1 LYS 41 23.824 7.478 -17.499
326 HZ2 LYS 41 HZ2 LYS 41 23.274 9.079 -17.647
327 HZ3 LYS 41 HZ3 LYS 41 24.831 8.764 -17.050
328 H LYS 42 HN LYS 42 24.670 2.168 -17.667
329 HA LYS 42 HA LYS 42 25.602 -0.053 -19.392
330 HB2 LYS 42 HB2 LYS 42 24.894 -1.573 -17.598
331 HB3 LYS 42 HB1 LYS 42 26.090 -0.420 -17.012
332 HG2 LYS 42 HG2 LYS 42 24.303 0.976 -16.065
333 HG3 LYS 42 HG1 LYS 42 23.088 -0.155 -16.658
334 HD2 LYS 42 HD2 LYS 42 24.055 -1.943 -15.270
335 HD3 LYS 42 HD1 LYS 42 25.281 -0.822 -14.676
336 HE2 LYS 42 HE2 LYS 42 23.607 -0.791 -13.000
337 HE3 LYS 42 HE1 LYS 42 23.302 0.665 -13.949
338 HZ1 LYS 42 HZ1 LYS 42 21.968 -1.919 -14.501
339 HZ2 LYS 42 HZ2 LYS 42 21.556 -0.382 -15.100
340 HZ3 LYS 42 HZ3 LYS 42 21.310 -0.754 -13.460
Start of MODEL 15
1 H1 MET 1 HT1 MET 1 45.062 -1.964 15.171
2 H2 MET 1 HT2 MET 1 43.485 -1.711 15.747
3 H3 MET 1 HT3 MET 1 44.271 -3.190 16.035
4 HA MET 1 HA MET 1 44.159 -1.151 17.784
5 HB2 MET 1 HB2 MET 1 46.237 -3.328 17.432
6 HB3 MET 1 HB1 MET 1 46.073 -2.362 18.898
7 HG2 MET 1 HG2 MET 1 43.713 -3.111 19.103
8 HG3 MET 1 HG1 MET 1 43.928 -4.127 17.678
9 HE1 MET 1 HE1 MET 1 45.305 -5.979 17.391
10 HE2 MET 1 HE2 MET 1 46.107 -6.959 18.616
11 HE3 MET 1 HE3 MET 1 46.883 -5.493 18.028
12 H ALA 2 HN ALA 2 47.089 -1.950 15.892
13 HA ALA 2 HA ALA 2 48.536 0.345 16.726
14 HB1 ALA 2 HB1 ALA 2 49.111 -1.968 15.307
15 HB2 ALA 2 HB2 ALA 2 50.226 -0.635 15.610
16 HB3 ALA 2 HB3 ALA 2 49.303 -0.689 14.108
17 H GLU 3 HN GLU 3 48.803 2.332 15.804
18 HA GLU 3 HA GLU 3 46.697 3.358 14.186
19 HB2 GLU 3 HB2 GLU 3 49.363 4.523 15.008
20 HB3 GLU 3 HB1 GLU 3 48.137 5.422 14.115
21 HG2 GLU 3 HG2 GLU 3 46.523 5.072 15.919
22 HG3 GLU 3 HG1 GLU 3 47.692 4.093 16.803
23 H ALA 4 HN ALA 4 49.993 2.306 13.530
24 HA ALA 4 HA ALA 4 50.221 3.305 10.905
25 HB1 ALA 4 HB1 ALA 4 51.498 0.741 11.836
26 HB2 ALA 4 HB2 ALA 4 52.044 2.311 12.425
27 HB3 ALA 4 HB3 ALA 4 52.129 1.937 10.704
28 H HIS 5 HN HIS 5 48.862 0.305 12.183
29 HA HIS 5 HA HIS 5 48.027 -0.435 9.443
30 HB2 HIS 5 HB2 HIS 5 48.677 -2.073 11.880
31 HB3 HIS 5 HB1 HIS 5 47.654 -2.728 10.599
32 HD2 HIS 5 HD2 HIS 5 49.048 -3.552 8.314
33 HE1 HIS 5 HE1 HIS 5 52.834 -2.049 9.426
34 HE2 HIS 5 HE2 HIS 5 51.586 -3.439 7.706
35 H GLN 6 HN GLN 6 45.930 -0.366 8.966
36 HA GLN 6 HA GLN 6 43.975 -0.260 11.191
37 HB2 GLN 6 HB2 GLN 6 43.898 1.185 8.529
38 HB3 GLN 6 HB1 GLN 6 42.591 1.180 9.711
39 HG2 GLN 6 HG2 GLN 6 45.405 2.161 10.268
40 HG3 GLN 6 HG1 GLN 6 44.040 3.206 9.882
41 HE21 GLN 6 HE21 GLN 6 45.768 2.267 12.488
42 HE22 GLN 6 HE22 GLN 6 44.552 2.257 13.673
43 H ALA 7 HN ALA 7 42.618 -1.910 11.224
44 HA ALA 7 HA ALA 7 42.442 -3.756 9.010
45 HB1 ALA 7 HB1 ALA 7 40.935 -5.019 10.491
46 HB2 ALA 7 HB2 ALA 7 40.937 -3.676 11.635
47 HB3 ALA 7 HB3 ALA 7 42.424 -4.572 11.326
48 H VAL 8 HN VAL 8 40.901 -0.885 9.815
49 HA VAL 8 HA VAL 8 38.635 -1.526 8.027
50 HB VAL 8 HB VAL 8 37.207 -0.068 9.415
51 HG11 VAL 8 HG11 VAL 8 38.110 -1.830 11.544
52 HG12 VAL 8 HG12 VAL 8 38.085 -2.669 9.992
53 HG13 VAL 8 HG13 VAL 8 36.621 -1.895 10.601
54 HG21 VAL 8 HG21 VAL 8 38.612 1.444 10.507
55 HG22 VAL 8 HG22 VAL 8 39.780 0.203 10.947
56 HG23 VAL 8 HG23 VAL 8 38.248 0.313 11.809
57 H ALA 9 HN ALA 9 37.707 0.377 6.967
58 HA ALA 9 HA ALA 9 39.770 2.438 6.475
59 HB1 ALA 9 HB1 ALA 9 38.492 0.741 4.681
60 HB2 ALA 9 HB2 ALA 9 39.405 2.194 4.275
61 HB3 ALA 9 HB3 ALA 9 37.657 2.282 4.484
62 H PHE 10 HN PHE 10 36.507 1.879 7.514
63 HA PHE 10 HA PHE 10 36.146 4.788 7.777
64 HB2 PHE 10 HB2 PHE 10 34.818 4.271 5.889
65 HB3 PHE 10 HB1 PHE 10 34.236 2.776 6.606
66 HD1 PHE 10 HD1 PHE 10 34.405 6.009 8.490
67 HD2 PHE 10 HD2 PHE 10 31.906 3.247 6.341
68 HE1 PHE 10 HE1 PHE 10 32.397 7.137 9.375
69 HE2 PHE 10 HE2 PHE 10 29.896 4.396 7.218
70 HZ PHE 10 HZ PHE 10 30.141 6.339 8.734
71 H GLN 11 HN GLN 11 35.535 5.379 9.796
72 HA GLN 11 HA GLN 11 34.243 3.344 11.519
73 HB2 GLN 11 HB2 GLN 11 36.481 5.215 12.324
74 HB3 GLN 11 HB1 GLN 11 35.583 4.177 13.429
75 HG2 GLN 11 HG2 GLN 11 37.148 3.182 11.032
76 HG3 GLN 11 HG1 GLN 11 37.748 3.167 12.690
77 HE21 GLN 11 HE21 GLN 11 36.319 1.177 10.438
78 HE22 GLN 11 HE22 GLN 11 35.525 0.102 11.484
79 H PHE 12 HN PHE 12 32.509 3.992 12.633
80 HA PHE 12 HA PHE 12 31.961 6.894 12.752
81 HB2 PHE 12 HB2 PHE 12 30.478 6.119 11.124
82 HB3 PHE 12 HB1 PHE 12 30.238 4.577 11.926
83 HD1 PHE 12 HD1 PHE 12 30.077 7.859 13.693
84 HD2 PHE 12 HD2 PHE 12 27.853 4.630 11.941
85 HE1 PHE 12 HE1 PHE 12 28.023 8.664 14.808
86 HE2 PHE 12 HE2 PHE 12 25.792 5.458 13.039
87 HZ PHE 12 HZ PHE 12 25.879 7.476 14.474
88 H THR 13 HN THR 13 31.764 7.577 14.818
89 HA THR 13 HA THR 13 30.753 5.661 16.846
90 HB THR 13 HB THR 13 32.671 7.739 17.710
91 HG1 THR 13 HG1 THR 13 33.692 6.881 15.885
92 HG21 THR 13 HG21 THR 13 31.468 6.017 19.162
93 HG22 THR 13 HG22 THR 13 33.217 6.116 19.356
94 HG23 THR 13 HG23 THR 13 32.509 4.809 18.407
95 H VAL 14 HN VAL 14 29.194 6.332 18.115
96 HA VAL 14 HA VAL 14 28.273 9.106 17.857
97 HB VAL 14 HB VAL 14 26.623 7.331 17.438
98 HG11 VAL 14 HG11 VAL 14 26.633 6.550 20.318
99 HG12 VAL 14 HG12 VAL 14 27.898 5.874 19.294
100 HG13 VAL 14 HG13 VAL 14 26.203 5.597 18.899
101 HG21 VAL 14 HG21 VAL 14 24.900 8.340 18.650
102 HG22 VAL 14 HG22 VAL 14 26.158 9.572 18.753
103 HG23 VAL 14 HG23 VAL 14 25.877 8.482 20.110
104 H THR 15 HN THR 15 28.642 10.563 19.459
105 HA THR 15 HA THR 15 29.234 9.488 22.149
106 HB THR 15 HB THR 15 30.535 11.844 22.196
107 HG1 THR 15 HG1 THR 15 31.671 11.486 19.960
108 HG21 THR 15 HG21 THR 15 31.600 9.810 22.849
109 HG22 THR 15 HG22 THR 15 32.589 10.474 21.549
110 HG23 THR 15 HG23 THR 15 31.478 9.144 21.219
111 HA PRO 16 HA PRO 16 25.970 11.972 23.788
112 HB2 PRO 16 HB2 PRO 16 27.932 13.372 25.537
113 HB3 PRO 16 HB1 PRO 16 26.449 12.506 25.977
114 HG2 PRO 16 HG2 PRO 16 28.924 11.509 26.383
115 HG3 PRO 16 HG1 PRO 16 27.499 10.500 26.094
116 HD2 PRO 16 HD2 PRO 16 29.793 11.033 24.310
117 HD3 PRO 16 HD1 PRO 16 28.622 9.696 24.292
118 H ASP 17 HN ASP 17 29.050 13.653 23.069
119 HA ASP 17 HA ASP 17 27.808 16.215 22.766
120 HB2 ASP 17 HB2 ASP 17 30.535 15.148 22.043
121 HB3 ASP 17 HB1 ASP 17 30.046 16.816 21.752
122 H GLY 18 HN GLY 18 28.121 13.454 20.618
123 HA2 GLY 18 HA2 GLY 18 26.494 14.384 18.665
124 HA3 GLY 18 HA1 GLY 18 28.042 15.094 18.223
125 H ILE 19 HN ILE 19 28.606 13.932 16.437
126 HA ILE 19 HA ILE 19 28.989 11.044 16.798
127 HB ILE 19 HB ILE 19 28.400 10.880 14.330
128 HG12 ILE 19 HG12 ILE 19 27.093 13.554 14.879
129 HG13 ILE 19 HG11 ILE 19 28.573 13.351 13.941
130 HG21 ILE 19 HG21 ILE 19 26.028 10.670 14.772
131 HG22 ILE 19 HG22 ILE 19 26.142 11.776 16.142
132 HG23 ILE 19 HG23 ILE 19 26.892 10.181 16.230
133 HD11 ILE 19 HD11 ILE 19 26.774 13.428 12.357
134 HD12 ILE 19 HD12 ILE 19 25.819 12.277 13.292
135 HD13 ILE 19 HD13 ILE 19 27.277 11.741 12.459
136 H ASP 20 HN ASP 20 30.731 10.224 15.724
137 HA ASP 20 HA ASP 20 32.623 12.170 14.533
138 HB2 ASP 20 HB2 ASP 20 33.191 9.874 16.421
139 HB3 ASP 20 HB1 ASP 20 34.441 10.716 15.507
140 H LEU 21 HN LEU 21 33.610 11.533 12.623
141 HA LEU 21 HA LEU 21 33.208 8.752 11.766
142 HB2 LEU 21 HB2 LEU 21 32.621 11.210 10.092
143 HB3 LEU 21 HB1 LEU 21 32.591 9.545 9.510
144 HG LEU 21 HG LEU 21 30.941 9.301 11.639
145 HD11 LEU 21 HD11 LEU 21 31.253 11.851 11.969
146 HD12 LEU 21 HD12 LEU 21 29.604 11.226 11.980
147 HD13 LEU 21 HD13 LEU 21 30.235 12.022 10.540
148 HD21 LEU 21 HD21 LEU 21 30.303 10.230 8.827
149 HD22 LEU 21 HD22 LEU 21 29.077 9.656 9.956
150 HD23 LEU 21 HD23 LEU 21 30.358 8.570 9.419
151 H ARG 22 HN ARG 22 35.088 7.940 11.248
152 HA ARG 22 HA ARG 22 37.227 9.748 10.257
153 HB2 ARG 22 HB2 ARG 22 37.672 8.848 12.521
154 HB3 ARG 22 HB1 ARG 22 37.572 7.217 11.870
155 HG2 ARG 22 HG2 ARG 22 39.454 7.695 10.350
156 HG3 ARG 22 HG1 ARG 22 39.550 9.338 10.987
157 HD2 ARG 22 HD2 ARG 22 39.938 8.358 13.268
158 HD3 ARG 22 HD1 ARG 22 40.018 6.766 12.519
159 HE ARG 22 HE ARG 22 41.822 8.493 11.199
160 HH11 ARG 22 HH21 ARG 22 41.293 6.908 14.224
161 HH12 ARG 22 HH22 ARG 22 42.977 6.777 14.609
162 HH21 ARG 22 HH11 ARG 22 44.030 8.332 11.688
163 HH22 ARG 22 HH12 ARG 22 44.531 7.589 13.171
164 H LEU 23 HN LEU 23 38.331 9.210 8.453
165 HA LEU 23 HA LEU 23 37.891 6.556 7.337
166 HB2 LEU 23 HB2 LEU 23 37.566 7.718 5.088
167 HB3 LEU 23 HB1 LEU 23 36.211 7.767 6.215
168 HG LEU 23 HG LEU 23 38.161 9.988 6.449
169 HD11 LEU 23 HD11 LEU 23 36.273 9.699 4.087
170 HD12 LEU 23 HD12 LEU 23 38.033 9.793 4.016
171 HD13 LEU 23 HD13 LEU 23 37.097 11.195 4.536
172 HD21 LEU 23 HD21 LEU 23 36.230 11.195 7.082
173 HD22 LEU 23 HD22 LEU 23 35.912 9.572 7.691
174 HD23 LEU 23 HD23 LEU 23 35.155 10.114 6.194
175 H SER 24 HN SER 24 39.641 5.754 6.372
176 HA SER 24 HA SER 24 42.152 7.141 6.600
177 HB2 SER 24 HB2 SER 24 43.130 5.106 5.715
178 HB3 SER 24 HB1 SER 24 41.908 4.680 6.911
179 HG SER 24 HG SER 24 41.900 4.405 4.130
180 H HIS 25 HN HIS 25 43.590 7.648 4.895
181 HA HIS 25 HA HIS 25 42.512 9.040 2.721
182 HB2 HIS 25 HB2 HIS 25 45.233 8.034 3.431
183 HB3 HIS 25 HB1 HIS 25 44.948 8.509 1.756
184 HD2 HIS 25 HD2 HIS 25 44.756 11.253 1.324
185 HE1 HIS 25 HE1 HIS 25 44.961 12.442 5.369
186 HE2 HIS 25 HE2 HIS 25 44.905 13.273 2.970
187 H GLU 26 HN GLU 26 43.351 5.705 3.142
188 HA GLU 26 HA GLU 26 43.373 4.922 0.399
189 HB2 GLU 26 HB2 GLU 26 42.882 3.334 2.929
190 HB3 GLU 26 HB1 GLU 26 43.060 2.610 1.332
191 HG2 GLU 26 HG2 GLU 26 45.136 4.382 2.654
192 HG3 GLU 26 HG1 GLU 26 45.189 2.621 2.657
193 H ALA 27 HN ALA 27 40.857 5.221 2.843
194 HA ALA 27 HA ALA 27 38.768 3.894 1.484
195 HB1 ALA 27 HB1 ALA 27 37.442 4.559 3.222
196 HB2 ALA 27 HB2 ALA 27 38.031 6.221 3.160
197 HB3 ALA 27 HB3 ALA 27 38.986 4.984 3.969
198 H LEU 28 HN LEU 28 40.081 7.115 1.329
199 HA LEU 28 HA LEU 28 37.955 8.280 -0.215
200 HB2 LEU 28 HB2 LEU 28 40.828 9.209 0.121
201 HB3 LEU 28 HB1 LEU 28 39.572 10.121 -0.710
202 HG LEU 28 HG LEU 28 39.382 9.200 2.172
203 HD11 LEU 28 HD11 LEU 28 41.179 10.897 1.776
204 HD12 LEU 28 HD12 LEU 28 39.873 11.489 2.802
205 HD13 LEU 28 HD13 LEU 28 39.955 11.979 1.110
206 HD21 LEU 28 HD21 LEU 28 37.177 9.589 1.666
207 HD22 LEU 28 HD22 LEU 28 37.557 10.625 0.293
208 HD23 LEU 28 HD23 LEU 28 37.648 11.266 1.932
209 H ARG 29 HN ARG 29 41.048 6.785 -0.970
210 HA ARG 29 HA ARG 29 41.092 7.306 -3.730
211 HB2 ARG 29 HB2 ARG 29 42.305 5.056 -2.114
212 HB3 ARG 29 HB1 ARG 29 42.635 5.318 -3.827
213 HG2 ARG 29 HG2 ARG 29 43.485 7.575 -3.333
214 HG3 ARG 29 HG1 ARG 29 43.126 7.336 -1.621
215 HD2 ARG 29 HD2 ARG 29 45.490 6.884 -2.012
216 HD3 ARG 29 HD1 ARG 29 44.666 5.386 -1.595
217 HE ARG 29 HE ARG 29 44.702 5.701 -4.416
218 HH11 ARG 29 HH21 ARG 29 46.715 5.032 -1.687
219 HH12 ARG 29 HH22 ARG 29 47.862 4.092 -2.582
220 HH21 ARG 29 HH11 ARG 29 46.213 4.458 -5.606
221 HH22 ARG 29 HH12 ARG 29 47.580 3.770 -4.796
222 H GLN 30 HN GLN 30 39.576 4.633 -1.925
223 HA GLN 30 HA GLN 30 38.894 3.146 -4.278
224 HB2 GLN 30 HB2 GLN 30 37.813 3.071 -1.454
225 HB3 GLN 30 HB1 GLN 30 37.318 1.953 -2.726
226 HG2 GLN 30 HG2 GLN 30 39.640 1.213 -3.008
227 HG3 GLN 30 HG1 GLN 30 40.164 2.352 -1.769
228 HE21 GLN 30 HE21 GLN 30 40.888 -0.041 -0.971
229 HE22 GLN 30 HE22 GLN 30 39.789 -0.768 0.100
230 H ILE 31 HN ILE 31 37.225 5.466 -2.205
231 HA ILE 31 HA ILE 31 34.711 5.282 -3.443
232 HB ILE 31 HB ILE 31 36.008 7.520 -1.885
233 HG12 ILE 31 HG12 ILE 31 33.767 5.633 -1.116
234 HG13 ILE 31 HG11 ILE 31 35.461 5.270 -0.789
235 HG21 ILE 31 HG21 ILE 31 33.259 7.237 -3.093
236 HG22 ILE 31 HG22 ILE 31 34.347 8.622 -3.153
237 HG23 ILE 31 HG23 ILE 31 33.523 8.214 -1.649
238 HD11 ILE 31 HD11 ILE 31 35.658 7.377 0.501
239 HD12 ILE 31 HD12 ILE 31 34.404 6.330 1.170
240 HD13 ILE 31 HD13 ILE 31 33.956 7.722 0.183
241 H TYR 32 HN TYR 32 37.400 7.603 -4.128
242 HA TYR 32 HA TYR 32 35.956 9.058 -6.078
243 HB2 TYR 32 HB2 TYR 32 38.021 9.931 -5.134
244 HB3 TYR 32 HB1 TYR 32 38.934 8.584 -5.813
245 HD1 TYR 32 HD1 TYR 32 36.778 11.490 -6.747
246 HD2 TYR 32 HD2 TYR 32 39.743 8.660 -8.035
247 HE1 TYR 32 HE1 TYR 32 37.046 12.737 -8.875
248 HE2 TYR 32 HE2 TYR 32 40.009 9.906 -10.162
249 HH TYR 32 HH TYR 32 38.379 11.540 -11.552
250 H LEU 33 HN LEU 33 38.220 6.330 -6.405
251 HA LEU 33 HA LEU 33 38.054 6.126 -9.210
252 HB2 LEU 33 HB2 LEU 33 38.727 4.092 -7.084
253 HB3 LEU 33 HB1 LEU 33 38.871 3.766 -8.810
254 HG LEU 33 HG LEU 33 40.241 6.070 -7.385
255 HD11 LEU 33 HD11 LEU 33 41.550 4.404 -6.557
256 HD12 LEU 33 HD12 LEU 33 42.233 4.382 -8.184
257 HD13 LEU 33 HD13 LEU 33 40.974 3.229 -7.739
258 HD21 LEU 33 HD21 LEU 33 40.438 6.784 -9.537
259 HD22 LEU 33 HD22 LEU 33 39.981 5.217 -10.201
260 HD23 LEU 33 HD23 LEU 33 41.643 5.508 -9.690
261 H SER 34 HN SER 34 36.154 4.517 -6.643
262 HA SER 34 HA SER 34 34.700 2.777 -8.293
263 HB2 SER 34 HB2 SER 34 33.860 4.156 -5.735
264 HB3 SER 34 HB1 SER 34 32.988 2.824 -6.488
265 HG SER 34 HG SER 34 34.412 2.039 -4.922
266 H GLY 35 HN GLY 35 34.211 6.164 -7.481
267 HA2 GLY 35 HA2 GLY 35 31.667 6.430 -8.762
268 HA3 GLY 35 HA1 GLY 35 32.729 7.750 -8.273
269 H LEU 36 HN LEU 36 35.010 6.897 -9.696
270 HA LEU 36 HA LEU 36 34.641 8.172 -12.153
271 HB2 LEU 36 HB2 LEU 36 36.822 7.996 -11.017
272 HB3 LEU 36 HB1 LEU 36 36.838 6.261 -11.320
273 HG LEU 36 HG LEU 36 36.813 6.686 -13.758
274 HD11 LEU 36 HD11 LEU 36 37.438 9.237 -14.247
275 HD12 LEU 36 HD12 LEU 36 36.480 9.493 -12.789
276 HD13 LEU 36 HD13 LEU 36 35.760 8.697 -14.189
277 HD21 LEU 36 HD21 LEU 36 39.088 7.327 -13.929
278 HD22 LEU 36 HD22 LEU 36 38.951 6.647 -12.307
279 HD23 LEU 36 HD23 LEU 36 38.978 8.396 -12.529
280 H HIS 37 HN HIS 37 34.608 4.762 -11.270
281 HA HIS 37 HA HIS 37 34.433 3.809 -13.982
282 HB2 HIS 37 HB2 HIS 37 33.950 2.471 -11.311
283 HB3 HIS 37 HB1 HIS 37 33.863 1.632 -12.861
284 HD2 HIS 37 HD2 HIS 37 36.368 1.157 -14.101
285 HE1 HIS 37 HE1 HIS 37 38.728 2.750 -10.983
286 HE2 HIS 37 HE2 HIS 37 38.787 1.440 -13.158
287 H SER 38 HN SER 38 32.243 4.833 -11.506
288 HA SER 38 HA SER 38 29.857 3.626 -12.492
289 HB2 SER 38 HB2 SER 38 30.023 6.219 -10.954
290 HB3 SER 38 HB1 SER 38 28.697 5.057 -10.981
291 HG SER 38 HG SER 38 30.636 3.613 -10.234
292 H TRP 39 HN TRP 39 31.857 5.838 -13.950
293 HA TRP 39 HA TRP 39 29.941 7.672 -14.997
294 HB2 TRP 39 HB2 TRP 39 32.566 7.813 -14.818
295 HB3 TRP 39 HB1 TRP 39 32.504 7.049 -16.407
296 HD1 TRP 39 HD1 TRP 39 31.523 10.241 -14.566
297 HE1 TRP 39 HE1 TRP 39 30.974 12.066 -16.302
298 HE3 TRP 39 HE3 TRP 39 31.695 7.465 -18.847
299 HZ2 TRP 39 HZ2 TRP 39 30.649 12.315 -19.132
300 HZ3 TRP 39 HZ3 TRP 39 31.263 8.520 -21.047
301 HH2 TRP 39 HH2 TRP 39 30.739 10.939 -21.195
302 H LYS 40 HN LYS 40 31.286 4.600 -16.076
303 HA LYS 40 HA LYS 40 29.803 4.785 -18.599
304 HB2 LYS 40 HB2 LYS 40 31.808 2.769 -17.570
305 HB3 LYS 40 HB1 LYS 40 31.000 2.653 -19.133
306 HG2 LYS 40 HG2 LYS 40 31.931 4.829 -19.795
307 HG3 LYS 40 HG1 LYS 40 32.719 4.980 -18.223
308 HD2 LYS 40 HD2 LYS 40 33.992 2.894 -18.691
309 HD3 LYS 40 HD1 LYS 40 33.254 2.829 -20.292
310 HE2 LYS 40 HE2 LYS 40 34.881 5.172 -19.270
311 HE3 LYS 40 HE1 LYS 40 35.532 3.886 -20.284
312 HZ1 LYS 40 HZ1 LYS 40 33.172 4.782 -21.463
313 HZ2 LYS 40 HZ2 LYS 40 34.759 4.951 -22.044
314 HZ3 LYS 40 HZ3 LYS 40 34.079 6.160 -21.063
315 H LYS 41 HN LYS 41 28.289 3.234 -19.245
316 HA LYS 41 HA LYS 41 26.609 2.234 -17.139
317 HB2 LYS 41 HB2 LYS 41 26.512 1.907 -20.147
318 HB3 LYS 41 HB1 LYS 41 25.264 1.323 -19.046
319 HG2 LYS 41 HG2 LYS 41 24.904 3.613 -18.220
320 HG3 LYS 41 HG1 LYS 41 26.170 4.206 -19.296
321 HD2 LYS 41 HD2 LYS 41 24.882 3.429 -21.250
322 HD3 LYS 41 HD1 LYS 41 23.615 2.831 -20.179
323 HE2 LYS 41 HE2 LYS 41 23.240 5.113 -19.332
324 HE3 LYS 41 HE1 LYS 41 24.517 5.719 -20.388
325 HZ1 LYS 41 HZ1 LYS 41 22.611 4.156 -21.819
326 HZ2 LYS 41 HZ2 LYS 41 23.138 5.747 -22.107
327 HZ3 LYS 41 HZ3 LYS 41 21.864 5.455 -21.020
328 H LYS 42 HN LYS 42 26.272 0.128 -16.499
329 HA LYS 42 HA LYS 42 28.444 -1.722 -16.976
330 HB2 LYS 42 HB2 LYS 42 25.911 -1.919 -15.335
331 HB3 LYS 42 HB1 LYS 42 27.128 -3.193 -15.420
332 HG2 LYS 42 HG2 LYS 42 28.839 -1.633 -14.587
333 HG3 LYS 42 HG1 LYS 42 27.637 -0.342 -14.521
334 HD2 LYS 42 HD2 LYS 42 26.323 -1.636 -12.889
335 HD3 LYS 42 HD1 LYS 42 27.510 -2.939 -12.961
336 HE2 LYS 42 HE2 LYS 42 29.255 -1.401 -12.140
337 HE3 LYS 42 HE1 LYS 42 28.071 -0.096 -12.067
338 HZ1 LYS 42 HZ1 LYS 42 28.098 -2.603 -10.488
339 HZ2 LYS 42 HZ2 LYS 42 26.757 -1.561 -10.553
340 HZ3 LYS 42 HZ3 LYS 42 28.231 -1.014 -9.910
Start of MODEL 16
1 H1 MET 1 HT1 MET 1 57.381 0.711 7.987
2 H2 MET 1 HT2 MET 1 56.065 1.789 7.958
3 H3 MET 1 HT3 MET 1 57.642 2.356 7.657
4 HA MET 1 HA MET 1 56.611 2.229 5.558
5 HB2 MET 1 HB2 MET 1 58.333 -0.207 6.117
6 HB3 MET 1 HB1 MET 1 57.916 0.358 4.499
7 HG2 MET 1 HG2 MET 1 58.992 2.525 4.967
8 HG3 MET 1 HG1 MET 1 59.385 1.988 6.600
9 HE1 MET 1 HE1 MET 1 62.531 1.787 6.289
10 HE2 MET 1 HE2 MET 1 61.371 3.032 5.847
11 HE3 MET 1 HE3 MET 1 62.540 2.462 4.656
12 H ALA 2 HN ALA 2 56.353 -0.891 7.264
13 HA ALA 2 HA ALA 2 54.362 -1.921 5.467
14 HB1 ALA 2 HB1 ALA 2 55.932 -2.885 7.719
15 HB2 ALA 2 HB2 ALA 2 55.265 -3.777 6.350
16 HB3 ALA 2 HB3 ALA 2 54.268 -3.462 7.769
17 H GLU 3 HN GLU 3 52.190 -2.022 5.707
18 HA GLU 3 HA GLU 3 50.951 -0.149 7.510
19 HB2 GLU 3 HB2 GLU 3 49.839 -2.106 5.495
20 HB3 GLU 3 HB1 GLU 3 48.841 -0.984 6.427
21 HG2 GLU 3 HG2 GLU 3 50.078 0.921 5.502
22 HG3 GLU 3 HG1 GLU 3 51.136 -0.178 4.615
23 H ALA 4 HN ALA 4 49.253 -0.679 8.998
24 HA ALA 4 HA ALA 4 49.916 -2.837 10.722
25 HB1 ALA 4 HB1 ALA 4 48.895 -1.242 11.982
26 HB2 ALA 4 HB2 ALA 4 47.437 -2.140 11.553
27 HB3 ALA 4 HB3 ALA 4 47.879 -0.694 10.650
28 H HIS 5 HN HIS 5 48.720 -4.698 11.214
29 HA HIS 5 HA HIS 5 47.669 -6.120 8.998
30 HB2 HIS 5 HB2 HIS 5 48.787 -7.176 10.930
31 HB3 HIS 5 HB1 HIS 5 47.435 -6.708 11.959
32 HD2 HIS 5 HD2 HIS 5 48.113 -9.171 8.930
33 HE1 HIS 5 HE1 HIS 5 44.550 -10.357 10.865
34 HE2 HIS 5 HE2 HIS 5 46.219 -10.964 9.052
35 H GLN 6 HN GLN 6 46.141 -4.573 11.792
36 HA GLN 6 HA GLN 6 43.492 -5.076 10.604
37 HB2 GLN 6 HB2 GLN 6 44.342 -4.318 13.404
38 HB3 GLN 6 HB1 GLN 6 42.659 -4.397 12.884
39 HG2 GLN 6 HG2 GLN 6 42.960 -6.762 12.255
40 HG3 GLN 6 HG1 GLN 6 44.640 -6.690 12.778
41 HE21 GLN 6 HE21 GLN 6 43.682 -8.529 14.242
42 HE22 GLN 6 HE22 GLN 6 43.037 -8.034 15.730
43 H ALA 7 HN ALA 7 42.482 -3.469 9.626
44 HA ALA 7 HA ALA 7 42.862 -0.706 10.488
45 HB1 ALA 7 HB1 ALA 7 44.602 -1.443 8.657
46 HB2 ALA 7 HB2 ALA 7 43.768 0.104 8.505
47 HB3 ALA 7 HB3 ALA 7 43.221 -1.290 7.570
48 H VAL 8 HN VAL 8 41.194 0.683 9.719
49 HA VAL 8 HA VAL 8 38.925 -0.708 8.418
50 HB VAL 8 HB VAL 8 38.880 1.220 10.738
51 HG11 VAL 8 HG11 VAL 8 37.081 1.951 9.375
52 HG12 VAL 8 HG12 VAL 8 36.335 0.804 10.491
53 HG13 VAL 8 HG13 VAL 8 36.718 0.309 8.841
54 HG21 VAL 8 HG21 VAL 8 38.340 -0.588 12.004
55 HG22 VAL 8 HG22 VAL 8 39.065 -1.510 10.689
56 HG23 VAL 8 HG23 VAL 8 37.322 -1.277 10.743
57 H ALA 9 HN ALA 9 37.961 0.342 6.774
58 HA ALA 9 HA ALA 9 39.250 2.638 5.654
59 HB1 ALA 9 HB1 ALA 9 37.187 0.741 4.861
60 HB2 ALA 9 HB2 ALA 9 38.300 1.668 3.857
61 HB3 ALA 9 HB3 ALA 9 36.780 2.388 4.385
62 H PHE 10 HN PHE 10 36.205 2.092 7.405
63 HA PHE 10 HA PHE 10 36.159 4.963 7.962
64 HB2 PHE 10 HB2 PHE 10 33.983 5.356 7.213
65 HB3 PHE 10 HB1 PHE 10 34.723 4.405 5.939
66 HD1 PHE 10 HD1 PHE 10 34.512 1.656 7.505
67 HD2 PHE 10 HD2 PHE 10 31.717 4.815 6.660
68 HE1 PHE 10 HE1 PHE 10 32.640 0.058 7.710
69 HE2 PHE 10 HE2 PHE 10 29.850 3.199 6.851
70 HZ PHE 10 HZ PHE 10 30.306 0.823 7.378
71 H GLN 11 HN GLN 11 35.429 5.572 9.903
72 HA GLN 11 HA GLN 11 34.207 3.512 11.646
73 HB2 GLN 11 HB2 GLN 11 36.454 5.421 12.304
74 HB3 GLN 11 HB1 GLN 11 35.515 4.583 13.535
75 HG2 GLN 11 HG2 GLN 11 36.152 2.414 12.571
76 HG3 GLN 11 HG1 GLN 11 37.061 3.238 11.305
77 HE21 GLN 11 HE21 GLN 11 38.759 1.684 12.564
78 HE22 GLN 11 HE22 GLN 11 39.638 2.470 13.783
79 H PHE 12 HN PHE 12 32.388 4.142 12.663
80 HA PHE 12 HA PHE 12 31.797 7.050 12.707
81 HB2 PHE 12 HB2 PHE 12 30.549 5.298 11.094
82 HB3 PHE 12 HB1 PHE 12 29.617 5.026 12.557
83 HD1 PHE 12 HD1 PHE 12 29.884 7.983 13.597
84 HD2 PHE 12 HD2 PHE 12 28.780 6.264 9.819
85 HE1 PHE 12 HE1 PHE 12 28.595 10.017 13.034
86 HE2 PHE 12 HE2 PHE 12 27.479 8.299 9.274
87 HZ PHE 12 HZ PHE 12 27.387 10.177 10.884
88 H THR 13 HN THR 13 31.557 7.742 14.855
89 HA THR 13 HA THR 13 30.525 5.761 16.817
90 HB THR 13 HB THR 13 32.497 7.744 17.773
91 HG1 THR 13 HG1 THR 13 33.579 7.058 15.986
92 HG21 THR 13 HG21 THR 13 33.142 5.900 19.208
93 HG22 THR 13 HG22 THR 13 32.158 4.779 18.271
94 HG23 THR 13 HG23 THR 13 31.386 6.040 19.228
95 H VAL 14 HN VAL 14 29.052 6.401 18.240
96 HA VAL 14 HA VAL 14 28.187 9.205 18.132
97 HB VAL 14 HB VAL 14 26.799 6.764 19.257
98 HG11 VAL 14 HG11 VAL 14 24.849 8.571 19.036
99 HG12 VAL 14 HG12 VAL 14 26.191 9.699 19.242
100 HG13 VAL 14 HG13 VAL 14 25.858 8.490 20.479
101 HG21 VAL 14 HG21 VAL 14 27.183 7.437 16.624
102 HG22 VAL 14 HG22 VAL 14 25.666 8.266 16.974
103 HG23 VAL 14 HG23 VAL 14 25.800 6.525 17.223
104 H THR 15 HN THR 15 28.616 10.580 19.814
105 HA THR 15 HA THR 15 29.258 9.322 22.414
106 HB THR 15 HB THR 15 30.581 11.724 22.487
107 HG1 THR 15 HG1 THR 15 31.386 10.654 20.049
108 HG21 THR 15 HG21 THR 15 31.566 9.730 23.328
109 HG22 THR 15 HG22 THR 15 32.626 10.255 22.028
110 HG23 THR 15 HG23 THR 15 31.484 8.939 21.756
111 HA PRO 16 HA PRO 16 26.096 11.787 24.272
112 HB2 PRO 16 HB2 PRO 16 28.112 13.033 26.071
113 HB3 PRO 16 HB1 PRO 16 26.628 12.154 26.479
114 HG2 PRO 16 HG2 PRO 16 29.118 11.119 26.751
115 HG3 PRO 16 HG1 PRO 16 27.665 10.145 26.487
116 HD2 PRO 16 HD2 PRO 16 29.896 10.681 24.644
117 HD3 PRO 16 HD1 PRO 16 28.659 9.409 24.585
118 H ASP 17 HN ASP 17 29.203 13.465 23.576
119 HA ASP 17 HA ASP 17 27.971 16.058 23.455
120 HB2 ASP 17 HB2 ASP 17 30.675 15.048 22.570
121 HB3 ASP 17 HB1 ASP 17 30.164 16.730 22.439
122 H GLY 18 HN GLY 18 28.215 13.410 21.188
123 HA2 GLY 18 HA2 GLY 18 26.593 14.471 19.298
124 HA3 GLY 18 HA1 GLY 18 28.160 15.155 18.878
125 H ILE 19 HN ILE 19 28.703 14.049 17.053
126 HA ILE 19 HA ILE 19 29.084 11.173 17.344
127 HB ILE 19 HB ILE 19 28.210 10.813 15.104
128 HG12 ILE 19 HG12 ILE 19 27.333 13.712 15.197
129 HG13 ILE 19 HG11 ILE 19 28.669 13.113 14.216
130 HG21 ILE 19 HG21 ILE 19 26.022 10.669 15.763
131 HG22 ILE 19 HG22 ILE 19 25.995 12.323 16.382
132 HG23 ILE 19 HG23 ILE 19 26.748 11.035 17.329
133 HD11 ILE 19 HD11 ILE 19 26.382 11.443 13.754
134 HD12 ILE 19 HD12 ILE 19 27.242 12.473 12.609
135 HD13 ILE 19 HD13 ILE 19 25.908 13.131 13.554
136 H ASP 20 HN ASP 20 30.668 10.339 15.998
137 HA ASP 20 HA ASP 20 32.504 12.296 14.747
138 HB2 ASP 20 HB2 ASP 20 33.208 10.003 16.588
139 HB3 ASP 20 HB1 ASP 20 34.392 10.861 15.597
140 H LEU 21 HN LEU 21 33.463 11.672 12.820
141 HA LEU 21 HA LEU 21 33.049 8.910 11.926
142 HB2 LEU 21 HB2 LEU 21 32.290 9.720 9.729
143 HB3 LEU 21 HB1 LEU 21 31.194 10.229 11.011
144 HG LEU 21 HG LEU 21 33.038 12.289 10.935
145 HD11 LEU 21 HD11 LEU 21 33.857 11.169 8.775
146 HD12 LEU 21 HD12 LEU 21 33.416 12.873 8.649
147 HD13 LEU 21 HD13 LEU 21 32.306 11.631 8.076
148 HD21 LEU 21 HD21 LEU 21 31.187 13.551 9.886
149 HD22 LEU 21 HD22 LEU 21 30.587 12.485 11.160
150 HD23 LEU 21 HD23 LEU 21 30.395 12.033 9.467
151 H ARG 22 HN ARG 22 34.878 8.125 11.215
152 HA ARG 22 HA ARG 22 36.951 9.976 10.166
153 HB2 ARG 22 HB2 ARG 22 37.308 7.555 11.933
154 HB3 ARG 22 HB1 ARG 22 38.632 8.409 11.149
155 HG2 ARG 22 HG2 ARG 22 37.972 10.496 12.315
156 HG3 ARG 22 HG1 ARG 22 36.657 9.626 13.110
157 HD2 ARG 22 HD2 ARG 22 38.243 8.146 14.215
158 HD3 ARG 22 HD1 ARG 22 39.583 8.885 13.345
159 HE ARG 22 HE ARG 22 39.437 10.752 14.762
160 HH11 ARG 22 HH21 ARG 22 36.863 8.493 15.283
161 HH12 ARG 22 HH22 ARG 22 36.341 9.231 16.755
162 HH21 ARG 22 HH11 ARG 22 38.738 11.715 16.697
163 HH22 ARG 22 HH12 ARG 22 37.383 11.047 17.547
164 H LEU 23 HN LEU 23 38.115 9.382 8.383
165 HA LEU 23 HA LEU 23 37.639 6.724 7.261
166 HB2 LEU 23 HB2 LEU 23 37.163 7.725 5.053
167 HB3 LEU 23 HB1 LEU 23 35.942 8.158 6.248
168 HG LEU 23 HG LEU 23 37.889 10.141 6.516
169 HD11 LEU 23 HD11 LEU 23 38.791 9.300 4.298
170 HD12 LEU 23 HD12 LEU 23 38.300 10.990 4.307
171 HD13 LEU 23 HD13 LEU 23 37.252 9.774 3.581
172 HD21 LEU 23 HD21 LEU 23 35.287 10.131 4.966
173 HD22 LEU 23 HD22 LEU 23 36.136 11.577 5.515
174 HD23 LEU 23 HD23 LEU 23 35.470 10.447 6.692
175 H SER 24 HN SER 24 39.404 5.928 6.285
176 HA SER 24 HA SER 24 41.875 7.381 6.510
177 HB2 SER 24 HB2 SER 24 42.926 5.355 6.020
178 HB3 SER 24 HB1 SER 24 41.439 4.856 6.821
179 HG SER 24 HG SER 24 42.126 3.902 4.652
180 H HIS 25 HN HIS 25 43.380 7.804 4.813
181 HA HIS 25 HA HIS 25 42.353 9.149 2.567
182 HB2 HIS 25 HB2 HIS 25 45.046 8.283 3.464
183 HB3 HIS 25 HB1 HIS 25 44.866 8.644 1.745
184 HD2 HIS 25 HD2 HIS 25 44.386 11.377 1.150
185 HE1 HIS 25 HE1 HIS 25 44.579 12.736 5.141
186 HE2 HIS 25 HE2 HIS 25 44.420 13.469 2.714
187 H GLU 26 HN GLU 26 43.264 5.887 3.106
188 HA GLU 26 HA GLU 26 43.416 4.981 0.412
189 HB2 GLU 26 HB2 GLU 26 44.307 3.756 2.411
190 HB3 GLU 26 HB1 GLU 26 42.644 3.422 2.897
191 HG2 GLU 26 HG2 GLU 26 43.437 1.494 1.693
192 HG3 GLU 26 HG1 GLU 26 42.300 2.331 0.642
193 H ALA 27 HN ALA 27 40.813 5.225 2.796
194 HA ALA 27 HA ALA 27 38.813 3.851 1.382
195 HB1 ALA 27 HB1 ALA 27 38.825 4.765 3.817
196 HB2 ALA 27 HB2 ALA 27 37.306 4.755 2.932
197 HB3 ALA 27 HB3 ALA 27 38.221 6.255 3.097
198 H LEU 28 HN LEU 28 40.009 7.110 1.205
199 HA LEU 28 HA LEU 28 37.971 8.164 -0.495
200 HB2 LEU 28 HB2 LEU 28 40.811 9.092 0.012
201 HB3 LEU 28 HB1 LEU 28 39.641 9.989 -0.946
202 HG LEU 28 HG LEU 28 39.229 9.176 1.947
203 HD11 LEU 28 HD11 LEU 28 39.309 11.955 1.767
204 HD12 LEU 28 HD12 LEU 28 40.625 11.429 0.719
205 HD13 LEU 28 HD13 LEU 28 40.583 10.922 2.409
206 HD21 LEU 28 HD21 LEU 28 37.467 11.145 1.553
207 HD22 LEU 28 HD22 LEU 28 37.069 9.472 1.170
208 HD23 LEU 28 HD23 LEU 28 37.568 10.577 -0.112
209 H ARG 29 HN ARG 29 41.080 6.643 -1.060
210 HA ARG 29 HA ARG 29 41.250 7.108 -3.828
211 HB2 ARG 29 HB2 ARG 29 43.159 6.353 -2.453
212 HB3 ARG 29 HB1 ARG 29 42.377 4.786 -2.254
213 HG2 ARG 29 HG2 ARG 29 42.427 4.441 -4.702
214 HG3 ARG 29 HG1 ARG 29 43.199 6.015 -4.905
215 HD2 ARG 29 HD2 ARG 29 45.056 5.198 -3.412
216 HD3 ARG 29 HD1 ARG 29 44.309 3.602 -3.458
217 HE ARG 29 HE ARG 29 45.754 4.900 -5.622
218 HH11 ARG 29 HH21 ARG 29 43.496 2.454 -4.662
219 HH12 ARG 29 HH22 ARG 29 43.836 1.422 -6.010
220 HH21 ARG 29 HH11 ARG 29 46.198 3.554 -7.394
221 HH22 ARG 29 HH12 ARG 29 45.360 2.049 -7.564
222 H GLN 30 HN GLN 30 39.785 4.369 -2.053
223 HA GLN 30 HA GLN 30 39.197 2.914 -4.441
224 HB2 GLN 30 HB2 GLN 30 38.061 2.729 -1.640
225 HB3 GLN 30 HB1 GLN 30 37.631 1.625 -2.950
226 HG2 GLN 30 HG2 GLN 30 39.973 0.968 -3.216
227 HG3 GLN 30 HG1 GLN 30 40.456 2.119 -1.967
228 HE21 GLN 30 HE21 GLN 30 41.269 -0.293 -1.265
229 HE22 GLN 30 HE22 GLN 30 40.229 -1.061 -0.168
230 H ILE 31 HN ILE 31 37.415 5.159 -2.402
231 HA ILE 31 HA ILE 31 34.937 4.927 -3.702
232 HB ILE 31 HB ILE 31 36.141 7.161 -2.074
233 HG12 ILE 31 HG12 ILE 31 33.932 5.217 -1.385
234 HG13 ILE 31 HG11 ILE 31 35.632 4.868 -1.049
235 HG21 ILE 31 HG21 ILE 31 33.629 7.771 -1.868
236 HG22 ILE 31 HG22 ILE 31 33.427 6.826 -3.342
237 HG23 ILE 31 HG23 ILE 31 34.470 8.247 -3.343
238 HD11 ILE 31 HD11 ILE 31 35.822 6.803 0.372
239 HD12 ILE 31 HD12 ILE 31 34.371 5.937 0.873
240 HD13 ILE 31 HD13 ILE 31 34.234 7.386 -0.116
241 H TYR 32 HN TYR 32 37.618 7.276 -4.310
242 HA TYR 32 HA TYR 32 36.190 8.777 -6.221
243 HB2 TYR 32 HB2 TYR 32 38.230 9.666 -5.314
244 HB3 TYR 32 HB1 TYR 32 39.163 8.296 -5.919
245 HD1 TYR 32 HD2 TYR 32 37.071 11.204 -7.015
246 HD2 TYR 32 HD1 TYR 32 40.008 8.271 -8.116
247 HE1 TYR 32 HE2 TYR 32 37.415 12.364 -9.186
248 HE2 TYR 32 HE1 TYR 32 40.355 9.426 -10.284
249 HH TYR 32 HH TYR 32 40.040 11.831 -11.158
250 H LEU 33 HN LEU 33 38.439 6.027 -6.703
251 HA LEU 33 HA LEU 33 38.159 5.958 -9.513
252 HB2 LEU 33 HB2 LEU 33 38.868 3.795 -7.533
253 HB3 LEU 33 HB1 LEU 33 38.994 3.602 -9.277
254 HG LEU 33 HG LEU 33 40.378 5.796 -7.713
255 HD11 LEU 33 HD11 LEU 33 41.330 3.691 -7.025
256 HD12 LEU 33 HD12 LEU 33 42.444 4.428 -8.175
257 HD13 LEU 33 HD13 LEU 33 41.384 3.117 -8.692
258 HD21 LEU 33 HD21 LEU 33 40.063 5.171 -10.571
259 HD22 LEU 33 HD22 LEU 33 41.744 5.352 -10.080
260 HD23 LEU 33 HD23 LEU 33 40.600 6.663 -9.795
261 H SER 34 HN SER 34 36.351 4.238 -6.950
262 HA SER 34 HA SER 34 34.846 2.584 -8.652
263 HB2 SER 34 HB2 SER 34 33.265 2.420 -6.780
264 HB3 SER 34 HB1 SER 34 34.921 2.305 -6.202
265 HG SER 34 HG SER 34 33.033 4.324 -5.877
266 H GLY 35 HN GLY 35 34.463 5.917 -7.664
267 HA2 GLY 35 HA2 GLY 35 31.873 6.345 -8.797
268 HA3 GLY 35 HA1 GLY 35 33.018 7.590 -8.312
269 H LEU 36 HN LEU 36 35.192 6.779 -9.884
270 HA LEU 36 HA LEU 36 34.698 8.131 -12.277
271 HB2 LEU 36 HB2 LEU 36 36.935 7.949 -11.255
272 HB3 LEU 36 HB1 LEU 36 36.961 6.227 -11.621
273 HG LEU 36 HG LEU 36 36.781 6.742 -14.039
274 HD11 LEU 36 HD11 LEU 36 35.722 8.761 -14.343
275 HD12 LEU 36 HD12 LEU 36 37.389 9.324 -14.433
276 HD13 LEU 36 HD13 LEU 36 36.481 9.495 -12.935
277 HD21 LEU 36 HD21 LEU 36 39.034 6.755 -14.026
278 HD22 LEU 36 HD22 LEU 36 39.008 7.224 -12.331
279 HD23 LEU 36 HD23 LEU 36 39.036 8.459 -13.588
280 H HIS 37 HN HIS 37 34.676 4.698 -11.506
281 HA HIS 37 HA HIS 37 34.434 3.808 -14.228
282 HB2 HIS 37 HB2 HIS 37 33.909 2.444 -11.587
283 HB3 HIS 37 HB1 HIS 37 33.836 1.632 -13.153
284 HD2 HIS 37 HD2 HIS 37 36.410 2.248 -10.489
285 HE1 HIS 37 HE1 HIS 37 38.650 1.929 -14.050
286 HE2 HIS 37 HE2 HIS 37 38.796 2.001 -11.515
287 H SER 38 HN SER 38 32.273 4.884 -11.757
288 HA SER 38 HA SER 38 29.864 3.722 -12.704
289 HB2 SER 38 HB2 SER 38 30.157 6.364 -11.279
290 HB3 SER 38 HB1 SER 38 28.751 5.301 -11.286
291 HG SER 38 HG SER 38 31.153 4.169 -10.490
292 H TRP 39 HN TRP 39 31.921 5.848 -14.265
293 HA TRP 39 HA TRP 39 29.946 7.568 -15.452
294 HB2 TRP 39 HB2 TRP 39 32.874 7.078 -15.847
295 HB3 TRP 39 HB1 TRP 39 31.962 7.944 -17.084
296 HD1 TRP 39 HD1 TRP 39 32.582 8.125 -13.273
297 HE1 TRP 39 HE1 TRP 39 32.470 10.602 -12.568
298 HE3 TRP 39 HE3 TRP 39 31.299 10.229 -17.728
299 HZ2 TRP 39 HZ2 TRP 39 31.894 13.141 -13.746
300 HZ3 TRP 39 HZ3 TRP 39 30.963 12.676 -17.913
301 HH2 TRP 39 HH2 TRP 39 31.259 14.134 -15.931
302 H LYS 40 HN LYS 40 31.283 4.444 -16.104
303 HA LYS 40 HA LYS 40 30.639 4.340 -18.887
304 HB2 LYS 40 HB2 LYS 40 32.300 2.845 -17.804
305 HB3 LYS 40 HB1 LYS 40 30.985 2.063 -16.925
306 HG2 LYS 40 HG2 LYS 40 29.941 1.358 -18.989
307 HG3 LYS 40 HG1 LYS 40 31.120 2.260 -19.947
308 HD2 LYS 40 HD2 LYS 40 32.930 0.835 -19.018
309 HD3 LYS 40 HD1 LYS 40 31.722 -0.096 -18.129
310 HE2 LYS 40 HE2 LYS 40 31.872 0.200 -21.144
311 HE3 LYS 40 HE1 LYS 40 32.300 -1.238 -20.220
312 HZ1 LYS 40 HZ1 LYS 40 29.900 -0.850 -21.264
313 HZ2 LYS 40 HZ2 LYS 40 29.652 -0.151 -19.741
314 HZ3 LYS 40 HZ3 LYS 40 30.155 -1.761 -19.860
315 H LYS 41 HN LYS 41 28.708 3.953 -19.847
316 HA LYS 41 HA LYS 41 26.370 3.628 -18.173
317 HB2 LYS 41 HB2 LYS 41 26.310 5.054 -20.193
318 HB3 LYS 41 HB1 LYS 41 26.575 3.629 -21.194
319 HG2 LYS 41 HG2 LYS 41 24.500 2.620 -20.330
320 HG3 LYS 41 HG1 LYS 41 24.243 4.027 -19.299
321 HD2 LYS 41 HD2 LYS 41 24.153 5.464 -21.297
322 HD3 LYS 41 HD1 LYS 41 24.396 4.047 -22.320
323 HE2 LYS 41 HE2 LYS 41 22.318 3.059 -21.482
324 HE3 LYS 41 HE1 LYS 41 22.069 4.444 -20.419
325 HZ1 LYS 41 HZ1 LYS 41 21.415 5.734 -22.110
326 HZ2 LYS 41 HZ2 LYS 41 21.101 4.261 -22.905
327 HZ3 LYS 41 HZ3 LYS 41 22.558 5.093 -23.190
328 H LYS 42 HN LYS 42 25.312 1.778 -17.712
329 HA LYS 42 HA LYS 42 26.432 -0.751 -18.476
330 HB2 LYS 42 HB2 LYS 42 25.305 -0.278 -16.273
331 HB3 LYS 42 HB1 LYS 42 23.767 -0.248 -17.139
332 HG2 LYS 42 HG2 LYS 42 24.122 -2.538 -17.925
333 HG3 LYS 42 HG1 LYS 42 25.708 -2.578 -17.157
334 HD2 LYS 42 HD2 LYS 42 24.652 -2.275 -14.949
335 HD3 LYS 42 HD1 LYS 42 23.065 -2.250 -15.711
336 HE2 LYS 42 HE2 LYS 42 23.471 -4.534 -16.606
337 HE3 LYS 42 HE1 LYS 42 25.028 -4.559 -15.777
338 HZ1 LYS 42 HZ1 LYS 42 22.844 -3.822 -14.073
339 HZ2 LYS 42 HZ2 LYS 42 24.071 -4.978 -13.832
340 HZ3 LYS 42 HZ3 LYS 42 22.679 -5.381 -14.722
Start of MODEL 17
1 H1 MET 1 HT1 MET 1 54.742 -2.246 -1.769
2 H2 MET 1 HT2 MET 1 53.790 -3.078 -0.634
3 H3 MET 1 HT3 MET 1 55.173 -2.228 -0.130
4 HA MET 1 HA MET 1 54.102 -0.146 -0.927
5 HB2 MET 1 HB2 MET 1 51.775 -2.071 -1.173
6 HB3 MET 1 HB1 MET 1 51.601 -0.315 -1.164
7 HG2 MET 1 HG2 MET 1 53.130 -0.178 -3.118
8 HG3 MET 1 HG1 MET 1 53.220 -1.937 -3.152
9 HE1 MET 1 HE1 MET 1 50.017 -2.843 -2.542
10 HE2 MET 1 HE2 MET 1 51.472 -3.451 -3.328
11 HE3 MET 1 HE3 MET 1 49.992 -3.251 -4.262
12 H ALA 2 HN ALA 2 54.106 -2.616 1.282
13 HA ALA 2 HA ALA 2 53.776 -2.744 3.548
14 HB1 ALA 2 HB1 ALA 2 54.122 -0.751 4.825
15 HB2 ALA 2 HB2 ALA 2 53.647 0.273 3.470
16 HB3 ALA 2 HB3 ALA 2 55.158 -0.635 3.402
17 H GLU 3 HN GLU 3 51.736 -3.707 3.438
18 HA GLU 3 HA GLU 3 49.427 -1.888 3.733
19 HB2 GLU 3 HB2 GLU 3 49.614 -4.765 2.836
20 HB3 GLU 3 HB1 GLU 3 48.088 -3.940 3.162
21 HG2 GLU 3 HG2 GLU 3 48.566 -2.268 1.469
22 HG3 GLU 3 HG1 GLU 3 50.175 -2.937 1.208
23 H ALA 4 HN ALA 4 48.528 -1.712 5.672
24 HA ALA 4 HA ALA 4 49.509 -3.113 7.932
25 HB1 ALA 4 HB1 ALA 4 48.319 -1.598 9.111
26 HB2 ALA 4 HB2 ALA 4 46.835 -1.931 8.217
27 HB3 ALA 4 HB3 ALA 4 48.038 -0.827 7.551
28 H HIS 5 HN HIS 5 48.587 -4.742 9.171
29 HA HIS 5 HA HIS 5 47.141 -6.733 7.760
30 HB2 HIS 5 HB2 HIS 5 47.764 -6.397 10.700
31 HB3 HIS 5 HB1 HIS 5 46.984 -7.829 10.019
32 HD2 HIS 5 HD2 HIS 5 50.539 -6.349 10.380
33 HE1 HIS 5 HE1 HIS 5 50.850 -9.639 7.750
34 HE2 HIS 5 HE2 HIS 5 52.169 -7.950 9.111
35 H GLN 6 HN GLN 6 46.212 -4.333 10.183
36 HA GLN 6 HA GLN 6 43.369 -5.001 9.685
37 HB2 GLN 6 HB2 GLN 6 44.651 -3.738 12.125
38 HB3 GLN 6 HB1 GLN 6 42.923 -4.020 11.913
39 HG2 GLN 6 HG2 GLN 6 45.034 -6.194 11.846
40 HG3 GLN 6 HG1 GLN 6 44.041 -5.811 13.250
41 HE21 GLN 6 HE21 GLN 6 44.210 -7.998 10.792
42 HE22 GLN 6 HE22 GLN 6 42.560 -8.342 10.593
43 H ALA 7 HN ALA 7 42.186 -3.468 8.701
44 HA ALA 7 HA ALA 7 42.898 -0.649 8.994
45 HB1 ALA 7 HB1 ALA 7 43.616 -0.276 6.873
46 HB2 ALA 7 HB2 ALA 7 42.469 -1.425 6.183
47 HB3 ALA 7 HB3 ALA 7 43.981 -2.002 6.885
48 H VAL 8 HN VAL 8 41.163 0.728 8.710
49 HA VAL 8 HA VAL 8 38.617 -0.498 7.837
50 HB VAL 8 HB VAL 8 37.472 0.922 9.552
51 HG11 VAL 8 HG11 VAL 8 37.484 -1.099 10.551
52 HG12 VAL 8 HG12 VAL 8 38.886 -0.539 11.462
53 HG13 VAL 8 HG13 VAL 8 39.110 -1.452 9.970
54 HG21 VAL 8 HG21 VAL 8 40.106 1.990 9.821
55 HG22 VAL 8 HG22 VAL 8 39.690 1.201 11.343
56 HG23 VAL 8 HG23 VAL 8 38.648 2.466 10.692
57 H ALA 9 HN ALA 9 37.551 0.590 6.320
58 HA ALA 9 HA ALA 9 38.674 2.931 5.143
59 HB1 ALA 9 HB1 ALA 9 37.567 1.952 3.456
60 HB2 ALA 9 HB2 ALA 9 36.113 2.695 4.122
61 HB3 ALA 9 HB3 ALA 9 36.535 1.040 4.560
62 H PHE 10 HN PHE 10 35.719 2.370 7.082
63 HA PHE 10 HA PHE 10 35.805 5.209 7.765
64 HB2 PHE 10 HB2 PHE 10 33.168 5.108 7.454
65 HB3 PHE 10 HB1 PHE 10 34.256 5.611 6.171
66 HD1 PHE 10 HD1 PHE 10 33.972 2.056 7.252
67 HD2 PHE 10 HD2 PHE 10 32.779 5.008 4.370
68 HE1 PHE 10 HE1 PHE 10 33.121 0.271 5.785
69 HE2 PHE 10 HE2 PHE 10 31.919 3.209 2.900
70 HZ PHE 10 HZ PHE 10 32.090 0.840 3.609
71 H GLN 11 HN GLN 11 34.961 5.808 9.697
72 HA GLN 11 HA GLN 11 33.707 3.706 11.356
73 HB2 GLN 11 HB2 GLN 11 36.099 5.390 12.090
74 HB3 GLN 11 HB1 GLN 11 35.121 4.539 13.283
75 HG2 GLN 11 HG2 GLN 11 36.426 3.185 10.910
76 HG3 GLN 11 HG1 GLN 11 37.155 3.261 12.514
77 HE21 GLN 11 HE21 GLN 11 36.078 0.875 10.942
78 HE22 GLN 11 HE22 GLN 11 34.961 0.147 11.993
79 H PHE 12 HN PHE 12 32.054 4.336 12.587
80 HA PHE 12 HA PHE 12 31.600 7.234 12.896
81 HB2 PHE 12 HB2 PHE 12 30.037 6.583 11.283
82 HB3 PHE 12 HB1 PHE 12 29.788 5.009 12.019
83 HD1 PHE 12 HD1 PHE 12 29.796 8.188 13.979
84 HD2 PHE 12 HD2 PHE 12 27.415 5.136 12.114
85 HE1 PHE 12 HE1 PHE 12 27.795 8.999 15.190
86 HE2 PHE 12 HE2 PHE 12 25.415 5.964 13.313
87 HZ PHE 12 HZ PHE 12 25.602 7.896 14.851
88 H THR 13 HN THR 13 31.576 7.755 15.020
89 HA THR 13 HA THR 13 30.548 5.728 16.933
90 HB THR 13 HB THR 13 32.633 7.585 17.896
91 HG1 THR 13 HG1 THR 13 34.199 6.000 17.089
92 HG21 THR 13 HG21 THR 13 31.351 5.660 19.120
93 HG22 THR 13 HG22 THR 13 33.083 5.847 19.392
94 HG23 THR 13 HG23 THR 13 32.495 4.612 18.279
95 H VAL 14 HN VAL 14 29.100 6.367 18.350
96 HA VAL 14 HA VAL 14 28.350 9.204 18.382
97 HB VAL 14 HB VAL 14 26.898 6.747 19.393
98 HG11 VAL 14 HG11 VAL 14 26.389 9.682 19.646
99 HG12 VAL 14 HG12 VAL 14 26.043 8.383 20.787
100 HG13 VAL 14 HG13 VAL 14 25.005 8.619 19.381
101 HG21 VAL 14 HG21 VAL 14 26.170 8.616 17.124
102 HG22 VAL 14 HG22 VAL 14 25.434 7.062 17.518
103 HG23 VAL 14 HG23 VAL 14 27.078 7.122 16.879
104 H THR 15 HN THR 15 28.882 10.481 20.084
105 HA THR 15 HA THR 15 29.540 9.125 22.628
106 HB THR 15 HB THR 15 31.638 9.905 22.134
107 HG1 THR 15 HG1 THR 15 30.510 12.378 22.902
108 HG21 THR 15 HG21 THR 15 31.945 12.090 20.818
109 HG22 THR 15 HG22 THR 15 30.217 11.991 20.483
110 HG23 THR 15 HG23 THR 15 31.295 10.710 19.930
111 HA PRO 16 HA PRO 16 26.471 11.600 24.632
112 HB2 PRO 16 HB2 PRO 16 28.616 12.694 26.392
113 HB3 PRO 16 HB1 PRO 16 27.082 11.928 26.838
114 HG2 PRO 16 HG2 PRO 16 29.458 10.679 27.044
115 HG3 PRO 16 HG1 PRO 16 27.942 9.829 26.714
116 HD2 PRO 16 HD2 PRO 16 30.220 10.330 24.909
117 HD3 PRO 16 HD1 PRO 16 28.931 9.113 24.799
118 H ASP 17 HN ASP 17 29.630 13.149 23.962
119 HA ASP 17 HA ASP 17 28.583 15.803 23.934
120 HB2 ASP 17 HB2 ASP 17 31.172 14.599 22.958
121 HB3 ASP 17 HB1 ASP 17 30.805 16.318 22.830
122 H GLY 18 HN GLY 18 28.582 13.239 21.530
123 HA2 GLY 18 HA2 GLY 18 26.925 14.454 19.766
124 HA3 GLY 18 HA1 GLY 18 28.495 15.097 19.304
125 H ILE 19 HN ILE 19 28.867 14.093 17.392
126 HA ILE 19 HA ILE 19 29.075 11.171 17.415
127 HB ILE 19 HB ILE 19 28.273 11.248 15.048
128 HG12 ILE 19 HG12 ILE 19 27.420 14.057 15.774
129 HG13 ILE 19 HG11 ILE 19 28.777 13.676 14.716
130 HG21 ILE 19 HG21 ILE 19 26.766 11.261 17.406
131 HG22 ILE 19 HG22 ILE 19 26.207 10.745 15.816
132 HG23 ILE 19 HG23 ILE 19 25.941 12.404 16.347
133 HD11 ILE 19 HD11 ILE 19 27.001 12.261 13.398
134 HD12 ILE 19 HD12 ILE 19 27.056 14.009 13.181
135 HD13 ILE 19 HD13 ILE 19 25.839 13.290 14.235
136 H ASP 20 HN ASP 20 30.686 10.371 16.121
137 HA ASP 20 HA ASP 20 32.608 12.332 15.004
138 HB2 ASP 20 HB2 ASP 20 33.194 9.842 16.619
139 HB3 ASP 20 HB1 ASP 20 34.415 10.727 15.705
140 H LEU 21 HN LEU 21 33.427 11.863 12.982
141 HA LEU 21 HA LEU 21 32.774 9.222 11.846
142 HB2 LEU 21 HB2 LEU 21 32.393 11.954 10.579
143 HB3 LEU 21 HB1 LEU 21 32.304 10.442 9.684
144 HG LEU 21 HG LEU 21 30.569 11.007 12.102
145 HD11 LEU 21 HD11 LEU 21 30.300 11.836 9.240
146 HD12 LEU 21 HD12 LEU 21 29.785 12.676 10.703
147 HD13 LEU 21 HD13 LEU 21 28.845 11.316 10.090
148 HD21 LEU 21 HD21 LEU 21 29.404 9.331 10.076
149 HD22 LEU 21 HD22 LEU 21 29.818 8.907 11.735
150 HD23 LEU 21 HD23 LEU 21 31.008 8.710 10.450
151 H ARG 22 HN ARG 22 34.575 8.312 11.157
152 HA ARG 22 HA ARG 22 36.800 10.038 10.224
153 HB2 ARG 22 HB2 ARG 22 36.915 7.566 11.940
154 HB3 ARG 22 HB1 ARG 22 38.324 8.209 11.096
155 HG2 ARG 22 HG2 ARG 22 38.017 10.378 12.230
156 HG3 ARG 22 HG1 ARG 22 36.610 9.735 13.078
157 HD2 ARG 22 HD2 ARG 22 37.994 8.073 14.198
158 HD3 ARG 22 HD1 ARG 22 39.401 8.570 13.268
159 HE ARG 22 HE ARG 22 39.459 10.613 14.509
160 HH11 ARG 22 HH21 ARG 22 37.022 8.371 15.600
161 HH12 ARG 22 HH22 ARG 22 36.825 9.156 17.129
162 HH21 ARG 22 HH11 ARG 22 39.170 11.619 16.494
163 HH22 ARG 22 HH12 ARG 22 38.031 10.986 17.635
164 H LEU 23 HN LEU 23 37.857 9.530 8.388
165 HA LEU 23 HA LEU 23 37.252 6.945 7.138
166 HB2 LEU 23 HB2 LEU 23 36.992 9.637 5.767
167 HB3 LEU 23 HB1 LEU 23 36.876 8.066 4.975
168 HG LEU 23 HG LEU 23 35.051 7.679 6.908
169 HD11 LEU 23 HD11 LEU 23 33.899 9.613 7.557
170 HD12 LEU 23 HD12 LEU 23 34.585 10.578 6.250
171 HD13 LEU 23 HD13 LEU 23 35.580 10.138 7.635
172 HD21 LEU 23 HD21 LEU 23 34.594 9.196 4.319
173 HD22 LEU 23 HD22 LEU 23 33.346 8.347 5.230
174 HD23 LEU 23 HD23 LEU 23 34.666 7.442 4.491
175 H SER 24 HN SER 24 38.996 6.063 6.273
176 HA SER 24 HA SER 24 41.542 7.354 6.547
177 HB2 SER 24 HB2 SER 24 40.659 4.680 5.490
178 HB3 SER 24 HB1 SER 24 42.334 5.211 5.372
179 HG SER 24 HG SER 24 41.953 4.057 7.303
180 H HIS 25 HN HIS 25 42.954 8.002 4.986
181 HA HIS 25 HA HIS 25 41.980 9.292 2.715
182 HB2 HIS 25 HB2 HIS 25 44.735 8.304 3.439
183 HB3 HIS 25 HB1 HIS 25 44.421 9.164 1.932
184 HD2 HIS 25 HD2 HIS 25 44.680 9.933 5.760
185 HE1 HIS 25 HE1 HIS 25 43.843 13.559 3.766
186 HE2 HIS 25 HE2 HIS 25 44.484 12.528 5.995
187 H GLU 26 HN GLU 26 42.885 6.027 3.281
188 HA GLU 26 HA GLU 26 43.132 5.180 0.565
189 HB2 GLU 26 HB2 GLU 26 42.525 3.643 3.098
190 HB3 GLU 26 HB1 GLU 26 42.803 2.889 1.528
191 HG2 GLU 26 HG2 GLU 26 45.037 3.885 1.411
192 HG3 GLU 26 HG1 GLU 26 44.766 4.717 2.943
193 H ALA 27 HN ALA 27 40.482 5.379 2.877
194 HA ALA 27 HA ALA 27 38.520 3.971 1.437
195 HB1 ALA 27 HB1 ALA 27 37.515 6.298 2.910
196 HB2 ALA 27 HB2 ALA 27 38.631 5.313 3.854
197 HB3 ALA 27 HB3 ALA 27 37.187 4.580 3.158
198 H LEU 28 HN LEU 28 39.747 7.189 1.244
199 HA LEU 28 HA LEU 28 37.758 8.274 -0.504
200 HB2 LEU 28 HB2 LEU 28 40.579 9.141 0.135
201 HB3 LEU 28 HB1 LEU 28 39.488 10.073 -0.880
202 HG LEU 28 HG LEU 28 38.841 9.210 1.958
203 HD11 LEU 28 HD11 LEU 28 39.554 11.273 2.767
204 HD12 LEU 28 HD12 LEU 28 39.456 12.045 1.185
205 HD13 LEU 28 HD13 LEU 28 40.782 10.944 1.547
206 HD21 LEU 28 HD21 LEU 28 37.294 11.388 1.393
207 HD22 LEU 28 HD22 LEU 28 36.758 9.723 1.177
208 HD23 LEU 28 HD23 LEU 28 37.381 10.635 -0.195
209 H ARG 29 HN ARG 29 40.903 6.755 -0.967
210 HA ARG 29 HA ARG 29 41.137 7.222 -3.730
211 HB2 ARG 29 HB2 ARG 29 43.026 6.500 -2.313
212 HB3 ARG 29 HB1 ARG 29 42.269 4.916 -2.128
213 HG2 ARG 29 HG2 ARG 29 42.425 4.497 -4.508
214 HG3 ARG 29 HG1 ARG 29 43.000 6.137 -4.804
215 HD2 ARG 29 HD2 ARG 29 44.897 4.600 -4.805
216 HD3 ARG 29 HD1 ARG 29 44.998 5.663 -3.405
217 HE ARG 29 HE ARG 29 43.607 3.301 -2.691
218 HH11 ARG 29 HH21 ARG 29 46.742 4.472 -3.566
219 HH12 ARG 29 HH22 ARG 29 47.597 3.281 -2.643
220 HH21 ARG 29 HH11 ARG 29 44.717 1.746 -1.469
221 HH22 ARG 29 HH12 ARG 29 46.448 1.738 -1.455
222 H GLN 30 HN GLN 30 39.586 4.549 -1.974
223 HA GLN 30 HA GLN 30 39.059 3.007 -4.320
224 HB2 GLN 30 HB2 GLN 30 37.839 2.984 -1.555
225 HB3 GLN 30 HB1 GLN 30 37.443 1.810 -2.813
226 HG2 GLN 30 HG2 GLN 30 39.804 1.168 -2.982
227 HG3 GLN 30 HG1 GLN 30 40.227 2.366 -1.762
228 HE21 GLN 30 HE21 GLN 30 41.052 0.050 -0.902
229 HE22 GLN 30 HE22 GLN 30 39.978 -0.714 0.168
230 H ILE 31 HN ILE 31 37.227 5.360 -2.437
231 HA ILE 31 HA ILE 31 34.804 5.061 -3.822
232 HB ILE 31 HB ILE 31 35.954 7.373 -2.259
233 HG12 ILE 31 HG12 ILE 31 33.701 5.470 -1.567
234 HG13 ILE 31 HG11 ILE 31 35.379 5.121 -1.160
235 HG21 ILE 31 HG21 ILE 31 33.361 7.910 -2.207
236 HG22 ILE 31 HG22 ILE 31 33.370 7.045 -3.744
237 HG23 ILE 31 HG23 ILE 31 34.365 8.486 -3.539
238 HD11 ILE 31 HD11 ILE 31 33.995 6.276 0.655
239 HD12 ILE 31 HD12 ILE 31 34.035 7.711 -0.367
240 HD13 ILE 31 HD13 ILE 31 35.537 7.032 0.260
241 H TYR 32 HN TYR 32 37.505 7.371 -4.456
242 HA TYR 32 HA TYR 32 36.170 8.759 -6.523
243 HB2 TYR 32 HB2 TYR 32 38.167 9.680 -5.536
244 HB3 TYR 32 HB1 TYR 32 39.118 8.286 -6.049
245 HD1 TYR 32 HD2 TYR 32 36.914 10.983 -7.428
246 HD2 TYR 32 HD1 TYR 32 40.242 8.355 -8.107
247 HE1 TYR 32 HE2 TYR 32 37.344 12.089 -9.606
248 HE2 TYR 32 HE1 TYR 32 40.672 9.461 -10.286
249 HH TYR 32 HH TYR 32 40.203 11.337 -11.513
250 H LEU 33 HN LEU 33 38.423 6.003 -6.681
251 HA LEU 33 HA LEU 33 38.364 5.736 -9.487
252 HB2 LEU 33 HB2 LEU 33 39.108 3.941 -7.215
253 HB3 LEU 33 HB1 LEU 33 38.946 3.247 -8.821
254 HG LEU 33 HG LEU 33 40.539 5.134 -9.604
255 HD11 LEU 33 HD11 LEU 33 41.731 6.362 -8.054
256 HD12 LEU 33 HD12 LEU 33 41.562 5.139 -6.797
257 HD13 LEU 33 HD13 LEU 33 40.217 6.207 -7.172
258 HD21 LEU 33 HD21 LEU 33 41.189 2.781 -9.444
259 HD22 LEU 33 HD22 LEU 33 41.481 2.961 -7.715
260 HD23 LEU 33 HD23 LEU 33 42.506 3.807 -8.873
261 H SER 34 HN SER 34 36.316 4.193 -6.983
262 HA SER 34 HA SER 34 34.956 2.461 -8.746
263 HB2 SER 34 HB2 SER 34 34.060 3.707 -6.140
264 HB3 SER 34 HB1 SER 34 33.163 2.454 -6.996
265 HG SER 34 HG SER 34 34.866 1.906 -5.283
266 H GLY 35 HN GLY 35 34.440 5.827 -7.882
267 HA2 GLY 35 HA2 GLY 35 31.934 6.123 -9.231
268 HA3 GLY 35 HA1 GLY 35 32.990 7.431 -8.701
269 H LEU 36 HN LEU 36 35.304 6.576 -10.064
270 HA LEU 36 HA LEU 36 34.993 7.868 -12.526
271 HB2 LEU 36 HB2 LEU 36 37.132 7.648 -11.242
272 HB3 LEU 36 HB1 LEU 36 37.193 5.957 -11.728
273 HG LEU 36 HG LEU 36 37.167 6.673 -14.118
274 HD11 LEU 36 HD11 LEU 36 37.915 9.217 -14.301
275 HD12 LEU 36 HD12 LEU 36 36.996 9.365 -12.805
276 HD13 LEU 36 HD13 LEU 36 36.207 8.785 -14.272
277 HD21 LEU 36 HD21 LEU 36 39.330 7.726 -12.283
278 HD22 LEU 36 HD22 LEU 36 39.494 7.726 -14.039
279 HD23 LEU 36 HD23 LEU 36 39.313 6.201 -13.170
280 H HIS 37 HN HIS 37 34.952 4.462 -11.646
281 HA HIS 37 HA HIS 37 34.924 3.503 -14.358
282 HB2 HIS 37 HB2 HIS 37 34.225 2.161 -11.732
283 HB3 HIS 37 HB1 HIS 37 34.331 1.330 -13.285
284 HD2 HIS 37 HD2 HIS 37 37.125 3.719 -13.557
285 HE1 HIS 37 HE1 HIS 37 38.813 0.515 -11.387
286 HE2 HIS 37 HE2 HIS 37 39.336 2.619 -12.708
287 H SER 38 HN SER 38 32.623 4.612 -12.041
288 HA SER 38 HA SER 38 30.262 3.435 -13.124
289 HB2 SER 38 HB2 SER 38 30.392 6.077 -11.673
290 HB3 SER 38 HB1 SER 38 29.061 4.924 -11.716
291 HG SER 38 HG SER 38 31.386 3.804 -10.856
292 H TRP 39 HN TRP 39 32.396 5.646 -14.480
293 HA TRP 39 HA TRP 39 30.568 7.448 -15.698
294 HB2 TRP 39 HB2 TRP 39 32.999 7.896 -15.419
295 HB3 TRP 39 HB1 TRP 39 33.341 6.650 -16.617
296 HD1 TRP 39 HD1 TRP 39 31.848 10.141 -16.247
297 HE1 TRP 39 HE1 TRP 39 31.679 11.229 -18.576
298 HE3 TRP 39 HE3 TRP 39 33.132 6.161 -19.180
299 HZ2 TRP 39 HZ2 TRP 39 32.038 10.510 -21.320
300 HZ3 TRP 39 HZ3 TRP 39 33.208 6.392 -21.646
301 HH2 TRP 39 HH2 TRP 39 32.663 8.559 -22.720
302 H LYS 40 HN LYS 40 31.911 4.319 -16.608
303 HA LYS 40 HA LYS 40 30.810 4.403 -19.282
304 HB2 LYS 40 HB2 LYS 40 31.955 2.100 -17.674
305 HB3 LYS 40 HB1 LYS 40 31.536 2.036 -19.387
306 HG2 LYS 40 HG2 LYS 40 33.146 3.881 -19.827
307 HG3 LYS 40 HG1 LYS 40 33.594 3.872 -18.123
308 HD2 LYS 40 HD2 LYS 40 34.315 1.505 -18.337
309 HD3 LYS 40 HD1 LYS 40 33.912 1.557 -20.054
310 HE2 LYS 40 HE2 LYS 40 35.549 3.356 -20.408
311 HE3 LYS 40 HE1 LYS 40 35.930 3.362 -18.687
312 HZ1 LYS 40 HZ1 LYS 40 37.555 2.080 -19.896
313 HZ2 LYS 40 HZ2 LYS 40 36.340 1.097 -20.564
314 HZ3 LYS 40 HZ3 LYS 40 36.653 1.050 -18.895
315 H LYS 41 HN LYS 41 28.855 3.661 -19.947
316 HA LYS 41 HA LYS 41 26.890 2.980 -17.940
317 HB2 LYS 41 HB2 LYS 41 26.722 3.127 -20.962
318 HB3 LYS 41 HB1 LYS 41 25.349 2.781 -19.911
319 HG2 LYS 41 HG2 LYS 41 25.727 4.951 -18.748
320 HG3 LYS 41 HG1 LYS 41 27.045 5.295 -19.869
321 HD2 LYS 41 HD2 LYS 41 25.461 5.148 -21.768
322 HD3 LYS 41 HD1 LYS 41 24.145 4.837 -20.636
323 HE2 LYS 41 HE2 LYS 41 25.884 7.318 -20.563
324 HE3 LYS 41 HE1 LYS 41 24.306 7.242 -21.350
325 HZ1 LYS 41 HZ1 LYS 41 23.281 6.701 -19.276
326 HZ2 LYS 41 HZ2 LYS 41 24.225 8.096 -19.051
327 HZ3 LYS 41 HZ3 LYS 41 24.783 6.591 -18.494
328 H LYS 42 HN LYS 42 25.816 1.002 -17.700
329 HA LYS 42 HA LYS 42 26.654 -1.266 -19.328
330 HB2 LYS 42 HB2 LYS 42 28.363 -1.080 -17.494
331 HB3 LYS 42 HB1 LYS 42 27.059 -1.330 -16.331
332 HG2 LYS 42 HG2 LYS 42 26.531 -3.495 -17.326
333 HG3 LYS 42 HG1 LYS 42 27.746 -3.246 -18.580
334 HD2 LYS 42 HD2 LYS 42 29.508 -3.170 -16.848
335 HD3 LYS 42 HD1 LYS 42 28.289 -3.447 -15.603
336 HE2 LYS 42 HE2 LYS 42 27.697 -5.599 -16.661
337 HE3 LYS 42 HE1 LYS 42 28.920 -5.326 -17.901
338 HZ1 LYS 42 HZ1 LYS 42 30.602 -5.752 -16.474
339 HZ2 LYS 42 HZ2 LYS 42 29.413 -6.693 -15.709
340 HZ3 LYS 42 HZ3 LYS 42 29.781 -5.142 -15.121
Start of MODEL 18
1 H1 MET 1 HT1 MET 1 49.271 -12.775 25.203
2 H2 MET 1 HT2 MET 1 50.867 -13.335 25.053
3 H3 MET 1 HT3 MET 1 49.857 -13.269 23.689
4 HA MET 1 HA MET 1 49.956 -10.715 24.861
5 HB2 MET 1 HB2 MET 1 52.616 -12.053 24.287
6 HB3 MET 1 HB1 MET 1 52.404 -10.309 24.445
7 HG2 MET 1 HG2 MET 1 51.510 -10.646 26.739
8 HG3 MET 1 HG1 MET 1 51.788 -12.381 26.574
9 HE1 MET 1 HE1 MET 1 53.061 -12.594 28.537
10 HE2 MET 1 HE2 MET 1 53.129 -10.908 29.046
11 HE3 MET 1 HE3 MET 1 54.614 -11.851 28.944
12 H ALA 2 HN ALA 2 51.601 -9.502 23.008
13 HA ALA 2 HA ALA 2 51.562 -8.729 20.841
14 HB1 ALA 2 HB1 ALA 2 52.158 -10.281 19.224
15 HB2 ALA 2 HB2 ALA 2 51.092 -11.524 19.880
16 HB3 ALA 2 HB3 ALA 2 52.607 -11.139 20.698
17 H GLU 3 HN GLU 3 49.800 -7.555 20.347
18 HA GLU 3 HA GLU 3 47.448 -9.003 19.336
19 HB2 GLU 3 HB2 GLU 3 46.975 -8.383 21.686
20 HB3 GLU 3 HB1 GLU 3 47.288 -6.693 21.284
21 HG2 GLU 3 HG2 GLU 3 45.457 -6.693 19.672
22 HG3 GLU 3 HG1 GLU 3 45.186 -8.413 19.937
23 H ALA 4 HN ALA 4 46.237 -7.880 17.797
24 HA ALA 4 HA ALA 4 47.165 -5.243 16.942
25 HB1 ALA 4 HB1 ALA 4 46.946 -7.262 14.774
26 HB2 ALA 4 HB2 ALA 4 48.385 -7.335 15.791
27 HB3 ALA 4 HB3 ALA 4 48.006 -5.858 14.907
28 H HIS 5 HN HIS 5 45.696 -4.150 15.601
29 HA HIS 5 HA HIS 5 42.976 -5.317 15.549
30 HB2 HIS 5 HB2 HIS 5 43.996 -2.513 15.918
31 HB3 HIS 5 HB1 HIS 5 42.370 -2.790 15.299
32 HD2 HIS 5 HD2 HIS 5 44.302 -2.986 18.671
33 HE1 HIS 5 HE1 HIS 5 40.376 -4.366 19.384
34 HE2 HIS 5 HE2 HIS 5 42.562 -3.691 20.485
35 H GLN 6 HN GLN 6 41.799 -5.256 13.655
36 HA GLN 6 HA GLN 6 43.289 -5.091 11.209
37 HB2 GLN 6 HB2 GLN 6 41.456 -6.715 11.539
38 HB3 GLN 6 HB1 GLN 6 40.309 -5.379 11.642
39 HG2 GLN 6 HG2 GLN 6 40.811 -4.694 9.372
40 HG3 GLN 6 HG1 GLN 6 42.110 -5.881 9.260
41 HE21 GLN 6 HE21 GLN 6 39.858 -5.851 7.447
42 HE22 GLN 6 HE22 GLN 6 38.971 -7.275 7.706
43 H ALA 7 HN ALA 7 43.291 -3.525 9.673
44 HA ALA 7 HA ALA 7 42.652 -0.861 10.411
45 HB1 ALA 7 HB1 ALA 7 44.312 -0.778 8.864
46 HB2 ALA 7 HB2 ALA 7 42.970 -0.708 7.722
47 HB3 ALA 7 HB3 ALA 7 43.768 -2.246 8.052
48 H VAL 8 HN VAL 8 40.990 0.477 9.824
49 HA VAL 8 HA VAL 8 38.727 -0.755 8.371
50 HB VAL 8 HB VAL 8 38.709 1.011 10.817
51 HG11 VAL 8 HG11 VAL 8 36.139 0.748 10.443
52 HG12 VAL 8 HG12 VAL 8 36.577 0.442 8.762
53 HG13 VAL 8 HG13 VAL 8 36.998 1.979 9.518
54 HG21 VAL 8 HG21 VAL 8 37.127 -1.501 10.376
55 HG22 VAL 8 HG22 VAL 8 37.765 -0.835 11.880
56 HG23 VAL 8 HG23 VAL 8 38.847 -1.633 10.739
57 H ALA 9 HN ALA 9 37.853 0.364 6.759
58 HA ALA 9 HA ALA 9 39.204 2.670 5.730
59 HB1 ALA 9 HB1 ALA 9 36.522 2.081 4.671
60 HB2 ALA 9 HB2 ALA 9 37.649 0.727 4.616
61 HB3 ALA 9 HB3 ALA 9 38.060 2.248 3.825
62 H PHE 10 HN PHE 10 36.177 2.106 7.451
63 HA PHE 10 HA PHE 10 36.034 4.976 7.960
64 HB2 PHE 10 HB2 PHE 10 33.400 4.540 7.635
65 HB3 PHE 10 HB1 PHE 10 34.448 5.180 6.379
66 HD1 PHE 10 HD1 PHE 10 34.553 1.598 7.489
67 HD2 PHE 10 HD2 PHE 10 33.151 4.386 4.528
68 HE1 PHE 10 HE1 PHE 10 33.998 -0.275 5.988
69 HE2 PHE 10 HE2 PHE 10 32.575 2.494 3.035
70 HZ PHE 10 HZ PHE 10 33.001 0.165 3.765
71 H GLN 11 HN GLN 11 35.441 5.533 9.947
72 HA GLN 11 HA GLN 11 34.248 3.461 11.700
73 HB2 GLN 11 HB2 GLN 11 36.743 4.992 11.979
74 HB3 GLN 11 HB1 GLN 11 35.701 5.061 13.400
75 HG2 GLN 11 HG2 GLN 11 36.410 2.466 12.017
76 HG3 GLN 11 HG1 GLN 11 37.349 3.127 13.356
77 HE21 GLN 11 HE21 GLN 11 35.102 0.836 12.857
78 HE22 GLN 11 HE22 GLN 11 34.206 0.960 14.294
79 H PHE 12 HN PHE 12 32.451 4.079 12.772
80 HA PHE 12 HA PHE 12 31.869 6.974 12.922
81 HB2 PHE 12 HB2 PHE 12 30.393 6.142 11.302
82 HB3 PHE 12 HB1 PHE 12 30.169 4.621 12.148
83 HD1 PHE 12 HD1 PHE 12 30.009 7.948 13.841
84 HD2 PHE 12 HD2 PHE 12 27.787 4.667 12.186
85 HE1 PHE 12 HE1 PHE 12 27.955 8.781 14.937
86 HE2 PHE 12 HE2 PHE 12 25.730 5.515 13.272
87 HZ PHE 12 HZ PHE 12 25.812 7.574 14.645
88 H THR 13 HN THR 13 31.673 7.643 14.997
89 HA THR 13 HA THR 13 30.666 5.708 17.009
90 HB THR 13 HB THR 13 32.693 7.696 17.850
91 HG1 THR 13 HG1 THR 13 33.129 6.062 15.854
92 HG21 THR 13 HG21 THR 13 33.228 5.987 19.455
93 HG22 THR 13 HG22 THR 13 32.285 4.788 18.569
94 HG23 THR 13 HG23 THR 13 31.471 6.119 19.391
95 H VAL 14 HN VAL 14 29.189 6.375 18.352
96 HA VAL 14 HA VAL 14 28.309 9.171 18.208
97 HB VAL 14 HB VAL 14 26.648 7.389 17.762
98 HG11 VAL 14 HG11 VAL 14 26.653 6.610 20.642
99 HG12 VAL 14 HG12 VAL 14 27.928 5.936 19.627
100 HG13 VAL 14 HG13 VAL 14 26.236 5.655 19.220
101 HG21 VAL 14 HG21 VAL 14 24.937 8.238 19.281
102 HG22 VAL 14 HG22 VAL 14 25.995 9.565 18.805
103 HG23 VAL 14 HG23 VAL 14 26.172 8.823 20.395
104 H THR 15 HN THR 15 28.786 10.551 19.864
105 HA THR 15 HA THR 15 29.361 9.339 22.500
106 HB THR 15 HB THR 15 30.796 11.594 22.663
107 HG1 THR 15 HG1 THR 15 30.231 11.212 20.032
108 HG21 THR 15 HG21 THR 15 31.476 8.872 21.582
109 HG22 THR 15 HG22 THR 15 31.871 9.570 23.152
110 HG23 THR 15 HG23 THR 15 32.727 10.110 21.709
111 HA PRO 16 HA PRO 16 26.227 11.853 24.307
112 HB2 PRO 16 HB2 PRO 16 28.273 13.128 26.058
113 HB3 PRO 16 HB1 PRO 16 26.770 12.300 26.500
114 HG2 PRO 16 HG2 PRO 16 29.207 11.198 26.818
115 HG3 PRO 16 HG1 PRO 16 27.743 10.252 26.511
116 HD2 PRO 16 HD2 PRO 16 30.029 10.780 24.713
117 HD3 PRO 16 HD1 PRO 16 28.812 9.486 24.661
118 H ASP 17 HN ASP 17 29.322 13.458 23.549
119 HA ASP 17 HA ASP 17 28.154 16.070 23.404
120 HB2 ASP 17 HB2 ASP 17 30.827 14.923 22.627
121 HB3 ASP 17 HB1 ASP 17 30.408 16.612 22.350
122 H GLY 18 HN GLY 18 28.363 13.402 21.118
123 HA2 GLY 18 HA2 GLY 18 26.714 14.476 19.250
124 HA3 GLY 18 HA1 GLY 18 28.277 15.146 18.797
125 H ILE 19 HN ILE 19 28.715 14.042 16.928
126 HA ILE 19 HA ILE 19 29.016 11.131 17.147
127 HB ILE 19 HB ILE 19 28.268 11.071 14.722
128 HG12 ILE 19 HG12 ILE 19 27.021 13.742 15.396
129 HG13 ILE 19 HG11 ILE 19 28.520 13.599 14.477
130 HG21 ILE 19 HG21 ILE 19 25.795 11.340 15.403
131 HG22 ILE 19 HG22 ILE 19 26.412 11.801 16.989
132 HG23 ILE 19 HG23 ILE 19 26.759 10.200 16.343
133 HD11 ILE 19 HD11 ILE 19 26.018 12.110 13.676
134 HD12 ILE 19 HD12 ILE 19 27.451 12.439 12.703
135 HD13 ILE 19 HD13 ILE 19 26.346 13.751 13.113
136 H ASP 20 HN ASP 20 30.657 10.301 15.863
137 HA ASP 20 HA ASP 20 32.516 12.259 14.650
138 HB2 ASP 20 HB2 ASP 20 33.230 11.488 16.968
139 HB3 ASP 20 HB1 ASP 20 33.447 9.887 16.265
140 H LEU 21 HN LEU 21 33.486 11.633 12.757
141 HA LEU 21 HA LEU 21 33.071 8.856 11.885
142 HB2 LEU 21 HB2 LEU 21 32.435 11.351 10.286
143 HB3 LEU 21 HB1 LEU 21 32.441 9.716 9.633
144 HG LEU 21 HG LEU 21 30.827 9.364 11.798
145 HD11 LEU 21 HD11 LEU 21 31.057 11.974 12.045
146 HD12 LEU 21 HD12 LEU 21 29.480 11.213 12.244
147 HD13 LEU 21 HD13 LEU 21 29.888 12.007 10.723
148 HD21 LEU 21 HD21 LEU 21 30.014 10.333 9.040
149 HD22 LEU 21 HD22 LEU 21 28.956 9.496 10.176
150 HD23 LEU 21 HD23 LEU 21 30.351 8.662 9.493
151 H ARG 22 HN ARG 22 34.973 8.056 11.448
152 HA ARG 22 HA ARG 22 37.105 9.829 10.398
153 HB2 ARG 22 HB2 ARG 22 37.312 7.282 12.019
154 HB3 ARG 22 HB1 ARG 22 38.691 8.106 11.288
155 HG2 ARG 22 HG2 ARG 22 38.214 10.126 12.574
156 HG3 ARG 22 HG1 ARG 22 36.766 9.381 13.249
157 HD2 ARG 22 HD2 ARG 22 38.598 9.224 14.859
158 HD3 ARG 22 HD1 ARG 22 38.164 7.618 14.282
159 HE ARG 22 HE ARG 22 40.248 8.659 12.666
160 HH11 ARG 22 HH21 ARG 22 39.561 7.497 15.851
161 HH12 ARG 22 HH22 ARG 22 41.166 6.918 16.140
162 HH21 ARG 22 HH11 ARG 22 42.372 7.893 13.045
163 HH22 ARG 22 HH12 ARG 22 42.757 7.155 14.564
164 H LEU 23 HN LEU 23 38.154 9.334 8.512
165 HA LEU 23 HA LEU 23 37.584 6.719 7.311
166 HB2 LEU 23 HB2 LEU 23 37.242 9.366 5.873
167 HB3 LEU 23 HB1 LEU 23 37.115 7.766 5.142
168 HG LEU 23 HG LEU 23 35.358 7.449 7.162
169 HD11 LEU 23 HD11 LEU 23 34.847 10.305 6.358
170 HD12 LEU 23 HD12 LEU 23 35.875 9.943 7.745
171 HD13 LEU 23 HD13 LEU 23 34.195 9.408 7.728
172 HD21 LEU 23 HD21 LEU 23 33.584 8.143 5.493
173 HD22 LEU 23 HD22 LEU 23 34.788 7.023 4.858
174 HD23 LEU 23 HD23 LEU 23 34.885 8.738 4.463
175 H SER 24 HN SER 24 39.309 5.853 6.380
176 HA SER 24 HA SER 24 41.871 7.130 6.571
177 HB2 SER 24 HB2 SER 24 40.897 4.479 5.545
178 HB3 SER 24 HB1 SER 24 42.563 4.986 5.280
179 HG SER 24 HG SER 24 42.304 5.516 7.712
180 H HIS 25 HN HIS 25 43.271 7.680 4.892
181 HA HIS 25 HA HIS 25 42.168 9.075 2.721
182 HB2 HIS 25 HB2 HIS 25 44.897 8.187 3.521
183 HB3 HIS 25 HB1 HIS 25 44.669 8.646 1.833
184 HD2 HIS 25 HD2 HIS 25 45.027 10.327 5.291
185 HE1 HIS 25 HE1 HIS 25 43.919 13.369 2.581
186 HE2 HIS 25 HE2 HIS 25 44.747 12.898 4.934
187 H GLU 26 HN GLU 26 43.099 5.780 3.150
188 HA GLU 26 HA GLU 26 43.201 4.987 0.418
189 HB2 GLU 26 HB2 GLU 26 42.591 3.376 2.914
190 HB3 GLU 26 HB1 GLU 26 42.927 2.688 1.326
191 HG2 GLU 26 HG2 GLU 26 44.825 4.501 2.844
192 HG3 GLU 26 HG1 GLU 26 44.945 2.744 2.803
193 H ALA 27 HN ALA 27 40.638 5.195 2.825
194 HA ALA 27 HA ALA 27 38.598 3.878 1.409
195 HB1 ALA 27 HB1 ALA 27 37.320 4.450 3.185
196 HB2 ALA 27 HB2 ALA 27 37.716 6.161 3.030
197 HB3 ALA 27 HB3 ALA 27 38.817 5.076 3.878
198 H LEU 28 HN LEU 28 39.831 7.128 1.302
199 HA LEU 28 HA LEU 28 37.778 8.284 -0.317
200 HB2 LEU 28 HB2 LEU 28 40.647 9.100 0.170
201 HB3 LEU 28 HB1 LEU 28 39.505 10.064 -0.759
202 HG LEU 28 HG LEU 28 39.049 9.168 2.101
203 HD11 LEU 28 HD11 LEU 28 40.475 10.808 2.680
204 HD12 LEU 28 HD12 LEU 28 39.332 11.957 1.986
205 HD13 LEU 28 HD13 LEU 28 40.648 11.322 0.999
206 HD21 LEU 28 HD21 LEU 28 37.443 11.298 1.757
207 HD22 LEU 28 HD22 LEU 28 36.913 9.662 1.374
208 HD23 LEU 28 HD23 LEU 28 37.479 10.728 0.090
209 H ARG 29 HN ARG 29 40.867 6.745 -1.025
210 HA ARG 29 HA ARG 29 40.969 7.343 -3.774
211 HB2 ARG 29 HB2 ARG 29 42.150 5.039 -2.201
212 HB3 ARG 29 HB1 ARG 29 42.529 5.375 -3.888
213 HG2 ARG 29 HG2 ARG 29 43.352 7.619 -3.263
214 HG3 ARG 29 HG1 ARG 29 42.975 7.280 -1.572
215 HD2 ARG 29 HD2 ARG 29 44.529 5.378 -1.592
216 HD3 ARG 29 HD1 ARG 29 44.903 5.685 -3.283
217 HE ARG 29 HE ARG 29 45.790 7.267 -0.986
218 HH11 ARG 29 HH21 ARG 29 45.433 6.939 -4.415
219 HH12 ARG 29 HH22 ARG 29 46.701 8.054 -4.790
220 HH21 ARG 29 HH11 ARG 29 47.448 8.735 -1.470
221 HH22 ARG 29 HH12 ARG 29 47.861 9.053 -3.122
222 H GLN 30 HN GLN 30 39.420 4.666 -2.028
223 HA GLN 30 HA GLN 30 38.789 3.186 -4.392
224 HB2 GLN 30 HB2 GLN 30 37.599 3.133 -1.611
225 HB3 GLN 30 HB1 GLN 30 37.165 2.000 -2.891
226 HG2 GLN 30 HG2 GLN 30 39.513 1.272 -3.058
227 HG3 GLN 30 HG1 GLN 30 39.962 2.417 -1.794
228 HE21 GLN 30 HE21 GLN 30 40.662 0.063 -0.915
229 HE22 GLN 30 HE22 GLN 30 39.510 -0.682 0.084
230 H ILE 31 HN ILE 31 37.060 5.505 -2.376
231 HA ILE 31 HA ILE 31 34.584 5.330 -3.671
232 HB ILE 31 HB ILE 31 35.865 7.590 -2.123
233 HG12 ILE 31 HG12 ILE 31 33.673 5.675 -1.296
234 HG13 ILE 31 HG11 ILE 31 35.378 5.317 -1.026
235 HG21 ILE 31 HG21 ILE 31 33.226 8.004 -1.842
236 HG22 ILE 31 HG22 ILE 31 33.217 7.320 -3.466
237 HG23 ILE 31 HG23 ILE 31 34.159 8.771 -3.127
238 HD11 ILE 31 HD11 ILE 31 35.546 6.822 0.668
239 HD12 ILE 31 HD12 ILE 31 33.784 6.734 0.713
240 HD13 ILE 31 HD13 ILE 31 34.580 8.024 -0.189
241 H TYR 32 HN TYR 32 37.322 7.611 -4.364
242 HA TYR 32 HA TYR 32 35.889 8.995 -6.400
243 HB2 TYR 32 HB2 TYR 32 37.885 9.981 -5.413
244 HB3 TYR 32 HB1 TYR 32 38.871 8.649 -6.016
245 HD1 TYR 32 HD1 TYR 32 36.689 11.482 -7.088
246 HD2 TYR 32 HD2 TYR 32 39.688 8.627 -8.237
247 HE1 TYR 32 HE1 TYR 32 36.979 12.653 -9.258
248 HE2 TYR 32 HE2 TYR 32 39.975 9.798 -10.400
249 HH TYR 32 HH TYR 32 39.517 12.390 -11.155
250 H LEU 33 HN LEU 33 38.235 6.322 -6.527
251 HA LEU 33 HA LEU 33 38.194 5.999 -9.327
252 HB2 LEU 33 HB2 LEU 33 38.854 4.072 -7.093
253 HB3 LEU 33 HB1 LEU 33 39.067 3.678 -8.797
254 HG LEU 33 HG LEU 33 40.297 6.105 -7.457
255 HD11 LEU 33 HD11 LEU 33 41.609 3.462 -8.152
256 HD12 LEU 33 HD12 LEU 33 41.184 3.978 -6.520
257 HD13 LEU 33 HD13 LEU 33 42.398 4.869 -7.436
258 HD21 LEU 33 HD21 LEU 33 40.336 4.948 -10.211
259 HD22 LEU 33 HD22 LEU 33 41.843 5.623 -9.596
260 HD23 LEU 33 HD23 LEU 33 40.401 6.631 -9.697
261 H SER 34 HN SER 34 36.202 4.472 -6.779
262 HA SER 34 HA SER 34 34.852 2.661 -8.465
263 HB2 SER 34 HB2 SER 34 34.726 2.530 -6.016
264 HB3 SER 34 HB1 SER 34 33.832 4.047 -5.974
265 HG SER 34 HG SER 34 32.340 2.408 -5.968
266 H GLY 35 HN GLY 35 34.316 6.047 -7.708
267 HA2 GLY 35 HA2 GLY 35 31.801 6.281 -9.059
268 HA3 GLY 35 HA1 GLY 35 32.830 7.609 -8.531
269 H LEU 36 HN LEU 36 35.156 6.778 -9.887
270 HA LEU 36 HA LEU 36 34.887 8.077 -12.343
271 HB2 LEU 36 HB2 LEU 36 37.003 7.892 -11.080
272 HB3 LEU 36 HB1 LEU 36 37.051 6.166 -11.426
273 HG LEU 36 HG LEU 36 37.134 6.663 -13.853
274 HD11 LEU 36 HD11 LEU 36 36.133 8.696 -14.277
275 HD12 LEU 36 HD12 LEU 36 37.815 9.222 -14.219
276 HD13 LEU 36 HD13 LEU 36 36.776 9.438 -12.812
277 HD21 LEU 36 HD21 LEU 36 39.251 6.370 -12.711
278 HD22 LEU 36 HD22 LEU 36 39.214 8.033 -12.124
279 HD23 LEU 36 HD23 LEU 36 39.425 7.709 -13.845
280 H HIS 37 HN HIS 37 34.840 4.651 -11.505
281 HA HIS 37 HA HIS 37 34.788 3.731 -14.238
282 HB2 HIS 37 HB2 HIS 37 34.645 2.506 -11.538
283 HB3 HIS 37 HB1 HIS 37 33.878 1.610 -12.850
284 HD2 HIS 37 HD2 HIS 37 35.665 0.361 -14.601
285 HE1 HIS 37 HE1 HIS 37 39.205 2.033 -13.022
286 HE2 HIS 37 HE2 HIS 37 38.276 0.353 -14.685
287 H SER 38 HN SER 38 32.501 4.989 -12.048
288 HA SER 38 HA SER 38 30.157 3.640 -12.968
289 HB2 SER 38 HB2 SER 38 30.250 6.418 -11.795
290 HB3 SER 38 HB1 SER 38 28.932 5.256 -11.724
291 HG SER 38 HG SER 38 30.995 4.030 -10.716
292 H TRP 39 HN TRP 39 32.244 5.774 -14.533
293 HA TRP 39 HA TRP 39 30.320 7.325 -15.967
294 HB2 TRP 39 HB2 TRP 39 32.893 7.715 -15.583
295 HB3 TRP 39 HB1 TRP 39 33.049 6.755 -17.054
296 HD1 TRP 39 HD1 TRP 39 31.425 9.996 -15.763
297 HE1 TRP 39 HE1 TRP 39 31.015 11.562 -17.772
298 HE3 TRP 39 HE3 TRP 39 32.765 6.892 -19.601
299 HZ2 TRP 39 HZ2 TRP 39 31.231 11.507 -20.624
300 HZ3 TRP 39 HZ3 TRP 39 32.652 7.685 -21.951
301 HH2 TRP 39 HH2 TRP 39 31.886 9.979 -22.465
302 H LYS 40 HN LYS 40 31.916 4.232 -16.496
303 HA LYS 40 HA LYS 40 31.588 2.563 -18.039
304 HB2 LYS 40 HB2 LYS 40 29.233 2.814 -17.207
305 HB3 LYS 40 HB1 LYS 40 28.929 3.913 -18.552
306 HG2 LYS 40 HG2 LYS 40 29.512 2.136 -20.157
307 HG3 LYS 40 HG1 LYS 40 29.864 1.036 -18.824
308 HD2 LYS 40 HD2 LYS 40 27.529 1.208 -18.050
309 HD3 LYS 40 HD1 LYS 40 27.171 2.323 -19.367
310 HE2 LYS 40 HE2 LYS 40 27.746 0.567 -21.010
311 HE3 LYS 40 HE1 LYS 40 28.088 -0.553 -19.690
312 HZ1 LYS 40 HZ1 LYS 40 25.649 0.288 -19.024
313 HZ2 LYS 40 HZ2 LYS 40 25.936 -1.090 -19.977
314 HZ3 LYS 40 HZ3 LYS 40 25.540 0.387 -20.714
315 H LYS 41 HN LYS 41 33.319 3.803 -19.223
316 HA LYS 41 HA LYS 41 32.616 5.433 -21.459
317 HB2 LYS 41 HB2 LYS 41 34.848 5.442 -20.301
318 HB3 LYS 41 HB1 LYS 41 35.172 3.873 -21.039
319 HG2 LYS 41 HG2 LYS 41 34.896 4.851 -23.278
320 HG3 LYS 41 HG1 LYS 41 34.532 6.420 -22.557
321 HD2 LYS 41 HD2 LYS 41 36.765 6.433 -21.486
322 HD3 LYS 41 HD1 LYS 41 37.128 4.886 -22.256
323 HE2 LYS 41 HE2 LYS 41 36.850 5.893 -24.470
324 HE3 LYS 41 HE1 LYS 41 36.425 7.438 -23.730
325 HZ1 LYS 41 HZ1 LYS 41 38.605 7.833 -23.899
326 HZ2 LYS 41 HZ2 LYS 41 39.011 6.190 -24.045
327 HZ3 LYS 41 HZ3 LYS 41 38.735 6.867 -22.511
328 H LYS 42 HN LYS 42 32.194 4.887 -23.536
329 HA LYS 42 HA LYS 42 31.239 2.383 -24.242
330 HB2 LYS 42 HB2 LYS 42 32.420 4.566 -25.974
331 HB3 LYS 42 HB1 LYS 42 31.608 3.141 -26.620
332 HG2 LYS 42 HG2 LYS 42 29.556 3.725 -25.410
333 HG3 LYS 42 HG1 LYS 42 30.357 5.124 -24.694
334 HD2 LYS 42 HD2 LYS 42 30.649 6.141 -26.886
335 HD3 LYS 42 HD1 LYS 42 29.998 4.704 -27.677
336 HE2 LYS 42 HE2 LYS 42 28.258 6.426 -27.518
337 HE3 LYS 42 HE1 LYS 42 27.842 5.055 -26.490
338 HZ1 LYS 42 HZ1 LYS 42 28.159 7.719 -25.742
339 HZ2 LYS 42 HZ2 LYS 42 29.432 6.849 -25.028
340 HZ3 LYS 42 HZ3 LYS 42 27.822 6.389 -24.745
Start of MODEL 19
1 H1 MET 1 HT1 MET 1 43.183 -16.660 12.085
2 H2 MET 1 HT2 MET 1 44.715 -17.195 11.574
3 H3 MET 1 HT3 MET 1 44.087 -17.705 13.068
4 HA MET 1 HA MET 1 43.866 -19.489 11.508
5 HB2 MET 1 HB2 MET 1 41.294 -18.025 12.136
6 HB3 MET 1 HB1 MET 1 41.361 -19.683 11.543
7 HG2 MET 1 HG2 MET 1 42.763 -18.740 14.065
8 HG3 MET 1 HG1 MET 1 41.183 -19.520 14.058
9 HE1 MET 1 HE1 MET 1 41.707 -22.191 11.760
10 HE2 MET 1 HE2 MET 1 40.625 -21.417 12.911
11 HE3 MET 1 HE3 MET 1 41.432 -22.919 13.346
12 H ALA 2 HN ALA 2 41.751 -16.804 10.419
13 HA ALA 2 HA ALA 2 41.560 -17.814 7.756
14 HB1 ALA 2 HB1 ALA 2 40.895 -15.080 8.875
15 HB2 ALA 2 HB2 ALA 2 39.780 -16.434 8.684
16 HB3 ALA 2 HB3 ALA 2 40.461 -15.647 7.258
17 H GLU 3 HN GLU 3 42.625 -17.309 5.945
18 HA GLU 3 HA GLU 3 45.260 -16.268 6.143
19 HB2 GLU 3 HB2 GLU 3 43.510 -16.932 3.764
20 HB3 GLU 3 HB1 GLU 3 45.203 -16.457 3.631
21 HG2 GLU 3 HG2 GLU 3 45.318 -18.785 3.656
22 HG3 GLU 3 HG1 GLU 3 45.637 -18.372 5.334
23 H ALA 4 HN ALA 4 42.187 -14.955 5.076
24 HA ALA 4 HA ALA 4 43.213 -12.529 3.979
25 HB1 ALA 4 HB1 ALA 4 41.072 -12.713 3.245
26 HB2 ALA 4 HB2 ALA 4 40.675 -11.892 4.755
27 HB3 ALA 4 HB3 ALA 4 40.570 -13.651 4.651
28 H HIS 5 HN HIS 5 43.228 -10.445 4.893
29 HA HIS 5 HA HIS 5 43.343 -10.440 7.852
30 HB2 HIS 5 HB2 HIS 5 44.721 -8.568 5.909
31 HB3 HIS 5 HB1 HIS 5 44.796 -8.470 7.666
32 HD2 HIS 5 HD2 HIS 5 46.540 -10.385 4.806
33 HE1 HIS 5 HE1 HIS 5 47.795 -12.152 8.430
34 HE2 HIS 5 HE2 HIS 5 48.238 -12.020 5.930
35 H GLN 6 HN GLN 6 41.983 -9.217 8.977
36 HA GLN 6 HA GLN 6 39.908 -7.789 7.605
37 HB2 GLN 6 HB2 GLN 6 40.576 -8.041 10.541
38 HB3 GLN 6 HB1 GLN 6 39.177 -7.163 9.923
39 HG2 GLN 6 HG2 GLN 6 38.336 -9.176 8.834
40 HG3 GLN 6 HG1 GLN 6 39.772 -10.073 9.312
41 HE21 GLN 6 HE21 GLN 6 37.703 -11.373 10.224
42 HE22 GLN 6 HE22 GLN 6 37.327 -11.031 11.842
43 H ALA 7 HN ALA 7 39.599 -5.647 7.361
44 HA ALA 7 HA ALA 7 41.585 -3.793 8.487
45 HB1 ALA 7 HB1 ALA 7 40.755 -3.594 5.596
46 HB2 ALA 7 HB2 ALA 7 42.142 -4.570 6.080
47 HB3 ALA 7 HB3 ALA 7 42.133 -2.840 6.405
48 H VAL 8 HN VAL 8 40.863 -1.674 8.719
49 HA VAL 8 HA VAL 8 37.964 -1.241 8.291
50 HB VAL 8 HB VAL 8 39.711 -0.454 10.631
51 HG11 VAL 8 HG11 VAL 8 38.472 1.453 10.599
52 HG12 VAL 8 HG12 VAL 8 37.221 0.421 11.289
53 HG13 VAL 8 HG13 VAL 8 37.228 0.754 9.559
54 HG21 VAL 8 HG21 VAL 8 38.082 -2.684 10.145
55 HG22 VAL 8 HG22 VAL 8 37.110 -1.642 11.182
56 HG23 VAL 8 HG23 VAL 8 38.708 -2.163 11.712
57 H ALA 9 HN ALA 9 37.474 0.575 7.143
58 HA ALA 9 HA ALA 9 39.629 2.574 6.768
59 HB1 ALA 9 HB1 ALA 9 39.094 1.175 4.757
60 HB2 ALA 9 HB2 ALA 9 38.880 2.909 4.517
61 HB3 ALA 9 HB3 ALA 9 37.477 1.873 4.774
62 H PHE 10 HN PHE 10 36.359 2.009 7.691
63 HA PHE 10 HA PHE 10 36.000 4.901 8.039
64 HB2 PHE 10 HB2 PHE 10 33.453 4.212 7.592
65 HB3 PHE 10 HB1 PHE 10 34.523 4.749 6.318
66 HD1 PHE 10 HD1 PHE 10 34.799 1.356 7.884
67 HD2 PHE 10 HD2 PHE 10 33.425 3.658 4.536
68 HE1 PHE 10 HE1 PHE 10 34.479 -0.723 6.603
69 HE2 PHE 10 HE2 PHE 10 33.080 1.568 3.258
70 HZ PHE 10 HZ PHE 10 33.609 -0.622 4.286
71 H GLN 11 HN GLN 11 35.358 5.496 10.060
72 HA GLN 11 HA GLN 11 34.041 3.429 11.746
73 HB2 GLN 11 HB2 GLN 11 36.344 5.206 12.555
74 HB3 GLN 11 HB1 GLN 11 35.369 4.279 13.692
75 HG2 GLN 11 HG2 GLN 11 36.000 2.195 12.503
76 HG3 GLN 11 HG1 GLN 11 37.005 3.138 11.404
77 HE21 GLN 11 HE21 GLN 11 38.690 1.546 12.479
78 HE22 GLN 11 HE22 GLN 11 39.451 2.113 13.888
79 H PHE 12 HN PHE 12 32.356 4.099 12.935
80 HA PHE 12 HA PHE 12 31.868 7.011 13.094
81 HB2 PHE 12 HB2 PHE 12 30.300 6.293 11.510
82 HB3 PHE 12 HB1 PHE 12 30.064 4.741 12.297
83 HD1 PHE 12 HD1 PHE 12 30.038 7.994 14.130
84 HD2 PHE 12 HD2 PHE 12 27.689 4.837 12.397
85 HE1 PHE 12 HE1 PHE 12 28.040 8.810 15.338
86 HE2 PHE 12 HE2 PHE 12 25.693 5.669 13.589
87 HZ PHE 12 HZ PHE 12 25.864 7.657 15.056
88 H THR 13 HN THR 13 31.766 7.659 15.179
89 HA THR 13 HA THR 13 30.876 5.710 17.237
90 HB THR 13 HB THR 13 32.523 7.309 18.633
91 HG1 THR 13 HG1 THR 13 33.320 7.314 15.937
92 HG21 THR 13 HG21 THR 13 34.252 5.545 18.318
93 HG22 THR 13 HG22 THR 13 33.325 4.912 16.959
94 HG23 THR 13 HG23 THR 13 32.644 4.861 18.584
95 H VAL 14 HN VAL 14 29.251 6.350 18.510
96 HA VAL 14 HA VAL 14 28.425 9.162 18.383
97 HB VAL 14 HB VAL 14 26.743 7.454 17.867
98 HG11 VAL 14 HG11 VAL 14 26.282 5.669 19.206
99 HG12 VAL 14 HG12 VAL 14 26.557 6.577 20.691
100 HG13 VAL 14 HG13 VAL 14 27.924 5.942 19.780
101 HG21 VAL 14 HG21 VAL 14 26.199 8.830 20.521
102 HG22 VAL 14 HG22 VAL 14 24.997 8.321 19.336
103 HG23 VAL 14 HG23 VAL 14 26.117 9.628 18.951
104 H THR 15 HN THR 15 28.762 10.544 20.029
105 HA THR 15 HA THR 15 29.315 9.391 22.699
106 HB THR 15 HB THR 15 31.358 10.341 22.532
107 HG1 THR 15 HG1 THR 15 31.378 12.463 23.071
108 HG21 THR 15 HG21 THR 15 31.290 10.384 20.129
109 HG22 THR 15 HG22 THR 15 31.872 11.966 20.652
110 HG23 THR 15 HG23 THR 15 30.199 11.772 20.131
111 HA PRO 16 HA PRO 16 26.070 11.908 24.386
112 HB2 PRO 16 HB2 PRO 16 28.054 13.245 26.168
113 HB3 PRO 16 HB1 PRO 16 26.551 12.405 26.592
114 HG2 PRO 16 HG2 PRO 16 28.982 11.331 27.007
115 HG3 PRO 16 HG1 PRO 16 27.546 10.362 26.641
116 HD2 PRO 16 HD2 PRO 16 29.884 10.957 24.912
117 HD3 PRO 16 HD1 PRO 16 28.739 9.602 24.851
118 H ASP 17 HN ASP 17 29.185 13.525 23.696
119 HA ASP 17 HA ASP 17 28.037 16.133 23.455
120 HB2 ASP 17 HB2 ASP 17 30.718 14.943 22.793
121 HB3 ASP 17 HB1 ASP 17 30.330 16.617 22.393
122 H GLY 18 HN GLY 18 28.301 13.446 21.184
123 HA2 GLY 18 HA2 GLY 18 26.694 14.547 19.272
124 HA3 GLY 18 HA1 GLY 18 28.288 15.180 18.864
125 H ILE 19 HN ILE 19 28.744 14.057 17.024
126 HA ILE 19 HA ILE 19 29.018 11.141 17.295
127 HB ILE 19 HB ILE 19 28.350 11.056 14.848
128 HG12 ILE 19 HG12 ILE 19 27.224 13.797 15.470
129 HG13 ILE 19 HG11 ILE 19 28.690 13.532 14.521
130 HG21 ILE 19 HG21 ILE 19 26.183 12.080 16.697
131 HG22 ILE 19 HG22 ILE 19 26.845 10.450 16.803
132 HG23 ILE 19 HG23 ILE 19 25.988 10.961 15.349
133 HD11 ILE 19 HD11 ILE 19 26.888 13.760 12.950
134 HD12 ILE 19 HD12 ILE 19 25.880 12.629 13.856
135 HD13 ILE 19 HD13 ILE 19 27.308 12.048 12.996
136 H ASP 20 HN ASP 20 30.735 10.300 16.109
137 HA ASP 20 HA ASP 20 32.607 12.263 14.905
138 HB2 ASP 20 HB2 ASP 20 33.324 11.473 17.194
139 HB3 ASP 20 HB1 ASP 20 33.479 9.863 16.502
140 H LEU 21 HN LEU 21 33.614 11.636 13.016
141 HA LEU 21 HA LEU 21 33.156 8.878 12.117
142 HB2 LEU 21 HB2 LEU 21 32.611 11.343 10.438
143 HB3 LEU 21 HB1 LEU 21 32.458 9.671 9.909
144 HG LEU 21 HG LEU 21 30.867 9.617 12.108
145 HD11 LEU 21 HD11 LEU 21 31.337 12.125 12.329
146 HD12 LEU 21 HD12 LEU 21 29.637 11.648 12.323
147 HD13 LEU 21 HD13 LEU 21 30.369 12.328 10.870
148 HD21 LEU 21 HD21 LEU 21 30.202 10.440 9.264
149 HD22 LEU 21 HD22 LEU 21 28.979 9.979 10.450
150 HD23 LEU 21 HD23 LEU 21 30.194 8.807 9.932
151 H ARG 22 HN ARG 22 35.008 8.056 11.554
152 HA ARG 22 HA ARG 22 37.159 9.848 10.574
153 HB2 ARG 22 HB2 ARG 22 37.311 7.258 12.109
154 HB3 ARG 22 HB1 ARG 22 38.699 7.959 11.290
155 HG2 ARG 22 HG2 ARG 22 38.461 10.019 12.611
156 HG3 ARG 22 HG1 ARG 22 37.037 9.353 13.419
157 HD2 ARG 22 HD2 ARG 22 38.419 7.504 14.299
158 HD3 ARG 22 HD1 ARG 22 39.833 8.192 13.502
159 HE ARG 22 HE ARG 22 39.909 9.859 15.134
160 HH11 ARG 22 HH21 ARG 22 37.000 7.992 15.345
161 HH12 ARG 22 HH22 ARG 22 36.529 8.652 16.875
162 HH21 ARG 22 HH11 ARG 22 39.281 10.737 17.123
163 HH22 ARG 22 HH12 ARG 22 37.809 10.214 17.874
164 H LEU 23 HN LEU 23 38.155 9.425 8.647
165 HA LEU 23 HA LEU 23 37.395 6.941 7.263
166 HB2 LEU 23 HB2 LEU 23 37.307 9.743 6.095
167 HB3 LEU 23 HB1 LEU 23 37.102 8.260 5.176
168 HG LEU 23 HG LEU 23 35.318 9.138 7.472
169 HD11 LEU 23 HD11 LEU 23 33.663 9.457 5.545
170 HD12 LEU 23 HD12 LEU 23 35.059 9.395 4.472
171 HD13 LEU 23 HD13 LEU 23 34.939 10.662 5.693
172 HD21 LEU 23 HD21 LEU 23 35.549 6.695 5.832
173 HD22 LEU 23 HD22 LEU 23 33.911 7.343 5.944
174 HD23 LEU 23 HD23 LEU 23 34.796 6.921 7.409
175 H SER 24 HN SER 24 39.090 6.035 6.300
176 HA SER 24 HA SER 24 41.722 7.195 6.538
177 HB2 SER 24 HB2 SER 24 42.530 5.083 6.049
178 HB3 SER 24 HB1 SER 24 40.956 4.682 6.721
179 HG SER 24 HG SER 24 40.158 4.531 4.598
180 H HIS 25 HN HIS 25 43.085 7.789 4.909
181 HA HIS 25 HA HIS 25 42.051 9.140 2.686
182 HB2 HIS 25 HB2 HIS 25 44.817 8.098 3.306
183 HB3 HIS 25 HB1 HIS 25 44.469 9.080 1.888
184 HD2 HIS 25 HD2 HIS 25 43.900 11.827 2.465
185 HE1 HIS 25 HE1 HIS 25 44.765 11.559 6.589
186 HE2 HIS 25 HE2 HIS 25 44.287 13.160 4.678
187 H GLU 26 HN GLU 26 42.999 5.862 3.189
188 HA GLU 26 HA GLU 26 43.203 5.046 0.471
189 HB2 GLU 26 HB2 GLU 26 42.624 3.490 3.000
190 HB3 GLU 26 HB1 GLU 26 42.856 2.738 1.421
191 HG2 GLU 26 HG2 GLU 26 45.102 3.745 1.264
192 HG3 GLU 26 HG1 GLU 26 44.874 4.500 2.845
193 H ALA 27 HN ALA 27 40.523 5.288 2.762
194 HA ALA 27 HA ALA 27 38.597 3.876 1.251
195 HB1 ALA 27 HB1 ALA 27 37.360 4.299 3.075
196 HB2 ALA 27 HB2 ALA 27 37.313 6.010 2.648
197 HB3 ALA 27 HB3 ALA 27 38.609 5.393 3.670
198 H LEU 28 HN LEU 28 39.784 7.150 1.157
199 HA LEU 28 HA LEU 28 37.791 8.230 -0.583
200 HB2 LEU 28 HB2 LEU 28 40.628 9.098 0.008
201 HB3 LEU 28 HB1 LEU 28 39.520 10.025 -1.002
202 HG LEU 28 HG LEU 28 38.852 9.171 1.833
203 HD11 LEU 28 HD11 LEU 28 39.255 11.950 1.733
204 HD12 LEU 28 HD12 LEU 28 40.642 11.247 0.902
205 HD13 LEU 28 HD13 LEU 28 40.263 10.763 2.557
206 HD21 LEU 28 HD21 LEU 28 37.385 10.496 -0.306
207 HD22 LEU 28 HD22 LEU 28 37.538 11.558 1.091
208 HD23 LEU 28 HD23 LEU 28 36.806 9.963 1.273
209 H ARG 29 HN ARG 29 40.902 6.681 -1.100
210 HA ARG 29 HA ARG 29 41.125 7.138 -3.854
211 HB2 ARG 29 HB2 ARG 29 42.969 6.265 -2.446
212 HB3 ARG 29 HB1 ARG 29 42.102 4.740 -2.277
213 HG2 ARG 29 HG2 ARG 29 42.182 4.450 -4.753
214 HG3 ARG 29 HG1 ARG 29 43.116 5.939 -4.880
215 HD2 ARG 29 HD2 ARG 29 43.949 3.547 -3.229
216 HD3 ARG 29 HD1 ARG 29 44.517 3.857 -4.867
217 HE ARG 29 HE ARG 29 45.340 5.250 -2.461
218 HH11 ARG 29 HH21 ARG 29 44.952 5.355 -5.888
219 HH12 ARG 29 HH22 ARG 29 46.228 6.497 -6.145
220 HH21 ARG 29 HH11 ARG 29 47.043 6.735 -2.784
221 HH22 ARG 29 HH12 ARG 29 47.414 7.276 -4.384
222 H GLN 30 HN GLN 30 39.501 4.490 -2.104
223 HA GLN 30 HA GLN 30 38.853 3.042 -4.473
224 HB2 GLN 30 HB2 GLN 30 37.635 2.999 -1.705
225 HB3 GLN 30 HB1 GLN 30 37.182 1.889 -3.000
226 HG2 GLN 30 HG2 GLN 30 39.458 1.060 -3.151
227 HG3 GLN 30 HG1 GLN 30 40.000 2.245 -1.960
228 HE21 GLN 30 HE21 GLN 30 40.652 -0.083 -0.981
229 HE22 GLN 30 HE22 GLN 30 39.505 -0.744 0.085
230 H ILE 31 HN ILE 31 37.139 5.386 -2.481
231 HA ILE 31 HA ILE 31 34.681 5.225 -3.816
232 HB ILE 31 HB ILE 31 35.955 7.484 -2.269
233 HG12 ILE 31 HG12 ILE 31 33.677 5.635 -1.510
234 HG13 ILE 31 HG11 ILE 31 35.360 5.256 -1.143
235 HG21 ILE 31 HG21 ILE 31 33.367 7.262 -3.744
236 HG22 ILE 31 HG22 ILE 31 34.361 8.684 -3.431
237 HG23 ILE 31 HG23 ILE 31 33.325 8.034 -2.159
238 HD11 ILE 31 HD11 ILE 31 33.765 6.640 0.548
239 HD12 ILE 31 HD12 ILE 31 34.433 7.980 -0.386
240 HD13 ILE 31 HD13 ILE 31 35.515 6.877 0.468
241 H TYR 32 HN TYR 32 37.419 7.498 -4.440
242 HA TYR 32 HA TYR 32 36.080 8.958 -6.450
243 HB2 TYR 32 HB2 TYR 32 38.112 9.798 -5.451
244 HB3 TYR 32 HB1 TYR 32 39.023 8.405 -6.034
245 HD1 TYR 32 HD1 TYR 32 36.923 11.267 -7.254
246 HD2 TYR 32 HD2 TYR 32 40.081 8.485 -8.142
247 HE1 TYR 32 HE1 TYR 32 37.390 12.466 -9.379
248 HE2 TYR 32 HE2 TYR 32 40.550 9.696 -10.257
249 HH TYR 32 HH TYR 32 40.105 11.497 -11.474
250 H LEU 33 HN LEU 33 38.308 6.168 -6.739
251 HA LEU 33 HA LEU 33 38.145 6.004 -9.554
252 HB2 LEU 33 HB2 LEU 33 38.870 3.945 -7.474
253 HB3 LEU 33 HB1 LEU 33 38.952 3.629 -9.204
254 HG LEU 33 HG LEU 33 40.351 5.969 -7.874
255 HD11 LEU 33 HD11 LEU 33 41.052 3.143 -7.920
256 HD12 LEU 33 HD12 LEU 33 41.819 4.473 -7.053
257 HD13 LEU 33 HD13 LEU 33 42.275 4.127 -8.719
258 HD21 LEU 33 HD21 LEU 33 40.627 6.589 -10.029
259 HD22 LEU 33 HD22 LEU 33 39.983 5.068 -10.633
260 HD23 LEU 33 HD23 LEU 33 41.689 5.194 -10.202
261 H SER 34 HN SER 34 36.205 4.395 -7.023
262 HA SER 34 HA SER 34 34.776 2.648 -8.695
263 HB2 SER 34 HB2 SER 34 34.674 2.548 -6.243
264 HB3 SER 34 HB1 SER 34 33.846 4.099 -6.209
265 HG SER 34 HG SER 34 32.176 2.770 -6.251
266 H GLY 35 HN GLY 35 34.304 6.033 -7.894
267 HA2 GLY 35 HA2 GLY 35 31.796 6.348 -9.222
268 HA3 GLY 35 HA1 GLY 35 32.873 7.645 -8.706
269 H LEU 36 HN LEU 36 35.159 6.799 -10.117
270 HA LEU 36 HA LEU 36 34.800 8.102 -12.561
271 HB2 LEU 36 HB2 LEU 36 36.979 7.871 -11.399
272 HB3 LEU 36 HB1 LEU 36 36.992 6.161 -11.826
273 HG LEU 36 HG LEU 36 36.908 6.772 -14.238
274 HD11 LEU 36 HD11 LEU 36 35.956 8.848 -14.534
275 HD12 LEU 36 HD12 LEU 36 37.653 9.324 -14.531
276 HD13 LEU 36 HD13 LEU 36 36.689 9.511 -13.069
277 HD21 LEU 36 HD21 LEU 36 39.072 6.392 -13.138
278 HD22 LEU 36 HD22 LEU 36 39.142 8.092 -12.670
279 HD23 LEU 36 HD23 LEU 36 39.214 7.643 -14.373
280 H HIS 37 HN HIS 37 34.772 4.663 -11.737
281 HA HIS 37 HA HIS 37 34.671 3.776 -14.471
282 HB2 HIS 37 HB2 HIS 37 34.137 2.331 -11.856
283 HB3 HIS 37 HB1 HIS 37 34.095 1.549 -13.438
284 HD2 HIS 37 HD2 HIS 37 36.685 2.306 -10.756
285 HE1 HIS 37 HE1 HIS 37 38.862 1.900 -14.348
286 HE2 HIS 37 HE2 HIS 37 39.052 2.028 -11.822
287 H SER 38 HN SER 38 32.419 5.072 -12.301
288 HA SER 38 HA SER 38 30.060 3.738 -13.185
289 HB2 SER 38 HB2 SER 38 30.228 6.536 -12.073
290 HB3 SER 38 HB1 SER 38 28.882 5.405 -11.958
291 HG SER 38 HG SER 38 31.320 4.528 -10.971
292 H TRP 39 HN TRP 39 32.181 5.785 -14.857
293 HA TRP 39 HA TRP 39 30.104 7.185 -16.323
294 HB2 TRP 39 HB2 TRP 39 33.109 7.158 -16.460
295 HB3 TRP 39 HB1 TRP 39 32.146 7.863 -17.766
296 HD1 TRP 39 HD1 TRP 39 33.047 8.367 -14.093
297 HE1 TRP 39 HE1 TRP 39 32.256 10.715 -13.367
298 HE3 TRP 39 HE3 TRP 39 30.414 9.744 -18.250
299 HZ2 TRP 39 HZ2 TRP 39 30.733 12.889 -14.416
300 HZ3 TRP 39 HZ3 TRP 39 29.306 11.961 -18.367
301 HH2 TRP 39 HH2 TRP 39 29.461 13.538 -16.450
302 H LYS 40 HN LYS 40 31.707 4.190 -16.454
303 HA LYS 40 HA LYS 40 31.673 2.464 -17.968
304 HB2 LYS 40 HB2 LYS 40 29.213 2.875 -17.682
305 HB3 LYS 40 HB1 LYS 40 29.274 3.921 -19.100
306 HG2 LYS 40 HG2 LYS 40 30.100 2.046 -20.471
307 HG3 LYS 40 HG1 LYS 40 30.065 0.991 -19.058
308 HD2 LYS 40 HD2 LYS 40 27.626 1.314 -18.863
309 HD3 LYS 40 HD1 LYS 40 27.657 2.380 -20.268
310 HE2 LYS 40 HE2 LYS 40 26.974 0.148 -20.979
311 HE3 LYS 40 HE1 LYS 40 28.568 0.507 -21.635
312 HZ1 LYS 40 HZ1 LYS 40 27.811 -1.607 -19.969
313 HZ2 LYS 40 HZ2 LYS 40 28.904 -0.629 -19.110
314 HZ3 LYS 40 HZ3 LYS 40 29.340 -1.274 -20.622
315 H LYS 41 HN LYS 41 33.678 3.464 -18.802
316 HA LYS 41 HA LYS 41 33.659 5.120 -21.122
317 HB2 LYS 41 HB2 LYS 41 35.584 4.926 -19.561
318 HB3 LYS 41 HB1 LYS 41 35.851 3.279 -20.136
319 HG2 LYS 41 HG2 LYS 41 36.203 4.114 -22.424
320 HG3 LYS 41 HG1 LYS 41 35.899 5.766 -21.880
321 HD2 LYS 41 HD2 LYS 41 37.829 5.586 -20.328
322 HD3 LYS 41 HD1 LYS 41 38.139 3.961 -20.937
323 HE2 LYS 41 HE2 LYS 41 38.490 4.846 -23.199
324 HE3 LYS 41 HE1 LYS 41 38.141 6.477 -22.627
325 HZ1 LYS 41 HZ1 LYS 41 40.469 6.270 -22.640
326 HZ2 LYS 41 HZ2 LYS 41 40.426 4.746 -21.887
327 HZ3 LYS 41 HZ3 LYS 41 40.013 6.140 -21.012
328 H LYS 42 HN LYS 42 33.540 4.612 -23.243
329 HA LYS 42 HA LYS 42 34.054 1.885 -24.132
330 HB2 LYS 42 HB2 LYS 42 31.666 1.857 -23.509
331 HB3 LYS 42 HB1 LYS 42 31.376 3.206 -24.604
332 HG2 LYS 42 HG2 LYS 42 32.133 1.854 -26.508
333 HG3 LYS 42 HG1 LYS 42 32.489 0.508 -25.424
334 HD2 LYS 42 HD2 LYS 42 30.120 0.400 -24.770
335 HD3 LYS 42 HD1 LYS 42 29.759 1.750 -25.843
336 HE2 LYS 42 HE2 LYS 42 29.211 -0.359 -26.951
337 HE3 LYS 42 HE1 LYS 42 30.563 0.414 -27.775
338 HZ1 LYS 42 HZ1 LYS 42 32.077 -1.088 -26.847
339 HZ2 LYS 42 HZ2 LYS 42 30.745 -2.062 -27.251
340 HZ3 LYS 42 HZ3 LYS 42 30.998 -1.593 -25.642
Start of MODEL 20
1 H1 MET 1 HT1 MET 1 51.202 -3.815 22.739
2 H2 MET 1 HT2 MET 1 52.236 -2.545 23.187
3 H3 MET 1 HT3 MET 1 51.606 -3.587 24.371
4 HA MET 1 HA MET 1 54.041 -3.845 23.333
5 HB2 MET 1 HB2 MET 1 52.126 -5.987 24.304
6 HB3 MET 1 HB1 MET 1 53.862 -6.243 24.108
7 HG2 MET 1 HG2 MET 1 54.291 -4.351 25.661
8 HG3 MET 1 HG1 MET 1 52.554 -4.169 25.895
9 HE1 MET 1 HE1 MET 1 51.354 -7.037 27.868
10 HE2 MET 1 HE2 MET 1 51.445 -7.297 26.130
11 HE3 MET 1 HE3 MET 1 51.039 -5.701 26.752
12 H ALA 2 HN ALA 2 51.764 -6.420 22.456
13 HA ALA 2 HA ALA 2 52.611 -6.177 19.635
14 HB1 ALA 2 HB1 ALA 2 54.009 -7.927 20.339
15 HB2 ALA 2 HB2 ALA 2 52.610 -8.771 19.674
16 HB3 ALA 2 HB3 ALA 2 52.786 -8.594 21.420
17 H GLU 3 HN GLU 3 50.135 -5.575 21.245
18 HA GLU 3 HA GLU 3 48.131 -7.481 20.631
19 HB2 GLU 3 HB2 GLU 3 47.954 -4.510 21.191
20 HB3 GLU 3 HB1 GLU 3 46.569 -5.597 21.127
21 HG2 GLU 3 HG2 GLU 3 47.043 -5.568 23.414
22 HG3 GLU 3 HG1 GLU 3 47.926 -6.998 22.890
23 H ALA 4 HN ALA 4 46.870 -7.774 18.866
24 HA ALA 4 HA ALA 4 47.664 -6.722 16.352
25 HB1 ALA 4 HB1 ALA 4 45.486 -8.477 17.353
26 HB2 ALA 4 HB2 ALA 4 46.597 -8.715 16.005
27 HB3 ALA 4 HB3 ALA 4 45.195 -7.661 15.817
28 H HIS 5 HN HIS 5 46.743 -5.158 15.049
29 HA HIS 5 HA HIS 5 44.830 -3.339 16.388
30 HB2 HIS 5 HB2 HIS 5 47.005 -2.785 14.361
31 HB3 HIS 5 HB1 HIS 5 45.778 -1.604 14.812
32 HD2 HIS 5 HD2 HIS 5 48.943 -3.327 16.397
33 HE1 HIS 5 HE1 HIS 5 47.633 -0.292 19.025
34 HE2 HIS 5 HE2 HIS 5 49.488 -1.963 18.556
35 H GLN 6 HN GLN 6 42.961 -2.823 15.377
36 HA GLN 6 HA GLN 6 42.510 -3.980 12.685
37 HB2 GLN 6 HB2 GLN 6 40.555 -3.550 14.960
38 HB3 GLN 6 HB1 GLN 6 40.115 -4.103 13.344
39 HG2 GLN 6 HG2 GLN 6 41.566 -6.070 13.602
40 HG3 GLN 6 HG1 GLN 6 42.051 -5.512 15.202
41 HE21 GLN 6 HE21 GLN 6 39.830 -7.503 13.601
42 HE22 GLN 6 HE22 GLN 6 38.685 -7.646 14.846
43 H ALA 7 HN ALA 7 42.032 -2.585 11.114
44 HA ALA 7 HA ALA 7 41.022 0.095 11.850
45 HB1 ALA 7 HB1 ALA 7 42.929 0.973 11.061
46 HB2 ALA 7 HB2 ALA 7 42.449 0.400 9.464
47 HB3 ALA 7 HB3 ALA 7 43.483 -0.598 10.484
48 H VAL 8 HN VAL 8 39.669 1.085 10.323
49 HA VAL 8 HA VAL 8 38.637 -0.696 8.202
50 HB VAL 8 HB VAL 8 36.357 0.061 8.742
51 HG11 VAL 8 HG11 VAL 8 37.522 -0.901 11.339
52 HG12 VAL 8 HG12 VAL 8 37.613 -1.933 9.912
53 HG13 VAL 8 HG13 VAL 8 36.043 -1.411 10.524
54 HG21 VAL 8 HG21 VAL 8 37.885 1.716 10.713
55 HG22 VAL 8 HG22 VAL 8 36.294 1.127 11.187
56 HG23 VAL 8 HG23 VAL 8 36.468 2.141 9.754
57 H ALA 9 HN ALA 9 37.336 0.510 6.567
58 HA ALA 9 HA ALA 9 38.816 2.780 5.623
59 HB1 ALA 9 HB1 ALA 9 36.210 2.428 4.371
60 HB2 ALA 9 HB2 ALA 9 37.112 0.917 4.457
61 HB3 ALA 9 HB3 ALA 9 37.819 2.323 3.660
62 H PHE 10 HN PHE 10 35.691 2.292 7.192
63 HA PHE 10 HA PHE 10 35.638 5.160 7.769
64 HB2 PHE 10 HB2 PHE 10 33.428 5.519 7.077
65 HB3 PHE 10 HB1 PHE 10 34.196 4.662 5.752
66 HD1 PHE 10 HD1 PHE 10 34.046 1.822 7.192
67 HD2 PHE 10 HD2 PHE 10 31.199 4.960 6.483
68 HE1 PHE 10 HE1 PHE 10 32.209 0.179 7.286
69 HE2 PHE 10 HE2 PHE 10 29.363 3.304 6.574
70 HZ PHE 10 HZ PHE 10 29.866 0.916 6.973
71 H GLN 11 HN GLN 11 35.031 5.698 9.787
72 HA GLN 11 HA GLN 11 33.700 3.624 11.432
73 HB2 GLN 11 HB2 GLN 11 36.125 3.694 11.950
74 HB3 GLN 11 HB1 GLN 11 35.957 5.395 12.370
75 HG2 GLN 11 HG2 GLN 11 34.399 4.861 14.157
76 HG3 GLN 11 HG1 GLN 11 34.393 3.163 13.686
77 HE21 GLN 11 HE21 GLN 11 35.172 3.932 16.328
78 HE22 GLN 11 HE22 GLN 11 36.831 3.622 16.509
79 H PHE 12 HN PHE 12 32.101 4.281 12.726
80 HA PHE 12 HA PHE 12 31.670 7.186 13.018
81 HB2 PHE 12 HB2 PHE 12 30.097 6.564 11.403
82 HB3 PHE 12 HB1 PHE 12 29.818 4.993 12.134
83 HD1 PHE 12 HD1 PHE 12 29.882 8.162 14.097
84 HD2 PHE 12 HD2 PHE 12 27.438 5.166 12.221
85 HE1 PHE 12 HE1 PHE 12 27.905 9.018 15.310
86 HE2 PHE 12 HE2 PHE 12 25.456 6.034 13.429
87 HZ PHE 12 HZ PHE 12 25.689 7.959 14.972
88 H THR 13 HN THR 13 31.623 7.717 15.153
89 HA THR 13 HA THR 13 30.598 5.706 17.070
90 HB THR 13 HB THR 13 32.336 6.849 18.652
91 HG1 THR 13 HG1 THR 13 33.074 7.634 16.093
92 HG21 THR 13 HG21 THR 13 34.057 5.176 17.836
93 HG22 THR 13 HG22 THR 13 32.977 4.843 16.482
94 HG23 THR 13 HG23 THR 13 32.451 4.508 18.132
95 H VAL 14 HN VAL 14 29.141 6.358 18.496
96 HA VAL 14 HA VAL 14 28.380 9.194 18.475
97 HB VAL 14 HB VAL 14 26.968 6.766 19.609
98 HG11 VAL 14 HG11 VAL 14 25.127 8.804 19.256
99 HG12 VAL 14 HG12 VAL 14 26.545 9.656 19.867
100 HG13 VAL 14 HG13 VAL 14 25.846 8.330 20.796
101 HG21 VAL 14 HG21 VAL 14 25.981 8.387 17.290
102 HG22 VAL 14 HG22 VAL 14 25.722 6.681 17.652
103 HG23 VAL 14 HG23 VAL 14 27.272 7.219 17.006
104 H THR 15 HN THR 15 28.934 10.519 20.143
105 HA THR 15 HA THR 15 29.650 9.233 22.717
106 HB THR 15 HB THR 15 31.631 10.278 22.599
107 HG1 THR 15 HG1 THR 15 30.166 12.667 22.169
108 HG21 THR 15 HG21 THR 15 31.409 10.067 20.156
109 HG22 THR 15 HG22 THR 15 32.262 11.550 20.584
110 HG23 THR 15 HG23 THR 15 30.569 11.619 20.096
111 HA PRO 16 HA PRO 16 26.535 11.637 24.648
112 HB2 PRO 16 HB2 PRO 16 27.935 12.812 26.760
113 HB3 PRO 16 HB1 PRO 16 27.249 11.178 26.786
114 HG2 PRO 16 HG2 PRO 16 30.048 12.049 26.292
115 HG3 PRO 16 HG1 PRO 16 29.442 10.616 27.141
116 HD2 PRO 16 HD2 PRO 16 30.445 10.466 24.628
117 HD3 PRO 16 HD1 PRO 16 29.109 9.420 25.167
118 H ASP 17 HN ASP 17 29.616 13.171 23.833
119 HA ASP 17 HA ASP 17 28.515 15.842 23.985
120 HB2 ASP 17 HB2 ASP 17 31.161 14.747 23.037
121 HB3 ASP 17 HB1 ASP 17 30.745 16.459 22.981
122 H GLY 18 HN GLY 18 28.580 13.314 21.559
123 HA2 GLY 18 HA2 GLY 18 26.959 14.555 19.767
124 HA3 GLY 18 HA1 GLY 18 28.548 15.167 19.328
125 H ILE 19 HN ILE 19 28.907 14.135 17.411
126 HA ILE 19 HA ILE 19 29.090 11.204 17.488
127 HB ILE 19 HB ILE 19 28.376 11.315 15.046
128 HG12 ILE 19 HG12 ILE 19 27.310 14.014 15.914
129 HG13 ILE 19 HG11 ILE 19 28.709 13.794 14.862
130 HG21 ILE 19 HG21 ILE 19 26.902 10.569 16.974
131 HG22 ILE 19 HG22 ILE 19 26.031 11.197 15.575
132 HG23 ILE 19 HG23 ILE 19 26.249 12.208 17.003
133 HD11 ILE 19 HD11 ILE 19 27.173 12.406 13.356
134 HD12 ILE 19 HD12 ILE 19 26.864 14.143 13.396
135 HD13 ILE 19 HD13 ILE 19 25.835 13.042 14.313
136 H ASP 20 HN ASP 20 30.693 10.380 16.185
137 HA ASP 20 HA ASP 20 32.642 12.307 15.066
138 HB2 ASP 20 HB2 ASP 20 33.452 11.464 17.241
139 HB3 ASP 20 HB1 ASP 20 33.297 9.816 16.644
140 H LEU 21 HN LEU 21 33.520 11.745 13.112
141 HA LEU 21 HA LEU 21 32.944 9.051 12.103
142 HB2 LEU 21 HB2 LEU 21 32.403 11.621 10.589
143 HB3 LEU 21 HB1 LEU 21 32.199 9.986 9.960
144 HG LEU 21 HG LEU 21 30.712 9.798 12.217
145 HD11 LEU 21 HD11 LEU 21 29.455 11.830 12.575
146 HD12 LEU 21 HD12 LEU 21 30.270 12.630 11.233
147 HD13 LEU 21 HD13 LEU 21 31.165 12.238 12.699
148 HD21 LEU 21 HD21 LEU 21 28.753 10.464 10.650
149 HD22 LEU 21 HD22 LEU 21 29.788 9.129 10.144
150 HD23 LEU 21 HD23 LEU 21 30.003 10.729 9.436
151 H ARG 22 HN ARG 22 34.685 8.183 11.306
152 HA ARG 22 HA ARG 22 36.878 9.935 10.346
153 HB2 ARG 22 HB2 ARG 22 37.031 7.427 12.014
154 HB3 ARG 22 HB1 ARG 22 38.430 8.145 11.216
155 HG2 ARG 22 HG2 ARG 22 38.059 10.249 12.420
156 HG3 ARG 22 HG1 ARG 22 36.621 9.574 13.186
157 HD2 ARG 22 HD2 ARG 22 39.390 8.379 13.460
158 HD3 ARG 22 HD1 ARG 22 38.689 9.502 14.623
159 HE ARG 22 HE ARG 22 36.853 7.419 14.267
160 HH11 ARG 22 HH21 ARG 22 40.080 7.944 15.377
161 HH12 ARG 22 HH22 ARG 22 40.038 6.671 16.549
162 HH21 ARG 22 HH11 ARG 22 36.780 5.740 15.805
163 HH22 ARG 22 HH12 ARG 22 38.168 5.422 16.792
164 H LEU 23 HN LEU 23 37.896 9.445 8.476
165 HA LEU 23 HA LEU 23 37.300 6.850 7.252
166 HB2 LEU 23 HB2 LEU 23 36.999 9.501 5.816
167 HB3 LEU 23 HB1 LEU 23 36.851 7.903 5.088
168 HG LEU 23 HG LEU 23 35.081 7.662 7.138
169 HD11 LEU 23 HD11 LEU 23 33.847 9.689 7.442
170 HD12 LEU 23 HD12 LEU 23 34.744 10.506 6.161
171 HD13 LEU 23 HD13 LEU 23 35.543 10.112 7.685
172 HD21 LEU 23 HD21 LEU 23 34.777 8.631 4.300
173 HD22 LEU 23 HD22 LEU 23 33.361 8.445 5.334
174 HD23 LEU 23 HD23 LEU 23 34.381 7.051 4.979
175 H SER 24 HN SER 24 39.013 5.991 6.287
176 HA SER 24 HA SER 24 41.567 7.279 6.526
177 HB2 SER 24 HB2 SER 24 42.363 5.174 5.358
178 HB3 SER 24 HB1 SER 24 41.513 4.929 6.881
179 HG SER 24 HG SER 24 39.685 4.371 5.748
180 H HIS 25 HN HIS 25 43.006 7.788 4.876
181 HA HIS 25 HA HIS 25 42.014 9.247 2.707
182 HB2 HIS 25 HB2 HIS 25 44.738 7.987 3.144
183 HB3 HIS 25 HB1 HIS 25 44.379 9.159 1.876
184 HD2 HIS 25 HD2 HIS 25 44.971 9.083 5.747
185 HE1 HIS 25 HE1 HIS 25 44.351 13.101 4.617
186 HE2 HIS 25 HE2 HIS 25 45.038 11.573 6.522
187 H GLU 26 HN GLU 26 42.814 5.912 3.110
188 HA GLU 26 HA GLU 26 42.932 5.161 0.367
189 HB2 GLU 26 HB2 GLU 26 42.309 3.545 2.848
190 HB3 GLU 26 HB1 GLU 26 42.560 2.850 1.246
191 HG2 GLU 26 HG2 GLU 26 44.824 3.807 1.170
192 HG3 GLU 26 HG1 GLU 26 44.573 4.550 2.749
193 H ALA 27 HN ALA 27 40.330 5.378 2.750
194 HA ALA 27 HA ALA 27 38.302 4.097 1.279
195 HB1 ALA 27 HB1 ALA 27 36.736 5.213 2.730
196 HB2 ALA 27 HB2 ALA 27 37.929 6.440 3.160
197 HB3 ALA 27 HB3 ALA 27 38.146 4.771 3.693
198 H LEU 28 HN LEU 28 39.630 7.300 1.158
199 HA LEU 28 HA LEU 28 37.641 8.445 -0.566
200 HB2 LEU 28 HB2 LEU 28 40.478 9.278 0.080
201 HB3 LEU 28 HB1 LEU 28 39.422 10.204 -0.979
202 HG LEU 28 HG LEU 28 38.772 9.471 1.894
203 HD11 LEU 28 HD11 LEU 28 40.545 11.042 2.018
204 HD12 LEU 28 HD12 LEU 28 39.087 12.020 2.164
205 HD13 LEU 28 HD13 LEU 28 39.949 11.949 0.629
206 HD21 LEU 28 HD21 LEU 28 37.277 10.754 -0.321
207 HD22 LEU 28 HD22 LEU 28 37.218 11.622 1.213
208 HD23 LEU 28 HD23 LEU 28 36.674 9.947 1.126
209 H ARG 29 HN ARG 29 40.754 6.882 -1.022
210 HA ARG 29 HA ARG 29 41.021 7.338 -3.789
211 HB2 ARG 29 HB2 ARG 29 42.129 5.184 -1.984
212 HB3 ARG 29 HB1 ARG 29 42.563 5.324 -3.686
213 HG2 ARG 29 HG2 ARG 29 43.342 7.634 -3.297
214 HG3 ARG 29 HG1 ARG 29 42.922 7.482 -1.590
215 HD2 ARG 29 HD2 ARG 29 44.523 5.621 -1.357
216 HD3 ARG 29 HD1 ARG 29 44.934 5.761 -3.063
217 HE ARG 29 HE ARG 29 45.347 8.277 -2.003
218 HH11 ARG 29 HH21 ARG 29 46.462 5.060 -1.369
219 HH12 ARG 29 HH22 ARG 29 48.039 5.566 -0.864
220 HH21 ARG 29 HH11 ARG 29 47.398 8.939 -1.346
221 HH22 ARG 29 HH12 ARG 29 48.570 7.764 -0.851
222 H GLN 30 HN GLN 30 39.406 4.697 -2.025
223 HA GLN 30 HA GLN 30 38.905 3.151 -4.384
224 HB2 GLN 30 HB2 GLN 30 37.589 3.108 -1.658
225 HB3 GLN 30 HB1 GLN 30 37.301 1.917 -2.923
226 HG2 GLN 30 HG2 GLN 30 40.011 2.524 -1.708
227 HG3 GLN 30 HG1 GLN 30 38.997 1.155 -1.266
228 HE21 GLN 30 HE21 GLN 30 41.671 1.767 -3.032
229 HE22 GLN 30 HE22 GLN 30 41.475 0.645 -4.291
230 H ILE 31 HN ILE 31 37.055 5.489 -2.491
231 HA ILE 31 HA ILE 31 34.641 5.216 -3.899
232 HB ILE 31 HB ILE 31 35.774 7.512 -2.297
233 HG12 ILE 31 HG12 ILE 31 33.502 5.619 -1.647
234 HG13 ILE 31 HG11 ILE 31 35.172 5.248 -1.230
235 HG21 ILE 31 HG21 ILE 31 34.207 8.640 -3.592
236 HG22 ILE 31 HG22 ILE 31 33.181 8.058 -2.278
237 HG23 ILE 31 HG23 ILE 31 33.210 7.204 -3.821
238 HD11 ILE 31 HD11 ILE 31 33.407 6.734 0.321
239 HD12 ILE 31 HD12 ILE 31 34.410 7.964 -0.450
240 HD13 ILE 31 HD13 ILE 31 35.160 6.690 0.512
241 H TYR 32 HN TYR 32 37.363 7.524 -4.492
242 HA TYR 32 HA TYR 32 36.042 8.918 -6.580
243 HB2 TYR 32 HB2 TYR 32 38.027 9.851 -5.551
244 HB3 TYR 32 HB1 TYR 32 38.991 8.470 -6.067
245 HD1 TYR 32 HD1 TYR 32 36.780 11.154 -7.463
246 HD2 TYR 32 HD2 TYR 32 40.156 8.575 -8.098
247 HE1 TYR 32 HE1 TYR 32 37.241 12.287 -9.621
248 HE2 TYR 32 HE2 TYR 32 40.616 9.708 -10.257
249 HH TYR 32 HH TYR 32 38.373 11.848 -11.723
250 H LEU 33 HN LEU 33 38.326 6.204 -6.661
251 HA LEU 33 HA LEU 33 38.362 5.869 -9.463
252 HB2 LEU 33 HB2 LEU 33 38.918 3.966 -7.191
253 HB3 LEU 33 HB1 LEU 33 39.180 3.547 -8.881
254 HG LEU 33 HG LEU 33 40.401 5.972 -7.537
255 HD11 LEU 33 HD11 LEU 33 42.521 4.467 -7.800
256 HD12 LEU 33 HD12 LEU 33 41.360 3.140 -7.844
257 HD13 LEU 33 HD13 LEU 33 41.442 4.191 -6.432
258 HD21 LEU 33 HD21 LEU 33 40.785 6.515 -9.709
259 HD22 LEU 33 HD22 LEU 33 40.351 4.908 -10.283
260 HD23 LEU 33 HD23 LEU 33 41.978 5.219 -9.683
261 H SER 34 HN SER 34 36.306 4.381 -6.957
262 HA SER 34 HA SER 34 35.024 2.496 -8.594
263 HB2 SER 34 HB2 SER 34 34.858 2.512 -6.134
264 HB3 SER 34 HB1 SER 34 33.916 3.998 -6.207
265 HG SER 34 HG SER 34 32.240 2.910 -6.993
266 H GLY 35 HN GLY 35 34.406 5.895 -7.979
267 HA2 GLY 35 HA2 GLY 35 31.949 6.043 -9.444
268 HA3 GLY 35 HA1 GLY 35 32.922 7.407 -8.902
269 H LEU 36 HN LEU 36 35.343 6.532 -10.156
270 HA LEU 36 HA LEU 36 35.104 7.784 -12.646
271 HB2 LEU 36 HB2 LEU 36 37.221 7.711 -11.429
272 HB3 LEU 36 HB1 LEU 36 37.292 5.961 -11.615
273 HG LEU 36 HG LEU 36 37.422 6.203 -14.062
274 HD11 LEU 36 HD11 LEU 36 37.900 8.682 -14.811
275 HD12 LEU 36 HD12 LEU 36 36.960 9.087 -13.376
276 HD13 LEU 36 HD13 LEU 36 36.237 8.116 -14.661
277 HD21 LEU 36 HD21 LEU 36 39.604 6.166 -13.390
278 HD22 LEU 36 HD22 LEU 36 39.383 7.482 -12.239
279 HD23 LEU 36 HD23 LEU 36 39.579 7.836 -13.954
280 H HIS 37 HN HIS 37 35.062 4.383 -11.727
281 HA HIS 37 HA HIS 37 35.125 3.417 -14.439
282 HB2 HIS 37 HB2 HIS 37 34.428 2.089 -11.807
283 HB3 HIS 37 HB1 HIS 37 34.480 1.239 -13.351
284 HD2 HIS 37 HD2 HIS 37 37.046 0.521 -14.191
285 HE1 HIS 37 HE1 HIS 37 39.187 2.561 -11.177
286 HE2 HIS 37 HE2 HIS 37 39.391 0.937 -13.120
287 H SER 38 HN SER 38 32.763 4.667 -12.321
288 HA SER 38 HA SER 38 30.458 3.342 -13.398
289 HB2 SER 38 HB2 SER 38 30.486 5.999 -11.975
290 HB3 SER 38 HB1 SER 38 29.182 4.814 -12.039
291 HG SER 38 HG SER 38 31.599 3.873 -11.098
292 H TRP 39 HN TRP 39 32.563 5.530 -14.781
293 HA TRP 39 HA TRP 39 30.692 7.237 -16.097
294 HB2 TRP 39 HB2 TRP 39 33.237 7.591 -15.706
295 HB3 TRP 39 HB1 TRP 39 33.430 6.617 -17.164
296 HD1 TRP 39 HD1 TRP 39 33.046 7.776 -19.426
297 HE1 TRP 39 HE1 TRP 39 32.247 10.118 -20.155
298 HE3 TRP 39 HE3 TRP 39 31.533 9.632 -14.917
299 HZ2 TRP 39 HZ2 TRP 39 31.120 12.472 -18.975
300 HZ3 TRP 39 HZ3 TRP 39 30.602 11.922 -14.748
301 HH2 TRP 39 HH2 TRP 39 30.393 13.342 -16.769
302 H LYS 40 HN LYS 40 32.223 4.153 -16.802
303 HA LYS 40 HA LYS 40 30.879 4.079 -19.423
304 HB2 LYS 40 HB2 LYS 40 33.085 2.371 -18.254
305 HB3 LYS 40 HB1 LYS 40 32.329 2.079 -19.823
306 HG2 LYS 40 HG2 LYS 40 33.005 4.295 -20.602
307 HG3 LYS 40 HG1 LYS 40 33.678 4.670 -19.018
308 HD2 LYS 40 HD2 LYS 40 35.555 4.016 -20.309
309 HD3 LYS 40 HD1 LYS 40 35.171 2.598 -19.337
310 HE2 LYS 40 HE2 LYS 40 34.139 1.491 -21.184
311 HE3 LYS 40 HE1 LYS 40 34.099 2.970 -22.143
312 HZ1 LYS 40 HZ1 LYS 40 36.550 1.546 -21.266
313 HZ2 LYS 40 HZ2 LYS 40 36.510 2.978 -22.181
314 HZ3 LYS 40 HZ3 LYS 40 35.904 1.531 -22.834
315 H LYS 41 HN LYS 41 29.495 2.456 -19.997
316 HA LYS 41 HA LYS 41 27.962 1.287 -17.869
317 HB2 LYS 41 HB2 LYS 41 27.808 1.062 -20.881
318 HB3 LYS 41 HB1 LYS 41 26.656 0.303 -19.781
319 HG2 LYS 41 HG2 LYS 41 26.091 2.509 -18.832
320 HG3 LYS 41 HG1 LYS 41 27.254 3.277 -19.913
321 HD2 LYS 41 HD2 LYS 41 25.989 2.437 -21.866
322 HD3 LYS 41 HD1 LYS 41 24.820 1.687 -20.779
323 HE2 LYS 41 HE2 LYS 41 24.231 3.889 -19.861
324 HE3 LYS 41 HE1 LYS 41 25.428 4.657 -20.904
325 HZ1 LYS 41 HZ1 LYS 41 23.334 4.848 -21.964
326 HZ2 LYS 41 HZ2 LYS 41 22.979 3.202 -21.731
327 HZ3 LYS 41 HZ3 LYS 41 24.202 3.667 -22.818
328 H LYS 42 HN LYS 42 27.799 -0.838 -17.283
329 HA LYS 42 HA LYS 42 30.076 -2.535 -17.924
330 HB2 LYS 42 HB2 LYS 42 29.275 -2.292 -15.587
331 HB3 LYS 42 HB1 LYS 42 27.740 -3.019 -16.054
332 HG2 LYS 42 HG2 LYS 42 28.930 -5.080 -16.744
333 HG3 LYS 42 HG1 LYS 42 30.459 -4.348 -16.261
334 HD2 LYS 42 HD2 LYS 42 29.660 -4.162 -13.942
335 HD3 LYS 42 HD1 LYS 42 28.106 -4.850 -14.415
336 HE2 LYS 42 HE2 LYS 42 29.519 -6.595 -13.423
337 HE3 LYS 42 HE1 LYS 42 29.259 -6.928 -15.134
338 HZ1 LYS 42 HZ1 LYS 42 31.491 -7.162 -15.068
339 HZ2 LYS 42 HZ2 LYS 42 31.691 -6.116 -13.744
340 HZ3 LYS 42 HZ3 LYS 42 31.452 -5.485 -15.302