Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
17470 | 2cps RC | 4197 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 1H ALA 1 21.381 -2.687 29.404
2 2H ALA 1 3H ALA 1 21.005 -2.621 31.057
3 3H ALA 1 2H ALA 1 20.479 -3.936 30.119
4 HA ALA 1 HA ALA 1 18.562 -2.771 30.159
5 1HB ALA 1 3HB ALA 1 19.545 -0.932 31.547
6 2HB ALA 1 2HB ALA 1 20.165 -0.195 30.068
7 3HB ALA 1 1HB ALA 1 18.423 -0.336 30.318
8 H GLU 2 H GLU 2 17.439 -2.802 28.333
9 HA GLU 2 HA GLU 2 18.688 -2.762 25.803
10 1HB GLU 2 2HB GLU 2 16.361 -2.904 24.930
11 2HB GLU 2 1HB GLU 2 16.739 -4.120 26.148
12 1HG GLU 2 2HG GLU 2 15.782 -2.029 27.666
13 2HG GLU 2 1HG GLU 2 14.778 -1.946 26.218
14 H GLY 3 H GLY 3 19.636 -0.502 26.417
15 1HA GLY 3 2HA GLY 3 17.833 1.630 25.533
16 2HA GLY 3 1HA GLY 3 19.294 1.875 26.482
17 H ASP 4 H ASP 4 17.981 2.034 23.418
18 HA ASP 4 HA ASP 4 20.617 1.791 22.109
19 1HB ASP 4 2HB ASP 4 18.415 0.473 21.395
20 2HB ASP 4 1HB ASP 4 18.120 1.969 20.507
21 H ASP 5 H ASP 5 19.256 4.120 23.608
22 HA ASP 5 HA ASP 5 18.983 6.394 23.378
23 1HB ASP 5 2HB ASP 5 21.486 5.834 22.842
24 2HB ASP 5 1HB ASP 5 21.038 6.311 21.204
25 HA PRO 6 HA PRO 6 16.411 6.374 19.619
26 1HB PRO 6 2HB PRO 6 14.170 7.324 20.794
27 2HB PRO 6 1HB PRO 6 14.624 5.613 20.806
28 1HG PRO 6 2HG PRO 6 14.661 7.567 22.992
29 2HG PRO 6 1HG PRO 6 14.634 5.799 23.059
30 1HD PRO 6 2HD PRO 6 16.879 7.535 23.417
31 2HD PRO 6 1HD PRO 6 16.850 5.763 23.458
32 H ALA 7 H ALA 7 18.047 8.662 21.130
33 HA ALA 7 HA ALA 7 16.541 11.006 20.305
34 1HB ALA 7 3HB ALA 7 18.918 10.461 21.963
35 2HB ALA 7 2HB ALA 7 18.961 11.972 21.052
36 3HB ALA 7 1HB ALA 7 17.636 11.656 22.174
37 H LYS 8 H LYS 8 20.020 10.626 19.848
38 HA LYS 8 HA LYS 8 19.815 11.724 17.187
39 1HB LYS 8 2HB LYS 8 22.221 11.789 17.276
40 2HB LYS 8 1HB LYS 8 21.572 12.404 18.785
41 1HG LYS 8 2HG LYS 8 21.871 9.991 19.666
42 2HG LYS 8 1HG LYS 8 22.875 9.746 18.240
43 1HD LYS 8 2HD LYS 8 24.107 10.404 20.371
44 2HD LYS 8 1HD LYS 8 24.480 11.333 18.925
45 1HE LYS 8 2HE LYS 8 24.139 12.642 21.104
46 2HE LYS 8 1HE LYS 8 23.267 13.217 19.684
47 1HZ LYS 8 2HZ LYS 8 21.784 11.265 21.157
48 2HZ LYS 8 1HZ LYS 8 22.188 12.609 22.113
49 3HZ LYS 8 3HZ LYS 8 21.330 12.827 20.668
50 H ALA 9 H ALA 9 20.580 8.633 18.690
51 HA ALA 9 HA ALA 9 21.679 7.236 16.571
52 1HB ALA 9 3HB ALA 9 20.885 6.585 19.090
53 2HB ALA 9 2HB ALA 9 19.683 5.728 18.121
54 3HB ALA 9 1HB ALA 9 21.402 5.412 17.876
55 H ALA 10 H ALA 10 18.226 7.172 17.464
56 HA ALA 10 HA ALA 10 17.196 5.805 15.325
57 1HB ALA 10 3HB ALA 10 16.135 7.924 17.119
58 2HB ALA 10 2HB ALA 10 15.195 7.527 15.678
59 3HB ALA 10 1HB ALA 10 15.570 6.272 16.861
60 H PHE 11 H PHE 11 17.822 9.299 15.483
61 HA PHE 11 HA PHE 11 16.865 9.923 12.902
62 1HB PHE 11 2HB PHE 11 17.421 11.497 14.835
63 2HB PHE 11 1HB PHE 11 19.090 11.379 14.307
64 HD1 PHE 11 HD1 PHE 11 19.682 12.087 11.936
65 HD2 PHE 11 HD2 PHE 11 15.875 12.940 13.713
66 HE1 PHE 11 HE1 PHE 11 19.272 13.828 10.251
67 HE2 PHE 11 HE2 PHE 11 15.485 14.678 12.019
68 HZ PHE 11 HZ PHE 11 17.179 15.124 10.289
69 H ASN 12 H ASN 12 20.041 8.954 14.089
70 HA ASN 12 HA ASN 12 21.372 9.293 11.572
71 1HB ASN 12 2HB ASN 12 22.087 8.406 14.267
72 2HB ASN 12 1HB ASN 12 22.898 7.496 12.999
73 1HD2 ASN 12 2HD2 ASN 12 25.261 10.008 12.675
74 2HD2 ASN 12 1HD2 ASN 12 24.882 8.331 12.839
75 H SER 13 H SER 13 19.537 6.766 13.083
76 HA SER 13 HA SER 13 20.450 4.523 11.668
77 1HB SER 13 2HB SER 13 17.562 4.711 12.254
78 2HB SER 13 1HB SER 13 18.717 3.435 12.642
79 HG SER 13 HG SER 13 18.778 4.274 14.567
80 H LEU 14 H LEU 14 18.556 7.216 10.647
81 HA LEU 14 HA LEU 14 17.364 5.837 8.397
82 1HB LEU 14 2HB LEU 14 17.445 8.806 8.511
83 2HB LEU 14 1HB LEU 14 16.152 7.737 7.988
84 HG LEU 14 HG LEU 14 17.007 8.223 10.852
85 1HD1 LEU 14 3HD1 LEU 14 14.653 9.206 9.245
86 2HD1 LEU 14 2HD1 LEU 14 14.662 9.189 11.008
87 3HD1 LEU 14 1HD1 LEU 14 15.851 10.157 10.130
88 1HD2 LEU 14 1HD2 LEU 14 16.161 5.915 10.409
89 2HD2 LEU 14 3HD2 LEU 14 15.139 6.840 11.513
90 3HD2 LEU 14 2HD2 LEU 14 14.650 6.623 9.832
91 H GLN 15 H GLN 15 19.891 8.225 8.973
92 HA GLN 15 HA GLN 15 20.596 8.617 6.249
93 1HB GLN 15 2HB GLN 15 21.068 10.212 8.065
94 2HB GLN 15 1HB GLN 15 22.216 9.074 8.751
95 1HG GLN 15 2HG GLN 15 23.594 10.485 7.505
96 2HG GLN 15 1HG GLN 15 23.313 9.147 6.390
97 1HE2 GLN 15 2HD2 GLN 15 22.710 12.471 4.730
98 2HE2 GLN 15 1HD2 GLN 15 24.009 11.827 5.669
99 H ALA 16 H ALA 16 21.416 6.250 8.630
100 HA ALA 16 HA ALA 16 23.829 5.317 7.397
101 1HB ALA 16 3HB ALA 16 23.267 4.990 9.803
102 2HB ALA 16 2HB ALA 16 22.021 3.840 9.311
103 3HB ALA 16 1HB ALA 16 23.719 3.500 8.974
104 H SER 17 H SER 17 20.700 5.160 6.313
105 HA SER 17 HA SER 17 20.884 2.462 5.205
106 1HB SER 17 2HB SER 17 18.755 3.633 6.187
107 2HB SER 17 1HB SER 17 18.669 4.381 4.596
108 HG SER 17 HG SER 17 17.527 2.310 4.842
109 H ALA 18 H ALA 18 22.856 4.183 4.302
110 HA ALA 18 HA ALA 18 22.032 5.013 1.611
111 1HB ALA 18 1HB ALA 18 23.609 6.279 3.458
112 2HB ALA 18 3HB ALA 18 24.807 5.496 2.427
113 3HB ALA 18 2HB ALA 18 23.626 6.602 1.723
114 H THR 19 H THR 19 21.830 2.633 1.270
115 HA THR 19 HA THR 19 24.095 0.956 1.160
116 HB THR 19 HB THR 19 21.629 0.305 1.191
117 HG1 THR 19 HG1 THR 19 23.146 -1.097 -0.730
118 1HG2 THR 19 2HG2 THR 19 21.991 0.790 -1.773
119 2HG2 THR 19 1HG2 THR 19 20.743 -0.262 -1.109
120 3HG2 THR 19 3HG2 THR 19 20.745 1.457 -0.714
121 H GLU 20 H GLU 20 23.404 3.606 -0.766
122 HA GLU 20 HA GLU 20 24.586 2.522 -3.187
123 1HB GLU 20 2HB GLU 20 22.827 4.655 -2.557
124 2HB GLU 20 1HB GLU 20 24.272 5.356 -3.273
125 1HG GLU 20 2HG GLU 20 22.437 3.277 -4.474
126 2HG GLU 20 1HG GLU 20 22.757 4.906 -5.061
127 H TYR 21 H TYR 21 25.685 3.822 -0.317
128 HA TYR 21 HA TYR 21 28.155 4.845 -1.563
129 1HB TYR 21 2HB TYR 21 26.668 5.573 0.916
130 2HB TYR 21 1HB TYR 21 28.412 5.781 0.885
131 HD1 TYR 21 HD1 TYR 21 29.448 7.333 -0.761
132 HD2 TYR 21 HD2 TYR 21 25.208 7.014 -0.320
133 HE1 TYR 21 HE1 TYR 21 29.156 9.467 -1.955
134 HE2 TYR 21 HE2 TYR 21 24.929 9.149 -1.514
135 HH TYR 21 HH TYR 21 27.499 10.678 -3.190
136 H ILE 22 H ILE 22 26.870 2.259 0.239
137 HA ILE 22 HA ILE 22 29.395 1.605 1.561
138 HB ILE 22 HB ILE 22 26.760 0.172 1.477
139 1HG1 ILE 22 2HG1 ILE 22 27.023 2.503 2.717
140 2HG1 ILE 22 1HG1 ILE 22 26.122 1.190 3.491
141 1HG2 ILE 22 2HG2 ILE 22 28.735 -1.307 1.891
142 2HG2 ILE 22 1HG2 ILE 22 29.075 -0.367 3.345
143 3HG2 ILE 22 3HG2 ILE 22 27.573 -1.283 3.221
144 1HD1 ILE 22 2HD1 ILE 22 28.269 0.589 4.701
145 2HD1 ILE 22 1HD1 ILE 22 28.947 2.098 4.088
146 3HD1 ILE 22 3HD1 ILE 22 27.542 2.129 5.152
147 H GLY 23 H GLY 23 30.496 1.399 -0.469
148 1HA GLY 23 2HA GLY 23 30.932 -1.241 -1.275
149 2HA GLY 23 1HA GLY 23 29.859 -0.498 -2.461
150 H TYR 24 H TYR 24 30.682 1.922 -2.901
151 HA TYR 24 HA TYR 24 33.138 1.640 -4.313
152 1HB TYR 24 2HB TYR 24 31.777 4.242 -3.667
153 2HB TYR 24 1HB TYR 24 32.783 3.858 -5.054
154 HD1 TYR 24 HD1 TYR 24 31.923 2.024 -6.658
155 HD2 TYR 24 HD2 TYR 24 29.414 4.048 -3.841
156 HE1 TYR 24 HE1 TYR 24 29.933 1.381 -7.954
157 HE2 TYR 24 HE2 TYR 24 27.439 3.398 -5.149
158 HH TYR 24 HH TYR 24 26.963 1.328 -6.870
159 H ALA 25 H ALA 25 32.278 2.779 -1.152
160 HA ALA 25 HA ALA 25 34.612 4.327 -0.630
161 1HB ALA 25 2HB ALA 25 32.480 4.491 0.656
162 2HB ALA 25 1HB ALA 25 32.833 2.911 1.360
163 3HB ALA 25 3HB ALA 25 33.904 4.278 1.676
164 H TRP 26 H TRP 26 33.821 0.927 -0.380
165 HA TRP 26 HA TRP 26 36.013 0.137 1.244
166 1HB TRP 26 2HB TRP 26 33.883 -1.153 -0.237
167 2HB TRP 26 1HB TRP 26 35.402 -2.009 -0.430
168 HD1 TRP 26 1HD TRP 26 32.774 -1.116 2.213
169 HE1 TRP 26 1HE TRP 26 33.223 -2.524 4.294
170 HE3 TRP 26 3HE TRP 26 37.267 -3.201 0.924
171 HZ2 TRP 26 2HZ TRP 26 35.175 -4.272 5.292
172 HZ3 TRP 26 3HZ TRP 26 38.375 -4.739 2.497
173 HH2 TRP 26 HH2 TRP 26 37.340 -5.271 4.663
174 H ALA 27 H ALA 27 35.529 0.408 -2.242
175 HA ALA 27 HA ALA 27 37.985 -0.716 -3.062
176 1HB ALA 27 3HB ALA 27 35.744 0.501 -4.291
177 2HB ALA 27 2HB ALA 27 37.172 1.376 -4.847
178 3HB ALA 27 1HB ALA 27 37.064 -0.372 -5.070
179 H MET 28 H MET 28 37.052 2.529 -2.066
180 HA MET 28 HA MET 28 39.406 3.870 -2.813
181 1HB MET 28 2HB MET 28 37.055 4.727 -2.114
182 2HB MET 28 1HB MET 28 37.707 4.627 -0.483
183 1HG MET 28 2HG MET 28 37.958 6.862 -1.428
184 2HG MET 28 1HG MET 28 39.510 6.121 -1.079
185 1HE MET 28 1HE MET 28 37.846 8.286 -2.862
186 2HE MET 28 3HE MET 28 39.179 8.699 -3.950
187 3HE MET 28 2HE MET 28 37.738 7.900 -4.579
188 H VAL 29 H VAL 29 38.404 2.149 0.092
189 HA VAL 29 HA VAL 29 40.478 2.920 1.813
190 HB VAL 29 HB VAL 29 38.859 0.380 1.651
191 1HG1 VAL 29 1HG1 VAL 29 40.844 1.318 3.697
192 2HG1 VAL 29 3HG1 VAL 29 39.526 0.225 4.123
193 3HG1 VAL 29 2HG1 VAL 29 40.718 -0.259 2.915
194 1HG2 VAL 29 3HG2 VAL 29 37.758 2.665 2.089
195 2HG2 VAL 29 2HG2 VAL 29 37.404 1.348 3.208
196 3HG2 VAL 29 1HG2 VAL 29 38.567 2.598 3.656
197 H VAL 30 H VAL 30 40.230 0.209 -0.473
198 HA VAL 30 HA VAL 30 42.678 -1.017 0.102
199 HB VAL 30 HB VAL 30 41.101 -0.874 -2.465
200 1HG1 VAL 30 3HG1 VAL 30 43.548 -2.363 -1.688
201 2HG1 VAL 30 2HG1 VAL 30 42.354 -3.186 -2.693
202 3HG1 VAL 30 1HG1 VAL 30 43.085 -1.678 -3.246
203 1HG2 VAL 30 2HG2 VAL 30 41.109 -2.848 -0.181
204 2HG2 VAL 30 1HG2 VAL 30 39.772 -1.825 -0.710
205 3HG2 VAL 30 3HG2 VAL 30 40.333 -3.145 -1.738
206 H VAL 31 H VAL 31 41.833 1.717 -1.936
207 HA VAL 31 HA VAL 31 44.358 1.926 -3.237
208 HB VAL 31 HB VAL 31 42.087 3.869 -2.871
209 1HG1 VAL 31 2HG1 VAL 31 44.568 4.065 -4.564
210 2HG1 VAL 31 1HG1 VAL 31 43.130 5.057 -4.816
211 3HG1 VAL 31 3HG1 VAL 31 44.027 5.172 -3.301
212 1HG2 VAL 31 1HG2 VAL 31 42.746 1.746 -4.841
213 2HG2 VAL 31 3HG2 VAL 31 41.176 2.301 -4.257
214 3HG2 VAL 31 2HG2 VAL 31 42.048 3.239 -5.472
215 H ILE 32 H ILE 32 43.304 2.661 -0.102
216 HA ILE 32 HA ILE 32 45.249 4.799 0.320
217 HB ILE 32 HB ILE 32 43.234 3.489 2.145
218 1HG1 ILE 32 2HG1 ILE 32 43.337 6.227 0.871
219 2HG1 ILE 32 1HG1 ILE 32 42.252 4.912 0.428
220 1HG2 ILE 32 3HG2 ILE 32 45.561 5.014 2.819
221 2HG2 ILE 32 2HG2 ILE 32 44.118 5.952 3.212
222 3HG2 ILE 32 1HG2 ILE 32 44.331 4.335 3.888
223 1HD1 ILE 32 1HD1 ILE 32 42.095 5.439 3.266
224 2HD1 ILE 32 3HD1 ILE 32 41.794 6.913 2.344
225 3HD1 ILE 32 2HD1 ILE 32 40.813 5.475 2.053
226 H VAL 33 H VAL 33 44.563 1.510 1.503
227 HA VAL 33 HA VAL 33 47.063 1.361 2.932
228 HB VAL 33 HB VAL 33 44.721 -0.451 2.458
229 1HG1 VAL 33 1HG1 VAL 33 47.308 -1.274 3.766
230 2HG1 VAL 33 3HG1 VAL 33 45.807 -2.201 3.785
231 3HG1 VAL 33 2HG1 VAL 33 46.646 -1.910 2.260
232 1HG2 VAL 33 3HG2 VAL 33 45.991 0.888 4.823
233 2HG2 VAL 33 2HG2 VAL 33 44.332 1.014 4.234
234 3HG2 VAL 33 1HG2 VAL 33 44.878 -0.466 5.024
235 H GLY 34 H GLY 34 45.621 -0.561 0.276
236 1HA GLY 34 2HA GLY 34 47.842 -1.991 -0.511
237 2HA GLY 34 1HA GLY 34 46.573 -1.470 -1.620
238 H ALA 35 H ALA 35 47.165 1.383 -0.975
239 HA ALA 35 HA ALA 35 49.029 1.881 -3.074
240 1HB ALA 35 3HB ALA 35 47.507 3.559 -1.123
241 2HB ALA 35 2HB ALA 35 48.828 4.287 -2.040
242 3HB ALA 35 1HB ALA 35 47.457 3.566 -2.887
243 H THR 36 H THR 36 49.305 1.482 0.357
244 HA THR 36 HA THR 36 51.882 2.790 0.535
245 HB THR 36 HB THR 36 49.981 2.453 2.360
246 HG1 THR 36 HG1 THR 36 51.799 2.657 3.922
247 1HG2 THR 36 1HG2 THR 36 51.823 0.109 2.884
248 2HG2 THR 36 3HG2 THR 36 50.611 0.733 4.004
249 3HG2 THR 36 2HG2 THR 36 50.111 0.011 2.476
250 H ILE 37 H ILE 37 50.668 -0.542 0.699
251 HA ILE 37 HA ILE 37 52.993 -1.950 1.112
252 HB ILE 37 HB ILE 37 50.716 -2.647 -0.733
253 1HG1 ILE 37 2HG1 ILE 37 51.194 -3.222 2.178
254 2HG1 ILE 37 1HG1 ILE 37 49.949 -2.179 1.507
255 1HG2 ILE 37 1HG2 ILE 37 52.844 -4.392 0.500
256 2HG2 ILE 37 3HG2 ILE 37 51.394 -4.996 -0.305
257 3HG2 ILE 37 2HG2 ILE 37 52.593 -4.078 -1.218
258 1HD1 ILE 37 2HD1 ILE 37 49.715 -4.718 0.245
259 2HD1 ILE 37 1HD1 ILE 37 49.846 -4.996 1.983
260 3HD1 ILE 37 3HD1 ILE 37 48.577 -3.944 1.350
261 H GLY 38 H GLY 38 51.869 -0.416 -1.836
262 1HA GLY 38 2HA GLY 38 53.707 -1.576 -3.647
263 2HA GLY 38 1HA GLY 38 52.863 -0.043 -3.872
264 H ILE 39 H ILE 39 53.733 1.721 -2.330
265 HA ILE 39 HA ILE 39 56.371 2.294 -3.111
266 HB ILE 39 HB ILE 39 54.777 3.500 -0.855
267 1HG1 ILE 39 2HG1 ILE 39 54.925 4.976 -3.370
268 2HG1 ILE 39 1HG1 ILE 39 54.113 3.427 -3.538
269 1HG2 ILE 39 3HG2 ILE 39 57.422 3.974 -1.840
270 2HG2 ILE 39 2HG2 ILE 39 56.416 5.393 -2.130
271 3HG2 ILE 39 1HG2 ILE 39 56.578 4.746 -0.498
272 1HD1 ILE 39 2HD1 ILE 39 53.127 4.542 -1.153
273 2HD1 ILE 39 1HD1 ILE 39 53.151 5.859 -2.328
274 3HD1 ILE 39 3HD1 ILE 39 52.271 4.373 -2.687
275 H LYS 40 H LYS 40 55.046 0.820 -0.209
276 HA LYS 40 HA LYS 40 57.325 0.988 1.433
277 1HB LYS 40 2HB LYS 40 54.818 0.201 1.858
278 2HB LYS 40 1HB LYS 40 55.536 -1.381 1.581
279 1HG LYS 40 2HG LYS 40 56.047 -1.304 3.769
280 2HG LYS 40 1HG LYS 40 57.345 -0.224 3.272
281 1HD LYS 40 2HD LYS 40 54.632 0.923 3.766
282 2HD LYS 40 1HD LYS 40 55.616 0.477 5.158
283 1HE LYS 40 2HE LYS 40 56.144 2.563 3.051
284 2HE LYS 40 1HE LYS 40 56.160 2.736 4.804
285 1HZ LYS 40 3HZ LYS 40 58.111 1.046 4.612
286 2HZ LYS 40 2HZ LYS 40 58.220 1.650 3.028
287 3HZ LYS 40 1HZ LYS 40 58.373 2.701 4.353
288 H LEU 41 H LEU 41 56.151 -1.579 -0.719
289 HA LEU 41 HA LEU 41 58.224 -3.419 -0.334
290 1HB LEU 41 2HB LEU 41 56.224 -2.889 -2.478
291 2HB LEU 41 1HB LEU 41 57.543 -3.993 -2.838
292 HG LEU 41 HG LEU 41 55.611 -4.220 -0.525
293 1HD1 LEU 41 1HD1 LEU 41 54.625 -4.711 -2.738
294 2HD1 LEU 41 3HD1 LEU 41 55.863 -5.943 -2.991
295 3HD1 LEU 41 2HD1 LEU 41 54.687 -6.129 -1.688
296 1HD2 LEU 41 2HD2 LEU 41 58.191 -5.460 -0.990
297 2HD2 LEU 41 1HD2 LEU 41 57.152 -5.525 0.434
298 3HD2 LEU 41 3HD2 LEU 41 56.906 -6.663 -0.890
299 H PHE 42 H PHE 42 58.074 -0.495 -2.211
300 HA PHE 42 HA PHE 42 60.304 -1.014 -3.912
301 1HB PHE 42 2HB PHE 42 58.370 0.766 -4.053
302 2HB PHE 42 1HB PHE 42 59.503 1.755 -3.142
303 HD1 PHE 42 HD1 PHE 42 59.376 -0.434 -6.166
304 HD2 PHE 42 HD2 PHE 42 61.041 3.028 -4.302
305 HE1 PHE 42 HE1 PHE 42 60.561 0.121 -8.255
306 HE2 PHE 42 HE2 PHE 42 62.226 3.583 -6.391
307 HZ PHE 42 HZ PHE 42 61.986 2.129 -8.368
308 H LYS 43 H LYS 43 59.911 0.724 -0.842
309 HA LYS 43 HA LYS 43 62.533 1.708 -0.642
310 1HB LYS 43 2HB LYS 43 60.470 1.044 1.442
311 2HB LYS 43 1HB LYS 43 62.015 1.792 1.840
312 1HG LYS 43 2HG LYS 43 60.343 3.002 -0.331
313 2HG LYS 43 1HG LYS 43 59.855 3.264 1.332
314 1HD LYS 43 2HD LYS 43 61.455 4.802 1.674
315 2HD LYS 43 1HD LYS 43 62.705 3.780 0.980
316 1HE LYS 43 2HE LYS 43 62.020 6.084 -0.133
317 2HE LYS 43 1HE LYS 43 62.491 4.701 -1.114
318 1HZ LYS 43 2HZ LYS 43 59.665 5.016 -0.400
319 2HZ LYS 43 1HZ LYS 43 60.311 6.033 -1.597
320 3HZ LYS 43 3HZ LYS 43 60.361 4.350 -1.799
321 H LYS 44 H LYS 44 61.103 -1.349 0.382
322 HA LYS 44 HA LYS 44 63.244 -2.325 1.906
323 1HB LYS 44 2HB LYS 44 60.914 -3.269 1.764
324 2HB LYS 44 1HB LYS 44 61.353 -3.976 0.226
325 1HG LYS 44 2HG LYS 44 62.910 -4.515 2.761
326 2HG LYS 44 1HG LYS 44 61.506 -5.479 2.285
327 1HD LYS 44 2HD LYS 44 64.144 -5.207 0.796
328 2HD LYS 44 1HD LYS 44 63.452 -6.700 1.443
329 1HE LYS 44 2HE LYS 44 62.439 -5.072 -0.906
330 2HE LYS 44 1HE LYS 44 63.133 -6.687 -0.948
331 1HZ LYS 44 3HZ LYS 44 61.239 -7.411 0.455
332 2HZ LYS 44 2HZ LYS 44 60.550 -5.870 0.259
333 3HZ LYS 44 1HZ LYS 44 60.787 -6.876 -1.089
334 H PHE 45 H PHE 45 62.479 -2.860 -1.533
335 HA PHE 45 HA PHE 45 64.841 -4.369 -2.058
336 1HB PHE 45 2HB PHE 45 62.649 -3.161 -3.662
337 2HB PHE 45 1HB PHE 45 64.145 -3.536 -4.486
338 HD1 PHE 45 HD2 PHE 45 65.066 -5.927 -4.339
339 HD2 PHE 45 HD1 PHE 45 61.057 -4.896 -3.207
340 HE1 PHE 45 HE2 PHE 45 64.392 -8.280 -4.531
341 HE2 PHE 45 HE1 PHE 45 60.408 -7.255 -3.407
342 HZ PHE 45 HZ PHE 45 62.068 -8.947 -4.068
343 H THR 46 H THR 46 64.102 -0.973 -1.996
344 HA THR 46 HA THR 46 66.562 -0.300 -3.412
345 HB THR 46 HB THR 46 65.697 1.962 -3.354
346 HG1 THR 46 HG1 THR 46 64.149 2.525 -2.041
347 1HG2 THR 46 2HG2 THR 46 64.076 -0.293 -4.379
348 2HG2 THR 46 1HG2 THR 46 63.318 1.302 -4.390
349 3HG2 THR 46 3HG2 THR 46 64.837 1.041 -5.249
350 H SER 47 H SER 47 65.659 -0.924 -0.239
351 HA SER 47 HA SER 47 67.705 0.923 0.822
352 1HB SER 47 2HB SER 47 65.323 -0.361 2.148
353 2HB SER 47 1HB SER 47 66.591 0.478 3.035
354 HG SER 47 HG SER 47 66.061 2.367 1.907
355 H LYS 48 H LYS 48 67.653 -2.072 -0.285
356 HA LYS 48 HA LYS 48 68.513 -3.713 1.808
357 1HB LYS 48 2HB LYS 48 68.759 -3.793 -1.168
358 2HB LYS 48 1HB LYS 48 69.696 -4.928 -0.203
359 1HG LYS 48 2HG LYS 48 66.744 -4.618 0.275
360 2HG LYS 48 1HG LYS 48 67.327 -5.608 -1.058
361 1HD LYS 48 2HD LYS 48 68.888 -6.526 0.972
362 2HD LYS 48 1HD LYS 48 67.414 -6.114 1.848
363 1HE LYS 48 2HE LYS 48 67.246 -8.406 1.143
364 2HE LYS 48 1HE LYS 48 66.123 -7.453 0.177
365 1HZ LYS 48 2HZ LYS 48 68.837 -8.293 -0.684
366 2HZ LYS 48 1HZ LYS 48 67.385 -9.037 -1.156
367 3HZ LYS 48 3HZ LYS 48 67.706 -7.438 -1.621
368 H ALA 49 H ALA 49 70.458 -2.099 -0.705
369 HA ALA 49 HA ALA 49 72.686 -1.564 -0.785
370 1HB ALA 49 1HB ALA 49 71.629 0.021 0.967
371 2HB ALA 49 3HB ALA 49 72.488 -0.966 2.151
372 3HB ALA 49 2HB ALA 49 73.388 -0.104 0.901
373 H SER 50 H SER 50 72.501 -4.210 -0.674
374 HA SER 50 HA SER 50 73.788 -5.459 1.525
375 1HB SER 50 2HB SER 50 72.352 -6.402 -0.514
376 2HB SER 50 1HB SER 50 73.958 -6.667 -1.183
377 HG SER 50 HG SER 50 74.294 -8.196 0.271
No H/Q in entry = 377
Start of MODEL 2
1 1H ALA 1 2H ALA 1 3.089 -12.854 17.955
2 2H ALA 1 1H ALA 1 4.269 -12.349 16.843
3 3H ALA 1 3H ALA 1 4.731 -13.168 18.255
4 HA ALA 1 HA ALA 1 4.500 -11.378 19.584
5 1HB ALA 1 2HB ALA 1 6.137 -10.791 17.778
6 2HB ALA 1 1HB ALA 1 4.825 -10.011 16.893
7 3HB ALA 1 3HB ALA 1 5.332 -9.374 18.459
8 H GLU 2 H GLU 2 3.173 -9.861 20.476
9 HA GLU 2 HA GLU 2 0.468 -9.885 19.998
10 1HB GLU 2 2HB GLU 2 2.163 -8.625 21.789
11 2HB GLU 2 1HB GLU 2 1.360 -7.290 20.965
12 1HG GLU 2 2HG GLU 2 -0.832 -8.352 21.457
13 2HG GLU 2 1HG GLU 2 0.011 -9.607 22.367
14 H GLY 3 H GLY 3 -0.773 -9.138 18.409
15 1HA GLY 3 2HA GLY 3 0.223 -7.667 16.217
16 2HA GLY 3 1HA GLY 3 -1.474 -7.994 16.547
17 H ASP 4 H ASP 4 1.111 -5.744 16.836
18 HA ASP 4 HA ASP 4 -0.719 -3.562 17.311
19 1HB ASP 4 2HB ASP 4 0.020 -4.664 19.587
20 2HB ASP 4 1HB ASP 4 1.498 -3.744 19.300
21 H ASP 5 H ASP 5 2.735 -4.136 17.860
22 HA ASP 5 HA ASP 5 3.683 -3.011 15.484
23 1HB ASP 5 2HB ASP 5 2.609 -0.962 16.521
24 2HB ASP 5 1HB ASP 5 3.843 -1.062 17.778
25 HA PRO 6 HA PRO 6 6.865 -4.935 18.179
26 1HB PRO 6 2HB PRO 6 7.382 -7.091 16.632
27 2HB PRO 6 1HB PRO 6 6.084 -7.048 17.835
28 1HG PRO 6 2HG PRO 6 5.910 -7.024 14.914
29 2HG PRO 6 1HG PRO 6 4.672 -7.422 16.115
30 1HD PRO 6 2HD PRO 6 5.013 -4.966 14.656
31 2HD PRO 6 1HD PRO 6 3.743 -5.388 15.823
32 H ALA 7 H ALA 7 6.842 -3.204 15.465
33 HA ALA 7 HA ALA 7 9.578 -3.834 14.608
34 1HB ALA 7 2HB ALA 7 7.298 -2.322 13.381
35 2HB ALA 7 1HB ALA 7 8.952 -2.043 12.831
36 3HB ALA 7 3HB ALA 7 8.243 -3.654 12.711
37 H LYS 8 H LYS 8 8.561 -2.267 17.100
38 HA LYS 8 HA LYS 8 9.278 0.427 16.854
39 1HB LYS 8 2HB LYS 8 9.391 0.418 19.259
40 2HB LYS 8 1HB LYS 8 8.037 -0.582 18.756
41 1HG LYS 8 2HG LYS 8 9.938 -2.464 18.851
42 2HG LYS 8 1HG LYS 8 10.609 -1.358 20.045
43 1HD LYS 8 2HD LYS 8 8.058 -2.947 20.113
44 2HD LYS 8 1HD LYS 8 9.276 -2.747 21.364
45 1HE LYS 8 2HE LYS 8 7.004 -0.924 20.617
46 2HE LYS 8 1HE LYS 8 7.474 -1.524 22.205
47 1HZ LYS 8 2HZ LYS 8 9.638 -0.089 21.376
48 2HZ LYS 8 1HZ LYS 8 8.323 0.833 20.824
49 3HZ LYS 8 3HZ LYS 8 8.448 0.437 22.468
50 H ALA 9 H ALA 9 11.177 -2.471 17.319
51 HA ALA 9 HA ALA 9 13.613 -1.117 18.020
52 1HB ALA 9 1HB ALA 9 12.694 -3.752 18.073
53 2HB ALA 9 3HB ALA 9 13.986 -3.751 16.870
54 3HB ALA 9 2HB ALA 9 14.307 -3.189 18.512
55 H ALA 10 H ALA 10 12.420 -2.752 15.092
56 HA ALA 10 HA ALA 10 14.640 -2.172 13.455
57 1HB ALA 10 3HB ALA 10 12.511 -3.728 13.122
58 2HB ALA 10 2HB ALA 10 11.916 -2.309 12.256
59 3HB ALA 10 1HB ALA 10 13.415 -3.091 11.746
60 H PHE 11 H PHE 11 11.898 -0.283 14.445
61 HA PHE 11 HA PHE 11 12.123 1.731 12.413
62 1HB PHE 11 2HB PHE 11 10.182 1.053 14.154
63 2HB PHE 11 1HB PHE 11 10.895 2.404 15.019
64 HD1 PHE 11 HD2 PHE 11 11.210 4.615 13.720
65 HD2 PHE 11 HD1 PHE 11 8.631 1.458 12.397
66 HE1 PHE 11 HE2 PHE 11 9.985 6.200 12.291
67 HE2 PHE 11 HE1 PHE 11 7.421 3.055 10.975
68 HZ PHE 11 HZ PHE 11 8.094 5.423 10.920
69 H ASN 12 H ASN 12 13.133 1.462 15.802
70 HA ASN 12 HA ASN 12 14.370 4.044 15.882
71 1HB ASN 12 2HB ASN 12 13.488 2.548 17.827
72 2HB ASN 12 1HB ASN 12 15.087 1.808 17.744
73 1HD2 ASN 12 2HD2 ASN 12 15.826 4.346 20.109
74 2HD2 ASN 12 1HD2 ASN 12 15.325 2.703 19.919
75 H SER 13 H SER 13 15.341 0.911 14.800
76 HA SER 13 HA SER 13 18.189 1.484 14.949
77 1HB SER 13 2HB SER 13 16.706 -0.851 14.908
78 2HB SER 13 1HB SER 13 17.403 -0.781 13.291
79 HG SER 13 HG SER 13 18.831 -0.572 15.743
80 H LEU 14 H LEU 14 15.602 1.481 12.588
81 HA LEU 14 HA LEU 14 17.022 1.560 10.204
82 1HB LEU 14 2HB LEU 14 14.611 1.403 10.234
83 2HB LEU 14 1HB LEU 14 14.485 2.984 10.996
84 HG LEU 14 HG LEU 14 15.578 3.986 8.976
85 1HD1 LEU 14 3HD1 LEU 14 15.328 1.164 7.932
86 2HD1 LEU 14 2HD1 LEU 14 15.455 2.560 6.864
87 3HD1 LEU 14 1HD1 LEU 14 16.764 2.189 7.986
88 1HD2 LEU 14 3HD2 LEU 14 12.935 2.560 8.703
89 2HD2 LEU 14 2HD2 LEU 14 13.245 4.275 8.999
90 3HD2 LEU 14 1HD2 LEU 14 13.573 3.579 7.412
91 H GLN 15 H GLN 15 16.291 4.143 12.489
92 HA GLN 15 HA GLN 15 17.260 6.316 10.976
93 1HB GLN 15 2HB GLN 15 15.864 6.613 12.949
94 2HB GLN 15 1HB GLN 15 17.127 5.933 13.969
95 1HG GLN 15 2HG GLN 15 17.460 8.213 14.257
96 2HG GLN 15 1HG GLN 15 18.594 7.851 12.955
97 1HE2 GLN 15 2HD2 GLN 15 17.137 10.532 11.247
98 2HE2 GLN 15 1HD2 GLN 15 18.524 9.907 12.063
99 H ALA 16 H ALA 16 18.846 4.065 13.178
100 HA ALA 16 HA ALA 16 21.416 5.418 12.873
101 1HB ALA 16 3HB ALA 16 20.479 3.074 14.515
102 2HB ALA 16 2HB ALA 16 22.179 3.536 14.404
103 3HB ALA 16 1HB ALA 16 21.000 4.662 15.079
104 H SER 17 H SER 17 19.889 3.792 10.719
105 HA SER 17 HA SER 17 22.072 1.920 10.050
106 1HB SER 17 2HB SER 17 20.535 0.586 8.915
107 2HB SER 17 1HB SER 17 19.624 1.125 10.321
108 HG SER 17 HG SER 17 18.569 1.329 8.173
109 H ALA 18 H ALA 18 22.322 4.710 9.622
110 HA ALA 18 HA ALA 18 21.870 5.124 6.758
111 1HB ALA 18 1HB ALA 18 21.779 6.820 8.925
112 2HB ALA 18 3HB ALA 18 23.346 7.189 8.201
113 3HB ALA 18 2HB ALA 18 21.875 7.318 7.234
114 H THR 19 H THR 19 23.592 3.089 7.153
115 HA THR 19 HA THR 19 26.315 4.155 6.866
116 HB THR 19 HB THR 19 27.048 1.853 7.096
117 HG1 THR 19 HG1 THR 19 25.646 0.187 7.108
118 1HG2 THR 19 1HG2 THR 19 25.279 3.113 9.096
119 2HG2 THR 19 3HG2 THR 19 25.563 1.387 9.332
120 3HG2 THR 19 2HG2 THR 19 26.928 2.506 9.267
121 H GLU 20 H GLU 20 24.175 4.414 4.823
122 HA GLU 20 HA GLU 20 25.016 2.663 2.674
123 1HB GLU 20 2HB GLU 20 22.717 4.206 3.278
124 2HB GLU 20 1HB GLU 20 23.377 4.812 1.765
125 1HG GLU 20 2HG GLU 20 22.530 1.984 2.405
126 2HG GLU 20 1HG GLU 20 21.820 3.076 1.220
127 H TYR 21 H TYR 21 26.083 5.552 3.987
128 HA TYR 21 HA TYR 21 27.293 6.415 1.440
129 1HB TYR 21 2HB TYR 21 26.536 7.894 3.936
130 2HB TYR 21 1HB TYR 21 27.726 8.552 2.824
131 HD1 TYR 21 HD2 TYR 21 27.059 9.282 0.574
132 HD2 TYR 21 HD1 TYR 21 24.206 7.700 3.336
133 HE1 TYR 21 HE2 TYR 21 25.223 10.148 -0.817
134 HE2 TYR 21 HE1 TYR 21 22.376 8.567 1.935
135 HH TYR 21 HH TYR 21 22.967 9.968 -1.214
136 H ILE 22 H ILE 22 27.976 5.175 4.599
137 HA ILE 22 HA ILE 22 30.787 5.939 4.489
138 HB ILE 22 HB ILE 22 29.130 4.404 6.489
139 1HG1 ILE 22 2HG1 ILE 22 28.874 6.961 6.210
140 2HG1 ILE 22 1HG1 ILE 22 29.140 6.344 7.849
141 1HG2 ILE 22 1HG2 ILE 22 32.072 5.110 6.620
142 2HG2 ILE 22 3HG2 ILE 22 31.124 4.574 8.009
143 3HG2 ILE 22 2HG2 ILE 22 31.359 3.495 6.630
144 1HD1 ILE 22 1HD1 ILE 22 31.715 6.850 6.798
145 2HD1 ILE 22 3HD1 ILE 22 30.715 8.232 6.343
146 3HD1 ILE 22 2HD1 ILE 22 30.853 7.758 8.036
147 H GLY 23 H GLY 23 28.943 3.486 3.168
148 1HA GLY 23 2HA GLY 23 30.807 1.311 3.547
149 2HA GLY 23 1HA GLY 23 29.366 1.299 2.530
150 H TYR 24 H TYR 24 30.287 3.867 1.251
151 HA TYR 24 HA TYR 24 31.790 2.659 -0.900
152 1HB TYR 24 2HB TYR 24 31.232 5.593 -0.579
153 2HB TYR 24 1HB TYR 24 31.462 4.683 -2.062
154 HD1 TYR 24 HD2 TYR 24 29.492 2.403 -0.715
155 HD2 TYR 24 HD1 TYR 24 29.222 6.555 -1.711
156 HE1 TYR 24 HE2 TYR 24 27.059 2.194 -0.956
157 HE2 TYR 24 HE1 TYR 24 26.783 6.327 -1.947
158 HH TYR 24 HH TYR 24 25.190 4.043 -2.529
159 H ALA 25 H ALA 25 32.486 4.662 1.860
160 HA ALA 25 HA ALA 25 34.996 5.677 1.042
161 1HB ALA 25 3HB ALA 25 33.652 5.250 3.684
162 2HB ALA 25 2HB ALA 25 35.346 5.746 3.624
163 3HB ALA 25 1HB ALA 25 34.102 6.761 2.890
164 H TRP 26 H TRP 26 34.020 2.513 1.874
165 HA TRP 26 HA TRP 26 36.603 1.631 2.842
166 1HB TRP 26 2HB TRP 26 33.895 0.556 2.645
167 2HB TRP 26 1HB TRP 26 35.131 -0.616 2.225
168 HD1 TRP 26 1HD TRP 26 33.378 0.761 5.171
169 HE1 TRP 26 1HE TRP 26 34.589 0.086 7.314
170 HE3 TRP 26 3HE TRP 26 37.792 -0.927 3.200
171 HZ2 TRP 26 2HZ TRP 26 37.052 -1.009 8.108
172 HZ3 TRP 26 3HZ TRP 26 39.538 -1.777 4.714
173 HH2 TRP 26 HH2 TRP 26 39.175 -1.820 7.146
174 H ALA 27 H ALA 27 34.560 0.926 0.009
175 HA ALA 27 HA ALA 27 36.176 -0.754 -1.412
176 1HB ALA 27 1HB ALA 27 33.869 0.101 -2.029
177 2HB ALA 27 3HB ALA 27 34.678 1.505 -2.725
178 3HB ALA 27 2HB ALA 27 35.001 -0.107 -3.367
179 H MET 28 H MET 28 36.559 2.734 -1.068
180 HA MET 28 HA MET 28 38.580 2.972 -3.077
181 1HB MET 28 2HB MET 28 37.625 4.740 -0.846
182 2HB MET 28 1HB MET 28 38.977 5.171 -1.856
183 1HG MET 28 2HG MET 28 36.116 4.842 -2.701
184 2HG MET 28 1HG MET 28 37.110 6.283 -2.772
185 1HE MET 28 2HE MET 28 37.716 7.187 -4.669
186 2HE MET 28 1HE MET 28 38.056 6.450 -6.234
187 3HE MET 28 3HE MET 28 36.390 6.561 -5.648
188 H VAL 29 H VAL 29 38.531 2.596 0.430
189 HA VAL 29 HA VAL 29 41.189 2.998 1.051
190 HB VAL 29 HB VAL 29 38.903 1.948 2.303
191 1HG1 VAL 29 1HG1 VAL 29 41.230 0.056 2.606
192 2HG1 VAL 29 3HG1 VAL 29 39.861 0.135 3.718
193 3HG1 VAL 29 2HG1 VAL 29 39.605 -0.324 2.033
194 1HG2 VAL 29 1HG2 VAL 29 41.643 2.592 3.388
195 2HG2 VAL 29 3HG2 VAL 29 40.277 3.697 3.222
196 3HG2 VAL 29 2HG2 VAL 29 40.199 2.364 4.375
197 H VAL 30 H VAL 30 39.662 -0.038 0.022
198 HA VAL 30 HA VAL 30 41.832 -1.728 0.014
199 HB VAL 30 HB VAL 30 39.587 -1.577 -1.991
200 1HG1 VAL 30 3HG1 VAL 30 41.481 -3.008 -2.670
201 2HG1 VAL 30 2HG1 VAL 30 41.284 -3.926 -1.176
202 3HG1 VAL 30 1HG1 VAL 30 39.997 -3.917 -2.383
203 1HG2 VAL 30 1HG2 VAL 30 39.674 -2.297 0.824
204 2HG2 VAL 30 3HG2 VAL 30 38.285 -2.019 -0.228
205 3HG2 VAL 30 2HG2 VAL 30 39.056 -3.606 -0.185
206 H VAL 31 H VAL 31 40.915 0.727 -2.338
207 HA VAL 31 HA VAL 31 42.932 -0.006 -4.241
208 HB VAL 31 HB VAL 31 41.144 2.401 -3.972
209 1HG1 VAL 31 2HG1 VAL 31 43.278 1.738 -5.926
210 2HG1 VAL 31 1HG1 VAL 31 41.805 2.502 -6.528
211 3HG1 VAL 31 3HG1 VAL 31 42.771 3.302 -5.288
212 1HG2 VAL 31 1HG2 VAL 31 40.929 -0.239 -5.321
213 2HG2 VAL 31 3HG2 VAL 31 39.680 0.748 -4.561
214 3HG2 VAL 31 2HG2 VAL 31 40.274 1.162 -6.171
215 H ILE 32 H ILE 32 42.672 2.072 -1.506
216 HA ILE 32 HA ILE 32 45.053 3.609 -2.127
217 HB ILE 32 HB ILE 32 43.380 3.468 0.380
218 1HG1 ILE 32 2HG1 ILE 32 43.431 5.483 -1.873
219 2HG1 ILE 32 1HG1 ILE 32 42.139 4.333 -1.539
220 1HG2 ILE 32 3HG2 ILE 32 45.732 4.218 0.735
221 2HG2 ILE 32 2HG2 ILE 32 45.435 5.536 -0.401
222 3HG2 ILE 32 1HG2 ILE 32 44.525 5.450 1.109
223 1HD1 ILE 32 2HD1 ILE 32 43.034 6.334 0.528
224 2HD1 ILE 32 1HD1 ILE 32 41.829 6.746 -0.694
225 3HD1 ILE 32 3HD1 ILE 32 41.514 5.440 0.451
226 H VAL 33 H VAL 33 44.221 0.699 -0.450
227 HA VAL 33 HA VAL 33 46.406 0.514 1.315
228 HB VAL 33 HB VAL 33 44.707 -1.605 0.008
229 1HG1 VAL 33 3HG1 VAL 33 46.987 -1.765 1.765
230 2HG1 VAL 33 2HG1 VAL 33 45.552 -2.491 2.493
231 3HG1 VAL 33 1HG1 VAL 33 46.122 -3.047 0.919
232 1HG2 VAL 33 2HG2 VAL 33 44.199 0.327 2.101
233 2HG2 VAL 33 1HG2 VAL 33 43.082 -0.775 1.293
234 3HG2 VAL 33 3HG2 VAL 33 44.010 -1.326 2.690
235 H GLY 34 H GLY 34 45.941 -0.343 -2.065
236 1HA GLY 34 2HA GLY 34 48.315 -1.890 -2.360
237 2HA GLY 34 1HA GLY 34 47.376 -1.170 -3.668
238 H ALA 35 H ALA 35 47.524 1.514 -2.995
239 HA ALA 35 HA ALA 35 49.884 2.377 -4.158
240 1HB ALA 35 3HB ALA 35 47.623 3.615 -3.375
241 2HB ALA 35 2HB ALA 35 48.716 4.164 -2.101
242 3HB ALA 35 1HB ALA 35 49.100 4.484 -3.795
243 H THR 36 H THR 36 49.259 1.407 -0.896
244 HA THR 36 HA THR 36 51.626 2.576 0.264
245 HB THR 36 HB THR 36 49.564 0.591 1.207
246 HG1 THR 36 HG1 THR 36 49.336 2.477 2.734
247 1HG2 THR 36 2HG2 THR 36 52.062 1.530 2.597
248 2HG2 THR 36 1HG2 THR 36 50.644 0.980 3.493
249 3HG2 THR 36 3HG2 THR 36 51.470 -0.121 2.388
250 H ILE 37 H ILE 37 50.620 -0.659 -0.812
251 HA ILE 37 HA ILE 37 52.894 -2.085 -0.021
252 HB ILE 37 HB ILE 37 51.144 -2.546 -2.428
253 1HG1 ILE 37 2HG1 ILE 37 50.924 -3.498 0.414
254 2HG1 ILE 37 1HG1 ILE 37 49.814 -2.423 -0.424
255 1HG2 ILE 37 2HG2 ILE 37 53.265 -3.801 -2.490
256 2HG2 ILE 37 1HG2 ILE 37 52.890 -4.480 -0.905
257 3HG2 ILE 37 3HG2 ILE 37 51.868 -4.861 -2.292
258 1HD1 ILE 37 2HD1 ILE 37 49.747 -4.517 -2.111
259 2HD1 ILE 37 1HD1 ILE 37 50.111 -5.371 -0.609
260 3HD1 ILE 37 3HD1 ILE 37 48.660 -4.373 -0.727
261 H GLY 38 H GLY 38 52.439 0.175 -2.593
262 1HA GLY 38 2HA GLY 38 54.712 -0.677 -4.163
263 2HA GLY 38 1HA GLY 38 53.750 0.782 -4.406
264 H ILE 39 H ILE 39 54.147 1.401 -1.460
265 HA ILE 39 HA ILE 39 56.693 2.805 -1.808
266 HB ILE 39 HB ILE 39 55.022 3.097 0.640
267 1HG1 ILE 39 2HG1 ILE 39 53.292 3.233 -0.975
268 2HG1 ILE 39 1HG1 ILE 39 53.701 4.871 -0.525
269 1HG2 ILE 39 3HG2 ILE 39 57.222 4.274 0.177
270 2HG2 ILE 39 2HG2 ILE 39 56.337 5.210 -1.031
271 3HG2 ILE 39 1HG2 ILE 39 55.861 5.286 0.665
272 1HD1 ILE 39 2HD1 ILE 39 55.179 4.954 -2.581
273 2HD1 ILE 39 1HD1 ILE 39 54.424 3.436 -3.075
274 3HD1 ILE 39 3HD1 ILE 39 53.444 4.888 -2.882
275 H LYS 40 H LYS 40 55.129 0.432 0.229
276 HA LYS 40 HA LYS 40 57.142 0.148 2.173
277 1HB LYS 40 2HB LYS 40 54.668 -0.850 1.878
278 2HB LYS 40 1HB LYS 40 55.599 -2.233 1.328
279 1HG LYS 40 2HG LYS 40 55.716 -2.750 3.516
280 2HG LYS 40 1HG LYS 40 56.954 -1.498 3.588
281 1HD LYS 40 2HD LYS 40 54.043 -0.828 3.896
282 2HD LYS 40 1HD LYS 40 54.987 -1.393 5.273
283 1HE LYS 40 2HE LYS 40 55.391 1.115 3.630
284 2HE LYS 40 1HE LYS 40 55.051 0.990 5.354
285 1HZ LYS 40 2HZ LYS 40 57.313 -0.418 5.159
286 2HZ LYS 40 1HZ LYS 40 57.562 0.754 3.954
287 3HZ LYS 40 3HZ LYS 40 57.244 1.234 5.547
288 H LEU 41 H LEU 41 56.474 -1.689 -0.794
289 HA LEU 41 HA LEU 41 58.655 -3.433 -0.706
290 1HB LEU 41 2HB LEU 41 57.002 -2.281 -2.932
291 2HB LEU 41 1HB LEU 41 58.360 -3.340 -3.287
292 HG LEU 41 HG LEU 41 55.953 -3.990 -1.582
293 1HD1 LEU 41 1HD1 LEU 41 55.541 -3.983 -4.008
294 2HD1 LEU 41 3HD1 LEU 41 56.854 -5.143 -4.223
295 3HD1 LEU 41 2HD1 LEU 41 55.411 -5.602 -3.316
296 1HD2 LEU 41 3HD2 LEU 41 58.566 -5.374 -1.909
297 2HD2 LEU 41 2HD2 LEU 41 57.475 -5.318 -0.521
298 3HD2 LEU 41 1HD2 LEU 41 57.112 -6.374 -1.886
299 H PHE 42 H PHE 42 58.411 -0.090 -1.660
300 HA PHE 42 HA PHE 42 60.921 0.104 -3.008
301 1HB PHE 42 2HB PHE 42 58.832 1.662 -3.058
302 2HB PHE 42 1HB PHE 42 59.579 2.410 -1.656
303 HD1 PHE 42 HD2 PHE 42 61.893 3.366 -1.873
304 HD2 PHE 42 HD1 PHE 42 59.599 2.099 -5.243
305 HE1 PHE 42 HE2 PHE 42 63.344 4.694 -3.360
306 HE2 PHE 42 HE1 PHE 42 61.049 3.428 -6.728
307 HZ PHE 42 HZ PHE 42 62.920 4.726 -5.787
308 H LYS 43 H LYS 43 59.888 0.255 0.299
309 HA LYS 43 HA LYS 43 62.388 1.421 1.227
310 1HB LYS 43 2HB LYS 43 59.887 0.507 2.619
311 2HB LYS 43 1HB LYS 43 61.303 1.086 3.491
312 1HG LYS 43 2HG LYS 43 60.145 2.755 1.279
313 2HG LYS 43 1HG LYS 43 59.343 2.738 2.836
314 1HD LYS 43 2HD LYS 43 60.830 4.186 3.686
315 2HD LYS 43 1HD LYS 43 62.173 3.148 3.247
316 1HE LYS 43 2HE LYS 43 61.083 5.536 1.858
317 2HE LYS 43 1HE LYS 43 62.742 4.975 2.009
318 1HZ LYS 43 1HZ LYS 43 61.952 3.113 0.437
319 2HZ LYS 43 3HZ LYS 43 60.685 4.175 0.067
320 3HZ LYS 43 2HZ LYS 43 62.293 4.647 -0.201
321 H LYS 44 H LYS 44 61.957 -1.450 0.027
322 HA LYS 44 HA LYS 44 63.207 -2.936 2.241
323 1HB LYS 44 2HB LYS 44 61.119 -3.886 1.343
324 2HB LYS 44 1HB LYS 44 61.840 -3.970 -0.253
325 1HG LYS 44 2HG LYS 44 63.583 -5.256 1.624
326 2HG LYS 44 1HG LYS 44 61.950 -5.895 1.810
327 1HD LYS 44 2HD LYS 44 62.088 -5.888 -0.874
328 2HD LYS 44 1HD LYS 44 63.803 -6.071 -0.522
329 1HE LYS 44 2HE LYS 44 62.268 -8.213 -0.804
330 2HE LYS 44 1HE LYS 44 63.551 -8.183 0.401
331 1HZ LYS 44 1HZ LYS 44 60.784 -7.362 1.048
332 2HZ LYS 44 3HZ LYS 44 61.275 -8.984 1.122
333 3HZ LYS 44 2HZ LYS 44 62.027 -7.824 2.110
334 H PHE 45 H PHE 45 63.365 -2.545 -1.290
335 HA PHE 45 HA PHE 45 65.798 -3.875 -1.716
336 1HB PHE 45 2HB PHE 45 64.168 -1.869 -3.181
337 2HB PHE 45 1HB PHE 45 65.829 -2.086 -3.681
338 HD1 PHE 45 HD2 PHE 45 66.632 -4.385 -4.388
339 HD2 PHE 45 HD1 PHE 45 62.486 -3.488 -3.760
340 HE1 PHE 45 HE2 PHE 45 65.993 -6.382 -5.668
341 HE2 PHE 45 HE1 PHE 45 61.870 -5.491 -5.039
342 HZ PHE 45 HZ PHE 45 63.618 -6.938 -5.994
343 H THR 46 H THR 46 65.078 -0.696 -0.519
344 HA THR 46 HA THR 46 67.824 0.213 -0.834
345 HB THR 46 HB THR 46 66.956 2.324 -0.026
346 HG1 THR 46 HG1 THR 46 65.437 1.783 1.452
347 1HG2 THR 46 1HG2 THR 46 65.791 0.875 -2.291
348 2HG2 THR 46 3HG2 THR 46 64.838 2.261 -1.755
349 3HG2 THR 46 2HG2 THR 46 66.523 2.481 -2.231
350 H SER 47 H SER 47 65.775 -1.198 1.560
351 HA SER 47 HA SER 47 67.103 -0.248 3.890
352 1HB SER 47 2HB SER 47 65.841 -1.876 5.068
353 2HB SER 47 1HB SER 47 64.807 -1.309 3.761
354 HG SER 47 HG SER 47 64.737 -3.546 3.752
355 H LYS 48 H LYS 48 67.797 -2.722 1.566
356 HA LYS 48 HA LYS 48 69.370 -4.504 2.948
357 1HB LYS 48 2HB LYS 48 69.897 -3.410 0.186
358 2HB LYS 48 1HB LYS 48 70.479 -4.943 0.825
359 1HG LYS 48 2HG LYS 48 67.664 -4.918 1.175
360 2HG LYS 48 1HG LYS 48 67.985 -4.353 -0.461
361 1HD LYS 48 2HD LYS 48 69.149 -6.875 0.729
362 2HD LYS 48 1HD LYS 48 67.715 -6.828 -0.292
363 1HE LYS 48 2HE LYS 48 69.055 -5.839 -2.111
364 2HE LYS 48 1HE LYS 48 70.487 -5.915 -1.088
365 1HZ LYS 48 2HZ LYS 48 68.931 -8.357 -1.588
366 2HZ LYS 48 1HZ LYS 48 69.999 -7.791 -2.781
367 3HZ LYS 48 3HZ LYS 48 70.585 -8.185 -1.240
368 H ALA 49 H ALA 49 70.324 -1.414 1.495
369 HA ALA 49 HA ALA 49 72.984 -1.306 1.787
370 1HB ALA 49 1HB ALA 49 71.461 0.548 1.027
371 2HB ALA 49 3HB ALA 49 71.217 0.946 2.729
372 3HB ALA 49 2HB ALA 49 72.829 1.065 2.017
373 H SER 50 H SER 50 74.231 -2.031 3.384
374 HA SER 50 HA SER 50 73.473 -2.315 6.074
375 1HB SER 50 2HB SER 50 75.612 -3.109 6.438
376 2HB SER 50 1HB SER 50 75.438 -3.370 4.706
377 HG SER 50 HG SER 50 76.650 -1.522 4.336
No H/Q in entry = 377
Start of MODEL 3
1 1H ALA 1 3H ALA 1 11.973 -20.069 23.925
2 2H ALA 1 2H ALA 1 10.375 -19.600 23.590
3 3H ALA 1 1H ALA 1 10.686 -20.806 24.747
4 HA ALA 1 HA ALA 1 11.029 -22.416 23.235
5 1HB ALA 1 3HB ALA 1 9.398 -20.384 21.676
6 2HB ALA 1 2HB ALA 1 9.544 -22.089 21.243
7 3HB ALA 1 1HB ALA 1 8.763 -21.626 22.760
8 H GLU 2 H GLU 2 11.139 -19.589 21.076
9 HA GLU 2 HA GLU 2 13.831 -19.603 20.452
10 1HB GLU 2 2HB GLU 2 13.775 -20.777 18.234
11 2HB GLU 2 1HB GLU 2 13.649 -21.840 19.631
12 1HG GLU 2 2HG GLU 2 11.634 -22.583 18.981
13 2HG GLU 2 1HG GLU 2 11.033 -20.939 18.763
14 H GLY 3 H GLY 3 12.074 -17.614 20.765
15 1HA GLY 3 2HA GLY 3 11.321 -15.656 19.832
16 2HA GLY 3 1HA GLY 3 12.386 -16.020 18.475
17 H ASP 4 H ASP 4 9.192 -15.705 19.480
18 HA ASP 4 HA ASP 4 8.133 -17.239 17.202
19 1HB ASP 4 2HB ASP 4 7.237 -16.816 19.886
20 2HB ASP 4 1HB ASP 4 6.035 -16.172 18.768
21 H ASP 5 H ASP 5 7.380 -14.210 18.885
22 HA ASP 5 HA ASP 5 5.947 -12.950 16.888
23 1HB ASP 5 2HB ASP 5 6.598 -12.252 19.365
24 2HB ASP 5 1HB ASP 5 7.824 -11.307 18.519
25 HA PRO 6 HA PRO 6 9.033 -12.011 13.850
26 1HB PRO 6 2HB PRO 6 7.624 -10.260 12.348
27 2HB PRO 6 1HB PRO 6 7.321 -12.003 12.356
28 1HG PRO 6 2HG PRO 6 5.732 -9.826 13.516
29 2HG PRO 6 1HG PRO 6 5.238 -11.460 13.046
30 1HD PRO 6 2HD PRO 6 5.794 -10.499 15.671
31 2HD PRO 6 1HD PRO 6 5.384 -12.154 15.186
32 H ALA 7 H ALA 7 8.531 -10.084 16.354
33 HA ALA 7 HA ALA 7 9.087 -7.459 15.644
34 1HB ALA 7 1HB ALA 7 9.915 -9.051 18.071
35 2HB ALA 7 3HB ALA 7 10.165 -7.310 17.920
36 3HB ALA 7 2HB ALA 7 8.528 -7.971 17.910
37 H LYS 8 H LYS 8 11.141 -10.247 15.591
38 HA LYS 8 HA LYS 8 13.686 -9.202 15.791
39 1HB LYS 8 2HB LYS 8 12.497 -11.444 14.196
40 2HB LYS 8 1HB LYS 8 14.195 -11.024 14.001
41 1HG LYS 8 2HG LYS 8 12.804 -11.874 16.556
42 2HG LYS 8 1HG LYS 8 14.018 -12.800 15.676
43 1HD LYS 8 2HD LYS 8 14.358 -10.315 17.351
44 2HD LYS 8 1HD LYS 8 15.217 -11.845 17.459
45 1HE LYS 8 2HE LYS 8 15.585 -9.628 15.441
46 2HE LYS 8 1HE LYS 8 16.775 -10.315 16.544
47 1HZ LYS 8 2HZ LYS 8 15.841 -12.404 14.982
48 2HZ LYS 8 1HZ LYS 8 16.126 -11.112 13.917
49 3HZ LYS 8 3HZ LYS 8 17.371 -11.670 14.924
50 H ALA 9 H ALA 9 11.341 -8.788 13.273
51 HA ALA 9 HA ALA 9 12.868 -8.152 11.060
52 1HB ALA 9 3HB ALA 9 10.284 -6.923 12.032
53 2HB ALA 9 2HB ALA 9 10.969 -6.640 10.430
54 3HB ALA 9 1HB ALA 9 10.471 -8.267 10.903
55 H ALA 10 H ALA 10 11.464 -5.677 13.200
56 HA ALA 10 HA ALA 10 12.883 -3.489 12.340
57 1HB ALA 10 2HB ALA 10 11.225 -4.132 14.544
58 2HB ALA 10 1HB ALA 10 12.657 -3.324 15.185
59 3HB ALA 10 3HB ALA 10 11.676 -2.532 13.951
60 H PHE 11 H PHE 11 13.831 -5.700 14.968
61 HA PHE 11 HA PHE 11 16.240 -4.473 15.662
62 1HB PHE 11 2HB PHE 11 14.973 -6.419 16.779
63 2HB PHE 11 1HB PHE 11 15.876 -7.451 15.683
64 HD1 PHE 11 HD2 PHE 11 18.403 -7.440 15.768
65 HD2 PHE 11 HD1 PHE 11 16.004 -5.486 18.734
66 HE1 PHE 11 HE2 PHE 11 20.324 -7.382 17.298
67 HE2 PHE 11 HE1 PHE 11 17.938 -5.436 20.250
68 HZ PHE 11 HZ PHE 11 20.096 -6.383 19.536
69 H ASN 12 H ASN 12 15.532 -6.836 13.130
70 HA ASN 12 HA ASN 12 18.271 -7.207 12.362
71 1HB ASN 12 2HB ASN 12 16.116 -8.691 11.950
72 2HB ASN 12 1HB ASN 12 16.040 -7.745 10.463
73 1HD2 ASN 12 2HD2 ASN 12 18.372 -10.865 10.465
74 2HD2 ASN 12 1HD2 ASN 12 16.925 -10.611 11.375
75 H SER 13 H SER 13 15.811 -4.900 11.626
76 HA SER 13 HA SER 13 16.811 -3.990 9.119
77 1HB SER 13 2HB SER 13 15.390 -2.046 10.787
78 2HB SER 13 1HB SER 13 15.023 -2.626 9.161
79 HG SER 13 HG SER 13 13.493 -3.707 10.138
80 H LEU 14 H LEU 14 17.727 -3.429 12.405
81 HA LEU 14 HA LEU 14 19.113 -0.945 11.790
82 1HB LEU 14 2HB LEU 14 19.530 -2.361 14.370
83 2HB LEU 14 1HB LEU 14 19.393 -0.638 14.043
84 HG LEU 14 HG LEU 14 17.122 -2.643 14.017
85 1HD1 LEU 14 2HD1 LEU 14 17.894 -0.503 16.004
86 2HD1 LEU 14 1HD1 LEU 14 16.309 -1.274 15.971
87 3HD1 LEU 14 3HD1 LEU 14 17.752 -2.241 16.287
88 1HD2 LEU 14 3HD2 LEU 14 16.871 -0.766 12.379
89 2HD2 LEU 14 2HD2 LEU 14 15.633 -0.785 13.635
90 3HD2 LEU 14 1HD2 LEU 14 16.967 0.365 13.730
91 H GLN 15 H GLN 15 19.883 -4.272 12.692
92 HA GLN 15 HA GLN 15 22.718 -3.885 12.661
93 1HB GLN 15 2HB GLN 15 21.608 -5.626 14.004
94 2HB GLN 15 1HB GLN 15 21.093 -6.427 12.526
95 1HG GLN 15 2HG GLN 15 23.661 -6.371 11.963
96 2HG GLN 15 1HG GLN 15 23.830 -6.209 13.710
97 1HE2 GLN 15 2HD2 GLN 15 23.933 -9.783 13.273
98 2HE2 GLN 15 1HD2 GLN 15 24.926 -8.376 13.135
99 H ALA 16 H ALA 16 20.294 -4.873 10.347
100 HA ALA 16 HA ALA 16 22.334 -5.553 8.352
101 1HB ALA 16 1HB ALA 16 20.183 -6.914 8.806
102 2HB ALA 16 3HB ALA 16 19.369 -5.638 7.897
103 3HB ALA 16 2HB ALA 16 20.639 -6.597 7.130
104 H SER 17 H SER 17 21.524 -2.745 9.380
105 HA SER 17 HA SER 17 21.584 -1.499 6.748
106 1HB SER 17 2HB SER 17 19.139 -1.839 7.580
107 2HB SER 17 1HB SER 17 19.512 -0.514 8.674
108 HG SER 17 HG SER 17 19.911 0.799 6.906
109 H ALA 18 H ALA 18 23.318 -1.761 9.152
110 HA ALA 18 HA ALA 18 23.467 1.034 10.060
111 1HB ALA 18 1HB ALA 18 24.233 -1.571 11.191
112 2HB ALA 18 3HB ALA 18 25.423 -0.290 11.430
113 3HB ALA 18 2HB ALA 18 23.769 -0.074 12.006
114 H THR 19 H THR 19 25.671 -1.539 8.955
115 HA THR 19 HA THR 19 27.553 0.518 8.038
116 HB THR 19 HB THR 19 28.302 -1.406 9.491
117 HG1 THR 19 HG1 THR 19 29.638 -1.371 7.005
118 1HG2 THR 19 3HG2 THR 19 27.158 -2.938 7.309
119 2HG2 THR 19 2HG2 THR 19 28.864 -3.324 7.520
120 3HG2 THR 19 1HG2 THR 19 27.749 -3.496 8.875
121 H GLU 20 H GLU 20 25.056 -0.023 6.644
122 HA GLU 20 HA GLU 20 25.739 -1.456 4.236
123 1HB GLU 20 2HB GLU 20 23.405 -1.066 5.446
124 2HB GLU 20 1HB GLU 20 23.371 0.340 4.391
125 1HG GLU 20 2HG GLU 20 23.897 -1.294 2.476
126 2HG GLU 20 1HG GLU 20 23.457 -2.572 3.614
127 H TYR 21 H TYR 21 26.047 1.713 5.393
128 HA TYR 21 HA TYR 21 26.342 2.836 2.692
129 1HB TYR 21 2HB TYR 21 26.016 4.112 5.403
130 2HB TYR 21 1HB TYR 21 26.463 5.024 3.971
131 HD1 TYR 21 HD1 TYR 21 24.865 5.175 2.057
132 HD2 TYR 21 HD2 TYR 21 23.782 3.371 5.779
133 HE1 TYR 21 HE1 TYR 21 22.482 5.359 1.460
134 HE2 TYR 21 HE2 TYR 21 21.403 3.559 5.171
135 HH TYR 21 HH TYR 21 20.359 5.281 2.308
136 H ILE 22 H ILE 22 28.153 1.860 5.474
137 HA ILE 22 HA ILE 22 30.507 3.385 4.667
138 HB ILE 22 HB ILE 22 29.974 1.482 6.947
139 1HG1 ILE 22 2HG1 ILE 22 28.911 3.843 6.899
140 2HG1 ILE 22 1HG1 ILE 22 29.780 3.368 8.368
141 1HG2 ILE 22 3HG2 ILE 22 32.493 3.017 6.281
142 2HG2 ILE 22 2HG2 ILE 22 32.170 2.328 7.872
143 3HG2 ILE 22 1HG2 ILE 22 32.308 1.272 6.464
144 1HD1 ILE 22 2HD1 ILE 22 31.720 4.594 6.734
145 2HD1 ILE 22 1HD1 ILE 22 30.276 5.597 6.591
146 3HD1 ILE 22 3HD1 ILE 22 30.959 5.254 8.179
147 H GLY 23 H GLY 23 29.125 0.514 3.713
148 1HA GLY 23 2HA GLY 23 31.449 -1.149 3.526
149 2HA GLY 23 1HA GLY 23 29.897 -1.424 2.740
150 H TYR 24 H TYR 24 30.166 1.448 1.663
151 HA TYR 24 HA TYR 24 31.458 0.686 -0.816
152 1HB TYR 24 2HB TYR 24 30.007 3.172 0.075
153 2HB TYR 24 1HB TYR 24 30.727 2.996 -1.516
154 HD1 TYR 24 HD2 TYR 24 29.997 0.929 -2.904
155 HD2 TYR 24 HD1 TYR 24 27.786 2.433 0.440
156 HE1 TYR 24 HE2 TYR 24 27.973 -0.215 -3.713
157 HE2 TYR 24 HE1 TYR 24 25.777 1.284 -0.382
158 HH TYR 24 HH TYR 24 24.859 0.378 -2.387
159 H ALA 25 H ALA 25 32.220 2.522 2.016
160 HA ALA 25 HA ALA 25 34.299 4.125 0.880
161 1HB ALA 25 2HB ALA 25 33.014 4.562 3.037
162 2HB ALA 25 1HB ALA 25 34.052 3.341 3.778
163 3HB ALA 25 3HB ALA 25 34.761 4.807 3.097
164 H TRP 26 H TRP 26 34.096 0.843 1.887
165 HA TRP 26 HA TRP 26 36.829 0.436 2.584
166 1HB TRP 26 2HB TRP 26 34.434 -1.177 2.295
167 2HB TRP 26 1HB TRP 26 35.847 -1.989 1.645
168 HD1 TRP 26 1HD TRP 26 34.086 -1.426 4.843
169 HE1 TRP 26 1HE TRP 26 35.562 -2.103 6.806
170 HE3 TRP 26 3HE TRP 26 38.581 -1.897 2.441
171 HZ2 TRP 26 2HZ TRP 26 38.241 -2.765 7.316
172 HZ3 TRP 26 3HZ TRP 26 40.568 -2.564 3.735
173 HH2 TRP 26 HH2 TRP 26 40.403 -2.994 6.151
174 H ALA 27 H ALA 27 35.092 0.611 -0.408
175 HA ALA 27 HA ALA 27 36.951 -0.806 -2.030
176 1HB ALA 27 3HB ALA 27 34.531 0.777 -2.409
177 2HB ALA 27 2HB ALA 27 35.712 1.014 -3.701
178 3HB ALA 27 1HB ALA 27 35.128 -0.609 -3.324
179 H MET 28 H MET 28 36.394 2.687 -1.566
180 HA MET 28 HA MET 28 38.539 3.573 -3.122
181 1HB MET 28 2HB MET 28 36.515 4.759 -1.593
182 2HB MET 28 1HB MET 28 38.006 5.283 -0.828
183 1HG MET 28 2HG MET 28 37.162 6.824 -2.598
184 2HG MET 28 1HG MET 28 38.799 6.255 -2.864
185 1HE MET 28 3HE MET 28 39.415 6.286 -5.035
186 2HE MET 28 2HE MET 28 38.531 5.769 -6.469
187 3HE MET 28 1HE MET 28 38.089 7.274 -5.666
188 H VAL 29 H VAL 29 38.361 2.467 0.191
189 HA VAL 29 HA VAL 29 40.913 3.401 1.024
190 HB VAL 29 HB VAL 29 39.185 1.150 2.046
191 1HG1 VAL 29 3HG1 VAL 29 41.860 1.936 2.736
192 2HG1 VAL 29 2HG1 VAL 29 40.775 2.194 4.104
193 3HG1 VAL 29 1HG1 VAL 29 40.893 0.599 3.358
194 1HG2 VAL 29 1HG2 VAL 29 38.666 3.845 2.060
195 2HG2 VAL 29 3HG2 VAL 29 37.994 2.668 3.190
196 3HG2 VAL 29 2HG2 VAL 29 39.430 3.594 3.632
197 H VAL 30 H VAL 30 39.745 0.213 -0.067
198 HA VAL 30 HA VAL 30 42.082 -1.226 0.085
199 HB VAL 30 HB VAL 30 39.641 -1.832 -0.679
200 1HG1 VAL 30 3HG1 VAL 30 40.327 -0.552 -2.941
201 2HG1 VAL 30 2HG1 VAL 30 40.824 -2.192 -3.356
202 3HG1 VAL 30 1HG1 VAL 30 39.154 -1.869 -2.885
203 1HG2 VAL 30 1HG2 VAL 30 42.206 -3.202 -1.417
204 2HG2 VAL 30 3HG2 VAL 30 41.118 -3.536 -0.069
205 3HG2 VAL 30 2HG2 VAL 30 40.632 -3.944 -1.716
206 H VAL 31 H VAL 31 41.197 1.235 -2.203
207 HA VAL 31 HA VAL 31 43.282 0.665 -4.079
208 HB VAL 31 HB VAL 31 41.517 3.069 -3.671
209 1HG1 VAL 31 3HG1 VAL 31 43.494 2.408 -5.832
210 2HG1 VAL 31 2HG1 VAL 31 42.173 3.554 -6.070
211 3HG1 VAL 31 1HG1 VAL 31 43.399 3.861 -4.838
212 1HG2 VAL 31 1HG2 VAL 31 41.236 0.509 -5.125
213 2HG2 VAL 31 3HG2 VAL 31 40.001 1.557 -4.424
214 3HG2 VAL 31 2HG2 VAL 31 40.709 1.955 -5.991
215 H ILE 32 H ILE 32 42.934 2.524 -1.200
216 HA ILE 32 HA ILE 32 45.354 4.074 -1.620
217 HB ILE 32 HB ILE 32 43.540 3.815 0.776
218 1HG1 ILE 32 2HG1 ILE 32 43.772 5.986 -1.313
219 2HG1 ILE 32 1HG1 ILE 32 42.464 4.812 -1.196
220 1HG2 ILE 32 1HG2 ILE 32 45.851 4.487 1.355
221 2HG2 ILE 32 3HG2 ILE 32 45.707 5.847 0.240
222 3HG2 ILE 32 2HG2 ILE 32 44.669 5.760 1.664
223 1HD1 ILE 32 1HD1 ILE 32 42.656 5.958 1.357
224 2HD1 ILE 32 3HD1 ILE 32 42.816 7.304 0.227
225 3HD1 ILE 32 2HD1 ILE 32 41.401 6.252 0.152
226 H VAL 33 H VAL 33 44.437 1.055 -0.222
227 HA VAL 33 HA VAL 33 46.625 0.787 1.588
228 HB VAL 33 HB VAL 33 44.611 -1.097 0.385
229 1HG1 VAL 33 2HG1 VAL 33 46.907 -1.705 2.212
230 2HG1 VAL 33 1HG1 VAL 33 45.446 -2.696 2.188
231 3HG1 VAL 33 3HG1 VAL 33 46.422 -2.526 0.728
232 1HG2 VAL 33 1HG2 VAL 33 44.331 0.732 2.367
233 2HG2 VAL 33 3HG2 VAL 33 43.381 -0.750 2.240
234 3HG2 VAL 33 2HG2 VAL 33 44.797 -0.698 3.293
235 H GLY 34 H GLY 34 46.097 0.268 -1.807
236 1HA GLY 34 2HA GLY 34 48.282 -1.524 -2.262
237 2HA GLY 34 1HA GLY 34 47.404 -0.613 -3.491
238 H ALA 35 H ALA 35 47.823 1.951 -2.969
239 HA ALA 35 HA ALA 35 50.328 2.582 -3.929
240 1HB ALA 35 2HB ALA 35 48.322 4.118 -3.678
241 2HB ALA 35 1HB ALA 35 48.819 4.345 -2.000
242 3HB ALA 35 3HB ALA 35 49.891 4.840 -3.312
243 H THR 36 H THR 36 49.337 1.858 -0.685
244 HA THR 36 HA THR 36 51.648 2.812 0.692
245 HB THR 36 HB THR 36 49.516 0.782 1.355
246 HG1 THR 36 HG1 THR 36 48.550 2.644 1.625
247 1HG2 THR 36 3HG2 THR 36 51.921 1.631 2.913
248 2HG2 THR 36 2HG2 THR 36 50.420 1.256 3.761
249 3HG2 THR 36 1HG2 THR 36 51.194 0.030 2.752
250 H ILE 37 H ILE 37 50.681 -0.291 -0.701
251 HA ILE 37 HA ILE 37 52.898 -1.810 0.167
252 HB ILE 37 HB ILE 37 51.155 -2.118 -2.272
253 1HG1 ILE 37 2HG1 ILE 37 50.993 -3.314 0.479
254 2HG1 ILE 37 1HG1 ILE 37 49.870 -2.164 -0.233
255 1HG2 ILE 37 1HG2 ILE 37 53.530 -3.488 -1.568
256 2HG2 ILE 37 3HG2 ILE 37 52.181 -4.592 -1.296
257 3HG2 ILE 37 2HG2 ILE 37 52.409 -3.853 -2.883
258 1HD1 ILE 37 3HD1 ILE 37 49.755 -4.087 -2.105
259 2HD1 ILE 37 2HD1 ILE 37 50.157 -5.082 -0.704
260 3HD1 ILE 37 1HD1 ILE 37 48.705 -4.078 -0.687
261 H GLY 38 H GLY 38 52.325 0.199 -2.666
262 1HA GLY 38 2HA GLY 38 54.540 -0.432 -4.228
263 2HA GLY 38 1HA GLY 38 53.754 1.148 -4.190
264 H ILE 39 H ILE 39 54.263 2.374 -2.077
265 HA ILE 39 HA ILE 39 56.966 3.079 -2.125
266 HB ILE 39 HB ILE 39 54.951 3.520 0.075
267 1HG1 ILE 39 2HG1 ILE 39 55.531 5.741 -1.728
268 2HG1 ILE 39 1HG1 ILE 39 54.807 4.366 -2.552
269 1HG2 ILE 39 3HG2 ILE 39 57.717 4.356 -0.318
270 2HG2 ILE 39 2HG2 ILE 39 56.611 5.694 -0.004
271 3HG2 ILE 39 1HG2 ILE 39 56.726 4.357 1.141
272 1HD1 ILE 39 2HD1 ILE 39 53.414 4.758 -0.096
273 2HD1 ILE 39 1HD1 ILE 39 53.526 6.314 -0.923
274 3HD1 ILE 39 3HD1 ILE 39 52.801 4.929 -1.744
275 H LYS 40 H LYS 40 55.175 1.025 0.169
276 HA LYS 40 HA LYS 40 57.176 0.543 2.017
277 1HB LYS 40 2HB LYS 40 54.661 -0.231 1.853
278 2HB LYS 40 1HB LYS 40 55.386 -1.681 1.167
279 1HG LYS 40 2HG LYS 40 55.644 -2.351 3.293
280 2HG LYS 40 1HG LYS 40 56.963 -1.183 3.370
281 1HD LYS 40 2HD LYS 40 54.157 -0.274 3.856
282 2HD LYS 40 1HD LYS 40 55.019 -1.114 5.142
283 1HE LYS 40 2HE LYS 40 55.670 1.527 3.837
284 2HE LYS 40 1HE LYS 40 55.441 1.173 5.549
285 1HZ LYS 40 2HZ LYS 40 57.488 -0.365 5.156
286 2HZ LYS 40 1HZ LYS 40 57.781 0.690 3.857
287 3HZ LYS 40 3HZ LYS 40 57.692 1.297 5.437
288 H LEU 41 H LEU 41 56.560 -0.988 -1.102
289 HA LEU 41 HA LEU 41 58.491 -3.041 -0.904
290 1HB LEU 41 2HB LEU 41 57.076 -1.680 -3.165
291 2HB LEU 41 1HB LEU 41 58.382 -2.807 -3.509
292 HG LEU 41 HG LEU 41 55.870 -3.387 -1.933
293 1HD1 LEU 41 3HD1 LEU 41 55.670 -3.177 -4.437
294 2HD1 LEU 41 2HD1 LEU 41 56.735 -4.579 -4.560
295 3HD1 LEU 41 1HD1 LEU 41 55.168 -4.728 -3.762
296 1HD2 LEU 41 2HD2 LEU 41 58.405 -4.893 -2.230
297 2HD2 LEU 41 1HD2 LEU 41 57.220 -4.908 -0.922
298 3HD2 LEU 41 3HD2 LEU 41 56.916 -5.821 -2.400
299 H PHE 42 H PHE 42 58.622 0.165 -2.435
300 HA PHE 42 HA PHE 42 61.140 0.240 -3.477
301 1HB PHE 42 2HB PHE 42 59.360 2.079 -3.345
302 2HB PHE 42 1HB PHE 42 60.103 2.511 -1.812
303 HD1 PHE 42 HD2 PHE 42 62.571 3.092 -1.795
304 HD2 PHE 42 HD1 PHE 42 60.273 2.792 -5.381
305 HE1 PHE 42 HE2 PHE 42 64.275 4.405 -2.998
306 HE2 PHE 42 HE1 PHE 42 61.979 4.104 -6.584
307 HZ PHE 42 HZ PHE 42 63.980 4.910 -5.392
308 H LYS 43 H LYS 43 60.251 0.363 -0.092
309 HA LYS 43 HA LYS 43 62.945 0.960 0.783
310 1HB LYS 43 2HB LYS 43 60.490 0.195 2.354
311 2HB LYS 43 1HB LYS 43 62.002 0.775 3.049
312 1HG LYS 43 2HG LYS 43 60.736 2.444 0.922
313 2HG LYS 43 1HG LYS 43 59.946 2.410 2.484
314 1HD LYS 43 2HD LYS 43 61.548 3.649 3.493
315 2HD LYS 43 1HD LYS 43 62.858 2.880 2.608
316 1HE LYS 43 2HE LYS 43 62.139 5.427 2.203
317 2HE LYS 43 1HE LYS 43 62.806 4.421 0.922
318 1HZ LYS 43 2HZ LYS 43 59.901 4.448 1.375
319 2HZ LYS 43 1HZ LYS 43 60.624 5.746 0.551
320 3HZ LYS 43 3HZ LYS 43 60.765 4.170 -0.061
321 H LYS 44 H LYS 44 60.691 -1.756 1.338
322 HA LYS 44 HA LYS 44 62.431 -3.490 2.584
323 1HB LYS 44 2HB LYS 44 59.836 -3.624 1.777
324 2HB LYS 44 1HB LYS 44 60.570 -4.727 0.635
325 1HG LYS 44 2HG LYS 44 61.520 -5.368 3.281
326 2HG LYS 44 1HG LYS 44 59.759 -5.260 3.274
327 1HD LYS 44 2HD LYS 44 60.570 -7.577 2.697
328 2HD LYS 44 1HD LYS 44 59.663 -6.847 1.360
329 1HE LYS 44 2HE LYS 44 61.701 -7.990 0.557
330 2HE LYS 44 1HE LYS 44 61.804 -6.254 0.249
331 1HZ LYS 44 2HZ LYS 44 62.883 -6.613 2.749
332 2HZ LYS 44 1HZ LYS 44 63.470 -7.924 1.845
333 3HZ LYS 44 3HZ LYS 44 63.736 -6.338 1.307
334 H PHE 45 H PHE 45 62.149 -2.757 -0.848
335 HA PHE 45 HA PHE 45 63.576 -4.827 -2.039
336 1HB PHE 45 2HB PHE 45 63.192 -1.931 -2.613
337 2HB PHE 45 1HB PHE 45 64.527 -2.745 -3.397
338 HD1 PHE 45 HD2 PHE 45 61.030 -3.802 -2.613
339 HD2 PHE 45 HD1 PHE 45 63.975 -3.191 -5.664
340 HE1 PHE 45 HE2 PHE 45 59.479 -4.685 -4.297
341 HE2 PHE 45 HE1 PHE 45 62.410 -4.074 -7.332
342 HZ PHE 45 HZ PHE 45 60.165 -4.821 -6.655
343 H THR 46 H THR 46 64.778 -2.000 -0.295
344 HA THR 46 HA THR 46 67.536 -2.650 -0.778
345 HB THR 46 HB THR 46 67.978 -0.758 0.678
346 HG1 THR 46 HG1 THR 46 65.176 -0.609 1.068
347 1HG2 THR 46 3HG2 THR 46 66.494 -0.685 -1.731
348 2HG2 THR 46 2HG2 THR 46 65.860 0.588 -0.683
349 3HG2 THR 46 1HG2 THR 46 67.578 0.548 -1.082
350 H SER 47 H SER 47 65.146 -3.414 1.607
351 HA SER 47 HA SER 47 67.136 -4.319 3.549
352 1HB SER 47 2HB SER 47 64.119 -4.259 3.612
353 2HB SER 47 1HB SER 47 65.123 -4.876 4.918
354 HG SER 47 HG SER 47 64.943 -2.227 3.909
355 H LYS 48 H LYS 48 66.462 -5.596 0.800
356 HA LYS 48 HA LYS 48 65.235 -8.043 1.070
357 1HB LYS 48 2HB LYS 48 67.340 -6.935 -0.708
358 2HB LYS 48 1HB LYS 48 67.167 -8.687 -0.680
359 1HG LYS 48 2HG LYS 48 64.759 -6.920 -1.063
360 2HG LYS 48 1HG LYS 48 65.813 -7.305 -2.416
361 1HD LYS 48 2HD LYS 48 65.253 -9.726 -1.005
362 2HD LYS 48 1HD LYS 48 63.730 -8.892 -1.312
363 1HE LYS 48 2HE LYS 48 64.304 -10.405 -3.156
364 2HE LYS 48 1HE LYS 48 64.287 -8.727 -3.690
365 1HZ LYS 48 2HZ LYS 48 66.861 -9.479 -2.758
366 2HZ LYS 48 1HZ LYS 48 66.335 -10.536 -3.979
367 3HZ LYS 48 3HZ LYS 48 66.403 -8.867 -4.274
368 H ALA 49 H ALA 49 68.754 -7.489 1.272
369 HA ALA 49 HA ALA 49 70.379 -8.518 2.514
370 1HB ALA 49 1HB ALA 49 68.563 -8.195 4.330
371 2HB ALA 49 3HB ALA 49 68.258 -9.919 4.112
372 3HB ALA 49 2HB ALA 49 69.851 -9.364 4.629
373 H SER 50 H SER 50 71.558 -10.141 1.768
374 HA SER 50 HA SER 50 70.621 -12.156 0.087
375 1HB SER 50 2HB SER 50 72.996 -11.360 0.321
376 2HB SER 50 1HB SER 50 73.105 -12.315 1.795
377 HG SER 50 HG SER 50 72.333 -13.382 -0.731
No H/Q in entry = 377
Start of MODEL 4
1 1H ALA 1 2H ALA 1 60.462 7.885 21.701
2 2H ALA 1 1H ALA 1 61.567 9.169 21.580
3 3H ALA 1 3H ALA 1 61.466 8.272 23.015
4 HA ALA 1 HA ALA 1 59.733 9.401 23.788
5 1HB ALA 1 2HB ALA 1 60.523 11.243 21.508
6 2HB ALA 1 1HB ALA 1 59.560 11.719 22.909
7 3HB ALA 1 3HB ALA 1 61.244 11.225 23.119
8 H GLU 2 H GLU 2 57.555 9.570 23.711
9 HA GLU 2 HA GLU 2 55.403 9.406 22.935
10 1HB GLU 2 2HB GLU 2 56.699 10.959 21.056
11 2HB GLU 2 1HB GLU 2 55.978 9.674 20.089
12 1HG GLU 2 2HG GLU 2 54.276 11.266 20.168
13 2HG GLU 2 1HG GLU 2 53.832 10.168 21.475
14 H GLY 3 H GLY 3 54.465 7.487 22.919
15 1HA GLY 3 2HA GLY 3 54.988 5.589 20.793
16 2HA GLY 3 1HA GLY 3 55.367 5.046 22.421
17 H ASP 4 H ASP 4 52.773 7.265 22.002
18 HA ASP 4 HA ASP 4 50.737 5.165 21.956
19 1HB ASP 4 2HB ASP 4 51.536 5.951 24.376
20 2HB ASP 4 1HB ASP 4 50.404 7.262 24.040
21 H ASP 5 H ASP 5 50.466 6.162 19.840
22 HA ASP 5 HA ASP 5 49.920 8.769 19.208
23 1HB ASP 5 2HB ASP 5 50.017 6.968 17.555
24 2HB ASP 5 1HB ASP 5 48.489 6.324 18.157
25 HA PRO 6 HA PRO 6 46.178 9.205 21.730
26 1HB PRO 6 2HB PRO 6 46.551 11.810 22.339
27 2HB PRO 6 1HB PRO 6 47.346 10.488 23.206
28 1HG PRO 6 2HG PRO 6 48.480 12.434 21.334
29 2HG PRO 6 1HG PRO 6 49.291 11.430 22.546
30 1HD PRO 6 2HD PRO 6 49.122 10.994 19.716
31 2HD PRO 6 1HD PRO 6 49.940 9.996 20.933
32 H ALA 7 H ALA 7 46.781 9.939 18.683
33 HA ALA 7 HA ALA 7 44.775 12.033 18.312
34 1HB ALA 7 2HB ALA 7 46.862 12.173 17.032
35 2HB ALA 7 1HB ALA 7 46.521 10.602 16.301
36 3HB ALA 7 3HB ALA 7 45.472 11.980 15.962
37 H LYS 8 H LYS 8 44.201 9.174 19.184
38 HA LYS 8 HA LYS 8 42.918 7.784 17.093
39 1HB LYS 8 2HB LYS 8 42.700 7.752 20.088
40 2HB LYS 8 1HB LYS 8 41.595 6.806 19.098
41 1HG LYS 8 2HG LYS 8 44.622 6.607 19.144
42 2HG LYS 8 1HG LYS 8 43.496 5.393 19.750
43 1HD LYS 8 2HD LYS 8 44.122 6.159 16.900
44 2HD LYS 8 1HD LYS 8 44.136 4.566 17.643
45 1HE LYS 8 2HE LYS 8 41.714 6.214 16.862
46 2HE LYS 8 1HE LYS 8 42.232 4.672 16.183
47 1HZ LYS 8 1HZ LYS 8 41.611 4.865 19.055
48 2HZ LYS 8 3HZ LYS 8 40.352 4.731 17.928
49 3HZ LYS 8 2HZ LYS 8 41.537 3.518 18.024
50 H ALA 9 H ALA 9 41.944 10.437 19.125
51 HA ALA 9 HA ALA 9 39.162 10.324 18.836
52 1HB ALA 9 1HB ALA 9 40.960 12.039 20.031
53 2HB ALA 9 3HB ALA 9 40.260 13.032 18.751
54 3HB ALA 9 2HB ALA 9 39.212 12.275 19.954
55 H ALA 10 H ALA 10 41.635 11.834 16.796
56 HA ALA 10 HA ALA 10 39.993 13.096 14.933
57 1HB ALA 10 1HB ALA 10 42.743 12.539 15.215
58 2HB ALA 10 3HB ALA 10 42.274 11.948 13.619
59 3HB ALA 10 2HB ALA 10 41.977 13.632 14.060
60 H PHE 11 H PHE 11 41.141 9.753 15.049
61 HA PHE 11 HA PHE 11 40.018 8.971 12.544
62 1HB PHE 11 2HB PHE 11 41.870 7.776 13.667
63 2HB PHE 11 1HB PHE 11 40.760 7.274 14.928
64 HD1 PHE 11 HD2 PHE 11 41.254 7.123 11.229
65 HD2 PHE 11 HD1 PHE 11 39.564 5.240 14.688
66 HE1 PHE 11 HE2 PHE 11 40.630 5.167 9.874
67 HE2 PHE 11 HE1 PHE 11 38.947 3.297 13.318
68 HZ PHE 11 HZ PHE 11 39.478 3.256 10.914
69 H ASN 12 H ASN 12 38.983 8.625 15.913
70 HA ASN 12 HA ASN 12 36.568 7.240 15.354
71 1HB ASN 12 2HB ASN 12 37.907 7.577 17.589
72 2HB ASN 12 1HB ASN 12 36.858 8.985 17.762
73 1HD2 ASN 12 2HD2 ASN 12 35.296 5.903 19.258
74 2HD2 ASN 12 1HD2 ASN 12 36.848 6.646 19.415
75 H SER 13 H SER 13 37.360 10.659 15.740
76 HA SER 13 HA SER 13 34.762 11.715 15.804
77 1HB SER 13 2HB SER 13 37.180 12.837 15.999
78 2HB SER 13 1HB SER 13 36.847 13.212 14.307
79 HG SER 13 HG SER 13 35.806 14.326 16.549
80 H LEU 14 H LEU 14 36.670 10.478 13.177
81 HA LEU 14 HA LEU 14 35.163 11.666 11.069
82 1HB LEU 14 2HB LEU 14 37.420 10.947 10.649
83 2HB LEU 14 1HB LEU 14 37.035 9.305 11.150
84 HG LEU 14 HG LEU 14 35.495 9.063 9.255
85 1HD1 LEU 14 3HD1 LEU 14 36.265 11.921 8.708
86 2HD1 LEU 14 2HD1 LEU 14 35.723 10.862 7.408
87 3HD1 LEU 14 1HD1 LEU 14 34.656 11.194 8.772
88 1HD2 LEU 14 1HD2 LEU 14 38.323 9.889 8.586
89 2HD2 LEU 14 3HD2 LEU 14 37.674 8.257 8.774
90 3HD2 LEU 14 2HD2 LEU 14 37.216 9.236 7.379
91 H GLN 15 H GLN 15 35.038 8.582 12.772
92 HA GLN 15 HA GLN 15 33.011 7.449 11.081
93 1HB GLN 15 2HB GLN 15 34.634 6.075 12.320
94 2HB GLN 15 1HB GLN 15 33.929 6.623 13.837
95 1HG GLN 15 2HG GLN 15 31.696 5.720 12.796
96 2HG GLN 15 1HG GLN 15 32.779 4.782 11.768
97 1HE2 GLN 15 2HD2 GLN 15 33.590 2.478 14.228
98 2HE2 GLN 15 1HD2 GLN 15 33.701 2.992 12.584
99 H ALA 16 H ALA 16 33.072 9.298 14.043
100 HA ALA 16 HA ALA 16 30.243 8.856 14.577
101 1HB ALA 16 1HB ALA 16 32.021 9.053 16.370
102 2HB ALA 16 3HB ALA 16 32.088 10.774 15.986
103 3HB ALA 16 2HB ALA 16 30.590 10.063 16.590
104 H SER 17 H SER 17 31.432 10.449 12.180
105 HA SER 17 HA SER 17 29.551 12.695 12.441
106 1HB SER 17 2HB SER 17 32.459 12.818 11.986
107 2HB SER 17 1HB SER 17 31.491 13.790 10.884
108 HG SER 17 HG SER 17 30.580 14.826 12.678
109 H ALA 18 H ALA 18 31.719 11.031 10.157
110 HA ALA 18 HA ALA 18 29.716 11.386 8.035
111 1HB ALA 18 2HB ALA 18 32.643 10.678 7.992
112 2HB ALA 18 1HB ALA 18 31.609 10.574 6.566
113 3HB ALA 18 3HB ALA 18 31.867 12.130 7.356
114 H THR 19 H THR 19 28.580 9.693 9.482
115 HA THR 19 HA THR 19 29.452 6.987 9.379
116 HB THR 19 HB THR 19 27.031 6.498 9.962
117 HG1 THR 19 HG1 THR 19 25.642 8.087 9.954
118 1HG2 THR 19 2HG2 THR 19 28.795 8.296 11.604
119 2HG2 THR 19 1HG2 THR 19 27.201 7.834 12.197
120 3HG2 THR 19 3HG2 THR 19 28.403 6.591 11.849
121 H GLU 20 H GLU 20 28.168 9.004 7.007
122 HA GLU 20 HA GLU 20 26.834 6.937 5.486
123 1HB GLU 20 2HB GLU 20 26.912 9.764 5.509
124 2HB GLU 20 1HB GLU 20 27.480 9.247 3.928
125 1HG GLU 20 2HG GLU 20 24.996 9.599 4.066
126 2HG GLU 20 1HG GLU 20 25.472 7.988 3.530
127 H TYR 21 H TYR 21 29.975 7.482 6.143
128 HA TYR 21 HA TYR 21 30.965 6.838 3.443
129 1HB TYR 21 2HB TYR 21 32.094 8.199 5.822
130 2HB TYR 21 1HB TYR 21 33.189 7.270 4.808
131 HD1 TYR 21 HD1 TYR 21 30.678 9.996 4.782
132 HD2 TYR 21 HD2 TYR 21 33.960 8.183 2.723
133 HE1 TYR 21 HE1 TYR 21 30.749 11.892 3.210
134 HE2 TYR 21 HE2 TYR 21 34.021 10.084 1.163
135 HH TYR 21 HH TYR 21 32.068 12.940 1.646
136 H ILE 22 H ILE 22 29.805 4.999 5.693
137 HA ILE 22 HA ILE 22 32.099 3.367 6.314
138 HB ILE 22 HB ILE 22 29.144 3.109 6.834
139 1HG1 ILE 22 2HG1 ILE 22 30.629 4.692 8.189
140 2HG1 ILE 22 1HG1 ILE 22 29.625 3.548 9.096
141 1HG2 ILE 22 2HG2 ILE 22 30.132 0.840 6.408
142 2HG2 ILE 22 1HG2 ILE 22 31.259 1.128 7.733
143 3HG2 ILE 22 3HG2 ILE 22 29.525 1.028 8.051
144 1HD1 ILE 22 3HD1 ILE 22 32.044 2.186 8.713
145 2HD1 ILE 22 2HD1 ILE 22 32.513 3.845 9.090
146 3HD1 ILE 22 1HD1 ILE 22 31.474 2.949 10.195
147 H GLY 23 H GLY 23 29.298 3.096 4.155
148 1HA GLY 23 2HA GLY 23 30.299 0.559 3.113
149 2HA GLY 23 1HA GLY 23 28.775 1.332 2.689
150 H TYR 24 H TYR 24 31.136 3.676 2.465
151 HA TYR 24 HA TYR 24 31.632 3.036 -0.374
152 1HB TYR 24 2HB TYR 24 31.371 5.867 0.528
153 2HB TYR 24 1HB TYR 24 31.121 5.173 -1.063
154 HD1 TYR 24 HD1 TYR 24 29.242 3.101 -0.817
155 HD2 TYR 24 HD2 TYR 24 29.373 6.764 1.387
156 HE1 TYR 24 HE1 TYR 24 26.823 2.942 -0.390
157 HE2 TYR 24 HE2 TYR 24 26.962 6.590 1.807
158 HH TYR 24 HH TYR 24 25.112 3.756 0.867
159 H ALA 25 H ALA 25 32.869 4.732 2.499
160 HA ALA 25 HA ALA 25 35.317 5.550 1.334
161 1HB ALA 25 1HB ALA 25 34.280 6.396 3.489
162 2HB ALA 25 3HB ALA 25 34.888 4.926 4.251
163 3HB ALA 25 2HB ALA 25 36.015 6.081 3.538
164 H TRP 26 H TRP 26 34.181 2.478 2.319
165 HA TRP 26 HA TRP 26 36.744 1.329 2.938
166 1HB TRP 26 2HB TRP 26 33.975 0.502 2.998
167 2HB TRP 26 1HB TRP 26 34.982 -0.728 2.249
168 HD1 TRP 26 1HD TRP 26 34.348 1.004 5.603
169 HE1 TRP 26 1HE TRP 26 35.605 -0.278 7.419
170 HE3 TRP 26 3HE TRP 26 37.078 -2.207 2.699
171 HZ2 TRP 26 2HZ TRP 26 37.485 -2.349 7.640
172 HZ3 TRP 26 3HZ TRP 26 38.594 -3.816 3.781
173 HH2 TRP 26 HH2 TRP 26 38.798 -3.889 6.230
174 H ALA 27 H ALA 27 34.774 1.760 0.097
175 HA ALA 27 HA ALA 27 36.087 -0.155 -1.561
176 1HB ALA 27 1HB ALA 27 34.028 1.875 -1.842
177 2HB ALA 27 3HB ALA 27 35.108 1.839 -3.237
178 3HB ALA 27 2HB ALA 27 34.256 0.374 -2.742
179 H MET 28 H MET 28 36.819 3.067 -0.532
180 HA MET 28 HA MET 28 38.774 3.564 -2.613
181 1HB MET 28 2HB MET 28 37.515 5.077 -0.445
182 2HB MET 28 1HB MET 28 39.228 5.408 -0.607
183 1HG MET 28 2HG MET 28 37.095 5.722 -2.727
184 2HG MET 28 1HG MET 28 38.011 6.994 -1.939
185 1HE MET 28 3HE MET 28 39.641 8.057 -2.648
186 2HE MET 28 2HE MET 28 41.156 7.161 -2.772
187 3HE MET 28 1HE MET 28 40.452 7.894 -4.213
188 H VAL 29 H VAL 29 38.728 2.594 0.772
189 HA VAL 29 HA VAL 29 41.448 2.805 1.355
190 HB VAL 29 HB VAL 29 39.349 0.879 2.344
191 1HG1 VAL 29 2HG1 VAL 29 41.610 -0.033 2.697
192 2HG1 VAL 29 1HG1 VAL 29 42.059 1.449 3.542
193 3HG1 VAL 29 3HG1 VAL 29 40.815 0.393 4.214
194 1HG2 VAL 29 2HG2 VAL 29 39.251 3.471 2.695
195 2HG2 VAL 29 1HG2 VAL 29 38.915 2.383 4.044
196 3HG2 VAL 29 3HG2 VAL 29 40.495 3.155 3.906
197 H VAL 30 H VAL 30 39.640 0.324 -0.360
198 HA VAL 30 HA VAL 30 41.639 -1.663 -0.422
199 HB VAL 30 HB VAL 30 39.357 -1.066 -2.301
200 1HG1 VAL 30 3HG1 VAL 30 41.464 -3.063 -2.385
201 2HG1 VAL 30 2HG1 VAL 30 39.848 -3.770 -2.393
202 3HG1 VAL 30 1HG1 VAL 30 40.302 -2.590 -3.624
203 1HG2 VAL 30 2HG2 VAL 30 38.729 -1.510 0.061
204 2HG2 VAL 30 1HG2 VAL 30 38.133 -2.736 -1.060
205 3HG2 VAL 30 3HG2 VAL 30 39.542 -3.073 -0.052
206 H VAL 31 H VAL 31 40.930 1.113 -2.474
207 HA VAL 31 HA VAL 31 42.845 0.427 -4.487
208 HB VAL 31 HB VAL 31 41.291 2.932 -3.885
209 1HG1 VAL 31 3HG1 VAL 31 43.401 2.394 -5.882
210 2HG1 VAL 31 2HG1 VAL 31 41.966 3.251 -6.450
211 3HG1 VAL 31 1HG1 VAL 31 42.918 3.907 -5.117
212 1HG2 VAL 31 3HG2 VAL 31 40.931 0.631 -5.789
213 2HG2 VAL 31 2HG2 VAL 31 39.791 1.273 -4.602
214 3HG2 VAL 31 1HG2 VAL 31 40.154 2.192 -6.066
215 H ILE 32 H ILE 32 42.982 1.955 -1.434
216 HA ILE 32 HA ILE 32 45.497 3.329 -2.041
217 HB ILE 32 HB ILE 32 43.819 3.286 0.462
218 1HG1 ILE 32 2HG1 ILE 32 44.123 5.318 -1.753
219 2HG1 ILE 32 1HG1 ILE 32 42.673 4.408 -1.338
220 1HG2 ILE 32 1HG2 ILE 32 46.525 4.043 0.094
221 2HG2 ILE 32 3HG2 ILE 32 45.586 5.525 0.292
222 3HG2 ILE 32 2HG2 ILE 32 45.516 4.265 1.525
223 1HD1 ILE 32 3HD1 ILE 32 44.038 6.448 0.433
224 2HD1 ILE 32 2HD1 ILE 32 42.551 6.708 -0.482
225 3HD1 ILE 32 1HD1 ILE 32 42.581 5.541 0.843
226 H VAL 33 H VAL 33 44.286 0.531 -0.302
227 HA VAL 33 HA VAL 33 46.473 0.009 1.349
228 HB VAL 33 HB VAL 33 44.433 -1.777 0.038
229 1HG1 VAL 33 2HG1 VAL 33 46.495 -2.431 2.126
230 2HG1 VAL 33 1HG1 VAL 33 45.076 -3.427 1.800
231 3HG1 VAL 33 3HG1 VAL 33 46.286 -3.178 0.543
232 1HG2 VAL 33 2HG2 VAL 33 44.141 0.091 2.024
233 2HG2 VAL 33 1HG2 VAL 33 43.080 -1.295 1.763
234 3HG2 VAL 33 3HG2 VAL 33 44.393 -1.397 2.938
235 H GLY 34 H GLY 34 45.905 -0.621 -2.057
236 1HA GLY 34 2HA GLY 34 48.132 -2.399 -2.412
237 2HA GLY 34 1HA GLY 34 47.208 -1.608 -3.692
238 H ALA 35 H ALA 35 47.556 1.006 -3.341
239 HA ALA 35 HA ALA 35 49.999 1.656 -4.424
240 1HB ALA 35 3HB ALA 35 47.771 3.068 -3.689
241 2HB ALA 35 2HB ALA 35 48.984 3.698 -2.571
242 3HB ALA 35 1HB ALA 35 49.257 3.787 -4.312
243 H THR 36 H THR 36 49.150 1.136 -1.094
244 HA THR 36 HA THR 36 51.454 2.217 0.156
245 HB THR 36 HB THR 36 49.508 0.055 0.964
246 HG1 THR 36 HG1 THR 36 48.789 1.798 2.348
247 1HG2 THR 36 1HG2 THR 36 51.819 1.252 2.457
248 2HG2 THR 36 3HG2 THR 36 50.404 0.632 3.310
249 3HG2 THR 36 2HG2 THR 36 51.361 -0.446 2.290
250 H ILE 37 H ILE 37 50.628 -1.009 -1.044
251 HA ILE 37 HA ILE 37 52.968 -2.343 -0.217
252 HB ILE 37 HB ILE 37 51.086 -2.858 -2.512
253 1HG1 ILE 37 2HG1 ILE 37 51.284 -3.983 0.265
254 2HG1 ILE 37 1HG1 ILE 37 49.995 -2.974 -0.377
255 1HG2 ILE 37 2HG2 ILE 37 53.299 -3.916 -2.882
256 2HG2 ILE 37 1HG2 ILE 37 53.114 -4.759 -1.343
257 3HG2 ILE 37 3HG2 ILE 37 51.993 -5.084 -2.665
258 1HD1 ILE 37 3HD1 ILE 37 49.442 -4.763 -2.002
259 2HD1 ILE 37 2HD1 ILE 37 50.694 -5.777 -1.281
260 3HD1 ILE 37 1HD1 ILE 37 49.282 -5.307 -0.331
261 H GLY 38 H GLY 38 52.300 -0.207 -2.867
262 1HA GLY 38 2HA GLY 38 54.482 -0.902 -4.553
263 2HA GLY 38 1HA GLY 38 53.582 0.613 -4.587
264 H ILE 39 H ILE 39 54.021 1.903 -2.436
265 HA ILE 39 HA ILE 39 56.654 2.855 -2.611
266 HB ILE 39 HB ILE 39 54.661 3.205 -0.379
267 1HG1 ILE 39 2HG1 ILE 39 55.007 5.385 -2.299
268 2HG1 ILE 39 1HG1 ILE 39 54.363 3.919 -3.024
269 1HG2 ILE 39 1HG2 ILE 39 57.302 3.919 -0.425
270 2HG2 ILE 39 3HG2 ILE 39 56.501 5.380 -0.996
271 3HG2 ILE 39 2HG2 ILE 39 56.050 4.680 0.559
272 1HD1 ILE 39 1HD1 ILE 39 53.156 4.707 -0.442
273 2HD1 ILE 39 3HD1 ILE 39 52.825 5.776 -1.807
274 3HD1 ILE 39 2HD1 ILE 39 52.392 4.067 -1.899
275 H LYS 40 H LYS 40 55.110 0.702 -0.242
276 HA LYS 40 HA LYS 40 57.191 0.493 1.584
277 1HB LYS 40 2HB LYS 40 54.739 -0.491 1.514
278 2HB LYS 40 1HB LYS 40 55.575 -1.911 0.899
279 1HG LYS 40 2HG LYS 40 55.960 -2.437 3.041
280 2HG LYS 40 1HG LYS 40 57.120 -1.111 3.056
281 1HD LYS 40 2HD LYS 40 54.224 -0.534 3.506
282 2HD LYS 40 1HD LYS 40 55.171 -1.209 4.827
283 1HE LYS 40 2HE LYS 40 55.486 1.440 3.425
284 2HE LYS 40 1HE LYS 40 55.331 1.118 5.152
285 1HZ LYS 40 2HZ LYS 40 57.545 -0.117 4.854
286 2HZ LYS 40 1HZ LYS 40 57.686 0.786 3.422
287 3HZ LYS 40 3HZ LYS 40 57.553 1.581 4.913
288 H LEU 41 H LEU 41 56.608 -1.273 -1.419
289 HA LEU 41 HA LEU 41 58.593 -3.215 -1.230
290 1HB LEU 41 2HB LEU 41 57.197 -1.839 -3.470
291 2HB LEU 41 1HB LEU 41 58.610 -2.812 -3.856
292 HG LEU 41 HG LEU 41 56.124 -3.731 -2.403
293 1HD1 LEU 41 3HD1 LEU 41 57.005 -3.805 -5.202
294 2HD1 LEU 41 2HD1 LEU 41 56.418 -5.346 -4.576
295 3HD1 LEU 41 1HD1 LEU 41 55.383 -3.917 -4.518
296 1HD2 LEU 41 3HD2 LEU 41 58.807 -4.941 -2.648
297 2HD2 LEU 41 2HD2 LEU 41 57.544 -5.208 -1.444
298 3HD2 LEU 41 1HD2 LEU 41 57.454 -6.012 -3.011
299 H PHE 42 H PHE 42 58.845 0.186 -1.831
300 HA PHE 42 HA PHE 42 61.530 0.091 -2.895
301 1HB PHE 42 2HB PHE 42 59.991 1.857 -3.564
302 2HB PHE 42 1HB PHE 42 59.848 2.389 -1.895
303 HD1 PHE 42 HD2 PHE 42 62.236 2.004 -4.708
304 HD2 PHE 42 HD1 PHE 42 61.395 3.907 -0.980
305 HE1 PHE 42 HE2 PHE 42 64.161 3.506 -5.040
306 HE2 PHE 42 HE1 PHE 42 63.321 5.409 -1.313
307 HZ PHE 42 HZ PHE 42 64.704 5.208 -3.344
308 H LYS 43 H LYS 43 60.068 1.320 0.113
309 HA LYS 43 HA LYS 43 62.451 1.948 1.435
310 1HB LYS 43 2HB LYS 43 59.714 1.232 2.434
311 2HB LYS 43 1HB LYS 43 61.011 1.817 3.481
312 1HG LYS 43 2HG LYS 43 60.707 3.420 1.065
313 2HG LYS 43 1HG LYS 43 59.237 3.368 2.014
314 1HD LYS 43 2HD LYS 43 60.432 4.155 4.004
315 2HD LYS 43 1HD LYS 43 61.953 4.123 3.119
316 1HE LYS 43 2HE LYS 43 59.862 6.169 3.190
317 2HE LYS 43 1HE LYS 43 61.561 6.303 2.739
318 1HZ LYS 43 1HZ LYS 43 60.946 5.301 0.568
319 2HZ LYS 43 3HZ LYS 43 59.314 5.404 1.018
320 3HZ LYS 43 2HZ LYS 43 60.239 6.819 0.851
321 H LYS 44 H LYS 44 61.082 -1.123 0.744
322 HA LYS 44 HA LYS 44 62.264 -2.486 3.005
323 1HB LYS 44 2HB LYS 44 60.172 -3.034 1.279
324 2HB LYS 44 1HB LYS 44 61.424 -4.144 0.742
325 1HG LYS 44 2HG LYS 44 60.525 -3.927 3.627
326 2HG LYS 44 1HG LYS 44 59.837 -5.052 2.467
327 1HD LYS 44 2HD LYS 44 62.589 -5.430 2.193
328 2HD LYS 44 1HD LYS 44 62.374 -5.222 3.930
329 1HE LYS 44 2HE LYS 44 62.202 -7.629 2.909
330 2HE LYS 44 1HE LYS 44 61.068 -7.129 4.161
331 1HZ LYS 44 1HZ LYS 44 60.335 -6.641 1.368
332 2HZ LYS 44 3HZ LYS 44 60.279 -8.239 1.933
333 3HZ LYS 44 2HZ LYS 44 59.354 -7.037 2.698
334 H PHE 45 H PHE 45 62.895 -2.215 -0.476
335 HA PHE 45 HA PHE 45 65.194 -3.947 -0.426
336 1HB PHE 45 2HB PHE 45 63.807 -2.229 -2.413
337 2HB PHE 45 1HB PHE 45 65.489 -2.615 -2.706
338 HD1 PHE 45 HD2 PHE 45 66.210 -5.039 -2.843
339 HD2 PHE 45 HD1 PHE 45 62.084 -3.868 -2.794
340 HE1 PHE 45 HE2 PHE 45 65.563 -7.237 -3.730
341 HE2 PHE 45 HE1 PHE 45 61.460 -6.073 -3.679
342 HZ PHE 45 HZ PHE 45 63.194 -7.757 -4.148
343 H THR 46 H THR 46 64.599 -0.521 -0.119
344 HA THR 46 HA THR 46 67.387 0.182 -0.396
345 HB THR 46 HB THR 46 66.614 2.433 -0.062
346 HG1 THR 46 HG1 THR 46 64.022 1.403 0.395
347 1HG2 THR 46 1HG2 THR 46 65.661 0.678 -2.083
348 2HG2 THR 46 3HG2 THR 46 64.372 1.826 -1.709
349 3HG2 THR 46 2HG2 THR 46 65.965 2.414 -2.195
350 H SER 47 H SER 47 65.435 -0.985 2.114
351 HA SER 47 HA SER 47 66.823 0.413 4.253
352 1HB SER 47 2HB SER 47 64.603 -1.584 4.099
353 2HB SER 47 1HB SER 47 65.471 -1.371 5.616
354 HG SER 47 HG SER 47 65.012 0.983 5.214
355 H LYS 48 H LYS 48 66.802 -2.732 2.697
356 HA LYS 48 HA LYS 48 68.223 -4.323 4.395
357 1HB LYS 48 2HB LYS 48 68.487 -4.104 1.398
358 2HB LYS 48 1HB LYS 48 69.121 -5.437 2.358
359 1HG LYS 48 2HG LYS 48 66.279 -4.816 2.835
360 2HG LYS 48 1HG LYS 48 66.646 -5.393 1.212
361 1HD LYS 48 2HD LYS 48 67.643 -7.401 2.075
362 2HD LYS 48 1HD LYS 48 67.553 -6.797 3.728
363 1HE LYS 48 2HE LYS 48 65.213 -7.478 1.938
364 2HE LYS 48 1HE LYS 48 65.771 -8.409 3.325
365 1HZ LYS 48 3HZ LYS 48 65.381 -6.233 4.599
366 2HZ LYS 48 2HZ LYS 48 64.421 -5.791 3.269
367 3HZ LYS 48 1HZ LYS 48 64.037 -7.176 4.175
368 H ALA 49 H ALA 49 69.427 -1.684 2.440
369 HA ALA 49 HA ALA 49 72.075 -2.005 2.230
370 1HB ALA 49 1HB ALA 49 70.552 0.445 3.076
371 2HB ALA 49 3HB ALA 49 72.284 0.481 2.739
372 3HB ALA 49 2HB ALA 49 71.146 0.025 1.468
373 H SER 50 H SER 50 70.679 -0.485 5.139
374 HA SER 50 HA SER 50 73.055 -0.572 6.652
375 1HB SER 50 2HB SER 50 70.365 -0.645 7.951
376 2HB SER 50 1HB SER 50 71.798 0.272 8.403
377 HG SER 50 HG SER 50 71.306 1.775 6.925
No H/Q in entry = 377
Start of MODEL 5
1 1H ALA 1 2H ALA 1 27.573 -18.310 21.518
2 2H ALA 1 1H ALA 1 26.814 -19.816 21.718
3 3H ALA 1 3H ALA 1 28.417 -19.742 21.165
4 HA ALA 1 HA ALA 1 27.853 -19.275 19.067
5 1HB ALA 1 3HB ALA 1 25.296 -20.429 20.215
6 2HB ALA 1 2HB ALA 1 25.563 -20.216 18.484
7 3HB ALA 1 1HB ALA 1 26.600 -21.306 19.411
8 H GLU 2 H GLU 2 27.181 -17.708 17.713
9 HA GLU 2 HA GLU 2 26.353 -15.243 18.596
10 1HB GLU 2 2HB GLU 2 26.358 -16.607 15.956
11 2HB GLU 2 1HB GLU 2 25.453 -15.101 16.098
12 1HG GLU 2 2HG GLU 2 27.391 -13.883 16.734
13 2HG GLU 2 1HG GLU 2 28.315 -15.360 17.014
14 H GLY 3 H GLY 3 24.550 -14.734 19.650
15 1HA GLY 3 2HA GLY 3 22.129 -16.250 19.455
16 2HA GLY 3 1HA GLY 3 22.363 -14.768 20.379
17 H ASP 4 H ASP 4 20.149 -15.607 18.590
18 HA ASP 4 HA ASP 4 20.340 -13.794 16.316
19 1HB ASP 4 2HB ASP 4 19.144 -16.175 16.534
20 2HB ASP 4 1HB ASP 4 17.787 -15.144 16.992
21 H ASP 5 H ASP 5 18.225 -14.231 19.128
22 HA ASP 5 HA ASP 5 16.977 -12.756 20.356
23 1HB ASP 5 2HB ASP 5 19.248 -11.554 20.313
24 2HB ASP 5 1HB ASP 5 18.527 -10.518 19.082
25 HA PRO 6 HA PRO 6 13.939 -11.477 17.374
26 1HB PRO 6 2HB PRO 6 11.977 -10.809 19.109
27 2HB PRO 6 1HB PRO 6 12.426 -12.483 18.752
28 1HG PRO 6 2HG PRO 6 12.917 -10.894 21.171
29 2HG PRO 6 1HG PRO 6 12.866 -12.651 20.965
30 1HD PRO 6 2HD PRO 6 15.174 -10.985 21.156
31 2HD PRO 6 1HD PRO 6 15.114 -12.735 20.874
32 H ALA 7 H ALA 7 15.055 -9.400 19.944
33 HA ALA 7 HA ALA 7 13.687 -7.030 19.126
34 1HB ALA 7 2HB ALA 7 15.054 -7.756 21.360
35 2HB ALA 7 1HB ALA 7 16.241 -6.721 20.563
36 3HB ALA 7 3HB ALA 7 14.640 -6.089 20.950
37 H LYS 8 H LYS 8 17.099 -8.036 18.830
38 HA LYS 8 HA LYS 8 17.828 -5.880 17.122
39 1HB LYS 8 2HB LYS 8 19.211 -8.548 17.388
40 2HB LYS 8 1HB LYS 8 19.908 -7.017 16.899
41 1HG LYS 8 2HG LYS 8 19.964 -6.174 19.067
42 2HG LYS 8 1HG LYS 8 18.652 -7.219 19.602
43 1HD LYS 8 2HD LYS 8 21.110 -7.713 20.375
44 2HD LYS 8 1HD LYS 8 20.023 -9.033 19.974
45 1HE LYS 8 2HE LYS 8 22.424 -9.126 19.040
46 2HE LYS 8 1HE LYS 8 21.103 -9.461 17.922
47 1HZ LYS 8 2HZ LYS 8 21.723 -6.679 18.025
48 2HZ LYS 8 1HZ LYS 8 23.089 -7.600 17.612
49 3HZ LYS 8 3HZ LYS 8 21.675 -7.726 16.687
50 H ALA 9 H ALA 9 16.474 -9.030 16.617
51 HA ALA 9 HA ALA 9 17.098 -9.827 14.122
52 1HB ALA 9 1HB ALA 9 15.324 -10.773 15.680
53 2HB ALA 9 3HB ALA 9 14.212 -9.610 14.954
54 3HB ALA 9 2HB ALA 9 14.972 -10.850 13.952
55 H ALA 10 H ALA 10 14.283 -7.676 14.576
56 HA ALA 10 HA ALA 10 14.021 -6.968 11.879
57 1HB ALA 10 3HB ALA 10 12.581 -6.488 14.138
58 2HB ALA 10 2HB ALA 10 13.261 -4.890 13.821
59 3HB ALA 10 1HB ALA 10 12.292 -5.698 12.587
60 H PHE 11 H PHE 11 15.584 -5.169 14.530
61 HA PHE 11 HA PHE 11 16.471 -2.953 13.128
62 1HB PHE 11 2HB PHE 11 16.705 -3.708 15.656
63 2HB PHE 11 1HB PHE 11 18.300 -4.205 15.118
64 HD1 PHE 11 HD1 PHE 11 15.975 -1.283 15.047
65 HD2 PHE 11 HD2 PHE 11 20.050 -2.605 15.078
66 HE1 PHE 11 HE1 PHE 11 16.739 1.046 15.258
67 HE2 PHE 11 HE2 PHE 11 20.795 -0.273 15.290
68 HZ PHE 11 HZ PHE 11 19.145 1.552 15.382
69 H ASN 12 H ASN 12 17.834 -6.188 13.280
70 HA ASN 12 HA ASN 12 20.258 -5.556 11.891
71 1HB ASN 12 2HB ASN 12 19.621 -7.602 13.427
72 2HB ASN 12 1HB ASN 12 19.100 -8.310 11.897
73 1HD2 ASN 12 2HD2 ASN 12 22.314 -9.104 10.889
74 2HD2 ASN 12 1HD2 ASN 12 20.605 -9.317 10.744
75 H SER 13 H SER 13 17.093 -6.808 10.965
76 HA SER 13 HA SER 13 17.609 -7.557 8.328
77 1HB SER 13 2HB SER 13 15.401 -7.617 9.820
78 2HB SER 13 1HB SER 13 15.054 -6.148 8.904
79 HG SER 13 HG SER 13 14.303 -8.115 7.887
80 H LEU 14 H LEU 14 17.288 -4.411 9.765
81 HA LEU 14 HA LEU 14 16.896 -2.995 7.307
82 1HB LEU 14 2HB LEU 14 16.104 -2.044 9.387
83 2HB LEU 14 1HB LEU 14 17.733 -2.082 10.055
84 HG LEU 14 HG LEU 14 18.437 -0.544 8.169
85 1HD1 LEU 14 1HD1 LEU 14 15.444 -0.395 7.747
86 2HD1 LEU 14 3HD1 LEU 14 16.575 0.817 7.146
87 3HD1 LEU 14 2HD1 LEU 14 16.682 -0.845 6.570
88 1HD2 LEU 14 1HD2 LEU 14 16.481 0.356 10.279
89 2HD2 LEU 14 3HD2 LEU 14 18.240 0.530 10.251
90 3HD2 LEU 14 2HD2 LEU 14 17.236 1.503 9.175
91 H GLN 15 H GLN 15 19.629 -3.963 9.263
92 HA GLN 15 HA GLN 15 21.540 -2.349 7.811
93 1HB GLN 15 2HB GLN 15 21.711 -3.019 10.254
94 2HB GLN 15 1HB GLN 15 22.129 -4.632 9.684
95 1HG GLN 15 2HG GLN 15 24.187 -3.490 10.096
96 2HG GLN 15 1HG GLN 15 23.989 -3.561 8.345
97 1HE2 GLN 15 2HD2 GLN 15 24.976 -0.112 9.230
98 2HE2 GLN 15 1HD2 GLN 15 25.661 -1.691 9.372
99 H ALA 16 H ALA 16 20.268 -5.585 7.658
100 HA ALA 16 HA ALA 16 22.368 -6.535 5.885
101 1HB ALA 16 2HB ALA 16 20.364 -7.724 7.541
102 2HB ALA 16 1HB ALA 16 20.164 -8.310 5.888
103 3HB ALA 16 3HB ALA 16 21.714 -8.500 6.711
104 H SER 17 H SER 17 20.106 -4.368 5.312
105 HA SER 17 HA SER 17 19.255 -5.507 2.727
106 1HB SER 17 2HB SER 17 17.674 -4.449 4.645
107 2HB SER 17 1HB SER 17 18.021 -3.007 3.698
108 HG SER 17 HG SER 17 17.443 -4.505 1.837
109 H ALA 18 H ALA 18 20.637 -2.666 4.307
110 HA ALA 18 HA ALA 18 21.239 -1.448 1.707
111 1HB ALA 18 1HB ALA 18 20.261 -0.155 3.676
112 2HB ALA 18 3HB ALA 18 21.853 -0.305 4.420
113 3HB ALA 18 2HB ALA 18 21.674 0.549 2.887
114 H THR 19 H THR 19 22.627 -3.718 1.980
115 HA THR 19 HA THR 19 25.304 -3.037 2.985
116 HB THR 19 HB THR 19 25.811 -5.408 2.653
117 HG1 THR 19 HG1 THR 19 24.562 -5.975 0.936
118 1HG2 THR 19 2HG2 THR 19 23.367 -4.670 4.234
119 2HG2 THR 19 1HG2 THR 19 23.928 -6.341 4.191
120 3HG2 THR 19 3HG2 THR 19 24.987 -5.072 4.811
121 H GLU 20 H GLU 20 24.020 -1.959 0.483
122 HA GLU 20 HA GLU 20 25.780 -3.061 -1.580
123 1HB GLU 20 2HB GLU 20 23.141 -2.015 -1.533
124 2HB GLU 20 1HB GLU 20 24.119 -0.957 -2.540
125 1HG GLU 20 2HG GLU 20 23.043 -2.823 -3.804
126 2HG GLU 20 1HG GLU 20 24.800 -2.808 -3.931
127 H TYR 21 H TYR 21 25.968 -0.739 0.725
128 HA TYR 21 HA TYR 21 27.543 1.091 -0.976
129 1HB TYR 21 2HB TYR 21 25.784 1.520 1.381
130 2HB TYR 21 1HB TYR 21 27.173 2.577 1.181
131 HD1 TYR 21 HD2 TYR 21 27.383 3.966 -0.884
132 HD2 TYR 21 HD1 TYR 21 23.857 1.712 -0.013
133 HE1 TYR 21 HE2 TYR 21 26.118 5.303 -2.518
134 HE2 TYR 21 HE1 TYR 21 22.602 3.056 -1.651
135 HH TYR 21 HH TYR 21 23.718 5.941 -2.915
136 H ILE 22 H ILE 22 27.833 -1.295 1.403
137 HA ILE 22 HA ILE 22 30.163 -0.091 2.654
138 HB ILE 22 HB ILE 22 28.692 -2.680 3.133
139 1HG1 ILE 22 2HG1 ILE 22 27.685 -0.398 3.817
140 2HG1 ILE 22 1HG1 ILE 22 27.739 -1.669 5.050
141 1HG2 ILE 22 2HG2 ILE 22 31.179 -1.615 4.480
142 2HG2 ILE 22 1HG2 ILE 22 30.114 -2.787 5.257
143 3HG2 ILE 22 3HG2 ILE 22 30.924 -3.198 3.745
144 1HD1 ILE 22 1HD1 ILE 22 30.177 -0.250 5.292
145 2HD1 ILE 22 3HD1 ILE 22 28.907 0.962 5.111
146 3HD1 ILE 22 2HD1 ILE 22 28.803 -0.243 6.392
147 H GLY 23 H GLY 23 29.472 -2.968 0.648
148 1HA GLY 23 2HA GLY 23 32.076 -4.004 0.579
149 2HA GLY 23 1HA GLY 23 30.851 -4.252 -0.665
150 H TYR 24 H TYR 24 30.820 -1.155 -0.898
151 HA TYR 24 HA TYR 24 32.917 -1.067 -2.928
152 1HB TYR 24 2HB TYR 24 30.726 0.893 -2.247
153 2HB TYR 24 1HB TYR 24 31.862 1.075 -3.575
154 HD1 TYR 24 HD2 TYR 24 31.834 -0.587 -5.471
155 HD2 TYR 24 HD1 TYR 24 28.832 -0.562 -2.428
156 HE1 TYR 24 HE2 TYR 24 30.366 -1.959 -6.889
157 HE2 TYR 24 HE1 TYR 24 27.385 -1.936 -3.845
158 HH TYR 24 HH TYR 24 28.502 -3.440 -6.726
159 H ALA 25 H ALA 25 32.254 0.142 0.243
160 HA ALA 25 HA ALA 25 34.049 2.348 0.233
161 1HB ALA 25 1HB ALA 25 32.964 0.652 2.486
162 2HB ALA 25 3HB ALA 25 33.917 2.119 2.721
163 3HB ALA 25 2HB ALA 25 32.342 2.207 1.928
164 H TRP 26 H TRP 26 34.574 -0.996 0.121
165 HA TRP 26 HA TRP 26 37.052 -1.067 1.588
166 1HB TRP 26 2HB TRP 26 35.278 -2.956 0.285
167 2HB TRP 26 1HB TRP 26 36.955 -3.277 -0.111
168 HD1 TRP 26 1HD TRP 26 34.468 -3.461 2.739
169 HE1 TRP 26 1HE TRP 26 35.560 -4.607 4.732
170 HE3 TRP 26 3HE TRP 26 39.309 -3.625 1.099
171 HZ2 TRP 26 2HZ TRP 26 38.107 -5.481 5.540
172 HZ3 TRP 26 3HZ TRP 26 41.030 -4.635 2.538
173 HH2 TRP 26 HH2 TRP 26 40.439 -5.556 4.740
174 H ALA 27 H ALA 27 36.057 -0.911 -1.796
175 HA ALA 27 HA ALA 27 38.595 -1.187 -2.981
176 1HB ALA 27 1HB ALA 27 35.918 -0.466 -3.810
177 2HB ALA 27 3HB ALA 27 37.125 0.529 -4.627
178 3HB ALA 27 2HB ALA 27 37.210 -1.230 -4.738
179 H MET 28 H MET 28 36.993 1.530 -1.494
180 HA MET 28 HA MET 28 38.797 3.523 -2.509
181 1HB MET 28 2HB MET 28 36.510 3.420 -0.617
182 2HB MET 28 1HB MET 28 37.678 4.687 -0.339
183 1HG MET 28 2HG MET 28 35.928 4.265 -2.767
184 2HG MET 28 1HG MET 28 35.991 5.649 -1.692
185 1HE MET 28 2HE MET 28 36.579 4.543 -4.982
186 2HE MET 28 1HE MET 28 36.073 6.228 -4.875
187 3HE MET 28 3HE MET 28 37.608 5.809 -5.649
188 H VAL 29 H VAL 29 38.754 1.327 0.158
189 HA VAL 29 HA VAL 29 40.699 2.739 1.742
190 HB VAL 29 HB VAL 29 39.660 -0.092 1.849
191 1HG1 VAL 29 1HG1 VAL 29 41.316 1.437 3.854
192 2HG1 VAL 29 3HG1 VAL 29 40.600 -0.155 4.112
193 3HG1 VAL 29 2HG1 VAL 29 41.854 0.062 2.889
194 1HG2 VAL 29 2HG2 VAL 29 38.124 1.965 2.271
195 2HG2 VAL 29 1HG2 VAL 29 38.101 0.619 3.413
196 3HG2 VAL 29 3HG2 VAL 29 39.003 2.086 3.797
197 H VAL 30 H VAL 30 40.711 0.263 -0.738
198 HA VAL 30 HA VAL 30 43.410 -0.574 -0.354
199 HB VAL 30 HB VAL 30 41.549 -0.827 -2.712
200 1HG1 VAL 30 2HG1 VAL 30 44.175 -2.156 -2.089
201 2HG1 VAL 30 1HG1 VAL 30 43.053 -2.723 -3.327
202 3HG1 VAL 30 3HG1 VAL 30 43.787 -1.126 -3.468
203 1HG2 VAL 30 2HG2 VAL 30 41.911 -2.361 -0.201
204 2HG2 VAL 30 1HG2 VAL 30 40.460 -2.097 -1.171
205 3HG2 VAL 30 3HG2 VAL 30 41.657 -3.290 -1.680
206 H VAL 31 H VAL 31 41.770 1.779 -2.422
207 HA VAL 31 HA VAL 31 44.014 2.445 -4.011
208 HB VAL 31 HB VAL 31 41.539 4.028 -3.348
209 1HG1 VAL 31 3HG1 VAL 31 43.454 5.344 -4.261
210 2HG1 VAL 31 2HG1 VAL 31 43.384 4.334 -5.707
211 3HG1 VAL 31 1HG1 VAL 31 42.010 5.353 -5.275
212 1HG2 VAL 31 3HG2 VAL 31 41.601 1.630 -4.596
213 2HG2 VAL 31 2HG2 VAL 31 40.422 2.892 -4.962
214 3HG2 VAL 31 1HG2 VAL 31 41.857 2.705 -5.972
215 H ILE 32 H ILE 32 43.043 3.289 -0.836
216 HA ILE 32 HA ILE 32 44.804 5.623 -0.729
217 HB ILE 32 HB ILE 32 42.907 4.423 1.284
218 1HG1 ILE 32 2HG1 ILE 32 42.712 7.057 -0.168
219 2HG1 ILE 32 1HG1 ILE 32 41.991 5.573 -0.783
220 1HG2 ILE 32 3HG2 ILE 32 45.074 6.295 1.645
221 2HG2 ILE 32 2HG2 ILE 32 43.523 7.057 2.009
222 3HG2 ILE 32 1HG2 ILE 32 43.999 5.578 2.848
223 1HD1 ILE 32 1HD1 ILE 32 41.393 6.813 1.911
224 2HD1 ILE 32 3HD1 ILE 32 40.363 6.931 0.483
225 3HD1 ILE 32 2HD1 ILE 32 40.642 5.363 1.245
226 H VAL 33 H VAL 33 44.328 2.576 1.083
227 HA VAL 33 HA VAL 33 46.821 2.772 2.451
228 HB VAL 33 HB VAL 33 44.881 0.501 2.038
229 1HG1 VAL 33 2HG1 VAL 33 47.139 -0.299 2.545
230 2HG1 VAL 33 1HG1 VAL 33 47.161 0.712 3.990
231 3HG1 VAL 33 3HG1 VAL 33 46.009 -0.617 3.862
232 1HG2 VAL 33 2HG2 VAL 33 45.230 2.583 4.174
233 2HG2 VAL 33 1HG2 VAL 33 43.771 2.139 3.287
234 3HG2 VAL 33 3HG2 VAL 33 44.427 1.048 4.509
235 H GLY 34 H GLY 34 45.767 1.525 -0.608
236 1HA GLY 34 2HA GLY 34 47.838 -0.347 -1.091
237 2HA GLY 34 1HA GLY 34 46.864 0.458 -2.325
238 H ALA 35 H ALA 35 47.520 3.120 -1.732
239 HA ALA 35 HA ALA 35 49.779 3.583 -3.268
240 1HB ALA 35 3HB ALA 35 48.001 5.153 -1.604
241 2HB ALA 35 2HB ALA 35 49.661 5.740 -1.494
242 3HB ALA 35 1HB ALA 35 48.870 5.622 -3.067
243 H THR 36 H THR 36 49.491 2.859 0.116
244 HA THR 36 HA THR 36 52.193 3.579 0.832
245 HB THR 36 HB THR 36 49.932 2.126 2.197
246 HG1 THR 36 HG1 THR 36 49.572 4.163 2.583
247 1HG2 THR 36 3HG2 THR 36 52.784 2.396 3.111
248 2HG2 THR 36 2HG2 THR 36 51.457 2.302 4.270
249 3HG2 THR 36 1HG2 THR 36 51.739 0.973 3.144
250 H ILE 37 H ILE 37 50.440 0.499 0.377
251 HA ILE 37 HA ILE 37 52.558 -1.255 0.789
252 HB ILE 37 HB ILE 37 50.282 -1.511 -1.167
253 1HG1 ILE 37 2HG1 ILE 37 50.553 -2.344 1.708
254 2HG1 ILE 37 1HG1 ILE 37 49.486 -1.099 1.076
255 1HG2 ILE 37 1HG2 ILE 37 52.528 -3.173 -0.786
256 2HG2 ILE 37 3HG2 ILE 37 51.158 -3.991 -0.033
257 3HG2 ILE 37 2HG2 ILE 37 51.076 -3.516 -1.731
258 1HD1 ILE 37 3HD1 ILE 37 48.480 -2.975 -0.378
259 2HD1 ILE 37 2HD1 ILE 37 49.310 -4.083 0.715
260 3HD1 ILE 37 1HD1 ILE 37 48.088 -2.975 1.343
261 H GLY 38 H GLY 38 51.851 0.822 -1.902
262 1HA GLY 38 2HA GLY 38 53.537 -0.448 -3.828
263 2HA GLY 38 1HA GLY 38 52.893 1.191 -3.920
264 H ILE 39 H ILE 39 54.050 1.789 -1.225
265 HA ILE 39 HA ILE 39 56.724 2.506 -2.181
266 HB ILE 39 HB ILE 39 55.670 3.297 0.496
267 1HG1 ILE 39 2HG1 ILE 39 53.769 3.826 -0.790
268 2HG1 ILE 39 1HG1 ILE 39 54.657 5.318 -0.590
269 1HG2 ILE 39 3HG2 ILE 39 57.982 3.835 -0.524
270 2HG2 ILE 39 2HG2 ILE 39 57.092 5.019 -1.486
271 3HG2 ILE 39 1HG2 ILE 39 57.074 5.121 0.276
272 1HD1 ILE 39 2HD1 ILE 39 55.670 4.907 -2.870
273 2HD1 ILE 39 1HD1 ILE 39 54.494 3.602 -3.064
274 3HD1 ILE 39 3HD1 ILE 39 53.945 5.263 -2.856
275 H LYS 40 H LYS 40 55.165 0.855 0.507
276 HA LYS 40 HA LYS 40 57.402 0.163 1.994
277 1HB LYS 40 2HB LYS 40 54.779 -0.245 2.283
278 2HB LYS 40 1HB LYS 40 55.234 -1.836 1.704
279 1HG LYS 40 2HG LYS 40 55.728 -2.275 3.850
280 2HG LYS 40 1HG LYS 40 57.162 -1.284 3.595
281 1HD LYS 40 2HD LYS 40 54.527 -0.065 4.380
282 2HD LYS 40 1HD LYS 40 55.624 -0.717 5.595
283 1HE LYS 40 2HE LYS 40 56.131 1.563 3.668
284 2HE LYS 40 1HE LYS 40 56.068 1.635 5.427
285 1HZ LYS 40 1HZ LYS 40 58.015 0.016 5.336
286 2HZ LYS 40 3HZ LYS 40 58.177 0.488 3.717
287 3HZ LYS 40 2HZ LYS 40 58.313 1.644 4.952
288 H LEU 41 H LEU 41 56.135 -1.161 -0.969
289 HA LEU 41 HA LEU 41 57.622 -3.586 -0.994
290 1HB LEU 41 2HB LEU 41 56.102 -1.974 -2.985
291 2HB LEU 41 1HB LEU 41 57.211 -3.197 -3.592
292 HG LEU 41 HG LEU 41 54.923 -3.629 -1.665
293 1HD1 LEU 41 2HD1 LEU 41 54.652 -3.305 -4.283
294 2HD1 LEU 41 1HD1 LEU 41 55.119 -5.007 -4.290
295 3HD1 LEU 41 3HD1 LEU 41 53.696 -4.487 -3.386
296 1HD2 LEU 41 2HD2 LEU 41 57.234 -5.328 -2.368
297 2HD2 LEU 41 1HD2 LEU 41 56.197 -5.351 -0.940
298 3HD2 LEU 41 3HD2 LEU 41 55.660 -6.121 -2.432
299 H PHE 42 H PHE 42 58.133 -0.445 -2.589
300 HA PHE 42 HA PHE 42 60.533 -0.965 -3.872
301 1HB PHE 42 2HB PHE 42 59.078 1.120 -3.982
302 2HB PHE 42 1HB PHE 42 59.905 1.647 -2.522
303 HD1 PHE 42 HD2 PHE 42 60.260 0.938 -6.105
304 HD2 PHE 42 HD1 PHE 42 62.213 2.345 -2.580
305 HE1 PHE 42 HE2 PHE 42 62.104 1.822 -7.480
306 HE2 PHE 42 HE1 PHE 42 64.056 3.230 -3.955
307 HZ PHE 42 HZ PHE 42 64.003 2.968 -6.405
308 H LYS 43 H LYS 43 60.043 0.368 -0.614
309 HA LYS 43 HA LYS 43 62.752 0.542 0.101
310 1HB LYS 43 2HB LYS 43 60.227 0.324 1.708
311 2HB LYS 43 1HB LYS 43 61.813 0.613 2.429
312 1HG LYS 43 2HG LYS 43 61.326 2.334 0.136
313 2HG LYS 43 1HG LYS 43 60.085 2.517 1.357
314 1HD LYS 43 2HD LYS 43 61.716 3.064 3.061
315 2HD LYS 43 1HD LYS 43 63.044 2.670 1.975
316 1HE LYS 43 2HE LYS 43 61.480 5.145 2.227
317 2HE LYS 43 1HE LYS 43 63.116 4.893 1.620
318 1HZ LYS 43 2HZ LYS 43 62.133 4.074 -0.464
319 2HZ LYS 43 1HZ LYS 43 60.585 4.446 0.129
320 3HZ LYS 43 3HZ LYS 43 61.712 5.686 -0.134
321 H LYS 44 H LYS 44 60.759 -2.222 -0.237
322 HA LYS 44 HA LYS 44 62.062 -3.836 1.763
323 1HB LYS 44 2HB LYS 44 59.762 -4.300 1.102
324 2HB LYS 44 1HB LYS 44 60.269 -4.609 -0.547
325 1HG LYS 44 2HG LYS 44 61.821 -6.222 1.259
326 2HG LYS 44 1HG LYS 44 60.101 -6.454 1.576
327 1HD LYS 44 2HD LYS 44 60.019 -6.563 -1.096
328 2HD LYS 44 1HD LYS 44 61.684 -7.093 -0.880
329 1HE LYS 44 2HE LYS 44 59.731 -8.876 -0.945
330 2HE LYS 44 1HE LYS 44 61.080 -9.077 0.167
331 1HZ LYS 44 3HZ LYS 44 58.591 -7.686 0.957
332 2HZ LYS 44 2HZ LYS 44 58.763 -9.370 1.086
333 3HZ LYS 44 1HZ LYS 44 59.795 -8.339 1.956
334 H PHE 45 H PHE 45 62.056 -3.858 -1.800
335 HA PHE 45 HA PHE 45 64.074 -5.791 -2.128
336 1HB PHE 45 2HB PHE 45 62.810 -3.702 -3.818
337 2HB PHE 45 1HB PHE 45 64.333 -4.372 -4.357
338 HD1 PHE 45 HD1 PHE 45 64.543 -6.896 -4.663
339 HD2 PHE 45 HD2 PHE 45 60.769 -4.933 -4.104
340 HE1 PHE 45 HE1 PHE 45 63.373 -8.857 -5.567
341 HE2 PHE 45 HE2 PHE 45 59.622 -6.904 -5.013
342 HZ PHE 45 HZ PHE 45 60.917 -8.865 -5.743
343 H THR 46 H THR 46 64.199 -2.314 -1.681
344 HA THR 46 HA THR 46 67.031 -2.174 -2.222
345 HB THR 46 HB THR 46 66.766 0.175 -1.774
346 HG1 THR 46 HG1 THR 46 65.371 0.634 -0.270
347 1HG2 THR 46 1HG2 THR 46 65.338 -1.269 -3.738
348 2HG2 THR 46 3HG2 THR 46 64.290 0.046 -3.198
349 3HG2 THR 46 2HG2 THR 46 65.904 0.403 -3.816
350 H SER 47 H SER 47 65.477 -3.477 0.296
351 HA SER 47 HA SER 47 67.501 -2.529 2.229
352 1HB SER 47 2HB SER 47 65.919 -2.643 3.994
353 2HB SER 47 1HB SER 47 65.153 -1.737 2.695
354 HG SER 47 HG SER 47 63.647 -3.219 2.723
355 H LYS 48 H LYS 48 67.172 -4.952 0.329
356 HA LYS 48 HA LYS 48 66.779 -7.263 1.837
357 1HB LYS 48 2HB LYS 48 68.335 -6.697 -0.671
358 2HB LYS 48 1HB LYS 48 68.287 -8.309 0.035
359 1HG LYS 48 2HG LYS 48 65.681 -6.931 -0.371
360 2HG LYS 48 1HG LYS 48 66.535 -7.474 -1.810
361 1HD LYS 48 2HD LYS 48 65.036 -9.226 -1.099
362 2HD LYS 48 1HD LYS 48 66.693 -9.748 -0.819
363 1HE LYS 48 2HE LYS 48 65.270 -8.388 1.421
364 2HE LYS 48 1HE LYS 48 64.791 -10.033 1.023
365 1HZ LYS 48 1HZ LYS 48 67.564 -9.162 1.620
366 2HZ LYS 48 3HZ LYS 48 66.534 -9.956 2.706
367 3HZ LYS 48 2HZ LYS 48 67.060 -10.750 1.299
368 H ALA 49 H ALA 49 69.840 -5.686 0.928
369 HA ALA 49 HA ALA 49 71.587 -7.301 2.292
370 1HB ALA 49 1HB ALA 49 71.634 -4.432 1.478
371 2HB ALA 49 3HB ALA 49 72.915 -5.042 2.527
372 3HB ALA 49 2HB ALA 49 72.653 -5.769 0.939
373 H SER 50 H SER 50 72.024 -7.665 4.380
374 HA SER 50 HA SER 50 71.875 -7.578 6.667
375 1HB SER 50 2HB SER 50 71.653 -4.593 6.367
376 2HB SER 50 1HB SER 50 72.377 -5.510 7.683
377 HG SER 50 HG SER 50 73.988 -4.681 6.286
No H/Q in entry = 377
Start of MODEL 6
1 1H ALA 1 1H ALA 1 34.221 16.317 28.681
2 2H ALA 1 3H ALA 1 34.806 15.508 27.309
3 3H ALA 1 2H ALA 1 33.522 16.610 27.160
4 HA ALA 1 HA ALA 1 31.988 15.215 28.091
5 1HB ALA 1 2HB ALA 1 32.973 14.324 25.905
6 2HB ALA 1 1HB ALA 1 33.906 13.199 26.895
7 3HB ALA 1 3HB ALA 1 32.141 13.132 26.911
8 H GLU 2 H GLU 2 32.277 12.460 28.735
9 HA GLU 2 HA GLU 2 34.118 11.840 30.709
10 1HB GLU 2 2HB GLU 2 32.632 12.168 32.740
11 2HB GLU 2 1HB GLU 2 33.358 13.625 32.064
12 1HG GLU 2 2HG GLU 2 31.210 13.964 30.770
13 2HG GLU 2 1HG GLU 2 30.514 12.662 31.737
14 H GLY 3 H GLY 3 33.950 9.717 31.060
15 1HA GLY 3 2HA GLY 3 33.066 7.599 31.249
16 2HA GLY 3 1HA GLY 3 31.468 8.335 31.356
17 H ASP 4 H ASP 4 31.307 6.174 29.984
18 HA ASP 4 HA ASP 4 31.680 6.822 27.129
19 1HB ASP 4 2HB ASP 4 32.663 4.684 28.215
20 2HB ASP 4 1HB ASP 4 31.001 4.094 28.180
21 H ASP 5 H ASP 5 29.593 8.080 28.424
22 HA ASP 5 HA ASP 5 27.392 7.406 26.815
23 1HB ASP 5 2HB ASP 5 27.202 5.493 28.355
24 2HB ASP 5 1HB ASP 5 27.100 6.612 29.715
25 HA PRO 6 HA PRO 6 27.270 11.573 28.754
26 1HB PRO 6 2HB PRO 6 27.477 13.013 26.478
27 2HB PRO 6 1HB PRO 6 28.876 12.409 27.377
28 1HG PRO 6 2HG PRO 6 27.765 11.497 24.816
29 2HG PRO 6 1HG PRO 6 29.399 11.310 25.469
30 1HD PRO 6 2HD PRO 6 27.323 9.361 25.406
31 2HD PRO 6 1HD PRO 6 28.928 9.214 26.146
32 H ALA 7 H ALA 7 25.341 9.815 26.623
33 HA ALA 7 HA ALA 7 23.038 9.835 26.397
34 1HB ALA 7 2HB ALA 7 23.203 11.571 28.424
35 2HB ALA 7 1HB ALA 7 22.737 12.696 27.147
36 3HB ALA 7 3HB ALA 7 21.707 11.314 27.524
37 H LYS 8 H LYS 8 24.664 12.886 25.581
38 HA LYS 8 HA LYS 8 23.089 13.490 23.324
39 1HB LYS 8 2HB LYS 8 24.632 15.199 22.899
40 2HB LYS 8 1HB LYS 8 24.663 15.015 24.643
41 1HG LYS 8 2HG LYS 8 26.731 13.797 24.560
42 2HG LYS 8 1HG LYS 8 26.669 13.682 22.804
43 1HD LYS 8 2HD LYS 8 27.273 16.071 24.537
44 2HD LYS 8 1HD LYS 8 28.212 15.412 23.205
45 1HE LYS 8 2HE LYS 8 25.648 17.020 23.045
46 2HE LYS 8 1HE LYS 8 27.244 17.470 22.448
47 1HZ LYS 8 1HZ LYS 8 26.311 14.993 21.347
48 2HZ LYS 8 3HZ LYS 8 25.272 16.287 21.001
49 3HZ LYS 8 2HZ LYS 8 26.911 16.375 20.565
50 H ALA 9 H ALA 9 26.060 11.643 23.752
51 HA ALA 9 HA ALA 9 26.652 11.251 21.012
52 1HB ALA 9 2HB ALA 9 27.467 10.012 23.585
53 2HB ALA 9 1HB ALA 9 27.726 9.062 22.121
54 3HB ALA 9 3HB ALA 9 28.460 10.659 22.277
55 H ALA 10 H ALA 10 24.482 9.682 23.249
56 HA ALA 10 HA ALA 10 23.966 7.356 21.674
57 1HB ALA 10 1HB ALA 10 23.510 7.540 24.125
58 2HB ALA 10 3HB ALA 10 22.183 8.642 23.751
59 3HB ALA 10 2HB ALA 10 22.125 6.970 23.191
60 H PHE 11 H PHE 11 22.280 10.447 22.132
61 HA PHE 11 HA PHE 11 20.143 9.938 20.356
62 1HB PHE 11 2HB PHE 11 20.636 11.873 22.119
63 2HB PHE 11 1HB PHE 11 21.183 12.706 20.675
64 HD1 PHE 11 HD2 PHE 11 19.581 12.924 18.704
65 HD2 PHE 11 HD1 PHE 11 18.305 11.663 22.596
66 HE1 PHE 11 HE2 PHE 11 17.255 13.474 18.131
67 HE2 PHE 11 HE1 PHE 11 15.986 12.218 22.005
68 HZ PHE 11 HZ PHE 11 15.458 13.121 19.777
69 H ASN 12 H ASN 12 23.405 11.095 19.908
70 HA ASN 12 HA ASN 12 22.993 11.847 17.138
71 1HB ASN 12 2HB ASN 12 24.939 12.396 19.106
72 2HB ASN 12 1HB ASN 12 25.765 11.501 17.831
73 1HD2 ASN 12 2HD2 ASN 12 26.124 14.801 16.541
74 2HD2 ASN 12 1HD2 ASN 12 26.855 13.620 17.570
75 H SER 13 H SER 13 23.905 9.033 18.924
76 HA SER 13 HA SER 13 25.358 7.625 16.949
77 1HB SER 13 2HB SER 13 24.775 7.116 19.527
78 2HB SER 13 1HB SER 13 23.578 6.082 18.742
79 HG SER 13 HG SER 13 25.203 4.977 17.724
80 H LEU 14 H LEU 14 21.995 8.303 17.331
81 HA LEU 14 HA LEU 14 21.029 6.168 15.674
82 1HB LEU 14 2HB LEU 14 19.518 8.712 16.120
83 2HB LEU 14 1HB LEU 14 18.904 7.070 15.965
84 HG LEU 14 HG LEU 14 20.427 8.212 18.324
85 1HD1 LEU 14 2HD1 LEU 14 17.536 7.375 18.023
86 2HD1 LEU 14 1HD1 LEU 14 18.311 7.762 19.558
87 3HD1 LEU 14 3HD1 LEU 14 18.149 9.006 18.317
88 1HD2 LEU 14 2HD2 LEU 14 19.319 5.425 17.905
89 2HD2 LEU 14 1HD2 LEU 14 21.024 5.869 18.017
90 3HD2 LEU 14 3HD2 LEU 14 19.971 6.040 19.423
91 H GLN 15 H GLN 15 21.803 9.574 15.248
92 HA GLN 15 HA GLN 15 20.996 9.638 12.475
93 1HB GLN 15 2HB GLN 15 20.811 11.622 13.873
94 2HB GLN 15 1HB GLN 15 22.543 11.606 14.164
95 1HG GLN 15 2HG GLN 15 22.082 13.235 12.448
96 2HG GLN 15 1HG GLN 15 22.889 11.860 11.698
97 1HE2 GLN 15 2HD2 GLN 15 20.330 12.027 9.305
98 2HE2 GLN 15 1HD2 GLN 15 21.994 12.322 9.667
99 H ALA 16 H ALA 16 23.909 9.121 14.297
100 HA ALA 16 HA ALA 16 25.632 9.323 11.955
101 1HB ALA 16 2HB ALA 16 26.017 9.692 14.677
102 2HB ALA 16 1HB ALA 16 26.844 8.171 14.331
103 3HB ALA 16 3HB ALA 16 27.276 9.632 13.442
104 H SER 17 H SER 17 23.480 7.119 12.547
105 HA SER 17 HA SER 17 25.186 4.743 12.354
106 1HB SER 17 2HB SER 17 23.227 4.799 13.919
107 2HB SER 17 1HB SER 17 22.174 4.901 12.511
108 HG SER 17 HG SER 17 22.484 2.826 12.173
109 H ALA 18 H ALA 18 24.913 6.747 10.197
110 HA ALA 18 HA ALA 18 23.523 5.213 8.110
111 1HB ALA 18 3HB ALA 18 23.117 7.697 8.419
112 2HB ALA 18 2HB ALA 18 24.768 7.943 7.844
113 3HB ALA 18 1HB ALA 18 23.570 7.186 6.792
114 H THR 19 H THR 19 25.435 3.698 8.588
115 HA THR 19 HA THR 19 27.999 4.396 7.508
116 HB THR 19 HB THR 19 28.413 1.915 7.688
117 HG1 THR 19 HG1 THR 19 25.903 1.853 8.990
118 1HG2 THR 19 3HG2 THR 19 27.552 3.606 10.017
119 2HG2 THR 19 2HG2 THR 19 28.009 1.922 10.277
120 3HG2 THR 19 1HG2 THR 19 29.170 3.049 9.574
121 H GLU 20 H GLU 20 25.102 3.813 5.989
122 HA GLU 20 HA GLU 20 26.022 2.225 3.791
123 1HB GLU 20 2HB GLU 20 23.561 2.990 4.782
124 2HB GLU 20 1HB GLU 20 23.691 3.886 3.271
125 1HG GLU 20 2HG GLU 20 22.630 1.662 2.972
126 2HG GLU 20 1HG GLU 20 24.120 1.833 2.044
127 H TYR 21 H TYR 21 26.503 5.417 4.660
128 HA TYR 21 HA TYR 21 26.810 6.328 1.883
129 1HB TYR 21 2HB TYR 21 26.470 7.721 4.506
130 2HB TYR 21 1HB TYR 21 27.266 8.559 3.183
131 HD1 TYR 21 HD2 TYR 21 26.025 8.973 1.057
132 HD2 TYR 21 HD1 TYR 21 24.111 7.352 4.518
133 HE1 TYR 21 HE2 TYR 21 23.823 9.544 0.115
134 HE2 TYR 21 HE1 TYR 21 21.914 7.927 3.567
135 HH TYR 21 HH TYR 21 20.894 8.371 1.418
136 H ILE 22 H ILE 22 28.595 5.417 4.708
137 HA ILE 22 HA ILE 22 31.064 6.651 3.782
138 HB ILE 22 HB ILE 22 30.405 4.878 6.131
139 1HG1 ILE 22 2HG1 ILE 22 29.605 7.333 6.052
140 2HG1 ILE 22 1HG1 ILE 22 30.490 6.819 7.497
141 1HG2 ILE 22 1HG2 ILE 22 32.732 4.477 5.427
142 2HG2 ILE 22 3HG2 ILE 22 33.058 6.210 5.520
143 3HG2 ILE 22 2HG2 ILE 22 32.667 5.307 6.985
144 1HD1 ILE 22 1HD1 ILE 22 32.477 7.771 5.760
145 2HD1 ILE 22 3HD1 ILE 22 31.137 8.907 5.590
146 3HD1 ILE 22 2HD1 ILE 22 31.825 8.581 7.180
147 H GLY 23 H GLY 23 29.403 3.714 3.246
148 1HA GLY 23 2HA GLY 23 31.516 1.882 2.983
149 2HA GLY 23 1HA GLY 23 29.968 1.785 2.141
150 H TYR 24 H TYR 24 30.312 4.403 0.886
151 HA TYR 24 HA TYR 24 31.403 3.684 -1.565
152 1HB TYR 24 2HB TYR 24 30.792 6.290 -0.245
153 2HB TYR 24 1HB TYR 24 31.677 6.294 -1.761
154 HD1 TYR 24 HD1 TYR 24 30.649 5.033 -3.748
155 HD2 TYR 24 HD2 TYR 24 28.422 6.080 -0.243
156 HE1 TYR 24 HE1 TYR 24 28.544 4.771 -4.994
157 HE2 TYR 24 HE2 TYR 24 26.330 5.814 -1.505
158 HH TYR 24 HH TYR 24 26.112 5.769 -4.739
159 H ALA 25 H ALA 25 32.945 4.864 1.316
160 HA ALA 25 HA ALA 25 35.462 5.442 -0.019
161 1HB ALA 25 3HB ALA 25 34.334 5.800 2.693
162 2HB ALA 25 2HB ALA 25 36.075 5.527 2.606
163 3HB ALA 25 1HB ALA 25 35.349 6.881 1.737
164 H TRP 26 H TRP 26 33.943 2.842 1.719
165 HA TRP 26 HA TRP 26 36.163 1.379 2.563
166 1HB TRP 26 2HB TRP 26 33.331 0.893 2.151
167 2HB TRP 26 1HB TRP 26 34.300 -0.510 1.746
168 HD1 TRP 26 1HD TRP 26 32.597 0.916 4.620
169 HE1 TRP 26 1HE TRP 26 33.575 0.044 6.809
170 HE3 TRP 26 3HE TRP 26 36.967 -1.118 2.895
171 HZ2 TRP 26 2HZ TRP 26 35.852 -1.316 7.725
172 HZ3 TRP 26 3HZ TRP 26 38.504 -2.194 4.489
173 HH2 TRP 26 HH2 TRP 26 37.955 -2.292 6.885
174 H ALA 27 H ALA 27 34.701 1.723 -0.595
175 HA ALA 27 HA ALA 27 36.135 -0.432 -1.833
176 1HB ALA 27 3HB ALA 27 34.472 1.863 -2.803
177 2HB ALA 27 2HB ALA 27 35.463 0.958 -3.948
178 3HB ALA 27 1HB ALA 27 34.216 0.130 -3.014
179 H MET 28 H MET 28 36.505 3.105 -1.756
180 HA MET 28 HA MET 28 38.845 3.223 -3.307
181 1HB MET 28 2HB MET 28 37.120 5.039 -2.575
182 2HB MET 28 1HB MET 28 38.166 5.187 -1.169
183 1HG MET 28 2HG MET 28 38.746 6.801 -2.904
184 2HG MET 28 1HG MET 28 40.059 5.677 -2.593
185 1HE MET 28 1HE MET 28 36.932 6.329 -4.816
186 2HE MET 28 3HE MET 28 38.177 7.473 -5.336
187 3HE MET 28 2HE MET 28 37.633 6.200 -6.428
188 H VAL 29 H VAL 29 38.226 2.925 0.150
189 HA VAL 29 HA VAL 29 40.784 3.351 1.153
190 HB VAL 29 HB VAL 29 38.553 1.554 2.087
191 1HG1 VAL 29 3HG1 VAL 29 40.725 0.813 3.003
192 2HG1 VAL 29 2HG1 VAL 29 40.978 2.434 3.650
193 3HG1 VAL 29 1HG1 VAL 29 39.640 1.445 4.241
194 1HG2 VAL 29 1HG2 VAL 29 38.556 4.236 1.944
195 2HG2 VAL 29 3HG2 VAL 29 37.720 3.339 3.213
196 3HG2 VAL 29 2HG2 VAL 29 39.316 4.025 3.523
197 H VAL 30 H VAL 30 39.400 0.587 -0.476
198 HA VAL 30 HA VAL 30 41.412 -1.298 0.206
199 HB VAL 30 HB VAL 30 39.463 -1.168 -2.091
200 1HG1 VAL 30 3HG1 VAL 30 41.363 -3.298 -1.189
201 2HG1 VAL 30 2HG1 VAL 30 39.874 -3.704 -2.046
202 3HG1 VAL 30 1HG1 VAL 30 41.083 -2.673 -2.813
203 1HG2 VAL 30 2HG2 VAL 30 38.802 -1.355 0.486
204 2HG2 VAL 30 1HG2 VAL 30 37.928 -2.221 -0.778
205 3HG2 VAL 30 3HG2 VAL 30 39.155 -3.056 0.177
206 H VAL 31 H VAL 31 41.041 1.151 -2.258
207 HA VAL 31 HA VAL 31 43.236 0.233 -3.869
208 HB VAL 31 HB VAL 31 41.637 2.784 -3.868
209 1HG1 VAL 31 3HG1 VAL 31 43.996 1.946 -5.400
210 2HG1 VAL 31 2HG1 VAL 31 42.661 2.579 -6.365
211 3HG1 VAL 31 1HG1 VAL 31 43.363 3.560 -5.076
212 1HG2 VAL 31 3HG2 VAL 31 40.428 0.650 -4.406
213 2HG2 VAL 31 2HG2 VAL 31 40.433 1.839 -5.712
214 3HG2 VAL 31 1HG2 VAL 31 41.520 0.449 -5.779
215 H ILE 32 H ILE 32 42.912 2.061 -1.024
216 HA ILE 32 HA ILE 32 45.308 3.651 -1.407
217 HB ILE 32 HB ILE 32 43.563 3.233 1.017
218 1HG1 ILE 32 2HG1 ILE 32 43.667 5.444 -1.040
219 2HG1 ILE 32 1HG1 ILE 32 42.344 4.314 -0.768
220 1HG2 ILE 32 2HG2 ILE 32 45.837 5.147 0.498
221 2HG2 ILE 32 1HG2 ILE 32 44.681 5.332 1.819
222 3HG2 ILE 32 3HG2 ILE 32 45.730 3.915 1.757
223 1HD1 ILE 32 3HD1 ILE 32 42.702 5.408 1.731
224 2HD1 ILE 32 2HD1 ILE 32 43.028 6.777 0.665
225 3HD1 ILE 32 1HD1 ILE 32 41.486 5.924 0.560
226 H VAL 33 H VAL 33 44.392 0.600 -0.019
227 HA VAL 33 HA VAL 33 46.627 0.253 1.688
228 HB VAL 33 HB VAL 33 44.634 -1.622 0.428
229 1HG1 VAL 33 2HG1 VAL 33 47.147 -2.266 1.637
230 2HG1 VAL 33 1HG1 VAL 33 45.823 -2.875 2.631
231 3HG1 VAL 33 3HG1 VAL 33 45.936 -3.337 0.932
232 1HG2 VAL 33 2HG2 VAL 33 44.813 -0.075 2.922
233 2HG2 VAL 33 1HG2 VAL 33 43.398 -0.651 2.040
234 3HG2 VAL 33 3HG2 VAL 33 44.275 -1.746 3.112
235 H GLY 34 H GLY 34 45.854 -1.236 -1.485
236 1HA GLY 34 2HA GLY 34 48.260 -2.505 -1.969
237 2HA GLY 34 1HA GLY 34 47.229 -1.837 -3.236
238 H ALA 35 H ALA 35 47.525 0.889 -2.040
239 HA ALA 35 HA ALA 35 49.731 1.773 -3.596
240 1HB ALA 35 2HB ALA 35 47.553 3.017 -2.771
241 2HB ALA 35 1HB ALA 35 48.592 3.467 -1.417
242 3HB ALA 35 3HB ALA 35 49.048 3.909 -3.064
243 H THR 36 H THR 36 49.359 0.794 -0.279
244 HA THR 36 HA THR 36 51.799 2.013 0.642
245 HB THR 36 HB THR 36 49.637 1.232 1.961
246 HG1 THR 36 HG1 THR 36 51.325 2.391 2.877
247 1HG2 THR 36 1HG2 THR 36 51.464 -1.166 2.181
248 2HG2 THR 36 3HG2 THR 36 50.155 -0.806 3.307
249 3HG2 THR 36 2HG2 THR 36 49.795 -1.148 1.617
250 H ILE 37 H ILE 37 50.811 -1.339 -0.026
251 HA ILE 37 HA ILE 37 53.176 -2.668 0.390
252 HB ILE 37 HB ILE 37 51.124 -3.125 -1.759
253 1HG1 ILE 37 2HG1 ILE 37 51.430 -4.183 1.036
254 2HG1 ILE 37 1HG1 ILE 37 50.165 -3.112 0.450
255 1HG2 ILE 37 1HG2 ILE 37 53.240 -4.977 -0.667
256 2HG2 ILE 37 3HG2 ILE 37 51.923 -5.460 -1.740
257 3HG2 ILE 37 2HG2 ILE 37 53.155 -4.330 -2.308
258 1HD1 ILE 37 2HD1 ILE 37 50.635 -5.914 -0.581
259 2HD1 ILE 37 1HD1 ILE 37 49.450 -5.495 0.659
260 3HD1 ILE 37 3HD1 ILE 37 49.282 -4.850 -0.975
261 H GLY 38 H GLY 38 52.391 -0.469 -2.181
262 1HA GLY 38 2HA GLY 38 54.507 -1.264 -3.957
263 2HA GLY 38 1HA GLY 38 53.538 0.204 -4.071
264 H ILE 39 H ILE 39 53.992 1.691 -2.044
265 HA ILE 39 HA ILE 39 56.654 2.614 -2.360
266 HB ILE 39 HB ILE 39 54.642 3.349 -0.238
267 1HG1 ILE 39 2HG1 ILE 39 54.931 5.210 -2.441
268 2HG1 ILE 39 1HG1 ILE 39 54.397 3.629 -2.999
269 1HG2 ILE 39 1HG2 ILE 39 57.282 4.391 -1.034
270 2HG2 ILE 39 3HG2 ILE 39 56.028 5.595 -0.741
271 3HG2 ILE 39 2HG2 ILE 39 56.460 4.444 0.525
272 1HD1 ILE 39 1HD1 ILE 39 52.869 4.044 -0.732
273 2HD1 ILE 39 3HD1 ILE 39 52.950 5.646 -1.466
274 3HD1 ILE 39 2HD1 ILE 39 52.330 4.280 -2.396
275 H LYS 40 H LYS 40 55.164 0.402 -0.148
276 HA LYS 40 HA LYS 40 57.095 0.584 1.942
277 1HB LYS 40 2HB LYS 40 54.648 -0.604 1.657
278 2HB LYS 40 1HB LYS 40 55.728 -1.982 1.573
279 1HG LYS 40 2HG LYS 40 55.479 -1.861 3.830
280 2HG LYS 40 1HG LYS 40 56.776 -0.674 3.679
281 1HD LYS 40 2HD LYS 40 55.382 1.115 3.989
282 2HD LYS 40 1HD LYS 40 54.006 0.298 3.262
283 1HE LYS 40 2HE LYS 40 54.649 0.616 6.042
284 2HE LYS 40 1HE LYS 40 53.197 -0.043 5.298
285 1HZ LYS 40 2HZ LYS 40 55.666 -1.612 5.757
286 2HZ LYS 40 1HZ LYS 40 54.352 -1.576 6.833
287 3HZ LYS 40 3HZ LYS 40 54.148 -2.198 5.269
288 H LEU 41 H LEU 41 56.592 -1.520 -0.842
289 HA LEU 41 HA LEU 41 58.763 -3.269 -0.427
290 1HB LEU 41 2HB LEU 41 57.023 -2.504 -2.721
291 2HB LEU 41 1HB LEU 41 58.479 -3.425 -3.064
292 HG LEU 41 HG LEU 41 56.337 -4.218 -1.085
293 1HD1 LEU 41 1HD1 LEU 41 55.559 -4.283 -3.424
294 2HD1 LEU 41 3HD1 LEU 41 56.904 -5.354 -3.823
295 3HD1 LEU 41 2HD1 LEU 41 55.653 -5.890 -2.700
296 1HD2 LEU 41 2HD2 LEU 41 59.018 -5.124 -1.377
297 2HD2 LEU 41 1HD2 LEU 41 57.756 -5.760 -0.322
298 3HD2 LEU 41 3HD2 LEU 41 57.951 -6.406 -1.951
299 H PHE 42 H PHE 42 58.507 -0.139 -2.018
300 HA PHE 42 HA PHE 42 60.997 -0.118 -3.338
301 1HB PHE 42 2HB PHE 42 58.899 1.500 -3.395
302 2HB PHE 42 1HB PHE 42 59.861 2.398 -2.228
303 HD1 PHE 42 HD1 PHE 42 59.866 0.989 -5.657
304 HD2 PHE 42 HD2 PHE 42 61.694 3.709 -2.921
305 HE1 PHE 42 HE1 PHE 42 61.167 1.975 -7.505
306 HE2 PHE 42 HE2 PHE 42 62.994 4.694 -4.768
307 HZ PHE 42 HZ PHE 42 62.730 3.827 -7.060
308 H LYS 43 H LYS 43 60.031 1.021 -0.121
309 HA LYS 43 HA LYS 43 62.415 2.211 0.663
310 1HB LYS 43 2HB LYS 43 60.243 0.838 2.208
311 2HB LYS 43 1HB LYS 43 61.621 1.582 3.015
312 1HG LYS 43 2HG LYS 43 60.037 3.150 0.995
313 2HG LYS 43 1HG LYS 43 59.411 2.962 2.620
314 1HD LYS 43 2HD LYS 43 60.753 4.583 3.392
315 2HD LYS 43 1HD LYS 43 62.179 3.766 2.780
316 1HE LYS 43 2HE LYS 43 60.650 6.031 1.637
317 2HE LYS 43 1HE LYS 43 62.369 5.676 1.562
318 1HZ LYS 43 3HZ LYS 43 61.631 3.804 -0.016
319 2HZ LYS 43 2HZ LYS 43 60.199 4.701 -0.168
320 3HZ LYS 43 1HZ LYS 43 61.688 5.394 -0.597
321 H LYS 44 H LYS 44 61.475 -1.198 0.807
322 HA LYS 44 HA LYS 44 63.822 -1.958 2.275
323 1HB LYS 44 2HB LYS 44 61.447 -3.116 2.053
324 2HB LYS 44 1HB LYS 44 62.215 -3.930 0.700
325 1HG LYS 44 2HG LYS 44 63.973 -4.076 2.983
326 2HG LYS 44 1HG LYS 44 62.350 -4.585 3.459
327 1HD LYS 44 2HD LYS 44 63.780 -6.485 2.581
328 2HD LYS 44 1HD LYS 44 62.311 -6.236 1.626
329 1HE LYS 44 2HE LYS 44 64.319 -6.618 0.207
330 2HE LYS 44 1HE LYS 44 63.617 -5.024 -0.082
331 1HZ LYS 44 2HZ LYS 44 65.298 -4.192 1.583
332 2HZ LYS 44 1HZ LYS 44 66.053 -5.709 1.455
333 3HZ LYS 44 3HZ LYS 44 65.916 -4.712 0.090
334 H PHE 45 H PHE 45 62.755 -2.473 -1.099
335 HA PHE 45 HA PHE 45 65.062 -3.757 -2.035
336 1HB PHE 45 2HB PHE 45 62.825 -2.232 -3.256
337 2HB PHE 45 1HB PHE 45 64.259 -2.485 -4.223
338 HD1 PHE 45 HD2 PHE 45 65.038 -4.807 -4.760
339 HD2 PHE 45 HD1 PHE 45 61.310 -4.068 -2.778
340 HE1 PHE 45 HE2 PHE 45 64.283 -7.080 -5.304
341 HE2 PHE 45 HE1 PHE 45 60.575 -6.343 -3.331
342 HZ PHE 45 HZ PHE 45 62.057 -7.850 -4.592
343 H THR 46 H THR 46 64.283 -0.306 -1.819
344 HA THR 46 HA THR 46 66.793 0.453 -3.028
345 HB THR 46 HB THR 46 66.002 2.702 -2.732
346 HG1 THR 46 HG1 THR 46 64.015 3.061 -1.634
347 1HG2 THR 46 3HG2 THR 46 64.763 0.779 -4.276
348 2HG2 THR 46 2HG2 THR 46 63.416 1.593 -3.478
349 3HG2 THR 46 1HG2 THR 46 64.563 2.525 -4.441
350 H SER 47 H SER 47 65.839 -0.492 0.062
351 HA SER 47 HA SER 47 67.465 1.299 1.606
352 1HB SER 47 2HB SER 47 65.759 0.383 2.868
353 2HB SER 47 1HB SER 47 65.931 -1.210 2.140
354 HG SER 47 HG SER 47 67.508 -1.673 3.529
355 H LYS 48 H LYS 48 68.036 -1.569 -0.220
356 HA LYS 48 HA LYS 48 70.077 -2.897 0.946
357 1HB LYS 48 2HB LYS 48 69.382 -2.246 -1.841
358 2HB LYS 48 1HB LYS 48 71.050 -2.745 -1.586
359 1HG LYS 48 2HG LYS 48 70.346 -4.847 -0.631
360 2HG LYS 48 1HG LYS 48 68.656 -4.330 -0.621
361 1HD LYS 48 2HD LYS 48 68.868 -5.728 -2.497
362 2HD LYS 48 1HD LYS 48 68.877 -4.088 -3.137
363 1HE LYS 48 2HE LYS 48 70.673 -4.945 -4.279
364 2HE LYS 48 1HE LYS 48 71.497 -4.364 -2.835
365 1HZ LYS 48 1HZ LYS 48 70.771 -6.826 -2.088
366 2HZ LYS 48 3HZ LYS 48 71.039 -7.069 -3.745
367 3HZ LYS 48 2HZ LYS 48 72.280 -6.441 -2.769
368 H ALA 49 H ALA 49 70.595 -0.058 -1.144
369 HA ALA 49 HA ALA 49 72.193 1.591 -1.096
370 1HB ALA 49 1HB ALA 49 71.737 1.247 1.493
371 2HB ALA 49 3HB ALA 49 73.371 0.582 1.451
372 3HB ALA 49 2HB ALA 49 73.079 2.241 0.923
373 H SER 50 H SER 50 74.691 1.804 -0.908
374 HA SER 50 HA SER 50 75.868 -0.052 -2.647
375 1HB SER 50 2HB SER 50 77.111 1.961 -0.776
376 2HB SER 50 1HB SER 50 78.020 1.049 -1.976
377 HG SER 50 HG SER 50 76.787 3.305 -2.372
No H/Q in entry = 377
Start of MODEL 7
1 1H ALA 1 1H ALA 1 16.514 -8.784 28.455
2 2H ALA 1 3H ALA 1 15.673 -9.026 29.908
3 3H ALA 1 2H ALA 1 17.119 -8.133 29.902
4 HA ALA 1 HA ALA 1 18.365 -9.921 30.119
5 1HB ALA 1 3HB ALA 1 16.474 -10.538 31.636
6 2HB ALA 1 2HB ALA 1 15.734 -11.422 30.301
7 3HB ALA 1 1HB ALA 1 17.286 -11.951 30.953
8 H GLU 2 H GLU 2 15.757 -10.456 27.809
9 HA GLU 2 HA GLU 2 17.369 -11.136 25.669
10 1HB GLU 2 2HB GLU 2 17.080 -13.289 27.552
11 2HB GLU 2 1HB GLU 2 16.327 -13.729 26.020
12 1HG GLU 2 2HG GLU 2 18.350 -13.370 24.817
13 2HG GLU 2 1HG GLU 2 19.106 -12.566 26.193
14 H GLY 3 H GLY 3 15.149 -9.604 25.974
15 1HA GLY 3 2HA GLY 3 13.507 -10.334 23.851
16 2HA GLY 3 1HA GLY 3 12.688 -10.840 25.328
17 H ASP 4 H ASP 4 13.054 -8.345 23.173
18 HA ASP 4 HA ASP 4 11.988 -6.389 25.107
19 1HB ASP 4 2HB ASP 4 14.471 -6.146 24.109
20 2HB ASP 4 1HB ASP 4 13.559 -5.350 22.826
21 H ASP 5 H ASP 5 12.567 -6.539 21.614
22 HA ASP 5 HA ASP 5 9.827 -6.730 20.915
23 1HB ASP 5 2HB ASP 5 10.197 -4.295 21.775
24 2HB ASP 5 1HB ASP 5 10.981 -4.060 20.213
25 HA PRO 6 HA PRO 6 12.367 -7.846 17.371
26 1HB PRO 6 2HB PRO 6 10.621 -9.610 16.296
27 2HB PRO 6 1HB PRO 6 11.671 -9.994 17.668
28 1HG PRO 6 2HG PRO 6 8.774 -9.553 17.608
29 2HG PRO 6 1HG PRO 6 9.764 -10.389 18.813
30 1HD PRO 6 2HD PRO 6 8.699 -7.735 18.950
31 2HD PRO 6 1HD PRO 6 9.702 -8.575 20.147
32 H ALA 7 H ALA 7 9.937 -5.755 17.520
33 HA ALA 7 HA ALA 7 9.117 -5.761 14.723
34 1HB ALA 7 3HB ALA 7 8.290 -4.324 17.198
35 2HB ALA 7 2HB ALA 7 7.988 -3.542 15.645
36 3HB ALA 7 1HB ALA 7 7.302 -5.134 15.981
37 H LYS 8 H LYS 8 11.466 -4.268 16.755
38 HA LYS 8 HA LYS 8 11.890 -1.891 15.233
39 1HB LYS 8 2HB LYS 8 13.921 -3.266 16.979
40 2HB LYS 8 1HB LYS 8 13.767 -1.557 16.623
41 1HG LYS 8 2HG LYS 8 11.430 -2.809 17.968
42 2HG LYS 8 1HG LYS 8 12.909 -2.683 18.912
43 1HD LYS 8 2HD LYS 8 11.311 -0.713 19.093
44 2HD LYS 8 1HD LYS 8 12.989 -0.332 18.736
45 1HE LYS 8 2HE LYS 8 11.385 0.992 17.378
46 2HE LYS 8 1HE LYS 8 12.458 0.012 16.380
47 1HZ LYS 8 3HZ LYS 8 10.462 -1.680 16.660
48 2HZ LYS 8 2HZ LYS 8 9.585 -0.239 16.857
49 3HZ LYS 8 1HZ LYS 8 10.481 -0.506 15.437
50 H ALA 9 H ALA 9 13.058 -5.168 15.090
51 HA ALA 9 HA ALA 9 15.377 -5.029 13.650
52 1HB ALA 9 2HB ALA 9 13.069 -6.949 13.460
53 2HB ALA 9 1HB ALA 9 14.540 -7.164 12.506
54 3HB ALA 9 3HB ALA 9 14.623 -7.170 14.269
55 H ALA 10 H ALA 10 12.165 -4.252 12.546
56 HA ALA 10 HA ALA 10 12.985 -4.110 9.744
57 1HB ALA 10 2HB ALA 10 10.652 -4.847 10.770
58 2HB ALA 10 1HB ALA 10 10.340 -3.112 10.695
59 3HB ALA 10 3HB ALA 10 10.747 -3.999 9.225
60 H PHE 11 H PHE 11 11.731 -1.912 12.256
61 HA PHE 11 HA PHE 11 11.830 0.466 10.831
62 1HB PHE 11 2HB PHE 11 10.995 -0.052 13.234
63 2HB PHE 11 1HB PHE 11 12.633 0.357 13.714
64 HD1 PHE 11 HD1 PHE 11 13.509 2.669 13.357
65 HD2 PHE 11 HD2 PHE 11 9.444 1.637 12.464
66 HE1 PHE 11 HE1 PHE 11 12.912 5.050 13.277
67 HE2 PHE 11 HE2 PHE 11 8.867 4.026 12.387
68 HZ PHE 11 HZ PHE 11 10.596 5.731 12.792
69 H ASN 12 H ASN 12 14.401 -1.313 12.419
70 HA ASN 12 HA ASN 12 16.381 0.737 12.163
71 1HB ASN 12 2HB ASN 12 16.503 -1.099 13.831
72 2HB ASN 12 1HB ASN 12 16.769 -2.238 12.510
73 1HD2 ASN 12 2HD2 ASN 12 20.164 -1.589 12.280
74 2HD2 ASN 12 1HD2 ASN 12 18.802 -2.579 11.887
75 H SER 13 H SER 13 15.273 -1.931 10.198
76 HA SER 13 HA SER 13 17.368 -2.176 8.377
77 1HB SER 13 2HB SER 13 14.563 -2.362 7.410
78 2HB SER 13 1HB SER 13 15.923 -3.453 7.142
79 HG SER 13 HG SER 13 15.483 -4.485 8.951
80 H LEU 14 H LEU 14 15.051 0.360 8.761
81 HA LEU 14 HA LEU 14 15.395 1.361 6.062
82 1HB LEU 14 2HB LEU 14 14.155 3.034 8.186
83 2HB LEU 14 1HB LEU 14 13.718 2.862 6.491
84 HG LEU 14 HG LEU 14 13.226 0.830 8.681
85 1HD1 LEU 14 3HD1 LEU 14 11.366 2.695 7.202
86 2HD1 LEU 14 2HD1 LEU 14 10.812 1.319 8.155
87 3HD1 LEU 14 1HD1 LEU 14 11.685 2.639 8.939
88 1HD2 LEU 14 2HD2 LEU 14 13.694 -0.195 6.457
89 2HD2 LEU 14 1HD2 LEU 14 12.050 -0.491 7.025
90 3HD2 LEU 14 3HD2 LEU 14 12.347 0.728 5.786
91 H GLN 15 H GLN 15 16.310 2.309 9.347
92 HA GLN 15 HA GLN 15 17.637 4.708 8.627
93 1HB GLN 15 2HB GLN 15 16.839 4.294 10.882
94 2HB GLN 15 1HB GLN 15 17.941 2.935 11.047
95 1HG GLN 15 2HG GLN 15 19.039 4.703 12.138
96 2HG GLN 15 1HG GLN 15 19.807 4.638 10.554
97 1HE2 GLN 15 2HD2 GLN 15 19.177 8.157 10.903
98 2HE2 GLN 15 1HD2 GLN 15 20.290 6.922 11.373
99 H ALA 16 H ALA 16 18.685 1.368 8.959
100 HA ALA 16 HA ALA 16 21.450 1.716 8.902
101 1HB ALA 16 2HB ALA 16 19.654 -0.450 8.724
102 2HB ALA 16 1HB ALA 16 20.725 -0.570 7.326
103 3HB ALA 16 3HB ALA 16 21.403 -0.517 8.953
104 H SER 17 H SER 17 19.119 2.204 6.444
105 HA SER 17 HA SER 17 20.721 1.870 4.139
106 1HB SER 17 2HB SER 17 18.947 2.785 2.966
107 2HB SER 17 1HB SER 17 18.144 2.169 4.405
108 HG SER 17 HG SER 17 18.564 4.782 3.571
109 H ALA 18 H ALA 18 20.780 4.239 6.593
110 HA ALA 18 HA ALA 18 21.582 6.520 5.138
111 1HB ALA 18 2HB ALA 18 21.889 5.636 7.987
112 2HB ALA 18 1HB ALA 18 22.667 7.113 7.417
113 3HB ALA 18 3HB ALA 18 20.912 6.949 7.327
114 H THR 19 H THR 19 23.210 3.584 5.717
115 HA THR 19 HA THR 19 25.874 4.783 5.455
116 HB THR 19 HB THR 19 26.721 2.554 5.892
117 HG1 THR 19 HG1 THR 19 24.056 1.638 6.110
118 1HG2 THR 19 3HG2 THR 19 24.850 3.899 7.695
119 2HG2 THR 19 2HG2 THR 19 25.021 2.177 8.042
120 3HG2 THR 19 1HG2 THR 19 26.446 3.219 8.028
121 H GLU 20 H GLU 20 24.113 5.051 3.250
122 HA GLU 20 HA GLU 20 24.866 3.079 1.271
123 1HB GLU 20 2HB GLU 20 22.814 5.019 1.583
124 2HB GLU 20 1HB GLU 20 23.709 5.447 0.134
125 1HG GLU 20 2HG GLU 20 23.343 3.182 -0.772
126 2HG GLU 20 1HG GLU 20 22.448 2.749 0.691
127 H TYR 21 H TYR 21 26.412 5.654 2.633
128 HA TYR 21 HA TYR 21 27.843 6.381 0.166
129 1HB TYR 21 2HB TYR 21 27.445 7.771 2.792
130 2HB TYR 21 1HB TYR 21 28.705 8.263 1.670
131 HD1 TYR 21 HD1 TYR 21 25.083 7.963 2.213
132 HD2 TYR 21 HD2 TYR 21 28.134 9.420 -0.403
133 HE1 TYR 21 HE1 TYR 21 23.404 9.263 0.969
134 HE2 TYR 21 HE2 TYR 21 26.447 10.723 -1.635
135 HH TYR 21 HH TYR 21 24.124 10.825 -2.026
136 H ILE 22 H ILE 22 28.166 4.692 3.140
137 HA ILE 22 HA ILE 22 31.065 4.906 3.180
138 HB ILE 22 HB ILE 22 29.078 3.433 4.907
139 1HG1 ILE 22 2HG1 ILE 22 29.312 6.014 5.002
140 2HG1 ILE 22 1HG1 ILE 22 29.365 5.128 6.533
141 1HG2 ILE 22 3HG2 ILE 22 32.077 3.371 4.932
142 2HG2 ILE 22 2HG2 ILE 22 31.203 3.262 6.460
143 3HG2 ILE 22 1HG2 ILE 22 30.926 2.061 5.196
144 1HD1 ILE 22 1HD1 ILE 22 32.045 5.291 5.622
145 2HD1 ILE 22 3HD1 ILE 22 31.332 6.891 5.399
146 3HD1 ILE 22 2HD1 ILE 22 31.305 6.124 6.986
147 H GLY 23 H GLY 23 28.863 3.024 1.504
148 1HA GLY 23 2HA GLY 23 30.196 0.487 1.605
149 2HA GLY 23 1HA GLY 23 28.956 0.975 0.450
150 H TYR 24 H TYR 24 30.214 3.247 -0.617
151 HA TYR 24 HA TYR 24 31.950 2.041 -2.537
152 1HB TYR 24 2HB TYR 24 31.453 4.973 -2.046
153 2HB TYR 24 1HB TYR 24 32.101 4.248 -3.508
154 HD1 TYR 24 HD2 TYR 24 30.610 2.561 -4.757
155 HD2 TYR 24 HD1 TYR 24 29.108 5.277 -1.810
156 HE1 TYR 24 HE2 TYR 24 28.334 2.284 -5.647
157 HE2 TYR 24 HE1 TYR 24 26.842 4.987 -2.710
158 HH TYR 24 HH TYR 24 26.123 2.622 -5.194
159 H ALA 25 H ALA 25 32.416 3.909 0.378
160 HA ALA 25 HA ALA 25 35.092 4.696 0.017
161 1HB ALA 25 3HB ALA 25 33.345 5.296 1.876
162 2HB ALA 25 2HB ALA 25 34.055 3.914 2.714
163 3HB ALA 25 1HB ALA 25 35.068 5.285 2.258
164 H TRP 26 H TRP 26 33.676 1.627 0.742
165 HA TRP 26 HA TRP 26 35.843 0.348 2.000
166 1HB TRP 26 2HB TRP 26 33.299 -0.407 0.906
167 2HB TRP 26 1HB TRP 26 34.524 -1.546 0.377
168 HD1 TRP 26 1HD TRP 26 32.348 -0.769 3.289
169 HE1 TRP 26 1HE TRP 26 33.029 -2.186 5.294
170 HE3 TRP 26 3HE TRP 26 36.829 -2.589 1.606
171 HZ2 TRP 26 2HZ TRP 26 35.139 -3.858 6.095
172 HZ3 TRP 26 3HZ TRP 26 38.128 -4.103 3.050
173 HH2 TRP 26 HH2 TRP 26 37.293 -4.732 5.274
174 H ALA 27 H ALA 27 35.072 0.897 -1.389
175 HA ALA 27 HA ALA 27 37.115 -0.766 -2.469
176 1HB ALA 27 3HB ALA 27 35.130 1.122 -3.457
177 2HB ALA 27 2HB ALA 27 36.656 1.232 -4.337
178 3HB ALA 27 1HB ALA 27 35.806 -0.311 -4.235
179 H MET 28 H MET 28 36.896 2.741 -1.934
180 HA MET 28 HA MET 28 39.446 3.430 -2.840
181 1HB MET 28 2HB MET 28 37.328 4.685 -1.273
182 2HB MET 28 1HB MET 28 38.923 5.188 -0.752
183 1HG MET 28 2HG MET 28 37.761 6.581 -2.583
184 2HG MET 28 1HG MET 28 39.443 6.151 -2.842
185 1HE MET 28 3HE MET 28 37.797 7.317 -4.866
186 2HE MET 28 2HE MET 28 39.025 6.524 -5.852
187 3HE MET 28 1HE MET 28 37.319 6.293 -6.228
188 H VAL 29 H VAL 29 38.324 2.451 0.363
189 HA VAL 29 HA VAL 29 40.613 2.850 1.861
190 HB VAL 29 HB VAL 29 38.495 0.713 2.001
191 1HG1 VAL 29 3HG1 VAL 29 40.861 1.206 3.743
192 2HG1 VAL 29 2HG1 VAL 29 39.340 0.711 4.491
193 3HG1 VAL 29 1HG1 VAL 29 40.100 -0.316 3.273
194 1HG2 VAL 29 3HG2 VAL 29 38.372 3.424 2.488
195 2HG2 VAL 29 2HG2 VAL 29 37.250 2.210 3.106
196 3HG2 VAL 29 1HG2 VAL 29 38.615 2.736 4.095
197 H VAL 30 H VAL 30 39.907 0.395 -0.519
198 HA VAL 30 HA VAL 30 42.102 -1.319 0.186
199 HB VAL 30 HB VAL 30 40.309 -1.181 -2.234
200 1HG1 VAL 30 3HG1 VAL 30 42.508 -3.056 -1.471
201 2HG1 VAL 30 2HG1 VAL 30 41.143 -3.623 -2.436
202 3HG1 VAL 30 1HG1 VAL 30 42.163 -2.313 -3.032
203 1HG2 VAL 30 2HG2 VAL 30 40.038 -2.324 0.434
204 2HG2 VAL 30 1HG2 VAL 30 38.811 -2.025 -0.799
205 3HG2 VAL 30 3HG2 VAL 30 39.772 -3.505 -0.851
206 H VAL 31 H VAL 31 41.472 1.263 -2.126
207 HA VAL 31 HA VAL 31 43.859 0.934 -3.631
208 HB VAL 31 HB VAL 31 41.969 3.256 -3.305
209 1HG1 VAL 31 3HG1 VAL 31 44.551 3.176 -4.516
210 2HG1 VAL 31 2HG1 VAL 31 43.328 3.393 -5.768
211 3HG1 VAL 31 1HG1 VAL 31 43.413 4.520 -4.412
212 1HG2 VAL 31 3HG2 VAL 31 41.370 0.915 -4.418
213 2HG2 VAL 31 2HG2 VAL 31 40.788 2.441 -5.090
214 3HG2 VAL 31 1HG2 VAL 31 42.195 1.645 -5.797
215 H ILE 32 H ILE 32 43.058 2.479 -0.665
216 HA ILE 32 HA ILE 32 45.381 4.190 -0.568
217 HB ILE 32 HB ILE 32 43.414 3.367 1.568
218 1HG1 ILE 32 2HG1 ILE 32 43.615 5.858 -0.132
219 2HG1 ILE 32 1HG1 ILE 32 42.368 4.617 -0.234
220 1HG2 ILE 32 2HG2 ILE 32 45.550 4.074 2.533
221 2HG2 ILE 32 1HG2 ILE 32 45.483 5.568 1.594
222 3HG2 ILE 32 3HG2 ILE 32 44.281 5.261 2.850
223 1HD1 ILE 32 3HD1 ILE 32 42.902 6.330 2.203
224 2HD1 ILE 32 2HD1 ILE 32 41.618 6.619 1.027
225 3HD1 ILE 32 1HD1 ILE 32 41.599 5.156 2.013
226 H VAL 33 H VAL 33 44.620 0.915 0.237
227 HA VAL 33 HA VAL 33 46.839 0.573 2.058
228 HB VAL 33 HB VAL 33 44.657 -1.144 0.934
229 1HG1 VAL 33 2HG1 VAL 33 47.249 -2.070 2.011
230 2HG1 VAL 33 1HG1 VAL 33 45.800 -2.891 2.597
231 3HG1 VAL 33 3HG1 VAL 33 46.147 -2.840 0.869
232 1HG2 VAL 33 3HG2 VAL 33 45.489 -0.191 3.655
233 2HG2 VAL 33 2HG2 VAL 33 43.950 0.036 2.821
234 3HG2 VAL 33 1HG2 VAL 33 44.385 -1.554 3.455
235 H GLY 34 H GLY 34 46.021 -0.072 -1.305
236 1HA GLY 34 2HA GLY 34 48.258 -1.718 -1.913
237 2HA GLY 34 1HA GLY 34 47.258 -0.856 -3.084
238 H ALA 35 H ALA 35 47.627 1.725 -2.663
239 HA ALA 35 HA ALA 35 50.054 2.403 -3.790
240 1HB ALA 35 3HB ALA 35 48.098 3.935 -2.107
241 2HB ALA 35 2HB ALA 35 49.606 4.692 -2.626
242 3HB ALA 35 1HB ALA 35 48.457 4.101 -3.827
243 H THR 36 H THR 36 49.264 1.763 -0.473
244 HA THR 36 HA THR 36 51.649 2.847 0.696
245 HB THR 36 HB THR 36 49.487 0.973 1.643
246 HG1 THR 36 HG1 THR 36 50.173 3.673 2.107
247 1HG2 THR 36 1HG2 THR 36 51.953 1.884 3.108
248 2HG2 THR 36 3HG2 THR 36 50.489 1.362 3.944
249 3HG2 THR 36 2HG2 THR 36 51.353 0.237 2.892
250 H ILE 37 H ILE 37 50.543 -0.445 -0.107
251 HA ILE 37 HA ILE 37 52.910 -1.767 0.699
252 HB ILE 37 HB ILE 37 50.809 -2.560 -1.310
253 1HG1 ILE 37 2HG1 ILE 37 51.151 -3.320 1.576
254 2HG1 ILE 37 1HG1 ILE 37 49.983 -2.151 0.975
255 1HG2 ILE 37 1HG2 ILE 37 53.169 -4.009 -0.198
256 2HG2 ILE 37 3HG2 ILE 37 51.690 -4.907 -0.546
257 3HG2 ILE 37 2HG2 ILE 37 52.509 -4.023 -1.835
258 1HD1 ILE 37 3HD1 ILE 37 49.436 -4.296 -0.612
259 2HD1 ILE 37 2HD1 ILE 37 49.931 -5.100 0.879
260 3HD1 ILE 37 1HD1 ILE 37 48.596 -3.945 0.900
261 H GLY 38 H GLY 38 52.025 -0.044 -2.181
262 1HA GLY 38 2HA GLY 38 53.943 -1.108 -3.974
263 2HA GLY 38 1HA GLY 38 53.156 0.464 -4.113
264 H ILE 39 H ILE 39 53.944 1.887 -2.086
265 HA ILE 39 HA ILE 39 56.631 2.570 -2.704
266 HB ILE 39 HB ILE 39 54.839 3.470 -0.450
267 1HG1 ILE 39 2HG1 ILE 39 55.325 5.326 -2.641
268 2HG1 ILE 39 1HG1 ILE 39 54.524 3.854 -3.179
269 1HG2 ILE 39 3HG2 ILE 39 57.392 4.604 -1.559
270 2HG2 ILE 39 2HG2 ILE 39 56.317 5.468 -0.459
271 3HG2 ILE 39 1HG2 ILE 39 57.116 3.985 0.068
272 1HD1 ILE 39 2HD1 ILE 39 53.137 4.421 -0.895
273 2HD1 ILE 39 1HD1 ILE 39 53.508 6.038 -1.498
274 3HD1 ILE 39 3HD1 ILE 39 52.632 4.894 -2.518
275 H LYS 40 H LYS 40 55.111 1.094 0.161
276 HA LYS 40 HA LYS 40 57.318 0.905 1.810
277 1HB LYS 40 2HB LYS 40 54.798 0.211 2.106
278 2HB LYS 40 1HB LYS 40 55.400 -1.370 1.628
279 1HG LYS 40 2HG LYS 40 55.971 -1.664 3.771
280 2HG LYS 40 1HG LYS 40 57.238 -0.469 3.509
281 1HD LYS 40 2HD LYS 40 54.467 0.467 4.100
282 2HD LYS 40 1HD LYS 40 55.441 -0.157 5.430
283 1HE LYS 40 2HE LYS 40 55.896 2.272 3.712
284 2HE LYS 40 1HE LYS 40 55.895 2.146 5.470
285 1HZ LYS 40 2HZ LYS 40 57.934 0.667 5.117
286 2HZ LYS 40 1HZ LYS 40 58.003 1.362 3.569
287 3HZ LYS 40 3HZ LYS 40 58.114 2.347 4.945
288 H LEU 41 H LEU 41 56.253 -1.284 -0.758
289 HA LEU 41 HA LEU 41 58.170 -3.304 -0.394
290 1HB LEU 41 2HB LEU 41 56.424 -2.403 -2.632
291 2HB LEU 41 1HB LEU 41 57.723 -3.528 -3.004
292 HG LEU 41 HG LEU 41 55.542 -3.921 -0.950
293 1HD1 LEU 41 1HD1 LEU 41 55.597 -4.396 -3.747
294 2HD1 LEU 41 3HD1 LEU 41 55.620 -5.962 -2.933
295 3HD1 LEU 41 2HD1 LEU 41 54.330 -4.807 -2.588
296 1HD2 LEU 41 1HD2 LEU 41 58.109 -5.272 -1.329
297 2HD2 LEU 41 3HD2 LEU 41 56.989 -5.327 0.033
298 3HD2 LEU 41 2HD2 LEU 41 56.732 -6.373 -1.364
299 H PHE 42 H PHE 42 58.359 -0.193 -1.980
300 HA PHE 42 HA PHE 42 60.747 -0.697 -3.456
301 1HB PHE 42 2HB PHE 42 58.965 1.163 -3.747
302 2HB PHE 42 1HB PHE 42 59.902 2.025 -2.535
303 HD1 PHE 42 HD2 PHE 42 60.036 0.490 -5.897
304 HD2 PHE 42 HD1 PHE 42 61.954 3.070 -3.089
305 HE1 PHE 42 HE2 PHE 42 61.590 1.247 -7.654
306 HE2 PHE 42 HE1 PHE 42 63.507 3.826 -4.845
307 HZ PHE 42 HZ PHE 42 63.327 2.916 -7.127
308 H LYS 43 H LYS 43 60.149 1.132 -0.449
309 HA LYS 43 HA LYS 43 62.771 1.813 0.143
310 1HB LYS 43 2HB LYS 43 60.389 1.287 1.889
311 2HB LYS 43 1HB LYS 43 61.914 1.926 2.509
312 1HG LYS 43 2HG LYS 43 61.026 3.296 0.094
313 2HG LYS 43 1HG LYS 43 59.842 3.388 1.381
314 1HD LYS 43 2HD LYS 43 61.475 4.354 2.910
315 2HD LYS 43 1HD LYS 43 62.758 4.127 1.726
316 1HE LYS 43 2HE LYS 43 60.772 6.278 1.966
317 2HE LYS 43 1HE LYS 43 62.361 6.282 1.203
318 1HZ LYS 43 1HZ LYS 43 59.876 5.164 0.014
319 2HZ LYS 43 3HZ LYS 43 60.595 6.642 -0.404
320 3HZ LYS 43 2HZ LYS 43 61.406 5.184 -0.723
321 H LYS 44 H LYS 44 61.286 -1.291 0.287
322 HA LYS 44 HA LYS 44 63.217 -2.353 2.190
323 1HB LYS 44 2HB LYS 44 60.602 -3.004 1.514
324 2HB LYS 44 1HB LYS 44 61.560 -4.305 0.823
325 1HG LYS 44 2HG LYS 44 61.615 -3.410 3.715
326 2HG LYS 44 1HG LYS 44 60.817 -4.846 3.078
327 1HD LYS 44 2HD LYS 44 62.879 -5.785 3.802
328 2HD LYS 44 1HD LYS 44 63.240 -5.395 2.117
329 1HE LYS 44 2HE LYS 44 64.912 -4.719 4.040
330 2HE LYS 44 1HE LYS 44 64.619 -3.574 2.729
331 1HZ LYS 44 3HZ LYS 44 63.078 -3.542 5.264
332 2HZ LYS 44 2HZ LYS 44 64.530 -2.683 5.067
333 3HZ LYS 44 1HZ LYS 44 63.187 -2.321 4.093
334 H PHE 45 H PHE 45 62.214 -3.123 -1.152
335 HA PHE 45 HA PHE 45 64.338 -4.877 -1.708
336 1HB PHE 45 2HB PHE 45 62.341 -3.351 -3.293
337 2HB PHE 45 1HB PHE 45 63.715 -4.028 -4.136
338 HD1 PHE 45 HD2 PHE 45 64.150 -6.533 -3.995
339 HD2 PHE 45 HD1 PHE 45 60.514 -4.740 -2.591
340 HE1 PHE 45 HE2 PHE 45 63.039 -8.722 -4.037
341 HE2 PHE 45 HE1 PHE 45 59.425 -6.940 -2.641
342 HZ PHE 45 HZ PHE 45 60.681 -8.930 -3.362
343 H THR 46 H THR 46 64.005 -1.389 -2.079
344 HA THR 46 HA THR 46 66.570 -1.146 -3.403
345 HB THR 46 HB THR 46 66.034 1.183 -3.541
346 HG1 THR 46 HG1 THR 46 65.134 1.732 -1.648
347 1HG2 THR 46 1HG2 THR 46 64.491 -0.846 -4.645
348 2HG2 THR 46 3HG2 THR 46 63.313 0.327 -4.049
349 3HG2 THR 46 2HG2 THR 46 64.564 0.833 -5.188
350 H SER 47 H SER 47 65.971 -1.913 -0.370
351 HA SER 47 HA SER 47 68.377 -0.668 0.622
352 1HB SER 47 2HB SER 47 65.803 0.483 1.218
353 2HB SER 47 1HB SER 47 66.567 -0.102 2.690
354 HG SER 47 HG SER 47 67.643 1.704 0.764
355 H LYS 48 H LYS 48 67.646 -3.353 0.141
356 HA LYS 48 HA LYS 48 66.650 -4.820 2.243
357 1HB LYS 48 2HB LYS 48 68.572 -5.333 0.049
358 2HB LYS 48 1HB LYS 48 68.620 -6.463 1.398
359 1HG LYS 48 2HG LYS 48 66.255 -6.976 1.098
360 2HG LYS 48 1HG LYS 48 66.134 -5.762 -0.183
361 1HD LYS 48 2HD LYS 48 67.846 -7.053 -1.465
362 2HD LYS 48 1HD LYS 48 67.779 -8.295 -0.223
363 1HE LYS 48 2HE LYS 48 65.182 -8.218 -0.758
364 2HE LYS 48 1HE LYS 48 65.749 -7.563 -2.293
365 1HZ LYS 48 3HZ LYS 48 66.734 -10.096 -1.108
366 2HZ LYS 48 2HZ LYS 48 65.481 -10.009 -2.252
367 3HZ LYS 48 1HZ LYS 48 67.050 -9.500 -2.663
368 H ALA 49 H ALA 49 70.051 -3.954 1.680
369 HA ALA 49 HA ALA 49 71.857 -3.845 3.088
370 1HB ALA 49 3HB ALA 49 69.578 -2.685 4.556
371 2HB ALA 49 2HB ALA 49 70.952 -3.163 5.555
372 3HB ALA 49 1HB ALA 49 71.178 -2.015 4.234
373 H SER 50 H SER 50 72.332 -6.064 3.014
374 HA SER 50 HA SER 50 72.522 -7.374 5.484
375 1HB SER 50 2HB SER 50 69.969 -7.587 4.622
376 2HB SER 50 1HB SER 50 70.678 -8.997 3.843
377 HG SER 50 HG SER 50 70.346 -9.844 5.778
No H/Q in entry = 377
Start of MODEL 8
1 1H ALA 1 2H ALA 1 54.821 6.166 18.113
2 2H ALA 1 1H ALA 1 53.442 7.122 18.378
3 3H ALA 1 3H ALA 1 54.473 6.749 19.671
4 HA ALA 1 HA ALA 1 53.881 4.473 19.629
5 1HB ALA 1 1HB ALA 1 52.294 6.019 20.786
6 2HB ALA 1 3HB ALA 1 51.363 6.134 19.292
7 3HB ALA 1 2HB ALA 1 51.487 4.588 20.134
8 H GLU 2 H GLU 2 54.538 3.420 17.753
9 HA GLU 2 HA GLU 2 54.204 2.152 15.873
10 1HB GLU 2 2HB GLU 2 51.693 2.301 17.106
11 2HB GLU 2 1HB GLU 2 51.402 2.675 15.408
12 1HG GLU 2 2HG GLU 2 51.371 0.436 15.125
13 2HG GLU 2 1HG GLU 2 53.128 0.552 15.230
14 H GLY 3 H GLY 3 55.321 3.315 14.394
15 1HA GLY 3 2HA GLY 3 55.715 4.623 12.556
16 2HA GLY 3 1HA GLY 3 53.979 4.541 12.257
17 H ASP 4 H ASP 4 55.977 6.777 12.059
18 HA ASP 4 HA ASP 4 55.615 8.680 14.084
19 1HB ASP 4 2HB ASP 4 57.100 8.601 11.852
20 2HB ASP 4 1HB ASP 4 55.796 9.644 11.285
21 H ASP 5 H ASP 5 53.499 7.600 11.567
22 HA ASP 5 HA ASP 5 51.796 9.647 11.024
23 1HB ASP 5 2HB ASP 5 51.699 7.083 10.454
24 2HB ASP 5 1HB ASP 5 50.583 7.035 11.818
25 HA PRO 6 HA PRO 6 50.453 10.487 15.276
26 1HB PRO 6 2HB PRO 6 50.305 13.174 14.997
27 2HB PRO 6 1HB PRO 6 51.814 12.313 15.335
28 1HG PRO 6 2HG PRO 6 50.945 13.641 12.876
29 2HG PRO 6 1HG PRO 6 52.572 13.172 13.390
30 1HD PRO 6 2HD PRO 6 50.836 11.821 11.541
31 2HD PRO 6 1HD PRO 6 52.484 11.382 12.026
32 H ALA 7 H ALA 7 49.060 11.327 12.212
33 HA ALA 7 HA ALA 7 46.671 12.552 13.029
34 1HB ALA 7 2HB ALA 7 47.498 11.010 10.597
35 2HB ALA 7 1HB ALA 7 45.818 11.511 10.802
36 3HB ALA 7 3HB ALA 7 47.101 12.723 10.752
37 H LYS 8 H LYS 8 47.712 9.296 13.350
38 HA LYS 8 HA LYS 8 45.547 7.690 13.156
39 1HB LYS 8 2HB LYS 8 46.515 6.311 14.833
40 2HB LYS 8 1HB LYS 8 47.837 7.074 13.967
41 1HG LYS 8 2HG LYS 8 48.214 8.635 15.733
42 2HG LYS 8 1HG LYS 8 46.727 8.176 16.559
43 1HD LYS 8 2HD LYS 8 49.331 6.672 16.343
44 2HD LYS 8 1HD LYS 8 48.418 7.090 17.785
45 1HE LYS 8 2HE LYS 8 47.780 4.936 15.752
46 2HE LYS 8 1HE LYS 8 48.184 4.731 17.454
47 1HZ LYS 8 2HZ LYS 8 45.801 6.270 16.626
48 2HZ LYS 8 1HZ LYS 8 45.751 4.580 16.780
49 3HZ LYS 8 3HZ LYS 8 46.131 5.541 18.124
50 H ALA 9 H ALA 9 46.076 10.150 15.594
51 HA ALA 9 HA ALA 9 43.874 9.376 17.267
52 1HB ALA 9 1HB ALA 9 45.534 11.890 17.083
53 2HB ALA 9 3HB ALA 9 44.237 11.671 18.260
54 3HB ALA 9 2HB ALA 9 45.645 10.608 18.291
55 H ALA 10 H ALA 10 44.374 12.306 15.295
56 HA ALA 10 HA ALA 10 41.725 13.186 15.319
57 1HB ALA 10 3HB ALA 10 43.968 13.610 13.353
58 2HB ALA 10 2HB ALA 10 42.398 14.399 13.185
59 3HB ALA 10 1HB ALA 10 43.394 14.710 14.608
60 H PHE 11 H PHE 11 43.305 10.775 13.349
61 HA PHE 11 HA PHE 11 41.386 10.586 11.278
62 1HB PHE 11 2HB PHE 11 43.795 9.345 11.879
63 2HB PHE 11 1HB PHE 11 42.620 8.045 11.980
64 HD1 PHE 11 HD2 PHE 11 40.924 7.866 10.002
65 HD2 PHE 11 HD1 PHE 11 44.662 9.946 9.761
66 HE1 PHE 11 HE2 PHE 11 40.879 7.686 7.549
67 HE2 PHE 11 HE1 PHE 11 44.599 9.759 7.312
68 HZ PHE 11 HZ PHE 11 42.712 8.631 6.205
69 H ASN 12 H ASN 12 41.715 8.901 14.376
70 HA ASN 12 HA ASN 12 39.395 7.260 13.994
71 1HB ASN 12 2HB ASN 12 41.461 6.905 15.545
72 2HB ASN 12 1HB ASN 12 40.544 7.889 16.687
73 1HD2 ASN 12 2HD2 ASN 12 38.596 5.222 17.703
74 2HD2 ASN 12 1HD2 ASN 12 39.340 6.746 18.032
75 H SER 13 H SER 13 40.062 10.275 15.729
76 HA SER 13 HA SER 13 37.444 10.471 16.876
77 1HB SER 13 2HB SER 13 38.779 13.014 16.626
78 2HB SER 13 1HB SER 13 38.396 12.089 18.078
79 HG SER 13 HG SER 13 40.718 12.001 16.476
80 H LEU 14 H LEU 14 38.988 11.724 13.961
81 HA LEU 14 HA LEU 14 36.891 13.517 13.264
82 1HB LEU 14 2HB LEU 14 39.146 13.759 12.360
83 2HB LEU 14 1HB LEU 14 38.993 12.205 11.547
84 HG LEU 14 HG LEU 14 36.900 13.249 10.415
85 1HD1 LEU 14 3HD1 LEU 14 36.773 15.253 11.860
86 2HD1 LEU 14 2HD1 LEU 14 38.323 15.802 11.217
87 3HD1 LEU 14 1HD1 LEU 14 36.921 15.676 10.155
88 1HD2 LEU 14 2HD2 LEU 14 39.734 14.036 9.729
89 2HD2 LEU 14 1HD2 LEU 14 38.729 12.782 8.991
90 3HD2 LEU 14 3HD2 LEU 14 38.366 14.486 8.714
91 H GLN 15 H GLN 15 37.626 10.167 12.400
92 HA GLN 15 HA GLN 15 35.739 9.738 10.414
93 1HB GLN 15 2HB GLN 15 37.447 8.101 11.051
94 2HB GLN 15 1HB GLN 15 36.616 7.822 12.578
95 1HG GLN 15 2HG GLN 15 34.564 7.272 11.051
96 2HG GLN 15 1HG GLN 15 35.790 7.038 9.805
97 1HE2 GLN 15 2HD2 GLN 15 36.063 3.742 10.899
98 2HE2 GLN 15 1HD2 GLN 15 35.649 4.841 9.631
99 H ALA 16 H ALA 16 35.339 9.806 13.909
100 HA ALA 16 HA ALA 16 32.651 8.840 13.915
101 1HB ALA 16 1HB ALA 16 34.246 8.790 15.868
102 2HB ALA 16 3HB ALA 16 33.969 10.524 16.039
103 3HB ALA 16 2HB ALA 16 32.628 9.394 16.234
104 H SER 17 H SER 17 34.013 11.823 13.057
105 HA SER 17 HA SER 17 31.478 13.250 13.528
106 1HB SER 17 2HB SER 17 32.710 15.287 13.351
107 2HB SER 17 1HB SER 17 33.613 14.225 14.426
108 HG SER 17 HG SER 17 35.048 15.099 12.931
109 H ALA 18 H ALA 18 33.739 12.214 11.074
110 HA ALA 18 HA ALA 18 32.143 13.485 8.963
111 1HB ALA 18 1HB ALA 18 34.914 12.349 9.093
112 2HB ALA 18 3HB ALA 18 34.096 12.539 7.541
113 3HB ALA 18 2HB ALA 18 34.391 13.949 8.562
114 H THR 19 H THR 19 30.519 11.800 9.729
115 HA THR 19 HA THR 19 30.922 9.074 9.037
116 HB THR 19 HB THR 19 29.235 10.017 10.688
117 HG1 THR 19 HG1 THR 19 28.543 8.054 10.577
118 1HG2 THR 19 2HG2 THR 19 27.735 10.505 8.110
119 2HG2 THR 19 1HG2 THR 19 26.925 10.299 9.661
120 3HG2 THR 19 3HG2 THR 19 28.037 11.646 9.422
121 H GLU 20 H GLU 20 30.626 11.701 7.026
122 HA GLU 20 HA GLU 20 29.003 10.478 4.984
123 1HB GLU 20 2HB GLU 20 30.022 13.065 5.566
124 2HB GLU 20 1HB GLU 20 30.644 12.609 3.988
125 1HG GLU 20 2HG GLU 20 28.311 12.118 3.246
126 2HG GLU 20 1HG GLU 20 27.727 12.698 4.811
127 H TYR 21 H TYR 21 32.012 9.811 6.075
128 HA TYR 21 HA TYR 21 33.175 9.270 3.434
129 1HB TYR 21 2HB TYR 21 34.257 9.576 6.193
130 2HB TYR 21 1HB TYR 21 35.146 8.590 5.042
131 HD1 TYR 21 HD2 TYR 21 33.466 11.913 5.299
132 HD2 TYR 21 HD1 TYR 21 36.741 9.689 3.673
133 HE1 TYR 21 HE2 TYR 21 34.411 13.980 4.350
134 HE2 TYR 21 HE1 TYR 21 37.671 11.761 2.734
135 HH TYR 21 HH TYR 21 36.220 14.317 2.101
136 H ILE 22 H ILE 22 31.227 7.694 5.586
137 HA ILE 22 HA ILE 22 32.538 5.089 5.390
138 HB ILE 22 HB ILE 22 29.888 5.877 6.582
139 1HG1 ILE 22 2HG1 ILE 22 32.631 5.621 7.898
140 2HG1 ILE 22 1HG1 ILE 22 31.512 6.988 7.947
141 1HG2 ILE 22 3HG2 ILE 22 29.948 3.524 5.971
142 2HG2 ILE 22 2HG2 ILE 22 31.448 3.294 6.871
143 3HG2 ILE 22 1HG2 ILE 22 29.957 3.693 7.729
144 1HD1 ILE 22 3HD1 ILE 22 31.047 4.286 9.233
145 2HD1 ILE 22 2HD1 ILE 22 31.525 5.764 10.071
146 3HD1 ILE 22 1HD1 ILE 22 29.942 5.662 9.296
147 H GLY 23 H GLY 23 32.425 5.066 3.114
148 1HA GLY 23 2HA GLY 23 30.660 3.361 1.955
149 2HA GLY 23 1HA GLY 23 29.895 4.936 1.734
150 H TYR 24 H TYR 24 32.100 6.542 1.345
151 HA TYR 24 HA TYR 24 32.927 5.727 -1.341
152 1HB TYR 24 2HB TYR 24 33.515 8.357 -0.020
153 2HB TYR 24 1HB TYR 24 33.403 7.993 -1.734
154 HD1 TYR 24 HD1 TYR 24 31.107 7.215 -2.621
155 HD2 TYR 24 HD2 TYR 24 31.620 9.240 1.120
156 HE1 TYR 24 HE1 TYR 24 28.730 7.863 -2.632
157 HE2 TYR 24 HE2 TYR 24 29.246 9.878 1.088
158 HH TYR 24 HH TYR 24 27.447 10.224 -0.743
159 H ALA 25 H ALA 25 34.234 6.393 1.836
160 HA ALA 25 HA ALA 25 36.981 6.505 1.130
161 1HB ALA 25 2HB ALA 25 36.122 7.331 3.278
162 2HB ALA 25 1HB ALA 25 35.693 5.683 3.740
163 3HB ALA 25 3HB ALA 25 37.387 6.124 3.520
164 H TRP 26 H TRP 26 34.738 3.903 1.611
165 HA TRP 26 HA TRP 26 36.554 1.795 2.117
166 1HB TRP 26 2HB TRP 26 33.744 2.084 1.604
167 2HB TRP 26 1HB TRP 26 34.386 0.787 0.609
168 HD1 TRP 26 1HD TRP 26 33.571 1.665 4.225
169 HE1 TRP 26 1HE TRP 26 33.922 -0.416 5.662
170 HE3 TRP 26 3HE TRP 26 35.861 -1.399 0.820
171 HZ2 TRP 26 2HZ TRP 26 35.002 -2.995 5.437
172 HZ3 TRP 26 3HZ TRP 26 36.529 -3.668 1.503
173 HH2 TRP 26 HH2 TRP 26 36.105 -4.462 3.791
174 H ALA 27 H ALA 27 35.142 3.046 -0.883
175 HA ALA 27 HA ALA 27 36.336 1.232 -2.668
176 1HB ALA 27 2HB ALA 27 34.719 3.560 -2.829
177 2HB ALA 27 1HB ALA 27 36.109 3.809 -3.888
178 3HB ALA 27 3HB ALA 27 35.078 2.394 -4.106
179 H MET 28 H MET 28 37.560 4.069 -1.065
180 HA MET 28 HA MET 28 39.939 4.234 -2.719
181 1HB MET 28 2HB MET 28 38.664 5.848 -0.621
182 2HB MET 28 1HB MET 28 40.411 5.801 -0.513
183 1HG MET 28 2HG MET 28 38.748 6.717 -2.866
184 2HG MET 28 1HG MET 28 39.776 7.702 -1.839
185 1HE MET 28 3HE MET 28 42.165 7.335 -1.485
186 2HE MET 28 2HE MET 28 43.307 6.899 -2.753
187 3HE MET 28 1HE MET 28 42.365 8.382 -2.897
188 H VAL 29 H VAL 29 39.081 3.260 0.571
189 HA VAL 29 HA VAL 29 41.585 2.723 1.610
190 HB VAL 29 HB VAL 29 38.944 1.334 2.030
191 1HG1 VAL 29 2HG1 VAL 29 41.593 0.710 3.086
192 2HG1 VAL 29 1HG1 VAL 29 40.375 0.967 4.337
193 3HG1 VAL 29 3HG1 VAL 29 40.114 -0.253 3.089
194 1HG2 VAL 29 1HG2 VAL 29 39.638 3.881 2.647
195 2HG2 VAL 29 3HG2 VAL 29 38.458 2.928 3.550
196 3HG2 VAL 29 2HG2 VAL 29 40.126 3.037 4.119
197 H VAL 30 H VAL 30 39.511 0.654 -0.390
198 HA VAL 30 HA VAL 30 41.063 -1.670 -0.309
199 HB VAL 30 HB VAL 30 39.314 -0.651 -2.540
200 1HG1 VAL 30 3HG1 VAL 30 40.530 -3.286 -1.873
201 2HG1 VAL 30 2HG1 VAL 30 38.962 -3.235 -2.681
202 3HG1 VAL 30 1HG1 VAL 30 40.369 -2.484 -3.434
203 1HG2 VAL 30 2HG2 VAL 30 38.652 -1.312 0.144
204 2HG2 VAL 30 1HG2 VAL 30 37.566 -0.908 -1.187
205 3HG2 VAL 30 3HG2 VAL 30 38.024 -2.587 -0.903
206 H VAL 31 H VAL 31 41.169 1.122 -2.494
207 HA VAL 31 HA VAL 31 43.134 0.018 -4.227
208 HB VAL 31 HB VAL 31 42.253 2.862 -3.785
209 1HG1 VAL 31 2HG1 VAL 31 44.251 1.650 -5.538
210 2HG1 VAL 31 1HG1 VAL 31 43.080 2.670 -6.377
211 3HG1 VAL 31 3HG1 VAL 31 44.036 3.332 -5.049
212 1HG2 VAL 31 1HG2 VAL 31 40.774 0.749 -4.749
213 2HG2 VAL 31 3HG2 VAL 31 40.469 2.454 -5.090
214 3HG2 VAL 31 2HG2 VAL 31 41.413 1.482 -6.222
215 H ILE 32 H ILE 32 43.341 1.313 -1.107
216 HA ILE 32 HA ILE 32 46.115 2.206 -1.471
217 HB ILE 32 HB ILE 32 44.235 2.451 0.872
218 1HG1 ILE 32 2HG1 ILE 32 45.269 4.446 -1.146
219 2HG1 ILE 32 1HG1 ILE 32 43.609 3.891 -0.962
220 1HG2 ILE 32 3HG2 ILE 32 47.068 3.436 0.525
221 2HG2 ILE 32 2HG2 ILE 32 45.974 3.978 1.801
222 3HG2 ILE 32 1HG2 ILE 32 46.477 2.287 1.728
223 1HD1 ILE 32 3HD1 ILE 32 43.550 4.888 1.306
224 2HD1 ILE 32 2HD1 ILE 32 45.190 5.493 1.061
225 3HD1 ILE 32 1HD1 ILE 32 43.868 6.092 0.056
226 H VAL 33 H VAL 33 44.206 -0.194 0.311
227 HA VAL 33 HA VAL 33 46.015 -1.252 2.040
228 HB VAL 33 HB VAL 33 44.186 -2.892 0.301
229 1HG1 VAL 33 3HG1 VAL 33 45.722 -4.155 1.701
230 2HG1 VAL 33 2HG1 VAL 33 45.182 -3.250 3.116
231 3HG1 VAL 33 1HG1 VAL 33 44.063 -4.324 2.275
232 1HG2 VAL 33 3HG2 VAL 33 43.566 -0.821 2.257
233 2HG2 VAL 33 2HG2 VAL 33 42.510 -1.639 1.101
234 3HG2 VAL 33 1HG2 VAL 33 42.850 -2.381 2.665
235 H GLY 34 H GLY 34 45.807 -1.863 -1.444
236 1HA GLY 34 2HA GLY 34 48.081 -3.697 -1.344
237 2HA GLY 34 1HA GLY 34 47.124 -3.290 -2.771
238 H ALA 35 H ALA 35 47.276 -0.674 -3.090
239 HA ALA 35 HA ALA 35 49.746 -0.134 -4.204
240 1HB ALA 35 3HB ALA 35 47.397 1.199 -4.112
241 2HB ALA 35 2HB ALA 35 48.363 2.201 -3.027
242 3HB ALA 35 1HB ALA 35 48.902 1.921 -4.684
243 H THR 36 H THR 36 48.704 0.139 -0.903
244 HA THR 36 HA THR 36 50.798 1.763 0.101
245 HB THR 36 HB THR 36 48.944 -0.257 1.359
246 HG1 THR 36 HG1 THR 36 48.311 1.942 0.573
247 1HG2 THR 36 2HG2 THR 36 51.039 -0.213 2.661
248 2HG2 THR 36 1HG2 THR 36 50.899 1.542 2.804
249 3HG2 THR 36 3HG2 THR 36 49.690 0.497 3.551
250 H ILE 37 H ILE 37 50.340 -1.755 -0.029
251 HA ILE 37 HA ILE 37 52.776 -2.513 1.138
252 HB ILE 37 HB ILE 37 50.994 -3.888 -0.860
253 1HG1 ILE 37 2HG1 ILE 37 51.305 -4.158 2.115
254 2HG1 ILE 37 1HG1 ILE 37 49.943 -3.430 1.271
255 1HG2 ILE 37 3HG2 ILE 37 53.306 -4.789 -0.943
256 2HG2 ILE 37 2HG2 ILE 37 53.186 -5.148 0.780
257 3HG2 ILE 37 1HG2 ILE 37 52.115 -5.956 -0.367
258 1HD1 ILE 37 2HD1 ILE 37 49.521 -5.632 0.172
259 2HD1 ILE 37 1HD1 ILE 37 50.800 -6.330 1.166
260 3HD1 ILE 37 3HD1 ILE 37 49.345 -5.684 1.928
261 H GLY 38 H GLY 38 51.931 -1.680 -2.175
262 1HA GLY 38 2HA GLY 38 54.286 -2.545 -3.460
263 2HA GLY 38 1HA GLY 38 53.212 -1.270 -4.036
264 H ILE 39 H ILE 39 53.412 0.824 -2.840
265 HA ILE 39 HA ILE 39 55.881 1.974 -3.221
266 HB ILE 39 HB ILE 39 53.768 2.792 -1.230
267 1HG1 ILE 39 2HG1 ILE 39 53.907 4.285 -3.716
268 2HG1 ILE 39 1HG1 ILE 39 53.569 2.582 -4.001
269 1HG2 ILE 39 1HG2 ILE 39 56.109 4.231 -2.430
270 2HG2 ILE 39 3HG2 ILE 39 54.732 5.085 -1.731
271 3HG2 ILE 39 2HG2 ILE 39 55.709 4.013 -0.725
272 1HD1 ILE 39 1HD1 ILE 39 51.951 3.254 -1.833
273 2HD1 ILE 39 3HD1 ILE 39 51.843 4.645 -2.914
274 3HD1 ILE 39 2HD1 ILE 39 51.430 3.034 -3.505
275 H LYS 40 H LYS 40 54.657 0.364 -0.327
276 HA LYS 40 HA LYS 40 56.644 1.170 1.480
277 1HB LYS 40 2HB LYS 40 54.403 -0.214 1.751
278 2HB LYS 40 1HB LYS 40 55.504 -1.578 1.608
279 1HG LYS 40 2HG LYS 40 55.711 -1.311 3.836
280 2HG LYS 40 1HG LYS 40 56.836 -0.032 3.390
281 1HD LYS 40 2HD LYS 40 53.923 0.602 3.582
282 2HD LYS 40 1HD LYS 40 54.845 0.423 5.072
283 1HE LYS 40 2HE LYS 40 55.172 2.459 2.875
284 2HE LYS 40 1HE LYS 40 54.978 2.726 4.606
285 1HZ LYS 40 3HZ LYS 40 57.212 1.483 4.760
286 2HZ LYS 40 2HZ LYS 40 57.376 1.899 3.121
287 3HZ LYS 40 1HZ LYS 40 57.199 3.113 4.296
288 H LEU 41 H LEU 41 56.391 -1.801 -0.452
289 HA LEU 41 HA LEU 41 58.798 -3.002 0.192
290 1HB LEU 41 2HB LEU 41 57.003 -3.038 -2.184
291 2HB LEU 41 1HB LEU 41 58.587 -3.785 -2.342
292 HG LEU 41 HG LEU 41 56.478 -4.448 -0.282
293 1HD1 LEU 41 2HD1 LEU 41 57.429 -5.809 -2.780
294 2HD1 LEU 41 1HD1 LEU 41 56.660 -6.717 -1.477
295 3HD1 LEU 41 3HD1 LEU 41 55.780 -5.419 -2.287
296 1HD2 LEU 41 2HD2 LEU 41 59.352 -5.086 -0.408
297 2HD2 LEU 41 1HD2 LEU 41 58.245 -5.095 0.966
298 3HD2 LEU 41 3HD2 LEU 41 58.293 -6.470 -0.136
299 H PHE 42 H PHE 42 58.185 -0.260 -1.860
300 HA PHE 42 HA PHE 42 60.664 -0.273 -3.272
301 1HB PHE 42 2HB PHE 42 58.452 0.948 -3.821
302 2HB PHE 42 1HB PHE 42 59.047 2.192 -2.731
303 HD1 PHE 42 HD2 PHE 42 59.745 0.358 -5.863
304 HD2 PHE 42 HD1 PHE 42 60.759 3.693 -3.398
305 HE1 PHE 42 HE2 PHE 42 61.104 1.297 -7.693
306 HE2 PHE 42 HE1 PHE 42 62.119 4.631 -5.228
307 HZ PHE 42 HZ PHE 42 62.290 3.434 -7.375
308 H LYS 43 H LYS 43 59.485 1.620 -0.503
309 HA LYS 43 HA LYS 43 61.740 3.165 -0.036
310 1HB LYS 43 2HB LYS 43 59.629 2.098 1.809
311 2HB LYS 43 1HB LYS 43 60.852 3.268 2.312
312 1HG LYS 43 2HG LYS 43 59.617 3.991 -0.221
313 2HG LYS 43 1HG LYS 43 58.428 3.817 1.055
314 1HD LYS 43 2HD LYS 43 59.634 5.415 2.467
315 2HD LYS 43 1HD LYS 43 60.911 5.540 1.261
316 1HE LYS 43 2HE LYS 43 58.307 6.879 1.396
317 2HE LYS 43 1HE LYS 43 59.781 7.350 0.552
318 1HZ LYS 43 3HZ LYS 43 59.200 5.672 -1.163
319 2HZ LYS 43 2HZ LYS 43 57.711 5.436 -0.382
320 3HZ LYS 43 1HZ LYS 43 58.092 6.951 -1.051
321 H LYS 44 H LYS 44 61.314 -0.224 0.518
322 HA LYS 44 HA LYS 44 63.342 -0.437 2.549
323 1HB LYS 44 2HB LYS 44 61.500 -2.245 1.061
324 2HB LYS 44 1HB LYS 44 62.922 -2.943 1.785
325 1HG LYS 44 2HG LYS 44 61.436 -3.225 3.503
326 2HG LYS 44 1HG LYS 44 62.049 -1.636 3.939
327 1HD LYS 44 2HD LYS 44 60.100 -0.569 3.309
328 2HD LYS 44 1HD LYS 44 59.776 -1.726 2.018
329 1HE LYS 44 2HE LYS 44 59.069 -1.880 4.947
330 2HE LYS 44 1HE LYS 44 58.060 -2.209 3.544
331 1HZ LYS 44 2HZ LYS 44 59.670 -4.160 3.178
332 2HZ LYS 44 1HZ LYS 44 60.088 -3.928 4.809
333 3HZ LYS 44 3HZ LYS 44 58.486 -4.289 4.389
334 H PHE 45 H PHE 45 63.024 -1.119 -0.914
335 HA PHE 45 HA PHE 45 65.719 -2.149 -1.105
336 1HB PHE 45 2HB PHE 45 63.396 -1.778 -2.927
337 2HB PHE 45 1HB PHE 45 64.990 -1.881 -3.642
338 HD1 PHE 45 HD1 PHE 45 66.415 -3.933 -3.216
339 HD2 PHE 45 HD2 PHE 45 62.280 -3.735 -2.082
340 HE1 PHE 45 HE1 PHE 45 66.337 -6.380 -3.019
341 HE2 PHE 45 HE2 PHE 45 62.228 -6.182 -1.893
342 HZ PHE 45 HZ PHE 45 64.250 -7.505 -2.358
343 H THR 46 H THR 46 63.992 0.805 -2.064
344 HA THR 46 HA THR 46 66.366 1.956 -3.237
345 HB THR 46 HB THR 46 64.938 3.836 -3.716
346 HG1 THR 46 HG1 THR 46 62.868 3.962 -2.888
347 1HG2 THR 46 3HG2 THR 46 64.521 1.228 -4.625
348 2HG2 THR 46 2HG2 THR 46 62.906 1.879 -4.332
349 3HG2 THR 46 1HG2 THR 46 64.015 2.722 -5.417
350 H SER 47 H SER 47 64.358 2.433 -0.380
351 HA SER 47 HA SER 47 66.407 4.236 0.740
352 1HB SER 47 2HB SER 47 63.506 4.187 0.834
353 2HB SER 47 1HB SER 47 64.202 4.228 2.449
354 HG SER 47 HG SER 47 64.846 6.220 2.085
355 H LYS 48 H LYS 48 67.248 1.737 0.700
356 HA LYS 48 HA LYS 48 66.528 -0.094 2.602
357 1HB LYS 48 2HB LYS 48 69.380 0.540 1.911
358 2HB LYS 48 1HB LYS 48 68.694 -1.020 2.357
359 1HG LYS 48 2HG LYS 48 67.235 -0.683 0.224
360 2HG LYS 48 1HG LYS 48 68.490 0.466 -0.230
361 1HD LYS 48 2HD LYS 48 69.859 -1.194 -0.837
362 2HD LYS 48 1HD LYS 48 69.703 -1.946 0.748
363 1HE LYS 48 2HE LYS 48 67.699 -2.290 -1.490
364 2HE LYS 48 1HE LYS 48 69.014 -3.414 -1.163
365 1HZ LYS 48 1HZ LYS 48 67.388 -2.755 1.130
366 2HZ LYS 48 3HZ LYS 48 66.567 -3.590 -0.096
367 3HZ LYS 48 2HZ LYS 48 67.965 -4.261 0.597
368 H ALA 49 H ALA 49 68.803 2.606 2.969
369 HA ALA 49 HA ALA 49 69.651 2.227 5.537
370 1HB ALA 49 2HB ALA 49 69.150 4.679 3.900
371 2HB ALA 49 1HB ALA 49 69.648 4.836 5.587
372 3HB ALA 49 3HB ALA 49 70.684 3.988 4.436
373 H SER 50 H SER 50 66.626 3.650 4.419
374 HA SER 50 HA SER 50 64.724 4.326 5.518
375 1HB SER 50 2HB SER 50 63.981 2.778 7.313
376 2HB SER 50 1HB SER 50 64.493 1.947 5.848
377 HG SER 50 HG SER 50 65.936 0.965 7.040
No H/Q in entry = 377
Start of MODEL 9
1 1H ALA 1 1H ALA 1 35.442 1.355 35.802
2 2H ALA 1 3H ALA 1 33.795 1.114 35.481
3 3H ALA 1 2H ALA 1 34.955 0.101 34.764
4 HA ALA 1 HA ALA 1 34.622 1.441 33.010
5 1HB ALA 1 3HB ALA 1 32.843 2.754 34.151
6 2HB ALA 1 2HB ALA 1 34.089 3.727 34.937
7 3HB ALA 1 1HB ALA 1 33.900 3.789 33.184
8 H GLU 2 H GLU 2 36.897 0.858 32.974
9 HA GLU 2 HA GLU 2 39.011 2.227 34.081
10 1HB GLU 2 2HB GLU 2 38.613 0.380 31.921
11 2HB GLU 2 1HB GLU 2 39.789 1.602 31.448
12 1HG GLU 2 2HG GLU 2 41.151 1.124 33.385
13 2HG GLU 2 1HG GLU 2 39.924 0.030 34.028
14 H GLY 3 H GLY 3 39.630 4.275 33.986
15 1HA GLY 3 2HA GLY 3 39.776 6.480 33.339
16 2HA GLY 3 1HA GLY 3 40.138 5.801 31.752
17 H ASP 4 H ASP 4 39.042 7.743 30.948
18 HA ASP 4 HA ASP 4 36.100 7.593 31.118
19 1HB ASP 4 2HB ASP 4 37.837 9.760 31.420
20 2HB ASP 4 1HB ASP 4 37.119 9.967 29.822
21 H ASP 5 H ASP 5 38.325 8.911 28.707
22 HA ASP 5 HA ASP 5 38.481 8.632 26.438
23 1HB ASP 5 2HB ASP 5 38.696 6.191 27.306
24 2HB ASP 5 1HB ASP 5 37.054 6.005 26.687
25 HA PRO 6 HA PRO 6 34.322 9.961 25.410
26 1HB PRO 6 2HB PRO 6 34.976 11.395 23.208
27 2HB PRO 6 1HB PRO 6 35.193 11.987 24.863
28 1HG PRO 6 2HG PRO 6 37.205 11.073 22.923
29 2HG PRO 6 1HG PRO 6 37.379 12.159 24.309
30 1HD PRO 6 2HD PRO 6 38.116 9.425 24.178
31 2HD PRO 6 1HD PRO 6 38.137 10.479 25.603
32 H ALA 7 H ALA 7 36.557 8.645 22.985
33 HA ALA 7 HA ALA 7 36.183 7.478 21.025
34 1HB ALA 7 3HB ALA 7 35.728 5.918 23.075
35 2HB ALA 7 2HB ALA 7 34.054 5.996 22.520
36 3HB ALA 7 1HB ALA 7 35.310 5.374 21.448
37 H LYS 8 H LYS 8 34.528 9.875 21.325
38 HA LYS 8 HA LYS 8 32.575 10.866 20.637
39 1HB LYS 8 2HB LYS 8 32.783 9.397 18.141
40 2HB LYS 8 1HB LYS 8 32.706 11.111 18.453
41 1HG LYS 8 2HG LYS 8 35.144 10.895 19.277
42 2HG LYS 8 1HG LYS 8 35.109 9.301 18.529
43 1HD LYS 8 2HD LYS 8 36.051 11.174 17.092
44 2HD LYS 8 1HD LYS 8 34.800 10.181 16.357
45 1HE LYS 8 2HE LYS 8 34.589 12.682 15.982
46 2HE LYS 8 1HE LYS 8 33.151 11.890 16.625
47 1HZ LYS 8 3HZ LYS 8 33.855 12.610 18.856
48 2HZ LYS 8 2HZ LYS 8 35.166 13.441 18.166
49 3HZ LYS 8 1HZ LYS 8 33.575 13.917 17.814
50 H ALA 9 H ALA 9 31.272 9.545 22.065
51 HA ALA 9 HA ALA 9 29.903 7.211 21.267
52 1HB ALA 9 1HB ALA 9 29.274 9.318 23.332
53 2HB ALA 9 3HB ALA 9 28.285 7.875 23.099
54 3HB ALA 9 2HB ALA 9 29.973 7.719 23.591
55 H ALA 10 H ALA 10 28.357 10.361 21.822
56 HA ALA 10 HA ALA 10 26.075 9.872 20.302
57 1HB ALA 10 1HB ALA 10 26.844 11.873 21.918
58 2HB ALA 10 3HB ALA 10 27.096 12.655 20.357
59 3HB ALA 10 2HB ALA 10 25.502 12.024 20.781
60 H PHE 11 H PHE 11 29.260 10.887 19.326
61 HA PHE 11 HA PHE 11 28.512 11.785 16.704
62 1HB PHE 11 2HB PHE 11 30.710 12.100 18.262
63 2HB PHE 11 1HB PHE 11 31.273 10.864 17.145
64 HD1 PHE 11 HD1 PHE 11 30.026 11.512 14.644
65 HD2 PHE 11 HD2 PHE 11 31.660 14.160 17.583
66 HE1 PHE 11 HE1 PHE 11 30.424 13.209 12.905
67 HE2 PHE 11 HE2 PHE 11 32.050 15.846 15.838
68 HZ PHE 11 HZ PHE 11 31.435 15.375 13.501
69 H ASN 12 H ASN 12 30.095 8.851 17.965
70 HA ASN 12 HA ASN 12 30.278 7.515 15.477
71 1HB ASN 12 2HB ASN 12 31.508 6.956 17.628
72 2HB ASN 12 1HB ASN 12 30.022 6.174 18.166
73 1HD2 ASN 12 2HD2 ASN 12 32.541 4.218 15.788
74 2HD2 ASN 12 1HD2 ASN 12 32.909 5.669 16.649
75 H SER 13 H SER 13 27.696 7.930 17.754
76 HA SER 13 HA SER 13 26.060 5.749 16.912
77 1HB SER 13 2HB SER 13 25.936 7.494 18.992
78 2HB SER 13 1HB SER 13 24.708 8.169 17.918
79 HG SER 13 HG SER 13 24.171 6.345 19.512
80 H LEU 14 H LEU 14 26.606 8.985 15.776
81 HA LEU 14 HA LEU 14 24.287 9.165 14.118
82 1HB LEU 14 2HB LEU 14 25.390 11.169 14.906
83 2HB LEU 14 1HB LEU 14 26.894 10.680 14.131
84 HG LEU 14 HG LEU 14 25.755 10.784 11.921
85 1HD1 LEU 14 1HD1 LEU 14 23.435 11.721 13.601
86 2HD1 LEU 14 3HD1 LEU 14 23.589 12.186 11.908
87 3HD1 LEU 14 2HD1 LEU 14 23.463 10.482 12.344
88 1HD2 LEU 14 1HD2 LEU 14 25.880 13.281 13.613
89 2HD2 LEU 14 3HD2 LEU 14 27.030 12.713 12.396
90 3HD2 LEU 14 2HD2 LEU 14 25.453 13.336 11.904
91 H GLN 15 H GLN 15 27.638 8.180 13.645
92 HA GLN 15 HA GLN 15 27.481 7.905 10.806
93 1HB GLN 15 2HB GLN 15 29.606 8.226 11.991
94 2HB GLN 15 1HB GLN 15 29.403 6.666 12.780
95 1HG GLN 15 2HG GLN 15 29.210 5.755 10.338
96 2HG GLN 15 1HG GLN 15 30.013 7.266 9.905
97 1HE2 GLN 15 2HD2 GLN 15 33.106 5.853 10.558
98 2HE2 GLN 15 1HD2 GLN 15 32.076 6.783 9.528
99 H ALA 16 H ALA 16 26.932 5.762 13.533
100 HA ALA 16 HA ALA 16 26.934 3.287 12.302
101 1HB ALA 16 3HB ALA 16 26.653 3.668 14.736
102 2HB ALA 16 2HB ALA 16 24.998 4.200 14.429
103 3HB ALA 16 1HB ALA 16 25.470 2.536 14.079
104 H SER 17 H SER 17 24.691 5.865 11.962
105 HA SER 17 HA SER 17 22.498 4.339 10.937
106 1HB SER 17 2HB SER 17 21.865 6.412 11.781
107 2HB SER 17 1HB SER 17 23.212 7.247 11.015
108 HG SER 17 HG SER 17 20.738 6.941 10.092
109 H ALA 18 H ALA 18 25.497 5.260 9.626
110 HA ALA 18 HA ALA 18 24.545 5.216 6.860
111 1HB ALA 18 3HB ALA 18 26.943 6.189 8.260
112 2HB ALA 18 2HB ALA 18 27.250 5.429 6.697
113 3HB ALA 18 1HB ALA 18 26.150 6.804 6.808
114 H THR 19 H THR 19 23.920 2.916 7.553
115 HA THR 19 HA THR 19 26.057 0.963 7.556
116 HB THR 19 HB THR 19 24.269 -0.696 7.625
117 HG1 THR 19 HG1 THR 19 22.617 1.553 7.149
118 1HG2 THR 19 2HG2 THR 19 24.556 1.454 9.559
119 2HG2 THR 19 1HG2 THR 19 22.925 0.783 9.585
120 3HG2 THR 19 3HG2 THR 19 24.316 -0.274 9.832
121 H GLU 20 H GLU 20 24.902 2.816 5.140
122 HA GLU 20 HA GLU 20 24.782 0.721 3.109
123 1HB GLU 20 2HB GLU 20 23.636 3.310 3.467
124 2HB GLU 20 1HB GLU 20 24.589 3.315 1.991
125 1HG GLU 20 2HG GLU 20 22.323 1.448 2.701
126 2HG GLU 20 1HG GLU 20 22.354 2.654 1.417
127 H TYR 21 H TYR 21 27.162 2.399 4.612
128 HA TYR 21 HA TYR 21 28.786 2.757 2.183
129 1HB TYR 21 2HB TYR 21 28.848 3.960 4.914
130 2HB TYR 21 1HB TYR 21 30.304 3.945 3.929
131 HD1 TYR 21 HD1 TYR 21 26.739 4.966 3.961
132 HD2 TYR 21 HD2 TYR 21 30.591 5.592 2.212
133 HE1 TYR 21 HE1 TYR 21 25.882 6.942 2.770
134 HE2 TYR 21 HE2 TYR 21 29.724 7.567 1.029
135 HH TYR 21 HH TYR 21 26.527 8.223 0.617
136 H ILE 22 H ILE 22 28.238 0.382 4.361
137 HA ILE 22 HA ILE 22 31.039 -0.346 4.783
138 HB ILE 22 HB ILE 22 28.568 -1.890 5.535
139 1HG1 ILE 22 2HG1 ILE 22 29.958 0.354 7.051
140 2HG1 ILE 22 1HG1 ILE 22 28.229 0.102 6.786
141 1HG2 ILE 22 1HG2 ILE 22 30.711 -3.139 5.461
142 2HG2 ILE 22 3HG2 ILE 22 31.369 -2.051 6.686
143 3HG2 ILE 22 2HG2 ILE 22 30.000 -3.093 7.076
144 1HD1 ILE 22 3HD1 ILE 22 29.979 -1.623 8.551
145 2HD1 ILE 22 2HD1 ILE 22 28.881 -0.361 9.112
146 3HD1 ILE 22 1HD1 ILE 22 28.239 -1.799 8.314
147 H GLY 23 H GLY 23 31.377 -0.522 2.499
148 1HA GLY 23 2HA GLY 23 31.734 -3.030 1.518
149 2HA GLY 23 1HA GLY 23 30.109 -2.612 0.974
150 H TYR 24 H TYR 24 30.391 0.085 0.472
151 HA TYR 24 HA TYR 24 31.895 0.040 -2.012
152 1HB TYR 24 2HB TYR 24 30.327 2.331 -0.847
153 2HB TYR 24 1HB TYR 24 30.780 2.083 -2.524
154 HD1 TYR 24 HD2 TYR 24 29.812 0.047 -3.741
155 HD2 TYR 24 HD1 TYR 24 28.248 1.500 -0.028
156 HE1 TYR 24 HE2 TYR 24 27.697 -1.145 -4.151
157 HE2 TYR 24 HE1 TYR 24 26.146 0.302 -0.456
158 HH TYR 24 HH TYR 24 24.884 -0.556 -2.448
159 H ALA 25 H ALA 25 32.062 1.541 1.152
160 HA ALA 25 HA ALA 25 34.058 3.469 0.564
161 1HB ALA 25 2HB ALA 25 33.104 2.158 3.098
162 2HB ALA 25 1HB ALA 25 34.468 3.281 3.102
163 3HB ALA 25 3HB ALA 25 32.878 3.825 2.562
164 H TRP 26 H TRP 26 34.155 0.058 1.024
165 HA TRP 26 HA TRP 26 36.851 -0.207 1.886
166 1HB TRP 26 2HB TRP 26 34.675 -1.951 1.100
167 2HB TRP 26 1HB TRP 26 36.199 -2.491 0.419
168 HD1 TRP 26 1HD TRP 26 34.240 -2.500 3.619
169 HE1 TRP 26 1HE TRP 26 35.658 -3.528 5.477
170 HE3 TRP 26 3HE TRP 26 38.804 -2.621 1.298
171 HZ2 TRP 26 2HZ TRP 26 38.316 -4.297 5.942
172 HZ3 TRP 26 3HZ TRP 26 40.746 -3.520 2.513
173 HH2 TRP 26 HH2 TRP 26 40.508 -4.351 4.815
174 H ALA 27 H ALA 27 35.286 -0.033 -1.259
175 HA ALA 27 HA ALA 27 37.352 -0.820 -2.935
176 1HB ALA 27 2HB ALA 27 34.897 0.723 -3.171
177 2HB ALA 27 1HB ALA 27 36.153 1.297 -4.270
178 3HB ALA 27 3HB ALA 27 35.641 -0.391 -4.320
179 H MET 28 H MET 28 36.880 2.196 -1.218
180 HA MET 28 HA MET 28 39.041 3.562 -2.562
181 1HB MET 28 2HB MET 28 37.070 4.187 -0.426
182 2HB MET 28 1HB MET 28 38.578 5.064 -0.379
183 1HG MET 28 2HG MET 28 36.465 5.098 -2.537
184 2HG MET 28 1HG MET 28 37.082 6.437 -1.588
185 1HE MET 28 1HE MET 28 36.430 6.420 -4.348
186 2HE MET 28 3HE MET 28 37.701 7.499 -4.941
187 3HE MET 28 2HE MET 28 37.580 5.853 -5.558
188 H VAL 29 H VAL 29 38.486 2.304 0.722
189 HA VAL 29 HA VAL 29 40.924 2.870 1.866
190 HB VAL 29 HB VAL 29 39.194 0.426 2.219
191 1HG1 VAL 29 3HG1 VAL 29 41.725 1.196 3.428
192 2HG1 VAL 29 2HG1 VAL 29 40.448 0.940 4.619
193 3HG1 VAL 29 1HG1 VAL 29 40.866 -0.344 3.483
194 1HG2 VAL 29 2HG2 VAL 29 38.764 3.152 2.842
195 2HG2 VAL 29 1HG2 VAL 29 37.773 1.762 3.292
196 3HG2 VAL 29 3HG2 VAL 29 39.063 2.310 4.364
197 H VAL 30 H VAL 30 40.167 0.530 -0.583
198 HA VAL 30 HA VAL 30 42.583 -1.004 -0.274
199 HB VAL 30 HB VAL 30 40.428 -0.898 -2.378
200 1HG1 VAL 30 3HG1 VAL 30 43.053 -2.028 -2.543
201 2HG1 VAL 30 2HG1 VAL 30 41.844 -3.315 -2.565
202 3HG1 VAL 30 1HG1 VAL 30 41.767 -2.009 -3.750
203 1HG2 VAL 30 1HG2 VAL 30 40.383 -1.967 0.148
204 2HG2 VAL 30 3HG2 VAL 30 39.352 -2.470 -1.193
205 3HG2 VAL 30 2HG2 VAL 30 40.841 -3.353 -0.845
206 H VAL 31 H VAL 31 41.402 1.624 -2.308
207 HA VAL 31 HA VAL 31 43.677 1.665 -4.038
208 HB VAL 31 HB VAL 31 41.464 3.641 -3.527
209 1HG1 VAL 31 1HG1 VAL 31 43.863 3.788 -5.225
210 2HG1 VAL 31 3HG1 VAL 31 42.345 4.243 -6.000
211 3HG1 VAL 31 2HG1 VAL 31 42.873 5.076 -4.537
212 1HG2 VAL 31 1HG2 VAL 31 41.423 1.171 -4.798
213 2HG2 VAL 31 3HG2 VAL 31 40.222 2.454 -4.961
214 3HG2 VAL 31 2HG2 VAL 31 41.548 2.334 -6.120
215 H ILE 32 H ILE 32 42.967 2.905 -0.928
216 HA ILE 32 HA ILE 32 45.037 4.961 -1.045
217 HB ILE 32 HB ILE 32 43.195 4.093 1.182
218 1HG1 ILE 32 2HG1 ILE 32 43.175 6.471 -0.680
219 2HG1 ILE 32 1HG1 ILE 32 41.991 5.168 -0.612
220 1HG2 ILE 32 1HG2 ILE 32 45.297 5.002 2.061
221 2HG2 ILE 32 3HG2 ILE 32 45.092 6.444 1.063
222 3HG2 ILE 32 2HG2 ILE 32 43.948 6.100 2.362
223 1HD1 ILE 32 2HD1 ILE 32 41.394 5.860 1.690
224 2HD1 ILE 32 1HD1 ILE 32 42.541 7.196 1.567
225 3HD1 ILE 32 3HD1 ILE 32 41.123 7.152 0.517
226 H VAL 33 H VAL 33 44.393 1.841 0.497
227 HA VAL 33 HA VAL 33 46.802 1.778 2.016
228 HB VAL 33 HB VAL 33 44.790 -0.306 1.177
229 1HG1 VAL 33 3HG1 VAL 33 47.385 -0.597 2.528
230 2HG1 VAL 33 2HG1 VAL 33 46.025 -1.437 3.276
231 3HG1 VAL 33 1HG1 VAL 33 46.449 -1.762 1.594
232 1HG2 VAL 33 2HG2 VAL 33 44.149 1.533 2.800
233 2HG2 VAL 33 1HG2 VAL 33 43.923 -0.123 3.370
234 3HG2 VAL 33 3HG2 VAL 33 45.310 0.816 3.922
235 H GLY 34 H GLY 34 45.716 0.112 -0.949
236 1HA GLY 34 2HA GLY 34 47.990 -1.303 -1.595
237 2HA GLY 34 1HA GLY 34 46.896 -0.612 -2.793
238 H ALA 35 H ALA 35 47.448 2.124 -1.747
239 HA ALA 35 HA ALA 35 49.577 2.808 -3.507
240 1HB ALA 35 2HB ALA 35 47.595 4.259 -2.848
241 2HB ALA 35 1HB ALA 35 48.444 4.559 -1.329
242 3HB ALA 35 3HB ALA 35 49.170 5.056 -2.859
243 H THR 36 H THR 36 49.416 1.960 -0.151
244 HA THR 36 HA THR 36 51.993 3.113 0.499
245 HB THR 36 HB THR 36 49.868 2.656 2.028
246 HG1 THR 36 HG1 THR 36 51.214 3.092 3.685
247 1HG2 THR 36 1HG2 THR 36 49.958 0.190 1.799
248 2HG2 THR 36 3HG2 THR 36 51.555 0.198 2.545
249 3HG2 THR 36 2HG2 THR 36 50.146 0.719 3.470
250 H ILE 37 H ILE 37 50.650 -0.137 0.020
251 HA ILE 37 HA ILE 37 52.893 -1.679 0.526
252 HB ILE 37 HB ILE 37 50.780 -2.062 -1.586
253 1HG1 ILE 37 2HG1 ILE 37 51.002 -3.067 1.236
254 2HG1 ILE 37 1HG1 ILE 37 49.855 -1.875 0.643
255 1HG2 ILE 37 1HG2 ILE 37 53.156 -3.575 -1.032
256 2HG2 ILE 37 3HG2 ILE 37 51.726 -4.541 -0.663
257 3HG2 ILE 37 2HG2 ILE 37 51.929 -3.844 -2.273
258 1HD1 ILE 37 2HD1 ILE 37 49.242 -3.827 -1.046
259 2HD1 ILE 37 1HD1 ILE 37 49.902 -4.831 0.247
260 3HD1 ILE 37 3HD1 ILE 37 48.537 -3.761 0.571
261 H GLY 38 H GLY 38 52.140 0.339 -2.214
262 1HA GLY 38 2HA GLY 38 54.055 -0.635 -4.054
263 2HA GLY 38 1HA GLY 38 53.348 0.982 -4.057
264 H ILE 39 H ILE 39 54.194 2.434 -2.294
265 HA ILE 39 HA ILE 39 56.926 2.883 -2.671
266 HB ILE 39 HB ILE 39 55.154 3.818 -0.418
267 1HG1 ILE 39 2HG1 ILE 39 55.746 5.691 -2.579
268 2HG1 ILE 39 1HG1 ILE 39 54.855 4.277 -3.126
269 1HG2 ILE 39 3HG2 ILE 39 57.936 4.286 -1.067
270 2HG2 ILE 39 2HG2 ILE 39 57.006 5.784 -1.016
271 3HG2 ILE 39 1HG2 ILE 39 57.027 4.711 0.384
272 1HD1 ILE 39 3HD1 ILE 39 53.522 4.903 -0.821
273 2HD1 ILE 39 2HD1 ILE 39 53.983 6.499 -1.417
274 3HD1 ILE 39 1HD1 ILE 39 53.032 5.416 -2.437
275 H LYS 40 H LYS 40 55.205 1.083 -0.187
276 HA LYS 40 HA LYS 40 57.309 0.774 1.648
277 1HB LYS 40 2HB LYS 40 54.735 0.172 1.737
278 2HB LYS 40 1HB LYS 40 55.327 -1.404 1.222
279 1HG LYS 40 2HG LYS 40 55.641 -1.770 3.416
280 2HG LYS 40 1HG LYS 40 57.074 -0.765 3.223
281 1HD LYS 40 2HD LYS 40 54.452 0.574 3.713
282 2HD LYS 40 1HD LYS 40 55.238 -0.229 5.071
283 1HE LYS 40 2HE LYS 40 56.180 2.133 3.459
284 2HE LYS 40 1HE LYS 40 56.044 1.970 5.208
285 1HZ LYS 40 3HZ LYS 40 57.842 0.204 4.954
286 2HZ LYS 40 2HZ LYS 40 58.110 0.872 3.415
287 3HZ LYS 40 1HZ LYS 40 58.301 1.829 4.804
288 H LEU 41 H LEU 41 56.167 -1.331 -0.974
289 HA LEU 41 HA LEU 41 58.036 -3.382 -0.739
290 1HB LEU 41 2HB LEU 41 56.369 -2.283 -2.950
291 2HB LEU 41 1HB LEU 41 57.641 -3.422 -3.369
292 HG LEU 41 HG LEU 41 55.377 -3.874 -1.416
293 1HD1 LEU 41 1HD1 LEU 41 55.950 -4.936 -4.174
294 2HD1 LEU 41 3HD1 LEU 41 54.800 -5.698 -3.074
295 3HD1 LEU 41 2HD1 LEU 41 54.533 -4.041 -3.621
296 1HD2 LEU 41 2HD2 LEU 41 57.905 -5.340 -1.855
297 2HD2 LEU 41 1HD2 LEU 41 56.854 -5.283 -0.438
298 3HD2 LEU 41 3HD2 LEU 41 56.446 -6.330 -1.797
299 H PHE 42 H PHE 42 58.401 -0.150 -1.905
300 HA PHE 42 HA PHE 42 60.779 -0.584 -3.454
301 1HB PHE 42 2HB PHE 42 59.023 1.366 -3.508
302 2HB PHE 42 1HB PHE 42 60.070 2.067 -2.281
303 HD1 PHE 42 HD2 PHE 42 62.501 2.437 -2.828
304 HD2 PHE 42 HD1 PHE 42 59.595 1.418 -5.785
305 HE1 PHE 42 HE2 PHE 42 64.014 3.248 -4.595
306 HE2 PHE 42 HE1 PHE 42 61.109 2.229 -7.553
307 HZ PHE 42 HZ PHE 42 63.319 3.146 -6.958
308 H LYS 43 H LYS 43 60.076 0.211 -0.110
309 HA LYS 43 HA LYS 43 62.816 0.897 0.500
310 1HB LYS 43 2HB LYS 43 60.410 0.473 2.263
311 2HB LYS 43 1HB LYS 43 61.981 1.025 2.843
312 1HG LYS 43 2HG LYS 43 60.778 2.501 0.547
313 2HG LYS 43 1HG LYS 43 60.021 2.723 2.111
314 1HD LYS 43 2HD LYS 43 61.734 3.954 2.932
315 2HD LYS 43 1HD LYS 43 62.963 2.985 2.132
316 1HE LYS 43 2HE LYS 43 62.418 5.509 1.423
317 2HE LYS 43 1HE LYS 43 62.991 4.306 0.272
318 1HZ LYS 43 2HZ LYS 43 60.103 4.604 0.745
319 2HZ LYS 43 1HZ LYS 43 60.903 5.724 -0.250
320 3HZ LYS 43 3HZ LYS 43 60.918 4.075 -0.648
321 H LYS 44 H LYS 44 61.040 -1.998 0.238
322 HA LYS 44 HA LYS 44 62.516 -3.478 2.231
323 1HB LYS 44 2HB LYS 44 60.233 -4.107 1.716
324 2HB LYS 44 1HB LYS 44 60.649 -4.389 0.038
325 1HG LYS 44 2HG LYS 44 62.378 -5.881 1.834
326 2HG LYS 44 1HG LYS 44 60.680 -6.268 2.092
327 1HD LYS 44 2HD LYS 44 60.516 -6.551 -0.451
328 2HD LYS 44 1HD LYS 44 62.274 -6.462 -0.471
329 1HE LYS 44 2HE LYS 44 60.550 -8.715 0.364
330 2HE LYS 44 1HE LYS 44 62.201 -8.712 -0.253
331 1HZ LYS 44 3HZ LYS 44 62.975 -8.034 1.936
332 2HZ LYS 44 2HZ LYS 44 61.382 -8.057 2.526
333 3HZ LYS 44 1HZ LYS 44 62.122 -9.497 2.012
334 H PHE 45 H PHE 45 62.323 -3.588 -1.323
335 HA PHE 45 HA PHE 45 64.393 -5.406 -1.778
336 1HB PHE 45 2HB PHE 45 63.040 -3.277 -3.347
337 2HB PHE 45 1HB PHE 45 64.555 -3.900 -3.959
338 HD1 PHE 45 HD2 PHE 45 64.796 -6.381 -4.415
339 HD2 PHE 45 HD1 PHE 45 61.013 -4.558 -3.546
340 HE1 PHE 45 HE2 PHE 45 63.628 -8.332 -5.346
341 HE2 PHE 45 HE1 PHE 45 59.866 -6.517 -4.481
342 HZ PHE 45 HZ PHE 45 61.167 -8.403 -5.380
343 H THR 46 H THR 46 64.474 -2.049 -0.913
344 HA THR 46 HA THR 46 67.276 -1.760 -1.633
345 HB THR 46 HB THR 46 66.964 0.540 -0.962
346 HG1 THR 46 HG1 THR 46 65.526 0.120 0.793
347 1HG2 THR 46 3HG2 THR 46 65.221 -0.803 -2.895
348 2HG2 THR 46 2HG2 THR 46 64.636 0.783 -2.384
349 3HG2 THR 46 1HG2 THR 46 66.243 0.622 -3.092
350 H SER 47 H SER 47 65.353 -2.573 1.104
351 HA SER 47 HA SER 47 67.153 -1.728 3.153
352 1HB SER 47 2HB SER 47 64.730 -2.210 3.499
353 2HB SER 47 1HB SER 47 65.075 -3.919 3.260
354 HG SER 47 HG SER 47 65.143 -2.743 5.521
355 H LYS 48 H LYS 48 66.991 -4.457 1.033
356 HA LYS 48 HA LYS 48 68.244 -6.503 2.310
357 1HB LYS 48 2HB LYS 48 68.711 -5.507 -0.498
358 2HB LYS 48 1HB LYS 48 69.259 -7.069 0.099
359 1HG LYS 48 2HG LYS 48 66.402 -6.483 0.559
360 2HG LYS 48 1HG LYS 48 66.868 -6.648 -1.130
361 1HD LYS 48 2HD LYS 48 67.748 -8.685 0.894
362 2HD LYS 48 1HD LYS 48 66.134 -8.765 0.196
363 1HE LYS 48 2HE LYS 48 67.002 -9.036 -2.007
364 2HE LYS 48 1HE LYS 48 68.630 -8.605 -1.492
365 1HZ LYS 48 3HZ LYS 48 67.465 -10.863 -0.112
366 2HZ LYS 48 2HZ LYS 48 67.744 -11.109 -1.770
367 3HZ LYS 48 1HZ LYS 48 69.025 -10.662 -0.747
368 H ALA 49 H ALA 49 69.651 -3.474 1.325
369 HA ALA 49 HA ALA 49 72.298 -3.855 1.129
370 1HB ALA 49 3HB ALA 49 70.634 -1.701 2.245
371 2HB ALA 49 2HB ALA 49 72.326 -1.681 2.749
372 3HB ALA 49 1HB ALA 49 71.915 -1.632 1.033
373 H SER 50 H SER 50 70.802 -3.214 4.304
374 HA SER 50 HA SER 50 73.041 -3.833 5.856
375 1HB SER 50 2HB SER 50 70.107 -3.693 6.359
376 2HB SER 50 1HB SER 50 71.134 -4.422 7.588
377 HG SER 50 HG SER 50 71.323 -1.804 6.480
No H/Q in entry = 377
Start of MODEL 10
1 1H ALA 1 2H ALA 1 44.653 -7.622 28.293
2 2H ALA 1 1H ALA 1 44.810 -7.425 29.972
3 3H ALA 1 3H ALA 1 45.663 -8.659 29.182
4 HA ALA 1 HA ALA 1 43.971 -10.064 29.231
5 1HB ALA 1 1HB ALA 1 42.890 -7.914 31.079
6 2HB ALA 1 3HB ALA 1 42.210 -9.539 30.956
7 3HB ALA 1 2HB ALA 1 43.863 -9.312 31.539
8 H GLU 2 H GLU 2 41.763 -10.576 28.651
9 HA GLU 2 HA GLU 2 40.040 -10.499 27.137
10 1HB GLU 2 2HB GLU 2 40.026 -7.723 28.294
11 2HB GLU 2 1HB GLU 2 38.836 -8.234 27.099
12 1HG GLU 2 2HG GLU 2 38.881 -10.299 28.980
13 2HG GLU 2 1HG GLU 2 38.961 -8.818 29.937
14 H GLY 3 H GLY 3 42.326 -10.517 25.810
15 1HA GLY 3 2HA GLY 3 42.825 -8.297 24.110
16 2HA GLY 3 1HA GLY 3 43.406 -9.942 23.866
17 H ASP 4 H ASP 4 42.479 -11.162 22.337
18 HA ASP 4 HA ASP 4 40.707 -9.997 20.445
19 1HB ASP 4 2HB ASP 4 42.475 -11.789 20.038
20 2HB ASP 4 1HB ASP 4 41.305 -12.937 20.692
21 H ASP 5 H ASP 5 39.160 -9.519 22.378
22 HA ASP 5 HA ASP 5 37.528 -11.465 23.508
23 1HB ASP 5 2HB ASP 5 37.606 -9.040 24.130
24 2HB ASP 5 1HB ASP 5 36.656 -8.696 22.684
25 HA PRO 6 HA PRO 6 35.336 -12.694 19.797
26 1HB PRO 6 2HB PRO 6 33.980 -14.765 20.883
27 2HB PRO 6 1HB PRO 6 35.691 -14.847 20.436
28 1HG PRO 6 2HG PRO 6 34.457 -14.679 23.103
29 2HG PRO 6 1HG PRO 6 36.026 -15.342 22.622
30 1HD PRO 6 2HD PRO 6 35.537 -12.826 23.820
31 2HD PRO 6 1HD PRO 6 37.070 -13.419 23.158
32 H ALA 7 H ALA 7 33.976 -11.520 22.717
33 HA ALA 7 HA ALA 7 31.242 -11.824 22.392
34 1HB ALA 7 1HB ALA 7 32.282 -10.833 24.383
35 2HB ALA 7 3HB ALA 7 32.706 -9.398 23.446
36 3HB ALA 7 2HB ALA 7 31.011 -9.791 23.738
37 H LYS 8 H LYS 8 33.457 -9.829 20.616
38 HA LYS 8 HA LYS 8 31.687 -7.921 19.551
39 1HB LYS 8 2HB LYS 8 34.112 -9.128 18.205
40 2HB LYS 8 1HB LYS 8 33.379 -7.575 17.864
41 1HG LYS 8 2HG LYS 8 34.186 -6.600 19.845
42 2HG LYS 8 1HG LYS 8 34.422 -8.168 20.614
43 1HD LYS 8 2HD LYS 8 36.493 -6.814 19.744
44 2HD LYS 8 1HD LYS 8 36.437 -8.559 19.564
45 1HE LYS 8 2HE LYS 8 37.202 -7.173 17.536
46 2HE LYS 8 1HE LYS 8 35.997 -8.426 17.249
47 1HZ LYS 8 2HZ LYS 8 34.736 -5.981 17.930
48 2HZ LYS 8 1HZ LYS 8 35.814 -5.737 16.640
49 3HZ LYS 8 3HZ LYS 8 34.592 -6.903 16.510
50 H ALA 9 H ALA 9 32.186 -11.264 18.834
51 HA ALA 9 HA ALA 9 31.480 -11.716 16.279
52 1HB ALA 9 3HB ALA 9 30.431 -13.120 18.734
53 2HB ALA 9 2HB ALA 9 30.217 -13.730 17.092
54 3HB ALA 9 1HB ALA 9 31.839 -13.555 17.764
55 H ALA 10 H ALA 10 28.821 -11.980 18.612
56 HA ALA 10 HA ALA 10 26.727 -11.656 16.865
57 1HB ALA 10 3HB ALA 10 27.099 -11.491 19.736
58 2HB ALA 10 2HB ALA 10 25.853 -10.373 19.179
59 3HB ALA 10 1HB ALA 10 25.721 -12.094 18.814
60 H PHE 11 H PHE 11 28.190 -9.050 18.816
61 HA PHE 11 HA PHE 11 26.715 -6.907 17.882
62 1HB PHE 11 2HB PHE 11 28.728 -7.125 19.610
63 2HB PHE 11 1HB PHE 11 29.639 -6.511 18.238
64 HD1 PHE 11 HD1 PHE 11 28.334 -4.516 16.966
65 HD2 PHE 11 HD2 PHE 11 27.983 -5.477 21.123
66 HE1 PHE 11 HE1 PHE 11 27.602 -2.214 17.444
67 HE2 PHE 11 HE2 PHE 11 27.256 -3.177 21.588
68 HZ PHE 11 HZ PHE 11 27.063 -1.543 19.753
69 H ASN 12 H ASN 12 29.480 -8.507 16.393
70 HA ASN 12 HA ASN 12 29.799 -6.628 14.262
71 1HB ASN 12 2HB ASN 12 31.369 -8.572 15.234
72 2HB ASN 12 1HB ASN 12 30.646 -9.445 13.882
73 1HD2 ASN 12 1HD2 ASN 12 31.370 -9.048 11.873
74 2HD2 ASN 12 2HD2 ASN 12 32.502 -7.813 11.446
75 H SER 13 H SER 13 27.986 -9.603 14.709
76 HA SER 13 HA SER 13 27.222 -10.028 12.023
77 1HB SER 13 2HB SER 13 25.267 -10.812 14.060
78 2HB SER 13 1HB SER 13 26.110 -11.796 12.863
79 HG SER 13 HG SER 13 27.206 -12.462 14.545
80 H LEU 14 H LEU 14 26.002 -7.948 14.541
81 HA LEU 14 HA LEU 14 23.509 -7.378 13.230
82 1HB LEU 14 2HB LEU 14 23.578 -7.217 15.620
83 2HB LEU 14 1HB LEU 14 24.946 -6.110 15.558
84 HG LEU 14 HG LEU 14 23.579 -4.385 14.540
85 1HD1 LEU 14 3HD1 LEU 14 21.430 -6.502 14.508
86 2HD1 LEU 14 2HD1 LEU 14 21.048 -4.782 14.433
87 3HD1 LEU 14 1HD1 LEU 14 22.032 -5.520 13.169
88 1HD2 LEU 14 3HD2 LEU 14 22.282 -5.591 16.999
89 2HD2 LEU 14 2HD2 LEU 14 23.555 -4.366 16.955
90 3HD2 LEU 14 1HD2 LEU 14 21.933 -3.977 16.380
91 H GLN 15 H GLN 15 26.714 -5.980 13.296
92 HA GLN 15 HA GLN 15 25.845 -3.602 11.832
93 1HB GLN 15 2HB GLN 15 27.479 -3.358 13.648
94 2HB GLN 15 1HB GLN 15 28.582 -4.432 12.796
95 1HG GLN 15 2HG GLN 15 28.251 -2.693 10.837
96 2HG GLN 15 1HG GLN 15 27.813 -1.620 12.167
97 1HE2 GLN 15 2HD2 GLN 15 31.523 -1.577 11.477
98 2HE2 GLN 15 1HD2 GLN 15 30.131 -1.437 10.462
99 H ALA 16 H ALA 16 27.745 -6.533 11.367
100 HA ALA 16 HA ALA 16 28.681 -5.863 8.755
101 1HB ALA 16 2HB ALA 16 29.663 -7.574 10.380
102 2HB ALA 16 1HB ALA 16 28.382 -8.656 9.831
103 3HB ALA 16 3HB ALA 16 29.573 -8.044 8.682
104 H SER 17 H SER 17 25.607 -6.616 9.832
105 HA SER 17 HA SER 17 24.710 -8.264 7.670
106 1HB SER 17 2HB SER 17 23.433 -6.781 9.915
107 2HB SER 17 1HB SER 17 22.425 -7.259 8.554
108 HG SER 17 HG SER 17 22.399 -8.989 9.925
109 H ALA 18 H ALA 18 24.404 -4.805 8.443
110 HA ALA 18 HA ALA 18 23.348 -4.285 5.752
111 1HB ALA 18 2HB ALA 18 23.127 -3.016 8.373
112 2HB ALA 18 1HB ALA 18 23.460 -1.869 7.074
113 3HB ALA 18 3HB ALA 18 22.048 -2.923 6.977
114 H THR 19 H THR 19 26.163 -5.013 6.229
115 HA THR 19 HA THR 19 27.541 -2.506 5.592
116 HB THR 19 HB THR 19 28.660 -5.236 6.212
117 HG1 THR 19 HG1 THR 19 28.768 -2.955 7.865
118 1HG2 THR 19 2HG2 THR 19 29.923 -3.018 4.997
119 2HG2 THR 19 1HG2 THR 19 30.485 -3.063 6.669
120 3HG2 THR 19 3HG2 THR 19 30.685 -4.475 5.631
121 H GLU 20 H GLU 20 25.756 -3.698 3.694
122 HA GLU 20 HA GLU 20 27.456 -4.893 1.661
123 1HB GLU 20 2HB GLU 20 24.692 -4.964 2.296
124 2HB GLU 20 1HB GLU 20 24.846 -4.242 0.699
125 1HG GLU 20 2HG GLU 20 25.854 -6.945 1.604
126 2HG GLU 20 1HG GLU 20 24.623 -6.603 0.392
127 H TYR 21 H TYR 21 26.436 -1.838 2.644
128 HA TYR 21 HA TYR 21 26.914 -0.645 0.000
129 1HB TYR 21 2HB TYR 21 25.459 0.263 2.457
130 2HB TYR 21 1HB TYR 21 26.045 1.440 1.292
131 HD1 TYR 21 HD1 TYR 21 25.187 1.395 -1.049
132 HD2 TYR 21 HD2 TYR 21 23.570 -1.125 2.007
133 HE1 TYR 21 HE1 TYR 21 23.195 0.981 -2.437
134 HE2 TYR 21 HE2 TYR 21 21.582 -1.529 0.609
135 HH TYR 21 HH TYR 21 21.329 -0.249 -2.673
136 H ILE 22 H ILE 22 28.234 -1.000 3.174
137 HA ILE 22 HA ILE 22 30.020 1.274 3.008
138 HB ILE 22 HB ILE 22 29.874 -1.092 4.879
139 1HG1 ILE 22 2HG1 ILE 22 28.069 0.936 4.778
140 2HG1 ILE 22 1HG1 ILE 22 28.527 0.152 6.299
141 1HG2 ILE 22 2HG2 ILE 22 32.177 -0.181 4.724
142 2HG2 ILE 22 1HG2 ILE 22 31.561 1.403 5.196
143 3HG2 ILE 22 3HG2 ILE 22 31.468 0.050 6.325
144 1HD1 ILE 22 2HD1 ILE 22 29.785 2.688 5.224
145 2HD1 ILE 22 1HD1 ILE 22 28.513 2.620 6.443
146 3HD1 ILE 22 3HD1 ILE 22 30.099 1.927 6.786
147 H GLY 23 H GLY 23 30.038 -2.022 1.965
148 1HA GLY 23 2HA GLY 23 32.830 -2.487 1.913
149 2HA GLY 23 1HA GLY 23 31.624 -3.329 0.943
150 H TYR 24 H TYR 24 30.890 -0.359 0.100
151 HA TYR 24 HA TYR 24 32.334 -0.429 -2.382
152 1HB TYR 24 2HB TYR 24 30.495 1.607 -1.126
153 2HB TYR 24 1HB TYR 24 31.227 1.819 -2.707
154 HD1 TYR 24 HD2 TYR 24 30.411 -1.632 -2.008
155 HD2 TYR 24 HD1 TYR 24 28.767 2.082 -3.366
156 HE1 TYR 24 HE2 TYR 24 28.530 -2.829 -3.032
157 HE2 TYR 24 HE1 TYR 24 26.888 0.862 -4.385
158 HH TYR 24 HH TYR 24 26.805 -2.640 -4.507
159 H ALA 25 H ALA 25 32.592 1.309 0.648
160 HA ALA 25 HA ALA 25 34.582 3.170 -0.225
161 1HB ALA 25 2HB ALA 25 33.085 3.425 1.803
162 2HB ALA 25 1HB ALA 25 34.094 2.216 2.600
163 3HB ALA 25 3HB ALA 25 34.797 3.751 2.084
164 H TRP 26 H TRP 26 34.558 -0.118 0.863
165 HA TRP 26 HA TRP 26 37.230 -0.402 1.713
166 1HB TRP 26 2HB TRP 26 34.983 -2.135 1.067
167 2HB TRP 26 1HB TRP 26 36.512 -2.820 0.550
168 HD1 TRP 26 1HD TRP 26 34.342 -2.756 3.478
169 HE1 TRP 26 1HE TRP 26 35.622 -3.378 5.590
170 HE3 TRP 26 3HE TRP 26 39.136 -2.345 1.744
171 HZ2 TRP 26 2HZ TRP 26 38.284 -3.682 6.447
172 HZ3 TRP 26 3HZ TRP 26 41.011 -2.825 3.268
173 HH2 TRP 26 HH2 TRP 26 40.592 -3.489 5.599
174 H ALA 27 H ALA 27 35.713 -0.336 -1.421
175 HA ALA 27 HA ALA 27 37.896 -1.400 -2.910
176 1HB ALA 27 1HB ALA 27 35.248 -0.530 -3.429
177 2HB ALA 27 3HB ALA 27 36.315 0.407 -4.478
178 3HB ALA 27 2HB ALA 27 36.354 -1.356 -4.531
179 H MET 28 H MET 28 37.068 1.740 -1.672
180 HA MET 28 HA MET 28 39.073 3.125 -3.258
181 1HB MET 28 2HB MET 28 36.840 3.862 -1.513
182 2HB MET 28 1HB MET 28 38.267 4.844 -1.246
183 1HG MET 28 2HG MET 28 36.757 4.473 -3.836
184 2HG MET 28 1HG MET 28 36.897 5.936 -2.879
185 1HE MET 28 1HE MET 28 37.547 7.515 -4.095
186 2HE MET 28 3HE MET 28 39.229 7.837 -3.644
187 3HE MET 28 2HE MET 28 38.797 7.593 -5.337
188 H VAL 29 H VAL 29 38.526 2.226 0.119
189 HA VAL 29 HA VAL 29 40.775 3.330 1.291
190 HB VAL 29 HB VAL 29 39.372 0.734 1.905
191 1HG1 VAL 29 1HG1 VAL 29 41.512 2.247 3.317
192 2HG1 VAL 29 3HG1 VAL 29 40.278 1.426 4.273
193 3HG1 VAL 29 2HG1 VAL 29 41.283 0.505 3.151
194 1HG2 VAL 29 3HG2 VAL 29 38.670 3.525 2.266
195 2HG2 VAL 29 2HG2 VAL 29 37.681 2.079 2.474
196 3HG2 VAL 29 1HG2 VAL 29 38.697 2.651 3.799
197 H VAL 30 H VAL 30 40.408 0.236 -0.394
198 HA VAL 30 HA VAL 30 42.940 -0.817 0.121
199 HB VAL 30 HB VAL 30 40.849 -1.893 -0.899
200 1HG1 VAL 30 2HG1 VAL 30 41.036 -0.170 -2.864
201 2HG1 VAL 30 1HG1 VAL 30 42.138 -1.374 -3.530
202 3HG1 VAL 30 3HG1 VAL 30 40.471 -1.816 -3.159
203 1HG2 VAL 30 3HG2 VAL 30 42.989 -3.021 -0.467
204 2HG2 VAL 30 2HG2 VAL 30 42.177 -3.638 -1.907
205 3HG2 VAL 30 1HG2 VAL 30 43.548 -2.537 -2.068
206 H VAL 31 H VAL 31 41.865 1.541 -2.227
207 HA VAL 31 HA VAL 31 44.272 1.494 -3.776
208 HB VAL 31 HB VAL 31 41.986 3.447 -3.645
209 1HG1 VAL 31 2HG1 VAL 31 44.500 3.442 -5.180
210 2HG1 VAL 31 1HG1 VAL 31 43.033 3.792 -6.097
211 3HG1 VAL 31 3HG1 VAL 31 43.459 4.784 -4.702
212 1HG2 VAL 31 2HG2 VAL 31 41.772 0.938 -4.466
213 2HG2 VAL 31 1HG2 VAL 31 40.961 2.254 -5.317
214 3HG2 VAL 31 3HG2 VAL 31 42.480 1.607 -5.938
215 H ILE 32 H ILE 32 43.150 3.123 -0.959
216 HA ILE 32 HA ILE 32 45.234 5.159 -1.057
217 HB ILE 32 HB ILE 32 43.129 4.537 1.013
218 1HG1 ILE 32 2HG1 ILE 32 43.291 6.848 -0.921
219 2HG1 ILE 32 1HG1 ILE 32 42.365 5.382 -1.230
220 1HG2 ILE 32 3HG2 ILE 32 45.498 6.078 1.254
221 2HG2 ILE 32 2HG2 ILE 32 44.136 7.200 1.193
222 3HG2 ILE 32 1HG2 ILE 32 44.174 5.922 2.410
223 1HD1 ILE 32 3HD1 ILE 32 41.074 5.800 0.850
224 2HD1 ILE 32 2HD1 ILE 32 41.955 7.314 1.061
225 3HD1 ILE 32 1HD1 ILE 32 40.894 7.096 -0.334
226 H VAL 33 H VAL 33 44.439 2.201 0.680
227 HA VAL 33 HA VAL 33 46.753 2.369 2.409
228 HB VAL 33 HB VAL 33 44.497 0.439 1.972
229 1HG1 VAL 33 1HG1 VAL 33 46.970 -0.064 3.614
230 2HG1 VAL 33 3HG1 VAL 33 45.460 -0.959 3.800
231 3HG1 VAL 33 2HG1 VAL 33 46.345 -1.029 2.276
232 1HG2 VAL 33 1HG2 VAL 33 45.371 2.339 4.085
233 2HG2 VAL 33 3HG2 VAL 33 43.759 2.024 3.442
234 3HG2 VAL 33 2HG2 VAL 33 44.492 0.890 4.580
235 H GLY 34 H GLY 34 45.842 0.996 -0.653
236 1HA GLY 34 2HA GLY 34 47.925 -0.950 -0.845
237 2HA GLY 34 1HA GLY 34 46.965 -0.311 -2.184
238 H ALA 35 H ALA 35 47.561 2.429 -1.807
239 HA ALA 35 HA ALA 35 49.856 2.779 -3.342
240 1HB ALA 35 2HB ALA 35 48.387 4.625 -1.466
241 2HB ALA 35 1HB ALA 35 49.786 5.158 -2.400
242 3HB ALA 35 3HB ALA 35 48.335 4.590 -3.230
243 H THR 36 H THR 36 49.420 2.512 0.105
244 HA THR 36 HA THR 36 52.011 3.375 0.904
245 HB THR 36 HB THR 36 49.873 1.696 2.208
246 HG1 THR 36 HG1 THR 36 49.283 3.762 2.293
247 1HG2 THR 36 1HG2 THR 36 52.618 2.382 3.227
248 2HG2 THR 36 3HG2 THR 36 51.265 2.148 4.336
249 3HG2 THR 36 2HG2 THR 36 51.773 0.832 3.273
250 H ILE 37 H ILE 37 50.574 0.172 0.320
251 HA ILE 37 HA ILE 37 52.810 -1.401 0.896
252 HB ILE 37 HB ILE 37 50.665 -1.833 -1.179
253 1HG1 ILE 37 2HG1 ILE 37 50.889 -2.712 1.687
254 2HG1 ILE 37 1HG1 ILE 37 49.739 -1.552 1.036
255 1HG2 ILE 37 1HG2 ILE 37 52.600 -3.257 -1.603
256 2HG2 ILE 37 3HG2 ILE 37 52.572 -3.808 0.073
257 3HG2 ILE 37 2HG2 ILE 37 51.238 -4.210 -1.010
258 1HD1 ILE 37 3HD1 ILE 37 49.089 -3.560 -0.544
259 2HD1 ILE 37 2HD1 ILE 37 49.807 -4.529 0.744
260 3HD1 ILE 37 1HD1 ILE 37 48.441 -3.468 1.094
261 H GLY 38 H GLY 38 51.999 0.545 -1.879
262 1HA GLY 38 2HA GLY 38 53.950 -0.478 -3.686
263 2HA GLY 38 1HA GLY 38 53.132 1.080 -3.808
264 H ILE 39 H ILE 39 54.092 1.612 -0.957
265 HA ILE 39 HA ILE 39 56.662 2.772 -1.739
266 HB ILE 39 HB ILE 39 55.457 3.136 0.963
267 1HG1 ILE 39 2HG1 ILE 39 53.510 3.513 -0.325
268 2HG1 ILE 39 1HG1 ILE 39 54.168 5.087 0.058
269 1HG2 ILE 39 2HG2 ILE 39 57.674 4.098 0.100
270 2HG2 ILE 39 1HG2 ILE 39 56.658 5.217 -0.811
271 3HG2 ILE 39 3HG2 ILE 39 56.561 5.174 0.948
272 1HD1 ILE 39 3HD1 ILE 39 55.269 5.072 -2.218
273 2HD1 ILE 39 2HD1 ILE 39 54.290 3.647 -2.586
274 3HD1 ILE 39 1HD1 ILE 39 53.510 5.182 -2.218
275 H LYS 40 H LYS 40 55.246 0.686 0.712
276 HA LYS 40 HA LYS 40 57.563 0.066 2.158
277 1HB LYS 40 2HB LYS 40 54.872 -0.781 2.117
278 2HB LYS 40 1HB LYS 40 55.858 -2.215 1.918
279 1HG LYS 40 2HG LYS 40 55.824 -2.171 4.176
280 2HG LYS 40 1HG LYS 40 57.241 -1.164 3.914
281 1HD LYS 40 2HD LYS 40 54.408 -0.206 4.423
282 2HD LYS 40 1HD LYS 40 55.729 -0.173 5.580
283 1HE LYS 40 2HE LYS 40 56.820 1.584 4.479
284 2HE LYS 40 1HE LYS 40 55.969 1.295 2.955
285 1HZ LYS 40 1HZ LYS 40 54.041 1.845 4.860
286 2HZ LYS 40 3HZ LYS 40 55.265 2.998 5.080
287 3HZ LYS 40 2HZ LYS 40 54.530 2.822 3.559
288 H LEU 41 H LEU 41 56.121 -1.515 -0.667
289 HA LEU 41 HA LEU 41 57.947 -3.606 -0.968
290 1HB LEU 41 2HB LEU 41 56.182 -2.082 -2.838
291 2HB LEU 41 1HB LEU 41 57.353 -3.211 -3.504
292 HG LEU 41 HG LEU 41 55.442 -3.990 -1.313
293 1HD1 LEU 41 2HD1 LEU 41 54.988 -4.012 -4.288
294 2HD1 LEU 41 1HD1 LEU 41 54.085 -5.045 -3.178
295 3HD1 LEU 41 3HD1 LEU 41 53.980 -3.289 -3.033
296 1HD2 LEU 41 2HD2 LEU 41 57.549 -5.358 -2.004
297 2HD2 LEU 41 1HD2 LEU 41 56.012 -6.189 -1.766
298 3HD2 LEU 41 3HD2 LEU 41 56.569 -5.822 -3.398
299 H PHE 42 H PHE 42 58.110 -0.229 -1.909
300 HA PHE 42 HA PHE 42 60.460 -0.385 -3.499
301 1HB PHE 42 2HB PHE 42 58.666 1.512 -3.214
302 2HB PHE 42 1HB PHE 42 59.741 2.058 -1.935
303 HD1 PHE 42 HD1 PHE 42 62.394 1.573 -2.971
304 HD2 PHE 42 HD2 PHE 42 58.896 2.921 -5.020
305 HE1 PHE 42 HE1 PHE 42 63.806 2.690 -4.653
306 HE2 PHE 42 HE2 PHE 42 60.311 4.035 -6.701
307 HZ PHE 42 HZ PHE 42 62.766 3.919 -6.518
308 H LYS 43 H LYS 43 59.896 0.586 -0.128
309 HA LYS 43 HA LYS 43 62.577 1.038 0.567
310 1HB LYS 43 2HB LYS 43 60.154 0.299 2.178
311 2HB LYS 43 1HB LYS 43 61.709 0.716 2.904
312 1HG LYS 43 2HG LYS 43 60.957 2.617 0.848
313 2HG LYS 43 1HG LYS 43 59.698 2.473 2.056
314 1HD LYS 43 2HD LYS 43 61.205 3.057 3.843
315 2HD LYS 43 1HD LYS 43 62.598 2.946 2.773
316 1HE LYS 43 2HE LYS 43 60.767 5.180 3.248
317 2HE LYS 43 1HE LYS 43 62.406 5.179 2.599
318 1HZ LYS 43 3HZ LYS 43 61.464 4.460 0.453
319 2HZ LYS 43 2HZ LYS 43 59.901 4.617 1.102
320 3HZ LYS 43 1HZ LYS 43 60.901 5.983 0.946
321 H LYS 44 H LYS 44 60.929 -1.898 -0.065
322 HA LYS 44 HA LYS 44 62.906 -3.458 1.448
323 1HB LYS 44 2HB LYS 44 60.131 -3.723 1.153
324 2HB LYS 44 1HB LYS 44 60.815 -4.997 0.161
325 1HG LYS 44 2HG LYS 44 61.623 -4.583 3.042
326 2HG LYS 44 1HG LYS 44 60.280 -5.603 2.554
327 1HD LYS 44 2HD LYS 44 62.390 -6.401 0.886
328 2HD LYS 44 1HD LYS 44 63.149 -6.169 2.461
329 1HE LYS 44 2HE LYS 44 62.150 -8.516 1.875
330 2HE LYS 44 1HE LYS 44 61.907 -7.847 3.486
331 1HZ LYS 44 1HZ LYS 44 59.906 -7.246 1.434
332 2HZ LYS 44 3HZ LYS 44 59.939 -8.818 2.069
333 3HZ LYS 44 2HZ LYS 44 59.712 -7.490 3.104
334 H PHE 45 H PHE 45 61.213 -3.634 -1.716
335 HA PHE 45 HA PHE 45 63.383 -5.197 -2.842
336 1HB PHE 45 2HB PHE 45 60.675 -4.341 -3.713
337 2HB PHE 45 1HB PHE 45 61.870 -4.622 -4.959
338 HD1 PHE 45 HD1 PHE 45 63.184 -6.877 -4.868
339 HD2 PHE 45 HD2 PHE 45 59.436 -6.212 -2.873
340 HE1 PHE 45 HE1 PHE 45 62.799 -9.299 -4.744
341 HE2 PHE 45 HE2 PHE 45 59.080 -8.637 -2.764
342 HZ PHE 45 HZ PHE 45 60.754 -10.180 -3.696
343 H THR 46 H THR 46 62.178 -1.920 -2.976
344 HA THR 46 HA THR 46 62.879 -0.075 -4.161
345 HB THR 46 HB THR 46 64.406 0.114 -2.410
346 HG1 THR 46 HG1 THR 46 66.117 1.038 -3.413
347 1HG2 THR 46 3HG2 THR 46 65.971 -2.148 -3.659
348 2HG2 THR 46 2HG2 THR 46 66.473 -1.228 -2.240
349 3HG2 THR 46 1HG2 THR 46 65.018 -2.226 -2.177
350 H SER 47 H SER 47 62.204 -1.581 -6.106
351 HA SER 47 HA SER 47 62.562 -2.256 -8.271
352 1HB SER 47 2HB SER 47 64.265 -0.717 -9.464
353 2HB SER 47 1HB SER 47 62.793 -0.009 -8.809
354 HG SER 47 HG SER 47 64.156 1.248 -7.767
355 H LYS 48 H LYS 48 64.289 -3.494 -6.127
356 HA LYS 48 HA LYS 48 66.888 -3.952 -6.832
357 1HB LYS 48 2HB LYS 48 64.799 -5.479 -5.429
358 2HB LYS 48 1HB LYS 48 66.117 -6.453 -6.076
359 1HG LYS 48 2HG LYS 48 66.543 -4.011 -4.346
360 2HG LYS 48 1HG LYS 48 66.446 -5.650 -3.712
361 1HD LYS 48 2HD LYS 48 68.645 -5.820 -4.080
362 2HD LYS 48 1HD LYS 48 68.283 -5.826 -5.803
363 1HE LYS 48 2HE LYS 48 69.901 -4.112 -5.459
364 2HE LYS 48 1HE LYS 48 68.360 -3.297 -5.710
365 1HZ LYS 48 2HZ LYS 48 68.167 -3.264 -3.218
366 2HZ LYS 48 1HZ LYS 48 69.800 -3.731 -3.163
367 3HZ LYS 48 3HZ LYS 48 69.364 -2.258 -3.883
368 H ALA 49 H ALA 49 64.101 -5.872 -7.948
369 HA ALA 49 HA ALA 49 65.260 -7.647 -9.626
370 1HB ALA 49 2HB ALA 49 62.675 -6.146 -9.816
371 2HB ALA 49 1HB ALA 49 63.141 -7.284 -11.082
372 3HB ALA 49 3HB ALA 49 62.951 -7.843 -9.418
373 H SER 50 H SER 50 65.618 -7.722 -11.923
374 HA SER 50 HA SER 50 66.595 -6.985 -13.859
375 1HB SER 50 2HB SER 50 65.569 -5.202 -14.934
376 2HB SER 50 1HB SER 50 64.329 -5.708 -13.793
377 HG SER 50 HG SER 50 64.948 -3.348 -13.929
No H/Q in entry = 377
Start of MODEL 11
1 1H ALA 1 1H ALA 1 19.295 -29.894 9.987
2 2H ALA 1 3H ALA 1 19.106 -28.212 10.081
3 3H ALA 1 2H ALA 1 19.332 -28.957 8.571
4 HA ALA 1 HA ALA 1 21.426 -28.214 8.902
5 1HB ALA 1 3HB ALA 1 21.011 -28.734 11.865
6 2HB ALA 1 2HB ALA 1 22.490 -28.088 11.151
7 3HB ALA 1 1HB ALA 1 20.990 -27.155 11.076
8 H GLU 2 H GLU 2 20.960 -30.514 7.840
9 HA GLU 2 HA GLU 2 23.191 -32.098 8.315
10 1HB GLU 2 2HB GLU 2 21.525 -32.553 10.358
11 2HB GLU 2 1HB GLU 2 20.852 -33.694 9.197
12 1HG GLU 2 2HG GLU 2 22.475 -35.130 9.747
13 2HG GLU 2 1HG GLU 2 23.648 -34.005 9.060
14 H GLY 3 H GLY 3 21.903 -31.029 6.110
15 1HA GLY 3 2HA GLY 3 20.693 -33.315 4.743
16 2HA GLY 3 1HA GLY 3 20.556 -31.638 4.231
17 H ASP 4 H ASP 4 21.805 -34.402 3.247
18 HA ASP 4 HA ASP 4 24.530 -33.970 2.739
19 1HB ASP 4 2HB ASP 4 22.724 -35.982 2.227
20 2HB ASP 4 1HB ASP 4 23.112 -35.389 0.612
21 H ASP 5 H ASP 5 21.649 -32.900 1.070
22 HA ASP 5 HA ASP 5 22.855 -30.701 -0.159
23 1HB ASP 5 2HB ASP 5 23.996 -32.486 -1.489
24 2HB ASP 5 1HB ASP 5 22.413 -32.987 -2.082
25 HA PRO 6 HA PRO 6 18.268 -30.788 -0.271
26 1HB PRO 6 2HB PRO 6 17.881 -28.471 1.072
27 2HB PRO 6 1HB PRO 6 18.099 -30.035 1.871
28 1HG PRO 6 2HG PRO 6 19.966 -27.769 1.635
29 2HG PRO 6 1HG PRO 6 19.875 -29.035 2.869
30 1HD PRO 6 2HD PRO 6 21.696 -28.899 0.715
31 2HD PRO 6 1HD PRO 6 21.449 -30.264 1.819
32 H ALA 7 H ALA 7 20.668 -28.514 -1.244
33 HA ALA 7 HA ALA 7 20.788 -27.273 -3.194
34 1HB ALA 7 3HB ALA 7 18.541 -28.731 -3.747
35 2HB ALA 7 2HB ALA 7 17.904 -27.085 -3.727
36 3HB ALA 7 1HB ALA 7 19.233 -27.506 -4.811
37 H LYS 8 H LYS 8 17.927 -26.667 -1.178
38 HA LYS 8 HA LYS 8 17.827 -23.884 -1.561
39 1HB LYS 8 2HB LYS 8 16.292 -23.856 0.222
40 2HB LYS 8 1HB LYS 8 16.036 -25.383 -0.603
41 1HG LYS 8 2HG LYS 8 16.135 -26.217 1.572
42 2HG LYS 8 1HG LYS 8 17.864 -26.155 1.247
43 1HD LYS 8 2HD LYS 8 17.183 -25.137 3.437
44 2HD LYS 8 1HD LYS 8 18.129 -24.086 2.392
45 1HE LYS 8 2HE LYS 8 16.026 -23.126 3.599
46 2HE LYS 8 1HE LYS 8 16.309 -22.705 1.911
47 1HZ LYS 8 1HZ LYS 8 14.653 -25.041 2.631
48 2HZ LYS 8 3HZ LYS 8 13.989 -23.481 2.622
49 3HZ LYS 8 2HZ LYS 8 14.648 -24.131 1.198
50 H ALA 9 H ALA 9 19.672 -25.913 0.596
51 HA ALA 9 HA ALA 9 20.518 -24.107 2.522
52 1HB ALA 9 2HB ALA 9 21.592 -26.606 1.355
53 2HB ALA 9 1HB ALA 9 22.742 -25.593 2.232
54 3HB ALA 9 3HB ALA 9 21.289 -26.181 3.041
55 H ALA 10 H ALA 10 22.639 -25.094 -0.155
56 HA ALA 10 HA ALA 10 24.493 -23.086 -0.017
57 1HB ALA 10 3HB ALA 10 24.320 -25.146 -1.598
58 2HB ALA 10 2HB ALA 10 23.545 -24.010 -2.705
59 3HB ALA 10 1HB ALA 10 25.191 -23.712 -2.143
60 H PHE 11 H PHE 11 21.288 -22.934 -1.438
61 HA PHE 11 HA PHE 11 21.662 -20.389 -2.711
62 1HB PHE 11 2HB PHE 11 19.809 -22.382 -2.910
63 2HB PHE 11 1HB PHE 11 18.929 -21.176 -1.986
64 HD1 PHE 11 HD2 PHE 11 21.042 -21.535 -5.046
65 HD2 PHE 11 HD1 PHE 11 17.848 -19.410 -3.139
66 HE1 PHE 11 HE2 PHE 11 20.612 -20.294 -7.127
67 HE2 PHE 11 HE1 PHE 11 17.433 -18.178 -5.223
68 HZ PHE 11 HZ PHE 11 18.812 -18.617 -7.217
69 H ASN 12 H ASN 12 20.317 -21.499 0.361
70 HA ASN 12 HA ASN 12 19.412 -18.903 1.189
71 1HB ASN 12 2HB ASN 12 18.739 -21.346 1.984
72 2HB ASN 12 1HB ASN 12 20.004 -21.042 3.175
73 1HD2 ASN 12 2HD2 ASN 12 16.546 -19.753 4.186
74 2HD2 ASN 12 1HD2 ASN 12 17.024 -21.214 3.397
75 H SER 13 H SER 13 22.381 -20.694 1.407
76 HA SER 13 HA SER 13 23.549 -19.083 3.492
77 1HB SER 13 2HB SER 13 24.140 -21.535 2.475
78 2HB SER 13 1HB SER 13 25.350 -20.535 1.669
79 HG SER 13 HG SER 13 26.250 -21.101 3.600
80 H LEU 14 H LEU 14 23.394 -19.027 0.014
81 HA LEU 14 HA LEU 14 25.535 -17.197 -0.411
82 1HB LEU 14 2HB LEU 14 24.815 -18.576 -2.233
83 2HB LEU 14 1HB LEU 14 23.161 -17.990 -2.091
84 HG LEU 14 HG LEU 14 23.896 -15.729 -2.731
85 1HD1 LEU 14 2HD1 LEU 14 26.615 -17.026 -2.884
86 2HD1 LEU 14 1HD1 LEU 14 26.229 -15.562 -3.788
87 3HD1 LEU 14 3HD1 LEU 14 26.139 -15.558 -2.026
88 1HD2 LEU 14 3HD2 LEU 14 24.547 -17.978 -4.636
89 2HD2 LEU 14 2HD2 LEU 14 23.089 -16.983 -4.567
90 3HD2 LEU 14 1HD2 LEU 14 24.611 -16.284 -5.123
91 H GLN 15 H GLN 15 22.031 -16.845 -0.045
92 HA GLN 15 HA GLN 15 21.956 -14.043 -0.514
93 1HB GLN 15 2HB GLN 15 19.997 -15.556 -0.694
94 2HB GLN 15 1HB GLN 15 20.013 -15.737 1.057
95 1HG GLN 15 2HG GLN 15 18.401 -14.056 0.609
96 2HG GLN 15 1HG GLN 15 19.833 -13.192 1.172
97 1HE2 GLN 15 2HD2 GLN 15 18.593 -11.479 -1.860
98 2HE2 GLN 15 1HD2 GLN 15 17.986 -11.834 -0.282
99 H ALA 16 H ALA 16 22.399 -16.024 2.360
100 HA ALA 16 HA ALA 16 22.172 -13.864 4.226
101 1HB ALA 16 2HB ALA 16 21.872 -16.372 4.672
102 2HB ALA 16 1HB ALA 16 23.634 -16.440 4.737
103 3HB ALA 16 3HB ALA 16 22.748 -15.430 5.880
104 H SER 17 H SER 17 24.521 -14.583 1.967
105 HA SER 17 HA SER 17 26.609 -13.219 3.551
106 1HB SER 17 2HB SER 17 26.735 -15.513 1.655
107 2HB SER 17 1HB SER 17 28.082 -14.381 1.670
108 HG SER 17 HG SER 17 27.363 -16.282 3.508
109 H ALA 18 H ALA 18 24.921 -11.551 2.488
110 HA ALA 18 HA ALA 18 25.518 -10.833 -0.241
111 1HB ALA 18 3HB ALA 18 23.372 -10.412 1.354
112 2HB ALA 18 2HB ALA 18 24.201 -8.862 1.510
113 3HB ALA 18 1HB ALA 18 23.731 -9.454 -0.084
114 H THR 19 H THR 19 27.878 -10.890 0.681
115 HA THR 19 HA THR 19 28.694 -8.321 1.806
116 HB THR 19 HB THR 19 29.640 -10.552 2.552
117 HG1 THR 19 HG1 THR 19 31.600 -8.725 1.650
118 1HG2 THR 19 1HG2 THR 19 30.315 -10.737 -0.226
119 2HG2 THR 19 3HG2 THR 19 31.807 -10.659 0.710
120 3HG2 THR 19 2HG2 THR 19 30.614 -11.912 1.057
121 H GLU 20 H GLU 20 27.619 -8.670 -0.992
122 HA GLU 20 HA GLU 20 29.875 -8.042 -2.698
123 1HB GLU 20 2HB GLU 20 27.198 -8.975 -3.021
124 2HB GLU 20 1HB GLU 20 27.404 -7.517 -3.978
125 1HG GLU 20 2HG GLU 20 29.041 -10.051 -4.122
126 2HG GLU 20 1HG GLU 20 27.988 -9.386 -5.368
127 H TYR 21 H TYR 21 28.199 -6.305 -0.483
128 HA TYR 21 HA TYR 21 28.116 -3.831 -2.059
129 1HB TYR 21 2HB TYR 21 26.900 -4.675 0.551
130 2HB TYR 21 1HB TYR 21 27.015 -2.978 0.110
131 HD1 TYR 21 HD2 TYR 21 25.809 -6.270 -1.123
132 HD2 TYR 21 HD1 TYR 21 25.309 -2.025 -1.265
133 HE1 TYR 21 HE2 TYR 21 23.770 -6.549 -2.473
134 HE2 TYR 21 HE1 TYR 21 23.271 -2.318 -2.611
135 HH TYR 21 HH TYR 21 22.103 -3.814 -3.889
136 H ILE 22 H ILE 22 29.939 -5.447 0.386
137 HA ILE 22 HA ILE 22 31.198 -3.021 1.383
138 HB ILE 22 HB ILE 22 31.790 -5.945 1.857
139 1HG1 ILE 22 2HG1 ILE 22 29.574 -4.780 2.723
140 2HG1 ILE 22 1HG1 ILE 22 30.478 -5.869 3.780
141 1HG2 ILE 22 3HG2 ILE 22 33.775 -4.423 2.148
142 2HG2 ILE 22 2HG2 ILE 22 32.885 -3.589 3.419
143 3HG2 ILE 22 1HG2 ILE 22 33.314 -5.290 3.614
144 1HD1 ILE 22 2HD1 ILE 22 31.418 -3.114 4.015
145 2HD1 ILE 22 1HD1 ILE 22 29.696 -3.261 4.365
146 3HD1 ILE 22 3HD1 ILE 22 30.864 -4.231 5.262
147 H GLY 23 H GLY 23 31.857 -5.528 -0.971
148 1HA GLY 23 2HA GLY 23 34.553 -5.405 -1.384
149 2HA GLY 23 1HA GLY 23 33.385 -5.599 -2.687
150 H TYR 24 H TYR 24 32.185 -2.944 -2.126
151 HA TYR 24 HA TYR 24 33.862 -1.397 -3.862
152 1HB TYR 24 2HB TYR 24 31.319 -0.791 -2.374
153 2HB TYR 24 1HB TYR 24 32.132 0.396 -3.379
154 HD1 TYR 24 HD1 TYR 24 32.501 -0.140 -5.840
155 HD2 TYR 24 HD2 TYR 24 29.899 -2.448 -3.342
156 HE1 TYR 24 HE1 TYR 24 31.389 -1.062 -7.830
157 HE2 TYR 24 HE2 TYR 24 28.800 -3.358 -5.344
158 HH TYR 24 HH TYR 24 28.754 -2.156 -8.136
159 H ALA 25 H ALA 25 33.545 -1.702 -0.440
160 HA ALA 25 HA ALA 25 34.629 0.874 0.233
161 1HB ALA 25 2HB ALA 25 34.235 -1.644 1.850
162 2HB ALA 25 1HB ALA 25 34.795 -0.110 2.520
163 3HB ALA 25 3HB ALA 25 33.183 -0.228 1.812
164 H TRP 26 H TRP 26 36.027 -1.942 -1.002
165 HA TRP 26 HA TRP 26 38.544 -1.728 0.410
166 1HB TRP 26 2HB TRP 26 37.278 -3.602 -1.421
167 2HB TRP 26 1HB TRP 26 38.961 -3.305 -1.822
168 HD1 TRP 26 1HD TRP 26 36.832 -5.302 0.488
169 HE1 TRP 26 1HE TRP 26 38.271 -6.441 2.248
170 HE3 TRP 26 3HE TRP 26 41.255 -2.855 -0.292
171 HZ2 TRP 26 2HZ TRP 26 40.919 -6.368 3.198
172 HZ3 TRP 26 3HZ TRP 26 43.212 -3.447 1.081
173 HH2 TRP 26 HH2 TRP 26 43.049 -5.186 2.811
174 H ALA 27 H ALA 27 37.286 -0.979 -2.814
175 HA ALA 27 HA ALA 27 39.645 -0.195 -4.061
176 1HB ALA 27 1HB ALA 27 36.950 -0.186 -4.705
177 2HB ALA 27 3HB ALA 27 37.395 1.521 -4.750
178 3HB ALA 27 2HB ALA 27 38.269 0.355 -5.746
179 H MET 28 H MET 28 37.767 1.416 -1.626
180 HA MET 28 HA MET 28 39.065 3.982 -2.019
181 1HB MET 28 2HB MET 28 36.827 2.931 -0.436
182 2HB MET 28 1HB MET 28 37.801 4.113 0.417
183 1HG MET 28 2HG MET 28 36.364 4.482 -2.220
184 2HG MET 28 1HG MET 28 35.999 5.259 -0.688
185 1HE MET 28 1HE MET 28 39.207 5.608 0.148
186 2HE MET 28 3HE MET 28 39.454 7.308 -0.275
187 3HE MET 28 2HE MET 28 37.997 6.814 0.584
188 H VAL 29 H VAL 29 39.293 1.205 0.113
189 HA VAL 29 HA VAL 29 41.113 2.421 1.959
190 HB VAL 29 HB VAL 29 40.457 -0.473 1.414
191 1HG1 VAL 29 2HG1 VAL 29 42.569 0.595 2.892
192 2HG1 VAL 29 1HG1 VAL 29 41.354 0.130 4.085
193 3HG1 VAL 29 3HG1 VAL 29 41.966 -1.062 2.938
194 1HG2 VAL 29 1HG2 VAL 29 38.630 1.182 2.211
195 2HG2 VAL 29 3HG2 VAL 29 38.827 -0.345 3.073
196 3HG2 VAL 29 2HG2 VAL 29 39.494 1.142 3.750
197 H VAL 30 H VAL 30 41.377 0.596 -1.019
198 HA VAL 30 HA VAL 30 44.143 -0.024 -0.825
199 HB VAL 30 HB VAL 30 42.248 0.176 -3.162
200 1HG1 VAL 30 3HG1 VAL 30 45.120 -0.630 -3.009
201 2HG1 VAL 30 2HG1 VAL 30 44.050 -1.371 -4.200
202 3HG1 VAL 30 1HG1 VAL 30 44.301 0.375 -4.202
203 1HG2 VAL 30 1HG2 VAL 30 42.835 -1.870 -1.156
204 2HG2 VAL 30 3HG2 VAL 30 41.443 -1.696 -2.226
205 3HG2 VAL 30 2HG2 VAL 30 42.919 -2.460 -2.817
206 H VAL 31 H VAL 31 42.288 2.604 -2.311
207 HA VAL 31 HA VAL 31 44.450 3.910 -3.552
208 HB VAL 31 HB VAL 31 41.809 4.960 -2.558
209 1HG1 VAL 31 1HG1 VAL 31 44.054 6.241 -3.967
210 2HG1 VAL 31 3HG1 VAL 31 42.450 6.553 -4.632
211 3HG1 VAL 31 2HG1 VAL 31 42.798 6.944 -2.946
212 1HG2 VAL 31 2HG2 VAL 31 42.295 3.108 -4.538
213 2HG2 VAL 31 1HG2 VAL 31 40.857 4.125 -4.413
214 3HG2 VAL 31 3HG2 VAL 31 42.205 4.626 -5.434
215 H ILE 32 H ILE 32 43.408 3.737 -0.293
216 HA ILE 32 HA ILE 32 45.019 6.067 0.488
217 HB ILE 32 HB ILE 32 43.071 4.380 2.055
218 1HG1 ILE 32 2HG1 ILE 32 42.809 7.244 1.137
219 2HG1 ILE 32 1HG1 ILE 32 42.138 5.872 0.257
220 1HG2 ILE 32 3HG2 ILE 32 45.159 5.946 3.035
221 2HG2 ILE 32 2HG2 ILE 32 43.725 6.963 3.188
222 3HG2 ILE 32 1HG2 ILE 32 43.758 5.365 3.938
223 1HD1 ILE 32 3HD1 ILE 32 41.484 6.058 3.150
224 2HD1 ILE 32 2HD1 ILE 32 40.729 7.241 2.079
225 3HD1 ILE 32 1HD1 ILE 32 40.487 5.515 1.798
226 H VAL 33 H VAL 33 44.448 2.768 1.753
227 HA VAL 33 HA VAL 33 46.981 2.706 3.083
228 HB VAL 33 HB VAL 33 44.844 0.639 2.596
229 1HG1 VAL 33 1HG1 VAL 33 47.286 0.500 4.348
230 2HG1 VAL 33 3HG1 VAL 33 45.958 -0.661 4.362
231 3HG1 VAL 33 2HG1 VAL 33 46.954 -0.477 2.917
232 1HG2 VAL 33 2HG2 VAL 33 44.175 2.535 4.007
233 2HG2 VAL 33 1HG2 VAL 33 44.266 1.033 4.931
234 3HG2 VAL 33 3HG2 VAL 33 45.557 2.229 5.062
235 H GLY 34 H GLY 34 45.550 0.992 0.303
236 1HA GLY 34 2HA GLY 34 47.697 -0.635 -0.364
237 2HA GLY 34 1HA GLY 34 46.523 -0.013 -1.523
238 H ALA 35 H ALA 35 46.992 2.656 -1.523
239 HA ALA 35 HA ALA 35 49.081 3.049 -3.274
240 1HB ALA 35 2HB ALA 35 47.845 4.985 -1.313
241 2HB ALA 35 1HB ALA 35 48.942 5.463 -2.611
242 3HB ALA 35 3HB ALA 35 47.384 4.729 -2.998
243 H THR 36 H THR 36 49.161 2.826 0.183
244 HA THR 36 HA THR 36 51.872 3.859 0.411
245 HB THR 36 HB THR 36 49.800 2.832 2.327
246 HG1 THR 36 HG1 THR 36 49.767 4.890 2.951
247 1HG2 THR 36 2HG2 THR 36 52.735 3.047 2.789
248 2HG2 THR 36 1HG2 THR 36 51.637 3.546 4.080
249 3HG2 THR 36 3HG2 THR 36 51.568 1.898 3.450
250 H ILE 37 H ILE 37 50.243 0.732 1.078
251 HA ILE 37 HA ILE 37 52.500 -0.788 1.622
252 HB ILE 37 HB ILE 37 50.037 -1.667 0.125
253 1HG1 ILE 37 2HG1 ILE 37 50.641 -1.595 3.069
254 2HG1 ILE 37 1HG1 ILE 37 49.441 -0.627 2.225
255 1HG2 ILE 37 2HG2 ILE 37 52.111 -3.234 1.653
256 2HG2 ILE 37 1HG2 ILE 37 50.584 -3.898 1.063
257 3HG2 ILE 37 3HG2 ILE 37 51.790 -3.308 -0.082
258 1HD1 ILE 37 3HD1 ILE 37 48.740 -3.186 1.500
259 2HD1 ILE 37 2HD1 ILE 37 49.293 -3.404 3.162
260 3HD1 ILE 37 1HD1 ILE 37 47.994 -2.263 2.806
261 H GLY 38 H GLY 38 51.304 0.432 -1.402
262 1HA GLY 38 2HA GLY 38 52.816 -1.251 -3.144
263 2HA GLY 38 1HA GLY 38 52.070 0.290 -3.566
264 H ILE 39 H ILE 39 53.561 1.503 -1.208
265 HA ILE 39 HA ILE 39 55.999 2.123 -2.704
266 HB ILE 39 HB ILE 39 55.301 3.362 -0.077
267 1HG1 ILE 39 2HG1 ILE 39 53.200 3.569 -1.128
268 2HG1 ILE 39 1HG1 ILE 39 54.010 5.104 -1.342
269 1HG2 ILE 39 1HG2 ILE 39 57.403 3.804 -1.468
270 2HG2 ILE 39 3HG2 ILE 39 56.330 4.694 -2.550
271 3HG2 ILE 39 2HG2 ILE 39 56.496 5.194 -0.866
272 1HD1 ILE 39 1HD1 ILE 39 54.714 4.290 -3.635
273 2HD1 ILE 39 3HD1 ILE 39 53.587 2.949 -3.406
274 3HD1 ILE 39 2HD1 ILE 39 52.994 4.608 -3.424
275 H LYS 40 H LYS 40 55.009 1.050 0.505
276 HA LYS 40 HA LYS 40 57.517 0.667 1.656
277 1HB LYS 40 2HB LYS 40 54.834 0.016 2.289
278 2HB LYS 40 1HB LYS 40 55.778 -1.453 2.423
279 1HG LYS 40 2HG LYS 40 56.097 -0.683 4.522
280 2HG LYS 40 1HG LYS 40 57.457 0.110 3.741
281 1HD LYS 40 2HD LYS 40 54.744 1.325 4.338
282 2HD LYS 40 1HD LYS 40 56.241 1.671 5.187
283 1HE LYS 40 2HE LYS 40 57.112 2.922 3.411
284 2HE LYS 40 1HE LYS 40 56.033 2.181 2.221
285 1HZ LYS 40 1HZ LYS 40 54.309 3.340 3.921
286 2HZ LYS 40 3HZ LYS 40 55.599 4.440 3.947
287 3HZ LYS 40 2HZ LYS 40 54.863 4.032 2.472
288 H LEU 41 H LEU 41 55.575 -1.569 -0.284
289 HA LEU 41 HA LEU 41 57.285 -3.783 -0.194
290 1HB LEU 41 2HB LEU 41 55.210 -2.810 -2.118
291 2HB LEU 41 1HB LEU 41 56.196 -4.203 -2.547
292 HG LEU 41 HG LEU 41 54.518 -3.921 -0.046
293 1HD1 LEU 41 2HD1 LEU 41 54.069 -5.488 -2.584
294 2HD1 LEU 41 1HD1 LEU 41 53.150 -5.732 -1.097
295 3HD1 LEU 41 3HD1 LEU 41 53.075 -4.181 -1.937
296 1HD2 LEU 41 3HD2 LEU 41 56.653 -5.757 -0.729
297 2HD2 LEU 41 2HD2 LEU 41 55.782 -5.562 0.792
298 3HD2 LEU 41 1HD2 LEU 41 55.133 -6.613 -0.469
299 H PHE 42 H PHE 42 57.441 -0.829 -2.037
300 HA PHE 42 HA PHE 42 59.373 -1.742 -3.947
301 1HB PHE 42 2HB PHE 42 57.724 0.269 -4.065
302 2HB PHE 42 1HB PHE 42 58.991 1.132 -3.204
303 HD1 PHE 42 HD1 PHE 42 58.515 -1.064 -6.186
304 HD2 PHE 42 HD2 PHE 42 60.633 2.198 -4.427
305 HE1 PHE 42 HE1 PHE 42 59.688 -0.676 -8.320
306 HE2 PHE 42 HE2 PHE 42 61.807 2.585 -6.560
307 HZ PHE 42 HZ PHE 42 61.334 1.148 -8.506
308 H LYS 43 H LYS 43 59.556 0.402 -1.110
309 HA LYS 43 HA LYS 43 62.321 0.815 -1.125
310 1HB LYS 43 2HB LYS 43 60.266 0.864 1.061
311 2HB LYS 43 1HB LYS 43 61.945 1.343 1.314
312 1HG LYS 43 2HG LYS 43 60.857 2.546 -1.089
313 2HG LYS 43 1HG LYS 43 59.860 2.916 0.304
314 1HD LYS 43 2HD LYS 43 61.723 3.880 1.501
315 2HD LYS 43 1HD LYS 43 62.859 3.321 0.278
316 1HE LYS 43 2HE LYS 43 61.205 5.738 0.343
317 2HE LYS 43 1HE LYS 43 62.688 5.404 -0.548
318 1HZ LYS 43 2HZ LYS 43 61.365 4.166 -2.171
319 2HZ LYS 43 1HZ LYS 43 59.946 4.565 -1.328
320 3HZ LYS 43 3HZ LYS 43 60.870 5.787 -2.056
321 H LYS 44 H LYS 44 60.450 -1.918 -0.075
322 HA LYS 44 HA LYS 44 62.524 -3.019 1.599
323 1HB LYS 44 2HB LYS 44 59.906 -3.352 1.671
324 2HB LYS 44 1HB LYS 44 60.228 -4.618 0.508
325 1HG LYS 44 2HG LYS 44 61.433 -5.924 2.050
326 2HG LYS 44 1HG LYS 44 61.689 -4.558 3.141
327 1HD LYS 44 2HD LYS 44 59.444 -4.566 3.863
328 2HD LYS 44 1HD LYS 44 58.924 -5.589 2.526
329 1HE LYS 44 2HE LYS 44 59.508 -6.441 5.111
330 2HE LYS 44 1HE LYS 44 59.427 -7.498 3.705
331 1HZ LYS 44 2HZ LYS 44 61.887 -6.131 4.661
332 2HZ LYS 44 1HZ LYS 44 61.478 -7.745 5.001
333 3HZ LYS 44 3HZ LYS 44 61.782 -7.267 3.403
334 H PHE 45 H PHE 45 61.323 -3.482 -1.682
335 HA PHE 45 HA PHE 45 63.162 -5.670 -2.238
336 1HB PHE 45 2HB PHE 45 60.931 -4.308 -3.653
337 2HB PHE 45 1HB PHE 45 62.164 -5.074 -4.628
338 HD1 PHE 45 HD2 PHE 45 62.701 -7.559 -4.192
339 HD2 PHE 45 HD1 PHE 45 59.173 -5.624 -2.693
340 HE1 PHE 45 HE2 PHE 45 61.622 -9.741 -3.864
341 HE2 PHE 45 HE1 PHE 45 58.120 -7.814 -2.377
342 HZ PHE 45 HZ PHE 45 59.337 -9.872 -2.961
343 H THR 46 H THR 46 62.783 -2.255 -3.020
344 HA THR 46 HA THR 46 65.079 -2.258 -4.774
345 HB THR 46 HB THR 46 64.550 0.062 -5.101
346 HG1 THR 46 HG1 THR 46 63.022 1.098 -3.859
347 1HG2 THR 46 3HG2 THR 46 62.877 -2.047 -5.728
348 2HG2 THR 46 2HG2 THR 46 61.785 -0.830 -5.060
349 3HG2 THR 46 1HG2 THR 46 62.820 -0.430 -6.433
350 H SER 47 H SER 47 64.232 -0.889 -1.613
351 HA SER 47 HA SER 47 67.015 -0.042 -1.240
352 1HB SER 47 2HB SER 47 64.974 0.438 0.857
353 2HB SER 47 1HB SER 47 66.266 1.481 0.279
354 HG SER 47 HG SER 47 64.935 2.287 -1.175
355 H LYS 48 H LYS 48 66.445 -2.859 -1.232
356 HA LYS 48 HA LYS 48 66.078 -4.095 1.179
357 1HB LYS 48 2HB LYS 48 67.583 -4.709 -1.277
358 2HB LYS 48 1HB LYS 48 68.123 -5.576 0.157
359 1HG LYS 48 2HG LYS 48 65.785 -6.373 0.504
360 2HG LYS 48 1HG LYS 48 65.322 -5.551 -0.988
361 1HD LYS 48 2HD LYS 48 67.498 -7.626 -0.871
362 2HD LYS 48 1HD LYS 48 65.812 -8.035 -1.167
363 1HE LYS 48 2HE LYS 48 65.826 -7.151 -3.272
364 2HE LYS 48 1HE LYS 48 66.965 -5.877 -2.844
365 1HZ LYS 48 2HZ LYS 48 67.912 -8.648 -2.871
366 2HZ LYS 48 1HZ LYS 48 67.666 -7.867 -4.360
367 3HZ LYS 48 3HZ LYS 48 68.748 -7.213 -3.228
368 H ALA 49 H ALA 49 69.299 -3.319 -0.127
369 HA ALA 49 HA ALA 49 70.374 -1.945 1.925
370 1HB ALA 49 3HB ALA 49 70.113 -4.795 2.596
371 2HB ALA 49 2HB ALA 49 71.715 -4.109 2.878
372 3HB ALA 49 1HB ALA 49 70.300 -3.400 3.659
373 H SER 50 H SER 50 70.817 -1.778 -0.645
374 HA SER 50 HA SER 50 72.479 -1.586 -2.212
375 1HB SER 50 2HB SER 50 74.657 -1.429 -1.478
376 2HB SER 50 1HB SER 50 73.787 -1.195 0.034
377 HG SER 50 HG SER 50 75.511 -3.160 -0.661
No H/Q in entry = 377
Start of MODEL 12
1 1H ALA 1 1H ALA 1 -5.797 -11.009 -2.232
2 2H ALA 1 3H ALA 1 -6.889 -9.838 -1.671
3 3H ALA 1 2H ALA 1 -7.128 -10.564 -3.189
4 HA ALA 1 HA ALA 1 -5.710 -9.231 -4.230
5 1HB ALA 1 1HB ALA 1 -7.119 -7.646 -2.924
6 2HB ALA 1 3HB ALA 1 -5.914 -7.669 -1.635
7 3HB ALA 1 2HB ALA 1 -5.499 -7.003 -3.216
8 H GLU 2 H GLU 2 -4.205 -11.252 -3.358
9 HA GLU 2 HA GLU 2 -2.036 -11.884 -2.968
10 1HB GLU 2 2HB GLU 2 -1.366 -8.947 -3.146
11 2HB GLU 2 1HB GLU 2 -0.295 -10.315 -3.442
12 1HG GLU 2 2HG GLU 2 -2.782 -9.844 -5.080
13 2HG GLU 2 1HG GLU 2 -1.227 -9.123 -5.500
14 H GLY 3 H GLY 3 -0.039 -11.188 -1.483
15 1HA GLY 3 2HA GLY 3 -0.887 -11.426 1.176
16 2HA GLY 3 1HA GLY 3 0.746 -11.003 0.662
17 H ASP 4 H ASP 4 -0.819 -9.959 2.915
18 HA ASP 4 HA ASP 4 -0.578 -7.103 2.270
19 1HB ASP 4 2HB ASP 4 -3.039 -8.199 2.347
20 2HB ASP 4 1HB ASP 4 -2.822 -7.831 4.058
21 H ASP 5 H ASP 5 1.443 -8.150 3.476
22 HA ASP 5 HA ASP 5 1.622 -6.908 5.978
23 1HB ASP 5 2HB ASP 5 0.153 -9.039 6.414
24 2HB ASP 5 1HB ASP 5 1.707 -9.872 6.360
25 HA PRO 6 HA PRO 6 5.650 -7.937 4.130
26 1HB PRO 6 2HB PRO 6 6.759 -5.498 4.494
27 2HB PRO 6 1HB PRO 6 5.730 -5.903 3.113
28 1HG PRO 6 2HG PRO 6 5.132 -4.257 5.480
29 2HG PRO 6 1HG PRO 6 4.424 -4.205 3.859
30 1HD PRO 6 2HD PRO 6 3.289 -5.376 6.167
31 2HD PRO 6 1HD PRO 6 2.696 -5.505 4.501
32 H ALA 7 H ALA 7 4.787 -6.561 7.207
33 HA ALA 7 HA ALA 7 5.740 -6.663 9.291
34 1HB ALA 7 2HB ALA 7 5.636 -9.105 8.728
35 2HB ALA 7 1HB ALA 7 7.304 -8.988 8.159
36 3HB ALA 7 3HB ALA 7 6.924 -8.677 9.855
37 H LYS 8 H LYS 8 7.040 -5.133 7.087
38 HA LYS 8 HA LYS 8 8.970 -4.111 6.497
39 1HB LYS 8 2HB LYS 8 10.019 -3.240 8.718
40 2HB LYS 8 1HB LYS 8 8.577 -2.586 8.008
41 1HG LYS 8 2HG LYS 8 7.178 -3.847 9.539
42 2HG LYS 8 1HG LYS 8 8.579 -4.726 10.144
43 1HD LYS 8 2HD LYS 8 7.639 -2.759 11.564
44 2HD LYS 8 1HD LYS 8 9.378 -2.925 11.378
45 1HE LYS 8 2HE LYS 8 8.406 -0.572 11.118
46 2HE LYS 8 1HE LYS 8 9.502 -1.115 9.849
47 1HZ LYS 8 3HZ LYS 8 6.865 -1.864 9.192
48 2HZ LYS 8 2HZ LYS 8 6.882 -0.214 9.590
49 3HZ LYS 8 1HZ LYS 8 7.903 -0.806 8.370
50 H ALA 9 H ALA 9 10.048 -5.951 5.737
51 HA ALA 9 HA ALA 9 12.001 -7.261 7.473
52 1HB ALA 9 1HB ALA 9 10.500 -8.258 5.469
53 2HB ALA 9 3HB ALA 9 11.960 -7.838 4.570
54 3HB ALA 9 2HB ALA 9 12.057 -8.943 5.943
55 H ALA 10 H ALA 10 11.884 -5.248 4.560
56 HA ALA 10 HA ALA 10 14.752 -5.012 4.370
57 1HB ALA 10 1HB ALA 10 12.399 -4.072 2.857
58 2HB ALA 10 3HB ALA 10 13.797 -2.995 2.823
59 3HB ALA 10 2HB ALA 10 13.957 -4.666 2.276
60 H PHE 11 H PHE 11 12.176 -3.331 5.960
61 HA PHE 11 HA PHE 11 13.620 -0.871 6.379
62 1HB PHE 11 2HB PHE 11 10.959 -1.847 6.817
63 2HB PHE 11 1HB PHE 11 11.570 -1.155 8.308
64 HD1 PHE 11 HD2 PHE 11 12.532 1.216 8.246
65 HD2 PHE 11 HD1 PHE 11 10.216 -0.442 5.041
66 HE1 PHE 11 HE2 PHE 11 12.075 3.476 7.392
67 HE2 PHE 11 HE1 PHE 11 9.773 1.824 4.202
68 HZ PHE 11 HZ PHE 11 10.698 3.782 5.373
69 H ASN 12 H ASN 12 12.542 -3.484 8.565
70 HA ASN 12 HA ASN 12 13.902 -2.662 10.851
71 1HB ASN 12 2HB ASN 12 12.196 -4.548 10.601
72 2HB ASN 12 1HB ASN 12 13.552 -5.557 10.092
73 1HD2 ASN 12 2HD2 ASN 12 13.822 -6.334 13.513
74 2HD2 ASN 12 1HD2 ASN 12 13.298 -6.865 11.954
75 H SER 13 H SER 13 15.000 -4.800 8.232
76 HA SER 13 HA SER 13 17.541 -5.401 9.299
77 1HB SER 13 2HB SER 13 16.222 -6.306 7.162
78 2HB SER 13 1HB SER 13 17.245 -5.116 6.353
79 HG SER 13 HG SER 13 18.868 -6.428 6.597
80 H LEU 14 H LEU 14 16.293 -2.623 7.627
81 HA LEU 14 HA LEU 14 18.716 -1.470 6.785
82 1HB LEU 14 2HB LEU 14 16.298 -0.835 6.184
83 2HB LEU 14 1HB LEU 14 16.288 0.089 7.674
84 HG LEU 14 HG LEU 14 16.818 1.630 6.002
85 1HD1 LEU 14 2HD1 LEU 14 18.382 1.593 8.035
86 2HD1 LEU 14 1HD1 LEU 14 19.591 0.930 6.935
87 3HD1 LEU 14 3HD1 LEU 14 18.899 2.522 6.628
88 1HD2 LEU 14 1HD2 LEU 14 17.377 -0.075 4.244
89 2HD2 LEU 14 3HD2 LEU 14 18.422 1.347 4.238
90 3HD2 LEU 14 2HD2 LEU 14 19.000 -0.167 4.932
91 H GLN 15 H GLN 15 16.857 -1.186 9.777
92 HA GLN 15 HA GLN 15 18.530 0.724 11.042
93 1HB GLN 15 2HB GLN 15 16.275 0.383 11.819
94 2HB GLN 15 1HB GLN 15 16.592 -1.314 12.147
95 1HG GLN 15 2HG GLN 15 18.346 -0.529 13.811
96 2HG GLN 15 1HG GLN 15 17.672 1.088 13.615
97 1HE2 GLN 15 2HD2 GLN 15 15.696 0.120 16.381
98 2HE2 GLN 15 1HD2 GLN 15 17.123 0.957 15.882
99 H ALA 16 H ALA 16 18.461 -2.797 10.985
100 HA ALA 16 HA ALA 16 20.744 -2.981 12.794
101 1HB ALA 16 2HB ALA 16 18.619 -4.734 11.904
102 2HB ALA 16 1HB ALA 16 20.196 -5.516 11.778
103 3HB ALA 16 3HB ALA 16 19.657 -4.861 13.325
104 H SER 17 H SER 17 20.731 -1.949 9.850
105 HA SER 17 HA SER 17 23.176 -3.391 9.096
106 1HB SER 17 2HB SER 17 20.866 -2.835 7.231
107 2HB SER 17 1HB SER 17 22.444 -3.435 6.737
108 HG SER 17 HG SER 17 20.540 -4.709 8.429
109 H ALA 18 H ALA 18 23.656 -1.190 10.248
110 HA ALA 18 HA ALA 18 23.456 1.122 8.497
111 1HB ALA 18 2HB ALA 18 23.834 0.667 11.293
112 2HB ALA 18 1HB ALA 18 25.172 1.646 10.687
113 3HB ALA 18 3HB ALA 18 23.508 2.186 10.454
114 H THR 19 H THR 19 25.477 -1.500 8.588
115 HA THR 19 HA THR 19 27.912 -0.003 7.941
116 HB THR 19 HB THR 19 27.925 -1.998 9.498
117 HG1 THR 19 HG1 THR 19 29.841 -1.300 8.619
118 1HG2 THR 19 3HG2 THR 19 26.756 -3.277 7.189
119 2HG2 THR 19 2HG2 THR 19 28.289 -4.047 7.593
120 3HG2 THR 19 1HG2 THR 19 27.015 -3.931 8.808
121 H GLU 20 H GLU 20 25.534 -0.064 6.195
122 HA GLU 20 HA GLU 20 26.332 -1.645 3.905
123 1HB GLU 20 2HB GLU 20 23.917 -0.949 4.805
124 2HB GLU 20 1HB GLU 20 24.193 0.409 3.723
125 1HG GLU 20 2HG GLU 20 24.748 -1.329 1.927
126 2HG GLU 20 1HG GLU 20 24.052 -2.523 3.027
127 H TYR 21 H TYR 21 26.839 1.481 5.114
128 HA TYR 21 HA TYR 21 27.476 2.654 2.522
129 1HB TYR 21 2HB TYR 21 27.261 3.685 5.319
130 2HB TYR 21 1HB TYR 21 28.160 4.604 4.120
131 HD1 TYR 21 HD2 TYR 21 26.997 5.438 2.075
132 HD2 TYR 21 HD1 TYR 21 24.877 3.601 5.299
133 HE1 TYR 21 HE2 TYR 21 24.884 6.381 1.231
134 HE2 TYR 21 HE1 TYR 21 22.771 4.548 4.447
135 HH TYR 21 HH TYR 21 21.830 5.387 2.383
136 H ILE 22 H ILE 22 29.061 1.086 5.154
137 HA ILE 22 HA ILE 22 31.679 2.166 4.484
138 HB ILE 22 HB ILE 22 30.743 0.130 6.501
139 1HG1 ILE 22 2HG1 ILE 22 30.217 2.646 6.795
140 2HG1 ILE 22 1HG1 ILE 22 30.965 1.806 8.162
141 1HG2 ILE 22 2HG2 ILE 22 33.025 -0.441 5.835
142 2HG2 ILE 22 1HG2 ILE 22 33.546 1.221 6.120
143 3HG2 ILE 22 3HG2 ILE 22 33.020 0.218 7.473
144 1HD1 ILE 22 3HD1 ILE 22 33.109 2.807 6.619
145 2HD1 ILE 22 2HD1 ILE 22 31.915 4.103 6.702
146 3HD1 ILE 22 1HD1 ILE 22 32.539 3.382 8.184
147 H GLY 23 H GLY 23 29.734 -0.371 3.360
148 1HA GLY 23 2HA GLY 23 31.720 -2.347 2.842
149 2HA GLY 23 1HA GLY 23 30.131 -2.241 2.083
150 H TYR 24 H TYR 24 30.292 0.255 0.894
151 HA TYR 24 HA TYR 24 31.800 -0.331 -1.459
152 1HB TYR 24 2HB TYR 24 30.538 2.300 -0.712
153 2HB TYR 24 1HB TYR 24 30.923 1.719 -2.323
154 HD1 TYR 24 HD1 TYR 24 29.728 -0.411 -3.136
155 HD2 TYR 24 HD2 TYR 24 28.388 1.886 0.218
156 HE1 TYR 24 HE1 TYR 24 27.493 -1.423 -3.322
157 HE2 TYR 24 HE2 TYR 24 26.162 0.866 0.016
158 HH TYR 24 HH TYR 24 25.000 -0.552 -2.545
159 H ALA 25 H ALA 25 32.424 1.432 1.452
160 HA ALA 25 HA ALA 25 34.477 3.153 0.519
161 1HB ALA 25 3HB ALA 25 33.307 3.425 2.691
162 2HB ALA 25 2HB ALA 25 34.121 1.974 3.280
163 3HB ALA 25 1HB ALA 25 35.062 3.408 2.863
164 H TRP 26 H TRP 26 34.388 -0.200 1.478
165 HA TRP 26 HA TRP 26 37.090 -0.692 1.975
166 1HB TRP 26 2HB TRP 26 34.716 -2.249 1.456
167 2HB TRP 26 1HB TRP 26 36.095 -2.941 0.625
168 HD1 TRP 26 1HD TRP 26 34.406 -3.162 3.841
169 HE1 TRP 26 1HE TRP 26 35.956 -4.105 5.637
170 HE3 TRP 26 3HE TRP 26 38.918 -2.702 1.461
171 HZ2 TRP 26 2HZ TRP 26 38.686 -4.608 6.035
172 HZ3 TRP 26 3HZ TRP 26 40.965 -3.441 2.612
173 HH2 TRP 26 HH2 TRP 26 40.854 -4.385 4.879
174 H ALA 27 H ALA 27 35.392 -0.125 -1.000
175 HA ALA 27 HA ALA 27 37.386 -1.191 -2.757
176 1HB ALA 27 2HB ALA 27 34.788 -0.319 -3.045
177 2HB ALA 27 1HB ALA 27 35.718 0.950 -3.845
178 3HB ALA 27 3HB ALA 27 35.884 -0.726 -4.367
179 H MET 28 H MET 28 36.564 2.067 -1.618
180 HA MET 28 HA MET 28 38.649 3.367 -3.059
181 1HB MET 28 2HB MET 28 36.554 4.113 -1.152
182 2HB MET 28 1HB MET 28 38.036 5.025 -0.931
183 1HG MET 28 2HG MET 28 36.251 5.983 -2.531
184 2HG MET 28 1HG MET 28 37.917 5.981 -3.079
185 1HE MET 28 2HE MET 28 34.850 6.061 -4.218
186 2HE MET 28 1HE MET 28 35.859 6.248 -5.650
187 3HE MET 28 3HE MET 28 34.647 4.962 -5.581
188 H VAL 29 H VAL 29 38.320 2.097 0.212
189 HA VAL 29 HA VAL 29 40.641 3.143 1.354
190 HB VAL 29 HB VAL 29 39.263 0.507 1.844
191 1HG1 VAL 29 1HG1 VAL 29 41.248 2.018 3.538
192 2HG1 VAL 29 3HG1 VAL 29 40.335 0.603 4.062
193 3HG1 VAL 29 2HG1 VAL 29 41.507 0.461 2.751
194 1HG2 VAL 29 3HG2 VAL 29 38.506 3.212 2.377
195 2HG2 VAL 29 2HG2 VAL 29 37.637 1.723 2.755
196 3HG2 VAL 29 1HG2 VAL 29 38.800 2.382 3.907
197 H VAL 30 H VAL 30 40.145 0.342 -0.722
198 HA VAL 30 HA VAL 30 42.693 -0.828 -0.413
199 HB VAL 30 HB VAL 30 40.727 -0.924 -2.698
200 1HG1 VAL 30 3HG1 VAL 30 43.362 -2.110 -2.322
201 2HG1 VAL 30 2HG1 VAL 30 42.103 -3.289 -2.699
202 3HG1 VAL 30 1HG1 VAL 30 42.397 -1.929 -3.785
203 1HG2 VAL 30 3HG2 VAL 30 40.429 -1.844 -0.116
204 2HG2 VAL 30 2HG2 VAL 30 39.542 -2.423 -1.529
205 3HG2 VAL 30 1HG2 VAL 30 40.995 -3.269 -0.988
206 H VAL 31 H VAL 31 41.422 1.683 -2.534
207 HA VAL 31 HA VAL 31 43.718 1.846 -4.211
208 HB VAL 31 HB VAL 31 41.489 3.802 -3.694
209 1HG1 VAL 31 2HG1 VAL 31 43.878 3.921 -5.364
210 2HG1 VAL 31 1HG1 VAL 31 42.380 4.236 -6.240
211 3HG1 VAL 31 3HG1 VAL 31 42.798 5.209 -4.830
212 1HG2 VAL 31 1HG2 VAL 31 40.777 1.583 -4.554
213 2HG2 VAL 31 3HG2 VAL 31 40.469 2.895 -5.693
214 3HG2 VAL 31 2HG2 VAL 31 41.841 1.814 -5.944
215 H ILE 32 H ILE 32 42.938 3.026 -1.100
216 HA ILE 32 HA ILE 32 44.969 5.130 -1.178
217 HB ILE 32 HB ILE 32 43.078 4.277 1.011
218 1HG1 ILE 32 2HG1 ILE 32 42.991 6.649 -0.861
219 2HG1 ILE 32 1HG1 ILE 32 41.943 5.235 -0.943
220 1HG2 ILE 32 2HG2 ILE 32 45.254 6.292 0.877
221 2HG2 ILE 32 1HG2 ILE 32 43.767 6.754 1.710
222 3HG2 ILE 32 3HG2 ILE 32 44.674 5.337 2.244
223 1HD1 ILE 32 1HD1 ILE 32 42.055 6.664 1.659
224 2HD1 ILE 32 3HD1 ILE 32 41.232 7.485 0.332
225 3HD1 ILE 32 2HD1 ILE 32 40.690 5.889 0.853
226 H VAL 33 H VAL 33 44.213 2.162 0.635
227 HA VAL 33 HA VAL 33 46.590 2.129 2.161
228 HB VAL 33 HB VAL 33 44.623 -0.019 1.392
229 1HG1 VAL 33 3HG1 VAL 33 47.145 -0.154 2.826
230 2HG1 VAL 33 2HG1 VAL 33 45.782 -0.779 3.758
231 3HG1 VAL 33 1HG1 VAL 33 46.143 -1.445 2.164
232 1HG2 VAL 33 3HG2 VAL 33 43.721 1.876 2.706
233 2HG2 VAL 33 2HG2 VAL 33 43.677 0.347 3.587
234 3HG2 VAL 33 1HG2 VAL 33 44.920 1.544 3.959
235 H GLY 34 H GLY 34 45.784 1.121 -1.060
236 1HA GLY 34 2HA GLY 34 47.869 -0.762 -1.471
237 2HA GLY 34 1HA GLY 34 46.979 0.089 -2.734
238 H ALA 35 H ALA 35 47.588 2.670 -2.424
239 HA ALA 35 HA ALA 35 50.027 3.071 -3.624
240 1HB ALA 35 1HB ALA 35 48.032 4.711 -3.011
241 2HB ALA 35 3HB ALA 35 49.111 5.139 -1.682
242 3HB ALA 35 2HB ALA 35 49.653 5.322 -3.351
243 H THR 36 H THR 36 49.321 2.593 -0.261
244 HA THR 36 HA THR 36 51.857 3.452 0.764
245 HB THR 36 HB THR 36 49.567 1.845 1.881
246 HG1 THR 36 HG1 THR 36 49.178 4.035 1.711
247 1HG2 THR 36 2HG2 THR 36 52.219 2.480 3.137
248 2HG2 THR 36 1HG2 THR 36 50.765 2.269 4.116
249 3HG2 THR 36 3HG2 THR 36 51.345 0.946 3.102
250 H ILE 37 H ILE 37 50.382 0.255 0.155
251 HA ILE 37 HA ILE 37 52.480 -1.372 0.933
252 HB ILE 37 HB ILE 37 50.654 -1.776 -1.431
253 1HG1 ILE 37 2HG1 ILE 37 49.305 -1.301 0.488
254 2HG1 ILE 37 1HG1 ILE 37 49.262 -3.036 0.220
255 1HG2 ILE 37 3HG2 ILE 37 52.634 -3.309 -1.237
256 2HG2 ILE 37 2HG2 ILE 37 51.976 -3.854 0.308
257 3HG2 ILE 37 1HG2 ILE 37 51.063 -4.112 -1.181
258 1HD1 ILE 37 1HD1 ILE 37 51.419 -2.753 1.910
259 2HD1 ILE 37 3HD1 ILE 37 50.295 -1.530 2.504
260 3HD1 ILE 37 2HD1 ILE 37 49.789 -3.218 2.402
261 H GLY 38 H GLY 38 52.026 0.427 -2.051
262 1HA GLY 38 2HA GLY 38 54.013 -0.654 -3.665
263 2HA GLY 38 1HA GLY 38 53.497 1.034 -3.706
264 H ILE 39 H ILE 39 54.367 2.384 -1.896
265 HA ILE 39 HA ILE 39 57.097 2.668 -2.065
266 HB ILE 39 HB ILE 39 55.268 3.430 0.212
267 1HG1 ILE 39 2HG1 ILE 39 56.188 5.504 -1.637
268 2HG1 ILE 39 1HG1 ILE 39 55.202 4.270 -2.411
269 1HG2 ILE 39 3HG2 ILE 39 58.124 3.764 -0.191
270 2HG2 ILE 39 2HG2 ILE 39 57.287 5.299 0.049
271 3HG2 ILE 39 1HG2 ILE 39 57.146 4.020 1.255
272 1HD1 ILE 39 3HD1 ILE 39 54.124 5.142 0.160
273 2HD1 ILE 39 2HD1 ILE 39 54.239 6.444 -1.026
274 3HD1 ILE 39 1HD1 ILE 39 53.324 4.983 -1.406
275 H LYS 40 H LYS 40 55.262 0.891 0.419
276 HA LYS 40 HA LYS 40 57.342 0.186 2.111
277 1HB LYS 40 2HB LYS 40 54.654 -0.469 1.859
278 2HB LYS 40 1HB LYS 40 55.503 -1.988 1.678
279 1HG LYS 40 2HG LYS 40 55.350 -2.018 3.925
280 2HG LYS 40 1HG LYS 40 56.846 -1.103 3.794
281 1HD LYS 40 2HD LYS 40 54.059 0.037 4.139
282 2HD LYS 40 1HD LYS 40 55.282 -0.069 5.392
283 1HE LYS 40 2HE LYS 40 56.577 1.643 4.455
284 2HE LYS 40 1HE LYS 40 55.834 1.470 2.857
285 1HZ LYS 40 3HZ LYS 40 53.723 2.113 4.340
286 2HZ LYS 40 2HZ LYS 40 54.941 2.959 5.168
287 3HZ LYS 40 1HZ LYS 40 54.680 3.244 3.514
288 H LEU 41 H LEU 41 56.141 -1.573 -0.727
289 HA LEU 41 HA LEU 41 57.944 -3.708 -0.662
290 1HB LEU 41 2HB LEU 41 56.346 -2.372 -2.806
291 2HB LEU 41 1HB LEU 41 57.532 -3.589 -3.258
292 HG LEU 41 HG LEU 41 55.452 -4.083 -1.138
293 1HD1 LEU 41 2HD1 LEU 41 55.215 -4.454 -4.117
294 2HD1 LEU 41 1HD1 LEU 41 54.196 -5.313 -2.958
295 3HD1 LEU 41 3HD1 LEU 41 54.145 -3.550 -3.041
296 1HD2 LEU 41 3HD2 LEU 41 57.499 -5.578 -1.376
297 2HD2 LEU 41 2HD2 LEU 41 55.928 -6.378 -1.427
298 3HD2 LEU 41 1HD2 LEU 41 56.818 -6.090 -2.923
299 H PHE 42 H PHE 42 58.354 -0.415 -1.674
300 HA PHE 42 HA PHE 42 60.725 -0.789 -3.228
301 1HB PHE 42 2HB PHE 42 59.056 1.188 -3.200
302 2HB PHE 42 1HB PHE 42 60.002 1.764 -1.834
303 HD1 PHE 42 HD1 PHE 42 62.681 1.582 -2.330
304 HD2 PHE 42 HD2 PHE 42 59.590 2.069 -5.241
305 HE1 PHE 42 HE1 PHE 42 64.304 2.583 -3.893
306 HE2 PHE 42 HE2 PHE 42 61.217 3.062 -6.802
307 HZ PHE 42 HZ PHE 42 63.574 3.321 -6.127
308 H LYS 43 H LYS 43 60.100 0.170 0.135
309 HA LYS 43 HA LYS 43 62.736 0.765 0.854
310 1HB LYS 43 2HB LYS 43 60.386 -0.218 2.444
311 2HB LYS 43 1HB LYS 43 61.935 0.142 3.202
312 1HG LYS 43 2HG LYS 43 60.690 2.187 1.395
313 2HG LYS 43 1HG LYS 43 60.042 1.993 3.012
314 1HD LYS 43 2HD LYS 43 61.765 3.064 3.972
315 2HD LYS 43 1HD LYS 43 62.963 2.205 3.017
316 1HE LYS 43 2HE LYS 43 62.605 4.813 2.759
317 2HE LYS 43 1HE LYS 43 63.001 3.811 1.367
318 1HZ LYS 43 1HZ LYS 43 60.178 4.210 2.060
319 2HZ LYS 43 3HZ LYS 43 61.013 5.481 1.308
320 3HZ LYS 43 2HZ LYS 43 60.896 3.971 0.540
321 H LYS 44 H LYS 44 61.301 -2.262 0.127
322 HA LYS 44 HA LYS 44 63.270 -3.774 1.656
323 1HB LYS 44 2HB LYS 44 60.942 -4.564 1.557
324 2HB LYS 44 1HB LYS 44 61.063 -4.731 -0.182
325 1HG LYS 44 2HG LYS 44 63.253 -6.135 0.988
326 2HG LYS 44 1HG LYS 44 61.776 -6.619 1.827
327 1HD LYS 44 2HD LYS 44 60.786 -6.816 -0.588
328 2HD LYS 44 1HD LYS 44 62.473 -6.896 -1.083
329 1HE LYS 44 2HE LYS 44 60.999 -9.097 -0.400
330 2HE LYS 44 1HE LYS 44 62.754 -9.014 -0.306
331 1HZ LYS 44 3HZ LYS 44 60.915 -8.368 1.934
332 2HZ LYS 44 2HZ LYS 44 61.700 -9.860 1.724
333 3HZ LYS 44 1HZ LYS 44 62.607 -8.451 2.004
334 H PHE 45 H PHE 45 62.259 -3.551 -1.771
335 HA PHE 45 HA PHE 45 64.683 -4.873 -2.639
336 1HB PHE 45 2HB PHE 45 62.195 -3.899 -3.935
337 2HB PHE 45 1HB PHE 45 63.641 -3.974 -4.916
338 HD1 PHE 45 HD2 PHE 45 64.982 -6.178 -4.941
339 HD2 PHE 45 HD1 PHE 45 60.918 -5.890 -3.589
340 HE1 PHE 45 HE2 PHE 45 64.685 -8.597 -5.268
341 HE2 PHE 45 HE1 PHE 45 60.646 -8.307 -3.925
342 HZ PHE 45 HZ PHE 45 62.523 -9.662 -4.763
343 H THR 46 H THR 46 63.322 -1.600 -2.889
344 HA THR 46 HA THR 46 64.280 0.351 -3.678
345 HB THR 46 HB THR 46 64.949 0.511 -1.450
346 HG1 THR 46 HG1 THR 46 67.145 1.306 -1.613
347 1HG2 THR 46 2HG2 THR 46 67.045 -1.579 -2.049
348 2HG2 THR 46 1HG2 THR 46 66.882 -0.722 -0.513
349 3HG2 THR 46 3HG2 THR 46 65.591 -1.790 -1.072
350 H SER 47 H SER 47 64.669 -1.581 -5.594
351 HA SER 47 HA SER 47 65.972 -2.192 -7.385
352 1HB SER 47 2HB SER 47 67.552 -0.264 -8.107
353 2HB SER 47 1HB SER 47 65.813 0.000 -8.135
354 HG SER 47 HG SER 47 67.603 0.749 -6.042
355 H LYS 48 H LYS 48 66.917 -3.728 -5.655
356 HA LYS 48 HA LYS 48 69.333 -3.409 -4.396
357 1HB LYS 48 2HB LYS 48 68.000 -5.787 -5.645
358 2HB LYS 48 1HB LYS 48 69.607 -5.944 -4.943
359 1HG LYS 48 2HG LYS 48 67.459 -4.647 -3.314
360 2HG LYS 48 1HG LYS 48 67.438 -6.396 -3.506
361 1HD LYS 48 2HD LYS 48 69.979 -6.197 -2.854
362 2HD LYS 48 1HD LYS 48 69.467 -4.668 -2.146
363 1HE LYS 48 2HE LYS 48 69.308 -6.280 -0.412
364 2HE LYS 48 1HE LYS 48 67.657 -5.972 -0.941
365 1HZ LYS 48 1HZ LYS 48 69.099 -8.137 -2.259
366 2HZ LYS 48 3HZ LYS 48 68.626 -8.398 -0.651
367 3HZ LYS 48 2HZ LYS 48 67.459 -8.025 -1.828
368 H ALA 49 H ALA 49 68.792 -4.488 -7.734
369 HA ALA 49 HA ALA 49 71.254 -5.111 -8.618
370 1HB ALA 49 3HB ALA 49 68.917 -3.805 -9.864
371 2HB ALA 49 2HB ALA 49 70.439 -3.688 -10.749
372 3HB ALA 49 1HB ALA 49 69.778 -5.272 -10.332
373 H SER 50 H SER 50 70.215 -1.887 -9.586
374 HA SER 50 HA SER 50 72.918 -0.908 -9.353
375 1HB SER 50 2HB SER 50 72.178 0.969 -10.568
376 2HB SER 50 1HB SER 50 71.287 -0.389 -11.244
377 HG SER 50 HG SER 50 69.562 0.231 -9.746
No H/Q in entry = 377
Start of MODEL 13
1 1H ALA 1 2H ALA 1 19.911 28.033 -22.083
2 2H ALA 1 1H ALA 1 21.601 28.027 -21.912
3 3H ALA 1 3H ALA 1 20.870 27.090 -23.121
4 HA ALA 1 HA ALA 1 21.128 25.435 -21.661
5 1HB ALA 1 2HB ALA 1 22.429 26.862 -20.094
6 2HB ALA 1 1HB ALA 1 20.914 27.466 -19.416
7 3HB ALA 1 3HB ALA 1 21.345 25.764 -19.233
8 H GLU 2 H GLU 2 19.617 24.038 -20.833
9 HA GLU 2 HA GLU 2 16.949 24.412 -21.360
10 1HB GLU 2 2HB GLU 2 18.453 22.544 -19.589
11 2HB GLU 2 1HB GLU 2 16.693 22.566 -19.500
12 1HG GLU 2 2HG GLU 2 17.163 22.524 -22.217
13 2HG GLU 2 1HG GLU 2 18.446 21.493 -21.581
14 H GLY 3 H GLY 3 15.310 25.446 -20.402
15 1HA GLY 3 2HA GLY 3 15.797 26.766 -17.844
16 2HA GLY 3 1HA GLY 3 14.560 27.211 -19.010
17 H ASP 4 H ASP 4 14.064 24.144 -19.172
18 HA ASP 4 HA ASP 4 12.341 24.002 -16.776
19 1HB ASP 4 2HB ASP 4 11.359 24.170 -19.209
20 2HB ASP 4 1HB ASP 4 11.751 22.452 -19.262
21 H ASP 5 H ASP 5 14.277 23.039 -15.754
22 HA ASP 5 HA ASP 5 14.741 20.263 -16.542
23 1HB ASP 5 2HB ASP 5 16.623 22.081 -16.189
24 2HB ASP 5 1HB ASP 5 16.421 21.623 -14.497
25 HA PRO 6 HA PRO 6 12.301 19.602 -12.776
26 1HB PRO 6 2HB PRO 6 11.181 17.271 -13.564
27 2HB PRO 6 1HB PRO 6 10.563 18.858 -14.041
28 1HG PRO 6 2HG PRO 6 12.026 16.864 -15.632
29 2HG PRO 6 1HG PRO 6 10.935 18.152 -16.161
30 1HD PRO 6 2HD PRO 6 13.773 18.166 -16.232
31 2HD PRO 6 1HD PRO 6 12.677 19.501 -16.627
32 H ALA 7 H ALA 7 15.113 18.375 -13.763
33 HA ALA 7 HA ALA 7 15.399 15.813 -12.741
34 1HB ALA 7 1HB ALA 7 17.400 18.079 -12.702
35 2HB ALA 7 3HB ALA 7 17.785 16.370 -12.482
36 3HB ALA 7 2HB ALA 7 17.144 16.940 -14.025
37 H LYS 8 H LYS 8 14.978 18.816 -11.068
38 HA LYS 8 HA LYS 8 16.121 18.343 -8.598
39 1HB LYS 8 2HB LYS 8 14.441 19.885 -7.725
40 2HB LYS 8 1HB LYS 8 15.099 20.465 -9.246
41 1HG LYS 8 2HG LYS 8 13.097 19.406 -10.391
42 2HG LYS 8 1HG LYS 8 12.436 19.119 -8.783
43 1HD LYS 8 2HD LYS 8 11.680 21.248 -10.038
44 2HD LYS 8 1HD LYS 8 12.119 21.388 -8.343
45 1HE LYS 8 2HE LYS 8 13.018 23.194 -9.904
46 2HE LYS 8 1HE LYS 8 14.202 22.413 -8.859
47 1HZ LYS 8 1HZ LYS 8 13.972 20.975 -11.275
48 2HZ LYS 8 3HZ LYS 8 14.232 22.613 -11.629
49 3HZ LYS 8 2HZ LYS 8 15.328 21.776 -10.638
50 H ALA 9 H ALA 9 13.103 17.147 -9.945
51 HA ALA 9 HA ALA 9 11.965 16.091 -7.598
52 1HB ALA 9 3HB ALA 9 11.040 16.363 -10.059
53 2HB ALA 9 2HB ALA 9 11.595 14.694 -10.209
54 3HB ALA 9 1HB ALA 9 10.401 15.121 -8.980
55 H ALA 10 H ALA 10 13.473 14.192 -10.208
56 HA ALA 10 HA ALA 10 13.776 11.819 -8.803
57 1HB ALA 10 3HB ALA 10 14.856 12.987 -11.253
58 2HB ALA 10 2HB ALA 10 15.972 11.861 -10.477
59 3HB ALA 10 1HB ALA 10 14.349 11.330 -10.922
60 H PHE 11 H PHE 11 15.935 14.611 -8.976
61 HA PHE 11 HA PHE 11 18.133 13.506 -7.609
62 1HB PHE 11 2HB PHE 11 17.661 15.869 -8.823
63 2HB PHE 11 1HB PHE 11 17.530 16.362 -7.145
64 HD1 PHE 11 HD1 PHE 11 19.454 15.713 -5.557
65 HD2 PHE 11 HD2 PHE 11 19.802 15.621 -9.827
66 HE1 PHE 11 HE1 PHE 11 21.906 15.775 -5.369
67 HE2 PHE 11 HE2 PHE 11 22.248 15.685 -9.620
68 HZ PHE 11 HZ PHE 11 23.303 15.760 -7.396
69 H ASN 12 H ASN 12 15.188 15.062 -6.458
70 HA ASN 12 HA ASN 12 15.947 15.206 -3.716
71 1HB ASN 12 2HB ASN 12 14.076 16.488 -4.881
72 2HB ASN 12 1HB ASN 12 13.125 15.009 -4.751
73 1HD2 ASN 12 2HD2 ASN 12 12.178 15.682 -1.496
74 2HD2 ASN 12 1HD2 ASN 12 11.868 14.941 -3.026
75 H SER 13 H SER 13 14.316 12.802 -5.701
76 HA SER 13 HA SER 13 13.439 11.077 -3.650
77 1HB SER 13 2HB SER 13 13.064 11.073 -6.287
78 2HB SER 13 1HB SER 13 14.400 9.922 -6.220
79 HG SER 13 HG SER 13 13.160 8.703 -4.718
80 H LEU 14 H LEU 14 16.547 11.627 -5.095
81 HA LEU 14 HA LEU 14 17.845 9.235 -4.362
82 1HB LEU 14 2HB LEU 14 18.764 10.834 -5.980
83 2HB LEU 14 1HB LEU 14 18.964 12.015 -4.691
84 HG LEU 14 HG LEU 14 20.263 9.850 -3.632
85 1HD1 LEU 14 1HD1 LEU 14 19.908 8.600 -5.788
86 2HD1 LEU 14 3HD1 LEU 14 20.990 9.761 -6.565
87 3HD1 LEU 14 2HD1 LEU 14 21.592 8.723 -5.272
88 1HD2 LEU 14 2HD2 LEU 14 21.471 12.011 -5.382
89 2HD2 LEU 14 1HD2 LEU 14 21.301 12.019 -3.618
90 3HD2 LEU 14 3HD2 LEU 14 22.415 10.895 -4.397
91 H GLN 15 H GLN 15 17.054 12.144 -2.621
92 HA GLN 15 HA GLN 15 18.782 12.137 -0.482
93 1HB GLN 15 2HB GLN 15 16.901 13.757 -0.994
94 2HB GLN 15 1HB GLN 15 15.821 12.610 -0.214
95 1HG GLN 15 2HG GLN 15 16.385 14.154 1.480
96 2HG GLN 15 1HG GLN 15 17.402 12.750 1.802
97 1HE2 GLN 15 2HD2 GLN 15 19.999 15.113 2.026
98 2HE2 GLN 15 1HD2 GLN 15 18.911 14.086 2.891
99 H ALA 16 H ALA 16 16.255 9.871 -1.214
100 HA ALA 16 HA ALA 16 16.273 8.691 1.451
101 1HB ALA 16 1HB ALA 16 14.180 8.880 0.108
102 2HB ALA 16 3HB ALA 16 14.866 7.733 -1.043
103 3HB ALA 16 2HB ALA 16 14.546 7.230 0.618
104 H SER 17 H SER 17 18.599 8.657 -0.613
105 HA SER 17 HA SER 17 19.559 6.053 0.083
106 1HB SER 17 2HB SER 17 19.214 6.539 -2.864
107 2HB SER 17 1HB SER 17 19.671 5.048 -2.050
108 HG SER 17 HG SER 17 17.585 4.791 -1.370
109 H ALA 18 H ALA 18 20.897 7.967 0.939
110 HA ALA 18 HA ALA 18 22.696 9.164 -1.018
111 1HB ALA 18 1HB ALA 18 22.087 9.574 1.866
112 2HB ALA 18 3HB ALA 18 23.669 10.073 1.266
113 3HB ALA 18 2HB ALA 18 22.203 10.753 0.557
114 H THR 19 H THR 19 22.945 6.392 -0.902
115 HA THR 19 HA THR 19 25.363 5.865 0.667
116 HB THR 19 HB THR 19 23.383 4.268 0.585
117 HG1 THR 19 HG1 THR 19 25.255 3.498 1.409
118 1HG2 THR 19 3HG2 THR 19 23.897 4.396 -2.215
119 2HG2 THR 19 2HG2 THR 19 24.298 2.768 -1.674
120 3HG2 THR 19 1HG2 THR 19 22.688 3.423 -1.375
121 H GLU 20 H GLU 20 25.206 7.599 -1.785
122 HA GLU 20 HA GLU 20 26.783 6.131 -3.740
123 1HB GLU 20 2HB GLU 20 25.040 8.380 -3.746
124 2HB GLU 20 1HB GLU 20 26.611 8.905 -4.332
125 1HG GLU 20 2HG GLU 20 25.080 8.103 -6.139
126 2HG GLU 20 1HG GLU 20 26.602 7.216 -6.062
127 H TYR 21 H TYR 21 27.495 7.551 -0.897
128 HA TYR 21 HA TYR 21 30.139 8.471 -1.837
129 1HB TYR 21 2HB TYR 21 28.256 9.627 0.166
130 2HB TYR 21 1HB TYR 21 29.984 9.861 0.379
131 HD1 TYR 21 HD1 TYR 21 31.274 11.178 -1.260
132 HD2 TYR 21 HD2 TYR 21 27.043 10.689 -1.626
133 HE1 TYR 21 HE1 TYR 21 31.193 13.037 -2.870
134 HE2 TYR 21 HE2 TYR 21 26.974 12.551 -3.238
135 HH TYR 21 HH TYR 21 29.820 14.489 -3.949
136 H ILE 22 H ILE 22 28.472 6.303 0.260
137 HA ILE 22 HA ILE 22 30.764 5.989 2.024
138 HB ILE 22 HB ILE 22 28.095 4.566 2.000
139 1HG1 ILE 22 2HG1 ILE 22 29.046 7.002 3.580
140 2HG1 ILE 22 1HG1 ILE 22 27.636 6.866 2.524
141 1HG2 ILE 22 3HG2 ILE 22 30.358 4.495 4.019
142 2HG2 ILE 22 2HG2 ILE 22 28.724 3.928 4.365
143 3HG2 ILE 22 1HG2 ILE 22 29.675 3.154 3.100
144 1HD1 ILE 22 1HD1 ILE 22 27.394 4.884 4.568
145 2HD1 ILE 22 3HD1 ILE 22 27.797 6.423 5.330
146 3HD1 ILE 22 2HD1 ILE 22 26.386 6.302 4.278
147 H GLY 23 H GLY 23 29.048 4.054 -0.415
148 1HA GLY 23 2HA GLY 23 30.471 1.659 -0.064
149 2HA GLY 23 1HA GLY 23 29.699 2.171 -1.565
150 H TYR 24 H TYR 24 30.997 4.141 -2.552
151 HA TYR 24 HA TYR 24 33.344 3.186 -3.645
152 1HB TYR 24 2HB TYR 24 32.753 6.107 -3.231
153 2HB TYR 24 1HB TYR 24 33.690 5.373 -4.522
154 HD1 TYR 24 HD1 TYR 24 32.489 3.813 -6.149
155 HD2 TYR 24 HD2 TYR 24 30.399 6.422 -3.471
156 HE1 TYR 24 HE1 TYR 24 30.455 3.606 -7.516
157 HE2 TYR 24 HE2 TYR 24 28.377 6.194 -4.845
158 HH TYR 24 HH TYR 24 28.175 3.926 -7.490
159 H ALA 25 H ALA 25 32.869 4.896 -0.632
160 HA ALA 25 HA ALA 25 35.505 5.742 -0.152
161 1HB ALA 25 2HB ALA 25 33.070 5.370 1.418
162 2HB ALA 25 1HB ALA 25 34.543 5.084 2.345
163 3HB ALA 25 3HB ALA 25 34.300 6.628 1.526
164 H TRP 26 H TRP 26 34.082 2.597 -0.127
165 HA TRP 26 HA TRP 26 36.134 1.370 1.495
166 1HB TRP 26 2HB TRP 26 33.611 0.578 0.263
167 2HB TRP 26 1HB TRP 26 34.853 -0.648 0.125
168 HD1 TRP 26 1HD TRP 26 32.414 0.816 2.547
169 HE1 TRP 26 1HE TRP 26 32.710 -0.259 4.836
170 HE3 TRP 26 3HE TRP 26 36.820 -1.657 1.777
171 HZ2 TRP 26 2HZ TRP 26 34.534 -1.929 6.173
172 HZ3 TRP 26 3HZ TRP 26 37.790 -2.981 3.611
173 HH2 TRP 26 HH2 TRP 26 36.660 -3.119 5.791
174 H ALA 27 H ALA 27 35.175 1.251 -1.931
175 HA ALA 27 HA ALA 27 37.211 -0.357 -2.906
176 1HB ALA 27 2HB ALA 27 35.525 1.809 -4.077
177 2HB ALA 27 1HB ALA 27 36.902 1.221 -5.011
178 3HB ALA 27 3HB ALA 27 35.630 0.103 -4.516
179 H MET 28 H MET 28 37.318 2.920 -1.796
180 HA MET 28 HA MET 28 39.869 3.530 -3.014
181 1HB MET 28 2HB MET 28 37.852 4.949 -1.412
182 2HB MET 28 1HB MET 28 39.504 5.389 -1.028
183 1HG MET 28 2HG MET 28 38.149 5.559 -3.727
184 2HG MET 28 1HG MET 28 38.673 6.894 -2.713
185 1HE MET 28 3HE MET 28 40.496 8.020 -2.761
186 2HE MET 28 2HE MET 28 42.055 7.677 -3.510
187 3HE MET 28 1HE MET 28 40.692 8.171 -4.514
188 H VAL 29 H VAL 29 38.634 2.529 0.118
189 HA VAL 29 HA VAL 29 40.985 2.809 1.630
190 HB VAL 29 HB VAL 29 38.609 0.969 1.868
191 1HG1 VAL 29 3HG1 VAL 29 41.041 1.198 3.575
192 2HG1 VAL 29 2HG1 VAL 29 39.477 0.906 4.340
193 3HG1 VAL 29 1HG1 VAL 29 40.098 -0.228 3.138
194 1HG2 VAL 29 1HG2 VAL 29 38.566 3.584 2.147
195 2HG2 VAL 29 3HG2 VAL 29 37.678 2.543 3.262
196 3HG2 VAL 29 2HG2 VAL 29 39.243 3.209 3.732
197 H VAL 30 H VAL 30 39.909 0.359 -0.620
198 HA VAL 30 HA VAL 30 41.865 -1.596 0.120
199 HB VAL 30 HB VAL 30 39.524 -1.694 -1.207
200 1HG1 VAL 30 2HG1 VAL 30 40.519 -0.645 -3.229
201 2HG1 VAL 30 1HG1 VAL 30 41.588 -2.040 -3.374
202 3HG1 VAL 30 3HG1 VAL 30 39.841 -2.248 -3.522
203 1HG2 VAL 30 2HG2 VAL 30 40.706 -3.538 -0.121
204 2HG2 VAL 30 1HG2 VAL 30 40.063 -4.008 -1.696
205 3HG2 VAL 30 3HG2 VAL 30 41.784 -3.663 -1.513
206 H VAL 31 H VAL 31 41.736 1.089 -2.097
207 HA VAL 31 HA VAL 31 44.102 0.315 -3.544
208 HB VAL 31 HB VAL 31 42.474 2.845 -3.514
209 1HG1 VAL 31 2HG1 VAL 31 44.813 3.204 -4.223
210 2HG1 VAL 31 1HG1 VAL 31 44.587 1.994 -5.486
211 3HG1 VAL 31 3HG1 VAL 31 43.647 3.487 -5.516
212 1HG2 VAL 31 1HG2 VAL 31 41.349 0.758 -4.339
213 2HG2 VAL 31 3HG2 VAL 31 41.481 2.041 -5.543
214 3HG2 VAL 31 2HG2 VAL 31 42.582 0.661 -5.599
215 H ILE 32 H ILE 32 43.341 2.135 -0.729
216 HA ILE 32 HA ILE 32 45.901 3.531 -0.690
217 HB ILE 32 HB ILE 32 43.603 3.476 1.265
218 1HG1 ILE 32 2HG1 ILE 32 44.525 5.508 -0.771
219 2HG1 ILE 32 1HG1 ILE 32 43.021 4.593 -0.790
220 1HG2 ILE 32 1HG2 ILE 32 45.782 3.895 2.373
221 2HG2 ILE 32 3HG2 ILE 32 46.043 5.260 1.286
222 3HG2 ILE 32 2HG2 ILE 32 44.702 5.289 2.433
223 1HD1 ILE 32 3HD1 ILE 32 42.361 5.716 1.334
224 2HD1 ILE 32 2HD1 ILE 32 43.823 6.698 1.230
225 3HD1 ILE 32 1HD1 ILE 32 42.572 6.844 -0.007
226 H VAL 33 H VAL 33 44.413 0.685 0.635
227 HA VAL 33 HA VAL 33 46.332 0.291 2.730
228 HB VAL 33 HB VAL 33 44.129 -1.341 1.496
229 1HG1 VAL 33 2HG1 VAL 33 45.970 -2.186 3.725
230 2HG1 VAL 33 1HG1 VAL 33 44.502 -3.031 3.228
231 3HG1 VAL 33 3HG1 VAL 33 45.866 -2.907 2.117
232 1HG2 VAL 33 1HG2 VAL 33 43.727 0.615 3.095
233 2HG2 VAL 33 3HG2 VAL 33 42.948 -0.922 3.478
234 3HG2 VAL 33 2HG2 VAL 33 44.405 -0.431 4.346
235 H GLY 34 H GLY 34 45.925 -0.632 -0.619
236 1HA GLY 34 2HA GLY 34 48.099 -2.562 -0.563
237 2HA GLY 34 1HA GLY 34 47.153 -2.084 -1.975
238 H ALA 35 H ALA 35 47.462 0.571 -2.161
239 HA ALA 35 HA ALA 35 49.914 0.981 -3.379
240 1HB ALA 35 1HB ALA 35 47.975 2.481 -3.651
241 2HB ALA 35 3HB ALA 35 48.205 3.064 -2.002
242 3HB ALA 35 2HB ALA 35 49.435 3.378 -3.228
243 H THR 36 H THR 36 48.992 1.267 -0.036
244 HA THR 36 HA THR 36 51.269 2.636 0.949
245 HB THR 36 HB THR 36 49.275 0.752 2.201
246 HG1 THR 36 HG1 THR 36 48.712 2.954 1.508
247 1HG2 THR 36 3HG2 THR 36 51.383 0.584 3.452
248 2HG2 THR 36 2HG2 THR 36 51.414 2.342 3.627
249 3HG2 THR 36 1HG2 THR 36 50.131 1.400 4.392
250 H ILE 37 H ILE 37 50.488 -0.764 0.452
251 HA ILE 37 HA ILE 37 52.973 -1.754 1.511
252 HB ILE 37 HB ILE 37 50.881 -3.064 -0.216
253 1HG1 ILE 37 2HG1 ILE 37 51.308 -3.107 2.758
254 2HG1 ILE 37 1HG1 ILE 37 49.987 -2.313 1.912
255 1HG2 ILE 37 2HG2 ILE 37 53.209 -4.096 -0.199
256 2HG2 ILE 37 1HG2 ILE 37 52.911 -4.459 1.503
257 3HG2 ILE 37 3HG2 ILE 37 51.866 -5.145 0.259
258 1HD1 ILE 37 2HD1 ILE 37 50.528 -5.283 1.742
259 2HD1 ILE 37 1HD1 ILE 37 49.411 -4.561 2.903
260 3HD1 ILE 37 3HD1 ILE 37 49.099 -4.417 1.172
261 H GLY 38 H GLY 38 51.796 -0.632 -1.551
262 1HA GLY 38 2HA GLY 38 53.711 -1.852 -3.259
263 2HA GLY 38 1HA GLY 38 52.747 -0.420 -3.625
264 H ILE 39 H ILE 39 53.499 1.370 -1.816
265 HA ILE 39 HA ILE 39 56.002 2.268 -2.809
266 HB ILE 39 HB ILE 39 54.334 3.255 -0.498
267 1HG1 ILE 39 2HG1 ILE 39 54.383 4.814 -2.969
268 2HG1 ILE 39 1HG1 ILE 39 53.696 3.210 -3.187
269 1HG2 ILE 39 1HG2 ILE 39 56.601 4.511 -2.026
270 2HG2 ILE 39 3HG2 ILE 39 55.546 5.382 -0.911
271 3HG2 ILE 39 2HG2 ILE 39 56.576 4.079 -0.314
272 1HD1 ILE 39 2HD1 ILE 39 52.636 4.247 -0.772
273 2HD1 ILE 39 1HD1 ILE 39 52.500 5.514 -1.993
274 3HD1 ILE 39 3HD1 ILE 39 51.785 3.928 -2.285
275 H LYS 40 H LYS 40 54.978 0.802 0.253
276 HA LYS 40 HA LYS 40 57.397 1.141 1.655
277 1HB LYS 40 2HB LYS 40 54.909 -0.143 2.099
278 2HB LYS 40 1HB LYS 40 56.171 -1.332 2.348
279 1HG LYS 40 2HG LYS 40 56.116 -0.479 4.444
280 2HG LYS 40 1HG LYS 40 57.306 0.609 3.742
281 1HD LYS 40 2HD LYS 40 54.343 1.141 4.099
282 2HD LYS 40 1HD LYS 40 55.640 1.851 5.042
283 1HE LYS 40 2HE LYS 40 56.325 3.245 3.290
284 2HE LYS 40 1HE LYS 40 55.539 2.251 2.054
285 1HZ LYS 40 2HZ LYS 40 53.678 3.245 3.962
286 2HZ LYS 40 1HZ LYS 40 54.534 4.505 3.209
287 3HZ LYS 40 3HZ LYS 40 53.676 3.385 2.269
288 H LEU 41 H LEU 41 56.299 -1.318 -0.602
289 HA LEU 41 HA LEU 41 58.391 -3.167 -0.267
290 1HB LEU 41 2HB LEU 41 56.443 -2.526 -2.430
291 2HB LEU 41 1HB LEU 41 57.805 -3.564 -2.831
292 HG LEU 41 HG LEU 41 55.791 -4.019 -0.623
293 1HD1 LEU 41 3HD1 LEU 41 56.026 -4.964 -3.411
294 2HD1 LEU 41 2HD1 LEU 41 55.579 -6.175 -2.209
295 3HD1 LEU 41 1HD1 LEU 41 54.594 -4.725 -2.409
296 1HD2 LEU 41 3HD2 LEU 41 58.433 -5.184 -1.105
297 2HD2 LEU 41 2HD2 LEU 41 57.411 -5.246 0.332
298 3HD2 LEU 41 1HD2 LEU 41 57.148 -6.386 -0.988
299 H PHE 42 H PHE 42 58.175 -0.173 -2.078
300 HA PHE 42 HA PHE 42 60.534 -0.512 -3.629
301 1HB PHE 42 2HB PHE 42 59.021 1.069 -4.446
302 2HB PHE 42 1HB PHE 42 58.789 1.805 -2.875
303 HD1 PHE 42 HD2 PHE 42 62.205 1.121 -4.057
304 HD2 PHE 42 HD1 PHE 42 59.069 4.017 -3.840
305 HE1 PHE 42 HE2 PHE 42 63.799 2.900 -4.663
306 HE2 PHE 42 HE1 PHE 42 60.668 5.788 -4.443
307 HZ PHE 42 HZ PHE 42 63.030 5.231 -4.856
308 H LYS 43 H LYS 43 59.855 1.461 -0.753
309 HA LYS 43 HA LYS 43 62.269 2.535 -0.165
310 1HB LYS 43 2HB LYS 43 60.186 1.351 1.635
311 2HB LYS 43 1HB LYS 43 61.592 2.214 2.264
312 1HG LYS 43 2HG LYS 43 60.347 3.657 0.074
313 2HG LYS 43 1HG LYS 43 59.190 3.324 1.349
314 1HD LYS 43 2HD LYS 43 60.576 4.416 3.007
315 2HD LYS 43 1HD LYS 43 61.892 4.594 1.852
316 1HE LYS 43 2HE LYS 43 59.500 6.254 2.263
317 2HE LYS 43 1HE LYS 43 61.074 6.678 1.594
318 1HZ LYS 43 1HZ LYS 43 60.412 5.641 -0.496
319 2HZ LYS 43 3HZ LYS 43 58.889 5.271 0.152
320 3HZ LYS 43 2HZ LYS 43 59.349 6.893 -0.062
321 H LYS 44 H LYS 44 61.453 -0.863 0.062
322 HA LYS 44 HA LYS 44 63.948 -1.443 1.476
323 1HB LYS 44 2HB LYS 44 61.745 -2.491 2.135
324 2HB LYS 44 1HB LYS 44 61.797 -3.383 0.625
325 1HG LYS 44 2HG LYS 44 64.224 -3.578 2.324
326 2HG LYS 44 1HG LYS 44 62.769 -4.343 2.949
327 1HD LYS 44 2HD LYS 44 62.556 -5.434 0.627
328 2HD LYS 44 1HD LYS 44 64.205 -4.880 0.348
329 1HE LYS 44 2HE LYS 44 63.284 -7.161 1.964
330 2HE LYS 44 1HE LYS 44 64.861 -6.841 1.245
331 1HZ LYS 44 1HZ LYS 44 65.288 -5.291 3.099
332 2HZ LYS 44 3HZ LYS 44 63.824 -5.766 3.809
333 3HZ LYS 44 2HZ LYS 44 65.072 -6.899 3.602
334 H PHE 45 H PHE 45 62.248 -2.458 -1.501
335 HA PHE 45 HA PHE 45 64.481 -3.921 -2.524
336 1HB PHE 45 2HB PHE 45 61.807 -3.110 -3.523
337 2HB PHE 45 1HB PHE 45 63.037 -3.481 -4.711
338 HD1 PHE 45 HD1 PHE 45 64.287 -5.709 -4.540
339 HD2 PHE 45 HD2 PHE 45 60.629 -4.903 -2.440
340 HE1 PHE 45 HE1 PHE 45 63.902 -8.121 -4.250
341 HE2 PHE 45 HE2 PHE 45 60.268 -7.317 -2.166
342 HZ PHE 45 HZ PHE 45 61.899 -8.925 -3.067
343 H THR 46 H THR 46 63.176 -0.690 -3.230
344 HA THR 46 HA THR 46 64.015 0.986 -4.593
345 HB THR 46 HB THR 46 65.155 1.536 -2.632
346 HG1 THR 46 HG1 THR 46 66.770 2.575 -3.522
347 1HG2 THR 46 3HG2 THR 46 67.009 -0.779 -3.194
348 2HG2 THR 46 2HG2 THR 46 67.208 0.378 -1.876
349 3HG2 THR 46 1HG2 THR 46 65.797 -0.684 -1.916
350 H SER 47 H SER 47 64.048 -1.571 -5.887
351 HA SER 47 HA SER 47 64.950 -2.679 -7.684
352 1HB SER 47 2HB SER 47 66.197 -0.884 -9.237
353 2HB SER 47 1HB SER 47 64.445 -1.012 -9.136
354 HG SER 47 HG SER 47 66.188 0.881 -7.974
355 H LYS 48 H LYS 48 66.506 -3.222 -5.612
356 HA LYS 48 HA LYS 48 69.148 -2.445 -5.542
357 1HB LYS 48 2HB LYS 48 68.060 -5.227 -5.098
358 2HB LYS 48 1HB LYS 48 69.601 -4.616 -4.505
359 1HG LYS 48 2HG LYS 48 67.818 -2.760 -3.522
360 2HG LYS 48 1HG LYS 48 66.891 -4.254 -3.439
361 1HD LYS 48 2HD LYS 48 67.961 -4.353 -1.413
362 2HD LYS 48 1HD LYS 48 69.146 -5.187 -2.414
363 1HE LYS 48 2HE LYS 48 69.209 -2.268 -1.623
364 2HE LYS 48 1HE LYS 48 70.248 -3.541 -0.991
365 1HZ LYS 48 1HZ LYS 48 71.146 -3.859 -3.209
366 2HZ LYS 48 3HZ LYS 48 70.142 -2.634 -3.815
367 3HZ LYS 48 2HZ LYS 48 71.361 -2.254 -2.695
368 H ALA 49 H ALA 49 67.675 -5.026 -7.482
369 HA ALA 49 HA ALA 49 69.806 -6.161 -8.703
370 1HB ALA 49 1HB ALA 49 67.311 -6.613 -9.049
371 2HB ALA 49 3HB ALA 49 67.385 -5.368 -10.297
372 3HB ALA 49 2HB ALA 49 68.370 -6.826 -10.444
373 H SER 50 H SER 50 70.760 -5.852 -10.848
374 HA SER 50 HA SER 50 72.066 -4.602 -12.264
375 1HB SER 50 2HB SER 50 69.391 -3.901 -12.640
376 2HB SER 50 1HB SER 50 70.251 -2.367 -12.575
377 HG SER 50 HG SER 50 71.241 -4.517 -14.127
No H/Q in entry = 377
Start of MODEL 14
1 1H ALA 1 1H ALA 1 16.258 6.841 -9.063
2 2H ALA 1 3H ALA 1 17.477 6.925 -10.241
3 3H ALA 1 2H ALA 1 16.379 8.209 -10.065
4 HA ALA 1 HA ALA 1 15.293 7.274 -11.746
5 1HB ALA 1 2HB ALA 1 16.615 4.652 -10.971
6 2HB ALA 1 1HB ALA 1 15.585 4.880 -12.387
7 3HB ALA 1 3HB ALA 1 17.130 5.730 -12.270
8 H GLU 2 H GLU 2 13.615 7.893 -10.190
9 HA GLU 2 HA GLU 2 11.598 6.001 -9.958
10 1HB GLU 2 2HB GLU 2 12.961 4.911 -8.270
11 2HB GLU 2 1HB GLU 2 13.133 6.429 -7.392
12 1HG GLU 2 2HG GLU 2 10.690 6.468 -7.018
13 2HG GLU 2 1HG GLU 2 10.549 4.924 -7.857
14 H GLY 3 H GLY 3 10.024 7.415 -10.345
15 1HA GLY 3 2HA GLY 3 8.407 8.926 -9.425
16 2HA GLY 3 1HA GLY 3 9.713 9.704 -8.539
17 H ASP 4 H ASP 4 9.659 11.761 -9.312
18 HA ASP 4 HA ASP 4 9.944 12.124 -12.230
19 1HB ASP 4 2HB ASP 4 7.828 12.994 -10.764
20 2HB ASP 4 1HB ASP 4 8.901 14.390 -10.661
21 H ASP 5 H ASP 5 12.219 12.027 -11.981
22 HA ASP 5 HA ASP 5 14.275 13.041 -11.928
23 1HB ASP 5 2HB ASP 5 12.908 15.095 -12.558
24 2HB ASP 5 1HB ASP 5 12.932 15.508 -10.844
25 HA PRO 6 HA PRO 6 14.971 12.222 -7.576
26 1HB PRO 6 2HB PRO 6 17.599 11.619 -7.769
27 2HB PRO 6 1HB PRO 6 16.307 10.496 -8.218
28 1HG PRO 6 2HG PRO 6 18.132 12.048 -9.936
29 2HG PRO 6 1HG PRO 6 17.296 10.521 -10.261
30 1HD PRO 6 2HD PRO 6 16.557 13.081 -11.189
31 2HD PRO 6 1HD PRO 6 15.605 11.590 -11.306
32 H ALA 7 H ALA 7 15.724 14.929 -9.202
33 HA ALA 7 HA ALA 7 17.908 16.103 -7.928
34 1HB ALA 7 1HB ALA 7 16.487 16.965 -9.900
35 2HB ALA 7 3HB ALA 7 15.436 17.653 -8.661
36 3HB ALA 7 2HB ALA 7 17.127 18.154 -8.762
37 H LYS 8 H LYS 8 14.456 16.509 -7.095
38 HA LYS 8 HA LYS 8 15.244 17.381 -4.409
39 1HB LYS 8 2HB LYS 8 12.533 17.529 -5.715
40 2HB LYS 8 1HB LYS 8 13.082 18.368 -4.278
41 1HG LYS 8 2HG LYS 8 14.391 18.769 -6.951
42 2HG LYS 8 1HG LYS 8 12.984 19.709 -6.447
43 1HD LYS 8 2HD LYS 8 14.140 20.877 -4.820
44 2HD LYS 8 1HD LYS 8 15.236 19.549 -4.489
45 1HE LYS 8 2HE LYS 8 15.734 21.910 -6.015
46 2HE LYS 8 1HE LYS 8 16.839 20.572 -5.695
47 1HZ LYS 8 1HZ LYS 8 14.836 20.557 -7.894
48 2HZ LYS 8 3HZ LYS 8 16.439 21.075 -8.087
49 3HZ LYS 8 2HZ LYS 8 16.115 19.465 -7.652
50 H ALA 9 H ALA 9 13.192 15.062 -6.127
51 HA ALA 9 HA ALA 9 11.891 13.920 -3.933
52 1HB ALA 9 2HB ALA 9 12.365 13.225 -6.733
53 2HB ALA 9 1HB ALA 9 12.189 11.820 -5.677
54 3HB ALA 9 3HB ALA 9 10.912 13.037 -5.749
55 H ALA 10 H ALA 10 14.206 11.937 -5.703
56 HA ALA 10 HA ALA 10 14.869 10.205 -3.701
57 1HB ALA 10 2HB ALA 10 16.695 11.246 -5.871
58 2HB ALA 10 1HB ALA 10 16.969 9.781 -4.925
59 3HB ALA 10 3HB ALA 10 15.577 9.886 -6.005
60 H PHE 11 H PHE 11 16.050 13.461 -4.134
61 HA PHE 11 HA PHE 11 18.287 13.298 -2.392
62 1HB PHE 11 2HB PHE 11 17.417 15.142 -4.128
63 2HB PHE 11 1HB PHE 11 16.822 15.858 -2.639
64 HD1 PHE 11 HD1 PHE 11 18.606 15.771 -0.642
65 HD2 PHE 11 HD2 PHE 11 19.573 15.821 -4.813
66 HE1 PHE 11 HE1 PHE 11 20.839 16.664 -0.122
67 HE2 PHE 11 HE2 PHE 11 21.800 16.712 -4.278
68 HZ PHE 11 HZ PHE 11 22.436 17.135 -1.936
69 H ASN 12 H ASN 12 14.878 14.039 -1.906
70 HA ASN 12 HA ASN 12 15.214 14.782 0.864
71 1HB ASN 12 2HB ASN 12 13.354 15.449 -0.900
72 2HB ASN 12 1HB ASN 12 12.559 14.016 -0.247
73 1HD2 ASN 12 2HD2 ASN 12 11.285 16.508 1.976
74 2HD2 ASN 12 1HD2 ASN 12 11.014 15.764 0.440
75 H SER 13 H SER 13 14.221 11.905 -0.915
76 HA SER 13 HA SER 13 13.406 10.458 1.442
77 1HB SER 13 2HB SER 13 12.943 10.132 -1.239
78 2HB SER 13 1HB SER 13 14.135 8.873 -0.916
79 HG SER 13 HG SER 13 11.930 9.214 0.809
80 H LEU 14 H LEU 14 16.338 10.808 -0.431
81 HA LEU 14 HA LEU 14 17.703 8.569 0.725
82 1HB LEU 14 2HB LEU 14 18.344 9.440 -1.455
83 2HB LEU 14 1HB LEU 14 18.736 10.998 -0.732
84 HG LEU 14 HG LEU 14 20.120 8.991 0.753
85 1HD1 LEU 14 2HD1 LEU 14 19.804 7.478 -1.177
86 2HD1 LEU 14 1HD1 LEU 14 20.635 8.644 -2.214
87 3HD1 LEU 14 3HD1 LEU 14 21.503 7.860 -0.894
88 1HD2 LEU 14 1HD2 LEU 14 21.242 10.973 -1.254
89 2HD2 LEU 14 3HD2 LEU 14 20.991 11.256 0.478
90 3HD2 LEU 14 2HD2 LEU 14 22.179 10.072 -0.066
91 H GLN 15 H GLN 15 17.327 11.946 1.505
92 HA GLN 15 HA GLN 15 19.446 12.487 3.163
93 1HB GLN 15 2HB GLN 15 17.726 14.111 2.574
94 2HB GLN 15 1HB GLN 15 16.555 13.251 3.564
95 1HG GLN 15 2HG GLN 15 18.275 13.631 5.486
96 2HG GLN 15 1HG GLN 15 18.916 14.890 4.427
97 1HE2 GLN 15 2HD2 GLN 15 16.168 16.155 6.713
98 2HE2 GLN 15 1HD2 GLN 15 17.551 15.159 6.999
99 H ALA 16 H ALA 16 16.668 10.473 3.796
100 HA ALA 16 HA ALA 16 17.342 10.131 6.612
101 1HB ALA 16 2HB ALA 16 15.082 9.372 4.841
102 2HB ALA 16 1HB ALA 16 15.384 8.365 6.258
103 3HB ALA 16 3HB ALA 16 15.063 10.089 6.453
104 H SER 17 H SER 17 18.951 9.082 4.145
105 HA SER 17 HA SER 17 19.745 6.606 5.408
106 1HB SER 17 2HB SER 17 17.753 6.330 3.600
107 2HB SER 17 1HB SER 17 19.151 6.234 2.537
108 HG SER 17 HG SER 17 18.211 4.270 3.882
109 H ALA 18 H ALA 18 21.513 8.351 5.498
110 HA ALA 18 HA ALA 18 23.013 8.632 3.000
111 1HB ALA 18 2HB ALA 18 22.564 10.494 4.776
112 2HB ALA 18 1HB ALA 18 23.909 9.737 5.633
113 3HB ALA 18 3HB ALA 18 24.150 10.383 4.008
114 H THR 19 H THR 19 22.780 6.038 4.409
115 HA THR 19 HA THR 19 25.507 5.584 5.387
116 HB THR 19 HB THR 19 24.691 3.377 6.032
117 HG1 THR 19 HG1 THR 19 22.111 4.119 5.174
118 1HG2 THR 19 3HG2 THR 19 23.287 5.848 6.905
119 2HG2 THR 19 2HG2 THR 19 22.585 4.311 7.413
120 3HG2 THR 19 1HG2 THR 19 24.251 4.704 7.843
121 H GLU 20 H GLU 20 24.080 5.687 2.425
122 HA GLU 20 HA GLU 20 25.386 3.323 1.339
123 1HB GLU 20 2HB GLU 20 23.036 4.682 0.740
124 2HB GLU 20 1HB GLU 20 24.124 5.075 -0.588
125 1HG GLU 20 2HG GLU 20 22.771 3.037 -1.011
126 2HG GLU 20 1HG GLU 20 24.506 2.728 -1.031
127 H TYR 21 H TYR 21 26.136 6.529 1.910
128 HA TYR 21 HA TYR 21 27.970 6.717 -0.382
129 1HB TYR 21 2HB TYR 21 26.672 8.683 1.430
130 2HB TYR 21 1HB TYR 21 28.245 9.093 0.760
131 HD1 TYR 21 HD2 TYR 21 28.532 9.331 -1.688
132 HD2 TYR 21 HD1 TYR 21 24.702 8.583 0.058
133 HE1 TYR 21 HE2 TYR 21 27.438 10.004 -3.788
134 HE2 TYR 21 HE1 TYR 21 23.618 9.259 -2.048
135 HH TYR 21 HH TYR 21 24.996 10.985 -4.364
136 H ILE 22 H ILE 22 27.905 6.083 2.988
137 HA ILE 22 HA ILE 22 30.595 6.951 3.527
138 HB ILE 22 HB ILE 22 28.609 5.255 5.044
139 1HG1 ILE 22 2HG1 ILE 22 28.318 7.822 4.778
140 2HG1 ILE 22 1HG1 ILE 22 28.189 7.145 6.409
141 1HG2 ILE 22 3HG2 ILE 22 31.489 5.606 5.537
142 2HG2 ILE 22 2HG2 ILE 22 30.479 5.978 6.934
143 3HG2 ILE 22 1HG2 ILE 22 30.376 4.390 6.170
144 1HD1 ILE 22 2HD1 ILE 22 30.925 7.794 6.033
145 2HD1 ILE 22 1HD1 ILE 22 29.988 9.161 5.429
146 3HD1 ILE 22 3HD1 ILE 22 29.750 8.587 7.078
147 H GLY 23 H GLY 23 29.024 3.926 2.645
148 1HA GLY 23 2HA GLY 23 31.282 2.240 3.049
149 2HA GLY 23 1HA GLY 23 29.874 1.866 2.059
150 H TYR 24 H TYR 24 30.694 4.668 0.760
151 HA TYR 24 HA TYR 24 31.949 3.545 -1.547
152 1HB TYR 24 2HB TYR 24 31.383 6.354 -0.622
153 2HB TYR 24 1HB TYR 24 32.303 6.037 -2.084
154 HD1 TYR 24 HD2 TYR 24 29.654 3.653 -1.294
155 HD2 TYR 24 HD1 TYR 24 30.526 7.349 -3.273
156 HE1 TYR 24 HE2 TYR 24 27.561 3.482 -2.555
157 HE2 TYR 24 HE1 TYR 24 28.423 7.157 -4.525
158 HH TYR 24 HH TYR 24 26.077 4.655 -3.837
159 H ALA 25 H ALA 25 33.071 5.306 1.274
160 HA ALA 25 HA ALA 25 35.740 5.712 0.364
161 1HB ALA 25 3HB ALA 25 34.278 5.954 2.946
162 2HB ALA 25 2HB ALA 25 36.038 5.842 3.008
163 3HB ALA 25 1HB ALA 25 35.267 7.140 2.094
164 H TRP 26 H TRP 26 34.032 3.060 1.792
165 HA TRP 26 HA TRP 26 36.239 1.621 2.843
166 1HB TRP 26 2HB TRP 26 33.393 1.179 2.399
167 2HB TRP 26 1HB TRP 26 34.350 -0.264 2.127
168 HD1 TRP 26 1HD TRP 26 33.248 2.127 4.887
169 HE1 TRP 26 1HE TRP 26 33.862 1.114 7.142
170 HE3 TRP 26 3HE TRP 26 36.068 -1.840 3.319
171 HZ2 TRP 26 2HZ TRP 26 35.334 -1.056 8.163
172 HZ3 TRP 26 3HZ TRP 26 37.056 -3.350 4.994
173 HH2 TRP 26 HH2 TRP 26 36.693 -2.964 7.395
174 H ALA 27 H ALA 27 34.524 1.490 -0.261
175 HA ALA 27 HA ALA 27 36.018 -0.629 -1.385
176 1HB ALA 27 2HB ALA 27 34.058 1.337 -2.282
177 2HB ALA 27 1HB ALA 27 35.261 0.964 -3.519
178 3HB ALA 27 3HB ALA 27 34.301 -0.332 -2.805
179 H MET 28 H MET 28 36.334 2.897 -1.732
180 HA MET 28 HA MET 28 38.571 2.940 -3.386
181 1HB MET 28 2HB MET 28 37.129 4.833 -1.717
182 2HB MET 28 1HB MET 28 38.856 5.133 -1.665
183 1HG MET 28 2HG MET 28 37.504 6.353 -3.471
184 2HG MET 28 1HG MET 28 38.977 5.550 -3.988
185 1HE MET 28 3HE MET 28 36.231 6.634 -5.400
186 2HE MET 28 2HE MET 28 35.292 5.370 -6.189
187 3HE MET 28 1HE MET 28 35.030 5.716 -4.480
188 H VAL 29 H VAL 29 38.340 2.668 0.124
189 HA VAL 29 HA VAL 29 40.993 3.022 0.844
190 HB VAL 29 HB VAL 29 38.784 1.313 1.954
191 1HG1 VAL 29 3HG1 VAL 29 41.636 1.323 2.719
192 2HG1 VAL 29 2HG1 VAL 29 40.472 1.448 4.041
193 3HG1 VAL 29 1HG1 VAL 29 40.406 0.076 2.933
194 1HG2 VAL 29 2HG2 VAL 29 39.125 3.980 2.036
195 2HG2 VAL 29 1HG2 VAL 29 38.326 3.063 3.315
196 3HG2 VAL 29 3HG2 VAL 29 40.023 3.515 3.483
197 H VAL 30 H VAL 30 39.349 0.072 -0.263
198 HA VAL 30 HA VAL 30 41.434 -1.726 0.010
199 HB VAL 30 HB VAL 30 38.940 -2.004 -0.700
200 1HG1 VAL 30 2HG1 VAL 30 39.789 -0.867 -3.008
201 2HG1 VAL 30 1HG1 VAL 30 39.922 -2.581 -3.402
202 3HG1 VAL 30 3HG1 VAL 30 38.376 -1.914 -2.872
203 1HG2 VAL 30 3HG2 VAL 30 41.201 -3.758 -1.634
204 2HG2 VAL 30 2HG2 VAL 30 40.322 -3.850 -0.105
205 3HG2 VAL 30 1HG2 VAL 30 39.506 -4.251 -1.618
206 H VAL 31 H VAL 31 41.019 0.821 -2.294
207 HA VAL 31 HA VAL 31 43.061 -0.195 -4.085
208 HB VAL 31 HB VAL 31 41.359 2.284 -4.064
209 1HG1 VAL 31 1HG1 VAL 31 43.527 2.815 -5.054
210 2HG1 VAL 31 3HG1 VAL 31 43.368 1.441 -6.149
211 3HG1 VAL 31 2HG1 VAL 31 42.250 2.802 -6.273
212 1HG2 VAL 31 2HG2 VAL 31 40.356 0.025 -4.634
213 2HG2 VAL 31 1HG2 VAL 31 40.175 1.282 -5.861
214 3HG2 VAL 31 3HG2 VAL 31 41.398 0.024 -6.059
215 H ILE 32 H ILE 32 42.825 1.837 -1.342
216 HA ILE 32 HA ILE 32 45.248 3.334 -1.897
217 HB ILE 32 HB ILE 32 43.650 3.143 0.653
218 1HG1 ILE 32 2HG1 ILE 32 43.467 5.080 -1.658
219 2HG1 ILE 32 1HG1 ILE 32 42.222 3.959 -1.110
220 1HG2 ILE 32 2HG2 ILE 32 46.135 4.064 0.483
221 2HG2 ILE 32 1HG2 ILE 32 45.295 5.509 -0.080
222 3HG2 ILE 32 3HG2 ILE 32 44.925 4.838 1.509
223 1HD1 ILE 32 2HD1 ILE 32 43.021 5.567 1.113
224 2HD1 ILE 32 1HD1 ILE 32 42.684 6.633 -0.253
225 3HD1 ILE 32 3HD1 ILE 32 41.449 5.507 0.311
226 H VAL 33 H VAL 33 44.253 0.544 -0.008
227 HA VAL 33 HA VAL 33 46.462 0.216 1.635
228 HB VAL 33 HB VAL 33 44.748 -1.877 0.307
229 1HG1 VAL 33 2HG1 VAL 33 47.039 -2.217 1.778
230 2HG1 VAL 33 1HG1 VAL 33 45.758 -2.406 2.974
231 3HG1 VAL 33 3HG1 VAL 33 45.775 -3.422 1.533
232 1HG2 VAL 33 1HG2 VAL 33 44.208 0.082 2.391
233 2HG2 VAL 33 3HG2 VAL 33 43.092 -0.961 1.503
234 3HG2 VAL 33 2HG2 VAL 33 43.927 -1.575 2.932
235 H GLY 34 H GLY 34 46.013 -0.480 -1.765
236 1HA GLY 34 2HA GLY 34 48.310 -2.152 -2.087
237 2HA GLY 34 1HA GLY 34 47.412 -1.351 -3.380
238 H ALA 35 H ALA 35 47.683 1.253 -2.977
239 HA ALA 35 HA ALA 35 50.159 1.980 -3.934
240 1HB ALA 35 2HB ALA 35 47.878 3.327 -3.388
241 2HB ALA 35 1HB ALA 35 48.917 3.934 -2.096
242 3HB ALA 35 3HB ALA 35 49.405 4.119 -3.782
243 H THR 36 H THR 36 49.172 1.355 -0.668
244 HA THR 36 HA THR 36 51.427 2.501 0.659
245 HB THR 36 HB THR 36 49.328 0.484 1.441
246 HG1 THR 36 HG1 THR 36 48.752 2.718 1.206
247 1HG2 THR 36 2HG2 THR 36 51.578 1.591 3.118
248 2HG2 THR 36 1HG2 THR 36 50.131 0.837 3.792
249 3HG2 THR 36 3HG2 THR 36 51.223 -0.103 2.773
250 H ILE 37 H ILE 37 50.618 -0.707 -0.579
251 HA ILE 37 HA ILE 37 52.850 -2.085 0.478
252 HB ILE 37 HB ILE 37 51.231 -2.642 -2.000
253 1HG1 ILE 37 2HG1 ILE 37 50.945 -3.564 0.844
254 2HG1 ILE 37 1HG1 ILE 37 49.823 -2.555 -0.055
255 1HG2 ILE 37 1HG2 ILE 37 53.469 -3.787 -1.860
256 2HG2 ILE 37 3HG2 ILE 37 52.883 -4.584 -0.398
257 3HG2 ILE 37 2HG2 ILE 37 52.074 -4.867 -1.941
258 1HD1 ILE 37 1HD1 ILE 37 49.927 -4.692 -1.699
259 2HD1 ILE 37 3HD1 ILE 37 50.235 -5.488 -0.154
260 3HD1 ILE 37 2HD1 ILE 37 48.761 -4.546 -0.382
261 H GLY 38 H GLY 38 52.379 -0.128 -2.382
262 1HA GLY 38 2HA GLY 38 54.661 -0.850 -3.857
263 2HA GLY 38 1HA GLY 38 53.840 0.710 -3.940
264 H ILE 39 H ILE 39 54.263 2.165 -2.060
265 HA ILE 39 HA ILE 39 56.897 2.951 -1.950
266 HB ILE 39 HB ILE 39 54.741 3.333 0.126
267 1HG1 ILE 39 2HG1 ILE 39 55.377 5.570 -1.636
268 2HG1 ILE 39 1HG1 ILE 39 54.784 4.169 -2.515
269 1HG2 ILE 39 3HG2 ILE 39 57.499 4.261 -0.055
270 2HG2 ILE 39 2HG2 ILE 39 56.328 5.563 0.158
271 3HG2 ILE 39 1HG2 ILE 39 56.395 4.238 1.322
272 1HD1 ILE 39 1HD1 ILE 39 53.118 4.378 -0.276
273 2HD1 ILE 39 3HD1 ILE 39 53.326 6.030 -0.858
274 3HD1 ILE 39 2HD1 ILE 39 52.711 4.782 -1.945
275 H LYS 40 H LYS 40 55.167 0.826 0.316
276 HA LYS 40 HA LYS 40 57.153 0.514 2.233
277 1HB LYS 40 2HB LYS 40 54.656 -0.400 1.955
278 2HB LYS 40 1HB LYS 40 55.533 -1.839 1.467
279 1HG LYS 40 2HG LYS 40 55.550 -2.266 3.677
280 2HG LYS 40 1HG LYS 40 56.909 -1.146 3.703
281 1HD LYS 40 2HD LYS 40 54.010 -0.360 4.092
282 2HD LYS 40 1HD LYS 40 55.121 -0.664 5.420
283 1HE LYS 40 2HE LYS 40 56.376 1.293 4.950
284 2HE LYS 40 1HE LYS 40 55.706 1.442 3.319
285 1HZ LYS 40 3HZ LYS 40 53.532 1.527 4.952
286 2HZ LYS 40 2HZ LYS 40 54.700 2.425 5.798
287 3HZ LYS 40 1HZ LYS 40 54.282 2.853 4.207
288 H LEU 41 H LEU 41 56.476 -1.494 -0.622
289 HA LEU 41 HA LEU 41 58.609 -3.282 -0.348
290 1HB LEU 41 2HB LEU 41 56.971 -2.329 -2.666
291 2HB LEU 41 1HB LEU 41 58.331 -3.408 -2.939
292 HG LEU 41 HG LEU 41 56.059 -3.961 -1.025
293 1HD1 LEU 41 1HD1 LEU 41 56.495 -4.897 -3.858
294 2HD1 LEU 41 3HD1 LEU 41 55.343 -5.635 -2.744
295 3HD1 LEU 41 2HD1 LEU 41 55.143 -3.951 -3.232
296 1HD2 LEU 41 1HD2 LEU 41 58.590 -5.148 -1.205
297 2HD2 LEU 41 3HD2 LEU 41 57.181 -5.767 -0.342
298 3HD2 LEU 41 2HD2 LEU 41 57.493 -6.273 -2.003
299 H PHE 42 H PHE 42 58.499 -0.027 -1.569
300 HA PHE 42 HA PHE 42 60.936 -0.040 -3.023
301 1HB PHE 42 2HB PHE 42 58.985 1.680 -3.001
302 2HB PHE 42 1HB PHE 42 59.858 2.396 -1.653
303 HD1 PHE 42 HD1 PHE 42 62.512 2.609 -2.161
304 HD2 PHE 42 HD2 PHE 42 59.390 2.563 -5.075
305 HE1 PHE 42 HE1 PHE 42 63.980 3.785 -3.754
306 HE2 PHE 42 HE2 PHE 42 60.860 3.738 -6.668
307 HZ PHE 42 HZ PHE 42 63.155 4.348 -6.006
308 H LYS 43 H LYS 43 60.129 0.848 0.314
309 HA LYS 43 HA LYS 43 62.640 1.811 1.086
310 1HB LYS 43 2HB LYS 43 60.422 0.515 2.646
311 2HB LYS 43 1HB LYS 43 61.858 1.181 3.416
312 1HG LYS 43 2HG LYS 43 60.388 2.908 1.468
313 2HG LYS 43 1HG LYS 43 59.641 2.639 3.031
314 1HD LYS 43 2HD LYS 43 61.103 3.966 4.119
315 2HD LYS 43 1HD LYS 43 62.486 3.381 3.202
316 1HE LYS 43 2HE LYS 43 61.566 5.876 2.971
317 2HE LYS 43 1HE LYS 43 62.304 5.022 1.621
318 1HZ LYS 43 3HZ LYS 43 59.415 4.752 2.049
319 2HZ LYS 43 2HZ LYS 43 60.003 6.201 1.383
320 3HZ LYS 43 1HZ LYS 43 60.299 4.722 0.603
321 H LYS 44 H LYS 44 61.672 -1.396 0.371
322 HA LYS 44 HA LYS 44 63.765 -2.588 2.007
323 1HB LYS 44 2HB LYS 44 61.253 -3.432 0.932
324 2HB LYS 44 1HB LYS 44 62.491 -4.452 0.238
325 1HG LYS 44 2HG LYS 44 62.863 -5.571 2.178
326 2HG LYS 44 1HG LYS 44 62.666 -4.124 3.176
327 1HD LYS 44 2HD LYS 44 60.324 -4.277 3.164
328 2HD LYS 44 1HD LYS 44 60.308 -5.385 1.796
329 1HE LYS 44 2HE LYS 44 60.076 -6.094 4.470
330 2HE LYS 44 1HE LYS 44 60.520 -7.209 3.180
331 1HZ LYS 44 2HZ LYS 44 62.545 -5.589 4.607
332 2HZ LYS 44 1HZ LYS 44 62.013 -7.086 5.210
333 3HZ LYS 44 3HZ LYS 44 62.769 -7.004 3.695
334 H PHE 45 H PHE 45 62.802 -2.847 -1.448
335 HA PHE 45 HA PHE 45 65.495 -3.655 -2.154
336 1HB PHE 45 2HB PHE 45 62.878 -3.467 -3.550
337 2HB PHE 45 1HB PHE 45 64.324 -3.296 -4.519
338 HD1 PHE 45 HD2 PHE 45 66.174 -5.098 -4.253
339 HD2 PHE 45 HD1 PHE 45 62.090 -5.676 -3.051
340 HE1 PHE 45 HE2 PHE 45 66.481 -7.536 -4.315
341 HE2 PHE 45 HE1 PHE 45 62.425 -8.105 -3.123
342 HZ PHE 45 HZ PHE 45 64.613 -9.038 -3.754
343 H THR 46 H THR 46 63.401 -0.851 -2.666
344 HA THR 46 HA THR 46 63.840 1.202 -3.632
345 HB THR 46 HB THR 46 64.643 1.607 -1.436
346 HG1 THR 46 HG1 THR 46 65.665 3.330 -2.066
347 1HG2 THR 46 1HG2 THR 46 67.177 0.211 -2.304
348 2HG2 THR 46 3HG2 THR 46 66.993 1.098 -0.789
349 3HG2 THR 46 2HG2 THR 46 66.020 -0.344 -1.091
350 H SER 47 H SER 47 64.803 -1.061 -5.201
351 HA SER 47 HA SER 47 65.983 -1.415 -7.131
352 1HB SER 47 2HB SER 47 65.243 0.909 -7.635
353 2HB SER 47 1HB SER 47 66.729 1.503 -6.903
354 HG SER 47 HG SER 47 66.331 0.557 -9.391
355 H LYS 48 H LYS 48 67.219 -2.351 -4.988
356 HA LYS 48 HA LYS 48 69.657 -1.464 -4.140
357 1HB LYS 48 2HB LYS 48 68.499 -4.172 -4.596
358 2HB LYS 48 1HB LYS 48 70.221 -4.063 -4.250
359 1HG LYS 48 2HG LYS 48 68.243 -2.637 -2.492
360 2HG LYS 48 1HG LYS 48 68.519 -4.364 -2.292
361 1HD LYS 48 2HD LYS 48 70.512 -4.046 -1.307
362 2HD LYS 48 1HD LYS 48 71.009 -2.853 -2.502
363 1HE LYS 48 2HE LYS 48 69.105 -2.263 -0.230
364 2HE LYS 48 1HE LYS 48 70.841 -1.983 -0.149
365 1HZ LYS 48 1HZ LYS 48 70.601 -0.539 -2.119
366 2HZ LYS 48 3HZ LYS 48 68.918 -0.723 -2.022
367 3HZ LYS 48 2HZ LYS 48 69.763 0.034 -0.758
368 H ALA 49 H ALA 49 69.177 -3.637 -6.927
369 HA ALA 49 HA ALA 49 70.461 -4.050 -8.777
370 1HB ALA 49 1HB ALA 49 69.957 -1.454 -8.848
371 2HB ALA 49 3HB ALA 49 71.698 -1.342 -8.581
372 3HB ALA 49 2HB ALA 49 71.075 -2.195 -9.996
373 H SER 50 H SER 50 71.656 -5.495 -7.255
374 HA SER 50 HA SER 50 74.098 -4.752 -6.061
375 1HB SER 50 2HB SER 50 72.541 -6.980 -6.029
376 2HB SER 50 1HB SER 50 73.880 -7.520 -7.036
377 HG SER 50 HG SER 50 74.360 -6.151 -4.608
No H/Q in entry = 377
Start of MODEL 15
1 1H ALA 1 3H ALA 1 34.916 -28.967 -13.645
2 2H ALA 1 2H ALA 1 35.923 -29.417 -12.354
3 3H ALA 1 1H ALA 1 36.482 -28.326 -13.530
4 HA ALA 1 HA ALA 1 36.405 -30.026 -15.216
5 1HB ALA 1 3HB ALA 1 37.877 -30.895 -12.708
6 2HB ALA 1 2HB ALA 1 38.211 -31.489 -14.335
7 3HB ALA 1 1HB ALA 1 38.497 -29.791 -13.937
8 H GLU 2 H GLU 2 34.707 -31.250 -15.775
9 HA GLU 2 HA GLU 2 33.337 -33.089 -15.885
10 1HB GLU 2 2HB GLU 2 35.606 -34.134 -15.020
11 2HB GLU 2 1HB GLU 2 34.673 -34.359 -13.542
12 1HG GLU 2 2HG GLU 2 33.729 -36.178 -14.434
13 2HG GLU 2 1HG GLU 2 33.033 -35.178 -15.709
14 H GLY 3 H GLY 3 32.405 -30.906 -14.519
15 1HA GLY 3 2HA GLY 3 30.251 -31.898 -13.061
16 2HA GLY 3 1HA GLY 3 31.482 -31.417 -11.895
17 H ASP 4 H ASP 4 29.332 -30.037 -11.558
18 HA ASP 4 HA ASP 4 29.969 -27.371 -12.571
19 1HB ASP 4 2HB ASP 4 28.136 -28.647 -13.982
20 2HB ASP 4 1HB ASP 4 27.095 -28.172 -12.639
21 H ASP 5 H ASP 5 30.589 -27.984 -10.112
22 HA ASP 5 HA ASP 5 29.112 -26.256 -8.483
23 1HB ASP 5 2HB ASP 5 27.547 -28.318 -8.725
24 2HB ASP 5 1HB ASP 5 28.670 -29.087 -7.604
25 HA PRO 6 HA PRO 6 33.210 -27.237 -6.793
26 1HB PRO 6 2HB PRO 6 33.820 -24.711 -6.048
27 2HB PRO 6 1HB PRO 6 34.044 -25.320 -7.695
28 1HG PRO 6 2HG PRO 6 31.996 -23.485 -6.629
29 2HG PRO 6 1HG PRO 6 32.641 -23.628 -8.271
30 1HD PRO 6 2HD PRO 6 30.176 -24.625 -7.339
31 2HD PRO 6 1HD PRO 6 30.942 -24.979 -8.897
32 H ALA 7 H ALA 7 30.464 -25.653 -5.387
33 HA ALA 7 HA ALA 7 29.588 -25.739 -3.265
34 1HB ALA 7 2HB ALA 7 31.254 -27.979 -3.355
35 2HB ALA 7 1HB ALA 7 31.707 -27.133 -1.874
36 3HB ALA 7 3HB ALA 7 30.030 -27.617 -2.137
37 H LYS 8 H LYS 8 32.260 -24.158 -4.212
38 HA LYS 8 HA LYS 8 32.605 -22.841 -1.601
39 1HB LYS 8 2HB LYS 8 34.720 -23.657 -1.829
40 2HB LYS 8 1HB LYS 8 34.572 -23.855 -3.566
41 1HG LYS 8 2HG LYS 8 35.212 -21.644 -4.009
42 2HG LYS 8 1HG LYS 8 34.832 -21.107 -2.378
43 1HD LYS 8 2HD LYS 8 37.340 -21.436 -3.103
44 2HD LYS 8 1HD LYS 8 36.811 -21.867 -1.484
45 1HE LYS 8 2HE LYS 8 38.314 -23.544 -2.711
46 2HE LYS 8 1HE LYS 8 36.852 -24.185 -1.964
47 1HZ LYS 8 2HZ LYS 8 36.298 -23.348 -4.607
48 2HZ LYS 8 1HZ LYS 8 37.638 -24.390 -4.614
49 3HZ LYS 8 3HZ LYS 8 36.174 -24.902 -3.930
50 H ALA 9 H ALA 9 32.989 -22.357 -5.119
51 HA ALA 9 HA ALA 9 32.993 -19.583 -5.182
52 1HB ALA 9 3HB ALA 9 33.445 -21.055 -7.126
53 2HB ALA 9 2HB ALA 9 31.722 -21.426 -7.214
54 3HB ALA 9 1HB ALA 9 32.286 -19.777 -7.498
55 H ALA 10 H ALA 10 30.154 -21.639 -5.860
56 HA ALA 10 HA ALA 10 28.235 -19.617 -5.818
57 1HB ALA 10 3HB ALA 10 28.233 -22.560 -5.556
58 2HB ALA 10 2HB ALA 10 26.816 -21.733 -4.902
59 3HB ALA 10 1HB ALA 10 27.263 -21.514 -6.596
60 H PHE 11 H PHE 11 29.157 -21.829 -3.180
61 HA PHE 11 HA PHE 11 27.541 -20.816 -1.168
62 1HB PHE 11 2HB PHE 11 29.276 -22.803 -1.242
63 2HB PHE 11 1HB PHE 11 30.343 -21.608 -0.526
64 HD1 PHE 11 HD1 PHE 11 27.013 -23.233 -0.102
65 HD2 PHE 11 HD2 PHE 11 30.238 -21.154 1.807
66 HE1 PHE 11 HE1 PHE 11 26.008 -23.672 2.099
67 HE2 PHE 11 HE2 PHE 11 29.219 -21.602 3.996
68 HZ PHE 11 HZ PHE 11 27.108 -22.859 4.147
69 H ASN 12 H ASN 12 30.570 -19.601 -2.444
70 HA ASN 12 HA ASN 12 30.971 -17.619 -0.405
71 1HB ASN 12 2HB ASN 12 32.846 -18.508 -1.709
72 2HB ASN 12 1HB ASN 12 32.142 -17.848 -3.185
73 1HD2 ASN 12 2HD2 ASN 12 34.554 -15.578 -1.033
74 2HD2 ASN 12 1HD2 ASN 12 34.450 -17.302 -0.971
75 H SER 13 H SER 13 29.512 -17.713 -3.605
76 HA SER 13 HA SER 13 29.098 -14.928 -3.919
77 1HB SER 13 2HB SER 13 27.082 -16.644 -5.150
78 2HB SER 13 1HB SER 13 28.227 -15.532 -5.899
79 HG SER 13 HG SER 13 29.642 -17.119 -6.142
80 H LEU 14 H LEU 14 27.389 -17.422 -2.201
81 HA LEU 14 HA LEU 14 24.914 -16.024 -1.926
82 1HB LEU 14 2HB LEU 14 24.948 -18.421 -1.703
83 2HB LEU 14 1HB LEU 14 26.132 -18.327 -0.404
84 HG LEU 14 HG LEU 14 24.498 -17.155 1.016
85 1HD1 LEU 14 2HD1 LEU 14 22.743 -17.396 -1.414
86 2HD1 LEU 14 1HD1 LEU 14 22.041 -17.301 0.199
87 3HD1 LEU 14 3HD1 LEU 14 23.053 -15.985 -0.398
88 1HD2 LEU 14 2HD2 LEU 14 23.653 -19.830 -0.105
89 2HD2 LEU 14 1HD2 LEU 14 24.522 -19.493 1.396
90 3HD2 LEU 14 3HD2 LEU 14 22.816 -19.067 1.246
91 H GLN 15 H GLN 15 27.920 -16.093 -0.156
92 HA GLN 15 HA GLN 15 26.793 -14.614 2.088
93 1HB GLN 15 2HB GLN 15 28.405 -16.260 2.716
94 2HB GLN 15 1HB GLN 15 29.552 -15.701 1.504
95 1HG GLN 15 2HG GLN 15 30.106 -13.764 2.740
96 2HG GLN 15 1HG GLN 15 28.675 -13.892 3.756
97 1HE2 GLN 15 2HD2 GLN 15 31.892 -16.334 4.565
98 2HE2 GLN 15 1HD2 GLN 15 31.651 -15.729 2.961
99 H ALA 16 H ALA 16 29.202 -14.114 -0.476
100 HA ALA 16 HA ALA 16 29.956 -11.509 0.143
101 1HB ALA 16 1HB ALA 16 30.718 -13.218 -1.752
102 2HB ALA 16 3HB ALA 16 29.642 -12.213 -2.724
103 3HB ALA 16 2HB ALA 16 31.010 -11.482 -1.886
104 H SER 17 H SER 17 27.003 -12.696 -1.122
105 HA SER 17 HA SER 17 26.027 -10.417 -2.456
106 1HB SER 17 2HB SER 17 24.638 -12.675 -1.022
107 2HB SER 17 1HB SER 17 23.764 -11.410 -1.880
108 HG SER 17 HG SER 17 25.297 -13.516 -2.862
109 H ALA 18 H ALA 18 25.565 -11.514 0.902
110 HA ALA 18 HA ALA 18 24.049 -9.312 1.781
111 1HB ALA 18 1HB ALA 18 24.256 -11.428 3.039
112 2HB ALA 18 3HB ALA 18 25.944 -11.042 3.384
113 3HB ALA 18 2HB ALA 18 24.656 -10.027 4.037
114 H THR 19 H THR 19 27.519 -9.887 1.639
115 HA THR 19 HA THR 19 28.050 -7.200 2.695
116 HB THR 19 HB THR 19 29.271 -9.263 3.536
117 HG1 THR 19 HG1 THR 19 30.803 -7.917 4.080
118 1HG2 THR 19 1HG2 THR 19 29.925 -9.512 0.752
119 2HG2 THR 19 3HG2 THR 19 31.407 -9.218 1.661
120 3HG2 THR 19 2HG2 THR 19 30.369 -10.579 2.086
121 H GLU 20 H GLU 20 26.895 -7.716 0.029
122 HA GLU 20 HA GLU 20 28.997 -7.086 -1.854
123 1HB GLU 20 2HB GLU 20 26.817 -8.505 -2.205
124 2HB GLU 20 1HB GLU 20 26.093 -6.934 -2.522
125 1HG GLU 20 2HG GLU 20 28.032 -6.579 -4.183
126 2HG GLU 20 1HG GLU 20 28.287 -8.322 -4.051
127 H TYR 21 H TYR 21 26.724 -5.412 0.050
128 HA TYR 21 HA TYR 21 26.879 -2.956 -1.516
129 1HB TYR 21 2HB TYR 21 25.288 -3.883 0.829
130 2HB TYR 21 1HB TYR 21 25.533 -2.156 0.618
131 HD1 TYR 21 HD2 TYR 21 24.810 -1.078 -1.544
132 HD2 TYR 21 HD1 TYR 21 23.728 -5.079 -0.497
133 HE1 TYR 21 HE2 TYR 21 22.994 -1.028 -3.206
134 HE2 TYR 21 HE1 TYR 21 21.916 -5.018 -2.161
135 HH TYR 21 HH TYR 21 20.927 -2.121 -3.711
136 H ILE 22 H ILE 22 28.333 -4.434 1.245
137 HA ILE 22 HA ILE 22 29.482 -1.962 2.268
138 HB ILE 22 HB ILE 22 29.604 -4.872 3.069
139 1HG1 ILE 22 2HG1 ILE 22 28.379 -4.219 5.041
140 2HG1 ILE 22 1HG1 ILE 22 28.626 -2.497 4.711
141 1HG2 ILE 22 2HG2 ILE 22 31.341 -2.614 4.057
142 2HG2 ILE 22 1HG2 ILE 22 30.919 -3.950 5.139
143 3HG2 ILE 22 3HG2 ILE 22 31.783 -4.266 3.634
144 1HD1 ILE 22 1HD1 ILE 22 27.112 -4.179 2.737
145 2HD1 ILE 22 3HD1 ILE 22 26.325 -3.585 4.195
146 3HD1 ILE 22 2HD1 ILE 22 27.015 -2.446 3.042
147 H GLY 23 H GLY 23 30.579 -4.912 0.655
148 1HA GLY 23 2HA GLY 23 33.263 -4.774 0.626
149 2HA GLY 23 1HA GLY 23 32.347 -5.227 -0.807
150 H TYR 24 H TYR 24 31.138 -2.588 -1.144
151 HA TYR 24 HA TYR 24 32.983 -1.415 -2.879
152 1HB TYR 24 2HB TYR 24 30.475 -0.443 -1.575
153 2HB TYR 24 1HB TYR 24 31.456 0.664 -2.520
154 HD1 TYR 24 HD1 TYR 24 32.090 -0.086 -4.917
155 HD2 TYR 24 HD2 TYR 24 28.893 -1.826 -2.667
156 HE1 TYR 24 HE1 TYR 24 31.069 -0.925 -6.994
157 HE2 TYR 24 HE2 TYR 24 27.888 -2.655 -4.748
158 HH TYR 24 HH TYR 24 29.386 -3.021 -7.508
159 H ALA 25 H ALA 25 32.537 -0.995 0.548
160 HA ALA 25 HA ALA 25 33.973 1.468 0.771
161 1HB ALA 25 2HB ALA 25 32.326 0.082 2.423
162 2HB ALA 25 1HB ALA 25 33.901 -0.301 3.122
163 3HB ALA 25 3HB ALA 25 33.398 1.381 2.951
164 H TRP 26 H TRP 26 35.052 -1.612 0.017
165 HA TRP 26 HA TRP 26 37.569 -1.407 1.465
166 1HB TRP 26 2HB TRP 26 36.076 -3.496 0.079
167 2HB TRP 26 1HB TRP 26 37.799 -3.529 -0.251
168 HD1 TRP 26 1HD TRP 26 35.288 -3.938 2.618
169 HE1 TRP 26 1HE TRP 26 36.479 -5.034 4.583
170 HE3 TRP 26 3HE TRP 26 40.085 -3.855 0.864
171 HZ2 TRP 26 2HZ TRP 26 39.089 -5.777 5.332
172 HZ3 TRP 26 3HZ TRP 26 41.894 -4.776 2.262
173 HH2 TRP 26 HH2 TRP 26 41.403 -5.729 4.477
174 H ALA 27 H ALA 27 36.499 -1.625 -1.928
175 HA ALA 27 HA ALA 27 38.914 -1.373 -3.216
176 1HB ALA 27 2HB ALA 27 36.116 -0.730 -3.870
177 2HB ALA 27 1HB ALA 27 37.321 0.137 -4.824
178 3HB ALA 27 3HB ALA 27 37.320 -1.628 -4.799
179 H MET 28 H MET 28 37.168 1.041 -1.439
180 HA MET 28 HA MET 28 38.621 3.297 -2.489
181 1HB MET 28 2HB MET 28 36.488 2.835 -0.516
182 2HB MET 28 1HB MET 28 37.591 4.124 -0.085
183 1HG MET 28 2HG MET 28 35.933 3.907 -2.604
184 2HG MET 28 1HG MET 28 35.739 5.066 -1.299
185 1HE MET 28 1HE MET 28 36.205 4.784 -4.465
186 2HE MET 28 3HE MET 28 36.357 6.546 -4.550
187 3HE MET 28 2HE MET 28 37.685 5.517 -5.084
188 H VAL 29 H VAL 29 38.714 1.352 0.473
189 HA VAL 29 HA VAL 29 40.827 2.768 1.715
190 HB VAL 29 HB VAL 29 39.900 -0.082 2.057
191 1HG1 VAL 29 2HG1 VAL 29 41.654 1.658 3.786
192 2HG1 VAL 29 1HG1 VAL 29 40.949 0.123 4.302
193 3HG1 VAL 29 3HG1 VAL 29 42.107 0.159 2.972
194 1HG2 VAL 29 3HG2 VAL 29 38.710 2.429 2.755
195 2HG2 VAL 29 2HG2 VAL 29 38.097 0.796 3.022
196 3HG2 VAL 29 1HG2 VAL 29 39.143 1.554 4.225
197 H VAL 30 H VAL 30 40.705 0.305 -0.731
198 HA VAL 30 HA VAL 30 43.402 -0.592 -0.486
199 HB VAL 30 HB VAL 30 41.383 -0.765 -2.719
200 1HG1 VAL 30 1HG1 VAL 30 44.153 -1.831 -2.448
201 2HG1 VAL 30 3HG1 VAL 30 42.941 -2.768 -3.322
202 3HG1 VAL 30 2HG1 VAL 30 43.346 -1.135 -3.853
203 1HG2 VAL 30 1HG2 VAL 30 40.911 -1.887 -0.480
204 2HG2 VAL 30 3HG2 VAL 30 40.855 -2.915 -1.912
205 3HG2 VAL 30 2HG2 VAL 30 42.267 -2.955 -0.853
206 H VAL 31 H VAL 31 41.743 1.937 -2.264
207 HA VAL 31 HA VAL 31 43.974 2.584 -3.942
208 HB VAL 31 HB VAL 31 41.370 3.965 -3.337
209 1HG1 VAL 31 2HG1 VAL 31 43.721 4.912 -4.781
210 2HG1 VAL 31 1HG1 VAL 31 42.234 4.973 -5.731
211 3HG1 VAL 31 3HG1 VAL 31 42.321 5.800 -4.177
212 1HG2 VAL 31 1HG2 VAL 31 41.336 1.767 -4.560
213 2HG2 VAL 31 3HG2 VAL 31 40.638 3.122 -5.452
214 3HG2 VAL 31 2HG2 VAL 31 42.259 2.544 -5.848
215 H ILE 32 H ILE 32 42.939 3.411 -0.782
216 HA ILE 32 HA ILE 32 44.596 5.818 -0.657
217 HB ILE 32 HB ILE 32 42.871 4.495 1.432
218 1HG1 ILE 32 2HG1 ILE 32 42.347 6.950 -0.250
219 2HG1 ILE 32 1HG1 ILE 32 41.630 5.367 -0.527
220 1HG2 ILE 32 2HG2 ILE 32 44.757 5.897 2.302
221 2HG2 ILE 32 1HG2 ILE 32 44.049 7.273 1.452
222 3HG2 ILE 32 3HG2 ILE 32 43.149 6.477 2.745
223 1HD1 ILE 32 2HD1 ILE 32 40.861 5.585 1.969
224 2HD1 ILE 32 1HD1 ILE 32 41.131 7.308 1.702
225 3HD1 ILE 32 3HD1 ILE 32 39.970 6.432 0.702
226 H VAL 33 H VAL 33 44.448 2.545 0.669
227 HA VAL 33 HA VAL 33 46.825 2.884 2.260
228 HB VAL 33 HB VAL 33 45.005 0.573 1.624
229 1HG1 VAL 33 1HG1 VAL 33 47.680 0.548 2.738
230 2HG1 VAL 33 3HG1 VAL 33 46.487 -0.166 3.824
231 3HG1 VAL 33 2HG1 VAL 33 46.670 -0.785 2.181
232 1HG2 VAL 33 3HG2 VAL 33 44.491 2.614 3.240
233 2HG2 VAL 33 2HG2 VAL 33 43.988 0.967 3.629
234 3HG2 VAL 33 1HG2 VAL 33 45.446 1.641 4.361
235 H GLY 34 H GLY 34 45.958 1.739 -0.906
236 1HA GLY 34 2HA GLY 34 48.173 0.084 -1.448
237 2HA GLY 34 1HA GLY 34 47.187 0.903 -2.659
238 H ALA 35 H ALA 35 47.648 3.549 -2.120
239 HA ALA 35 HA ALA 35 49.982 4.164 -3.457
240 1HB ALA 35 1HB ALA 35 48.275 5.704 -1.532
241 2HB ALA 35 3HB ALA 35 49.772 6.413 -2.143
242 3HB ALA 35 2HB ALA 35 48.495 5.941 -3.268
243 H THR 36 H THR 36 49.535 3.343 -0.118
244 HA THR 36 HA THR 36 52.165 4.234 0.723
245 HB THR 36 HB THR 36 49.874 2.799 2.045
246 HG1 THR 36 HG1 THR 36 49.609 4.696 3.035
247 1HG2 THR 36 1HG2 THR 36 52.692 2.902 2.900
248 2HG2 THR 36 3HG2 THR 36 51.507 3.362 4.127
249 3HG2 THR 36 2HG2 THR 36 51.407 1.778 3.351
250 H ILE 37 H ILE 37 50.517 1.071 0.389
251 HA ILE 37 HA ILE 37 52.691 -0.562 0.983
252 HB ILE 37 HB ILE 37 50.476 -1.047 -0.998
253 1HG1 ILE 37 2HG1 ILE 37 50.719 -1.780 1.907
254 2HG1 ILE 37 1HG1 ILE 37 49.684 -0.516 1.256
255 1HG2 ILE 37 2HG2 ILE 37 52.475 -2.901 0.270
256 2HG2 ILE 37 1HG2 ILE 37 50.957 -3.469 -0.430
257 3HG2 ILE 37 3HG2 ILE 37 52.149 -2.657 -1.448
258 1HD1 ILE 37 2HD1 ILE 37 49.457 -3.349 0.276
259 2HD1 ILE 37 1HD1 ILE 37 48.639 -2.835 1.754
260 3HD1 ILE 37 3HD1 ILE 37 48.256 -2.057 0.217
261 H GLY 38 H GLY 38 51.965 1.274 -1.874
262 1HA GLY 38 2HA GLY 38 53.569 0.038 -3.795
263 2HA GLY 38 1HA GLY 38 53.207 1.766 -3.739
264 H ILE 39 H ILE 39 54.351 2.642 -1.550
265 HA ILE 39 HA ILE 39 57.107 2.772 -2.233
266 HB ILE 39 HB ILE 39 55.571 3.753 0.173
267 1HG1 ILE 39 2HG1 ILE 39 56.610 5.647 -1.818
268 2HG1 ILE 39 1HG1 ILE 39 55.363 4.565 -2.426
269 1HG2 ILE 39 3HG2 ILE 39 58.092 3.460 0.441
270 2HG2 ILE 39 2HG2 ILE 39 58.244 4.739 -0.765
271 3HG2 ILE 39 1HG2 ILE 39 57.428 5.061 0.766
272 1HD1 ILE 39 2HD1 ILE 39 54.760 5.702 0.208
273 2HD1 ILE 39 1HD1 ILE 39 54.888 6.899 -1.081
274 3HD1 ILE 39 3HD1 ILE 39 53.742 5.566 -1.230
275 H LYS 40 H LYS 40 55.457 1.495 0.682
276 HA LYS 40 HA LYS 40 57.629 0.463 2.021
277 1HB LYS 40 2HB LYS 40 54.821 0.167 2.173
278 2HB LYS 40 1HB LYS 40 55.511 -1.443 2.142
279 1HG LYS 40 2HG LYS 40 55.622 -1.108 4.376
280 2HG LYS 40 1HG LYS 40 57.180 -0.424 3.933
281 1HD LYS 40 2HD LYS 40 54.601 1.095 4.420
282 2HD LYS 40 1HD LYS 40 55.992 1.046 5.490
283 1HE LYS 40 2HE LYS 40 57.276 2.421 4.097
284 2HE LYS 40 1HE LYS 40 56.284 2.077 2.670
285 1HZ LYS 40 2HZ LYS 40 54.443 3.232 3.967
286 2HZ LYS 40 1HZ LYS 40 55.687 3.844 4.949
287 3HZ LYS 40 3HZ LYS 40 55.669 4.196 3.290
288 H LEU 41 H LEU 41 55.969 -0.869 -0.763
289 HA LEU 41 HA LEU 41 57.134 -3.428 -0.782
290 1HB LEU 41 2HB LEU 41 55.852 -1.659 -2.804
291 2HB LEU 41 1HB LEU 41 56.760 -3.049 -3.387
292 HG LEU 41 HG LEU 41 54.469 -3.093 -1.415
293 1HD1 LEU 41 3HD1 LEU 41 54.342 -2.884 -4.139
294 2HD1 LEU 41 2HD1 LEU 41 54.241 -4.629 -3.893
295 3HD1 LEU 41 1HD1 LEU 41 53.078 -3.559 -3.109
296 1HD2 LEU 41 1HD2 LEU 41 56.491 -5.119 -2.113
297 2HD2 LEU 41 3HD2 LEU 41 55.458 -4.985 -0.688
298 3HD2 LEU 41 2HD2 LEU 41 54.820 -5.681 -2.179
299 H PHE 42 H PHE 42 58.242 -0.323 -2.024
300 HA PHE 42 HA PHE 42 60.477 -1.268 -3.476
301 1HB PHE 42 2HB PHE 42 59.484 0.974 -3.756
302 2HB PHE 42 1HB PHE 42 60.073 1.417 -2.160
303 HD1 PHE 42 HD2 PHE 42 61.196 0.265 -5.513
304 HD2 PHE 42 HD1 PHE 42 62.230 2.269 -1.888
305 HE1 PHE 42 HE2 PHE 42 63.346 0.946 -6.504
306 HE2 PHE 42 HE1 PHE 42 64.381 2.951 -2.879
307 HZ PHE 42 HZ PHE 42 64.939 2.289 -5.187
308 H LYS 43 H LYS 43 60.257 0.196 -0.237
309 HA LYS 43 HA LYS 43 62.898 0.057 0.533
310 1HB LYS 43 2HB LYS 43 60.365 -0.245 2.114
311 2HB LYS 43 1HB LYS 43 61.957 -0.110 2.862
312 1HG LYS 43 2HG LYS 43 61.555 1.893 0.791
313 2HG LYS 43 1HG LYS 43 60.312 1.981 2.024
314 1HD LYS 43 2HD LYS 43 61.950 2.253 3.783
315 2HD LYS 43 1HD LYS 43 63.270 1.936 2.663
316 1HE LYS 43 2HE LYS 43 61.832 4.428 3.220
317 2HE LYS 43 1HE LYS 43 63.437 4.176 2.539
318 1HZ LYS 43 2HZ LYS 43 62.407 3.703 0.397
319 2HZ LYS 43 1HZ LYS 43 60.866 3.974 1.059
320 3HZ LYS 43 3HZ LYS 43 61.980 5.249 0.955
321 H LYS 44 H LYS 44 60.625 -2.527 0.157
322 HA LYS 44 HA LYS 44 62.215 -4.428 1.688
323 1HB LYS 44 2HB LYS 44 60.021 -4.925 2.043
324 2HB LYS 44 1HB LYS 44 59.511 -4.318 0.487
325 1HG LYS 44 2HG LYS 44 59.158 -6.752 0.749
326 2HG LYS 44 1HG LYS 44 60.206 -6.339 -0.616
327 1HD LYS 44 2HD LYS 44 60.967 -8.344 0.918
328 2HD LYS 44 1HD LYS 44 62.163 -7.111 0.514
329 1HE LYS 44 2HE LYS 44 62.374 -7.548 2.848
330 2HE LYS 44 1HE LYS 44 61.596 -5.976 2.700
331 1HZ LYS 44 3HZ LYS 44 59.479 -7.586 2.761
332 2HZ LYS 44 2HZ LYS 44 60.555 -8.476 3.729
333 3HZ LYS 44 1HZ LYS 44 60.159 -6.876 4.143
334 H PHE 45 H PHE 45 60.791 -4.579 -1.561
335 HA PHE 45 HA PHE 45 62.311 -6.553 -2.686
336 1HB PHE 45 2HB PHE 45 60.929 -4.144 -3.731
337 2HB PHE 45 1HB PHE 45 61.993 -5.012 -4.811
338 HD1 PHE 45 HD1 PHE 45 61.484 -7.343 -5.497
339 HD2 PHE 45 HD2 PHE 45 58.857 -5.137 -2.928
340 HE1 PHE 45 HE1 PHE 45 59.699 -8.985 -5.894
341 HE2 PHE 45 HE2 PHE 45 57.083 -6.789 -3.338
342 HZ PHE 45 HZ PHE 45 57.501 -8.712 -4.818
343 H THR 46 H THR 46 63.281 -3.277 -2.010
344 HA THR 46 HA THR 46 65.662 -3.474 -3.653
345 HB THR 46 HB THR 46 66.046 -1.198 -2.954
346 HG1 THR 46 HG1 THR 46 64.694 -0.221 -1.442
347 1HG2 THR 46 3HG2 THR 46 63.609 -2.126 -4.199
348 2HG2 THR 46 2HG2 THR 46 63.359 -0.575 -3.388
349 3HG2 THR 46 1HG2 THR 46 64.622 -0.738 -4.611
350 H SER 47 H SER 47 64.716 -4.040 -0.386
351 HA SER 47 HA SER 47 67.425 -3.857 0.668
352 1HB SER 47 2HB SER 47 64.717 -4.371 1.813
353 2HB SER 47 1HB SER 47 66.136 -4.898 2.712
354 HG SER 47 HG SER 47 65.192 -2.341 2.194
355 H LYS 48 H LYS 48 65.218 -6.259 -0.538
356 HA LYS 48 HA LYS 48 66.036 -8.604 0.574
357 1HB LYS 48 2HB LYS 48 65.121 -7.865 -2.171
358 2HB LYS 48 1HB LYS 48 65.738 -9.492 -1.906
359 1HG LYS 48 2HG LYS 48 63.661 -8.385 -0.044
360 2HG LYS 48 1HG LYS 48 63.181 -8.980 -1.629
361 1HD LYS 48 2HD LYS 48 64.990 -10.819 -0.275
362 2HD LYS 48 1HD LYS 48 63.525 -10.515 0.657
363 1HE LYS 48 2HE LYS 48 63.529 -11.285 -2.264
364 2HE LYS 48 1HE LYS 48 63.375 -12.446 -0.948
365 1HZ LYS 48 3HZ LYS 48 61.428 -11.077 -0.194
366 2HZ LYS 48 2HZ LYS 48 61.517 -10.264 -1.683
367 3HZ LYS 48 1HZ LYS 48 61.209 -11.934 -1.641
368 H ALA 49 H ALA 49 67.489 -7.241 -2.389
369 HA ALA 49 HA ALA 49 69.550 -7.541 -3.343
370 1HB ALA 49 2HB ALA 49 69.956 -6.660 -0.793
371 2HB ALA 49 1HB ALA 49 70.908 -8.147 -0.804
372 3HB ALA 49 3HB ALA 49 71.235 -6.881 -1.989
373 H SER 50 H SER 50 68.565 -9.602 -4.129
374 HA SER 50 HA SER 50 70.397 -11.728 -3.928
375 1HB SER 50 2HB SER 50 69.135 -11.875 -1.694
376 2HB SER 50 1HB SER 50 67.761 -12.412 -2.651
377 HG SER 50 HG SER 50 69.671 -13.919 -1.760
No H/Q in entry = 377
Start of MODEL 16
1 1H ALA 1 2H ALA 1 24.949 12.305 34.431
2 2H ALA 1 1H ALA 1 23.612 12.503 35.461
3 3H ALA 1 3H ALA 1 23.664 13.320 33.976
4 HA ALA 1 HA ALA 1 25.122 14.882 34.682
5 1HB ALA 1 2HB ALA 1 23.042 14.950 36.111
6 2HB ALA 1 1HB ALA 1 23.922 14.033 37.336
7 3HB ALA 1 3HB ALA 1 24.467 15.651 36.889
8 H GLU 2 H GLU 2 27.118 15.368 35.469
9 HA GLU 2 HA GLU 2 29.250 15.000 36.229
10 1HB GLU 2 2HB GLU 2 27.848 14.865 38.381
11 2HB GLU 2 1HB GLU 2 28.065 13.121 38.256
12 1HG GLU 2 2HG GLU 2 30.485 14.848 38.028
13 2HG GLU 2 1HG GLU 2 29.764 14.638 39.624
14 H GLY 3 H GLY 3 29.539 13.832 34.175
15 1HA GLY 3 2HA GLY 3 31.009 11.504 34.411
16 2HA GLY 3 1HA GLY 3 29.364 10.996 34.029
17 H ASP 4 H ASP 4 32.266 11.683 32.676
18 HA ASP 4 HA ASP 4 31.044 12.481 30.107
19 1HB ASP 4 2HB ASP 4 32.408 14.295 31.017
20 2HB ASP 4 1HB ASP 4 33.783 13.201 31.154
21 H ASP 5 H ASP 5 34.241 11.320 31.083
22 HA ASP 5 HA ASP 5 34.729 9.748 28.849
23 1HB ASP 5 2HB ASP 5 36.449 10.403 30.482
24 2HB ASP 5 1HB ASP 5 35.739 9.298 31.659
25 HA PRO 6 HA PRO 6 31.832 6.461 29.960
26 1HB PRO 6 2HB PRO 6 31.348 5.645 27.422
27 2HB PRO 6 1HB PRO 6 30.546 7.031 28.173
28 1HG PRO 6 2HG PRO 6 32.578 6.982 26.070
29 2HG PRO 6 1HG PRO 6 31.462 8.274 26.530
30 1HD PRO 6 2HD PRO 6 34.242 8.025 27.193
31 2HD PRO 6 1HD PRO 6 33.121 9.331 27.620
32 H ALA 7 H ALA 7 34.415 6.118 27.545
33 HA ALA 7 HA ALA 7 36.147 4.599 27.443
34 1HB ALA 7 2HB ALA 7 35.324 4.192 30.018
35 2HB ALA 7 1HB ALA 7 35.050 2.605 29.297
36 3HB ALA 7 3HB ALA 7 36.655 3.336 29.237
37 H LYS 8 H LYS 8 32.918 3.167 27.869
38 HA LYS 8 HA LYS 8 33.340 1.668 25.381
39 1HB LYS 8 2HB LYS 8 33.695 -0.061 26.844
40 2HB LYS 8 1HB LYS 8 32.698 0.653 28.105
41 1HG LYS 8 2HG LYS 8 31.605 -1.374 27.238
42 2HG LYS 8 1HG LYS 8 30.676 0.068 26.823
43 1HD LYS 8 2HD LYS 8 31.027 -1.703 24.981
44 2HD LYS 8 1HD LYS 8 31.275 -0.013 24.566
45 1HE LYS 8 2HE LYS 8 33.024 -1.666 23.714
46 2HE LYS 8 1HE LYS 8 33.641 -0.251 24.564
47 1HZ LYS 8 2HZ LYS 8 33.129 -2.336 26.403
48 2HZ LYS 8 1HZ LYS 8 34.107 -2.922 25.143
49 3HZ LYS 8 3HZ LYS 8 34.601 -1.571 26.040
50 H ALA 9 H ALA 9 30.888 2.470 27.851
51 HA ALA 9 HA ALA 9 28.538 2.083 26.612
52 1HB ALA 9 1HB ALA 9 29.506 4.144 28.493
53 2HB ALA 9 3HB ALA 9 27.978 4.491 27.681
54 3HB ALA 9 2HB ALA 9 28.154 3.018 28.639
55 H ALA 10 H ALA 10 29.574 5.455 26.549
56 HA ALA 10 HA ALA 10 28.114 6.282 24.384
57 1HB ALA 10 2HB ALA 10 29.678 7.584 26.026
58 2HB ALA 10 1HB ALA 10 30.874 7.375 24.745
59 3HB ALA 10 3HB ALA 10 29.364 8.226 24.412
60 H PHE 11 H PHE 11 31.467 5.083 24.290
61 HA PHE 11 HA PHE 11 32.012 5.371 21.602
62 1HB PHE 11 2HB PHE 11 33.260 4.147 23.735
63 2HB PHE 11 1HB PHE 11 32.938 2.808 22.649
64 HD1 PHE 11 HD2 PHE 11 34.627 6.105 22.938
65 HD2 PHE 11 HD1 PHE 11 34.149 2.554 20.585
66 HE1 PHE 11 HE2 PHE 11 36.556 6.748 21.557
67 HE2 PHE 11 HE1 PHE 11 36.078 3.216 19.213
68 HZ PHE 11 HZ PHE 11 37.282 5.308 19.697
69 H ASN 12 H ASN 12 30.289 2.697 23.176
70 HA ASN 12 HA ASN 12 29.959 1.170 20.786
71 1HB ASN 12 2HB ASN 12 29.783 0.493 23.325
72 2HB ASN 12 1HB ASN 12 28.084 0.910 23.093
73 1HD2 ASN 12 2HD2 ASN 12 29.083 -2.694 22.129
74 2HD2 ASN 12 1HD2 ASN 12 29.683 -1.689 23.400
75 H SER 13 H SER 13 28.250 3.822 22.203
76 HA SER 13 HA SER 13 25.726 3.423 20.955
77 1HB SER 13 2HB SER 13 26.554 6.183 21.485
78 2HB SER 13 1HB SER 13 25.134 5.296 22.048
79 HG SER 13 HG SER 13 26.195 5.271 23.880
80 H LEU 14 H LEU 14 28.718 4.244 19.618
81 HA LEU 14 HA LEU 14 27.500 5.885 17.514
82 1HB LEU 14 2HB LEU 14 30.360 5.312 18.283
83 2HB LEU 14 1HB LEU 14 29.963 5.976 16.709
84 HG LEU 14 HG LEU 14 30.588 7.671 18.379
85 1HD1 LEU 14 2HD1 LEU 14 28.682 7.890 16.483
86 2HD1 LEU 14 1HD1 LEU 14 27.732 8.305 17.911
87 3HD1 LEU 14 3HD1 LEU 14 29.176 9.234 17.512
88 1HD2 LEU 14 3HD2 LEU 14 28.058 6.815 19.797
89 2HD2 LEU 14 2HD2 LEU 14 29.710 6.660 20.403
90 3HD2 LEU 14 1HD2 LEU 14 28.996 8.258 20.180
91 H GLN 15 H GLN 15 29.573 3.058 17.867
92 HA GLN 15 HA GLN 15 29.819 2.099 15.349
93 1HB GLN 15 2HB GLN 15 30.904 0.975 17.086
94 2HB GLN 15 1HB GLN 15 29.422 0.779 18.008
95 1HG GLN 15 2HG GLN 15 28.618 -0.815 16.254
96 2HG GLN 15 1HG GLN 15 30.187 -0.675 15.464
97 1HE2 GLN 15 2HD2 GLN 15 31.031 -3.512 17.355
98 2HE2 GLN 15 1HD2 GLN 15 30.596 -2.892 15.802
99 H ALA 16 H ALA 16 27.028 1.613 17.491
100 HA ALA 16 HA ALA 16 25.542 0.314 15.320
101 1HB ALA 16 1HB ALA 16 25.691 -0.284 17.950
102 2HB ALA 16 3HB ALA 16 24.256 0.741 17.938
103 3HB ALA 16 2HB ALA 16 24.315 -0.705 16.927
104 H SER 17 H SER 17 26.163 3.245 15.426
105 HA SER 17 HA SER 17 23.411 4.170 14.989
106 1HB SER 17 2HB SER 17 23.557 6.014 16.387
107 2HB SER 17 1HB SER 17 24.368 4.770 17.331
108 HG SER 17 HG SER 17 25.480 6.922 15.863
109 H ALA 18 H ALA 18 26.781 5.334 14.936
110 HA ALA 18 HA ALA 18 26.261 6.888 12.531
111 1HB ALA 18 2HB ALA 18 28.547 6.605 14.439
112 2HB ALA 18 1HB ALA 18 28.812 7.324 12.851
113 3HB ALA 18 3HB ALA 18 27.657 8.053 13.967
114 H THR 19 H THR 19 25.785 4.432 11.772
115 HA THR 19 HA THR 19 28.238 3.297 10.620
116 HB THR 19 HB THR 19 26.540 1.875 11.870
117 HG1 THR 19 HG1 THR 19 28.013 0.799 10.684
118 1HG2 THR 19 3HG2 THR 19 24.776 2.964 9.905
119 2HG2 THR 19 2HG2 THR 19 24.927 1.233 9.603
120 3HG2 THR 19 1HG2 THR 19 24.403 1.809 11.187
121 H GLU 20 H GLU 20 26.588 5.757 9.711
122 HA GLU 20 HA GLU 20 25.895 4.940 7.003
123 1HB GLU 20 2HB GLU 20 24.884 6.841 8.797
124 2HB GLU 20 1HB GLU 20 25.654 7.764 7.510
125 1HG GLU 20 2HG GLU 20 23.251 7.279 7.077
126 2HG GLU 20 1HG GLU 20 24.327 6.640 5.838
127 H TYR 21 H TYR 21 28.476 6.306 8.712
128 HA TYR 21 HA TYR 21 29.660 7.412 6.248
129 1HB TYR 21 2HB TYR 21 30.147 8.002 9.158
130 2HB TYR 21 1HB TYR 21 31.237 8.539 7.890
131 HD1 TYR 21 HD2 TYR 21 30.466 10.181 6.198
132 HD2 TYR 21 HD1 TYR 21 28.012 9.040 9.508
133 HE1 TYR 21 HE2 TYR 21 29.028 12.141 5.816
134 HE2 TYR 21 HE1 TYR 21 26.579 11.003 9.114
135 HH TYR 21 HH TYR 21 26.408 12.976 8.015
136 H ILE 22 H ILE 22 29.938 4.895 8.579
137 HA ILE 22 HA ILE 22 32.722 4.328 7.903
138 HB ILE 22 HB ILE 22 30.925 2.624 9.599
139 1HG1 ILE 22 2HG1 ILE 22 32.072 5.316 10.288
140 2HG1 ILE 22 1HG1 ILE 22 30.604 4.537 10.891
141 1HG2 ILE 22 3HG2 ILE 22 33.177 1.788 8.861
142 2HG2 ILE 22 2HG2 ILE 22 33.912 3.081 9.816
143 3HG2 ILE 22 1HG2 ILE 22 32.954 1.833 10.612
144 1HD1 ILE 22 1HD1 ILE 22 32.309 2.928 12.089
145 2HD1 ILE 22 3HD1 ILE 22 33.414 4.288 11.876
146 3HD1 ILE 22 2HD1 ILE 22 31.913 4.505 12.779
147 H GLY 23 H GLY 23 32.186 3.968 5.679
148 1HA GLY 23 2HA GLY 23 31.951 1.211 5.029
149 2HA GLY 23 1HA GLY 23 30.464 2.067 4.623
150 H TYR 24 H TYR 24 31.159 4.391 3.633
151 HA TYR 24 HA TYR 24 32.081 3.890 1.035
152 1HB TYR 24 2HB TYR 24 32.047 6.520 2.513
153 2HB TYR 24 1HB TYR 24 32.098 6.308 0.770
154 HD1 TYR 24 HD2 TYR 24 30.145 5.004 -0.311
155 HD2 TYR 24 HD1 TYR 24 29.955 6.698 3.618
156 HE1 TYR 24 HE2 TYR 24 27.686 4.947 -0.393
157 HE2 TYR 24 HE1 TYR 24 27.502 6.632 3.518
158 HH TYR 24 HH TYR 24 25.786 5.857 0.597
159 H ALA 25 H ALA 25 33.794 4.571 3.963
160 HA ALA 25 HA ALA 25 36.223 5.489 2.732
161 1HB ALA 25 1HB ALA 25 35.184 5.144 5.406
162 2HB ALA 25 3HB ALA 25 36.832 4.524 5.283
163 3HB ALA 25 2HB ALA 25 36.481 6.196 4.835
164 H TRP 26 H TRP 26 34.799 2.430 3.016
165 HA TRP 26 HA TRP 26 37.233 0.914 3.324
166 1HB TRP 26 2HB TRP 26 34.395 0.375 3.271
167 2HB TRP 26 1HB TRP 26 35.266 -0.748 2.240
168 HD1 TRP 26 1HD TRP 26 34.601 0.047 5.880
169 HE1 TRP 26 1HE TRP 26 35.812 -1.665 7.334
170 HE3 TRP 26 3HE TRP 26 37.503 -2.241 2.336
171 HZ2 TRP 26 2HZ TRP 26 37.724 -3.703 7.072
172 HZ3 TRP 26 3HZ TRP 26 39.008 -4.069 3.010
173 HH2 TRP 26 HH2 TRP 26 39.120 -4.796 5.357
174 H ALA 27 H ALA 27 34.981 1.591 0.657
175 HA ALA 27 HA ALA 27 36.206 0.145 -1.364
176 1HB ALA 27 3HB ALA 27 34.332 2.362 -1.184
177 2HB ALA 27 2HB ALA 27 35.360 2.475 -2.614
178 3HB ALA 27 1HB ALA 27 34.389 1.028 -2.337
179 H MET 28 H MET 28 36.812 3.531 -0.453
180 HA MET 28 HA MET 28 38.817 4.099 -2.288
181 1HB MET 28 2HB MET 28 37.815 5.262 0.187
182 2HB MET 28 1HB MET 28 39.548 5.471 0.030
183 1HG MET 28 2HG MET 28 38.046 7.320 -0.928
184 2HG MET 28 1HG MET 28 39.340 6.733 -1.960
185 1HE MET 28 2HE MET 28 38.259 7.903 -3.895
186 2HE MET 28 1HE MET 28 38.765 6.346 -4.549
187 3HE MET 28 3HE MET 28 37.183 7.015 -4.972
188 H VAL 29 H VAL 29 39.091 2.722 0.973
189 HA VAL 29 HA VAL 29 41.852 2.615 1.207
190 HB VAL 29 HB VAL 29 39.740 0.711 2.211
191 1HG1 VAL 29 3HG1 VAL 29 42.622 0.988 3.060
192 2HG1 VAL 29 2HG1 VAL 29 41.402 0.011 3.880
193 3HG1 VAL 29 1HG1 VAL 29 41.902 -0.396 2.237
194 1HG2 VAL 29 3HG2 VAL 29 40.040 3.319 2.843
195 2HG2 VAL 29 2HG2 VAL 29 39.437 2.102 3.970
196 3HG2 VAL 29 1HG2 VAL 29 41.133 2.584 4.017
197 H VAL 30 H VAL 30 39.648 0.450 -0.499
198 HA VAL 30 HA VAL 30 41.465 -1.620 -1.051
199 HB VAL 30 HB VAL 30 39.046 -0.660 -2.571
200 1HG1 VAL 30 1HG1 VAL 30 40.939 -2.843 -3.035
201 2HG1 VAL 30 3HG1 VAL 30 39.244 -3.330 -3.042
202 3HG1 VAL 30 2HG1 VAL 30 39.803 -2.068 -4.140
203 1HG2 VAL 30 1HG2 VAL 30 39.451 -2.502 -0.251
204 2HG2 VAL 30 3HG2 VAL 30 38.219 -1.264 -0.499
205 3HG2 VAL 30 2HG2 VAL 30 38.122 -2.793 -1.375
206 H VAL 31 H VAL 31 41.041 1.542 -2.410
207 HA VAL 31 HA VAL 31 42.538 0.960 -4.814
208 HB VAL 31 HB VAL 31 41.388 3.486 -3.653
209 1HG1 VAL 31 2HG1 VAL 31 43.359 4.023 -4.971
210 2HG1 VAL 31 1HG1 VAL 31 42.732 3.077 -6.321
211 3HG1 VAL 31 3HG1 VAL 31 41.892 4.540 -5.804
212 1HG2 VAL 31 1HG2 VAL 31 40.442 1.415 -5.543
213 2HG2 VAL 31 3HG2 VAL 31 39.529 2.450 -4.442
214 3HG2 VAL 31 2HG2 VAL 31 40.098 3.090 -5.986
215 H ILE 32 H ILE 32 43.058 2.203 -1.644
216 HA ILE 32 HA ILE 32 45.704 3.262 -2.267
217 HB ILE 32 HB ILE 32 44.333 3.016 0.405
218 1HG1 ILE 32 2HG1 ILE 32 44.329 5.298 -1.576
219 2HG1 ILE 32 1HG1 ILE 32 42.942 4.326 -1.093
220 1HG2 ILE 32 2HG2 ILE 32 46.857 3.392 0.264
221 2HG2 ILE 32 1HG2 ILE 32 46.466 4.978 -0.403
222 3HG2 ILE 32 3HG2 ILE 32 45.924 4.546 1.220
223 1HD1 ILE 32 1HD1 ILE 32 43.454 5.120 1.300
224 2HD1 ILE 32 3HD1 ILE 32 44.481 6.336 0.537
225 3HD1 ILE 32 2HD1 ILE 32 42.751 6.295 0.187
226 H VAL 33 H VAL 33 44.259 0.348 -1.129
227 HA VAL 33 HA VAL 33 46.237 -0.739 0.482
228 HB VAL 33 HB VAL 33 44.009 -1.728 -1.190
229 1HG1 VAL 33 3HG1 VAL 33 45.738 -3.304 -1.859
230 2HG1 VAL 33 2HG1 VAL 33 46.111 -3.633 -0.166
231 3HG1 VAL 33 1HG1 VAL 33 44.539 -4.083 -0.827
232 1HG2 VAL 33 3HG2 VAL 33 44.912 -2.141 1.655
233 2HG2 VAL 33 2HG2 VAL 33 43.571 -1.146 1.080
234 3HG2 VAL 33 1HG2 VAL 33 43.482 -2.905 0.959
235 H GLY 34 H GLY 34 45.861 -0.964 -3.059
236 1HA GLY 34 2HA GLY 34 48.227 -2.476 -3.489
237 2HA GLY 34 1HA GLY 34 47.342 -1.568 -4.717
238 H ALA 35 H ALA 35 47.575 0.956 -4.256
239 HA ALA 35 HA ALA 35 50.106 1.766 -4.959
240 1HB ALA 35 2HB ALA 35 47.698 3.036 -4.389
241 2HB ALA 35 1HB ALA 35 48.838 3.745 -3.245
242 3HB ALA 35 3HB ALA 35 49.174 3.807 -4.976
243 H THR 36 H THR 36 48.884 0.990 -1.809
244 HA THR 36 HA THR 36 50.983 2.169 -0.270
245 HB THR 36 HB THR 36 48.883 0.083 0.278
246 HG1 THR 36 HG1 THR 36 47.853 1.729 1.217
247 1HG2 THR 36 2HG2 THR 36 51.088 1.058 2.062
248 2HG2 THR 36 1HG2 THR 36 49.544 0.522 2.729
249 3HG2 THR 36 3HG2 THR 36 50.531 -0.595 1.783
250 H ILE 37 H ILE 37 50.323 -1.114 -1.462
251 HA ILE 37 HA ILE 37 52.498 -2.436 -0.317
252 HB ILE 37 HB ILE 37 51.089 -2.909 -2.937
253 1HG1 ILE 37 2HG1 ILE 37 50.778 -4.167 -0.227
254 2HG1 ILE 37 1HG1 ILE 37 49.648 -3.058 -0.989
255 1HG2 ILE 37 1HG2 ILE 37 53.319 -3.964 -2.923
256 2HG2 ILE 37 3HG2 ILE 37 52.887 -4.806 -1.433
257 3HG2 ILE 37 2HG2 ILE 37 52.010 -5.147 -2.926
258 1HD1 ILE 37 1HD1 ILE 37 49.586 -4.793 -2.912
259 2HD1 ILE 37 3HD1 ILE 37 50.291 -5.899 -1.733
260 3HD1 ILE 37 2HD1 ILE 37 48.716 -5.167 -1.422
261 H GLY 38 H GLY 38 52.258 -0.764 -3.441
262 1HA GLY 38 2HA GLY 38 54.741 -1.290 -4.522
263 2HA GLY 38 1HA GLY 38 53.869 0.226 -4.753
264 H ILE 39 H ILE 39 54.050 1.793 -2.940
265 HA ILE 39 HA ILE 39 56.626 2.665 -2.563
266 HB ILE 39 HB ILE 39 54.261 3.067 -0.730
267 1HG1 ILE 39 2HG1 ILE 39 54.966 5.251 -2.511
268 2HG1 ILE 39 1HG1 ILE 39 54.549 3.794 -3.402
269 1HG2 ILE 39 1HG2 ILE 39 56.966 4.263 -0.860
270 2HG2 ILE 39 3HG2 ILE 39 55.613 5.337 -0.512
271 3HG2 ILE 39 2HG2 ILE 39 55.930 3.950 0.533
272 1HD1 ILE 39 1HD1 ILE 39 52.640 4.010 -1.345
273 2HD1 ILE 39 3HD1 ILE 39 52.815 5.630 -2.024
274 3HD1 ILE 39 2HD1 ILE 39 52.391 4.275 -3.072
275 H LYS 40 H LYS 40 54.752 0.522 -0.438
276 HA LYS 40 HA LYS 40 56.497 0.389 1.724
277 1HB LYS 40 2HB LYS 40 54.120 -0.647 1.280
278 2HB LYS 40 1HB LYS 40 55.059 -2.047 0.775
279 1HG LYS 40 2HG LYS 40 55.065 -2.599 2.948
280 2HG LYS 40 1HG LYS 40 56.273 -1.329 3.131
281 1HD LYS 40 2HD LYS 40 53.375 -0.614 3.190
282 2HD LYS 40 1HD LYS 40 54.096 -1.342 4.622
283 1HE LYS 40 2HE LYS 40 54.735 1.292 3.303
284 2HE LYS 40 1HE LYS 40 54.319 0.976 4.986
285 1HZ LYS 40 3HZ LYS 40 56.497 -0.392 4.950
286 2HZ LYS 40 2HZ LYS 40 56.878 0.577 3.609
287 3HZ LYS 40 1HZ LYS 40 56.561 1.294 5.115
288 H LEU 41 H LEU 41 56.334 -1.657 -1.168
289 HA LEU 41 HA LEU 41 58.414 -3.411 -0.618
290 1HB LEU 41 2HB LEU 41 57.246 -2.319 -3.152
291 2HB LEU 41 1HB LEU 41 58.618 -3.415 -3.208
292 HG LEU 41 HG LEU 41 55.919 -3.951 -1.962
293 1HD1 LEU 41 2HD1 LEU 41 57.069 -4.456 -4.587
294 2HD1 LEU 41 1HD1 LEU 41 56.449 -5.919 -3.820
295 3HD1 LEU 41 3HD1 LEU 41 55.389 -4.529 -4.054
296 1HD2 LEU 41 2HD2 LEU 41 58.511 -5.387 -1.731
297 2HD2 LEU 41 1HD2 LEU 41 57.173 -5.264 -0.583
298 3HD2 LEU 41 3HD2 LEU 41 57.060 -6.366 -1.956
299 H PHE 42 H PHE 42 58.503 -0.099 -1.666
300 HA PHE 42 HA PHE 42 61.220 -0.086 -2.564
301 1HB PHE 42 2HB PHE 42 59.213 1.558 -3.016
302 2HB PHE 42 1HB PHE 42 59.855 2.385 -1.603
303 HD1 PHE 42 HD1 PHE 42 60.909 0.967 -4.885
304 HD2 PHE 42 HD2 PHE 42 61.583 3.916 -1.873
305 HE1 PHE 42 HE1 PHE 42 62.609 2.038 -6.313
306 HE2 PHE 42 HE2 PHE 42 63.283 4.987 -3.302
307 HZ PHE 42 HZ PHE 42 63.795 4.048 -5.522
308 H LYS 43 H LYS 43 59.653 1.230 0.363
309 HA LYS 43 HA LYS 43 61.898 2.163 1.676
310 1HB LYS 43 2HB LYS 43 59.314 1.030 2.683
311 2HB LYS 43 1HB LYS 43 60.522 1.744 3.755
312 1HG LYS 43 2HG LYS 43 60.012 3.387 1.405
313 2HG LYS 43 1HG LYS 43 58.553 3.096 2.329
314 1HD LYS 43 2HD LYS 43 59.604 3.963 4.363
315 2HD LYS 43 1HD LYS 43 61.134 4.154 3.513
316 1HE LYS 43 2HE LYS 43 58.777 5.905 3.571
317 2HE LYS 43 1HE LYS 43 60.465 6.287 3.242
318 1HZ LYS 43 3HZ LYS 43 60.168 5.409 0.995
319 2HZ LYS 43 2HZ LYS 43 58.529 5.101 1.324
320 3HZ LYS 43 1HZ LYS 43 59.110 6.697 1.309
321 H LYS 44 H LYS 44 61.000 -1.127 1.115
322 HA LYS 44 HA LYS 44 62.395 -2.255 3.343
323 1HB LYS 44 2HB LYS 44 60.704 -3.146 1.204
324 2HB LYS 44 1HB LYS 44 62.175 -4.089 1.150
325 1HG LYS 44 2HG LYS 44 61.641 -5.278 3.008
326 2HG LYS 44 1HG LYS 44 60.966 -3.873 3.843
327 1HD LYS 44 2HD LYS 44 58.901 -4.036 2.693
328 2HD LYS 44 1HD LYS 44 59.546 -5.189 1.527
329 1HE LYS 44 2HE LYS 44 58.062 -5.855 3.745
330 2HE LYS 44 1HE LYS 44 59.175 -6.969 2.955
331 1HZ LYS 44 2HZ LYS 44 59.850 -5.186 5.236
332 2HZ LYS 44 1HZ LYS 44 59.510 -6.846 5.353
333 3HZ LYS 44 3HZ LYS 44 60.886 -6.320 4.512
334 H PHE 45 H PHE 45 63.069 -2.319 -0.159
335 HA PHE 45 HA PHE 45 65.685 -3.313 0.040
336 1HB PHE 45 2HB PHE 45 64.064 -1.914 -2.023
337 2HB PHE 45 1HB PHE 45 65.791 -2.007 -2.264
338 HD1 PHE 45 HD1 PHE 45 66.918 -4.286 -2.330
339 HD2 PHE 45 HD2 PHE 45 62.651 -3.825 -2.399
340 HE1 PHE 45 HE1 PHE 45 66.671 -6.576 -3.182
341 HE2 PHE 45 HE2 PHE 45 62.431 -6.117 -3.252
342 HZ PHE 45 HZ PHE 45 64.433 -7.493 -3.644
343 H THR 46 H THR 46 64.373 -0.119 0.396
344 HA THR 46 HA THR 46 66.982 1.155 0.238
345 HB THR 46 HB THR 46 65.761 3.199 0.375
346 HG1 THR 46 HG1 THR 46 63.703 1.532 1.289
347 1HG2 THR 46 3HG2 THR 46 65.316 1.248 -1.606
348 2HG2 THR 46 2HG2 THR 46 63.761 2.035 -1.320
349 3HG2 THR 46 1HG2 THR 46 65.170 3.000 -1.766
350 H SER 47 H SER 47 65.573 -0.625 2.550
351 HA SER 47 HA SER 47 66.012 1.163 4.808
352 1HB SER 47 2HB SER 47 64.102 -0.319 4.916
353 2HB SER 47 1HB SER 47 65.130 -1.722 4.644
354 HG SER 47 HG SER 47 66.128 -1.292 6.651
355 H LYS 48 H LYS 48 67.555 -1.523 3.181
356 HA LYS 48 HA LYS 48 69.325 -2.534 4.966
357 1HB LYS 48 2HB LYS 48 69.561 -1.903 2.053
358 2HB LYS 48 1HB LYS 48 70.970 -2.504 2.918
359 1HG LYS 48 2HG LYS 48 69.665 -4.500 3.609
360 2HG LYS 48 1HG LYS 48 68.280 -3.885 2.702
361 1HD LYS 48 2HD LYS 48 70.976 -4.653 1.591
362 2HD LYS 48 1HD LYS 48 69.467 -5.539 1.390
363 1HE LYS 48 2HE LYS 48 68.563 -3.382 0.320
364 2HE LYS 48 1HE LYS 48 70.247 -2.875 0.225
365 1HZ LYS 48 3HZ LYS 48 69.866 -5.531 -0.742
366 2HZ LYS 48 2HZ LYS 48 68.910 -4.411 -1.589
367 3HZ LYS 48 1HZ LYS 48 70.593 -4.200 -1.502
368 H ALA 49 H ALA 49 70.084 0.290 2.919
369 HA ALA 49 HA ALA 49 71.591 1.986 3.169
370 1HB ALA 49 3HB ALA 49 70.244 1.661 5.761
371 2HB ALA 49 2HB ALA 49 71.777 2.532 5.833
372 3HB ALA 49 1HB ALA 49 70.482 3.109 4.782
373 H SER 50 H SER 50 72.385 0.666 6.338
374 HA SER 50 HA SER 50 75.147 0.744 5.964
375 1HB SER 50 2HB SER 50 73.920 0.558 8.152
376 2HB SER 50 1HB SER 50 73.677 -1.149 7.797
377 HG SER 50 HG SER 50 76.159 0.225 8.093
No H/Q in entry = 377
Start of MODEL 17
1 1H ALA 1 2H ALA 1 19.037 -30.797 19.342
2 2H ALA 1 1H ALA 1 18.544 -30.441 20.928
3 3H ALA 1 3H ALA 1 17.961 -31.832 20.152
4 HA ALA 1 HA ALA 1 16.196 -30.364 20.009
5 1HB ALA 1 2HB ALA 1 17.511 -28.356 20.730
6 2HB ALA 1 1HB ALA 1 18.158 -28.238 19.091
7 3HB ALA 1 3HB ALA 1 16.430 -28.015 19.373
8 H GLU 2 H GLU 2 16.203 -32.172 18.417
9 HA GLU 2 HA GLU 2 16.130 -33.050 16.282
10 1HB GLU 2 2HB GLU 2 14.812 -31.543 14.724
11 2HB GLU 2 1HB GLU 2 14.047 -31.935 16.261
12 1HG GLU 2 2HG GLU 2 14.694 -29.779 17.178
13 2HG GLU 2 1HG GLU 2 15.580 -29.388 15.703
14 H GLY 3 H GLY 3 18.220 -33.304 15.604
15 1HA GLY 3 2HA GLY 3 20.051 -33.019 14.257
16 2HA GLY 3 1HA GLY 3 19.091 -31.847 13.359
17 H ASP 4 H ASP 4 21.967 -31.986 14.544
18 HA ASP 4 HA ASP 4 22.138 -29.176 15.155
19 1HB ASP 4 2HB ASP 4 21.559 -30.614 17.327
20 2HB ASP 4 1HB ASP 4 23.304 -30.870 17.302
21 H ASP 5 H ASP 5 23.474 -29.274 13.292
22 HA ASP 5 HA ASP 5 26.226 -29.572 13.835
23 1HB ASP 5 2HB ASP 5 25.326 -32.002 13.497
24 2HB ASP 5 1HB ASP 5 25.333 -31.562 11.788
25 HA PRO 6 HA PRO 6 25.163 -26.991 10.178
26 1HB PRO 6 2HB PRO 6 25.944 -24.608 11.191
27 2HB PRO 6 1HB PRO 6 24.325 -25.283 11.432
28 1HG PRO 6 2HG PRO 6 26.532 -25.004 13.343
29 2HG PRO 6 1HG PRO 6 24.797 -25.192 13.640
30 1HD PRO 6 2HD PRO 6 26.829 -27.192 13.814
31 2HD PRO 6 1HD PRO 6 25.083 -27.386 14.062
32 H ALA 7 H ALA 7 27.993 -27.220 12.205
33 HA ALA 7 HA ALA 7 30.240 -27.158 11.759
34 1HB ALA 7 3HB ALA 7 29.166 -27.622 8.977
35 2HB ALA 7 2HB ALA 7 30.892 -27.570 9.343
36 3HB ALA 7 1HB ALA 7 29.870 -28.806 10.081
37 H LYS 8 H LYS 8 28.728 -24.710 11.911
38 HA LYS 8 HA LYS 8 28.703 -22.492 11.270
39 1HB LYS 8 2HB LYS 8 31.648 -22.901 11.482
40 2HB LYS 8 1HB LYS 8 30.673 -21.522 11.915
41 1HG LYS 8 2HG LYS 8 29.947 -22.441 13.912
42 2HG LYS 8 1HG LYS 8 30.129 -24.087 13.312
43 1HD LYS 8 2HD LYS 8 31.803 -23.189 15.106
44 2HD LYS 8 1HD LYS 8 32.389 -24.187 13.785
45 1HE LYS 8 2HE LYS 8 33.720 -22.054 14.389
46 2HE LYS 8 1HE LYS 8 33.387 -22.363 12.685
47 1HZ LYS 8 3HZ LYS 8 31.296 -20.869 13.933
48 2HZ LYS 8 2HZ LYS 8 32.796 -20.087 14.081
49 3HZ LYS 8 1HZ LYS 8 32.203 -20.506 12.545
50 H ALA 9 H ALA 9 28.684 -24.074 9.006
51 HA ALA 9 HA ALA 9 30.555 -22.944 7.083
52 1HB ALA 9 3HB ALA 9 28.943 -25.316 7.245
53 2HB ALA 9 2HB ALA 9 28.592 -24.457 5.744
54 3HB ALA 9 1HB ALA 9 30.248 -24.936 6.121
55 H ALA 10 H ALA 10 27.011 -23.354 7.073
56 HA ALA 10 HA ALA 10 26.539 -21.344 5.148
57 1HB ALA 10 1HB ALA 10 24.882 -22.939 7.024
58 2HB ALA 10 3HB ALA 10 24.164 -21.470 6.359
59 3HB ALA 10 2HB ALA 10 24.739 -22.741 5.277
60 H PHE 11 H PHE 11 26.268 -21.307 8.690
61 HA PHE 11 HA PHE 11 25.266 -18.777 9.109
62 1HB PHE 11 2HB PHE 11 26.168 -20.708 10.735
63 2HB PHE 11 1HB PHE 11 27.513 -19.585 10.859
64 HD1 PHE 11 HD1 PHE 11 26.751 -17.038 11.134
65 HD2 PHE 11 HD2 PHE 11 24.438 -20.442 12.315
66 HE1 PHE 11 HE1 PHE 11 25.498 -15.644 12.730
67 HE2 PHE 11 HE2 PHE 11 23.195 -19.038 13.903
68 HZ PHE 11 HZ PHE 11 23.721 -16.642 14.113
69 H ASN 12 H ASN 12 28.623 -19.700 8.460
70 HA ASN 12 HA ASN 12 29.679 -17.057 8.731
71 1HB ASN 12 2HB ASN 12 30.861 -19.418 8.757
72 2HB ASN 12 1HB ASN 12 31.010 -19.116 7.024
73 1HD2 ASN 12 2HD2 ASN 12 34.041 -17.723 8.519
74 2HD2 ASN 12 1HD2 ASN 12 33.323 -19.270 8.244
75 H SER 13 H SER 13 28.747 -19.071 5.955
76 HA SER 13 HA SER 13 29.480 -17.394 3.872
77 1HB SER 13 2HB SER 13 26.886 -18.630 3.416
78 2HB SER 13 1HB SER 13 28.427 -18.917 2.611
79 HG SER 13 HG SER 13 28.073 -20.791 3.649
80 H LEU 14 H LEU 14 26.721 -17.215 6.029
81 HA LEU 14 HA LEU 14 25.203 -15.307 4.603
82 1HB LEU 14 2HB LEU 14 24.299 -16.640 6.464
83 2HB LEU 14 1HB LEU 14 25.368 -15.788 7.575
84 HG LEU 14 HG LEU 14 24.223 -13.639 6.589
85 1HD1 LEU 14 1HD1 LEU 14 22.978 -15.069 4.854
86 2HD1 LEU 14 3HD1 LEU 14 21.921 -15.544 6.186
87 3HD1 LEU 14 2HD1 LEU 14 22.041 -13.848 5.716
88 1HD2 LEU 14 2HD2 LEU 14 22.914 -15.500 8.584
89 2HD2 LEU 14 1HD2 LEU 14 23.914 -14.075 8.906
90 3HD2 LEU 14 3HD2 LEU 14 22.292 -13.888 8.239
91 H GLN 15 H GLN 15 27.892 -15.054 6.824
92 HA GLN 15 HA GLN 15 27.770 -12.281 7.349
93 1HB GLN 15 2HB GLN 15 29.121 -13.831 8.674
94 2HB GLN 15 1HB GLN 15 30.157 -14.132 7.281
95 1HG GLN 15 2HG GLN 15 31.369 -12.537 8.470
96 2HG GLN 15 1HG GLN 15 30.501 -11.550 7.294
97 1HE2 GLN 15 2HD2 GLN 15 30.167 -10.308 10.884
98 2HE2 GLN 15 1HD2 GLN 15 31.527 -10.896 9.996
99 H ALA 16 H ALA 16 29.219 -14.159 4.756
100 HA ALA 16 HA ALA 16 30.290 -11.726 3.509
101 1HB ALA 16 2HB ALA 16 30.782 -14.652 3.210
102 2HB ALA 16 1HB ALA 16 31.110 -13.592 1.837
103 3HB ALA 16 3HB ALA 16 31.939 -13.328 3.372
104 H SER 17 H SER 17 27.379 -12.547 3.654
105 HA SER 17 HA SER 17 26.797 -12.812 0.777
106 1HB SER 17 2HB SER 17 24.648 -13.603 1.383
107 2HB SER 17 1HB SER 17 25.782 -14.412 2.458
108 HG SER 17 HG SER 17 24.792 -13.477 4.079
109 H ALA 18 H ALA 18 26.048 -10.869 3.637
110 HA ALA 18 HA ALA 18 24.545 -8.938 2.062
111 1HB ALA 18 3HB ALA 18 24.287 -9.764 4.623
112 2HB ALA 18 2HB ALA 18 25.260 -8.311 4.858
113 3HB ALA 18 1HB ALA 18 23.702 -8.206 4.035
114 H THR 19 H THR 19 27.769 -9.400 3.190
115 HA THR 19 HA THR 19 28.433 -6.568 2.775
116 HB THR 19 HB THR 19 30.589 -7.121 3.783
117 HG1 THR 19 HG1 THR 19 29.621 -9.721 4.290
118 1HG2 THR 19 1HG2 THR 19 28.116 -7.981 5.278
119 2HG2 THR 19 3HG2 THR 19 29.704 -7.949 6.047
120 3HG2 THR 19 2HG2 THR 19 29.005 -6.461 5.406
121 H GLU 20 H GLU 20 27.834 -8.646 0.642
122 HA GLU 20 HA GLU 20 30.376 -8.863 -0.741
123 1HB GLU 20 2HB GLU 20 28.250 -10.517 -0.588
124 2HB GLU 20 1HB GLU 20 27.876 -9.661 -2.080
125 1HG GLU 20 2HG GLU 20 29.174 -11.717 -2.481
126 2HG GLU 20 1HG GLU 20 30.030 -10.273 -3.014
127 H TYR 21 H TYR 21 27.745 -6.745 -0.595
128 HA TYR 21 HA TYR 21 28.314 -5.640 -3.262
129 1HB TYR 21 2HB TYR 21 25.946 -5.594 -1.457
130 2HB TYR 21 1HB TYR 21 26.185 -4.245 -2.558
131 HD1 TYR 21 HD2 TYR 21 26.240 -4.647 -5.017
132 HD2 TYR 21 HD1 TYR 21 25.244 -7.741 -2.242
133 HE1 TYR 21 HE2 TYR 21 25.268 -5.981 -6.845
134 HE2 TYR 21 HE1 TYR 21 24.277 -9.067 -4.077
135 HH TYR 21 HH TYR 21 24.767 -8.335 -7.345
136 H ILE 22 H ILE 22 28.664 -5.013 0.118
137 HA ILE 22 HA ILE 22 29.075 -2.155 -0.218
138 HB ILE 22 HB ILE 22 29.395 -4.031 2.125
139 1HG1 ILE 22 2HG1 ILE 22 27.057 -3.378 1.229
140 2HG1 ILE 22 1HG1 ILE 22 27.343 -3.190 2.965
141 1HG2 ILE 22 3HG2 ILE 22 30.321 -1.251 1.821
142 2HG2 ILE 22 2HG2 ILE 22 29.346 -1.532 3.262
143 3HG2 ILE 22 1HG2 ILE 22 30.808 -2.483 2.989
144 1HD1 ILE 22 1HD1 ILE 22 28.082 -0.722 1.818
145 2HD1 ILE 22 3HD1 ILE 22 26.585 -1.199 1.014
146 3HD1 ILE 22 2HD1 ILE 22 26.646 -1.080 2.772
147 H GLY 23 H GLY 23 30.945 -4.902 -0.764
148 1HA GLY 23 2HA GLY 23 33.487 -4.001 0.153
149 2HA GLY 23 1HA GLY 23 33.200 -5.282 -1.023
150 H TYR 24 H TYR 24 31.564 -3.371 -2.670
151 HA TYR 24 HA TYR 24 33.523 -2.577 -4.500
152 1HB TYR 24 2HB TYR 24 30.655 -1.884 -4.075
153 2HB TYR 24 1HB TYR 24 31.592 -0.915 -5.197
154 HD1 TYR 24 HD1 TYR 24 32.664 -2.004 -7.187
155 HD2 TYR 24 HD2 TYR 24 29.956 -4.122 -4.629
156 HE1 TYR 24 HE1 TYR 24 32.355 -3.724 -8.919
157 HE2 TYR 24 HE2 TYR 24 29.664 -5.829 -6.374
158 HH TYR 24 HH TYR 24 29.889 -6.034 -8.813
159 H ALA 25 H ALA 25 32.355 -1.058 -1.622
160 HA ALA 25 HA ALA 25 33.470 1.548 -2.266
161 1HB ALA 25 2HB ALA 25 32.062 0.406 0.141
162 2HB ALA 25 1HB ALA 25 32.776 2.020 0.142
163 3HB ALA 25 3HB ALA 25 31.478 1.630 -0.989
164 H TRP 26 H TRP 26 34.505 -1.388 -0.820
165 HA TRP 26 HA TRP 26 36.444 -0.402 0.990
166 1HB TRP 26 2HB TRP 26 35.625 -2.965 -0.061
167 2HB TRP 26 1HB TRP 26 37.373 -2.851 0.001
168 HD1 TRP 26 1HD TRP 26 34.317 -3.181 2.212
169 HE1 TRP 26 1HE TRP 26 35.066 -3.442 4.633
170 HE3 TRP 26 3HE TRP 26 39.298 -2.140 1.695
171 HZ2 TRP 26 2HZ TRP 26 37.425 -3.252 6.156
172 HZ3 TRP 26 3HZ TRP 26 40.751 -2.201 3.683
173 HH2 TRP 26 HH2 TRP 26 39.827 -2.752 5.895
174 H ALA 27 H ALA 27 36.432 -0.928 -2.458
175 HA ALA 27 HA ALA 27 39.116 -1.046 -3.077
176 1HB ALA 27 2HB ALA 27 36.682 -0.078 -4.448
177 2HB ALA 27 1HB ALA 27 38.213 0.524 -5.088
178 3HB ALA 27 3HB ALA 27 37.917 -1.213 -4.999
179 H MET 28 H MET 28 37.152 1.900 -2.667
180 HA MET 28 HA MET 28 39.066 3.825 -3.123
181 1HB MET 28 2HB MET 28 36.500 3.693 -1.787
182 2HB MET 28 1HB MET 28 37.587 4.745 -0.903
183 1HG MET 28 2HG MET 28 36.135 5.834 -2.700
184 2HG MET 28 1HG MET 28 37.846 6.217 -2.741
185 1HE MET 28 1HE MET 28 37.154 7.244 -4.796
186 2HE MET 28 3HE MET 28 37.673 6.468 -6.300
187 3HE MET 28 2HE MET 28 35.967 6.481 -5.853
188 H VAL 29 H VAL 29 38.310 2.250 -0.025
189 HA VAL 29 HA VAL 29 40.292 3.526 1.507
190 HB VAL 29 HB VAL 29 39.067 0.794 1.865
191 1HG1 VAL 29 3HG1 VAL 29 41.095 1.189 3.208
192 2HG1 VAL 29 2HG1 VAL 29 40.342 2.634 3.886
193 3HG1 VAL 29 1HG1 VAL 29 39.647 1.043 4.203
194 1HG2 VAL 29 1HG2 VAL 29 38.014 3.503 2.194
195 2HG2 VAL 29 3HG2 VAL 29 37.163 1.961 2.095
196 3HG2 VAL 29 2HG2 VAL 29 37.840 2.497 3.634
197 H VAL 30 H VAL 30 40.325 0.588 -0.444
198 HA VAL 30 HA VAL 30 42.837 -0.384 0.373
199 HB VAL 30 HB VAL 30 40.814 -1.208 -1.321
200 1HG1 VAL 30 2HG1 VAL 30 41.935 -0.009 -3.201
201 2HG1 VAL 30 1HG1 VAL 30 43.329 -1.067 -2.975
202 3HG1 VAL 30 3HG1 VAL 30 41.772 -1.750 -3.447
203 1HG2 VAL 30 1HG2 VAL 30 43.533 -2.394 -0.791
204 2HG2 VAL 30 3HG2 VAL 30 42.047 -2.665 0.121
205 3HG2 VAL 30 2HG2 VAL 30 42.192 -3.271 -1.530
206 H VAL 31 H VAL 31 41.893 2.056 -1.940
207 HA VAL 31 HA VAL 31 44.442 2.331 -3.189
208 HB VAL 31 HB VAL 31 42.058 4.168 -3.049
209 1HG1 VAL 31 1HG1 VAL 31 44.704 4.493 -4.220
210 2HG1 VAL 31 3HG1 VAL 31 43.395 4.725 -5.379
211 3HG1 VAL 31 2HG1 VAL 31 43.447 5.690 -3.902
212 1HG2 VAL 31 1HG2 VAL 31 41.916 1.801 -4.126
213 2HG2 VAL 31 3HG2 VAL 31 41.283 3.191 -5.010
214 3HG2 VAL 31 2HG2 VAL 31 42.866 2.527 -5.425
215 H ILE 32 H ILE 32 43.207 3.277 -0.179
216 HA ILE 32 HA ILE 32 45.004 5.569 0.097
217 HB ILE 32 HB ILE 32 42.954 4.398 1.972
218 1HG1 ILE 32 2HG1 ILE 32 42.886 6.878 0.247
219 2HG1 ILE 32 1HG1 ILE 32 41.992 5.391 -0.053
220 1HG2 ILE 32 2HG2 ILE 32 44.784 5.560 3.152
221 2HG2 ILE 32 1HG2 ILE 32 44.468 7.002 2.184
222 3HG2 ILE 32 3HG2 ILE 32 43.241 6.405 3.303
223 1HD1 ILE 32 3HD1 ILE 32 41.129 5.841 2.425
224 2HD1 ILE 32 2HD1 ILE 32 41.527 7.507 1.995
225 3HD1 ILE 32 1HD1 ILE 32 40.361 6.599 1.028
226 H VAL 33 H VAL 33 44.490 2.323 1.421
227 HA VAL 33 HA VAL 33 46.801 2.539 3.161
228 HB VAL 33 HB VAL 33 44.662 0.498 2.647
229 1HG1 VAL 33 1HG1 VAL 33 47.157 0.097 4.282
230 2HG1 VAL 33 3HG1 VAL 33 45.719 -0.921 4.390
231 3HG1 VAL 33 2HG1 VAL 33 46.630 -0.835 2.880
232 1HG2 VAL 33 1HG2 VAL 33 45.526 2.116 5.038
233 2HG2 VAL 33 3HG2 VAL 33 44.017 2.244 4.132
234 3HG2 VAL 33 2HG2 VAL 33 44.336 0.815 5.119
235 H GLY 34 H GLY 34 45.835 0.993 0.143
236 1HA GLY 34 2HA GLY 34 48.015 -0.754 -0.176
237 2HA GLY 34 1HA GLY 34 47.049 -0.081 -1.491
238 H ALA 35 H ALA 35 47.593 2.649 -1.051
239 HA ALA 35 HA ALA 35 49.868 3.096 -2.568
240 1HB ALA 35 3HB ALA 35 47.955 4.707 -1.879
241 2HB ALA 35 2HB ALA 35 48.978 5.071 -0.487
242 3HB ALA 35 1HB ALA 35 49.572 5.373 -2.121
243 H THR 36 H THR 36 49.522 2.658 0.872
244 HA THR 36 HA THR 36 52.177 3.511 1.569
245 HB THR 36 HB THR 36 49.949 2.083 2.998
246 HG1 THR 36 HG1 THR 36 49.896 4.372 2.703
247 1HG2 THR 36 2HG2 THR 36 52.766 2.519 3.962
248 2HG2 THR 36 1HG2 THR 36 51.406 2.389 5.080
249 3HG2 THR 36 3HG2 THR 36 51.802 1.041 4.011
250 H ILE 37 H ILE 37 50.573 0.377 1.086
251 HA ILE 37 HA ILE 37 52.797 -1.249 1.717
252 HB ILE 37 HB ILE 37 50.498 -1.800 -0.152
253 1HG1 ILE 37 2HG1 ILE 37 50.846 -2.313 2.789
254 2HG1 ILE 37 1HG1 ILE 37 49.701 -1.205 2.046
255 1HG2 ILE 37 1HG2 ILE 37 52.504 -3.623 1.163
256 2HG2 ILE 37 3HG2 ILE 37 50.998 -4.190 0.439
257 3HG2 ILE 37 2HG2 ILE 37 52.217 -3.401 -0.564
258 1HD1 ILE 37 2HD1 ILE 37 49.158 -3.614 0.792
259 2HD1 ILE 37 1HD1 ILE 37 49.504 -4.091 2.456
260 3HD1 ILE 37 3HD1 ILE 37 48.234 -2.912 2.121
261 H GLY 38 H GLY 38 51.709 0.262 -1.271
262 1HA GLY 38 2HA GLY 38 53.376 -0.971 -3.128
263 2HA GLY 38 1HA GLY 38 52.789 0.687 -3.251
264 H ILE 39 H ILE 39 53.944 2.215 -1.691
265 HA ILE 39 HA ILE 39 56.598 2.482 -2.479
266 HB ILE 39 HB ILE 39 55.217 3.604 -0.044
267 1HG1 ILE 39 2HG1 ILE 39 55.646 5.377 -2.313
268 2HG1 ILE 39 1HG1 ILE 39 54.624 4.006 -2.724
269 1HG2 ILE 39 1HG2 ILE 39 57.834 4.165 -1.356
270 2HG2 ILE 39 3HG2 ILE 39 56.958 5.469 -0.552
271 3HG2 ILE 39 2HG2 ILE 39 57.442 4.037 0.360
272 1HD1 ILE 39 2HD1 ILE 39 53.658 4.807 -0.256
273 2HD1 ILE 39 1HD1 ILE 39 54.032 6.326 -1.070
274 3HD1 ILE 39 3HD1 ILE 39 52.931 5.170 -1.822
275 H LYS 40 H LYS 40 55.265 1.129 0.529
276 HA LYS 40 HA LYS 40 57.626 0.729 1.921
277 1HB LYS 40 2HB LYS 40 55.092 0.295 2.514
278 2HB LYS 40 1HB LYS 40 55.488 -1.342 2.012
279 1HG LYS 40 2HG LYS 40 56.191 -1.613 4.129
280 2HG LYS 40 1HG LYS 40 57.606 -0.692 3.628
281 1HD LYS 40 2HD LYS 40 55.145 0.748 4.532
282 2HD LYS 40 1HD LYS 40 56.221 0.046 5.738
283 1HE LYS 40 2HE LYS 40 56.778 2.242 3.748
284 2HE LYS 40 1HE LYS 40 56.991 2.262 5.497
285 1HZ LYS 40 1HZ LYS 40 58.656 0.324 4.899
286 2HZ LYS 40 3HZ LYS 40 58.735 1.176 3.435
287 3HZ LYS 40 2HZ LYS 40 59.121 1.957 4.892
288 H LEU 41 H LEU 41 56.145 -1.178 -0.642
289 HA LEU 41 HA LEU 41 57.852 -3.438 -0.447
290 1HB LEU 41 2HB LEU 41 56.017 -2.332 -2.527
291 2HB LEU 41 1HB LEU 41 57.128 -3.619 -2.975
292 HG LEU 41 HG LEU 41 55.095 -3.704 -0.741
293 1HD1 LEU 41 2HD1 LEU 41 55.053 -4.533 -3.562
294 2HD1 LEU 41 1HD1 LEU 41 54.454 -5.735 -2.417
295 3HD1 LEU 41 3HD1 LEU 41 53.724 -4.129 -2.474
296 1HD2 LEU 41 1HD2 LEU 41 57.407 -5.414 -1.349
297 2HD2 LEU 41 3HD2 LEU 41 56.479 -5.245 0.143
298 3HD2 LEU 41 2HD2 LEU 41 55.888 -6.289 -1.152
299 H PHE 42 H PHE 42 57.984 -0.497 -2.438
300 HA PHE 42 HA PHE 42 60.171 -1.091 -4.035
301 1HB PHE 42 2HB PHE 42 58.640 0.979 -4.025
302 2HB PHE 42 1HB PHE 42 59.760 1.632 -2.837
303 HD1 PHE 42 HD2 PHE 42 62.359 1.224 -3.620
304 HD2 PHE 42 HD1 PHE 42 58.968 1.670 -6.182
305 HE1 PHE 42 HE2 PHE 42 63.834 1.970 -5.446
306 HE2 PHE 42 HE1 PHE 42 60.448 2.415 -8.006
307 HZ PHE 42 HZ PHE 42 62.880 2.566 -7.639
308 H LYS 43 H LYS 43 60.152 0.457 -0.835
309 HA LYS 43 HA LYS 43 62.845 0.922 -0.506
310 1HB LYS 43 2HB LYS 43 60.716 0.160 1.465
311 2HB LYS 43 1HB LYS 43 62.343 0.647 1.949
312 1HG LYS 43 2HG LYS 43 61.210 2.442 -0.043
313 2HG LYS 43 1HG LYS 43 60.187 2.322 1.374
314 1HD LYS 43 2HD LYS 43 61.978 3.011 2.843
315 2HD LYS 43 1HD LYS 43 63.152 2.908 1.534
316 1HE LYS 43 2HE LYS 43 61.296 5.079 2.242
317 2HE LYS 43 1HE LYS 43 62.836 5.136 1.386
318 1HZ LYS 43 3HZ LYS 43 61.698 4.349 -0.609
319 2HZ LYS 43 2HZ LYS 43 60.217 4.344 0.224
320 3HZ LYS 43 1HZ LYS 43 61.036 5.808 -0.050
321 H LYS 44 H LYS 44 61.197 -2.133 -0.541
322 HA LYS 44 HA LYS 44 63.475 -3.489 0.684
323 1HB LYS 44 2HB LYS 44 61.548 -4.388 1.570
324 2HB LYS 44 1HB LYS 44 60.644 -4.224 0.081
325 1HG LYS 44 2HG LYS 44 61.112 -6.581 0.732
326 2HG LYS 44 1HG LYS 44 61.697 -6.141 -0.880
327 1HD LYS 44 2HD LYS 44 63.314 -7.559 0.664
328 2HD LYS 44 1HD LYS 44 63.975 -6.157 -0.179
329 1HE LYS 44 2HE LYS 44 64.800 -5.954 2.002
330 2HE LYS 44 1HE LYS 44 63.429 -4.855 1.995
331 1HZ LYS 44 1HZ LYS 44 62.327 -7.215 2.722
332 2HZ LYS 44 3HZ LYS 44 63.837 -7.262 3.493
333 3HZ LYS 44 2HZ LYS 44 62.776 -5.968 3.784
334 H PHE 45 H PHE 45 61.442 -4.399 -2.114
335 HA PHE 45 HA PHE 45 63.603 -5.707 -3.427
336 1HB PHE 45 2HB PHE 45 60.776 -5.067 -4.078
337 2HB PHE 45 1HB PHE 45 61.861 -5.381 -5.413
338 HD1 PHE 45 HD2 PHE 45 63.307 -7.543 -5.305
339 HD2 PHE 45 HD1 PHE 45 59.754 -6.923 -2.971
340 HE1 PHE 45 HE2 PHE 45 63.084 -9.967 -4.969
341 HE2 PHE 45 HE1 PHE 45 59.555 -9.349 -2.654
342 HZ PHE 45 HZ PHE 45 61.215 -10.872 -3.649
343 H THR 46 H THR 46 62.095 -2.548 -3.784
344 HA THR 46 HA THR 46 62.586 -0.768 -5.153
345 HB THR 46 HB THR 46 64.220 -0.377 -3.495
346 HG1 THR 46 HG1 THR 46 65.552 -0.320 -6.001
347 1HG2 THR 46 2HG2 THR 46 65.899 -2.473 -4.870
348 2HG2 THR 46 1HG2 THR 46 66.464 -1.431 -3.565
349 3HG2 THR 46 3HG2 THR 46 65.167 -2.590 -3.268
350 H SER 47 H SER 47 62.138 -3.037 -6.690
351 HA SER 47 HA SER 47 62.290 -3.676 -8.886
352 1HB SER 47 2HB SER 47 62.860 -1.078 -9.002
353 2HB SER 47 1HB SER 47 64.424 -1.709 -9.506
354 HG SER 47 HG SER 47 63.139 -1.487 -11.336
355 H LYS 48 H LYS 48 64.398 -4.395 -6.690
356 HA LYS 48 HA LYS 48 66.860 -4.942 -7.802
357 1HB LYS 48 2HB LYS 48 65.213 -6.342 -5.725
358 2HB LYS 48 1HB LYS 48 66.753 -7.021 -6.239
359 1HG LYS 48 2HG LYS 48 66.655 -4.140 -5.451
360 2HG LYS 48 1HG LYS 48 66.613 -5.363 -4.189
361 1HD LYS 48 2HD LYS 48 68.781 -5.900 -4.469
362 2HD LYS 48 1HD LYS 48 68.656 -5.866 -6.225
363 1HE LYS 48 2HE LYS 48 68.820 -3.393 -4.493
364 2HE LYS 48 1HE LYS 48 70.211 -4.149 -5.264
365 1HZ LYS 48 1HZ LYS 48 68.374 -3.861 -7.267
366 2HZ LYS 48 3HZ LYS 48 68.236 -2.424 -6.379
367 3HZ LYS 48 2HZ LYS 48 69.743 -2.890 -7.008
368 H ALA 49 H ALA 49 64.018 -7.076 -7.765
369 HA ALA 49 HA ALA 49 65.111 -8.453 -10.082
370 1HB ALA 49 1HB ALA 49 64.078 -9.498 -7.545
371 2HB ALA 49 3HB ALA 49 63.451 -10.305 -8.984
372 3HB ALA 49 2HB ALA 49 65.192 -10.236 -8.698
373 H SER 50 H SER 50 63.754 -6.456 -10.881
374 HA SER 50 HA SER 50 61.541 -7.430 -12.277
375 1HB SER 50 2HB SER 50 60.247 -7.522 -10.311
376 2HB SER 50 1HB SER 50 60.897 -6.000 -9.710
377 HG SER 50 HG SER 50 58.775 -5.763 -10.600
No H/Q in entry = 377
Start of MODEL 18
1 1H ALA 1 2H ALA 1 0.607 -2.536 23.772
2 2H ALA 1 1H ALA 1 0.278 -4.201 23.692
3 3H ALA 1 3H ALA 1 -0.356 -3.273 24.961
4 HA ALA 1 HA ALA 1 1.473 -3.422 26.177
5 1HB ALA 1 2HB ALA 1 2.138 -5.456 24.027
6 2HB ALA 1 1HB ALA 1 3.004 -5.325 25.560
7 3HB ALA 1 3HB ALA 1 1.291 -5.762 25.544
8 H GLU 2 H GLU 2 2.911 -3.864 22.945
9 HA GLU 2 HA GLU 2 5.337 -2.663 23.390
10 1HB GLU 2 2HB GLU 2 4.010 -3.682 21.198
11 2HB GLU 2 1HB GLU 2 4.251 -1.990 20.768
12 1HG GLU 2 2HG GLU 2 6.308 -2.637 20.113
13 2HG GLU 2 1HG GLU 2 6.691 -2.677 21.834
14 H GLY 3 H GLY 3 5.912 -0.694 23.994
15 1HA GLY 3 2HA GLY 3 4.172 1.576 23.334
16 2HA GLY 3 1HA GLY 3 5.037 1.443 24.855
17 H ASP 4 H ASP 4 6.612 0.354 22.001
18 HA ASP 4 HA ASP 4 8.771 2.191 22.314
19 1HB ASP 4 2HB ASP 4 8.476 -0.251 21.124
20 2HB ASP 4 1HB ASP 4 8.553 0.823 19.727
21 H ASP 5 H ASP 5 6.004 1.971 20.166
22 HA ASP 5 HA ASP 5 5.052 3.469 18.719
23 1HB ASP 5 2HB ASP 5 5.121 4.971 20.652
24 2HB ASP 5 1HB ASP 5 6.765 5.451 20.225
25 HA PRO 6 HA PRO 6 8.327 3.535 15.648
26 1HB PRO 6 2HB PRO 6 6.724 3.542 13.472
27 2HB PRO 6 1HB PRO 6 7.071 2.090 14.422
28 1HG PRO 6 2HG PRO 6 4.614 3.706 14.297
29 2HG PRO 6 1HG PRO 6 4.826 2.000 14.719
30 1HD PRO 6 2HD PRO 6 4.436 4.158 16.506
31 2HD PRO 6 1HD PRO 6 4.849 2.485 16.921
32 H ALA 7 H ALA 7 6.539 6.034 16.687
33 HA ALA 7 HA ALA 7 6.439 7.874 14.567
34 1HB ALA 7 2HB ALA 7 6.693 8.256 17.551
35 2HB ALA 7 1HB ALA 7 6.476 9.592 16.419
36 3HB ALA 7 3HB ALA 7 5.229 8.352 16.570
37 H LYS 8 H LYS 8 8.784 7.888 17.256
38 HA LYS 8 HA LYS 8 10.603 9.646 16.079
39 1HB LYS 8 2HB LYS 8 12.154 8.863 17.771
40 2HB LYS 8 1HB LYS 8 10.554 9.076 18.462
41 1HG LYS 8 2HG LYS 8 10.390 6.908 19.024
42 2HG LYS 8 1HG LYS 8 10.933 6.390 17.435
43 1HD LYS 8 2HD LYS 8 12.387 5.775 19.498
44 2HD LYS 8 1HD LYS 8 13.178 6.342 18.034
45 1HE LYS 8 2HE LYS 8 13.882 7.314 20.372
46 2HE LYS 8 1HE LYS 8 13.757 8.388 18.977
47 1HZ LYS 8 2HZ LYS 8 11.310 8.030 20.489
48 2HZ LYS 8 1HZ LYS 8 12.561 8.822 21.322
49 3HZ LYS 8 3HZ LYS 8 12.000 9.444 19.848
50 H ALA 9 H ALA 9 10.118 6.239 15.665
51 HA ALA 9 HA ALA 9 12.548 5.352 14.694
52 1HB ALA 9 3HB ALA 9 10.257 4.129 15.025
53 2HB ALA 9 2HB ALA 9 10.023 4.523 13.320
54 3HB ALA 9 1HB ALA 9 11.401 3.540 13.818
55 H ALA 10 H ALA 10 9.879 6.752 12.792
56 HA ALA 10 HA ALA 10 11.131 6.758 10.299
57 1HB ALA 10 1HB ALA 10 8.822 8.062 11.530
58 2HB ALA 10 3HB ALA 10 9.573 9.032 10.261
59 3HB ALA 10 2HB ALA 10 9.011 7.397 9.906
60 H PHE 11 H PHE 11 11.079 9.275 12.803
61 HA PHE 11 HA PHE 11 12.660 11.156 11.393
62 1HB PHE 11 2HB PHE 11 11.411 10.983 13.943
63 2HB PHE 11 1HB PHE 11 13.091 11.416 14.200
64 HD1 PHE 11 HD1 PHE 11 14.043 13.364 12.794
65 HD2 PHE 11 HD2 PHE 11 9.849 12.648 13.299
66 HE1 PHE 11 HE1 PHE 11 13.560 15.692 12.162
67 HE2 PHE 11 HE2 PHE 11 9.384 14.976 12.668
68 HZ PHE 11 HZ PHE 11 11.234 16.498 12.099
69 H ASN 12 H ASN 12 13.437 8.453 13.486
70 HA ASN 12 HA ASN 12 16.242 9.081 13.678
71 1HB ASN 12 2HB ASN 12 14.847 7.730 15.347
72 2HB ASN 12 1HB ASN 12 14.993 6.393 14.206
73 1HD2 ASN 12 2HD2 ASN 12 18.289 5.634 15.027
74 2HD2 ASN 12 1HD2 ASN 12 16.890 5.294 14.071
75 H SER 13 H SER 13 14.190 7.165 11.594
76 HA SER 13 HA SER 13 16.198 5.594 10.356
77 1HB SER 13 2HB SER 13 13.522 5.559 10.222
78 2HB SER 13 1HB SER 13 13.859 6.472 8.749
79 HG SER 13 HG SER 13 13.874 3.944 8.861
80 H LEU 14 H LEU 14 15.116 8.871 9.928
81 HA LEU 14 HA LEU 14 16.235 9.324 7.362
82 1HB LEU 14 2HB LEU 14 14.513 10.775 8.330
83 2HB LEU 14 1HB LEU 14 15.634 11.253 9.601
84 HG LEU 14 HG LEU 14 17.181 11.973 7.622
85 1HD1 LEU 14 3HD1 LEU 14 15.746 10.927 5.861
86 2HD1 LEU 14 2HD1 LEU 14 14.505 12.133 6.214
87 3HD1 LEU 14 1HD1 LEU 14 16.071 12.638 5.581
88 1HD2 LEU 14 2HD2 LEU 14 14.727 13.500 8.502
89 2HD2 LEU 14 1HD2 LEU 14 16.404 13.709 9.029
90 3HD2 LEU 14 3HD2 LEU 14 15.916 14.196 7.405
91 H GLN 15 H GLN 15 17.517 9.253 10.578
92 HA GLN 15 HA GLN 15 19.994 10.602 9.868
93 1HB GLN 15 2HB GLN 15 19.022 10.927 12.091
94 2HB GLN 15 1HB GLN 15 19.141 9.199 12.406
95 1HG GLN 15 2HG GLN 15 21.075 9.906 13.426
96 2HG GLN 15 1HG GLN 15 21.694 9.628 11.799
97 1HE2 GLN 15 2HD2 GLN 15 23.010 12.876 12.157
98 2HE2 GLN 15 1HD2 GLN 15 23.343 11.182 12.227
99 H ALA 16 H ALA 16 18.816 7.341 10.472
100 HA ALA 16 HA ALA 16 21.485 6.200 10.153
101 1HB ALA 16 3HB ALA 16 19.017 5.392 11.385
102 2HB ALA 16 2HB ALA 16 19.564 4.152 10.255
103 3HB ALA 16 1HB ALA 16 20.628 4.693 11.556
104 H SER 17 H SER 17 19.723 7.502 7.947
105 HA SER 17 HA SER 17 19.501 5.247 6.092
106 1HB SER 17 2HB SER 17 17.631 6.818 6.199
107 2HB SER 17 1HB SER 17 18.708 8.147 5.791
108 HG SER 17 HG SER 17 19.146 6.968 3.801
109 H ALA 18 H ALA 18 22.026 6.912 7.088
110 HA ALA 18 HA ALA 18 23.114 7.570 4.439
111 1HB ALA 18 1HB ALA 18 23.648 8.452 7.206
112 2HB ALA 18 3HB ALA 18 25.060 8.292 6.162
113 3HB ALA 18 2HB ALA 18 23.733 9.355 5.691
114 H THR 19 H THR 19 22.726 4.849 5.062
115 HA THR 19 HA THR 19 25.313 3.754 5.833
116 HB THR 19 HB THR 19 24.198 1.568 5.505
117 HG1 THR 19 HG1 THR 19 22.735 2.111 3.894
118 1HG2 THR 19 1HG2 THR 19 23.032 3.662 7.302
119 2HG2 THR 19 3HG2 THR 19 22.269 2.073 7.230
120 3HG2 THR 19 2HG2 THR 19 23.959 2.218 7.716
121 H GLU 20 H GLU 20 23.921 4.878 2.984
122 HA GLU 20 HA GLU 20 25.293 2.998 1.242
123 1HB GLU 20 2HB GLU 20 22.939 4.401 1.041
124 2HB GLU 20 1HB GLU 20 24.032 5.314 0.006
125 1HG GLU 20 2HG GLU 20 22.825 3.541 -1.223
126 2HG GLU 20 1HG GLU 20 24.573 3.317 -1.254
127 H TYR 21 H TYR 21 25.973 5.894 2.786
128 HA TYR 21 HA TYR 21 27.784 6.901 0.728
129 1HB TYR 21 2HB TYR 21 26.674 7.926 3.286
130 2HB TYR 21 1HB TYR 21 28.214 8.570 2.739
131 HD1 TYR 21 HD1 TYR 21 24.650 8.162 1.911
132 HD2 TYR 21 HD2 TYR 21 28.317 10.076 0.842
133 HE1 TYR 21 HE1 TYR 21 23.430 9.651 0.377
134 HE2 TYR 21 HE2 TYR 21 27.088 11.562 -0.687
135 HH TYR 21 HH TYR 21 24.188 11.021 -1.854
136 H ILE 22 H ILE 22 27.871 4.849 3.445
137 HA ILE 22 HA ILE 22 30.675 5.336 4.055
138 HB ILE 22 HB ILE 22 28.541 3.521 5.192
139 1HG1 ILE 22 2HG1 ILE 22 28.659 4.889 7.182
140 2HG1 ILE 22 1HG1 ILE 22 30.106 5.728 6.601
141 1HG2 ILE 22 3HG2 ILE 22 31.507 3.506 5.783
142 2HG2 ILE 22 2HG2 ILE 22 30.328 2.964 6.986
143 3HG2 ILE 22 1HG2 ILE 22 30.436 2.153 5.427
144 1HD1 ILE 22 2HD1 ILE 22 27.557 5.914 5.026
145 2HD1 ILE 22 1HD1 ILE 22 27.796 6.907 6.460
146 3HD1 ILE 22 3HD1 ILE 22 28.913 7.037 5.104
147 H GLY 23 H GLY 23 28.704 2.678 2.765
148 1HA GLY 23 2HA GLY 23 30.471 0.647 2.462
149 2HA GLY 23 1HA GLY 23 29.254 1.024 1.246
150 H TYR 24 H TYR 24 30.456 3.621 0.581
151 HA TYR 24 HA TYR 24 32.277 2.716 -1.427
152 1HB TYR 24 2HB TYR 24 31.452 5.473 -0.540
153 2HB TYR 24 1HB TYR 24 32.525 5.173 -1.897
154 HD1 TYR 24 HD2 TYR 24 31.666 3.810 -3.859
155 HD2 TYR 24 HD1 TYR 24 29.083 5.282 -0.781
156 HE1 TYR 24 HE2 TYR 24 29.715 3.489 -5.325
157 HE2 TYR 24 HE1 TYR 24 27.150 4.953 -2.253
158 HH TYR 24 HH TYR 24 27.503 4.102 -5.614
159 H ALA 25 H ALA 25 32.629 4.311 1.682
160 HA ALA 25 HA ALA 25 35.287 5.149 1.513
161 1HB ALA 25 1HB ALA 25 33.324 4.699 3.604
162 2HB ALA 25 3HB ALA 25 34.958 4.306 4.140
163 3HB ALA 25 2HB ALA 25 34.602 5.913 3.503
164 H TRP 26 H TRP 26 33.994 1.963 1.662
165 HA TRP 26 HA TRP 26 36.325 0.697 2.766
166 1HB TRP 26 2HB TRP 26 33.664 -0.092 1.865
167 2HB TRP 26 1HB TRP 26 34.909 -1.249 1.431
168 HD1 TRP 26 1HD TRP 26 32.631 -0.527 4.176
169 HE1 TRP 26 1HE TRP 26 33.425 -1.606 6.346
170 HE3 TRP 26 3HE TRP 26 37.426 -1.710 2.858
171 HZ2 TRP 26 2HZ TRP 26 35.741 -2.810 7.394
172 HZ3 TRP 26 3HZ TRP 26 38.885 -2.830 4.496
173 HH2 TRP 26 HH2 TRP 26 38.053 -3.376 6.745
174 H ALA 27 H ALA 27 34.898 0.942 -0.485
175 HA ALA 27 HA ALA 27 36.833 -0.551 -1.853
176 1HB ALA 27 3HB ALA 27 34.616 1.151 -2.526
177 2HB ALA 27 2HB ALA 27 35.985 1.514 -3.581
178 3HB ALA 27 1HB ALA 27 35.359 -0.134 -3.481
179 H MET 28 H MET 28 36.617 2.979 -1.420
180 HA MET 28 HA MET 28 38.953 3.706 -2.719
181 1HB MET 28 2HB MET 28 37.123 4.926 -0.816
182 2HB MET 28 1HB MET 28 38.778 5.416 -0.506
183 1HG MET 28 2HG MET 28 37.400 6.873 -2.108
184 2HG MET 28 1HG MET 28 39.010 6.415 -2.637
185 1HE MET 28 3HE MET 28 35.418 6.221 -2.767
186 2HE MET 28 2HE MET 28 35.404 6.656 -4.476
187 3HE MET 28 1HE MET 28 34.946 5.025 -3.985
188 H VAL 29 H VAL 29 38.476 2.432 0.514
189 HA VAL 29 HA VAL 29 40.970 2.952 1.636
190 HB VAL 29 HB VAL 29 38.658 1.413 2.232
191 1HG1 VAL 29 1HG1 VAL 29 39.912 -0.610 1.666
192 2HG1 VAL 29 3HG1 VAL 29 41.182 -0.141 2.798
193 3HG1 VAL 29 2HG1 VAL 29 39.565 -0.525 3.395
194 1HG2 VAL 29 2HG2 VAL 29 39.627 3.158 3.630
195 2HG2 VAL 29 1HG2 VAL 29 39.427 1.655 4.534
196 3HG2 VAL 29 3HG2 VAL 29 41.025 2.131 3.956
197 H VAL 30 H VAL 30 39.917 0.155 -0.287
198 HA VAL 30 HA VAL 30 42.285 -1.297 -0.290
199 HB VAL 30 HB VAL 30 40.194 -1.027 -2.444
200 1HG1 VAL 30 1HG1 VAL 30 42.406 -3.004 -2.005
201 2HG1 VAL 30 3HG1 VAL 30 40.979 -3.390 -2.967
202 3HG1 VAL 30 2HG1 VAL 30 42.038 -2.065 -3.452
203 1HG2 VAL 30 2HG2 VAL 30 40.393 -2.658 0.056
204 2HG2 VAL 30 1HG2 VAL 30 39.015 -1.767 -0.594
205 3HG2 VAL 30 3HG2 VAL 30 39.513 -3.288 -1.338
206 H VAL 31 H VAL 31 41.155 1.175 -2.591
207 HA VAL 31 HA VAL 31 43.326 1.106 -4.333
208 HB VAL 31 HB VAL 31 41.557 3.420 -3.571
209 1HG1 VAL 31 1HG1 VAL 31 43.341 2.977 -5.956
210 2HG1 VAL 31 3HG1 VAL 31 42.126 4.250 -5.843
211 3HG1 VAL 31 2HG1 VAL 31 43.491 4.233 -4.726
212 1HG2 VAL 31 1HG2 VAL 31 41.290 1.208 -5.599
213 2HG2 VAL 31 3HG2 VAL 31 40.153 1.679 -4.333
214 3HG2 VAL 31 2HG2 VAL 31 40.395 2.723 -5.736
215 H ILE 32 H ILE 32 43.110 2.291 -1.138
216 HA ILE 32 HA ILE 32 45.482 3.985 -1.417
217 HB ILE 32 HB ILE 32 43.631 3.488 0.912
218 1HG1 ILE 32 2HG1 ILE 32 43.976 5.905 -0.868
219 2HG1 ILE 32 1HG1 ILE 32 42.647 4.752 -0.961
220 1HG2 ILE 32 2HG2 ILE 32 46.231 4.854 0.717
221 2HG2 ILE 32 1HG2 ILE 32 44.956 5.776 1.516
222 3HG2 ILE 32 3HG2 ILE 32 45.403 4.180 2.122
223 1HD1 ILE 32 1HD1 ILE 32 42.069 5.316 1.405
224 2HD1 ILE 32 3HD1 ILE 32 43.312 6.569 1.364
225 3HD1 ILE 32 2HD1 ILE 32 41.911 6.681 0.297
226 H VAL 33 H VAL 33 44.359 1.111 0.354
227 HA VAL 33 HA VAL 33 46.726 0.609 1.771
228 HB VAL 33 HB VAL 33 44.540 -1.233 0.818
229 1HG1 VAL 33 2HG1 VAL 33 47.026 -1.787 2.121
230 2HG1 VAL 33 1HG1 VAL 33 45.678 -2.188 3.187
231 3HG1 VAL 33 3HG1 VAL 33 45.773 -2.903 1.577
232 1HG2 VAL 33 1HG2 VAL 33 44.333 0.850 2.565
233 2HG2 VAL 33 3HG2 VAL 33 43.306 -0.584 2.583
234 3HG2 VAL 33 2HG2 VAL 33 44.707 -0.490 3.651
235 H GLY 34 H GLY 34 45.748 -0.038 -1.508
236 1HA GLY 34 2HA GLY 34 47.754 -2.014 -2.080
237 2HA GLY 34 1HA GLY 34 46.763 -1.155 -3.261
238 H ALA 35 H ALA 35 47.378 1.428 -2.964
239 HA ALA 35 HA ALA 35 49.730 1.842 -4.337
240 1HB ALA 35 3HB ALA 35 47.856 3.498 -2.833
241 2HB ALA 35 2HB ALA 35 49.502 4.134 -2.804
242 3HB ALA 35 1HB ALA 35 48.696 3.840 -4.347
243 H THR 36 H THR 36 49.223 1.395 -0.929
244 HA THR 36 HA THR 36 51.738 2.288 0.030
245 HB THR 36 HB THR 36 49.690 0.347 1.097
246 HG1 THR 36 HG1 THR 36 49.242 2.110 2.473
247 1HG2 THR 36 1HG2 THR 36 52.333 1.164 2.226
248 2HG2 THR 36 3HG2 THR 36 50.970 0.892 3.316
249 3HG2 THR 36 2HG2 THR 36 51.530 -0.409 2.262
250 H ILE 37 H ILE 37 50.499 -0.911 -0.889
251 HA ILE 37 HA ILE 37 52.742 -2.457 -0.334
252 HB ILE 37 HB ILE 37 50.743 -2.737 -2.571
253 1HG1 ILE 37 2HG1 ILE 37 49.618 -2.589 -0.456
254 2HG1 ILE 37 1HG1 ILE 37 49.610 -4.269 -0.976
255 1HG2 ILE 37 3HG2 ILE 37 52.642 -4.726 -1.338
256 2HG2 ILE 37 2HG2 ILE 37 51.281 -5.167 -2.374
257 3HG2 ILE 37 1HG2 ILE 37 52.596 -4.180 -3.015
258 1HD1 ILE 37 2HD1 ILE 37 51.944 -4.094 0.486
259 2HD1 ILE 37 1HD1 ILE 37 50.828 -3.063 1.385
260 3HD1 ILE 37 3HD1 ILE 37 50.411 -4.749 1.068
261 H GLY 38 H GLY 38 52.241 -0.114 -2.822
262 1HA GLY 38 2HA GLY 38 54.360 -1.117 -4.541
263 2HA GLY 38 1HA GLY 38 53.400 0.340 -4.795
264 H ILE 39 H ILE 39 54.014 1.077 -1.894
265 HA ILE 39 HA ILE 39 56.542 2.428 -2.502
266 HB ILE 39 HB ILE 39 55.119 2.877 0.069
267 1HG1 ILE 39 2HG1 ILE 39 53.227 2.916 -1.377
268 2HG1 ILE 39 1HG1 ILE 39 53.667 4.571 -1.032
269 1HG2 ILE 39 3HG2 ILE 39 57.269 4.021 -0.871
270 2HG2 ILE 39 2HG2 ILE 39 56.107 4.985 -1.786
271 3HG2 ILE 39 1HG2 ILE 39 56.048 4.975 -0.025
272 1HD1 ILE 39 3HD1 ILE 39 54.936 4.584 -3.222
273 2HD1 ILE 39 2HD1 ILE 39 54.146 3.048 -3.587
274 3HD1 ILE 39 1HD1 ILE 39 53.180 4.502 -3.350
275 H LYS 40 H LYS 40 55.114 0.128 -0.308
276 HA LYS 40 HA LYS 40 57.192 -0.124 1.550
277 1HB LYS 40 2HB LYS 40 54.750 -1.172 1.369
278 2HB LYS 40 1HB LYS 40 55.665 -2.529 0.725
279 1HG LYS 40 2HG LYS 40 55.883 -3.095 2.899
280 2HG LYS 40 1HG LYS 40 57.155 -1.877 2.901
281 1HD LYS 40 2HD LYS 40 54.297 -1.128 3.429
282 2HD LYS 40 1HD LYS 40 55.307 -1.762 4.725
283 1HE LYS 40 2HE LYS 40 55.692 0.775 3.123
284 2HE LYS 40 1HE LYS 40 55.464 0.615 4.864
285 1HZ LYS 40 2HZ LYS 40 57.655 -0.865 4.480
286 2HZ LYS 40 1HZ LYS 40 57.867 0.330 3.293
287 3HZ LYS 40 3HZ LYS 40 57.671 0.777 4.916
288 H LEU 41 H LEU 41 56.551 -1.806 -1.490
289 HA LEU 41 HA LEU 41 58.681 -3.608 -1.469
290 1HB LEU 41 2HB LEU 41 57.027 -2.311 -3.585
291 2HB LEU 41 1HB LEU 41 58.455 -3.210 -4.075
292 HG LEU 41 HG LEU 41 56.355 -4.361 -2.244
293 1HD1 LEU 41 1HD1 LEU 41 56.361 -4.110 -5.209
294 2HD1 LEU 41 3HD1 LEU 41 55.763 -5.613 -4.500
295 3HD1 LEU 41 2HD1 LEU 41 55.012 -4.074 -4.072
296 1HD2 LEU 41 1HD2 LEU 41 58.743 -5.356 -2.530
297 2HD2 LEU 41 3HD2 LEU 41 57.346 -6.430 -2.600
298 3HD2 LEU 41 2HD2 LEU 41 58.135 -5.914 -4.091
299 H PHE 42 H PHE 42 58.607 -0.191 -2.028
300 HA PHE 42 HA PHE 42 61.244 -0.088 -3.240
301 1HB PHE 42 2HB PHE 42 59.277 1.452 -3.773
302 2HB PHE 42 1HB PHE 42 59.623 2.239 -2.239
303 HD1 PHE 42 HD1 PHE 42 61.038 1.400 -5.559
304 HD2 PHE 42 HD2 PHE 42 61.390 3.792 -2.039
305 HE1 PHE 42 HE1 PHE 42 62.757 2.778 -6.665
306 HE2 PHE 42 HE2 PHE 42 63.109 5.167 -3.146
307 HZ PHE 42 HZ PHE 42 63.792 4.662 -5.458
308 H LYS 43 H LYS 43 59.726 0.662 -0.132
309 HA LYS 43 HA LYS 43 62.007 1.861 1.052
310 1HB LYS 43 2HB LYS 43 59.521 0.608 2.173
311 2HB LYS 43 1HB LYS 43 60.787 1.244 3.220
312 1HG LYS 43 2HG LYS 43 59.780 2.997 1.015
313 2HG LYS 43 1HG LYS 43 58.731 2.751 2.401
314 1HD LYS 43 2HD LYS 43 59.998 4.020 3.776
315 2HD LYS 43 1HD LYS 43 61.515 3.439 3.103
316 1HE LYS 43 2HE LYS 43 60.671 5.946 2.765
317 2HE LYS 43 1HE LYS 43 61.618 5.109 1.539
318 1HZ LYS 43 3HZ LYS 43 58.688 4.887 1.483
319 2HZ LYS 43 2HZ LYS 43 59.415 6.318 0.924
320 3HZ LYS 43 1HZ LYS 43 59.798 4.828 0.202
321 H LYS 44 H LYS 44 60.665 -1.420 1.242
322 HA LYS 44 HA LYS 44 62.309 -2.627 3.043
323 1HB LYS 44 2HB LYS 44 60.443 -3.696 1.786
324 2HB LYS 44 1HB LYS 44 61.498 -3.847 0.401
325 1HG LYS 44 2HG LYS 44 62.234 -5.005 3.091
326 2HG LYS 44 1HG LYS 44 61.217 -5.887 1.949
327 1HD LYS 44 2HD LYS 44 64.107 -5.027 1.569
328 2HD LYS 44 1HD LYS 44 63.483 -6.681 1.521
329 1HE LYS 44 2HE LYS 44 63.045 -4.481 -0.520
330 2HE LYS 44 1HE LYS 44 63.931 -5.984 -0.740
331 1HZ LYS 44 3HZ LYS 44 61.681 -7.055 -0.130
332 2HZ LYS 44 2HZ LYS 44 61.027 -5.546 -0.552
333 3HZ LYS 44 1HZ LYS 44 61.908 -6.443 -1.694
334 H PHE 45 H PHE 45 63.031 -2.269 -0.430
335 HA PHE 45 HA PHE 45 65.656 -3.359 -0.236
336 1HB PHE 45 2HB PHE 45 64.069 -1.906 -2.294
337 2HB PHE 45 1HB PHE 45 65.808 -1.927 -2.472
338 HD1 PHE 45 HD1 PHE 45 67.009 -4.204 -2.502
339 HD2 PHE 45 HD2 PHE 45 62.760 -3.793 -2.956
340 HE1 PHE 45 HE1 PHE 45 66.882 -6.450 -3.484
341 HE2 PHE 45 HE2 PHE 45 62.661 -6.041 -3.935
342 HZ PHE 45 HZ PHE 45 64.715 -7.371 -4.201
343 H THR 46 H THR 46 64.344 -0.082 -0.193
344 HA THR 46 HA THR 46 66.988 1.086 0.084
345 HB THR 46 HB THR 46 65.785 3.196 -0.011
346 HG1 THR 46 HG1 THR 46 63.685 3.315 0.272
347 1HG2 THR 46 2HG2 THR 46 66.218 1.626 -2.076
348 2HG2 THR 46 1HG2 THR 46 64.456 1.556 -2.117
349 3HG2 THR 46 3HG2 THR 46 65.279 3.111 -2.258
350 H SER 47 H SER 47 66.875 -0.453 2.125
351 HA SER 47 HA SER 47 66.721 1.294 4.412
352 1HB SER 47 2HB SER 47 64.972 0.352 5.579
353 2HB SER 47 1HB SER 47 64.353 0.271 3.934
354 HG SER 47 HG SER 47 64.763 -1.735 5.630
355 H LYS 48 H LYS 48 66.815 -2.157 3.514
356 HA LYS 48 HA LYS 48 68.393 -3.015 5.644
357 1HB LYS 48 2HB LYS 48 68.222 -4.226 2.907
358 2HB LYS 48 1HB LYS 48 68.741 -5.018 4.388
359 1HG LYS 48 2HG LYS 48 66.379 -4.454 5.281
360 2HG LYS 48 1HG LYS 48 65.971 -4.108 3.603
361 1HD LYS 48 2HD LYS 48 66.933 -6.732 4.746
362 2HD LYS 48 1HD LYS 48 65.340 -6.379 4.081
363 1HE LYS 48 2HE LYS 48 66.194 -7.286 2.194
364 2HE LYS 48 1HE LYS 48 66.926 -5.698 1.983
365 1HZ LYS 48 1HZ LYS 48 68.627 -7.081 3.642
366 2HZ LYS 48 3HZ LYS 48 68.171 -8.207 2.457
367 3HZ LYS 48 2HZ LYS 48 68.869 -6.728 1.997
368 H ALA 49 H ALA 49 69.857 -1.138 5.447
369 HA ALA 49 HA ALA 49 72.361 -2.030 4.603
370 1HB ALA 49 3HB ALA 49 70.959 -0.050 2.850
371 2HB ALA 49 2HB ALA 49 72.718 -0.002 3.004
372 3HB ALA 49 1HB ALA 49 71.923 -1.455 2.392
373 H SER 50 H SER 50 74.022 -0.856 5.538
374 HA SER 50 HA SER 50 73.964 1.784 6.413
375 1HB SER 50 2HB SER 50 72.212 0.281 7.936
376 2HB SER 50 1HB SER 50 73.671 0.326 8.919
377 HG SER 50 HG SER 50 72.382 2.594 7.759
No H/Q in entry = 377
Start of MODEL 19
1 1H ALA 1 3H ALA 1 2.092 1.001 -3.993
2 2H ALA 1 2H ALA 1 1.136 -0.403 -4.038
3 3H ALA 1 1H ALA 1 2.375 -0.253 -2.886
4 HA ALA 1 HA ALA 1 4.056 -0.359 -4.534
5 1HB ALA 1 1HB ALA 1 1.938 -2.478 -5.022
6 2HB ALA 1 3HB ALA 1 3.637 -2.616 -5.481
7 3HB ALA 1 2HB ALA 1 3.185 -2.536 -3.773
8 H GLU 2 H GLU 2 0.859 -0.706 -6.082
9 HA GLU 2 HA GLU 2 1.586 -0.545 -8.727
10 1HB GLU 2 2HB GLU 2 -0.833 0.797 -7.520
11 2HB GLU 2 1HB GLU 2 -0.647 0.244 -9.183
12 1HG GLU 2 2HG GLU 2 -0.194 -2.082 -8.044
13 2HG GLU 2 1HG GLU 2 -1.058 -1.356 -6.688
14 H GLY 3 H GLY 3 1.573 1.211 -10.253
15 1HA GLY 3 2HA GLY 3 2.380 3.220 -11.027
16 2HA GLY 3 1HA GLY 3 1.468 3.929 -9.695
17 H ASP 4 H ASP 4 3.608 5.306 -10.233
18 HA ASP 4 HA ASP 4 6.010 4.384 -8.960
19 1HB ASP 4 2HB ASP 4 5.528 6.279 -10.810
20 2HB ASP 4 1HB ASP 4 5.599 7.284 -9.362
21 H ASP 5 H ASP 5 3.727 6.987 -8.194
22 HA ASP 5 HA ASP 5 3.114 7.965 -6.211
23 1HB ASP 5 2HB ASP 5 2.418 5.593 -5.772
24 2HB ASP 5 1HB ASP 5 3.971 5.347 -4.970
25 HA PRO 6 HA PRO 6 7.332 9.114 -4.982
26 1HB PRO 6 2HB PRO 6 6.938 11.788 -5.060
27 2HB PRO 6 1HB PRO 6 7.318 10.818 -6.491
28 1HG PRO 6 2HG PRO 6 4.784 12.074 -5.705
29 2HG PRO 6 1HG PRO 6 5.348 11.571 -7.305
30 1HD PRO 6 2HD PRO 6 3.522 10.203 -5.597
31 2HD PRO 6 1HD PRO 6 4.158 9.663 -7.162
32 H ALA 7 H ALA 7 4.511 8.996 -3.376
33 HA ALA 7 HA ALA 7 5.046 10.823 -1.207
34 1HB ALA 7 3HB ALA 7 2.744 10.089 -1.964
35 2HB ALA 7 2HB ALA 7 3.091 8.524 -1.225
36 3HB ALA 7 1HB ALA 7 3.043 9.980 -0.228
37 H LYS 8 H LYS 8 4.618 7.285 -1.225
38 HA LYS 8 HA LYS 8 6.003 6.891 1.218
39 1HB LYS 8 2HB LYS 8 5.746 4.554 0.745
40 2HB LYS 8 1HB LYS 8 4.265 5.373 0.273
41 1HG LYS 8 2HG LYS 8 5.125 5.418 -2.090
42 2HG LYS 8 1HG LYS 8 6.502 4.460 -1.551
43 1HD LYS 8 2HD LYS 8 4.470 3.235 -2.614
44 2HD LYS 8 1HD LYS 8 5.229 2.553 -1.183
45 1HE LYS 8 2HE LYS 8 2.705 2.555 -1.157
46 2HE LYS 8 1HE LYS 8 3.454 3.331 0.235
47 1HZ LYS 8 3HZ LYS 8 3.179 5.427 -1.343
48 2HZ LYS 8 2HZ LYS 8 1.901 4.490 -1.947
49 3HZ LYS 8 1HZ LYS 8 1.946 4.909 -0.303
50 H ALA 9 H ALA 9 6.944 6.965 -2.135
51 HA ALA 9 HA ALA 9 9.308 5.592 -2.235
52 1HB ALA 9 2HB ALA 9 8.115 7.803 -3.681
53 2HB ALA 9 1HB ALA 9 9.872 7.947 -3.613
54 3HB ALA 9 3HB ALA 9 9.132 6.490 -4.277
55 H ALA 10 H ALA 10 9.205 9.105 -1.593
56 HA ALA 10 HA ALA 10 11.812 9.481 -0.801
57 1HB ALA 10 3HB ALA 10 9.951 11.216 -1.077
58 2HB ALA 10 2HB ALA 10 9.518 10.848 0.594
59 3HB ALA 10 1HB ALA 10 11.117 11.496 0.218
60 H PHE 11 H PHE 11 9.106 8.297 1.132
61 HA PHE 11 HA PHE 11 10.477 8.266 3.625
62 1HB PHE 11 2HB PHE 11 7.945 8.132 3.133
63 2HB PHE 11 1HB PHE 11 8.228 6.414 2.909
64 HD1 PHE 11 HD1 PHE 11 9.606 5.246 4.831
65 HD2 PHE 11 HD2 PHE 11 7.393 8.883 5.306
66 HE1 PHE 11 HE1 PHE 11 9.499 4.874 7.261
67 HE2 PHE 11 HE2 PHE 11 7.295 8.495 7.730
68 HZ PHE 11 HZ PHE 11 8.345 6.496 8.710
69 H ASN 12 H ASN 12 10.062 5.928 1.025
70 HA ASN 12 HA ASN 12 11.338 3.770 2.441
71 1HB ASN 12 2HB ASN 12 9.645 3.391 0.676
72 2HB ASN 12 1HB ASN 12 10.763 4.064 -0.512
73 1HD2 ASN 12 2HD2 ASN 12 11.553 0.642 -0.983
74 2HD2 ASN 12 1HD2 ASN 12 10.574 1.951 -1.540
75 H SER 13 H SER 13 12.276 5.926 -0.231
76 HA SER 13 HA SER 13 14.880 4.907 -0.587
77 1HB SER 13 2HB SER 13 14.584 7.773 -1.102
78 2HB SER 13 1HB SER 13 15.013 6.463 -2.203
79 HG SER 13 HG SER 13 12.984 6.292 -2.792
80 H LEU 14 H LEU 14 13.539 7.224 1.654
81 HA LEU 14 HA LEU 14 15.790 8.574 2.523
82 1HB LEU 14 2HB LEU 14 13.544 9.165 3.251
83 2HB LEU 14 1HB LEU 14 13.368 7.636 4.069
84 HG LEU 14 HG LEU 14 13.934 9.754 5.435
85 1HD1 LEU 14 3HD1 LEU 14 13.741 7.501 6.374
86 2HD1 LEU 14 2HD1 LEU 14 15.431 7.195 5.965
87 3HD1 LEU 14 1HD1 LEU 14 15.022 8.428 7.154
88 1HD2 LEU 14 3HD2 LEU 14 16.068 10.287 4.071
89 2HD2 LEU 14 2HD2 LEU 14 16.180 10.348 5.824
90 3HD2 LEU 14 1HD2 LEU 14 16.797 8.950 4.962
91 H GLN 15 H GLN 15 14.618 5.370 3.452
92 HA GLN 15 HA GLN 15 16.603 4.917 5.455
93 1HB GLN 15 2HB GLN 15 14.420 3.762 5.407
94 2HB GLN 15 1HB GLN 15 14.923 2.915 3.947
95 1HG GLN 15 2HG GLN 15 15.254 1.507 5.920
96 2HG GLN 15 1HG GLN 15 16.802 1.918 5.184
97 1HE2 GLN 15 2HD2 GLN 15 17.583 2.549 8.605
98 2HE2 GLN 15 1HD2 GLN 15 17.543 1.313 7.398
99 H ALA 16 H ALA 16 16.348 4.188 2.013
100 HA ALA 16 HA ALA 16 18.997 2.895 2.099
101 1HB ALA 16 2HB ALA 16 17.176 1.598 1.081
102 2HB ALA 16 1HB ALA 16 16.916 2.896 -0.086
103 3HB ALA 16 3HB ALA 16 18.432 1.992 -0.096
104 H SER 17 H SER 17 18.400 5.840 2.137
105 HA SER 17 HA SER 17 19.791 6.606 -0.355
106 1HB SER 17 2HB SER 17 17.744 7.758 -0.319
107 2HB SER 17 1HB SER 17 17.855 8.076 1.407
108 HG SER 17 HG SER 17 18.473 9.962 0.460
109 H ALA 18 H ALA 18 19.704 7.045 3.149
110 HA ALA 18 HA ALA 18 21.964 8.801 3.249
111 1HB ALA 18 1HB ALA 18 20.005 8.307 4.981
112 2HB ALA 18 3HB ALA 18 21.196 7.170 5.614
113 3HB ALA 18 2HB ALA 18 21.587 8.887 5.504
114 H THR 19 H THR 19 21.559 5.367 3.106
115 HA THR 19 HA THR 19 24.347 4.919 3.937
116 HB THR 19 HB THR 19 23.799 2.611 4.143
117 HG1 THR 19 HG1 THR 19 22.145 1.709 3.147
118 1HG2 THR 19 3HG2 THR 19 22.783 4.362 5.829
119 2HG2 THR 19 2HG2 THR 19 21.249 3.821 5.145
120 3HG2 THR 19 1HG2 THR 19 22.323 2.662 5.928
121 H GLU 20 H GLU 20 23.449 6.121 1.342
122 HA GLU 20 HA GLU 20 24.134 4.103 -0.621
123 1HB GLU 20 2HB GLU 20 22.626 6.457 -0.638
124 2HB GLU 20 1HB GLU 20 24.027 6.796 -1.649
125 1HG GLU 20 2HG GLU 20 22.110 5.852 -2.922
126 2HG GLU 20 1HG GLU 20 23.564 4.862 -3.027
127 H TYR 21 H TYR 21 25.794 6.315 1.300
128 HA TYR 21 HA TYR 21 28.085 6.410 -0.552
129 1HB TYR 21 2HB TYR 21 27.318 8.135 1.790
130 2HB TYR 21 1HB TYR 21 28.901 8.203 1.035
131 HD1 TYR 21 HD1 TYR 21 29.082 8.874 -1.380
132 HD2 TYR 21 HD2 TYR 21 25.430 9.197 0.814
133 HE1 TYR 21 HE1 TYR 21 28.195 10.429 -3.072
134 HE2 TYR 21 HE2 TYR 21 24.553 10.750 -0.882
135 HH TYR 21 HH TYR 21 24.872 11.482 -3.050
136 H ILE 22 H ILE 22 26.978 5.046 2.403
137 HA ILE 22 HA ILE 22 29.677 4.486 3.375
138 HB ILE 22 HB ILE 22 27.001 3.641 4.467
139 1HG1 ILE 22 2HG1 ILE 22 28.682 6.103 5.140
140 2HG1 ILE 22 1HG1 ILE 22 26.988 6.041 4.635
141 1HG2 ILE 22 3HG2 ILE 22 28.795 2.196 5.230
142 2HG2 ILE 22 2HG2 ILE 22 29.747 3.585 5.756
143 3HG2 ILE 22 1HG2 ILE 22 28.232 3.194 6.572
144 1HD1 ILE 22 2HD1 ILE 22 27.994 4.861 7.231
145 2HD1 ILE 22 1HD1 ILE 22 27.336 6.491 7.075
146 3HD1 ILE 22 3HD1 ILE 22 26.316 5.091 6.733
147 H GLY 23 H GLY 23 30.193 3.243 1.499
148 1HA GLY 23 2HA GLY 23 30.227 0.501 1.883
149 2HA GLY 23 1HA GLY 23 28.867 0.822 0.808
150 H TYR 24 H TYR 24 29.751 2.829 -0.765
151 HA TYR 24 HA TYR 24 31.617 1.483 -2.503
152 1HB TYR 24 2HB TYR 24 30.507 4.262 -2.820
153 2HB TYR 24 1HB TYR 24 31.127 3.201 -4.074
154 HD1 TYR 24 HD1 TYR 24 29.874 1.002 -4.506
155 HD2 TYR 24 HD2 TYR 24 28.187 4.247 -2.276
156 HE1 TYR 24 HE1 TYR 24 27.614 0.100 -4.880
157 HE2 TYR 24 HE2 TYR 24 25.941 3.328 -2.661
158 HH TYR 24 HH TYR 24 24.881 1.203 -3.187
159 H ALA 25 H ALA 25 31.754 3.989 -0.120
160 HA ALA 25 HA ALA 25 34.184 5.215 -1.016
161 1HB ALA 25 3HB ALA 25 32.417 6.228 0.525
162 2HB ALA 25 2HB ALA 25 33.127 5.240 1.805
163 3HB ALA 25 1HB ALA 25 34.103 6.465 0.990
164 H TRP 26 H TRP 26 33.391 2.411 0.853
165 HA TRP 26 HA TRP 26 35.865 2.144 2.244
166 1HB TRP 26 2HB TRP 26 33.404 0.657 1.984
167 2HB TRP 26 1HB TRP 26 34.789 -0.416 1.870
168 HD1 TRP 26 1HD TRP 26 32.881 1.761 4.350
169 HE1 TRP 26 1HE TRP 26 33.850 1.374 6.679
170 HE3 TRP 26 3HE TRP 26 37.021 -1.009 3.153
171 HZ2 TRP 26 2HZ TRP 26 36.036 0.098 7.886
172 HZ3 TRP 26 3HZ TRP 26 38.512 -1.782 4.953
173 HH2 TRP 26 HH2 TRP 26 38.026 -1.235 7.300
174 H ALA 27 H ALA 27 34.630 0.942 -0.838
175 HA ALA 27 HA ALA 27 36.649 -0.840 -1.523
176 1HB ALA 27 3HB ALA 27 34.420 0.094 -2.760
177 2HB ALA 27 2HB ALA 27 35.679 0.879 -3.715
178 3HB ALA 27 1HB ALA 27 35.657 -0.880 -3.558
179 H MET 28 H MET 28 36.500 2.678 -2.054
180 HA MET 28 HA MET 28 38.881 2.970 -3.439
181 1HB MET 28 2HB MET 28 37.163 4.711 -3.220
182 2HB MET 28 1HB MET 28 37.521 4.851 -1.515
183 1HG MET 28 2HG MET 28 39.994 5.254 -2.636
184 2HG MET 28 1HG MET 28 38.924 6.023 -3.800
185 1HE MET 28 1HE MET 28 39.620 5.407 -0.223
186 2HE MET 28 3HE MET 28 39.819 7.014 0.492
187 3HE MET 28 2HE MET 28 38.225 6.265 0.427
188 H VAL 29 H VAL 29 38.209 3.120 0.040
189 HA VAL 29 HA VAL 29 40.747 3.775 0.975
190 HB VAL 29 HB VAL 29 38.602 2.052 2.207
191 1HG1 VAL 29 2HG1 VAL 29 41.039 3.309 3.463
192 2HG1 VAL 29 1HG1 VAL 29 39.698 2.598 4.363
193 3HG1 VAL 29 3HG1 VAL 29 40.691 1.585 3.315
194 1HG2 VAL 29 2HG2 VAL 29 38.450 4.681 1.571
195 2HG2 VAL 29 1HG2 VAL 29 37.597 3.941 2.928
196 3HG2 VAL 29 3HG2 VAL 29 39.127 4.776 3.198
197 H VAL 30 H VAL 30 39.357 0.646 0.109
198 HA VAL 30 HA VAL 30 41.484 -0.972 0.997
199 HB VAL 30 HB VAL 30 39.478 -1.396 -1.214
200 1HG1 VAL 30 2HG1 VAL 30 41.423 -2.885 -1.366
201 2HG1 VAL 30 1HG1 VAL 30 41.134 -3.410 0.294
202 3HG1 VAL 30 3HG1 VAL 30 39.944 -3.758 -0.961
203 1HG2 VAL 30 2HG2 VAL 30 38.852 -0.991 1.352
204 2HG2 VAL 30 1HG2 VAL 30 37.976 -2.130 0.327
205 3HG2 VAL 30 3HG2 VAL 30 39.225 -2.715 1.429
206 H VAL 31 H VAL 31 40.983 0.983 -1.839
207 HA VAL 31 HA VAL 31 43.074 -0.223 -3.390
208 HB VAL 31 HB VAL 31 41.499 2.323 -3.707
209 1HG1 VAL 31 1HG1 VAL 31 43.903 1.518 -4.996
210 2HG1 VAL 31 3HG1 VAL 31 42.587 1.443 -6.168
211 3HG1 VAL 31 2HG1 VAL 31 42.910 2.945 -5.298
212 1HG2 VAL 31 1HG2 VAL 31 40.318 0.079 -3.880
213 2HG2 VAL 31 3HG2 VAL 31 40.177 1.141 -5.282
214 3HG2 VAL 31 2HG2 VAL 31 41.301 -0.220 -5.315
215 H ILE 32 H ILE 32 42.769 2.331 -1.091
216 HA ILE 32 HA ILE 32 45.242 3.644 -1.729
217 HB ILE 32 HB ILE 32 43.510 3.766 0.739
218 1HG1 ILE 32 2HG1 ILE 32 43.746 5.571 -1.676
219 2HG1 ILE 32 1HG1 ILE 32 42.362 4.575 -1.237
220 1HG2 ILE 32 3HG2 ILE 32 45.878 4.400 1.155
221 2HG2 ILE 32 2HG2 ILE 32 45.734 5.632 -0.101
222 3HG2 ILE 32 1HG2 ILE 32 44.751 5.742 1.361
223 1HD1 ILE 32 2HD1 ILE 32 43.275 6.490 0.833
224 2HD1 ILE 32 1HD1 ILE 32 42.561 7.198 -0.615
225 3HD1 ILE 32 3HD1 ILE 32 41.639 6.045 0.349
226 H VAL 33 H VAL 33 44.308 0.880 0.113
227 HA VAL 33 HA VAL 33 46.496 0.762 1.905
228 HB VAL 33 HB VAL 33 44.480 -1.194 0.838
229 1HG1 VAL 33 1HG1 VAL 33 46.693 -1.791 2.790
230 2HG1 VAL 33 3HG1 VAL 33 45.299 -2.830 2.491
231 3HG1 VAL 33 2HG1 VAL 33 46.455 -2.511 1.198
232 1HG2 VAL 33 1HG2 VAL 33 43.827 0.557 2.497
233 2HG2 VAL 33 3HG2 VAL 33 43.559 -1.099 3.043
234 3HG2 VAL 33 2HG2 VAL 33 44.947 -0.188 3.641
235 H GLY 34 H GLY 34 45.806 -1.024 -1.115
236 1HA GLY 34 2HA GLY 34 48.173 -2.407 -1.411
237 2HA GLY 34 1HA GLY 34 47.218 -1.805 -2.766
238 H ALA 35 H ALA 35 47.583 0.996 -1.817
239 HA ALA 35 HA ALA 35 49.867 1.661 -3.354
240 1HB ALA 35 2HB ALA 35 47.708 3.042 -2.228
241 2HB ALA 35 1HB ALA 35 49.144 3.735 -1.472
242 3HB ALA 35 3HB ALA 35 48.992 3.719 -3.230
243 H THR 36 H THR 36 49.354 0.982 0.018
244 HA THR 36 HA THR 36 51.770 2.116 1.005
245 HB THR 36 HB THR 36 49.603 1.312 2.252
246 HG1 THR 36 HG1 THR 36 50.792 1.982 3.829
247 1HG2 THR 36 3HG2 THR 36 49.977 -1.108 1.567
248 2HG2 THR 36 2HG2 THR 36 51.335 -1.120 2.690
249 3HG2 THR 36 1HG2 THR 36 49.701 -0.825 3.285
250 H ILE 37 H ILE 37 50.851 -1.090 -0.150
251 HA ILE 37 HA ILE 37 53.213 -2.477 0.424
252 HB ILE 37 HB ILE 37 51.303 -2.816 -1.884
253 1HG1 ILE 37 2HG1 ILE 37 50.095 -2.860 0.186
254 2HG1 ILE 37 1HG1 ILE 37 50.258 -4.512 -0.393
255 1HG2 ILE 37 3HG2 ILE 37 53.567 -4.009 -1.970
256 2HG2 ILE 37 2HG2 ILE 37 52.963 -4.973 -0.619
257 3HG2 ILE 37 1HG2 ILE 37 52.112 -4.989 -2.166
258 1HD1 ILE 37 3HD1 ILE 37 52.509 -4.210 1.162
259 2HD1 ILE 37 2HD1 ILE 37 51.296 -3.284 2.049
260 3HD1 ILE 37 1HD1 ILE 37 51.009 -4.985 1.676
261 H GLY 38 H GLY 38 52.461 -0.131 -2.019
262 1HA GLY 38 2HA GLY 38 54.569 -0.752 -3.846
263 2HA GLY 38 1HA GLY 38 53.657 0.757 -3.773
264 H ILE 39 H ILE 39 54.157 1.991 -1.635
265 HA ILE 39 HA ILE 39 56.784 2.938 -1.812
266 HB ILE 39 HB ILE 39 54.850 3.173 0.488
267 1HG1 ILE 39 2HG1 ILE 39 55.152 5.459 -1.312
268 2HG1 ILE 39 1HG1 ILE 39 54.498 4.036 -2.110
269 1HG2 ILE 39 2HG2 ILE 39 57.530 3.996 0.232
270 2HG2 ILE 39 1HG2 ILE 39 56.536 5.445 0.093
271 3HG2 ILE 39 3HG2 ILE 39 56.385 4.407 1.510
272 1HD1 ILE 39 3HD1 ILE 39 53.318 4.587 0.525
273 2HD1 ILE 39 2HD1 ILE 39 53.015 5.833 -0.688
274 3HD1 ILE 39 1HD1 ILE 39 52.535 4.163 -0.999
275 H LYS 40 H LYS 40 55.300 0.583 0.373
276 HA LYS 40 HA LYS 40 57.425 0.252 2.168
277 1HB LYS 40 2HB LYS 40 54.959 -1.067 1.598
278 2HB LYS 40 1HB LYS 40 56.229 -2.269 1.682
279 1HG LYS 40 2HG LYS 40 55.706 -2.215 3.882
280 2HG LYS 40 1HG LYS 40 56.916 -0.940 3.872
281 1HD LYS 40 2HD LYS 40 53.907 -0.599 3.758
282 2HD LYS 40 1HD LYS 40 54.940 -0.243 5.130
283 1HE LYS 40 2HE LYS 40 55.817 1.683 4.132
284 2HE LYS 40 1HE LYS 40 55.362 1.170 2.502
285 1HZ LYS 40 2HZ LYS 40 52.981 1.298 3.551
286 2HZ LYS 40 1HZ LYS 40 53.740 2.414 4.584
287 3HZ LYS 40 3HZ LYS 40 53.746 2.672 2.907
288 H LEU 41 H LEU 41 56.700 -1.420 -0.863
289 HA LEU 41 HA LEU 41 58.935 -3.138 -0.875
290 1HB LEU 41 2HB LEU 41 57.134 -2.053 -3.022
291 2HB LEU 41 1HB LEU 41 58.466 -3.132 -3.404
292 HG LEU 41 HG LEU 41 56.392 -3.813 -1.331
293 1HD1 LEU 41 2HD1 LEU 41 56.308 -4.380 -4.294
294 2HD1 LEU 41 1HD1 LEU 41 55.292 -5.188 -3.099
295 3HD1 LEU 41 3HD1 LEU 41 55.144 -3.448 -3.349
296 1HD2 LEU 41 2HD2 LEU 41 58.656 -5.043 -1.551
297 2HD2 LEU 41 1HD2 LEU 41 57.182 -6.005 -1.456
298 3HD2 LEU 41 3HD2 LEU 41 57.962 -5.742 -3.016
299 H PHE 42 H PHE 42 58.449 0.128 -2.122
300 HA PHE 42 HA PHE 42 60.751 0.468 -3.634
301 1HB PHE 42 2HB PHE 42 58.770 2.054 -3.267
302 2HB PHE 42 1HB PHE 42 59.643 2.612 -1.847
303 HD1 PHE 42 HD1 PHE 42 61.983 3.538 -2.159
304 HD2 PHE 42 HD2 PHE 42 59.305 2.835 -5.408
305 HE1 PHE 42 HE1 PHE 42 63.310 5.052 -3.581
306 HE2 PHE 42 HE2 PHE 42 60.632 4.348 -6.830
307 HZ PHE 42 HZ PHE 42 62.635 5.457 -5.917
308 H LYS 43 H LYS 43 60.321 0.609 -0.147
309 HA LYS 43 HA LYS 43 62.909 1.683 0.402
310 1HB LYS 43 2HB LYS 43 60.912 0.262 2.151
311 2HB LYS 43 1HB LYS 43 62.395 1.001 2.754
312 1HG LYS 43 2HG LYS 43 60.637 2.694 1.040
313 2HG LYS 43 1HG LYS 43 60.040 2.315 2.644
314 1HD LYS 43 2HD LYS 43 61.594 3.600 3.700
315 2HD LYS 43 1HD LYS 43 62.848 3.271 2.514
316 1HE LYS 43 2HE LYS 43 61.665 5.659 2.737
317 2HE LYS 43 1HE LYS 43 62.262 5.045 1.199
318 1HZ LYS 43 1HZ LYS 43 59.494 4.510 2.078
319 2HZ LYS 43 3HZ LYS 43 59.896 5.971 1.316
320 3HZ LYS 43 2HZ LYS 43 60.134 4.498 0.505
321 H LYS 44 H LYS 44 61.538 -1.570 0.941
322 HA LYS 44 HA LYS 44 63.759 -2.884 1.847
323 1HB LYS 44 2HB LYS 44 61.528 -3.886 1.676
324 2HB LYS 44 1HB LYS 44 61.697 -3.986 -0.060
325 1HG LYS 44 2HG LYS 44 63.851 -5.225 1.573
326 2HG LYS 44 1HG LYS 44 62.274 -6.029 1.575
327 1HD LYS 44 2HD LYS 44 63.857 -5.314 -0.926
328 2HD LYS 44 1HD LYS 44 63.725 -6.952 -0.265
329 1HE LYS 44 2HE LYS 44 61.541 -5.241 -1.481
330 2HE LYS 44 1HE LYS 44 62.129 -6.804 -2.037
331 1HZ LYS 44 1HZ LYS 44 61.271 -7.771 0.038
332 2HZ LYS 44 3HZ LYS 44 60.625 -6.262 0.467
333 3HZ LYS 44 2HZ LYS 44 60.048 -7.073 -0.911
334 H PHE 45 H PHE 45 62.821 -2.615 -1.591
335 HA PHE 45 HA PHE 45 64.962 -3.940 -2.756
336 1HB PHE 45 2HB PHE 45 63.135 -1.753 -3.602
337 2HB PHE 45 1HB PHE 45 64.585 -2.009 -4.541
338 HD1 PHE 45 HD1 PHE 45 64.934 -4.071 -5.842
339 HD2 PHE 45 HD2 PHE 45 61.366 -3.465 -3.548
340 HE1 PHE 45 HE1 PHE 45 63.849 -5.936 -7.013
341 HE2 PHE 45 HE2 PHE 45 60.297 -5.334 -4.730
342 HZ PHE 45 HZ PHE 45 61.536 -6.570 -6.461
343 H THR 46 H THR 46 64.793 -0.574 -1.657
344 HA THR 46 HA THR 46 67.502 -0.039 -2.512
345 HB THR 46 HB THR 46 67.078 2.173 -1.577
346 HG1 THR 46 HG1 THR 46 65.019 2.588 -0.667
347 1HG2 THR 46 3HG2 THR 46 65.662 0.930 -3.702
348 2HG2 THR 46 2HG2 THR 46 64.571 2.070 -2.912
349 3HG2 THR 46 1HG2 THR 46 66.124 2.626 -3.540
350 H SER 47 H SER 47 66.063 -1.451 0.212
351 HA SER 47 HA SER 47 68.496 -0.934 1.802
352 1HB SER 47 2HB SER 47 65.639 -0.713 2.543
353 2HB SER 47 1HB SER 47 66.702 -1.464 3.729
354 HG SER 47 HG SER 47 66.945 1.114 2.540
355 H LYS 48 H LYS 48 67.960 -3.114 -0.041
356 HA LYS 48 HA LYS 48 67.046 -5.471 0.975
357 1HB LYS 48 2HB LYS 48 69.131 -4.712 -0.962
358 2HB LYS 48 1HB LYS 48 69.289 -6.333 -0.292
359 1HG LYS 48 2HG LYS 48 67.093 -6.941 -1.086
360 2HG LYS 48 1HG LYS 48 66.751 -5.272 -1.558
361 1HD LYS 48 2HD LYS 48 67.781 -5.529 -3.520
362 2HD LYS 48 1HD LYS 48 69.197 -6.250 -2.760
363 1HE LYS 48 2HE LYS 48 66.630 -7.716 -3.398
364 2HE LYS 48 1HE LYS 48 68.103 -7.788 -4.360
365 1HZ LYS 48 3HZ LYS 48 69.245 -8.636 -2.351
366 2HZ LYS 48 2HZ LYS 48 67.740 -8.713 -1.566
367 3HZ LYS 48 1HZ LYS 48 68.036 -9.673 -2.935
368 H ALA 49 H ALA 49 70.505 -4.618 1.090
369 HA ALA 49 HA ALA 49 71.057 -4.839 3.707
370 1HB ALA 49 3HB ALA 49 70.281 -7.423 2.692
371 2HB ALA 49 2HB ALA 49 71.949 -7.460 3.272
372 3HB ALA 49 1HB ALA 49 70.649 -6.946 4.351
373 H SER 50 H SER 50 73.348 -5.243 4.178
374 HA SER 50 HA SER 50 75.566 -4.883 3.724
375 1HB SER 50 2HB SER 50 76.536 -6.324 2.195
376 2HB SER 50 1HB SER 50 75.003 -7.129 2.512
377 HG SER 50 HG SER 50 75.877 -6.493 0.182
No H/Q in entry = 377
Start of MODEL 20
1 1H ALA 1 3H ALA 1 21.999 -13.650 34.946
2 2H ALA 1 2H ALA 1 21.797 -15.027 35.920
3 3H ALA 1 1H ALA 1 20.663 -13.764 35.984
4 HA ALA 1 HA ALA 1 21.834 -12.599 37.435
5 1HB ALA 1 3HB ALA 1 23.418 -15.185 37.503
6 2HB ALA 1 2HB ALA 1 23.562 -13.910 38.714
7 3HB ALA 1 1HB ALA 1 22.030 -14.770 38.513
8 H GLU 2 H GLU 2 22.910 -10.862 36.812
9 HA GLU 2 HA GLU 2 24.525 -9.491 35.928
10 1HB GLU 2 2HB GLU 2 25.750 -11.277 37.659
11 2HB GLU 2 1HB GLU 2 26.745 -11.351 36.206
12 1HG GLU 2 2HG GLU 2 27.683 -9.610 37.499
13 2HG GLU 2 1HG GLU 2 26.729 -8.792 36.261
14 H GLY 3 H GLY 3 23.971 -9.420 33.776
15 1HA GLY 3 2HA GLY 3 25.707 -10.058 31.802
16 2HA GLY 3 1HA GLY 3 24.717 -11.508 31.938
17 H ASP 4 H ASP 4 24.976 -8.479 30.520
18 HA ASP 4 HA ASP 4 22.117 -8.214 30.001
19 1HB ASP 4 2HB ASP 4 23.122 -6.119 28.726
20 2HB ASP 4 1HB ASP 4 22.803 -6.086 30.451
21 H ASP 5 H ASP 5 24.904 -7.558 27.927
22 HA ASP 5 HA ASP 5 24.523 -9.666 26.117
23 1HB ASP 5 2HB ASP 5 22.399 -8.175 25.818
24 2HB ASP 5 1HB ASP 5 23.497 -7.117 24.930
25 HA PRO 6 HA PRO 6 28.289 -7.108 25.439
26 1HB PRO 6 2HB PRO 6 30.105 -8.828 26.468
27 2HB PRO 6 1HB PRO 6 29.225 -7.644 27.447
28 1HG PRO 6 2HG PRO 6 28.953 -10.550 27.374
29 2HG PRO 6 1HG PRO 6 28.384 -9.397 28.591
30 1HD PRO 6 2HD PRO 6 26.883 -10.666 26.473
31 2HD PRO 6 1HD PRO 6 26.293 -9.613 27.775
32 H ALA 7 H ALA 7 26.911 -9.637 24.026
33 HA ALA 7 HA ALA 7 29.239 -10.590 22.518
34 1HB ALA 7 2HB ALA 7 26.363 -11.513 22.606
35 2HB ALA 7 1HB ALA 7 27.597 -12.212 21.555
36 3HB ALA 7 3HB ALA 7 27.763 -12.324 23.309
37 H LYS 8 H LYS 8 28.809 -7.992 21.964
38 HA LYS 8 HA LYS 8 28.139 -6.412 20.445
39 1HB LYS 8 2HB LYS 8 28.832 -8.378 18.390
40 2HB LYS 8 1HB LYS 8 29.279 -6.698 18.550
41 1HG LYS 8 2HG LYS 8 30.939 -7.179 20.188
42 2HG LYS 8 1HG LYS 8 30.360 -8.830 20.390
43 1HD LYS 8 2HD LYS 8 31.940 -7.631 18.120
44 2HD LYS 8 1HD LYS 8 32.303 -9.058 19.081
45 1HE LYS 8 2HE LYS 8 30.288 -8.762 16.850
46 2HE LYS 8 1HE LYS 8 31.641 -9.886 16.966
47 1HZ LYS 8 1HZ LYS 8 30.018 -10.349 19.170
48 2HZ LYS 8 3HZ LYS 8 28.982 -10.228 17.833
49 3HZ LYS 8 2HZ LYS 8 30.253 -11.353 17.822
50 H ALA 9 H ALA 9 25.867 -6.769 20.931
51 HA ALA 9 HA ALA 9 24.273 -8.270 19.021
52 1HB ALA 9 1HB ALA 9 23.652 -6.712 21.514
53 2HB ALA 9 3HB ALA 9 22.368 -7.223 20.416
54 3HB ALA 9 2HB ALA 9 23.401 -8.428 21.189
55 H ALA 10 H ALA 10 24.250 -4.891 20.188
56 HA ALA 10 HA ALA 10 22.726 -3.937 17.975
57 1HB ALA 10 3HB ALA 10 24.277 -2.623 20.185
58 2HB ALA 10 2HB ALA 10 23.593 -1.668 18.867
59 3HB ALA 10 1HB ALA 10 22.536 -2.630 19.902
60 H PHE 11 H PHE 11 26.173 -3.924 18.765
61 HA PHE 11 HA PHE 11 27.082 -2.335 16.638
62 1HB PHE 11 2HB PHE 11 28.264 -3.628 18.741
63 2HB PHE 11 1HB PHE 11 28.834 -4.570 17.374
64 HD1 PHE 11 HD2 PHE 11 28.563 -1.078 18.656
65 HD2 PHE 11 HD1 PHE 11 30.628 -3.764 16.032
66 HE1 PHE 11 HE2 PHE 11 30.236 0.658 18.180
67 HE2 PHE 11 HE1 PHE 11 32.290 -2.016 15.566
68 HZ PHE 11 HZ PHE 11 32.097 0.194 16.637
69 H ASN 12 H ASN 12 26.224 -5.727 16.804
70 HA ASN 12 HA ASN 12 27.211 -6.294 14.129
71 1HB ASN 12 2HB ASN 12 27.132 -7.911 16.151
72 2HB ASN 12 1HB ASN 12 25.429 -8.102 15.731
73 1HD2 ASN 12 2HD2 ASN 12 26.311 -10.597 13.483
74 2HD2 ASN 12 1HD2 ASN 12 25.372 -10.087 14.841
75 H SER 13 H SER 13 24.257 -5.336 15.665
76 HA SER 13 HA SER 13 22.584 -6.079 13.404
77 1HB SER 13 2HB SER 13 22.093 -5.750 16.087
78 2HB SER 13 1HB SER 13 21.447 -4.261 15.398
79 HG SER 13 HG SER 13 20.260 -5.610 13.916
80 H LEU 14 H LEU 14 24.227 -3.289 14.675
81 HA LEU 14 HA LEU 14 22.840 -1.267 13.281
82 1HB LEU 14 2HB LEU 14 24.329 -0.799 15.160
83 2HB LEU 14 1HB LEU 14 25.703 -1.370 14.218
84 HG LEU 14 HG LEU 14 24.921 0.450 12.491
85 1HD1 LEU 14 1HD1 LEU 14 22.810 0.943 13.784
86 2HD1 LEU 14 3HD1 LEU 14 23.824 1.699 15.016
87 3HD1 LEU 14 2HD1 LEU 14 23.783 2.357 13.379
88 1HD2 LEU 14 1HD2 LEU 14 26.386 1.046 15.065
89 2HD2 LEU 14 3HD2 LEU 14 27.063 0.738 13.459
90 3HD2 LEU 14 2HD2 LEU 14 26.204 2.244 13.786
91 H GLN 15 H GLN 15 25.637 -3.254 12.418
92 HA GLN 15 HA GLN 15 26.192 -1.902 9.972
93 1HB GLN 15 2HB GLN 15 27.967 -3.124 10.963
94 2HB GLN 15 1HB GLN 15 26.996 -4.581 11.093
95 1HG GLN 15 2HG GLN 15 26.969 -4.766 8.630
96 2HG GLN 15 1HG GLN 15 27.984 -3.331 8.521
97 1HE2 GLN 15 2HD2 GLN 15 30.584 -5.710 8.351
98 2HE2 GLN 15 1HD2 GLN 15 29.529 -4.692 7.435
99 H ALA 16 H ALA 16 24.459 -4.901 10.763
100 HA ALA 16 HA ALA 16 23.842 -5.763 8.203
101 1HB ALA 16 3HB ALA 16 23.349 -6.846 10.508
102 2HB ALA 16 2HB ALA 16 21.826 -5.959 10.410
103 3HB ALA 16 1HB ALA 16 22.237 -7.147 9.171
104 H SER 17 H SER 17 22.634 -3.061 9.939
105 HA SER 17 HA SER 17 20.402 -2.664 8.078
106 1HB SER 17 2HB SER 17 21.174 -0.957 10.439
107 2HB SER 17 1HB SER 17 19.637 -0.973 9.581
108 HG SER 17 HG SER 17 20.723 -3.213 10.971
109 H ALA 18 H ALA 18 23.251 -0.940 9.323
110 HA ALA 18 HA ALA 18 23.094 0.985 7.120
111 1HB ALA 18 1HB ALA 18 24.479 0.858 9.745
112 2HB ALA 18 3HB ALA 18 25.256 1.780 8.458
113 3HB ALA 18 2HB ALA 18 23.623 2.201 8.982
114 H THR 19 H THR 19 23.576 -1.433 6.116
115 HA THR 19 HA THR 19 26.453 -1.815 5.824
116 HB THR 19 HB THR 19 24.814 -3.721 6.126
117 HG1 THR 19 HG1 THR 19 26.168 -4.984 5.013
118 1HG2 THR 19 3HG2 THR 19 23.672 -2.568 3.754
119 2HG2 THR 19 2HG2 THR 19 24.252 -4.192 3.386
120 3HG2 THR 19 1HG2 THR 19 23.097 -3.945 4.698
121 H GLU 20 H GLU 20 24.887 0.524 4.682
122 HA GLU 20 HA GLU 20 25.257 0.140 1.828
123 1HB GLU 20 2HB GLU 20 23.522 1.679 3.426
124 2HB GLU 20 1HB GLU 20 24.540 2.819 2.551
125 1HG GLU 20 2HG GLU 20 22.449 2.226 1.334
126 2HG GLU 20 1HG GLU 20 23.912 1.833 0.433
127 H TYR 21 H TYR 21 26.927 1.401 4.499
128 HA TYR 21 HA TYR 21 28.758 2.901 2.746
129 1HB TYR 21 2HB TYR 21 28.234 3.158 5.706
130 2HB TYR 21 1HB TYR 21 29.504 4.010 4.848
131 HD1 TYR 21 HD1 TYR 21 28.887 5.649 3.048
132 HD2 TYR 21 HD2 TYR 21 25.980 3.913 5.657
133 HE1 TYR 21 HE1 TYR 21 27.287 7.425 2.457
134 HE2 TYR 21 HE2 TYR 21 24.387 5.692 5.057
135 HH TYR 21 HH TYR 21 24.808 8.298 4.101
136 H ILE 22 H ILE 22 28.494 0.171 4.863
137 HA ILE 22 HA ILE 22 31.393 -0.100 5.110
138 HB ILE 22 HB ILE 22 29.241 -1.964 6.076
139 1HG1 ILE 22 2HG1 ILE 22 30.349 0.532 7.413
140 2HG1 ILE 22 1HG1 ILE 22 28.671 -0.013 7.296
141 1HG2 ILE 22 2HG2 ILE 22 31.547 -2.877 5.897
142 2HG2 ILE 22 1HG2 ILE 22 32.092 -1.667 7.060
143 3HG2 ILE 22 3HG2 ILE 22 30.918 -2.892 7.546
144 1HD1 ILE 22 3HD1 ILE 22 29.670 -2.046 8.741
145 2HD1 ILE 22 2HD1 ILE 22 30.775 -0.767 9.246
146 3HD1 ILE 22 1HD1 ILE 22 29.035 -0.569 9.467
147 H GLY 23 H GLY 23 31.338 -0.241 2.685
148 1HA GLY 23 2HA GLY 23 31.878 -2.914 1.892
149 2HA GLY 23 1HA GLY 23 30.337 -2.378 1.222
150 H TYR 24 H TYR 24 30.634 0.106 0.465
151 HA TYR 24 HA TYR 24 32.408 -0.035 -1.791
152 1HB TYR 24 2HB TYR 24 30.937 2.426 -0.908
153 2HB TYR 24 1HB TYR 24 31.364 1.925 -2.536
154 HD1 TYR 24 HD1 TYR 24 30.240 -0.180 -3.474
155 HD2 TYR 24 HD2 TYR 24 28.796 1.884 -0.010
156 HE1 TYR 24 HE1 TYR 24 28.043 -1.253 -3.736
157 HE2 TYR 24 HE2 TYR 24 26.610 0.798 -0.289
158 HH TYR 24 HH TYR 24 25.645 -0.731 -3.070
159 H ALA 25 H ALA 25 32.502 1.364 1.380
160 HA ALA 25 HA ALA 25 34.497 3.332 0.924
161 1HB ALA 25 2HB ALA 25 33.421 1.927 3.341
162 2HB ALA 25 1HB ALA 25 34.863 2.935 3.479
163 3HB ALA 25 3HB ALA 25 33.345 3.638 2.917
164 H TRP 26 H TRP 26 34.595 -0.105 1.300
165 HA TRP 26 HA TRP 26 37.340 -0.308 2.093
166 1HB TRP 26 2HB TRP 26 35.140 -2.107 1.561
167 2HB TRP 26 1HB TRP 26 36.618 -2.680 0.807
168 HD1 TRP 26 1HD TRP 26 35.028 -2.097 4.239
169 HE1 TRP 26 1HE TRP 26 36.518 -3.179 6.007
170 HE3 TRP 26 3HE TRP 26 39.088 -3.317 1.365
171 HZ2 TRP 26 2HZ TRP 26 39.045 -4.384 6.208
172 HZ3 TRP 26 3HZ TRP 26 41.012 -4.433 2.414
173 HH2 TRP 26 HH2 TRP 26 40.994 -4.964 4.815
174 H ALA 27 H ALA 27 35.618 -0.800 -0.983
175 HA ALA 27 HA ALA 27 37.773 -1.425 -2.612
176 1HB ALA 27 1HB ALA 27 35.234 0.097 -3.200
177 2HB ALA 27 3HB ALA 27 36.389 -0.366 -4.451
178 3HB ALA 27 2HB ALA 27 35.573 -1.610 -3.502
179 H MET 28 H MET 28 36.698 1.689 -1.404
180 HA MET 28 HA MET 28 38.422 3.252 -3.046
181 1HB MET 28 2HB MET 28 36.206 3.753 -1.539
182 2HB MET 28 1HB MET 28 37.477 4.346 -0.479
183 1HG MET 28 2HG MET 28 36.541 6.086 -1.953
184 2HG MET 28 1HG MET 28 38.264 5.851 -2.172
185 1HE MET 28 2HE MET 28 35.051 4.025 -3.335
186 2HE MET 28 1HE MET 28 35.391 3.683 -5.031
187 3HE MET 28 3HE MET 28 36.326 2.884 -3.758
188 H VAL 29 H VAL 29 38.472 2.124 0.316
189 HA VAL 29 HA VAL 29 40.820 3.380 1.156
190 HB VAL 29 HB VAL 29 39.617 0.739 1.978
191 1HG1 VAL 29 2HG1 VAL 29 42.028 2.153 2.863
192 2HG1 VAL 29 1HG1 VAL 29 40.937 1.675 4.165
193 3HG1 VAL 29 3HG1 VAL 29 41.569 0.460 3.053
194 1HG2 VAL 29 2HG2 VAL 29 38.651 3.333 2.282
195 2HG2 VAL 29 1HG2 VAL 29 38.126 1.900 3.168
196 3HG2 VAL 29 3HG2 VAL 29 39.380 2.942 3.841
197 H VAL 30 H VAL 30 40.341 0.147 -0.260
198 HA VAL 30 HA VAL 30 42.919 -0.801 -0.204
199 HB VAL 30 HB VAL 30 40.660 -1.803 -1.085
200 1HG1 VAL 30 3HG1 VAL 30 40.911 -0.161 -3.122
201 2HG1 VAL 30 2HG1 VAL 30 41.931 -1.454 -3.751
202 3HG1 VAL 30 1HG1 VAL 30 40.247 -1.782 -3.336
203 1HG2 VAL 30 1HG2 VAL 30 43.418 -2.538 -2.033
204 2HG2 VAL 30 3HG2 VAL 30 42.541 -3.169 -0.637
205 3HG2 VAL 30 2HG2 VAL 30 42.002 -3.565 -2.271
206 H VAL 31 H VAL 31 41.516 1.569 -2.363
207 HA VAL 31 HA VAL 31 43.728 1.678 -4.163
208 HB VAL 31 HB VAL 31 41.386 3.492 -3.646
209 1HG1 VAL 31 2HG1 VAL 31 43.703 3.796 -5.485
210 2HG1 VAL 31 1HG1 VAL 31 42.106 4.291 -6.052
211 3HG1 VAL 31 3HG1 VAL 31 42.792 5.020 -4.599
212 1HG2 VAL 31 2HG2 VAL 31 41.341 1.061 -4.764
213 2HG2 VAL 31 1HG2 VAL 31 40.283 2.370 -5.294
214 3HG2 VAL 31 3HG2 VAL 31 41.761 2.012 -6.191
215 H ILE 32 H ILE 32 42.963 3.085 -1.122
216 HA ILE 32 HA ILE 32 44.977 5.184 -1.362
217 HB ILE 32 HB ILE 32 43.243 4.432 0.988
218 1HG1 ILE 32 2HG1 ILE 32 42.842 6.596 -1.084
219 2HG1 ILE 32 1HG1 ILE 32 41.929 5.091 -0.997
220 1HG2 ILE 32 3HG2 ILE 32 45.480 5.958 1.031
221 2HG2 ILE 32 2HG2 ILE 32 44.259 7.179 0.664
222 3HG2 ILE 32 1HG2 ILE 32 44.108 6.186 2.117
223 1HD1 ILE 32 3HD1 ILE 32 41.938 6.454 1.562
224 2HD1 ILE 32 2HD1 ILE 32 41.312 7.499 0.285
225 3HD1 ILE 32 1HD1 ILE 32 40.570 5.925 0.582
226 H VAL 33 H VAL 33 44.360 2.260 0.562
227 HA VAL 33 HA VAL 33 46.809 2.378 2.004
228 HB VAL 33 HB VAL 33 44.767 0.221 1.498
229 1HG1 VAL 33 2HG1 VAL 33 47.314 0.134 3.058
230 2HG1 VAL 33 1HG1 VAL 33 45.928 -0.853 3.529
231 3HG1 VAL 33 3HG1 VAL 33 46.651 -1.050 1.932
232 1HG2 VAL 33 1HG2 VAL 33 44.339 2.346 2.939
233 2HG2 VAL 33 3HG2 VAL 33 43.862 0.764 3.559
234 3HG2 VAL 33 2HG2 VAL 33 45.350 1.523 4.128
235 H GLY 34 H GLY 34 45.676 0.676 -0.889
236 1HA GLY 34 2HA GLY 34 47.824 -1.002 -1.400
237 2HA GLY 34 1HA GLY 34 46.831 -0.254 -2.653
238 H ALA 35 H ALA 35 47.546 2.458 -1.775
239 HA ALA 35 HA ALA 35 49.764 2.922 -3.455
240 1HB ALA 35 3HB ALA 35 47.860 4.521 -2.548
241 2HB ALA 35 2HB ALA 35 49.061 4.868 -1.302
242 3HB ALA 35 1HB ALA 35 49.442 5.159 -3.001
243 H THR 36 H THR 36 49.466 2.217 -0.063
244 HA THR 36 HA THR 36 52.097 3.067 0.687
245 HB THR 36 HB THR 36 49.967 2.658 2.149
246 HG1 THR 36 HG1 THR 36 52.017 3.361 2.907
247 1HG2 THR 36 3HG2 THR 36 50.186 0.090 1.423
248 2HG2 THR 36 2HG2 THR 36 51.221 0.058 2.852
249 3HG2 THR 36 1HG2 THR 36 49.541 0.582 2.990
250 H ILE 37 H ILE 37 50.668 0.106 -0.504
251 HA ILE 37 HA ILE 37 52.800 -1.658 0.069
252 HB ILE 37 HB ILE 37 50.725 -1.710 -2.115
253 1HG1 ILE 37 2HG1 ILE 37 50.861 -2.937 0.622
254 2HG1 ILE 37 1HG1 ILE 37 49.701 -1.753 0.040
255 1HG2 ILE 37 2HG2 ILE 37 53.042 -3.307 -1.839
256 2HG2 ILE 37 1HG2 ILE 37 51.663 -4.306 -1.377
257 3HG2 ILE 37 3HG2 ILE 37 51.696 -3.529 -2.961
258 1HD1 ILE 37 3HD1 ILE 37 49.179 -3.638 -1.745
259 2HD1 ILE 37 2HD1 ILE 37 49.853 -4.689 -0.497
260 3HD1 ILE 37 1HD1 ILE 37 48.447 -3.684 -0.140
261 H GLY 38 H GLY 38 52.269 0.713 -2.420
262 1HA GLY 38 2HA GLY 38 54.286 -0.206 -4.236
263 2HA GLY 38 1HA GLY 38 53.513 1.382 -4.243
264 H ILE 39 H ILE 39 54.208 1.877 -1.437
265 HA ILE 39 HA ILE 39 56.954 2.795 -1.886
266 HB ILE 39 HB ILE 39 55.460 3.360 0.628
267 1HG1 ILE 39 2HG1 ILE 39 53.718 3.827 -0.915
268 2HG1 ILE 39 1HG1 ILE 39 54.437 5.358 -0.472
269 1HG2 ILE 39 3HG2 ILE 39 57.822 4.118 0.070
270 2HG2 ILE 39 2HG2 ILE 39 57.065 5.232 -1.072
271 3HG2 ILE 39 1HG2 ILE 39 56.692 5.344 0.647
272 1HD1 ILE 39 2HD1 ILE 39 55.810 5.233 -2.577
273 2HD1 ILE 39 1HD1 ILE 39 54.823 3.847 -3.052
274 3HD1 ILE 39 3HD1 ILE 39 54.075 5.426 -2.824
275 H LYS 40 H LYS 40 55.056 0.808 0.281
276 HA LYS 40 HA LYS 40 57.041 0.140 2.138
277 1HB LYS 40 2HB LYS 40 54.439 -0.341 2.007
278 2HB LYS 40 1HB LYS 40 54.996 -1.870 1.337
279 1HG LYS 40 2HG LYS 40 55.148 -2.507 3.489
280 2HG LYS 40 1HG LYS 40 56.636 -1.562 3.502
281 1HD LYS 40 2HD LYS 40 54.030 -0.184 4.002
282 2HD LYS 40 1HD LYS 40 54.746 -1.139 5.300
283 1HE LYS 40 2HE LYS 40 55.819 1.334 3.951
284 2HE LYS 40 1HE LYS 40 55.578 1.032 5.671
285 1HZ LYS 40 3HZ LYS 40 57.333 -0.828 5.236
286 2HZ LYS 40 2HZ LYS 40 57.763 0.166 3.928
287 3HZ LYS 40 1HZ LYS 40 57.813 0.774 5.511
288 H LEU 41 H LEU 41 56.084 -1.354 -0.918
289 HA LEU 41 HA LEU 41 57.801 -3.581 -0.833
290 1HB LEU 41 2HB LEU 41 56.433 -2.046 -3.008
291 2HB LEU 41 1HB LEU 41 57.606 -3.285 -3.437
292 HG LEU 41 HG LEU 41 55.153 -3.671 -1.711
293 1HD1 LEU 41 2HD1 LEU 41 55.755 -4.433 -4.563
294 2HD1 LEU 41 1HD1 LEU 41 54.432 -5.136 -3.631
295 3HD1 LEU 41 3HD1 LEU 41 54.452 -3.404 -3.963
296 1HD2 LEU 41 3HD2 LEU 41 57.532 -5.304 -2.061
297 2HD2 LEU 41 2HD2 LEU 41 56.196 -5.488 -0.924
298 3HD2 LEU 41 1HD2 LEU 41 56.071 -6.161 -2.549
299 H PHE 42 H PHE 42 58.251 -0.292 -2.032
300 HA PHE 42 HA PHE 42 60.768 -0.582 -3.224
301 1HB PHE 42 2HB PHE 42 59.335 1.391 -3.486
302 2HB PHE 42 1HB PHE 42 59.609 1.812 -1.801
303 HD1 PHE 42 HD2 PHE 42 61.295 1.341 -5.067
304 HD2 PHE 42 HD1 PHE 42 61.509 3.036 -1.156
305 HE1 PHE 42 HE2 PHE 42 63.315 2.590 -5.721
306 HE2 PHE 42 HE1 PHE 42 63.531 4.285 -1.808
307 HZ PHE 42 HZ PHE 42 64.435 4.062 -4.090
308 H LYS 43 H LYS 43 59.901 0.393 0.073
309 HA LYS 43 HA LYS 43 62.446 0.822 1.102
310 1HB LYS 43 2HB LYS 43 59.901 -0.118 2.392
311 2HB LYS 43 1HB LYS 43 61.347 0.323 3.304
312 1HG LYS 43 2HG LYS 43 60.737 2.313 1.292
313 2HG LYS 43 1HG LYS 43 59.352 2.040 2.332
314 1HD LYS 43 2HD LYS 43 60.635 2.544 4.320
315 2HD LYS 43 1HD LYS 43 62.127 2.621 3.390
316 1HE LYS 43 2HE LYS 43 60.119 4.678 3.876
317 2HE LYS 43 1HE LYS 43 61.788 4.835 3.332
318 1HZ LYS 43 3HZ LYS 43 59.483 4.120 1.596
319 2HZ LYS 43 2HZ LYS 43 60.192 5.660 1.701
320 3HZ LYS 43 1HZ LYS 43 61.085 4.351 1.088
321 H LYS 44 H LYS 44 60.946 -2.153 0.222
322 HA LYS 44 HA LYS 44 62.707 -3.753 1.921
323 1HB LYS 44 2HB LYS 44 60.339 -4.391 1.665
324 2HB LYS 44 1HB LYS 44 60.588 -4.613 -0.053
325 1HG LYS 44 2HG LYS 44 62.410 -6.087 1.785
326 2HG LYS 44 1HG LYS 44 60.727 -6.629 1.699
327 1HD LYS 44 2HD LYS 44 62.620 -6.342 -0.668
328 2HD LYS 44 1HD LYS 44 62.079 -7.883 0.014
329 1HE LYS 44 2HE LYS 44 60.489 -5.828 -1.531
330 2HE LYS 44 1HE LYS 44 60.693 -7.542 -1.875
331 1HZ LYS 44 2HZ LYS 44 59.472 -7.950 0.261
332 2HZ LYS 44 1HZ LYS 44 59.089 -6.296 0.279
333 3HZ LYS 44 3HZ LYS 44 58.546 -7.276 -0.994
334 H PHE 45 H PHE 45 61.947 -3.423 -1.537
335 HA PHE 45 HA PHE 45 64.048 -5.074 -2.473
336 1HB PHE 45 2HB PHE 45 62.195 -3.068 -3.648
337 2HB PHE 45 1HB PHE 45 63.632 -3.477 -4.558
338 HD1 PHE 45 HD1 PHE 45 64.074 -5.930 -5.138
339 HD2 PHE 45 HD2 PHE 45 60.300 -4.540 -3.639
340 HE1 PHE 45 HE1 PHE 45 62.979 -7.967 -5.966
341 HE2 PHE 45 HE2 PHE 45 59.229 -6.582 -4.478
342 HZ PHE 45 HZ PHE 45 60.561 -8.296 -5.640
343 H THR 46 H THR 46 63.876 -1.725 -1.540
344 HA THR 46 HA THR 46 66.475 -1.109 -2.681
345 HB THR 46 HB THR 46 66.014 1.132 -1.977
346 HG1 THR 46 HG1 THR 46 63.886 -0.054 -0.543
347 1HG2 THR 46 1HG2 THR 46 64.280 -0.391 -3.656
348 2HG2 THR 46 3HG2 THR 46 63.333 0.848 -2.827
349 3HG2 THR 46 2HG2 THR 46 64.736 1.310 -3.791
350 H SER 47 H SER 47 65.422 -2.576 0.125
351 HA SER 47 HA SER 47 67.450 -1.370 1.851
352 1HB SER 47 2HB SER 47 64.970 -2.792 2.253
353 2HB SER 47 1HB SER 47 66.273 -3.545 3.168
354 HG SER 47 HG SER 47 66.166 -1.897 4.487
355 H LYS 48 H LYS 48 66.584 -4.563 0.545
356 HA LYS 48 HA LYS 48 68.645 -6.088 1.547
357 1HB LYS 48 2HB LYS 48 68.275 -7.597 -0.285
358 2HB LYS 48 1HB LYS 48 66.739 -6.919 0.197
359 1HG LYS 48 2HG LYS 48 66.566 -6.738 -2.082
360 2HG LYS 48 1HG LYS 48 67.214 -5.157 -1.665
361 1HD LYS 48 2HD LYS 48 69.043 -5.536 -2.899
362 2HD LYS 48 1HD LYS 48 69.371 -7.026 -2.019
363 1HE LYS 48 2HE LYS 48 69.108 -7.459 -4.417
364 2HE LYS 48 1HE LYS 48 67.831 -8.241 -3.490
365 1HZ LYS 48 1HZ LYS 48 66.447 -6.234 -4.003
366 2HZ LYS 48 3HZ LYS 48 67.649 -5.766 -5.103
367 3HZ LYS 48 2HZ LYS 48 66.813 -7.226 -5.333
368 H ALA 49 H ALA 49 68.595 -3.940 -1.201
369 HA ALA 49 HA ALA 49 70.837 -4.651 -2.497
370 1HB ALA 49 1HB ALA 49 69.205 -2.851 -3.148
371 2HB ALA 49 3HB ALA 49 70.063 -1.774 -2.044
372 3HB ALA 49 2HB ALA 49 70.900 -2.454 -3.442
373 H SER 50 H SER 50 72.991 -3.602 -2.576
374 HA SER 50 HA SER 50 74.404 -3.864 -0.190
375 1HB SER 50 2HB SER 50 75.155 -3.672 -2.730
376 2HB SER 50 1HB SER 50 75.430 -1.995 -2.272
377 HG SER 50 HG SER 50 76.869 -2.690 -0.704
No H/Q in entry = 377
Start of MODEL 21
1 1H ALA 1 2H ALA 1 41.489 18.795 24.749
2 2H ALA 1 1H ALA 1 42.924 19.670 25.001
3 3H ALA 1 3H ALA 1 42.227 19.615 23.456
4 HA ALA 1 HA ALA 1 42.736 17.354 23.169
5 1HB ALA 1 2HB ALA 1 45.095 18.745 24.477
6 2HB ALA 1 1HB ALA 1 45.200 17.331 23.427
7 3HB ALA 1 3HB ALA 1 44.637 18.874 22.777
8 H GLU 2 H GLU 2 42.595 18.346 26.440
9 HA GLU 2 HA GLU 2 43.827 16.436 27.933
10 1HB GLU 2 2HB GLU 2 41.129 17.720 28.259
11 2HB GLU 2 1HB GLU 2 41.779 16.610 29.463
12 1HG GLU 2 2HG GLU 2 42.962 18.285 30.352
13 2HG GLU 2 1HG GLU 2 43.830 18.472 28.827
14 H GLY 3 H GLY 3 43.956 14.334 27.412
15 1HA GLY 3 2HA GLY 3 41.689 12.640 27.677
16 2HA GLY 3 1HA GLY 3 42.193 12.765 25.994
17 H ASP 4 H ASP 4 42.554 11.012 28.764
18 HA ASP 4 HA ASP 4 45.221 10.016 27.963
19 1HB ASP 4 2HB ASP 4 45.282 11.080 30.164
20 2HB ASP 4 1HB ASP 4 43.959 10.048 30.712
21 H ASP 5 H ASP 5 43.592 8.829 26.467
22 HA ASP 5 HA ASP 5 43.511 6.130 27.237
23 1HB ASP 5 2HB ASP 5 41.578 7.154 28.593
24 2HB ASP 5 1HB ASP 5 40.743 7.287 27.046
25 HA PRO 6 HA PRO 6 43.131 6.050 22.821
26 1HB PRO 6 2HB PRO 6 43.223 3.373 22.477
27 2HB PRO 6 1HB PRO 6 44.638 4.347 22.899
28 1HG PRO 6 2HG PRO 6 43.088 2.482 24.557
29 2HG PRO 6 1HG PRO 6 44.759 3.036 24.740
30 1HD PRO 6 2HD PRO 6 42.476 3.935 26.175
31 2HD PRO 6 1HD PRO 6 44.130 4.565 26.267
32 H ALA 7 H ALA 7 40.620 5.637 24.733
33 HA ALA 7 HA ALA 7 38.779 3.892 23.734
34 1HB ALA 7 1HB ALA 7 38.464 6.710 24.734
35 2HB ALA 7 3HB ALA 7 37.070 5.743 24.248
36 3HB ALA 7 2HB ALA 7 38.108 5.196 25.567
37 H LYS 8 H LYS 8 40.006 6.762 22.171
38 HA LYS 8 HA LYS 8 38.101 7.357 20.287
39 1HB LYS 8 2HB LYS 8 39.903 8.203 18.928
40 2HB LYS 8 1HB LYS 8 40.236 8.563 20.614
41 1HG LYS 8 2HG LYS 8 41.709 6.538 20.699
42 2HG LYS 8 1HG LYS 8 41.418 6.309 18.977
43 1HD LYS 8 2HD LYS 8 43.580 7.538 19.699
44 2HD LYS 8 1HD LYS 8 42.645 8.192 18.363
45 1HE LYS 8 2HE LYS 8 43.488 9.870 20.089
46 2HE LYS 8 1HE LYS 8 41.772 9.955 19.700
47 1HZ LYS 8 1HZ LYS 8 42.142 8.147 21.820
48 2HZ LYS 8 3HZ LYS 8 42.963 9.582 22.193
49 3HZ LYS 8 2HZ LYS 8 41.306 9.625 21.822
50 H ALA 9 H ALA 9 40.272 4.620 20.413
51 HA ALA 9 HA ALA 9 40.116 3.691 17.787
52 1HB ALA 9 2HB ALA 9 40.654 2.470 20.438
53 2HB ALA 9 1HB ALA 9 40.243 1.371 19.120
54 3HB ALA 9 3HB ALA 9 41.629 2.453 18.967
55 H ALA 10 H ALA 10 37.817 3.526 20.407
56 HA ALA 10 HA ALA 10 36.093 1.592 19.148
57 1HB ALA 10 1HB ALA 10 36.368 2.436 21.703
58 2HB ALA 10 3HB ALA 10 34.977 3.399 21.203
59 3HB ALA 10 2HB ALA 10 34.918 1.639 21.090
60 H PHE 11 H PHE 11 36.006 5.108 19.660
61 HA PHE 11 HA PHE 11 33.569 5.693 18.470
62 1HB PHE 11 2HB PHE 11 35.138 7.266 19.681
63 2HB PHE 11 1HB PHE 11 36.047 7.382 18.184
64 HD1 PHE 11 HD1 PHE 11 34.689 8.031 16.052
65 HD2 PHE 11 HD2 PHE 11 33.354 8.781 20.053
66 HE1 PHE 11 HE1 PHE 11 33.170 9.781 15.227
67 HE2 PHE 11 HE2 PHE 11 31.843 10.526 19.212
68 HZ PHE 11 HZ PHE 11 31.749 11.029 16.804
69 H ASN 12 H ASN 12 36.753 5.300 16.968
70 HA ASN 12 HA ASN 12 35.854 5.883 14.315
71 1HB ASN 12 2HB ASN 12 38.269 5.902 15.352
72 2HB ASN 12 1HB ASN 12 38.274 4.211 14.850
73 1HD2 ASN 12 2HD2 ASN 12 39.359 6.738 12.151
74 2HD2 ASN 12 1HD2 ASN 12 39.646 6.742 13.855
75 H SER 13 H SER 13 35.851 3.072 16.331
76 HA SER 13 HA SER 13 35.597 1.149 14.196
77 1HB SER 13 2HB SER 13 36.267 0.951 16.832
78 2HB SER 13 1HB SER 13 34.589 0.408 16.859
79 HG SER 13 HG SER 13 35.783 -1.388 16.406
80 H LEU 14 H LEU 14 33.464 3.066 16.182
81 HA LEU 14 HA LEU 14 31.067 1.638 15.582
82 1HB LEU 14 2HB LEU 14 31.252 3.063 17.555
83 2HB LEU 14 1HB LEU 14 31.502 4.468 16.524
84 HG LEU 14 HG LEU 14 29.222 3.838 15.465
85 1HD1 LEU 14 3HD1 LEU 14 28.996 1.611 16.472
86 2HD1 LEU 14 2HD1 LEU 14 28.971 2.333 18.084
87 3HD1 LEU 14 1HD1 LEU 14 27.658 2.656 16.951
88 1HD2 LEU 14 1HD2 LEU 14 29.494 5.001 18.239
89 2HD2 LEU 14 3HD2 LEU 14 29.282 5.854 16.704
90 3HD2 LEU 14 2HD2 LEU 14 27.948 4.931 17.397
91 H GLN 15 H GLN 15 32.713 4.435 14.216
92 HA GLN 15 HA GLN 15 30.746 5.274 12.394
93 1HB GLN 15 2HB GLN 15 32.850 6.491 13.040
94 2HB GLN 15 1HB GLN 15 33.734 5.391 11.991
95 1HG GLN 15 2HG GLN 15 33.336 7.294 10.655
96 2HG GLN 15 1HG GLN 15 32.115 6.130 10.139
97 1HE2 GLN 15 2HD2 GLN 15 30.979 9.695 11.449
98 2HE2 GLN 15 1HD2 GLN 15 32.573 9.270 10.933
99 H ALA 16 H ALA 16 32.868 2.555 12.394
100 HA ALA 16 HA ALA 16 32.781 2.041 9.566
101 1HB ALA 16 1HB ALA 16 33.584 0.280 11.886
102 2HB ALA 16 3HB ALA 16 33.820 -0.115 10.183
103 3HB ALA 16 2HB ALA 16 34.662 1.264 10.894
104 H SER 17 H SER 17 30.347 1.913 11.763
105 HA SER 17 HA SER 17 29.187 -0.612 10.851
106 1HB SER 17 2HB SER 17 27.460 -0.172 12.515
107 2HB SER 17 1HB SER 17 29.058 -0.033 13.236
108 HG SER 17 HG SER 17 27.278 1.728 13.500
109 H ALA 18 H ALA 18 29.563 1.674 9.033
110 HA ALA 18 HA ALA 18 26.806 2.464 8.434
111 1HB ALA 18 1HB ALA 18 28.759 4.145 8.575
112 2HB ALA 18 3HB ALA 18 29.262 3.469 7.025
113 3HB ALA 18 2HB ALA 18 27.683 4.240 7.179
114 H THR 19 H THR 19 26.509 0.189 7.815
115 HA THR 19 HA THR 19 27.741 -1.170 5.788
116 HB THR 19 HB THR 19 24.811 -1.090 6.396
117 HG1 THR 19 HG1 THR 19 26.747 -2.976 7.230
118 1HG2 THR 19 2HG2 THR 19 25.404 -2.086 4.154
119 2HG2 THR 19 1HG2 THR 19 26.328 -3.309 5.029
120 3HG2 THR 19 3HG2 THR 19 24.585 -3.185 5.267
121 H GLU 20 H GLU 20 25.750 1.610 5.512
122 HA GLU 20 HA GLU 20 25.181 1.330 2.722
123 1HB GLU 20 2HB GLU 20 24.207 2.898 4.757
124 2HB GLU 20 1HB GLU 20 25.159 4.049 3.829
125 1HG GLU 20 2HG GLU 20 23.907 3.348 1.775
126 2HG GLU 20 1HG GLU 20 22.874 2.346 2.802
127 H TYR 21 H TYR 21 27.936 2.163 4.439
128 HA TYR 21 HA TYR 21 29.086 3.573 2.114
129 1HB TYR 21 2HB TYR 21 29.521 3.888 5.055
130 2HB TYR 21 1HB TYR 21 30.781 4.345 3.920
131 HD1 TYR 21 HD1 TYR 21 30.296 6.099 2.189
132 HD2 TYR 21 HD2 TYR 21 27.602 5.249 5.395
133 HE1 TYR 21 HE1 TYR 21 29.166 8.255 1.818
134 HE2 TYR 21 HE2 TYR 21 26.481 7.408 5.017
135 HH TYR 21 HH TYR 21 27.379 9.779 3.883
136 H ILE 22 H ILE 22 29.167 0.653 3.788
137 HA ILE 22 HA ILE 22 32.015 0.174 3.339
138 HB ILE 22 HB ILE 22 29.887 -1.705 4.318
139 1HG1 ILE 22 2HG1 ILE 22 31.646 0.225 5.881
140 2HG1 ILE 22 1HG1 ILE 22 29.911 -0.073 6.046
141 1HG2 ILE 22 3HG2 ILE 22 31.848 -2.832 3.398
142 2HG2 ILE 22 2HG2 ILE 22 32.892 -1.950 4.515
143 3HG2 ILE 22 1HG2 ILE 22 31.707 -3.100 5.138
144 1HD1 ILE 22 2HD1 ILE 22 30.930 -2.534 6.668
145 2HD1 ILE 22 1HD1 ILE 22 32.193 -1.466 7.281
146 3HD1 ILE 22 3HD1 ILE 22 30.532 -1.283 7.848
147 H GLY 23 H GLY 23 31.841 0.463 1.103
148 1HA GLY 23 2HA GLY 23 31.836 -1.904 -0.381
149 2HA GLY 23 1HA GLY 23 30.298 -1.101 -0.638
150 H TYR 24 H TYR 24 30.831 1.477 -0.725
151 HA TYR 24 HA TYR 24 32.418 1.781 -3.155
152 1HB TYR 24 2HB TYR 24 30.918 3.989 -1.786
153 2HB TYR 24 1HB TYR 24 31.249 3.768 -3.498
154 HD1 TYR 24 HD2 TYR 24 30.167 1.735 -4.652
155 HD2 TYR 24 HD1 TYR 24 28.824 3.278 -0.885
156 HE1 TYR 24 HE2 TYR 24 27.989 0.622 -4.955
157 HE2 TYR 24 HE1 TYR 24 26.665 2.152 -1.204
158 HH TYR 24 HH TYR 24 25.289 1.245 -2.911
159 H ALA 25 H ALA 25 32.336 2.754 0.199
160 HA ALA 25 HA ALA 25 34.783 4.341 -0.046
161 1HB ALA 25 3HB ALA 25 32.892 5.108 1.401
162 2HB ALA 25 2HB ALA 25 33.146 3.684 2.413
163 3HB ALA 25 1HB ALA 25 34.411 4.909 2.279
164 H TRP 26 H TRP 26 33.846 1.133 0.407
165 HA TRP 26 HA TRP 26 36.045 0.334 2.127
166 1HB TRP 26 2HB TRP 26 34.190 -0.853 2.674
167 2HB TRP 26 1HB TRP 26 33.550 -0.766 1.058
168 HD1 TRP 26 1HD TRP 26 33.312 -2.989 0.059
169 HE1 TRP 26 1HE TRP 26 34.623 -5.152 0.117
170 HE3 TRP 26 3HE TRP 26 37.186 -1.603 3.032
171 HZ2 TRP 26 2HZ TRP 26 36.992 -6.206 1.211
172 HZ3 TRP 26 3HZ TRP 26 38.968 -3.227 3.555
173 HH2 TRP 26 HH2 TRP 26 38.876 -5.510 2.644
174 H ALA 27 H ALA 27 34.906 -0.061 -1.187
175 HA ALA 27 HA ALA 27 37.042 -1.722 -2.014
176 1HB ALA 27 1HB ALA 27 34.788 -0.294 -3.286
177 2HB ALA 27 3HB ALA 27 36.194 -0.539 -4.327
178 3HB ALA 27 2HB ALA 27 35.403 -1.925 -3.575
179 H MET 28 H MET 28 36.475 1.771 -2.212
180 HA MET 28 HA MET 28 38.844 2.393 -3.636
181 1HB MET 28 2HB MET 28 36.696 3.857 -2.293
182 2HB MET 28 1HB MET 28 38.255 4.638 -2.115
183 1HG MET 28 2HG MET 28 36.817 5.314 -4.133
184 2HG MET 28 1HG MET 28 38.504 4.949 -4.442
185 1HE MET 28 2HE MET 28 37.994 5.004 -6.732
186 2HE MET 28 1HE MET 28 38.781 3.449 -7.002
187 3HE MET 28 3HE MET 28 37.184 3.767 -7.694
188 H VAL 29 H VAL 29 38.046 2.078 -0.238
189 HA VAL 29 HA VAL 29 40.271 3.208 0.961
190 HB VAL 29 HB VAL 29 38.128 1.427 1.684
191 1HG1 VAL 29 3HG1 VAL 29 39.866 -0.266 2.059
192 2HG1 VAL 29 2HG1 VAL 29 40.723 0.855 3.119
193 3HG1 VAL 29 1HG1 VAL 29 39.124 0.260 3.571
194 1HG2 VAL 29 1HG2 VAL 29 39.705 3.630 2.833
195 2HG2 VAL 29 3HG2 VAL 29 37.959 3.373 2.802
196 3HG2 VAL 29 2HG2 VAL 29 38.953 2.540 4.000
197 H VAL 30 H VAL 30 39.877 -0.056 -0.367
198 HA VAL 30 HA VAL 30 42.350 -1.115 0.380
199 HB VAL 30 HB VAL 30 40.628 -1.666 -2.034
200 1HG1 VAL 30 3HG1 VAL 30 42.856 -3.286 -0.819
201 2HG1 VAL 30 2HG1 VAL 30 41.770 -3.842 -2.093
202 3HG1 VAL 30 1HG1 VAL 30 42.870 -2.495 -2.394
203 1HG2 VAL 30 2HG2 VAL 30 40.379 -2.295 0.784
204 2HG2 VAL 30 1HG2 VAL 30 39.214 -2.509 -0.525
205 3HG2 VAL 30 3HG2 VAL 30 40.424 -3.755 -0.208
206 H VAL 31 H VAL 31 41.479 1.159 -2.101
207 HA VAL 31 HA VAL 31 43.957 0.867 -3.559
208 HB VAL 31 HB VAL 31 41.662 2.802 -3.786
209 1HG1 VAL 31 3HG1 VAL 31 44.152 2.493 -5.437
210 2HG1 VAL 31 2HG1 VAL 31 42.688 3.256 -6.060
211 3HG1 VAL 31 1HG1 VAL 31 43.520 3.947 -4.666
212 1HG2 VAL 31 2HG2 VAL 31 41.103 0.483 -4.350
213 2HG2 VAL 31 1HG2 VAL 31 41.094 1.507 -5.788
214 3HG2 VAL 31 3HG2 VAL 31 42.457 0.428 -5.482
215 H ILE 32 H ILE 32 42.888 2.558 -0.815
216 HA ILE 32 HA ILE 32 44.718 4.794 -1.106
217 HB ILE 32 HB ILE 32 42.982 3.926 1.202
218 1HG1 ILE 32 2HG1 ILE 32 42.613 6.015 -0.950
219 2HG1 ILE 32 1HG1 ILE 32 41.653 4.559 -0.711
220 1HG2 ILE 32 1HG2 ILE 32 45.120 5.816 1.087
221 2HG2 ILE 32 3HG2 ILE 32 43.600 6.689 1.294
222 3HG2 ILE 32 2HG2 ILE 32 44.058 5.430 2.443
223 1HD1 ILE 32 1HD1 ILE 32 41.229 5.592 1.672
224 2HD1 ILE 32 3HD1 ILE 32 41.670 7.100 0.870
225 3HD1 ILE 32 2HD1 ILE 32 40.299 6.156 0.281
226 H VAL 33 H VAL 33 44.447 1.836 0.828
227 HA VAL 33 HA VAL 33 46.898 2.287 2.252
228 HB VAL 33 HB VAL 33 45.035 -0.064 1.952
229 1HG1 VAL 33 3HG1 VAL 33 47.320 -0.831 2.393
230 2HG1 VAL 33 2HG1 VAL 33 47.379 0.204 3.821
231 3HG1 VAL 33 1HG1 VAL 33 46.238 -1.141 3.749
232 1HG2 VAL 33 3HG2 VAL 33 44.209 1.943 3.174
233 2HG2 VAL 33 2HG2 VAL 33 44.303 0.491 4.173
234 3HG2 VAL 33 1HG2 VAL 33 45.540 1.743 4.315
235 H GLY 34 H GLY 34 45.829 0.462 -0.573
236 1HA GLY 34 2HA GLY 34 48.039 -1.159 -1.035
237 2HA GLY 34 1HA GLY 34 47.016 -0.485 -2.305
238 H ALA 35 H ALA 35 47.629 2.277 -1.474
239 HA ALA 35 HA ALA 35 49.800 2.811 -3.185
240 1HB ALA 35 2HB ALA 35 48.240 4.397 -1.185
241 2HB ALA 35 1HB ALA 35 49.720 5.082 -1.859
242 3HB ALA 35 3HB ALA 35 48.391 4.631 -2.928
243 H THR 36 H THR 36 49.598 2.095 0.211
244 HA THR 36 HA THR 36 52.202 3.034 0.934
245 HB THR 36 HB THR 36 50.098 2.454 2.405
246 HG1 THR 36 HG1 THR 36 52.829 2.165 3.012
247 1HG2 THR 36 2HG2 THR 36 50.358 -0.043 1.642
248 2HG2 THR 36 1HG2 THR 36 51.588 -0.096 2.905
249 3HG2 THR 36 3HG2 THR 36 49.924 0.331 3.310
250 H ILE 37 H ILE 37 50.876 0.015 -0.245
251 HA ILE 37 HA ILE 37 53.107 -1.650 0.203
252 HB ILE 37 HB ILE 37 50.965 -1.767 -1.912
253 1HG1 ILE 37 2HG1 ILE 37 51.234 -3.038 0.797
254 2HG1 ILE 37 1HG1 ILE 37 50.018 -1.876 0.285
255 1HG2 ILE 37 3HG2 ILE 37 52.967 -3.075 -2.533
256 2HG2 ILE 37 2HG2 ILE 37 52.835 -3.954 -1.007
257 3HG2 ILE 37 1HG2 ILE 37 51.559 -4.093 -2.219
258 1HD1 ILE 37 3HD1 ILE 37 49.424 -3.684 -1.507
259 2HD1 ILE 37 2HD1 ILE 37 50.276 -4.783 -0.420
260 3HD1 ILE 37 1HD1 ILE 37 48.861 -3.897 0.152
261 H GLY 38 H GLY 38 52.425 0.771 -2.188
262 1HA GLY 38 2HA GLY 38 54.388 -0.052 -4.114
263 2HA GLY 38 1HA GLY 38 53.569 1.511 -4.051
264 H ILE 39 H ILE 39 54.361 1.956 -1.262
265 HA ILE 39 HA ILE 39 57.061 2.962 -1.794
266 HB ILE 39 HB ILE 39 55.634 3.442 0.778
267 1HG1 ILE 39 2HG1 ILE 39 53.839 3.892 -0.703
268 2HG1 ILE 39 1HG1 ILE 39 54.533 5.434 -0.259
269 1HG2 ILE 39 1HG2 ILE 39 57.983 4.277 0.009
270 2HG2 ILE 39 3HG2 ILE 39 57.042 5.488 -0.864
271 3HG2 ILE 39 2HG2 ILE 39 56.895 5.354 0.889
272 1HD1 ILE 39 3HD1 ILE 39 55.858 5.332 -2.418
273 2HD1 ILE 39 2HD1 ILE 39 54.827 3.972 -2.876
274 3HD1 ILE 39 1HD1 ILE 39 54.119 5.559 -2.585
275 H LYS 40 H LYS 40 55.295 0.911 0.434
276 HA LYS 40 HA LYS 40 57.358 0.250 2.196
277 1HB LYS 40 2HB LYS 40 54.765 -0.308 2.127
278 2HB LYS 40 1HB LYS 40 55.354 -1.805 1.415
279 1HG LYS 40 2HG LYS 40 55.624 -2.493 3.535
280 2HG LYS 40 1HG LYS 40 57.038 -1.444 3.559
281 1HD LYS 40 2HD LYS 40 54.349 -0.272 4.134
282 2HD LYS 40 1HD LYS 40 55.146 -1.216 5.391
283 1HE LYS 40 2HE LYS 40 56.019 1.373 4.121
284 2HE LYS 40 1HE LYS 40 55.836 0.990 5.831
285 1HZ LYS 40 2HZ LYS 40 57.705 -0.720 5.297
286 2HZ LYS 40 1HZ LYS 40 58.036 0.343 4.013
287 3HZ LYS 40 3HZ LYS 40 58.082 0.906 5.612
288 H LEU 41 H LEU 41 56.369 -1.177 -0.879
289 HA LEU 41 HA LEU 41 58.185 -3.343 -0.889
290 1HB LEU 41 2HB LEU 41 56.605 -1.880 -2.962
291 2HB LEU 41 1HB LEU 41 57.834 -3.026 -3.480
292 HG LEU 41 HG LEU 41 55.483 -3.594 -1.669
293 1HD1 LEU 41 3HD1 LEU 41 56.094 -4.278 -4.531
294 2HD1 LEU 41 2HD1 LEU 41 54.912 -5.182 -3.581
295 3HD1 LEU 41 1HD1 LEU 41 54.678 -3.456 -3.872
296 1HD2 LEU 41 1HD2 LEU 41 57.939 -5.149 -2.248
297 2HD2 LEU 41 3HD2 LEU 41 56.884 -5.173 -0.833
298 3HD2 LEU 41 2HD2 LEU 41 56.417 -6.038 -2.297
299 H PHE 42 H PHE 42 58.407 -0.030 -2.109
300 HA PHE 42 HA PHE 42 60.863 -0.209 -3.441
301 1HB PHE 42 2HB PHE 42 59.108 1.703 -3.319
302 2HB PHE 42 1HB PHE 42 60.044 2.241 -1.932
303 HD1 PHE 42 HD1 PHE 42 62.573 2.577 -2.287
304 HD2 PHE 42 HD2 PHE 42 59.749 2.286 -5.476
305 HE1 PHE 42 HE1 PHE 42 64.170 3.684 -3.802
306 HE2 PHE 42 HE2 PHE 42 61.346 3.393 -6.991
307 HZ PHE 42 HZ PHE 42 63.558 4.092 -6.154
308 H LYS 43 H LYS 43 60.107 0.139 -0.040
309 HA LYS 43 HA LYS 43 62.813 0.805 0.708
310 1HB LYS 43 2HB LYS 43 60.382 0.083 2.330
311 2HB LYS 43 1HB LYS 43 61.930 0.545 3.037
312 1HG LYS 43 2HG LYS 43 60.769 2.349 0.961
313 2HG LYS 43 1HG LYS 43 59.984 2.330 2.527
314 1HD LYS 43 2HD LYS 43 61.657 3.455 3.543
315 2HD LYS 43 1HD LYS 43 62.916 2.583 2.678
316 1HE LYS 43 2HE LYS 43 62.407 5.184 2.276
317 2HE LYS 43 1HE LYS 43 63.030 4.133 1.010
318 1HZ LYS 43 1HZ LYS 43 60.126 4.385 1.376
319 2HZ LYS 43 3HZ LYS 43 60.970 5.627 0.585
320 3HZ LYS 43 2HZ LYS 43 61.010 4.045 -0.033
321 H LYS 44 H LYS 44 61.441 -2.053 -0.272
322 HA LYS 44 HA LYS 44 63.050 -3.684 1.573
323 1HB LYS 44 2HB LYS 44 60.669 -4.253 1.394
324 2HB LYS 44 1HB LYS 44 60.843 -4.495 -0.333
325 1HG LYS 44 2HG LYS 44 62.825 -6.057 1.018
326 2HG LYS 44 1HG LYS 44 61.247 -6.374 1.741
327 1HD LYS 44 2HD LYS 44 60.587 -6.398 -0.897
328 2HD LYS 44 1HD LYS 44 62.241 -6.996 -0.991
329 1HE LYS 44 2HE LYS 44 60.266 -8.710 -0.708
330 2HE LYS 44 1HE LYS 44 61.763 -8.950 0.187
331 1HZ LYS 44 1HZ LYS 44 59.580 -7.394 1.399
332 2HZ LYS 44 3HZ LYS 44 59.493 -9.087 1.387
333 3HZ LYS 44 2HZ LYS 44 60.796 -8.312 2.149
334 H PHE 45 H PHE 45 62.224 -3.475 -1.886
335 HA PHE 45 HA PHE 45 64.146 -5.250 -2.865
336 1HB PHE 45 2HB PHE 45 62.587 -2.969 -3.967
337 2HB PHE 45 1HB PHE 45 63.940 -3.560 -4.900
338 HD1 PHE 45 HD1 PHE 45 64.002 -6.009 -5.590
339 HD2 PHE 45 HD2 PHE 45 60.508 -4.173 -3.911
340 HE1 PHE 45 HE1 PHE 45 62.608 -7.839 -6.453
341 HE2 PHE 45 HE2 PHE 45 59.134 -6.012 -4.782
342 HZ PHE 45 HZ PHE 45 60.179 -7.845 -6.051
343 H THR 46 H THR 46 64.360 -1.849 -2.019
344 HA THR 46 HA THR 46 67.045 -1.586 -3.059
345 HB THR 46 HB THR 46 66.857 0.695 -2.303
346 HG1 THR 46 HG1 THR 46 65.768 0.445 -0.372
347 1HG2 THR 46 1HG2 THR 46 65.111 -0.564 -4.142
348 2HG2 THR 46 3HG2 THR 46 64.183 0.678 -3.298
349 3HG2 THR 46 2HG2 THR 46 65.670 1.112 -4.144
350 H SER 47 H SER 47 66.012 -3.233 -0.512
351 HA SER 47 HA SER 47 67.797 -2.160 1.522
352 1HB SER 47 2HB SER 47 65.487 -3.239 1.926
353 2HB SER 47 1HB SER 47 66.314 -4.771 1.671
354 HG SER 47 HG SER 47 66.174 -3.824 3.925
355 H LYS 48 H LYS 48 67.568 -4.881 -0.695
356 HA LYS 48 HA LYS 48 69.530 -6.574 0.168
357 1HB LYS 48 2HB LYS 48 68.594 -5.770 -2.560
358 2HB LYS 48 1HB LYS 48 69.975 -6.846 -2.407
359 1HG LYS 48 2HG LYS 48 68.509 -8.364 -1.001
360 2HG LYS 48 1HG LYS 48 67.151 -7.316 -1.418
361 1HD LYS 48 2HD LYS 48 68.880 -8.901 -3.318
362 2HD LYS 48 1HD LYS 48 67.194 -9.215 -2.912
363 1HE LYS 48 2HE LYS 48 66.948 -6.687 -3.755
364 2HE LYS 48 1HE LYS 48 68.372 -7.140 -4.687
365 1HZ LYS 48 2HZ LYS 48 66.551 -9.230 -4.888
366 2HZ LYS 48 1HZ LYS 48 65.678 -7.797 -5.152
367 3HZ LYS 48 3HZ LYS 48 67.035 -8.148 -6.106
368 H ALA 49 H ALA 49 70.026 -3.878 -2.099
369 HA ALA 49 HA ALA 49 71.877 -2.674 -2.658
370 1HB ALA 49 2HB ALA 49 71.659 -2.090 -0.221
371 2HB ALA 49 1HB ALA 49 72.849 -3.349 0.119
372 3HB ALA 49 3HB ALA 49 73.297 -1.954 -0.865
373 H SER 50 H SER 50 74.483 -2.822 -2.381
374 HA SER 50 HA SER 50 76.376 -3.934 -3.041
375 1HB SER 50 2HB SER 50 76.365 -5.284 -1.145
376 2HB SER 50 1HB SER 50 74.862 -6.081 -1.598
377 HG SER 50 HG SER 50 77.486 -6.592 -2.403
No H/Q in entry = 377
Start of MODEL 22
1 1H ALA 1 3H ALA 1 45.345 -26.769 -9.295
2 2H ALA 1 2H ALA 1 46.190 -27.264 -10.684
3 3H ALA 1 1H ALA 1 44.547 -27.657 -10.500
4 HA ALA 1 HA ALA 1 44.931 -29.265 -8.936
5 1HB ALA 1 1HB ALA 1 45.893 -29.910 -11.156
6 2HB ALA 1 3HB ALA 1 47.463 -29.317 -10.609
7 3HB ALA 1 2HB ALA 1 46.714 -30.697 -9.802
8 H GLU 2 H GLU 2 45.203 -27.986 -7.004
9 HA GLU 2 HA GLU 2 47.360 -28.680 -5.438
10 1HB GLU 2 2HB GLU 2 48.467 -26.372 -5.265
11 2HB GLU 2 1HB GLU 2 48.880 -27.371 -6.656
12 1HG GLU 2 2HG GLU 2 46.558 -25.790 -7.267
13 2HG GLU 2 1HG GLU 2 47.845 -24.744 -6.665
14 H GLY 3 H GLY 3 46.613 -28.512 -3.440
15 1HA GLY 3 2HA GLY 3 45.586 -27.670 -1.557
16 2HA GLY 3 1HA GLY 3 45.343 -26.156 -2.424
17 H ASP 4 H ASP 4 43.490 -27.679 -0.709
18 HA ASP 4 HA ASP 4 41.340 -28.199 -2.670
19 1HB ASP 4 2HB ASP 4 42.348 -29.912 -0.714
20 2HB ASP 4 1HB ASP 4 40.847 -29.287 -0.029
21 H ASP 5 H ASP 5 40.856 -25.931 -2.632
22 HA ASP 5 HA ASP 5 38.981 -25.247 -0.556
23 1HB ASP 5 2HB ASP 5 41.340 -24.489 0.174
24 2HB ASP 5 1HB ASP 5 41.171 -23.266 -1.086
25 HA PRO 6 HA PRO 6 38.009 -23.563 -4.755
26 1HB PRO 6 2HB PRO 6 35.779 -25.012 -5.242
27 2HB PRO 6 1HB PRO 6 37.409 -25.569 -5.648
28 1HG PRO 6 2HG PRO 6 35.607 -26.460 -3.504
29 2HG PRO 6 1HG PRO 6 36.947 -27.314 -4.283
30 1HD PRO 6 2HD PRO 6 36.967 -26.025 -1.752
31 2HD PRO 6 1HD PRO 6 38.340 -26.764 -2.599
32 H ALA 7 H ALA 7 36.293 -23.947 -1.791
33 HA ALA 7 HA ALA 7 33.895 -22.599 -2.327
34 1HB ALA 7 3HB ALA 7 34.845 -23.863 -0.176
35 2HB ALA 7 2HB ALA 7 35.188 -22.203 0.319
36 3HB ALA 7 1HB ALA 7 33.536 -22.684 -0.074
37 H LYS 8 H LYS 8 37.115 -21.406 -2.121
38 HA LYS 8 HA LYS 8 36.983 -18.880 -1.151
39 1HB LYS 8 2HB LYS 8 38.744 -18.302 -2.714
40 2HB LYS 8 1HB LYS 8 39.001 -19.906 -2.056
41 1HG LYS 8 2HG LYS 8 38.673 -20.930 -4.122
42 2HG LYS 8 1HG LYS 8 37.450 -19.757 -4.589
43 1HD LYS 8 2HD LYS 8 39.696 -19.741 -5.863
44 2HD LYS 8 1HD LYS 8 38.997 -18.206 -5.366
45 1HE LYS 8 2HE LYS 8 41.523 -18.582 -4.970
46 2HE LYS 8 1HE LYS 8 40.574 -17.902 -3.650
47 1HZ LYS 8 2HZ LYS 8 40.684 -20.786 -3.680
48 2HZ LYS 8 1HZ LYS 8 42.191 -20.038 -3.448
49 3HZ LYS 8 3HZ LYS 8 40.908 -19.701 -2.392
50 H ALA 9 H ALA 9 35.540 -20.054 -4.089
51 HA ALA 9 HA ALA 9 34.959 -17.466 -5.200
52 1HB ALA 9 2HB ALA 9 33.869 -20.215 -5.825
53 2HB ALA 9 1HB ALA 9 33.509 -18.759 -6.757
54 3HB ALA 9 3HB ALA 9 35.162 -19.371 -6.678
55 H ALA 10 H ALA 10 32.686 -20.016 -4.207
56 HA ALA 10 HA ALA 10 30.426 -18.452 -3.962
57 1HB ALA 10 1HB ALA 10 30.565 -20.962 -3.834
58 2HB ALA 10 3HB ALA 10 31.076 -20.781 -2.156
59 3HB ALA 10 2HB ALA 10 29.481 -20.219 -2.657
60 H PHE 11 H PHE 11 33.154 -18.644 -1.831
61 HA PHE 11 HA PHE 11 31.821 -17.513 0.462
62 1HB PHE 11 2HB PHE 11 34.311 -18.744 -0.050
63 2HB PHE 11 1HB PHE 11 34.662 -17.124 0.527
64 HD1 PHE 11 HD1 PHE 11 32.736 -20.212 1.336
65 HD2 PHE 11 HD2 PHE 11 34.488 -16.605 2.846
66 HE1 PHE 11 HE1 PHE 11 32.287 -20.947 3.639
67 HE2 PHE 11 HE2 PHE 11 34.033 -17.355 5.140
68 HZ PHE 11 HZ PHE 11 32.933 -19.522 5.540
69 H ASN 12 H ASN 12 33.874 -16.299 -2.148
70 HA ASN 12 HA ASN 12 33.875 -13.601 -1.081
71 1HB ASN 12 2HB ASN 12 35.666 -14.896 -2.579
72 2HB ASN 12 1HB ASN 12 34.728 -14.151 -3.874
73 1HD2 ASN 12 2HD2 ASN 12 37.502 -11.948 -2.348
74 2HD2 ASN 12 1HD2 ASN 12 37.474 -13.652 -2.632
75 H SER 13 H SER 13 32.560 -15.224 -3.970
76 HA SER 13 HA SER 13 31.213 -13.031 -5.062
77 1HB SER 13 2HB SER 13 29.810 -15.578 -5.366
78 2HB SER 13 1HB SER 13 30.497 -14.513 -6.591
79 HG SER 13 HG SER 13 32.378 -15.553 -6.476
80 H LEU 14 H LEU 14 30.330 -15.199 -2.463
81 HA LEU 14 HA LEU 14 27.577 -14.441 -2.346
82 1HB LEU 14 2HB LEU 14 28.301 -16.568 -1.446
83 2HB LEU 14 1HB LEU 14 29.386 -15.755 -0.322
84 HG LEU 14 HG LEU 14 27.418 -14.649 0.729
85 1HD1 LEU 14 1HD1 LEU 14 25.911 -16.311 -1.280
86 2HD1 LEU 14 3HD1 LEU 14 25.168 -15.832 0.246
87 3HD1 LEU 14 2HD1 LEU 14 25.723 -14.600 -0.887
88 1HD2 LEU 14 1HD2 LEU 14 27.612 -17.655 0.715
89 2HD2 LEU 14 3HD2 LEU 14 28.130 -16.513 1.960
90 3HD2 LEU 14 2HD2 LEU 14 26.413 -16.828 1.707
91 H GLN 15 H GLN 15 30.512 -13.427 -0.646
92 HA GLN 15 HA GLN 15 29.117 -11.585 1.076
93 1HB GLN 15 2HB GLN 15 31.206 -12.685 1.772
94 2HB GLN 15 1HB GLN 15 32.067 -11.856 0.478
95 1HG GLN 15 2HG GLN 15 31.106 -9.691 1.585
96 2HG GLN 15 1HG GLN 15 30.900 -10.727 2.999
97 1HE2 GLN 15 2HD2 GLN 15 34.168 -9.833 3.853
98 2HE2 GLN 15 1HD2 GLN 15 32.483 -9.711 4.211
99 H ALA 16 H ALA 16 30.983 -11.395 -1.911
100 HA ALA 16 HA ALA 16 30.906 -8.515 -2.021
101 1HB ALA 16 1HB ALA 16 32.178 -10.665 -3.478
102 2HB ALA 16 3HB ALA 16 31.475 -9.478 -4.579
103 3HB ALA 16 2HB ALA 16 32.639 -8.966 -3.355
104 H SER 17 H SER 17 28.513 -10.750 -2.423
105 HA SER 17 HA SER 17 27.260 -9.695 -4.796
106 1HB SER 17 2HB SER 17 26.856 -11.994 -4.245
107 2HB SER 17 1HB SER 17 26.310 -11.567 -2.628
108 HG SER 17 HG SER 17 24.722 -11.938 -4.535
109 H ALA 18 H ALA 18 25.833 -9.973 -1.560
110 HA ALA 18 HA ALA 18 24.097 -7.762 -1.914
111 1HB ALA 18 1HB ALA 18 24.386 -9.813 -0.053
112 2HB ALA 18 3HB ALA 18 24.691 -8.340 0.869
113 3HB ALA 18 2HB ALA 18 23.177 -8.528 -0.019
114 H THR 19 H THR 19 27.411 -7.967 -1.019
115 HA THR 19 HA THR 19 27.403 -5.311 0.208
116 HB THR 19 HB THR 19 29.738 -7.174 -0.227
117 HG1 THR 19 HG1 THR 19 28.077 -8.171 1.009
118 1HG2 THR 19 3HG2 THR 19 29.328 -4.888 1.717
119 2HG2 THR 19 2HG2 THR 19 30.714 -5.976 1.705
120 3HG2 THR 19 1HG2 THR 19 30.424 -4.908 0.335
121 H GLU 20 H GLU 20 26.737 -5.560 -2.572
122 HA GLU 20 HA GLU 20 29.055 -4.753 -4.100
123 1HB GLU 20 2HB GLU 20 26.492 -5.808 -4.666
124 2HB GLU 20 1HB GLU 20 26.583 -4.236 -5.448
125 1HG GLU 20 2HG GLU 20 28.424 -6.603 -5.837
126 2HG GLU 20 1HG GLU 20 27.381 -5.833 -7.030
127 H TYR 21 H TYR 21 27.036 -3.207 -1.975
128 HA TYR 21 HA TYR 21 27.139 -0.626 -3.363
129 1HB TYR 21 2HB TYR 21 25.550 -1.727 -1.084
130 2HB TYR 21 1HB TYR 21 25.784 0.010 -1.212
131 HD1 TYR 21 HD2 TYR 21 24.920 1.234 -3.199
132 HD2 TYR 21 HD1 TYR 21 24.098 -2.915 -2.571
133 HE1 TYR 21 HE2 TYR 21 23.090 1.342 -4.843
134 HE2 TYR 21 HE1 TYR 21 22.271 -2.794 -4.218
135 HH TYR 21 HH TYR 21 20.884 -1.311 -5.328
136 H ILE 22 H ILE 22 28.613 -2.432 -0.832
137 HA ILE 22 HA ILE 22 29.719 -0.114 0.515
138 HB ILE 22 HB ILE 22 30.046 -3.095 0.864
139 1HG1 ILE 22 2HG1 ILE 22 27.885 -1.885 1.571
140 2HG1 ILE 22 1HG1 ILE 22 28.660 -2.931 2.773
141 1HG2 ILE 22 3HG2 ILE 22 31.817 -1.024 1.799
142 2HG2 ILE 22 2HG2 ILE 22 31.044 -1.809 3.175
143 3HG2 ILE 22 1HG2 ILE 22 31.956 -2.775 2.010
144 1HD1 ILE 22 1HD1 ILE 22 29.797 -0.392 3.176
145 2HD1 ILE 22 3HD1 ILE 22 28.076 -0.104 2.917
146 3HD1 ILE 22 2HD1 ILE 22 28.607 -1.209 4.183
147 H GLY 23 H GLY 23 30.884 -2.727 -1.579
148 1HA GLY 23 2HA GLY 23 33.566 -2.440 -1.558
149 2HA GLY 23 1HA GLY 23 32.668 -2.805 -3.004
150 H TYR 24 H TYR 24 31.375 -0.321 -3.424
151 HA TYR 24 HA TYR 24 33.364 1.059 -4.794
152 1HB TYR 24 2HB TYR 24 30.706 2.087 -3.801
153 2HB TYR 24 1HB TYR 24 31.740 2.935 -4.939
154 HD1 TYR 24 HD2 TYR 24 32.539 1.443 -6.994
155 HD2 TYR 24 HD1 TYR 24 28.995 0.738 -4.695
156 HE1 TYR 24 HE2 TYR 24 31.565 0.169 -8.862
157 HE2 TYR 24 HE1 TYR 24 28.044 -0.531 -6.567
158 HH TYR 24 HH TYR 24 29.460 -1.890 -8.793
159 H ALA 25 H ALA 25 32.069 1.676 -1.552
160 HA ALA 25 HA ALA 25 34.029 3.810 -1.140
161 1HB ALA 25 2HB ALA 25 31.652 2.804 0.399
162 2HB ALA 25 1HB ALA 25 32.845 3.862 1.155
163 3HB ALA 25 3HB ALA 25 31.944 4.416 -0.258
164 H TRP 26 H TRP 26 33.708 0.449 -0.678
165 HA TRP 26 HA TRP 26 35.439 0.273 1.641
166 1HB TRP 26 2HB TRP 26 33.739 -1.217 1.753
167 2HB TRP 26 1HB TRP 26 33.683 -1.448 0.035
168 HD1 TRP 26 1HD TRP 26 34.151 -3.791 -0.506
169 HE1 TRP 26 1HE TRP 26 35.712 -5.565 0.353
170 HE3 TRP 26 3HE TRP 26 36.620 -1.161 3.076
171 HZ2 TRP 26 2HZ TRP 26 37.775 -5.904 2.232
172 HZ3 TRP 26 3HZ TRP 26 38.401 -2.263 4.380
173 HH2 TRP 26 HH2 TRP 26 38.983 -4.614 3.953
174 H ALA 27 H ALA 27 35.623 0.081 -1.802
175 HA ALA 27 HA ALA 27 38.152 -1.332 -1.755
176 1HB ALA 27 2HB ALA 27 36.270 -0.385 -3.878
177 2HB ALA 27 1HB ALA 27 37.959 -0.651 -4.318
178 3HB ALA 27 3HB ALA 27 37.004 -1.974 -3.649
179 H MET 28 H MET 28 37.018 1.882 -2.845
180 HA MET 28 HA MET 28 39.418 3.019 -3.557
181 1HB MET 28 2HB MET 28 36.791 3.972 -2.818
182 2HB MET 28 1HB MET 28 38.015 5.015 -2.115
183 1HG MET 28 2HG MET 28 37.165 5.656 -4.431
184 2HG MET 28 1HG MET 28 38.908 5.587 -4.238
185 1HE MET 28 2HE MET 28 37.617 5.922 -6.684
186 2HE MET 28 1HE MET 28 38.356 4.784 -7.810
187 3HE MET 28 3HE MET 28 36.652 4.612 -7.365
188 H VAL 29 H VAL 29 38.184 2.295 -0.400
189 HA VAL 29 HA VAL 29 40.049 3.839 1.111
190 HB VAL 29 HB VAL 29 37.821 2.073 1.565
191 1HG1 VAL 29 1HG1 VAL 29 40.260 1.481 3.212
192 2HG1 VAL 29 3HG1 VAL 29 38.632 1.278 3.864
193 3HG1 VAL 29 2HG1 VAL 29 39.135 0.356 2.444
194 1HG2 VAL 29 1HG2 VAL 29 38.963 4.483 2.596
195 2HG2 VAL 29 3HG2 VAL 29 37.306 3.886 2.719
196 3HG2 VAL 29 2HG2 VAL 29 38.502 3.425 3.932
197 H VAL 30 H VAL 30 39.917 0.479 -0.004
198 HA VAL 30 HA VAL 30 42.302 -0.390 1.239
199 HB VAL 30 HB VAL 30 40.866 -1.412 -1.207
200 1HG1 VAL 30 3HG1 VAL 30 43.325 -2.196 0.057
201 2HG1 VAL 30 2HG1 VAL 30 42.140 -3.500 0.134
202 3HG1 VAL 30 1HG1 VAL 30 42.583 -2.800 -1.424
203 1HG2 VAL 30 1HG2 VAL 30 39.803 -1.245 1.252
204 2HG2 VAL 30 3HG2 VAL 30 39.455 -2.573 0.143
205 3HG2 VAL 30 2HG2 VAL 30 40.664 -2.777 1.412
206 H VAL 31 H VAL 31 41.578 0.769 -2.050
207 HA VAL 31 HA VAL 31 44.061 0.454 -3.212
208 HB VAL 31 HB VAL 31 42.082 2.686 -3.612
209 1HG1 VAL 31 1HG1 VAL 31 44.649 2.397 -4.653
210 2HG1 VAL 31 3HG1 VAL 31 43.564 1.880 -5.944
211 3HG1 VAL 31 2HG1 VAL 31 43.380 3.482 -5.225
212 1HG2 VAL 31 3HG2 VAL 31 42.363 0.015 -5.003
213 2HG2 VAL 31 2HG2 VAL 31 41.063 0.486 -3.905
214 3HG2 VAL 31 1HG2 VAL 31 41.239 1.295 -5.463
215 H ILE 32 H ILE 32 42.959 2.774 -0.912
216 HA ILE 32 HA ILE 32 45.140 4.616 -1.211
217 HB ILE 32 HB ILE 32 42.996 4.225 0.865
218 1HG1 ILE 32 2HG1 ILE 32 43.526 6.469 -1.084
219 2HG1 ILE 32 1HG1 ILE 32 42.386 5.154 -1.351
220 1HG2 ILE 32 1HG2 ILE 32 45.230 6.252 0.860
221 2HG2 ILE 32 3HG2 ILE 32 43.741 6.441 1.790
222 3HG2 ILE 32 2HG2 ILE 32 44.826 5.090 2.126
223 1HD1 ILE 32 3HD1 ILE 32 41.873 6.315 1.219
224 2HD1 ILE 32 2HD1 ILE 32 41.938 7.600 0.009
225 3HD1 ILE 32 1HD1 ILE 32 40.815 6.253 -0.193
226 H VAL 33 H VAL 33 44.502 1.729 0.633
227 HA VAL 33 HA VAL 33 46.775 2.045 2.389
228 HB VAL 33 HB VAL 33 44.723 -0.100 1.893
229 1HG1 VAL 33 1HG1 VAL 33 47.143 -0.209 3.668
230 2HG1 VAL 33 3HG1 VAL 33 45.725 -1.230 3.912
231 3HG1 VAL 33 2HG1 VAL 33 46.651 -1.348 2.415
232 1HG2 VAL 33 3HG2 VAL 33 44.272 2.064 3.218
233 2HG2 VAL 33 2HG2 VAL 33 43.803 0.524 3.942
234 3HG2 VAL 33 1HG2 VAL 33 45.281 1.334 4.468
235 H GLY 34 H GLY 34 46.018 0.615 -0.690
236 1HA GLY 34 2HA GLY 34 48.188 -1.222 -0.835
237 2HA GLY 34 1HA GLY 34 47.273 -0.583 -2.206
238 H ALA 35 H ALA 35 47.777 2.182 -1.591
239 HA ALA 35 HA ALA 35 50.097 2.672 -3.064
240 1HB ALA 35 2HB ALA 35 48.297 4.280 -1.334
241 2HB ALA 35 1HB ALA 35 49.890 4.961 -1.675
242 3HB ALA 35 3HB ALA 35 48.800 4.555 -3.003
243 H THR 36 H THR 36 49.565 2.238 0.360
244 HA THR 36 HA THR 36 52.130 3.095 1.267
245 HB THR 36 HB THR 36 49.927 1.403 2.437
246 HG1 THR 36 HG1 THR 36 49.767 3.229 3.796
247 1HG2 THR 36 1HG2 THR 36 52.653 1.956 3.586
248 2HG2 THR 36 3HG2 THR 36 51.252 1.688 4.625
249 3HG2 THR 36 2HG2 THR 36 51.776 0.426 3.508
250 H ILE 37 H ILE 37 50.754 -0.046 0.369
251 HA ILE 37 HA ILE 37 53.010 -1.624 0.999
252 HB ILE 37 HB ILE 37 50.891 -2.048 -1.099
253 1HG1 ILE 37 2HG1 ILE 37 51.081 -2.952 1.760
254 2HG1 ILE 37 1HG1 ILE 37 49.930 -1.795 1.105
255 1HG2 ILE 37 2HG2 ILE 37 52.912 -3.426 -1.449
256 2HG2 ILE 37 1HG2 ILE 37 52.735 -4.056 0.190
257 3HG2 ILE 37 3HG2 ILE 37 51.498 -4.392 -1.022
258 1HD1 ILE 37 2HD1 ILE 37 49.536 -3.966 -0.522
259 2HD1 ILE 37 1HD1 ILE 37 49.900 -4.733 1.026
260 3HD1 ILE 37 3HD1 ILE 37 48.564 -3.586 0.901
261 H GLY 38 H GLY 38 52.314 0.544 -1.602
262 1HA GLY 38 2HA GLY 38 54.243 -0.493 -3.464
263 2HA GLY 38 1HA GLY 38 53.403 1.055 -3.571
264 H ILE 39 H ILE 39 54.277 1.702 -0.775
265 HA ILE 39 HA ILE 39 56.898 2.785 -1.508
266 HB ILE 39 HB ILE 39 55.594 3.319 1.119
267 1HG1 ILE 39 2HG1 ILE 39 53.715 3.662 -0.271
268 2HG1 ILE 39 1HG1 ILE 39 54.390 5.241 0.053
269 1HG2 ILE 39 1HG2 ILE 39 57.857 4.192 0.385
270 2HG2 ILE 39 3HG2 ILE 39 56.972 5.214 -0.751
271 3HG2 ILE 39 2HG2 ILE 39 56.699 5.383 0.984
272 1HD1 ILE 39 2HD1 ILE 39 55.593 5.065 -2.168
273 2HD1 ILE 39 1HD1 ILE 39 54.587 3.651 -2.499
274 3HD1 ILE 39 3HD1 ILE 39 53.841 5.229 -2.252
275 H LYS 40 H LYS 40 55.358 0.743 0.890
276 HA LYS 40 HA LYS 40 57.593 0.250 2.509
277 1HB LYS 40 2HB LYS 40 54.997 -0.401 2.656
278 2HB LYS 40 1HB LYS 40 55.635 -1.924 2.059
279 1HG LYS 40 2HG LYS 40 56.026 -2.363 4.233
280 2HG LYS 40 1HG LYS 40 57.415 -1.296 4.041
281 1HD LYS 40 2HD LYS 40 54.696 -0.219 4.739
282 2HD LYS 40 1HD LYS 40 55.772 -0.838 5.989
283 1HE LYS 40 2HE LYS 40 56.250 1.492 4.112
284 2HE LYS 40 1HE LYS 40 56.109 1.537 5.868
285 1HZ LYS 40 2HZ LYS 40 58.133 0.093 5.928
286 2HZ LYS 40 1HZ LYS 40 58.326 0.403 4.270
287 3HZ LYS 40 3HZ LYS 40 58.383 1.681 5.381
288 H LEU 41 H LEU 41 56.277 -1.489 -0.282
289 HA LEU 41 HA LEU 41 58.257 -3.506 -0.397
290 1HB LEU 41 2HB LEU 41 56.367 -2.344 -2.435
291 2HB LEU 41 1HB LEU 41 57.478 -3.648 -2.831
292 HG LEU 41 HG LEU 41 55.325 -3.692 -0.715
293 1HD1 LEU 41 3HD1 LEU 41 55.593 -5.048 -3.391
294 2HD1 LEU 41 2HD1 LEU 41 54.425 -5.546 -2.165
295 3HD1 LEU 41 1HD1 LEU 41 54.337 -3.927 -2.862
296 1HD2 LEU 41 3HD2 LEU 41 57.565 -5.583 -1.305
297 2HD2 LEU 41 2HD2 LEU 41 56.887 -5.086 0.248
298 3HD2 LEU 41 1HD2 LEU 41 56.011 -6.227 -0.773
299 H PHE 42 H PHE 42 57.949 -0.340 -1.959
300 HA PHE 42 HA PHE 42 60.082 -0.351 -3.701
301 1HB PHE 42 2HB PHE 42 58.470 1.492 -3.466
302 2HB PHE 42 1HB PHE 42 59.204 1.928 -1.930
303 HD1 PHE 42 HD2 PHE 42 61.382 2.988 -1.842
304 HD2 PHE 42 HD1 PHE 42 59.594 1.929 -5.572
305 HE1 PHE 42 HE2 PHE 42 63.011 4.409 -3.027
306 HE2 PHE 42 HE1 PHE 42 61.223 3.351 -6.755
307 HZ PHE 42 HZ PHE 42 62.931 4.590 -5.483
308 H LYS 43 H LYS 43 60.095 0.370 -0.239
309 HA LYS 43 HA LYS 43 62.835 1.009 -0.042
310 1HB LYS 43 2HB LYS 43 60.875 0.005 2.014
311 2HB LYS 43 1HB LYS 43 62.494 0.583 2.403
312 1HG LYS 43 2HG LYS 43 60.768 2.348 0.722
313 2HG LYS 43 1HG LYS 43 60.339 2.198 2.414
314 1HD LYS 43 2HD LYS 43 62.097 3.429 3.120
315 2HD LYS 43 1HD LYS 43 63.206 2.716 1.957
316 1HE LYS 43 2HE LYS 43 62.422 5.268 1.826
317 2HE LYS 43 1HE LYS 43 62.816 4.329 0.390
318 1HZ LYS 43 3HZ LYS 43 60.061 4.327 1.422
319 2HZ LYS 43 2HZ LYS 43 60.612 5.652 0.514
320 3HZ LYS 43 1HZ LYS 43 60.615 4.095 -0.163
321 H LYS 44 H LYS 44 61.218 -2.008 -0.385
322 HA LYS 44 HA LYS 44 63.370 -3.567 0.792
323 1HB LYS 44 2HB LYS 44 61.026 -4.306 0.989
324 2HB LYS 44 1HB LYS 44 60.924 -4.459 -0.753
325 1HG LYS 44 2HG LYS 44 63.215 -5.913 0.190
326 2HG LYS 44 1HG LYS 44 61.786 -6.402 1.104
327 1HD LYS 44 2HD LYS 44 60.755 -6.339 -1.410
328 2HD LYS 44 1HD LYS 44 62.419 -6.781 -1.777
329 1HE LYS 44 2HE LYS 44 60.667 -8.684 -1.345
330 2HE LYS 44 1HE LYS 44 62.283 -8.830 -0.663
331 1HZ LYS 44 3HZ LYS 44 60.118 -7.570 0.891
332 2HZ LYS 44 2HZ LYS 44 60.247 -9.262 0.816
333 3HZ LYS 44 1HZ LYS 44 61.526 -8.337 1.444
334 H PHE 45 H PHE 45 61.909 -3.248 -2.451
335 HA PHE 45 HA PHE 45 63.835 -4.761 -3.845
336 1HB PHE 45 2HB PHE 45 61.779 -2.728 -4.549
337 2HB PHE 45 1HB PHE 45 63.038 -3.047 -5.721
338 HD1 PHE 45 HD1 PHE 45 63.379 -5.399 -6.589
339 HD2 PHE 45 HD2 PHE 45 59.981 -4.301 -4.216
340 HE1 PHE 45 HE1 PHE 45 62.190 -7.416 -7.334
341 HE2 PHE 45 HE2 PHE 45 58.811 -6.321 -4.974
342 HZ PHE 45 HZ PHE 45 59.911 -7.879 -6.530
343 H THR 46 H THR 46 63.831 -1.502 -2.639
344 HA THR 46 HA THR 46 66.217 -0.783 -4.152
345 HB THR 46 HB THR 46 65.869 1.408 -3.210
346 HG1 THR 46 HG1 THR 46 65.128 1.200 -1.208
347 1HG2 THR 46 1HG2 THR 46 63.773 -0.043 -4.636
348 2HG2 THR 46 3HG2 THR 46 63.179 1.388 -3.787
349 3HG2 THR 46 2HG2 THR 46 64.479 1.541 -4.971
350 H SER 47 H SER 47 65.971 -2.824 -1.880
351 HA SER 47 HA SER 47 68.507 -2.433 -0.702
352 1HB SER 47 2HB SER 47 67.215 -0.787 0.651
353 2HB SER 47 1HB SER 47 66.125 -2.081 1.137
354 HG SER 47 HG SER 47 67.549 -2.550 2.625
355 H LYS 48 H LYS 48 67.567 -4.416 -2.169
356 HA LYS 48 HA LYS 48 66.099 -6.476 -1.179
357 1HB LYS 48 2HB LYS 48 68.669 -6.910 -2.664
358 2HB LYS 48 1HB LYS 48 67.195 -7.871 -2.733
359 1HG LYS 48 2HG LYS 48 66.108 -5.701 -3.629
360 2HG LYS 48 1HG LYS 48 67.766 -5.202 -3.960
361 1HD LYS 48 2HD LYS 48 68.088 -7.294 -5.268
362 2HD LYS 48 1HD LYS 48 66.396 -7.695 -4.999
363 1HE LYS 48 2HE LYS 48 66.438 -5.060 -6.038
364 2HE LYS 48 1HE LYS 48 67.561 -6.003 -7.011
365 1HZ LYS 48 1HZ LYS 48 64.900 -7.084 -6.379
366 2HZ LYS 48 3HZ LYS 48 65.074 -5.947 -7.624
367 3HZ LYS 48 2HZ LYS 48 65.913 -7.422 -7.699
368 H ALA 49 H ALA 49 69.558 -5.896 -0.621
369 HA ALA 49 HA ALA 49 70.334 -8.096 0.746
370 1HB ALA 49 2HB ALA 49 70.992 -5.205 1.263
371 2HB ALA 49 1HB ALA 49 71.795 -6.530 2.108
372 3HB ALA 49 3HB ALA 49 71.932 -6.392 0.354
373 H SER 50 H SER 50 68.731 -9.067 1.974
374 HA SER 50 HA SER 50 67.118 -7.824 3.897
375 1HB SER 50 2HB SER 50 67.652 -10.471 4.751
376 2HB SER 50 1HB SER 50 66.238 -9.869 3.896
377 HG SER 50 HG SER 50 68.021 -11.550 2.980
No H/Q in entry = 377
Start of MODEL 23
1 1H ALA 1 3H ALA 1 33.886 22.864 16.228
2 2H ALA 1 2H ALA 1 32.609 22.393 17.244
3 3H ALA 1 1H ALA 1 33.930 23.253 17.878
4 HA ALA 1 HA ALA 1 35.407 21.430 17.453
5 1HB ALA 1 2HB ALA 1 32.865 20.559 18.866
6 2HB ALA 1 1HB ALA 1 34.433 19.763 19.016
7 3HB ALA 1 3HB ALA 1 34.217 21.414 19.610
8 H GLU 2 H GLU 2 35.469 20.919 15.231
9 HA GLU 2 HA GLU 2 35.152 19.622 13.363
10 1HB GLU 2 2HB GLU 2 34.725 17.794 15.677
11 2HB GLU 2 1HB GLU 2 34.340 17.200 14.062
12 1HG GLU 2 2HG GLU 2 36.656 17.960 13.361
13 2HG GLU 2 1HG GLU 2 36.997 18.217 15.073
14 H GLY 3 H GLY 3 33.064 21.347 13.795
15 1HA GLY 3 2HA GLY 3 30.493 20.223 13.935
16 2HA GLY 3 1HA GLY 3 30.893 21.763 13.175
17 H ASP 4 H ASP 4 29.092 19.446 12.401
18 HA ASP 4 HA ASP 4 29.657 19.508 9.586
19 1HB ASP 4 2HB ASP 4 31.089 17.608 10.767
20 2HB ASP 4 1HB ASP 4 29.565 16.729 10.653
21 H ASP 5 H ASP 5 27.553 20.421 9.627
22 HA ASP 5 HA ASP 5 25.268 20.390 9.440
23 1HB ASP 5 2HB ASP 5 26.084 18.314 8.018
24 2HB ASP 5 1HB ASP 5 25.263 17.410 9.291
25 HA PRO 6 HA PRO 6 24.570 19.152 13.769
26 1HB PRO 6 2HB PRO 6 23.674 21.554 14.630
27 2HB PRO 6 1HB PRO 6 25.390 21.141 14.521
28 1HG PRO 6 2HG PRO 6 23.808 22.961 12.861
29 2HG PRO 6 1HG PRO 6 25.562 22.873 13.080
30 1HD PRO 6 2HD PRO 6 23.999 21.860 10.897
31 2HD PRO 6 1HD PRO 6 25.760 21.789 11.113
32 H ALA 7 H ALA 7 22.654 19.514 11.223
33 HA ALA 7 HA ALA 7 20.119 19.868 12.636
34 1HB ALA 7 2HB ALA 7 20.812 19.552 9.713
35 2HB ALA 7 1HB ALA 7 19.158 19.661 10.319
36 3HB ALA 7 3HB ALA 7 20.268 21.016 10.534
37 H LYS 8 H LYS 8 21.516 17.644 13.470
38 HA LYS 8 HA LYS 8 21.637 15.331 13.483
39 1HB LYS 8 2HB LYS 8 18.699 15.566 13.569
40 2HB LYS 8 1HB LYS 8 19.784 14.563 14.501
41 1HG LYS 8 2HG LYS 8 19.694 17.560 14.762
42 2HG LYS 8 1HG LYS 8 18.742 16.492 15.789
43 1HD LYS 8 2HD LYS 8 21.700 16.982 15.734
44 2HD LYS 8 1HD LYS 8 20.620 16.832 17.113
45 1HE LYS 8 2HE LYS 8 21.761 14.600 15.407
46 2HE LYS 8 1HE LYS 8 22.072 14.920 17.112
47 1HZ LYS 8 3HZ LYS 8 19.283 14.563 16.497
48 2HZ LYS 8 2HZ LYS 8 20.230 13.195 16.160
49 3HZ LYS 8 1HZ LYS 8 20.226 13.866 17.720
50 H ALA 9 H ALA 9 22.106 15.503 11.086
51 HA ALA 9 HA ALA 9 20.068 14.193 9.433
52 1HB ALA 9 3HB ALA 9 22.380 15.948 8.884
53 2HB ALA 9 2HB ALA 9 22.100 14.657 7.713
54 3HB ALA 9 1HB ALA 9 20.826 15.830 8.058
55 H ALA 10 H ALA 10 23.562 13.920 9.051
56 HA ALA 10 HA ALA 10 23.574 11.210 8.424
57 1HB ALA 10 1HB ALA 10 25.457 13.209 8.548
58 2HB ALA 10 3HB ALA 10 25.982 12.110 9.826
59 3HB ALA 10 2HB ALA 10 25.790 11.516 8.174
60 H PHE 11 H PHE 11 23.724 12.817 11.537
61 HA PHE 11 HA PHE 11 24.529 10.638 13.127
62 1HB PHE 11 2HB PHE 11 24.017 13.248 13.605
63 2HB PHE 11 1HB PHE 11 22.574 12.521 14.291
64 HD1 PHE 11 HD2 PHE 11 22.924 10.542 15.934
65 HD2 PHE 11 HD1 PHE 11 26.006 13.330 14.894
66 HE1 PHE 11 HE2 PHE 11 24.166 9.943 17.972
67 HE2 PHE 11 HE1 PHE 11 27.234 12.720 16.932
68 HZ PHE 11 HZ PHE 11 26.319 11.030 18.471
69 H ASN 12 H ASN 12 21.441 11.522 11.755
70 HA ASN 12 HA ASN 12 20.034 9.462 13.285
71 1HB ASN 12 2HB ASN 12 19.176 11.866 12.599
72 2HB ASN 12 1HB ASN 12 18.731 11.033 11.109
73 1HD2 ASN 12 1HD2 ASN 12 17.102 9.509 11.144
74 2HD2 ASN 12 2HD2 ASN 12 16.078 9.242 12.509
75 H SER 13 H SER 13 20.778 10.271 9.904
76 HA SER 13 HA SER 13 19.576 7.998 8.742
77 1HB SER 13 2HB SER 13 21.848 8.803 7.212
78 2HB SER 13 1HB SER 13 20.141 9.089 6.883
79 HG SER 13 HG SER 13 21.045 11.089 7.091
80 H LEU 14 H LEU 14 22.803 8.585 10.024
81 HA LEU 14 HA LEU 14 24.173 6.364 9.112
82 1HB LEU 14 2HB LEU 14 25.321 8.070 10.334
83 2HB LEU 14 1HB LEU 14 24.312 7.810 11.752
84 HG LEU 14 HG LEU 14 25.244 5.521 11.973
85 1HD1 LEU 14 2HD1 LEU 14 26.917 6.370 9.608
86 2HD1 LEU 14 1HD1 LEU 14 27.420 5.085 10.705
87 3HD1 LEU 14 3HD1 LEU 14 25.922 4.923 9.789
88 1HD2 LEU 14 2HD2 LEU 14 27.136 7.867 12.056
89 2HD2 LEU 14 1HD2 LEU 14 26.301 7.070 13.395
90 3HD2 LEU 14 3HD2 LEU 14 27.633 6.257 12.573
91 H GLN 15 H GLN 15 22.006 6.634 11.902
92 HA GLN 15 HA GLN 15 22.354 4.144 13.055
93 1HB GLN 15 2HB GLN 15 20.996 5.788 14.144
94 2HB GLN 15 1HB GLN 15 19.883 5.859 12.785
95 1HG GLN 15 2HG GLN 15 19.907 3.159 13.603
96 2HG GLN 15 1HG GLN 15 19.838 4.117 15.081
97 1HE2 GLN 15 2HD2 GLN 15 16.412 3.513 13.605
98 2HE2 GLN 15 1HD2 GLN 15 17.752 2.472 13.932
99 H ALA 16 H ALA 16 20.217 5.059 10.372
100 HA ALA 16 HA ALA 16 19.463 2.262 9.952
101 1HB ALA 16 2HB ALA 16 18.177 4.734 9.572
102 2HB ALA 16 1HB ALA 16 18.446 4.067 7.961
103 3HB ALA 16 3HB ALA 16 17.562 3.129 9.166
104 H SER 17 H SER 17 22.192 3.535 9.367
105 HA SER 17 HA SER 17 22.536 2.256 6.769
106 1HB SER 17 2HB SER 17 22.844 5.175 7.268
107 2HB SER 17 1HB SER 17 24.015 4.388 6.216
108 HG SER 17 HG SER 17 22.465 4.733 4.781
109 H ALA 18 H ALA 18 23.448 0.967 8.751
110 HA ALA 18 HA ALA 18 25.969 1.818 9.815
111 1HB ALA 18 2HB ALA 18 24.328 -0.673 9.911
112 2HB ALA 18 1HB ALA 18 26.034 -0.768 10.352
113 3HB ALA 18 3HB ALA 18 24.955 0.314 11.233
114 H THR 19 H THR 19 25.039 -0.691 7.460
115 HA THR 19 HA THR 19 27.824 -0.925 6.604
116 HB THR 19 HB THR 19 26.329 -2.926 7.004
117 HG1 THR 19 HG1 THR 19 28.219 -3.180 5.857
118 1HG2 THR 19 1HG2 THR 19 24.733 -1.592 4.994
119 2HG2 THR 19 3HG2 THR 19 25.220 -3.190 4.430
120 3HG2 THR 19 2HG2 THR 19 24.346 -3.021 5.954
121 H GLU 20 H GLU 20 25.911 1.410 6.015
122 HA GLU 20 HA GLU 20 25.834 1.341 3.109
123 1HB GLU 20 2HB GLU 20 24.400 2.687 5.173
124 2HB GLU 20 1HB GLU 20 25.150 3.896 4.139
125 1HG GLU 20 2HG GLU 20 23.238 1.700 3.328
126 2HG GLU 20 1HG GLU 20 22.991 3.441 3.224
127 H TYR 21 H TYR 21 28.097 2.042 5.419
128 HA TYR 21 HA TYR 21 29.395 4.128 3.798
129 1HB TYR 21 2HB TYR 21 29.467 3.423 6.695
130 2HB TYR 21 1HB TYR 21 30.867 4.200 5.973
131 HD1 TYR 21 HD1 TYR 21 30.671 6.481 5.020
132 HD2 TYR 21 HD2 TYR 21 27.409 4.605 7.047
133 HE1 TYR 21 HE1 TYR 21 29.542 8.659 5.232
134 HE2 TYR 21 HE2 TYR 21 26.290 6.789 7.255
135 HH TYR 21 HH TYR 21 27.046 9.253 7.296
136 H ILE 22 H ILE 22 29.610 0.832 4.787
137 HA ILE 22 HA ILE 22 32.449 0.613 4.227
138 HB ILE 22 HB ILE 22 30.303 -1.389 4.941
139 1HG1 ILE 22 2HG1 ILE 22 31.254 0.274 6.684
140 2HG1 ILE 22 1HG1 ILE 22 31.210 -1.440 7.129
141 1HG2 ILE 22 3HG2 ILE 22 33.205 -1.869 4.264
142 2HG2 ILE 22 2HG2 ILE 22 32.303 -2.981 5.296
143 3HG2 ILE 22 1HG2 ILE 22 31.777 -2.690 3.635
144 1HD1 ILE 22 1HD1 ILE 22 33.726 -1.042 5.910
145 2HD1 ILE 22 3HD1 ILE 22 33.474 0.343 6.973
146 3HD1 ILE 22 2HD1 ILE 22 33.381 -1.295 7.617
147 H GLY 23 H GLY 23 29.950 1.097 2.270
148 1HA GLY 23 2HA GLY 23 30.801 -0.856 0.254
149 2HA GLY 23 1HA GLY 23 29.266 0.009 0.237
150 H TYR 24 H TYR 24 31.538 2.251 1.119
151 HA TYR 24 HA TYR 24 32.362 2.900 -1.610
152 1HB TYR 24 2HB TYR 24 31.244 5.103 0.073
153 2HB TYR 24 1HB TYR 24 31.400 4.982 -1.665
154 HD1 TYR 24 HD1 TYR 24 30.065 2.970 -2.741
155 HD2 TYR 24 HD2 TYR 24 29.065 4.851 0.973
156 HE1 TYR 24 HE1 TYR 24 27.745 2.165 -2.944
157 HE2 TYR 24 HE2 TYR 24 26.760 4.040 0.754
158 HH TYR 24 HH TYR 24 25.237 3.183 -0.727
159 H ALA 25 H ALA 25 32.629 3.761 1.855
160 HA ALA 25 HA ALA 25 35.164 5.090 1.462
161 1HB ALA 25 3HB ALA 25 33.738 4.210 3.980
162 2HB ALA 25 2HB ALA 25 35.173 5.238 3.924
163 3HB ALA 25 1HB ALA 25 33.648 5.813 3.246
164 H TRP 26 H TRP 26 34.196 1.910 1.488
165 HA TRP 26 HA TRP 26 36.513 0.800 2.845
166 1HB TRP 26 2HB TRP 26 34.795 -0.545 3.367
167 2HB TRP 26 1HB TRP 26 33.876 -0.057 1.966
168 HD1 TRP 26 1HD TRP 26 33.516 -1.862 0.279
169 HE1 TRP 26 1HE TRP 26 34.689 -4.013 -0.322
170 HE3 TRP 26 3HE TRP 26 37.570 -1.559 3.327
171 HZ2 TRP 26 2HZ TRP 26 37.015 -5.457 0.323
172 HZ3 TRP 26 3HZ TRP 26 39.259 -3.353 3.293
173 HH2 TRP 26 HH2 TRP 26 38.989 -5.288 1.796
174 H ALA 27 H ALA 27 35.014 0.665 -0.363
175 HA ALA 27 HA ALA 27 37.024 -0.774 -1.627
176 1HB ALA 27 2HB ALA 27 34.702 0.773 -2.409
177 2HB ALA 27 1HB ALA 27 36.028 1.016 -3.548
178 3HB ALA 27 3HB ALA 27 35.442 -0.614 -3.214
179 H MET 28 H MET 28 36.581 2.762 -1.500
180 HA MET 28 HA MET 28 38.839 3.539 -2.899
181 1HB MET 28 2HB MET 28 36.969 4.777 -1.057
182 2HB MET 28 1HB MET 28 38.595 5.368 -0.772
183 1HG MET 28 2HG MET 28 37.165 6.671 -2.447
184 2HG MET 28 1HG MET 28 38.789 6.247 -2.961
185 1HE MET 28 1HE MET 28 36.445 7.209 -4.867
186 2HE MET 28 3HE MET 28 38.021 6.769 -5.541
187 3HE MET 28 2HE MET 28 36.545 6.091 -6.226
188 H VAL 29 H VAL 29 38.511 2.401 0.386
189 HA VAL 29 HA VAL 29 41.095 3.118 1.311
190 HB VAL 29 HB VAL 29 38.799 1.572 2.238
191 1HG1 VAL 29 3HG1 VAL 29 41.545 0.626 3.048
192 2HG1 VAL 29 2HG1 VAL 29 40.092 0.340 4.010
193 3HG1 VAL 29 1HG1 VAL 29 40.219 -0.333 2.383
194 1HG2 VAL 29 3HG2 VAL 29 40.352 3.776 3.019
195 2HG2 VAL 29 2HG2 VAL 29 38.901 3.142 3.799
196 3HG2 VAL 29 1HG2 VAL 29 40.496 2.582 4.311
197 H VAL 30 H VAL 30 39.803 0.317 -0.387
198 HA VAL 30 HA VAL 30 42.054 -1.359 -0.172
199 HB VAL 30 HB VAL 30 39.886 -1.176 -2.260
200 1HG1 VAL 30 2HG1 VAL 30 41.922 -2.344 -3.056
201 2HG1 VAL 30 1HG1 VAL 30 41.756 -3.470 -1.709
202 3HG1 VAL 30 3HG1 VAL 30 40.506 -3.391 -2.950
203 1HG2 VAL 30 2HG2 VAL 30 39.188 -1.628 0.105
204 2HG2 VAL 30 1HG2 VAL 30 38.787 -2.915 -1.037
205 3HG2 VAL 30 3HG2 VAL 30 40.166 -3.097 0.050
206 H VAL 31 H VAL 31 41.288 1.348 -2.240
207 HA VAL 31 HA VAL 31 43.344 0.824 -4.168
208 HB VAL 31 HB VAL 31 41.678 3.263 -3.584
209 1HG1 VAL 31 3HG1 VAL 31 43.885 2.794 -5.467
210 2HG1 VAL 31 2HG1 VAL 31 42.439 3.530 -6.164
211 3HG1 VAL 31 1HG1 VAL 31 43.255 4.302 -4.803
212 1HG2 VAL 31 1HG2 VAL 31 40.635 1.037 -4.429
213 2HG2 VAL 31 3HG2 VAL 31 40.206 2.544 -5.239
214 3HG2 VAL 31 2HG2 VAL 31 41.395 1.460 -5.964
215 H ILE 32 H ILE 32 43.082 2.452 -1.147
216 HA ILE 32 HA ILE 32 45.554 3.947 -1.459
217 HB ILE 32 HB ILE 32 43.735 3.553 0.916
218 1HG1 ILE 32 2HG1 ILE 32 44.052 5.897 -0.965
219 2HG1 ILE 32 1HG1 ILE 32 42.702 4.766 -0.956
220 1HG2 ILE 32 3HG2 ILE 32 46.346 4.875 0.610
221 2HG2 ILE 32 2HG2 ILE 32 45.104 5.847 1.405
222 3HG2 ILE 32 1HG2 ILE 32 45.543 4.267 2.059
223 1HD1 ILE 32 3HD1 ILE 32 43.495 6.538 1.367
224 2HD1 ILE 32 2HD1 ILE 32 42.174 6.869 0.244
225 3HD1 ILE 32 1HD1 ILE 32 42.099 5.460 1.304
226 H VAL 33 H VAL 33 44.464 0.915 -0.165
227 HA VAL 33 HA VAL 33 46.730 0.413 1.502
228 HB VAL 33 HB VAL 33 44.497 -1.280 0.399
229 1HG1 VAL 33 2HG1 VAL 33 46.816 -2.060 2.130
230 2HG1 VAL 33 1HG1 VAL 33 45.286 -2.939 2.165
231 3HG1 VAL 33 3HG1 VAL 33 46.213 -2.839 0.668
232 1HG2 VAL 33 3HG2 VAL 33 44.309 0.561 2.295
233 2HG2 VAL 33 2HG2 VAL 33 43.426 -0.964 2.393
234 3HG2 VAL 33 1HG2 VAL 33 44.929 -0.754 3.294
235 H GLY 34 H GLY 34 45.868 -0.128 -1.845
236 1HA GLY 34 2HA GLY 34 47.932 -2.035 -2.416
237 2HA GLY 34 1HA GLY 34 46.980 -1.140 -3.602
238 H ALA 35 H ALA 35 47.536 1.393 -3.365
239 HA ALA 35 HA ALA 35 50.023 1.840 -4.481
240 1HB ALA 35 3HB ALA 35 48.016 3.440 -4.240
241 2HB ALA 35 2HB ALA 35 48.721 3.871 -2.681
242 3HB ALA 35 1HB ALA 35 49.636 4.140 -4.166
243 H THR 36 H THR 36 49.126 1.448 -1.156
244 HA THR 36 HA THR 36 51.482 2.477 0.067
245 HB THR 36 HB THR 36 49.363 0.524 0.959
246 HG1 THR 36 HG1 THR 36 48.889 2.822 0.636
247 1HG2 THR 36 2HG2 THR 36 51.864 1.386 2.298
248 2HG2 THR 36 1HG2 THR 36 50.401 1.330 3.283
249 3HG2 THR 36 3HG2 THR 36 50.957 -0.122 2.447
250 H ILE 37 H ILE 37 50.460 -0.725 -1.039
251 HA ILE 37 HA ILE 37 52.644 -2.216 -0.084
252 HB ILE 37 HB ILE 37 50.881 -2.610 -2.498
253 1HG1 ILE 37 2HG1 ILE 37 50.816 -3.773 0.272
254 2HG1 ILE 37 1HG1 ILE 37 49.667 -2.627 -0.408
255 1HG2 ILE 37 2HG2 ILE 37 53.030 -3.829 -2.714
256 2HG2 ILE 37 1HG2 ILE 37 52.678 -4.647 -1.189
257 3HG2 ILE 37 3HG2 ILE 37 51.630 -4.896 -2.586
258 1HD1 ILE 37 3HD1 ILE 37 49.632 -4.672 -2.252
259 2HD1 ILE 37 2HD1 ILE 37 49.829 -5.539 -0.729
260 3HD1 ILE 37 1HD1 ILE 37 48.455 -4.455 -0.956
261 H GLY 38 H GLY 38 52.248 -0.144 -2.860
262 1HA GLY 38 2HA GLY 38 54.508 -0.967 -4.361
263 2HA GLY 38 1HA GLY 38 53.697 0.596 -4.480
264 H ILE 39 H ILE 39 54.115 2.052 -2.546
265 HA ILE 39 HA ILE 39 56.775 2.804 -2.485
266 HB ILE 39 HB ILE 39 54.678 3.278 -0.368
267 1HG1 ILE 39 2HG1 ILE 39 55.281 5.459 -2.200
268 2HG1 ILE 39 1HG1 ILE 39 54.645 4.049 -3.036
269 1HG2 ILE 39 1HG2 ILE 39 57.326 4.559 -0.959
270 2HG2 ILE 39 3HG2 ILE 39 56.067 5.385 -0.039
271 3HG2 ILE 39 2HG2 ILE 39 56.751 3.873 0.562
272 1HD1 ILE 39 2HD1 ILE 39 53.201 4.694 -0.568
273 2HD1 ILE 39 1HD1 ILE 39 53.124 5.967 -1.789
274 3HD1 ILE 39 3HD1 ILE 39 52.577 4.334 -2.180
275 H LYS 40 H LYS 40 55.019 0.652 -0.281
276 HA LYS 40 HA LYS 40 56.959 0.365 1.694
277 1HB LYS 40 2HB LYS 40 54.502 -0.572 1.429
278 2HB LYS 40 1HB LYS 40 55.354 -1.987 0.821
279 1HG LYS 40 2HG LYS 40 55.468 -2.563 2.996
280 2HG LYS 40 1HG LYS 40 56.799 -1.410 3.054
281 1HD LYS 40 2HD LYS 40 53.973 -0.498 3.452
282 2HD LYS 40 1HD LYS 40 54.864 -1.216 4.791
283 1HE LYS 40 2HE LYS 40 55.477 1.321 3.268
284 2HE LYS 40 1HE LYS 40 55.192 1.128 4.996
285 1HZ LYS 40 3HZ LYS 40 57.296 -0.458 4.670
286 2HZ LYS 40 2HZ LYS 40 57.613 0.697 3.467
287 3HZ LYS 40 1HZ LYS 40 57.411 1.182 5.081
288 H LEU 41 H LEU 41 56.472 -1.443 -1.318
289 HA LEU 41 HA LEU 41 58.500 -3.328 -1.057
290 1HB LEU 41 2HB LEU 41 57.212 -1.981 -3.405
291 2HB LEU 41 1HB LEU 41 58.558 -3.081 -3.657
292 HG LEU 41 HG LEU 41 55.936 -3.712 -2.301
293 1HD1 LEU 41 1HD1 LEU 41 57.132 -4.591 -4.926
294 2HD1 LEU 41 3HD1 LEU 41 55.697 -5.316 -4.200
295 3HD1 LEU 41 2HD1 LEU 41 55.680 -3.618 -4.681
296 1HD2 LEU 41 1HD2 LEU 41 58.515 -5.186 -2.374
297 2HD2 LEU 41 3HD2 LEU 41 57.252 -5.169 -1.142
298 3HD2 LEU 41 2HD2 LEU 41 57.042 -6.126 -2.608
299 H PHE 42 H PHE 42 58.628 0.053 -1.930
300 HA PHE 42 HA PHE 42 61.288 0.099 -2.930
301 1HB PHE 42 2HB PHE 42 59.392 1.846 -3.149
302 2HB PHE 42 1HB PHE 42 59.960 2.431 -1.592
303 HD1 PHE 42 HD1 PHE 42 60.844 1.931 -5.130
304 HD2 PHE 42 HD2 PHE 42 62.024 3.627 -1.394
305 HE1 PHE 42 HE1 PHE 42 62.601 3.225 -6.273
306 HE2 PHE 42 HE2 PHE 42 63.783 4.921 -2.537
307 HZ PHE 42 HZ PHE 42 64.071 4.720 -4.977
308 H LYS 43 H LYS 43 59.928 1.063 0.224
309 HA LYS 43 HA LYS 43 62.373 1.650 1.470
310 1HB LYS 43 2HB LYS 43 59.684 0.864 2.548
311 2HB LYS 43 1HB LYS 43 61.026 1.395 3.565
312 1HG LYS 43 2HG LYS 43 60.613 3.134 1.263
313 2HG LYS 43 1HG LYS 43 59.184 3.017 2.267
314 1HD LYS 43 2HD LYS 43 60.433 3.714 4.245
315 2HD LYS 43 1HD LYS 43 61.936 3.701 3.329
316 1HE LYS 43 2HE LYS 43 59.843 5.757 3.498
317 2HE LYS 43 1HE LYS 43 61.555 5.912 3.110
318 1HZ LYS 43 3HZ LYS 43 61.002 5.013 0.871
319 2HZ LYS 43 2HZ LYS 43 59.357 5.124 1.278
320 3HZ LYS 43 1HZ LYS 43 60.312 6.527 1.204
321 H LYS 44 H LYS 44 61.012 -1.384 0.641
322 HA LYS 44 HA LYS 44 62.394 -2.833 2.759
323 1HB LYS 44 2HB LYS 44 60.056 -3.315 1.457
324 2HB LYS 44 1HB LYS 44 61.152 -4.316 0.518
325 1HG LYS 44 2HG LYS 44 61.025 -4.490 3.537
326 2HG LYS 44 1HG LYS 44 59.937 -5.402 2.496
327 1HD LYS 44 2HD LYS 44 61.754 -6.661 1.485
328 2HD LYS 44 1HD LYS 44 62.970 -5.533 2.079
329 1HE LYS 44 2HE LYS 44 61.532 -7.749 3.515
330 2HE LYS 44 1HE LYS 44 63.233 -7.292 3.589
331 1HZ LYS 44 3HZ LYS 44 62.454 -5.239 4.786
332 2HZ LYS 44 2HZ LYS 44 60.931 -5.978 4.914
333 3HZ LYS 44 1HZ LYS 44 62.290 -6.696 5.638
334 H PHE 45 H PHE 45 62.668 -2.228 -0.695
335 HA PHE 45 HA PHE 45 64.908 -4.049 -1.021
336 1HB PHE 45 2HB PHE 45 63.264 -2.293 -2.768
337 2HB PHE 45 1HB PHE 45 64.890 -2.671 -3.292
338 HD1 PHE 45 HD2 PHE 45 65.578 -5.121 -3.515
339 HD2 PHE 45 HD1 PHE 45 61.500 -3.898 -3.011
340 HE1 PHE 45 HE2 PHE 45 64.809 -7.299 -4.352
341 HE2 PHE 45 HE1 PHE 45 60.752 -6.081 -3.849
342 HZ PHE 45 HZ PHE 45 62.401 -7.781 -4.519
343 H THR 46 H THR 46 64.338 -0.683 -0.407
344 HA THR 46 HA THR 46 67.071 0.074 -1.034
345 HB THR 46 HB THR 46 66.315 2.305 -0.573
346 HG1 THR 46 HG1 THR 46 63.769 1.314 0.102
347 1HG2 THR 46 3HG2 THR 46 65.105 0.567 -2.487
348 2HG2 THR 46 2HG2 THR 46 63.911 1.757 -1.962
349 3HG2 THR 46 1HG2 THR 46 65.455 2.292 -2.629
350 H SER 47 H SER 47 65.285 -1.038 1.663
351 HA SER 47 HA SER 47 67.009 0.227 3.641
352 1HB SER 47 2HB SER 47 64.626 -1.594 3.785
353 2HB SER 47 1HB SER 47 65.626 -1.288 5.200
354 HG SER 47 HG SER 47 64.796 0.668 5.329
355 H LYS 48 H LYS 48 66.930 -2.644 1.771
356 HA LYS 48 HA LYS 48 67.986 -4.639 3.275
357 1HB LYS 48 2HB LYS 48 68.475 -3.775 0.452
358 2HB LYS 48 1HB LYS 48 69.440 -5.085 1.122
359 1HG LYS 48 2HG LYS 48 66.463 -5.189 1.420
360 2HG LYS 48 1HG LYS 48 67.176 -5.562 -0.145
361 1HD LYS 48 2HD LYS 48 68.115 -7.505 0.575
362 2HD LYS 48 1HD LYS 48 68.447 -6.878 2.184
363 1HE LYS 48 2HE LYS 48 66.200 -7.273 2.896
364 2HE LYS 48 1HE LYS 48 65.660 -7.579 1.246
365 1HZ LYS 48 3HZ LYS 48 67.699 -9.365 1.705
366 2HZ LYS 48 2HZ LYS 48 66.781 -9.372 3.134
367 3HZ LYS 48 1HZ LYS 48 66.038 -9.704 1.643
368 H ALA 49 H ALA 49 70.018 -2.259 1.552
369 HA ALA 49 HA ALA 49 72.159 -1.546 1.908
370 1HB ALA 49 3HB ALA 49 71.146 -1.866 4.727
371 2HB ALA 49 2HB ALA 49 72.734 -1.187 4.359
372 3HB ALA 49 1HB ALA 49 71.273 -0.386 3.776
373 H SER 50 H SER 50 72.208 -3.553 4.803
374 HA SER 50 HA SER 50 73.639 -5.225 5.447
375 1HB SER 50 2HB SER 50 72.053 -6.347 3.787
376 2HB SER 50 1HB SER 50 73.369 -6.235 2.624
377 HG SER 50 HG SER 50 73.293 -8.243 3.863
No H/Q in entry = 377
Start of MODEL 24
1 1H ALA 1 1H ALA 1 25.180 8.529 24.696
2 2H ALA 1 3H ALA 1 26.062 7.096 24.910
3 3H ALA 1 2H ALA 1 26.536 8.512 25.719
4 HA ALA 1 HA ALA 1 27.836 9.086 24.061
5 1HB ALA 1 3HB ALA 1 27.969 6.572 23.741
6 2HB ALA 1 2HB ALA 1 26.746 6.742 22.478
7 3HB ALA 1 1HB ALA 1 28.321 7.518 22.290
8 H GLU 2 H GLU 2 27.921 9.829 21.741
9 HA GLU 2 HA GLU 2 25.981 11.682 21.174
10 1HB GLU 2 2HB GLU 2 27.817 10.217 19.282
11 2HB GLU 2 1HB GLU 2 26.864 11.629 18.831
12 1HG GLU 2 2HG GLU 2 28.851 11.600 21.109
13 2HG GLU 2 1HG GLU 2 29.234 12.148 19.476
14 H GLY 3 H GLY 3 23.920 11.537 20.596
15 1HA GLY 3 2HA GLY 3 21.973 10.816 19.607
16 2HA GLY 3 1HA GLY 3 22.958 9.785 18.571
17 H ASP 4 H ASP 4 20.708 9.825 21.044
18 HA ASP 4 HA ASP 4 21.399 7.080 21.893
19 1HB ASP 4 2HB ASP 4 21.076 9.243 23.504
20 2HB ASP 4 1HB ASP 4 19.437 8.590 23.488
21 H ASP 5 H ASP 5 20.338 6.334 19.929
22 HA ASP 5 HA ASP 5 18.571 5.429 18.783
23 1HB ASP 5 2HB ASP 5 18.207 4.298 20.933
24 2HB ASP 5 1HB ASP 5 17.222 5.656 21.479
25 HA PRO 6 HA PRO 6 16.405 9.356 18.052
26 1HB PRO 6 2HB PRO 6 16.825 9.413 15.374
27 2HB PRO 6 1HB PRO 6 17.994 10.005 16.563
28 1HG PRO 6 2HG PRO 6 18.120 7.621 14.878
29 2HG PRO 6 1HG PRO 6 19.411 8.452 15.754
30 1HD PRO 6 2HD PRO 6 18.017 6.054 16.511
31 2HD PRO 6 1HD PRO 6 19.356 6.864 17.346
32 H ALA 7 H ALA 7 16.196 6.484 15.968
33 HA ALA 7 HA ALA 7 14.375 5.207 15.378
34 1HB ALA 7 2HB ALA 7 13.338 6.603 17.504
35 2HB ALA 7 1HB ALA 7 12.260 7.060 16.184
36 3HB ALA 7 3HB ALA 7 12.488 5.358 16.587
37 H LYS 8 H LYS 8 13.923 8.714 14.957
38 HA LYS 8 HA LYS 8 13.105 8.169 12.181
39 1HB LYS 8 2HB LYS 8 12.069 10.608 12.615
40 2HB LYS 8 1HB LYS 8 11.180 9.114 12.862
41 1HG LYS 8 2HG LYS 8 12.020 9.209 15.290
42 2HG LYS 8 1HG LYS 8 12.510 10.860 14.927
43 1HD LYS 8 2HD LYS 8 10.227 10.601 16.006
44 2HD LYS 8 1HD LYS 8 10.295 11.578 14.546
45 1HE LYS 8 2HE LYS 8 8.363 9.898 14.758
46 2HE LYS 8 1HE LYS 8 9.257 9.907 13.239
47 1HZ LYS 8 3HZ LYS 8 10.409 8.137 15.167
48 2HZ LYS 8 2HZ LYS 8 8.788 7.746 14.840
49 3HZ LYS 8 1HZ LYS 8 9.918 7.826 13.575
50 H ALA 9 H ALA 9 14.207 10.997 14.065
51 HA ALA 9 HA ALA 9 15.325 12.495 12.097
52 1HB ALA 9 3HB ALA 9 16.217 12.075 14.939
53 2HB ALA 9 2HB ALA 9 16.994 13.254 13.878
54 3HB ALA 9 1HB ALA 9 15.279 13.409 14.264
55 H ALA 10 H ALA 10 17.775 11.019 14.147
56 HA ALA 10 HA ALA 10 19.675 10.841 12.085
57 1HB ALA 10 1HB ALA 10 19.540 10.280 14.890
58 2HB ALA 10 3HB ALA 10 20.335 8.936 14.067
59 3HB ALA 10 2HB ALA 10 20.962 10.577 13.888
60 H PHE 11 H PHE 11 17.159 8.668 13.077
61 HA PHE 11 HA PHE 11 18.212 6.278 11.952
62 1HB PHE 11 2HB PHE 11 16.138 6.776 13.553
63 2HB PHE 11 1HB PHE 11 15.279 6.727 12.024
64 HD1 PHE 11 HD2 PHE 11 17.720 4.783 14.073
65 HD2 PHE 11 HD1 PHE 11 14.613 4.637 11.127
66 HE1 PHE 11 HE2 PHE 11 17.728 2.326 14.172
67 HE2 PHE 11 HE1 PHE 11 14.635 2.182 11.239
68 HZ PHE 11 HZ PHE 11 16.188 1.026 12.757
69 H ASN 12 H ASN 12 16.548 9.038 10.648
70 HA ASN 12 HA ASN 12 15.966 7.738 8.108
71 1HB ASN 12 2HB ASN 12 14.532 9.539 9.265
72 2HB ASN 12 1HB ASN 12 15.734 10.683 8.667
73 1HD2 ASN 12 2HD2 ASN 12 12.849 9.993 6.245
74 2HD2 ASN 12 1HD2 ASN 12 12.861 10.194 7.961
75 H SER 13 H SER 13 18.312 9.935 9.495
76 HA SER 13 HA SER 13 19.534 10.551 6.936
77 1HB SER 13 2HB SER 13 21.155 11.276 9.194
78 2HB SER 13 1HB SER 13 20.321 12.318 8.042
79 HG SER 13 HG SER 13 19.732 12.149 10.518
80 H LEU 14 H LEU 14 20.183 8.533 9.756
81 HA LEU 14 HA LEU 14 22.793 7.731 8.850
82 1HB LEU 14 2HB LEU 14 22.075 7.821 11.256
83 2HB LEU 14 1HB LEU 14 21.050 6.426 10.932
84 HG LEU 14 HG LEU 14 23.279 5.380 9.991
85 1HD1 LEU 14 1HD1 LEU 14 24.509 7.596 10.306
86 2HD1 LEU 14 3HD1 LEU 14 24.486 7.244 12.035
87 3HD1 LEU 14 2HD1 LEU 14 25.317 6.156 10.924
88 1HD2 LEU 14 1HD2 LEU 14 22.630 5.658 12.934
89 2HD2 LEU 14 3HD2 LEU 14 22.260 4.305 11.855
90 3HD2 LEU 14 2HD2 LEU 14 23.926 4.623 12.340
91 H GLN 15 H GLN 15 19.542 6.351 8.797
92 HA GLN 15 HA GLN 15 20.208 3.780 7.864
93 1HB GLN 15 2HB GLN 15 18.005 4.329 8.756
94 2HB GLN 15 1HB GLN 15 17.706 5.410 7.399
95 1HG GLN 15 2HG GLN 15 18.192 3.269 5.960
96 2HG GLN 15 1HG GLN 15 17.803 2.417 7.453
97 1HE2 GLN 15 2HD2 GLN 15 14.479 2.525 6.360
98 2HE2 GLN 15 1HD2 GLN 15 15.883 1.561 6.652
99 H ALA 16 H ALA 16 19.655 6.824 6.192
100 HA ALA 16 HA ALA 16 19.970 5.571 3.572
101 1HB ALA 16 3HB ALA 16 19.029 8.177 4.603
102 2HB ALA 16 2HB ALA 16 19.846 8.209 3.039
103 3HB ALA 16 1HB ALA 16 18.417 7.199 3.268
104 H SER 17 H SER 17 22.160 6.000 5.741
105 HA SER 17 HA SER 17 24.214 6.832 3.835
106 1HB SER 17 2HB SER 17 23.764 8.135 6.517
107 2HB SER 17 1HB SER 17 25.274 8.260 5.621
108 HG SER 17 HG SER 17 24.321 9.820 4.555
109 H ALA 18 H ALA 18 23.346 4.328 5.131
110 HA ALA 18 HA ALA 18 25.627 3.714 6.881
111 1HB ALA 18 3HB ALA 18 22.892 2.725 6.605
112 2HB ALA 18 2HB ALA 18 24.088 1.431 6.718
113 3HB ALA 18 1HB ALA 18 23.985 2.652 7.989
114 H THR 19 H THR 19 23.909 2.253 4.114
115 HA THR 19 HA THR 19 26.374 0.817 3.395
116 HB THR 19 HB THR 19 24.939 -0.516 1.933
117 HG1 THR 19 HG1 THR 19 23.018 0.155 1.417
118 1HG2 THR 19 2HG2 THR 19 24.044 -0.199 4.796
119 2HG2 THR 19 1HG2 THR 19 23.376 -1.444 3.740
120 3HG2 THR 19 3HG2 THR 19 25.102 -1.434 4.109
121 H GLU 20 H GLU 20 25.169 3.759 2.743
122 HA GLU 20 HA GLU 20 25.519 3.711 -0.137
123 1HB GLU 20 2HB GLU 20 24.084 5.313 1.684
124 2HB GLU 20 1HB GLU 20 25.302 6.354 0.954
125 1HG GLU 20 2HG GLU 20 23.143 6.315 -0.298
126 2HG GLU 20 1HG GLU 20 24.524 5.803 -1.266
127 H TYR 21 H TYR 21 27.497 3.985 2.538
128 HA TYR 21 HA TYR 21 29.493 5.581 1.067
129 1HB TYR 21 2HB TYR 21 28.930 5.211 3.977
130 2HB TYR 21 1HB TYR 21 30.556 5.622 3.451
131 HD1 TYR 21 HD2 TYR 21 30.930 7.737 2.151
132 HD2 TYR 21 HD1 TYR 21 27.196 6.841 4.028
133 HE1 TYR 21 HE2 TYR 21 30.277 10.107 1.997
134 HE2 TYR 21 HE1 TYR 21 26.552 9.212 3.868
135 HH TYR 21 HH TYR 21 27.600 11.396 3.657
136 H ILE 22 H ILE 22 28.746 2.419 2.101
137 HA ILE 22 HA ILE 22 31.530 1.564 2.249
138 HB ILE 22 HB ILE 22 28.949 -0.019 2.384
139 1HG1 ILE 22 2HG1 ILE 22 30.673 1.204 4.576
140 2HG1 ILE 22 1HG1 ILE 22 28.930 1.348 4.336
141 1HG2 ILE 22 2HG2 ILE 22 31.830 -0.850 2.764
142 2HG2 ILE 22 1HG2 ILE 22 30.501 -1.776 3.459
143 3HG2 ILE 22 3HG2 ILE 22 30.602 -1.553 1.714
144 1HD1 ILE 22 2HD1 ILE 22 28.905 -1.224 4.760
145 2HD1 ILE 22 1HD1 ILE 22 30.499 -0.949 5.468
146 3HD1 ILE 22 3HD1 ILE 22 29.085 -0.123 6.128
147 H GLY 23 H GLY 23 29.599 2.348 -0.209
148 1HA GLY 23 2HA GLY 23 30.484 0.138 -1.923
149 2HA GLY 23 1HA GLY 23 29.156 1.234 -2.301
150 H TYR 24 H TYR 24 31.512 3.174 -1.062
151 HA TYR 24 HA TYR 24 33.040 3.440 -3.530
152 1HB TYR 24 2HB TYR 24 31.969 5.969 -2.385
153 2HB TYR 24 1HB TYR 24 32.397 5.564 -4.031
154 HD1 TYR 24 HD1 TYR 24 30.923 3.702 -5.145
155 HD2 TYR 24 HD2 TYR 24 29.669 6.122 -1.843
156 HE1 TYR 24 HE1 TYR 24 28.563 3.238 -5.685
157 HE2 TYR 24 HE2 TYR 24 27.323 5.649 -2.396
158 HH TYR 24 HH TYR 24 26.035 3.841 -3.595
159 H ALA 25 H ALA 25 32.542 4.641 -0.196
160 HA ALA 25 HA ALA 25 35.245 5.600 0.043
161 1HB ALA 25 1HB ALA 25 33.306 6.521 1.335
162 2HB ALA 25 3HB ALA 25 33.238 4.997 2.223
163 3HB ALA 25 2HB ALA 25 34.666 6.029 2.348
164 H TRP 26 H TRP 26 33.851 2.562 -0.034
165 HA TRP 26 HA TRP 26 35.633 1.281 1.867
166 1HB TRP 26 2HB TRP 26 33.679 0.193 2.050
167 2HB TRP 26 1HB TRP 26 33.155 0.689 0.463
168 HD1 TRP 26 1HD TRP 26 32.968 -1.166 -1.218
169 HE1 TRP 26 1HE TRP 26 33.939 -3.486 -1.434
170 HE3 TRP 26 3HE TRP 26 36.179 -1.174 2.723
171 HZ2 TRP 26 2HZ TRP 26 35.818 -5.167 -0.184
172 HZ3 TRP 26 3HZ TRP 26 37.559 -3.166 3.171
173 HH2 TRP 26 HH2 TRP 26 37.386 -5.148 1.723
174 H ALA 27 H ALA 27 34.832 0.927 -1.573
175 HA ALA 27 HA ALA 27 36.918 -0.773 -2.241
176 1HB ALA 27 3HB ALA 27 35.106 1.057 -3.712
177 2HB ALA 27 2HB ALA 27 36.590 0.597 -4.554
178 3HB ALA 27 1HB ALA 27 35.469 -0.648 -3.997
179 H MET 28 H MET 28 36.798 2.778 -2.352
180 HA MET 28 HA MET 28 39.307 3.263 -3.417
181 1HB MET 28 2HB MET 28 37.253 4.813 -2.709
182 2HB MET 28 1HB MET 28 38.261 5.046 -1.287
183 1HG MET 28 2HG MET 28 38.644 6.761 -2.993
184 2HG MET 28 1HG MET 28 40.087 5.820 -2.664
185 1HE MET 28 3HE MET 28 37.308 6.809 -4.821
186 2HE MET 28 2HE MET 28 38.595 7.497 -5.809
187 3HE MET 28 1HE MET 28 37.626 6.167 -6.439
188 H VAL 29 H VAL 29 38.309 2.471 -0.156
189 HA VAL 29 HA VAL 29 40.643 3.162 1.235
190 HB VAL 29 HB VAL 29 38.184 1.859 1.767
191 1HG1 VAL 29 1HG1 VAL 29 40.535 0.285 2.816
192 2HG1 VAL 29 3HG1 VAL 29 38.894 0.175 3.457
193 3HG1 VAL 29 2HG1 VAL 29 39.226 -0.307 1.791
194 1HG2 VAL 29 2HG2 VAL 29 40.397 2.948 3.486
195 2HG2 VAL 29 1HG2 VAL 29 38.882 3.728 3.024
196 3HG2 VAL 29 3HG2 VAL 29 38.867 2.369 4.149
197 H VAL 30 H VAL 30 39.701 0.035 -0.186
198 HA VAL 30 HA VAL 30 41.934 -1.457 0.415
199 HB VAL 30 HB VAL 30 40.300 -1.508 -2.116
200 1HG1 VAL 30 3HG1 VAL 30 42.447 -3.183 -1.059
201 2HG1 VAL 30 2HG1 VAL 30 41.006 -4.074 -1.550
202 3HG1 VAL 30 1HG1 VAL 30 41.834 -3.027 -2.705
203 1HG2 VAL 30 1HG2 VAL 30 39.799 -2.472 0.654
204 2HG2 VAL 30 3HG2 VAL 30 38.670 -1.834 -0.544
205 3HG2 VAL 30 2HG2 VAL 30 39.265 -3.490 -0.685
206 H VAL 31 H VAL 31 41.501 1.003 -2.044
207 HA VAL 31 HA VAL 31 43.916 0.419 -3.461
208 HB VAL 31 HB VAL 31 42.067 2.796 -3.455
209 1HG1 VAL 31 1HG1 VAL 31 44.487 2.193 -5.126
210 2HG1 VAL 31 3HG1 VAL 31 43.200 3.259 -5.689
211 3HG1 VAL 31 2HG1 VAL 31 44.103 3.661 -4.228
212 1HG2 VAL 31 2HG2 VAL 31 42.336 0.355 -5.199
213 2HG2 VAL 31 1HG2 VAL 31 40.912 0.937 -4.332
214 3HG2 VAL 31 3HG2 VAL 31 41.502 1.812 -5.746
215 H ILE 32 H ILE 32 43.137 2.127 -0.604
216 HA ILE 32 HA ILE 32 45.518 3.806 -0.675
217 HB ILE 32 HB ILE 32 43.394 3.429 1.433
218 1HG1 ILE 32 2HG1 ILE 32 43.865 5.696 -0.508
219 2HG1 ILE 32 1HG1 ILE 32 42.614 4.467 -0.669
220 1HG2 ILE 32 3HG2 ILE 32 45.979 4.585 1.643
221 2HG2 ILE 32 2HG2 ILE 32 44.797 5.895 1.683
222 3HG2 ILE 32 1HG2 ILE 32 44.685 4.568 2.843
223 1HD1 ILE 32 2HD1 ILE 32 42.443 5.581 1.956
224 2HD1 ILE 32 1HD1 ILE 32 42.504 6.905 0.790
225 3HD1 ILE 32 3HD1 ILE 32 41.258 5.663 0.650
226 H VAL 33 H VAL 33 44.413 0.807 0.732
227 HA VAL 33 HA VAL 33 46.575 0.601 2.621
228 HB VAL 33 HB VAL 33 44.373 -1.222 1.684
229 1HG1 VAL 33 2HG1 VAL 33 46.712 -1.821 3.426
230 2HG1 VAL 33 1HG1 VAL 33 45.155 -2.581 3.762
231 3HG1 VAL 33 3HG1 VAL 33 45.935 -2.820 2.199
232 1HG2 VAL 33 2HG2 VAL 33 43.883 0.735 3.193
233 2HG2 VAL 33 1HG2 VAL 33 43.411 -0.843 3.825
234 3HG2 VAL 33 3HG2 VAL 33 44.876 -0.059 4.417
235 H GLY 34 H GLY 34 45.872 -0.393 -0.652
236 1HA GLY 34 2HA GLY 34 48.098 -2.252 -0.802
237 2HA GLY 34 1HA GLY 34 47.024 -1.789 -2.125
238 H ALA 35 H ALA 35 47.261 0.907 -2.233
239 HA ALA 35 HA ALA 35 49.533 1.409 -3.716
240 1HB ALA 35 3HB ALA 35 47.987 3.384 -2.024
241 2HB ALA 35 2HB ALA 35 49.083 3.800 -3.344
242 3HB ALA 35 1HB ALA 35 47.595 2.910 -3.678
243 H THR 36 H THR 36 49.094 1.432 -0.272
244 HA THR 36 HA THR 36 51.508 2.783 0.438
245 HB THR 36 HB THR 36 49.650 0.919 1.920
246 HG1 THR 36 HG1 THR 36 49.048 2.873 2.924
247 1HG2 THR 36 1HG2 THR 36 52.306 1.891 2.679
248 2HG2 THR 36 3HG2 THR 36 51.046 2.268 3.857
249 3HG2 THR 36 2HG2 THR 36 51.332 0.593 3.374
250 H ILE 37 H ILE 37 50.577 -0.632 0.135
251 HA ILE 37 HA ILE 37 53.007 -1.784 0.930
252 HB ILE 37 HB ILE 37 50.977 -2.752 -1.076
253 1HG1 ILE 37 2HG1 ILE 37 51.321 -3.253 1.866
254 2HG1 ILE 37 1HG1 ILE 37 49.996 -2.396 1.092
255 1HG2 ILE 37 2HG2 ILE 37 53.209 -4.232 0.311
256 2HG2 ILE 37 1HG2 ILE 37 51.906 -5.003 -0.595
257 3HG2 ILE 37 3HG2 ILE 37 53.047 -3.941 -1.422
258 1HD1 ILE 37 3HD1 ILE 37 50.209 -4.965 -0.126
259 2HD1 ILE 37 2HD1 ILE 37 50.230 -5.190 1.624
260 3HD1 ILE 37 1HD1 ILE 37 48.890 -4.331 0.861
261 H GLY 38 H GLY 38 51.931 -0.465 -2.142
262 1HA GLY 38 2HA GLY 38 54.051 -1.349 -3.778
263 2HA GLY 38 1HA GLY 38 53.045 0.070 -4.076
264 H ILE 39 H ILE 39 53.883 1.061 -1.320
265 HA ILE 39 HA ILE 39 56.302 2.423 -2.239
266 HB ILE 39 HB ILE 39 55.000 2.957 0.395
267 1HG1 ILE 39 2HG1 ILE 39 53.063 2.956 -0.956
268 2HG1 ILE 39 1HG1 ILE 39 53.530 4.630 -0.761
269 1HG2 ILE 39 1HG2 ILE 39 57.122 4.058 -0.663
270 2HG2 ILE 39 3HG2 ILE 39 55.927 5.009 -1.546
271 3HG2 ILE 39 2HG2 ILE 39 55.945 5.033 0.219
272 1HD1 ILE 39 3HD1 ILE 39 54.709 4.439 -3.002
273 2HD1 ILE 39 2HD1 ILE 39 53.865 2.900 -3.203
274 3HD1 ILE 39 1HD1 ILE 39 52.948 4.395 -3.039
275 H LYS 40 H LYS 40 55.144 0.592 0.543
276 HA LYS 40 HA LYS 40 57.487 0.461 2.031
277 1HB LYS 40 2HB LYS 40 54.949 -0.760 2.089
278 2HB LYS 40 1HB LYS 40 56.124 -2.037 2.096
279 1HG LYS 40 2HG LYS 40 55.919 -1.655 4.342
280 2HG LYS 40 1HG LYS 40 57.330 -0.686 3.930
281 1HD LYS 40 2HD LYS 40 54.492 0.304 4.233
282 2HD LYS 40 1HD LYS 40 55.814 0.567 5.366
283 1HE LYS 40 2HE LYS 40 55.743 1.569 2.509
284 2HE LYS 40 1HE LYS 40 55.409 2.527 3.932
285 1HZ LYS 40 2HZ LYS 40 57.900 1.151 4.113
286 2HZ LYS 40 1HZ LYS 40 57.835 2.218 2.794
287 3HZ LYS 40 3HZ LYS 40 57.546 2.794 4.362
288 H LEU 41 H LEU 41 56.409 -1.555 -0.659
289 HA LEU 41 HA LEU 41 58.508 -3.431 -0.612
290 1HB LEU 41 2HB LEU 41 56.676 -2.439 -2.781
291 2HB LEU 41 1HB LEU 41 57.889 -3.673 -3.090
292 HG LEU 41 HG LEU 41 55.719 -3.837 -0.992
293 1HD1 LEU 41 2HD1 LEU 41 54.916 -3.928 -3.362
294 2HD1 LEU 41 1HD1 LEU 41 55.902 -5.377 -3.578
295 3HD1 LEU 41 3HD1 LEU 41 54.574 -5.377 -2.414
296 1HD2 LEU 41 1HD2 LEU 41 58.133 -5.359 -1.359
297 2HD2 LEU 41 3HD2 LEU 41 56.900 -5.510 -0.106
298 3HD2 LEU 41 2HD2 LEU 41 56.730 -6.393 -1.623
299 H PHE 42 H PHE 42 58.148 -0.320 -2.259
300 HA PHE 42 HA PHE 42 60.490 -0.374 -3.796
301 1HB PHE 42 2HB PHE 42 58.473 1.311 -3.693
302 2HB PHE 42 1HB PHE 42 59.536 2.178 -2.591
303 HD1 PHE 42 HD2 PHE 42 59.454 0.630 -5.980
304 HD2 PHE 42 HD1 PHE 42 61.174 3.598 -3.438
305 HE1 PHE 42 HE2 PHE 42 60.661 1.581 -7.906
306 HE2 PHE 42 HE1 PHE 42 62.381 4.549 -5.365
307 HZ PHE 42 HZ PHE 42 62.125 3.540 -7.600
308 H LYS 43 H LYS 43 59.904 0.842 -0.529
309 HA LYS 43 HA LYS 43 62.398 1.929 0.024
310 1HB LYS 43 2HB LYS 43 60.333 0.645 1.778
311 2HB LYS 43 1HB LYS 43 61.761 1.468 2.413
312 1HG LYS 43 2HG LYS 43 60.456 3.038 0.355
313 2HG LYS 43 1HG LYS 43 59.334 2.633 1.637
314 1HD LYS 43 2HD LYS 43 60.763 3.629 3.317
315 2HD LYS 43 1HD LYS 43 62.049 3.870 2.140
316 1HE LYS 43 2HE LYS 43 59.699 5.522 2.729
317 2HE LYS 43 1HE LYS 43 61.237 5.963 1.990
318 1HZ LYS 43 3HZ LYS 43 60.433 5.007 -0.101
319 2HZ LYS 43 2HZ LYS 43 58.936 4.665 0.626
320 3HZ LYS 43 1HZ LYS 43 59.445 6.275 0.438
321 H LYS 44 H LYS 44 61.284 -1.417 0.325
322 HA LYS 44 HA LYS 44 63.321 -2.535 1.788
323 1HB LYS 44 2HB LYS 44 61.811 -4.154 1.400
324 2HB LYS 44 1HB LYS 44 61.321 -3.469 -0.128
325 1HG LYS 44 2HG LYS 44 62.202 -5.781 -0.292
326 2HG LYS 44 1HG LYS 44 63.066 -4.627 -1.299
327 1HD LYS 44 2HD LYS 44 65.012 -4.816 -0.061
328 2HD LYS 44 1HD LYS 44 64.144 -5.112 1.437
329 1HE LYS 44 2HE LYS 44 64.958 -7.064 -0.702
330 2HE LYS 44 1HE LYS 44 65.141 -7.191 1.044
331 1HZ LYS 44 2HZ LYS 44 62.568 -7.237 1.005
332 2HZ LYS 44 1HZ LYS 44 62.770 -7.705 -0.616
333 3HZ LYS 44 3HZ LYS 44 63.443 -8.643 0.626
334 H PHE 45 H PHE 45 63.265 -2.780 -1.763
335 HA PHE 45 HA PHE 45 65.957 -3.475 -2.029
336 1HB PHE 45 2HB PHE 45 63.966 -2.262 -3.918
337 2HB PHE 45 1HB PHE 45 65.587 -2.663 -4.411
338 HD1 PHE 45 HD2 PHE 45 66.370 -5.107 -4.222
339 HD2 PHE 45 HD1 PHE 45 62.266 -3.931 -3.794
340 HE1 PHE 45 HE2 PHE 45 65.652 -7.418 -4.631
341 HE2 PHE 45 HE1 PHE 45 61.572 -6.250 -4.206
342 HZ PHE 45 HZ PHE 45 63.259 -7.994 -4.625
343 H THR 46 H THR 46 64.398 -0.324 -1.915
344 HA THR 46 HA THR 46 66.814 1.065 -2.691
345 HB THR 46 HB THR 46 65.448 3.071 -2.347
346 HG1 THR 46 HG1 THR 46 63.820 2.914 -1.051
347 1HG2 THR 46 2HG2 THR 46 65.366 1.598 -4.452
348 2HG2 THR 46 1HG2 THR 46 63.783 1.083 -3.863
349 3HG2 THR 46 3HG2 THR 46 64.079 2.785 -4.228
350 H SER 47 H SER 47 66.019 -0.445 0.096
351 HA SER 47 HA SER 47 67.460 1.555 1.728
352 1HB SER 47 2HB SER 47 66.116 1.009 3.625
353 2HB SER 47 1HB SER 47 65.027 1.375 2.292
354 HG SER 47 HG SER 47 64.654 -0.815 2.031
355 H LYS 48 H LYS 48 68.209 -1.009 0.197
356 HA LYS 48 HA LYS 48 68.827 -3.078 1.926
357 1HB LYS 48 2HB LYS 48 70.122 -2.061 -0.585
358 2HB LYS 48 1HB LYS 48 70.818 -3.417 0.295
359 1HG LYS 48 2HG LYS 48 67.907 -3.544 -0.312
360 2HG LYS 48 1HG LYS 48 69.019 -3.723 -1.664
361 1HD LYS 48 2HD LYS 48 69.243 -5.344 0.875
362 2HD LYS 48 1HD LYS 48 68.327 -5.877 -0.530
363 1HE LYS 48 2HE LYS 48 70.339 -5.808 -1.904
364 2HE LYS 48 1HE LYS 48 71.269 -5.174 -0.548
365 1HZ LYS 48 1HZ LYS 48 70.626 -7.262 0.656
366 2HZ LYS 48 3HZ LYS 48 70.052 -7.858 -0.823
367 3HZ LYS 48 2HZ LYS 48 71.695 -7.467 -0.649
368 H ALA 49 H ALA 49 70.822 -0.273 1.043
369 HA ALA 49 HA ALA 49 73.113 -0.717 2.410
370 1HB ALA 49 3HB ALA 49 71.547 1.789 1.929
371 2HB ALA 49 2HB ALA 49 73.047 1.841 2.860
372 3HB ALA 49 1HB ALA 49 73.063 1.263 1.192
373 H SER 50 H SER 50 70.601 1.337 3.857
374 HA SER 50 HA SER 50 69.931 1.648 6.025
375 1HB SER 50 2HB SER 50 70.702 -1.258 6.067
376 2HB SER 50 1HB SER 50 70.084 -0.443 7.499
377 HG SER 50 HG SER 50 68.670 -1.497 5.567
No H/Q in entry = 377
Start of MODEL 25
1 1H ALA 1 1H ALA 1 28.842 -29.450 14.897
2 2H ALA 1 3H ALA 1 30.127 -29.143 15.960
3 3H ALA 1 2H ALA 1 29.103 -30.470 16.231
4 HA ALA 1 HA ALA 1 28.183 -29.065 17.710
5 1HB ALA 1 3HB ALA 1 29.021 -26.827 15.843
6 2HB ALA 1 2HB ALA 1 28.096 -26.572 17.323
7 3HB ALA 1 1HB ALA 1 29.737 -27.225 17.407
8 H GLU 2 H GLU 2 26.673 -30.557 16.306
9 HA GLU 2 HA GLU 2 24.606 -30.872 15.365
10 1HB GLU 2 2HB GLU 2 24.309 -28.154 16.619
11 2HB GLU 2 1HB GLU 2 22.977 -28.937 15.774
12 1HG GLU 2 2HG GLU 2 23.164 -30.874 17.284
13 2HG GLU 2 1HG GLU 2 24.487 -30.076 18.136
14 H GLY 3 H GLY 3 22.938 -29.723 13.820
15 1HA GLY 3 2HA GLY 3 22.497 -28.811 11.760
16 2HA GLY 3 1HA GLY 3 23.866 -27.732 12.027
17 H ASP 4 H ASP 4 22.834 -29.565 9.745
18 HA ASP 4 HA ASP 4 24.974 -31.430 9.292
19 1HB ASP 4 2HB ASP 4 22.415 -31.094 8.298
20 2HB ASP 4 1HB ASP 4 23.447 -30.653 6.937
21 H ASP 5 H ASP 5 24.134 -28.206 8.173
22 HA ASP 5 HA ASP 5 26.758 -27.380 7.707
23 1HB ASP 5 2HB ASP 5 26.757 -29.010 5.884
24 2HB ASP 5 1HB ASP 5 25.307 -28.269 5.208
25 HA PRO 6 HA PRO 6 23.595 -24.065 7.587
26 1HB PRO 6 2HB PRO 6 24.652 -22.562 9.574
27 2HB PRO 6 1HB PRO 6 23.539 -23.908 9.857
28 1HG PRO 6 2HG PRO 6 26.441 -23.745 10.323
29 2HG PRO 6 1HG PRO 6 25.227 -24.776 11.095
30 1HD PRO 6 2HD PRO 6 27.050 -25.526 9.066
31 2HD PRO 6 1HD PRO 6 25.704 -26.486 9.707
32 H ALA 7 H ALA 7 27.109 -23.790 7.871
33 HA ALA 7 HA ALA 7 28.627 -22.297 7.004
34 1HB ALA 7 2HB ALA 7 26.618 -22.510 4.760
35 2HB ALA 7 1HB ALA 7 28.183 -21.709 4.599
36 3HB ALA 7 3HB ALA 7 28.109 -23.434 4.962
37 H LYS 8 H LYS 8 26.725 -21.109 8.733
38 HA LYS 8 HA LYS 8 25.626 -19.173 9.275
39 1HB LYS 8 2HB LYS 8 27.910 -17.790 8.066
40 2HB LYS 8 1HB LYS 8 27.129 -17.556 9.611
41 1HG LYS 8 2HG LYS 8 28.226 -19.415 10.587
42 2HG LYS 8 1HG LYS 8 28.760 -20.022 9.023
43 1HD LYS 8 2HD LYS 8 29.786 -17.650 10.586
44 2HD LYS 8 1HD LYS 8 30.683 -19.046 10.008
45 1HE LYS 8 2HE LYS 8 29.636 -16.709 8.399
46 2HE LYS 8 1HE LYS 8 31.307 -17.228 8.605
47 1HZ LYS 8 2HZ LYS 8 29.263 -18.927 7.291
48 2HZ LYS 8 1HZ LYS 8 30.224 -17.818 6.437
49 3HZ LYS 8 3HZ LYS 8 30.950 -19.107 7.265
50 H ALA 9 H ALA 9 24.045 -19.432 7.562
51 HA ALA 9 HA ALA 9 24.299 -17.914 5.121
52 1HB ALA 9 3HB ALA 9 22.542 -19.938 6.149
53 2HB ALA 9 2HB ALA 9 21.592 -18.571 5.562
54 3HB ALA 9 1HB ALA 9 22.738 -19.378 4.487
55 H ALA 10 H ALA 10 21.704 -17.789 7.544
56 HA ALA 10 HA ALA 10 20.782 -15.247 6.974
57 1HB ALA 10 1HB ALA 10 20.513 -17.151 9.159
58 2HB ALA 10 3HB ALA 10 20.426 -15.478 9.716
59 3HB ALA 10 2HB ALA 10 19.317 -16.052 8.469
60 H PHE 11 H PHE 11 23.106 -16.143 9.526
61 HA PHE 11 HA PHE 11 23.672 -13.629 10.533
62 1HB PHE 11 2HB PHE 11 24.737 -16.175 10.844
63 2HB PHE 11 1HB PHE 11 26.087 -15.223 10.246
64 HD1 PHE 11 HD1 PHE 11 26.161 -12.761 11.363
65 HD2 PHE 11 HD2 PHE 11 24.571 -16.288 13.193
66 HE1 PHE 11 HE1 PHE 11 26.518 -11.775 13.590
67 HE2 PHE 11 HE2 PHE 11 24.933 -15.293 15.411
68 HZ PHE 11 HZ PHE 11 25.905 -13.039 15.613
69 H ASN 12 H ASN 12 25.361 -15.290 7.869
70 HA ASN 12 HA ASN 12 27.041 -13.107 7.202
71 1HB ASN 12 2HB ASN 12 27.379 -15.517 6.535
72 2HB ASN 12 1HB ASN 12 26.102 -15.291 5.339
73 1HD2 ASN 12 2HD2 ASN 12 29.729 -14.424 4.232
74 2HD2 ASN 12 1HD2 ASN 12 29.212 -15.598 5.390
75 H SER 13 H SER 13 23.814 -14.060 6.253
76 HA SER 13 HA SER 13 23.464 -12.377 4.020
77 1HB SER 13 2HB SER 13 21.745 -13.967 5.757
78 2HB SER 13 1HB SER 13 20.976 -12.467 5.256
79 HG SER 13 HG SER 13 21.124 -14.617 3.840
80 H LEU 14 H LEU 14 23.021 -11.824 7.471
81 HA LEU 14 HA LEU 14 21.800 -9.330 7.434
82 1HB LEU 14 2HB LEU 14 22.206 -10.729 9.452
83 2HB LEU 14 1HB LEU 14 23.909 -10.290 9.363
84 HG LEU 14 HG LEU 14 22.986 -7.828 9.373
85 1HD1 LEU 14 1HD1 LEU 14 20.592 -8.568 9.177
86 2HD1 LEU 14 3HD1 LEU 14 20.713 -9.211 10.817
87 3HD1 LEU 14 2HD1 LEU 14 20.906 -7.481 10.530
88 1HD2 LEU 14 2HD2 LEU 14 23.113 -9.600 11.825
89 2HD2 LEU 14 1HD2 LEU 14 24.356 -8.505 11.203
90 3HD2 LEU 14 3HD2 LEU 14 22.880 -7.856 11.918
91 H GLN 15 H GLN 15 25.188 -10.195 7.043
92 HA GLN 15 HA GLN 15 26.276 -7.585 7.189
93 1HB GLN 15 2HB GLN 15 27.577 -9.698 7.368
94 2HB GLN 15 1HB GLN 15 27.329 -9.957 5.645
95 1HG GLN 15 2HG GLN 15 29.434 -8.945 5.722
96 2HG GLN 15 1HG GLN 15 28.361 -7.589 5.376
97 1HE2 GLN 15 2HD2 GLN 15 30.276 -6.142 8.005
98 2HE2 GLN 15 1HD2 GLN 15 30.209 -6.368 6.294
99 H ALA 16 H ALA 16 24.696 -9.367 4.660
100 HA ALA 16 HA ALA 16 25.580 -7.788 2.461
101 1HB ALA 16 1HB ALA 16 24.637 -10.076 2.249
102 2HB ALA 16 3HB ALA 16 23.055 -9.428 2.687
103 3HB ALA 16 2HB ALA 16 23.844 -8.899 1.199
104 H SER 17 H SER 17 23.563 -6.998 5.019
105 HA SER 17 HA SER 17 21.876 -5.184 3.464
106 1HB SER 17 2HB SER 17 21.404 -6.682 5.727
107 2HB SER 17 1HB SER 17 21.655 -5.064 6.374
108 HG SER 17 HG SER 17 19.669 -6.024 4.628
109 H ALA 18 H ALA 18 24.700 -5.183 5.462
110 HA ALA 18 HA ALA 18 24.628 -2.259 5.755
111 1HB ALA 18 3HB ALA 18 26.130 -4.470 7.092
112 2HB ALA 18 2HB ALA 18 26.793 -2.835 7.106
113 3HB ALA 18 1HB ALA 18 25.205 -3.151 7.809
114 H THR 19 H THR 19 25.005 -3.287 3.166
115 HA THR 19 HA THR 19 27.873 -2.984 2.614
116 HB THR 19 HB THR 19 27.298 -3.701 0.344
117 HG1 THR 19 HG1 THR 19 25.203 -2.813 0.247
118 1HG2 THR 19 3HG2 THR 19 26.429 -5.354 2.686
119 2HG2 THR 19 2HG2 THR 19 26.165 -5.966 1.053
120 3HG2 THR 19 1HG2 THR 19 27.800 -5.585 1.597
121 H GLU 20 H GLU 20 25.984 -0.777 3.424
122 HA GLU 20 HA GLU 20 26.062 0.909 1.036
123 1HB GLU 20 2HB GLU 20 24.060 0.564 2.759
124 2HB GLU 20 1HB GLU 20 24.904 1.854 3.604
125 1HG GLU 20 2HG GLU 20 24.854 3.137 1.398
126 2HG GLU 20 1HG GLU 20 23.696 1.928 0.839
127 H TYR 21 H TYR 21 27.715 0.348 3.931
128 HA TYR 21 HA TYR 21 28.964 3.008 3.931
129 1HB TYR 21 2HB TYR 21 28.633 0.848 5.949
130 2HB TYR 21 1HB TYR 21 30.049 1.880 6.069
131 HD1 TYR 21 HD2 TYR 21 29.769 4.336 6.390
132 HD2 TYR 21 HD1 TYR 21 26.450 1.645 6.510
133 HE1 TYR 21 HE2 TYR 21 28.404 6.060 7.498
134 HE2 TYR 21 HE1 TYR 21 25.094 3.377 7.618
135 HH TYR 21 HH TYR 21 26.011 5.710 9.194
136 H ILE 22 H ILE 22 29.551 -0.282 3.075
137 HA ILE 22 HA ILE 22 32.429 -0.068 3.193
138 HB ILE 22 HB ILE 22 30.533 -2.164 2.123
139 1HG1 ILE 22 2HG1 ILE 22 30.945 -1.832 4.645
140 2HG1 ILE 22 1HG1 ILE 22 31.110 -3.476 4.005
141 1HG2 ILE 22 3HG2 ILE 22 33.528 -2.044 1.859
142 2HG2 ILE 22 2HG2 ILE 22 32.700 -3.595 1.937
143 3HG2 ILE 22 1HG2 ILE 22 32.331 -2.464 0.632
144 1HD1 ILE 22 1HD1 ILE 22 33.684 -2.378 3.787
145 2HD1 ILE 22 3HD1 ILE 22 33.080 -1.825 5.350
146 3HD1 ILE 22 2HD1 ILE 22 33.119 -3.547 4.976
147 H GLY 23 H GLY 23 30.000 -0.191 0.592
148 1HA GLY 23 2HA GLY 23 31.430 -0.201 -1.660
149 2HA GLY 23 1HA GLY 23 30.032 0.850 -1.472
150 H TYR 24 H TYR 24 31.461 2.465 0.619
151 HA TYR 24 HA TYR 24 33.117 4.030 -1.253
152 1HB TYR 24 2HB TYR 24 31.992 5.095 1.309
153 2HB TYR 24 1HB TYR 24 32.448 5.965 -0.149
154 HD1 TYR 24 HD2 TYR 24 31.140 5.030 -2.325
155 HD2 TYR 24 HD1 TYR 24 29.671 4.943 1.695
156 HE1 TYR 24 HE2 TYR 24 28.824 4.913 -3.160
157 HE2 TYR 24 HE1 TYR 24 27.372 4.819 0.846
158 HH TYR 24 HH TYR 24 26.662 4.342 -2.523
159 H ALA 25 H ALA 25 33.059 2.646 1.987
160 HA ALA 25 HA ALA 25 35.637 3.742 2.698
161 1HB ALA 25 2HB ALA 25 33.497 2.768 4.124
162 2HB ALA 25 1HB ALA 25 34.687 1.474 4.276
163 3HB ALA 25 3HB ALA 25 35.097 3.112 4.785
164 H TRP 26 H TRP 26 34.578 1.085 0.858
165 HA TRP 26 HA TRP 26 36.906 -0.570 1.424
166 1HB TRP 26 2HB TRP 26 35.281 -2.055 1.126
167 2HB TRP 26 1HB TRP 26 34.276 -0.930 0.258
168 HD1 TRP 26 1HD TRP 26 34.001 -1.308 -2.229
169 HE1 TRP 26 1HE TRP 26 35.072 -2.841 -3.871
170 HE3 TRP 26 3HE TRP 26 37.871 -3.085 0.559
171 HZ2 TRP 26 2HZ TRP 26 37.277 -4.575 -4.124
172 HZ3 TRP 26 3HZ TRP 26 39.458 -4.680 -0.448
173 HH2 TRP 26 HH2 TRP 26 39.168 -5.416 -2.779
174 H ALA 27 H ALA 27 35.417 0.660 -1.558
175 HA ALA 27 HA ALA 27 37.510 0.202 -3.259
176 1HB ALA 27 3HB ALA 27 35.375 2.316 -3.199
177 2HB ALA 27 2HB ALA 27 36.616 2.347 -4.456
178 3HB ALA 27 1HB ALA 27 35.558 0.944 -4.295
179 H MET 28 H MET 28 36.966 3.137 -1.323
180 HA MET 28 HA MET 28 39.207 4.579 -2.157
181 1HB MET 28 2HB MET 28 37.237 4.762 -0.041
182 2HB MET 28 1HB MET 28 38.827 5.168 0.577
183 1HG MET 28 2HG MET 28 37.420 7.091 -0.341
184 2HG MET 28 1HG MET 28 39.072 6.984 -0.921
185 1HE MET 28 2HE MET 28 37.833 8.829 -2.416
186 2HE MET 28 1HE MET 28 39.050 8.092 -3.459
187 3HE MET 28 3HE MET 28 37.414 8.382 -4.070
188 H VAL 29 H VAL 29 38.829 2.242 0.472
189 HA VAL 29 HA VAL 29 41.347 2.463 1.636
190 HB VAL 29 HB VAL 29 39.103 0.677 1.736
191 1HG1 VAL 29 1HG1 VAL 29 41.783 -0.707 1.903
192 2HG1 VAL 29 3HG1 VAL 29 40.258 -1.382 2.482
193 3HG1 VAL 29 2HG1 VAL 29 40.482 -1.057 0.762
194 1HG2 VAL 29 3HG2 VAL 29 40.137 2.185 3.500
195 2HG2 VAL 29 2HG2 VAL 29 39.621 0.582 4.026
196 3HG2 VAL 29 1HG2 VAL 29 41.331 0.909 3.737
197 H VAL 30 H VAL 30 40.309 0.285 -0.987
198 HA VAL 30 HA VAL 30 42.646 -1.067 -1.472
199 HB VAL 30 HB VAL 30 40.663 -0.022 -3.486
200 1HG1 VAL 30 2HG1 VAL 30 42.801 -2.117 -3.609
201 2HG1 VAL 30 1HG1 VAL 30 41.404 -2.153 -4.688
202 3HG1 VAL 30 3HG1 VAL 30 42.504 -0.774 -4.714
203 1HG2 VAL 30 1HG2 VAL 30 40.625 -2.277 -1.551
204 2HG2 VAL 30 3HG2 VAL 30 39.302 -1.270 -2.143
205 3HG2 VAL 30 2HG2 VAL 30 39.948 -2.564 -3.155
206 H VAL 31 H VAL 31 41.803 2.230 -2.324
207 HA VAL 31 HA VAL 31 44.090 2.611 -4.030
208 HB VAL 31 HB VAL 31 42.068 4.521 -2.877
209 1HG1 VAL 31 3HG1 VAL 31 44.192 4.967 -4.967
210 2HG1 VAL 31 2HG1 VAL 31 42.885 6.095 -4.597
211 3HG1 VAL 31 1HG1 VAL 31 44.100 5.716 -3.374
212 1HG2 VAL 31 1HG2 VAL 31 41.309 2.733 -4.524
213 2HG2 VAL 31 3HG2 VAL 31 40.956 4.405 -4.963
214 3HG2 VAL 31 2HG2 VAL 31 42.307 3.560 -5.723
215 H ILE 32 H ILE 32 43.457 2.759 -0.682
216 HA ILE 32 HA ILE 32 45.762 4.506 -0.172
217 HB ILE 32 HB ILE 32 43.678 3.413 1.711
218 1HG1 ILE 32 2HG1 ILE 32 44.010 6.147 0.470
219 2HG1 ILE 32 1HG1 ILE 32 42.720 4.995 0.138
220 1HG2 ILE 32 1HG2 ILE 32 45.947 3.928 2.692
221 2HG2 ILE 32 3HG2 ILE 32 45.673 5.610 2.231
222 3HG2 ILE 32 2HG2 ILE 32 44.595 4.825 3.387
223 1HD1 ILE 32 3HD1 ILE 32 42.303 5.132 2.717
224 2HD1 ILE 32 2HD1 ILE 32 43.196 6.649 2.593
225 3HD1 ILE 32 1HD1 ILE 32 41.709 6.423 1.670
226 H VAL 33 H VAL 33 44.491 1.296 0.700
227 HA VAL 33 HA VAL 33 46.795 0.542 2.175
228 HB VAL 33 HB VAL 33 44.355 -0.846 1.131
229 1HG1 VAL 33 3HG1 VAL 33 46.164 -2.476 0.940
230 2HG1 VAL 33 2HG1 VAL 33 46.606 -2.187 2.623
231 3HG1 VAL 33 1HG1 VAL 33 45.042 -2.905 2.230
232 1HG2 VAL 33 1HG2 VAL 33 45.048 0.541 3.490
233 2HG2 VAL 33 3HG2 VAL 33 43.541 -0.299 3.120
234 3HG2 VAL 33 2HG2 VAL 33 44.858 -1.161 3.921
235 H GLY 34 H GLY 34 45.522 -0.918 -0.843
236 1HA GLY 34 2HA GLY 34 47.827 -2.309 -1.543
237 2HA GLY 34 1HA GLY 34 46.599 -1.768 -2.688
238 H ALA 35 H ALA 35 47.076 1.072 -1.898
239 HA ALA 35 HA ALA 35 49.082 1.659 -3.854
240 1HB ALA 35 2HB ALA 35 47.648 3.461 -1.898
241 2HB ALA 35 1HB ALA 35 48.656 4.012 -3.238
242 3HB ALA 35 3HB ALA 35 47.163 3.127 -3.561
243 H THR 36 H THR 36 49.099 1.187 -0.431
244 HA THR 36 HA THR 36 51.582 2.623 -0.017
245 HB THR 36 HB THR 36 49.520 2.078 1.625
246 HG1 THR 36 HG1 THR 36 50.796 3.464 2.535
247 1HG2 THR 36 2HG2 THR 36 51.576 -0.050 2.256
248 2HG2 THR 36 1HG2 THR 36 50.326 0.487 3.378
249 3HG2 THR 36 3HG2 THR 36 49.877 -0.295 1.862
250 H ILE 37 H ILE 37 50.537 -0.762 0.098
251 HA ILE 37 HA ILE 37 52.951 -2.000 0.601
252 HB ILE 37 HB ILE 37 50.684 -2.920 -1.170
253 1HG1 ILE 37 2HG1 ILE 37 51.233 -3.080 1.778
254 2HG1 ILE 37 1HG1 ILE 37 49.769 -2.576 0.952
255 1HG2 ILE 37 2HG2 ILE 37 53.193 -4.078 -0.976
256 2HG2 ILE 37 1HG2 ILE 37 52.221 -4.997 0.170
257 3HG2 ILE 37 3HG2 ILE 37 51.715 -4.875 -1.514
258 1HD1 ILE 37 2HD1 ILE 37 49.959 -5.158 0.112
259 2HD1 ILE 37 1HD1 ILE 37 50.627 -5.271 1.742
260 3HD1 ILE 37 3HD1 ILE 37 49.003 -4.623 1.495
261 H GLY 38 H GLY 38 51.720 -0.674 -2.405
262 1HA GLY 38 2HA GLY 38 53.594 -1.812 -4.185
263 2HA GLY 38 1HA GLY 38 52.688 -0.322 -4.457
264 H ILE 39 H ILE 39 53.541 1.399 -2.666
265 HA ILE 39 HA ILE 39 56.172 2.048 -3.593
266 HB ILE 39 HB ILE 39 54.518 3.391 -1.465
267 1HG1 ILE 39 2HG1 ILE 39 54.589 4.582 -4.141
268 2HG1 ILE 39 1HG1 ILE 39 53.802 3.013 -4.091
269 1HG2 ILE 39 2HG2 ILE 39 57.141 3.832 -2.344
270 2HG2 ILE 39 1HG2 ILE 39 56.165 5.105 -3.075
271 3HG2 ILE 39 3HG2 ILE 39 56.154 4.884 -1.326
272 1HD1 ILE 39 2HD1 ILE 39 52.705 4.180 -1.902
273 2HD1 ILE 39 1HD1 ILE 39 52.952 5.590 -2.933
274 3HD1 ILE 39 3HD1 ILE 39 51.982 4.234 -3.510
275 H LYS 40 H LYS 40 54.809 0.811 -0.577
276 HA LYS 40 HA LYS 40 57.118 1.151 1.023
277 1HB LYS 40 2HB LYS 40 54.531 -0.015 1.330
278 2HB LYS 40 1HB LYS 40 55.736 -1.184 1.828
279 1HG LYS 40 2HG LYS 40 55.507 -0.110 3.807
280 2HG LYS 40 1HG LYS 40 56.771 0.893 3.109
281 1HD LYS 40 2HD LYS 40 53.796 1.467 3.111
282 2HD LYS 40 1HD LYS 40 55.001 2.269 4.101
283 1HE LYS 40 2HE LYS 40 55.881 3.458 2.282
284 2HE LYS 40 1HE LYS 40 55.186 2.351 1.092
285 1HZ LYS 40 3HZ LYS 40 52.966 3.173 2.062
286 2HZ LYS 40 2HZ LYS 40 53.882 4.488 2.626
287 3HZ LYS 40 1HZ LYS 40 53.807 4.152 0.962
288 H LEU 41 H LEU 41 55.982 -1.506 -0.993
289 HA LEU 41 HA LEU 41 57.879 -3.440 -0.412
290 1HB LEU 41 2HB LEU 41 56.235 -2.757 -2.796
291 2HB LEU 41 1HB LEU 41 57.535 -3.921 -3.008
292 HG LEU 41 HG LEU 41 55.281 -4.095 -1.002
293 1HD1 LEU 41 3HD1 LEU 41 54.649 -4.529 -3.360
294 2HD1 LEU 41 2HD1 LEU 41 55.843 -5.827 -3.408
295 3HD1 LEU 41 1HD1 LEU 41 54.461 -5.939 -2.317
296 1HD2 LEU 41 2HD2 LEU 41 57.844 -5.509 -1.172
297 2HD2 LEU 41 1HD2 LEU 41 56.699 -5.391 0.166
298 3HD2 LEU 41 3HD2 LEU 41 56.446 -6.582 -1.111
299 H PHE 42 H PHE 42 58.228 -0.453 -2.120
300 HA PHE 42 HA PHE 42 60.736 -1.167 -3.380
301 1HB PHE 42 2HB PHE 42 59.079 0.429 -4.368
302 2HB PHE 42 1HB PHE 42 59.473 1.558 -3.080
303 HD1 PHE 42 HD1 PHE 42 61.645 2.670 -3.021
304 HD2 PHE 42 HD2 PHE 42 60.620 -0.034 -6.163
305 HE1 PHE 42 HE1 PHE 42 63.539 3.506 -4.361
306 HE2 PHE 42 HE2 PHE 42 62.511 0.803 -7.502
307 HZ PHE 42 HZ PHE 42 63.971 2.573 -6.601
308 H LYS 43 H LYS 43 59.729 1.127 -0.829
309 HA LYS 43 HA LYS 43 62.258 2.011 -0.090
310 1HB LYS 43 2HB LYS 43 59.812 1.621 1.621
311 2HB LYS 43 1HB LYS 43 61.233 2.537 2.117
312 1HG LYS 43 2HG LYS 43 59.785 3.186 -0.445
313 2HG LYS 43 1HG LYS 43 59.202 3.803 1.086
314 1HD LYS 43 2HD LYS 43 60.650 5.494 0.993
315 2HD LYS 43 1HD LYS 43 61.996 4.367 0.980
316 1HE LYS 43 2HE LYS 43 61.698 6.077 -0.974
317 2HE LYS 43 1HE LYS 43 62.193 4.427 -1.334
318 1HZ LYS 43 1HZ LYS 43 59.330 5.020 -1.286
319 2HZ LYS 43 3HZ LYS 43 60.232 5.601 -2.600
320 3HZ LYS 43 2HZ LYS 43 60.199 3.937 -2.264
321 H LYS 44 H LYS 44 60.660 -0.986 0.560
322 HA LYS 44 HA LYS 44 62.037 -1.849 2.833
323 1HB LYS 44 2HB LYS 44 60.201 -3.144 2.299
324 2HB LYS 44 1HB LYS 44 60.587 -3.197 0.594
325 1HG LYS 44 2HG LYS 44 60.856 -5.385 1.801
326 2HG LYS 44 1HG LYS 44 62.285 -4.826 0.924
327 1HD LYS 44 2HD LYS 44 62.525 -5.754 3.462
328 2HD LYS 44 1HD LYS 44 63.515 -4.427 2.855
329 1HE LYS 44 2HE LYS 44 62.640 -2.971 4.316
330 2HE LYS 44 1HE LYS 44 60.990 -3.484 3.993
331 1HZ LYS 44 1HZ LYS 44 61.707 -5.550 5.356
332 2HZ LYS 44 3HZ LYS 44 62.905 -4.512 5.963
333 3HZ LYS 44 2HZ LYS 44 61.263 -4.117 6.154
334 H PHE 45 H PHE 45 62.685 -3.230 -0.394
335 HA PHE 45 HA PHE 45 65.236 -4.164 0.259
336 1HB PHE 45 2HB PHE 45 63.860 -3.566 -2.347
337 2HB PHE 45 1HB PHE 45 65.485 -4.195 -2.291
338 HD1 PHE 45 HD2 PHE 45 65.889 -6.456 -1.116
339 HD2 PHE 45 HD1 PHE 45 61.980 -5.013 -2.146
340 HE1 PHE 45 HE2 PHE 45 64.983 -8.728 -0.914
341 HE2 PHE 45 HE1 PHE 45 61.098 -7.296 -1.939
342 HZ PHE 45 HZ PHE 45 62.593 -9.151 -1.325
343 H THR 46 H THR 46 64.171 -1.086 -1.069
344 HA THR 46 HA THR 46 66.816 -0.207 -1.745
345 HB THR 46 HB THR 46 65.735 1.905 -2.228
346 HG1 THR 46 HG1 THR 46 63.410 1.994 -1.849
347 1HG2 THR 46 1HG2 THR 46 65.137 -0.553 -3.437
348 2HG2 THR 46 3HG2 THR 46 63.607 0.323 -3.350
349 3HG2 THR 46 2HG2 THR 46 64.997 1.054 -4.154
350 H SER 47 H SER 47 64.487 1.276 0.483
351 HA SER 47 HA SER 47 66.685 2.243 2.144
352 1HB SER 47 2HB SER 47 63.732 2.654 2.589
353 2HB SER 47 1HB SER 47 65.064 3.607 3.232
354 HG SER 47 HG SER 47 65.457 4.392 1.170
355 H LYS 48 H LYS 48 66.869 -0.339 2.347
356 HA LYS 48 HA LYS 48 65.274 -1.860 3.953
357 1HB LYS 48 2HB LYS 48 68.280 -1.863 4.036
358 2HB LYS 48 1HB LYS 48 67.206 -3.205 4.399
359 1HG LYS 48 2HG LYS 48 67.300 -3.820 2.253
360 2HG LYS 48 1HG LYS 48 66.555 -2.288 1.796
361 1HD LYS 48 2HD LYS 48 68.727 -2.681 0.662
362 2HD LYS 48 1HD LYS 48 68.718 -1.224 1.652
363 1HE LYS 48 2HE LYS 48 70.102 -2.156 3.267
364 2HE LYS 48 1HE LYS 48 69.666 -3.807 2.832
365 1HZ LYS 48 1HZ LYS 48 71.103 -2.111 0.906
366 2HZ LYS 48 3HZ LYS 48 71.957 -2.872 2.158
367 3HZ LYS 48 2HZ LYS 48 71.081 -3.804 1.040
368 H ALA 49 H ALA 49 67.962 0.206 5.027
369 HA ALA 49 HA ALA 49 68.583 0.908 7.116
370 1HB ALA 49 2HB ALA 49 66.571 2.328 6.408
371 2HB ALA 49 1HB ALA 49 65.642 1.358 7.553
372 3HB ALA 49 3HB ALA 49 66.998 2.333 8.121
373 H SER 50 H SER 50 67.400 0.922 9.573
374 HA SER 50 HA SER 50 67.952 -1.643 10.567
375 1HB SER 50 2HB SER 50 66.867 -0.780 12.666
376 2HB SER 50 1HB SER 50 68.158 0.231 12.025
377 HG SER 50 HG SER 50 65.366 0.621 11.573
No H/Q in entry = 377