Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
2170 | 1bhi RC | 4216 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 H3 MET 1 -18.486 5.005 6.383
2 2H MET 1 H2 MET 1 -17.298 3.986 5.857
3 3H MET 1 H1 MET 1 -18.481 4.489 4.817
4 HA MET 1 HA MET 1 -20.159 3.326 6.001
5 1HB MET 1 HB1 MET 1 -17.743 1.530 5.500
6 2HB MET 1 HB2 MET 1 -19.448 1.027 5.539
7 1HG MET 1 HG1 MET 1 -18.133 2.896 3.529
8 2HG MET 1 HG2 MET 1 -18.725 1.257 3.230
9 1HE MET 1 HE1 MET 1 -19.980 2.066 1.112
10 2HE MET 1 HE2 MET 1 -21.136 3.419 1.076
11 3HE MET 1 HE3 MET 1 -19.412 3.731 1.386
12 H SER 2 H SER 2 -20.233 1.210 7.536
13 HA SER 2 HA SER 2 -19.607 2.166 10.166
14 1HB SER 2 HB2 SER 2 -21.507 0.624 9.552
15 2HB SER 2 HB1 SER 2 -20.313 -0.669 9.288
16 HG SER 2 HG SER 2 -19.631 -0.296 11.480
17 H ASP 3 H ASP 3 -18.139 -0.249 7.964
18 HA ASP 3 HA ASP 3 -15.756 -0.351 9.762
19 1HB ASP 3 H ASP 3 -16.968 -2.501 9.664
20 2HB ASP 3 H ASP 3 -16.883 -2.478 7.889
21 H ASP 4 H ASP 4 -15.069 1.621 8.607
22 HA ASP 4 HA ASP 4 -14.670 1.703 5.790
23 1HB ASP 4 H ASP 4 -13.308 3.125 8.110
24 2HB ASP 4 H ASP 4 -12.980 3.500 6.404
25 H LYS 5 H LYS 5 -12.718 0.419 8.476
26 HA LYS 5 HA LYS 5 -10.837 -0.872 8.519
27 1HB LYS 5 H LYS 5 -12.404 -2.230 7.029
28 2HB LYS 5 H LYS 5 -11.507 -1.589 5.638
29 1HG LYS 5 H LYS 5 -9.859 -3.098 5.949
30 2HG LYS 5 H LYS 5 -9.621 -2.552 7.625
31 1HD LYS 5 H LYS 5 -11.882 -4.426 6.815
32 2HD LYS 5 H LYS 5 -10.280 -5.020 7.316
33 1HE LYS 5 H LYS 5 -10.541 -4.303 9.515
34 2HE LYS 5 H LYS 5 -11.667 -3.004 9.074
35 1HZ LYS 5 H LYS 5 -12.304 -5.868 9.025
36 2HZ LYS 5 H LYS 5 -12.748 -4.808 10.208
37 3HZ LYS 5 H LYS 5 -13.344 -4.629 8.678
38 HA PRO 6 HA PRO 6 -8.502 2.483 6.303
39 1HB PRO 6 HB2 PRO 6 -6.751 2.658 8.590
40 2HB PRO 6 HB1 PRO 6 -7.940 3.858 8.014
41 1HG PRO 6 HG2 PRO 6 -8.116 2.115 10.334
42 2HG PRO 6 HG1 PRO 6 -9.268 3.371 9.800
43 1HD PRO 6 HD2 PRO 6 -9.561 0.505 9.636
44 2HD PRO 6 HD1 PRO 6 -10.699 1.761 9.065
45 H PHE 7 H PHE 7 -7.176 1.579 4.823
46 HA PHE 7 HA PHE 7 -5.617 -0.812 5.484
47 1HB PHE 7 HB2 PHE 7 -5.932 0.818 2.934
48 2HB PHE 7 HB1 PHE 7 -5.033 -0.702 3.065
49 HD1 PHE 7 HD2 PHE 7 -8.389 0.846 3.078
50 HD2 PHE 7 HD1 PHE 7 -6.179 -2.841 3.325
51 HE1 PHE 7 HE2 PHE 7 -10.484 -0.438 2.718
52 HE2 PHE 7 HE1 PHE 7 -8.274 -4.122 2.957
53 HZ PHE 7 HZ PHE 7 -10.428 -2.920 2.653
54 H LEU 8 H LEU 8 -3.962 -0.235 6.870
55 HA LEU 8 HA LEU 8 -2.244 2.066 6.225
56 1HB LEU 8 HB2 LEU 8 -2.066 -0.018 8.445
57 2HB LEU 8 HB1 LEU 8 -1.123 1.484 8.339
58 HG LEU 8 HG LEU 8 -4.167 1.305 8.573
59 1HD1 LEU 8 HD12 LEU 8 -2.953 0.679 10.645
60 2HD1 LEU 8 HD13 LEU 8 -2.041 2.207 10.565
61 3HD1 LEU 8 HD11 LEU 8 -3.801 2.233 10.829
62 1HD2 LEU 8 HD21 LEU 8 -2.230 3.649 8.387
63 2HD2 LEU 8 HD22 LEU 8 -3.618 3.292 7.331
64 3HD2 LEU 8 HD23 LEU 8 -3.890 3.810 9.008
65 H CYS 9 H CYS 9 -0.695 1.845 4.726
66 HA CYS 9 HA CYS 9 0.240 -0.672 3.746
67 1HB CYS 9 HB2 CYS 9 0.343 1.248 2.314
68 2HB CYS 9 HB1 CYS 9 1.249 2.186 3.519
69 H THR 10 H THR 10 1.982 -1.916 4.263
70 HA THR 10 HA THR 10 3.484 -1.192 6.708
71 HB THR 10 HB THR 10 4.301 -3.614 6.391
72 HG1 THR 10 HG1 THR 10 2.768 -4.806 5.041
73 1HG2 THR 10 HG23 THR 10 2.524 -2.955 7.995
74 2HG2 THR 10 HG22 THR 10 1.308 -3.098 6.703
75 3HG2 THR 10 HG21 THR 10 2.180 -4.542 7.267
76 H ALA 11 H ALA 11 4.701 0.556 5.603
77 HA ALA 11 HA ALA 11 7.046 -0.568 4.183
78 1HB ALA 11 HB2 ALA 11 5.343 1.783 3.273
79 2HB ALA 11 HB1 ALA 11 6.968 1.426 2.640
80 3HB ALA 11 HB3 ALA 11 5.642 0.265 2.394
81 HA PRO 12 HA PRO 12 9.037 1.841 7.271
82 1HB PRO 12 HB1 PRO 12 11.496 2.235 5.990
83 2HB PRO 12 HB2 PRO 12 11.029 0.768 6.900
84 1HG PRO 12 HG1 PRO 12 11.108 1.235 3.941
85 2HG PRO 12 HG2 PRO 12 11.367 -0.281 4.856
86 1HD PRO 12 HD1 PRO 12 9.035 0.369 3.480
87 2HD PRO 12 HD2 PRO 12 9.116 -0.788 4.845
88 H GLY 13 H GLY 13 8.659 3.953 7.698
89 1HA GLY 13 HA2 GLY 13 8.824 6.242 7.517
90 2HA GLY 13 HA1 GLY 13 9.794 6.037 6.045
91 H CYS 14 H CYS 14 7.779 4.449 4.559
92 HA CYS 14 HA CYS 14 6.273 6.738 3.564
93 1HB CYS 14 HB2 CYS 14 7.188 5.104 2.010
94 2HB CYS 14 HB1 CYS 14 6.265 3.800 2.790
95 H GLY 15 H GLY 15 5.221 3.464 4.650
96 1HA GLY 15 HA1 GLY 15 3.096 2.783 5.308
97 2HA GLY 15 HA2 GLY 15 3.536 3.832 6.664
98 H GLN 16 H GLN 16 2.245 4.263 3.283
99 HA GLN 16 HA GLN 16 0.625 6.529 4.156
100 1HB GLN 16 HB1 GLN 16 1.072 5.043 1.562
101 2HB GLN 16 HB2 GLN 16 -0.284 6.183 1.721
102 1HG GLN 16 HG2 GLN 16 1.245 7.979 2.368
103 2HG GLN 16 HG1 GLN 16 2.620 6.858 2.351
104 HE2 GLN 16 HE22 GLN 16 3.012 8.481 -0.866
105 HE2 GLN 16 HE21 GLN 16 3.357 8.706 0.835
106 H ARG 17 H ARG 17 -1.776 6.512 3.462
107 HA ARG 17 HA ARG 17 -3.043 3.930 4.258
108 1HB ARG 17 H ARG 17 -3.038 5.479 6.162
109 2HB ARG 17 H ARG 17 -3.765 6.750 5.161
110 1HG ARG 17 H ARG 17 -5.232 4.141 5.208
111 2HG ARG 17 H ARG 17 -5.198 5.027 6.745
112 1HD ARG 17 H ARG 17 -6.069 6.220 4.075
113 2HD ARG 17 H ARG 17 -7.174 5.626 5.325
114 HE ARG 17 H ARG 17 -5.695 8.143 5.310
115 1HH1 ARG 17 H ARG 17 -7.228 5.691 7.358
116 2HH1 ARG 17 H ARG 17 -7.562 6.798 8.667
117 1HH2 ARG 17 H ARG 17 -6.105 9.588 7.057
118 2HH2 ARG 17 H ARG 17 -6.905 9.017 8.502
119 H PHE 18 H PHE 18 -5.009 3.460 3.247
120 HA PHE 18 HA PHE 18 -5.944 5.370 1.169
121 1HB PHE 18 HB2 PHE 18 -5.385 2.423 0.678
122 2HB PHE 18 HB1 PHE 18 -6.009 3.597 -0.493
123 HD1 PHE 18 HD2 PHE 18 -3.043 2.692 1.566
124 HD2 PHE 18 HD1 PHE 18 -4.528 5.041 -1.717
125 HE1 PHE 18 HE2 PHE 18 -0.716 3.277 0.937
126 HE2 PHE 18 HE1 PHE 18 -2.197 5.627 -2.347
127 HZ PHE 18 HZ PHE 18 -0.294 4.744 -1.015
128 H THR 19 H THR 19 -8.071 4.663 0.248
129 HA THR 19 HA THR 19 -9.847 3.965 2.456
130 HB THR 19 HB THR 19 -11.586 4.394 0.615
131 HG1 THR 19 HG1 THR 19 -10.737 5.384 -1.240
132 1HG2 THR 19 HG23 THR 19 -10.874 6.110 2.265
133 2HG2 THR 19 HG21 THR 19 -9.520 6.564 1.203
134 3HG2 THR 19 HG22 THR 19 -11.197 6.836 0.672
135 H ASN 20 H ASN 20 -8.464 2.379 -0.399
136 HA ASN 20 HA ASN 20 -10.061 -0.055 0.267
137 1HB ASN 20 HB2 ASN 20 -9.238 0.738 -2.543
138 2HB ASN 20 HB1 ASN 20 -10.359 -0.547 -2.049
139 1HD2 ASN 20 HD21 ASN 20 -11.777 3.082 -2.937
140 2HD2 ASN 20 HD22 ASN 20 -10.181 2.488 -3.355
141 H GLU 21 H GLU 21 -9.034 -2.050 -0.557
142 HA GLU 21 HA GLU 21 -6.210 -2.082 0.082
143 1HB GLU 21 H GLU 21 -8.202 -3.883 0.358
144 2HB GLU 21 H GLU 21 -7.591 -4.416 -1.222
145 1HG GLU 21 H GLU 21 -5.767 -3.959 1.176
146 2HG GLU 21 H GLU 21 -6.555 -5.517 0.864
147 H ASP 22 H ASP 22 -8.152 -1.673 -2.803
148 HA ASP 22 HA ASP 22 -6.474 -2.768 -4.791
149 1HB ASP 22 H ASP 22 -8.699 -2.017 -5.321
150 2HB ASP 22 H ASP 22 -8.347 -0.373 -4.746
151 H HIS 23 H HIS 23 -6.560 0.536 -3.397
152 HA HIS 23 HA HIS 23 -4.370 1.493 -4.977
153 1HB HIS 23 HB2 HIS 23 -5.261 2.599 -2.307
154 2HB HIS 23 HB1 HIS 23 -4.568 3.473 -3.683
155 HD1 HIS 23 HD1 HIS 23 -6.643 1.916 -5.774
156 HD2 HIS 23 HD2 HIS 23 -7.603 4.211 -2.396
157 HE1 HIS 23 HE1 HIS 23 -9.026 2.756 -6.055
158 H LEU 24 H LEU 24 -4.684 -0.101 -1.824
159 HA LEU 24 HA LEU 24 -2.001 0.429 -0.937
160 1HB LEU 24 HB2 LEU 24 -4.104 -0.373 0.383
161 2HB LEU 24 HB1 LEU 24 -3.647 -1.993 -0.178
162 HG LEU 24 HG LEU 24 -1.213 -1.153 0.717
163 1HD1 LEU 24 HD11 LEU 24 -3.311 0.468 2.174
164 2HD1 LEU 24 HD13 LEU 24 -1.814 -0.023 2.985
165 3HD1 LEU 24 HD12 LEU 24 -1.740 0.981 1.526
166 1HD2 LEU 24 HD23 LEU 24 -3.482 -2.257 2.439
167 2HD2 LEU 24 HD21 LEU 24 -2.378 -3.211 1.422
168 3HD2 LEU 24 HD22 LEU 24 -1.752 -2.343 2.843
169 H ALA 25 H ALA 25 -3.557 -2.086 -2.927
170 HA ALA 25 HA ALA 25 -1.467 -3.990 -2.925
171 1HB ALA 25 HB2 ALA 25 -3.768 -4.411 -3.731
172 2HB ALA 25 HB3 ALA 25 -3.486 -3.318 -5.107
173 3HB ALA 25 HB1 ALA 25 -2.558 -4.830 -4.967
174 H VAL 26 H VAL 26 -2.240 -1.491 -5.445
175 HA VAL 26 HA VAL 26 0.117 -1.958 -6.964
176 HB VAL 26 HB VAL 26 -0.367 0.248 -7.994
177 1HG1 VAL 26 HG13 VAL 26 -1.642 -1.808 -8.633
178 2HG1 VAL 26 HG11 VAL 26 -2.892 -1.374 -7.442
179 3HG1 VAL 26 HG12 VAL 26 -2.591 -0.319 -8.841
180 1HG2 VAL 26 HG23 VAL 26 -2.462 0.462 -5.787
181 2HG2 VAL 26 HG21 VAL 26 -1.038 1.509 -5.982
182 3HG2 VAL 26 HG22 VAL 26 -2.341 1.544 -7.188
183 H HIS 27 H HIS 27 -0.535 0.153 -4.174
184 HA HIS 27 HA HIS 27 1.846 1.704 -4.298
185 1HB HIS 27 HB2 HIS 27 -0.197 2.250 -3.025
186 2HB HIS 27 HB1 HIS 27 0.095 0.861 -1.959
187 HD1 HIS 27 HD1 HIS 27 1.920 4.101 -3.002
188 HD2 HIS 27 HD2 HIS 27 1.460 1.513 0.231
189 HE1 HIS 27 HE1 HIS 27 3.176 5.111 -1.034
190 H LYS 28 H LYS 28 1.017 -1.306 -2.498
191 HA LYS 28 HA LYS 28 3.610 -1.543 -1.269
192 1HB LYS 28 H LYS 28 1.259 -3.422 -1.697
193 2HB LYS 28 H LYS 28 2.745 -3.935 -0.870
194 1HG LYS 28 H LYS 28 1.938 -1.387 0.218
195 2HG LYS 28 H LYS 28 0.526 -2.465 0.204
196 1HD LYS 28 H LYS 28 1.679 -2.807 2.292
197 2HD LYS 28 H LYS 28 1.951 -4.241 1.278
198 1HE LYS 28 H LYS 28 4.124 -2.930 0.513
199 2HE LYS 28 H LYS 28 3.876 -2.025 2.017
200 1HZ LYS 28 H LYS 28 3.818 -4.203 3.137
201 2HZ LYS 28 H LYS 28 4.282 -4.918 1.713
202 3HZ LYS 28 H LYS 28 5.276 -3.827 2.462
203 H HIS 29 H HIS 29 2.084 -2.837 -4.224
204 HA HIS 29 HA HIS 29 3.910 -4.832 -4.884
205 1HB HIS 29 HB2 HIS 29 1.784 -4.411 -6.046
206 2HB HIS 29 HB1 HIS 29 2.435 -2.905 -6.717
207 HD1 HIS 29 HD1 HIS 29 3.701 -6.559 -6.625
208 HD2 HIS 29 HD2 HIS 29 3.186 -3.377 -9.295
209 HE1 HIS 29 HE1 HIS 29 4.522 -7.327 -8.907
210 H LYS 30 H LYS 30 4.093 -1.297 -5.695
211 HA LYS 30 HA LYS 30 6.566 -1.651 -7.142
212 1HB LYS 30 H LYS 30 6.661 0.826 -7.118
213 2HB LYS 30 H LYS 30 5.100 0.195 -7.680
214 1HG LYS 30 H LYS 30 4.088 0.646 -5.494
215 2HG LYS 30 H LYS 30 5.655 1.155 -4.837
216 1HD LYS 30 H LYS 30 4.467 3.165 -5.387
217 2HD LYS 30 H LYS 30 5.704 2.954 -6.648
218 1HE LYS 30 H LYS 30 4.041 2.015 -8.180
219 2HE LYS 30 H LYS 30 2.801 2.043 -6.908
220 1HZ LYS 30 H LYS 30 4.138 4.397 -8.051
221 2HZ LYS 30 H LYS 30 2.604 3.897 -8.394
222 3HZ LYS 30 H LYS 30 2.980 4.422 -6.876
223 H HIS 31 H HIS 31 5.773 -0.879 -3.737
224 HA HIS 31 HA HIS 31 8.404 -0.029 -2.983
225 1HB HIS 31 HB2 HIS 31 6.102 -1.292 -1.449
226 2HB HIS 31 HB1 HIS 31 7.605 -0.770 -0.672
227 HD1 HIS 31 HD1 HIS 31 8.062 1.931 -2.174
228 HD2 HIS 31 HD2 HIS 31 4.396 0.688 -0.563
229 HE1 HIS 31 HE1 HIS 31 6.665 4.010 -1.746
230 H GLU 32 H GLU 32 6.723 -3.180 -2.777
231 HA GLU 32 HA GLU 32 8.979 -4.588 -1.702
232 1HB GLU 32 H GLU 32 6.422 -5.478 -3.098
233 2HB GLU 32 H GLU 32 7.594 -6.606 -2.367
234 1HG GLU 32 H GLU 32 7.285 -5.631 -0.174
235 2HG GLU 32 H GLU 32 6.336 -4.286 -0.836
236 H MET 33 H MET 33 7.541 -4.480 -5.027
237 HA MET 33 HA MET 33 9.890 -5.883 -6.098
238 1HB MET 33 HB2 MET 33 7.518 -4.655 -7.565
239 2HB MET 33 HB1 MET 33 8.693 -5.820 -8.212
240 1HG MET 33 HG1 MET 33 6.716 -6.297 -5.951
241 2HG MET 33 HG2 MET 33 6.624 -6.959 -7.586
242 1HE MET 33 HE1 MET 33 6.180 -9.309 -6.444
243 2HE MET 33 HE2 MET 33 7.285 -10.067 -5.272
244 3HE MET 33 HE3 MET 33 6.388 -8.595 -4.827
245 H THR 34 H THR 34 11.096 -3.901 -5.021
246 HA THR 34 HA THR 34 11.103 -1.392 -6.370
247 HB THR 34 HB THR 34 12.080 -1.853 -4.112
248 HG1 THR 34 HG1 THR 34 13.918 -0.554 -4.486
249 1HG2 THR 34 HG21 THR 34 13.169 -4.036 -4.718
250 2HG2 THR 34 HG23 THR 34 14.356 -3.136 -5.693
251 3HG2 THR 34 HG22 THR 34 14.285 -2.897 -3.932
252 H LEU 35 H LEU 35 12.218 -4.526 -7.339
253 HA LEU 35 HA LEU 35 14.347 -3.690 -9.095
254 1HB LEU 35 HB2 LEU 35 14.197 -5.993 -9.943
255 2HB LEU 35 HB1 LEU 35 14.156 -5.972 -8.167
256 HG LEU 35 HG LEU 35 11.445 -5.762 -8.906
257 1HD1 LEU 35 HD11 LEU 35 12.061 -6.359 -11.238
258 2HD1 LEU 35 HD12 LEU 35 12.863 -7.832 -10.643
259 3HD1 LEU 35 HD13 LEU 35 11.102 -7.644 -10.470
260 1HD2 LEU 35 HD21 LEU 35 13.084 -8.227 -8.173
261 2HD2 LEU 35 HD22 LEU 35 12.375 -7.065 -7.026
262 3HD2 LEU 35 HD23 LEU 35 11.316 -8.081 -8.033
263 H LYS 36 H LYS 36 10.930 -3.326 -9.269
264 HA LYS 36 HA LYS 36 10.405 -3.774 -12.005
265 1HB LYS 36 H LYS 36 8.761 -3.293 -10.134
266 2HB LYS 36 H LYS 36 9.216 -1.577 -10.260
267 1HG LYS 36 H LYS 36 8.592 -1.659 -12.701
268 2HG LYS 36 H LYS 36 8.011 -3.318 -12.463
269 1HD LYS 36 H LYS 36 6.988 -0.839 -10.994
270 2HD LYS 36 H LYS 36 6.160 -1.651 -12.341
271 1HE LYS 36 H LYS 36 6.741 -2.801 -9.575
272 2HE LYS 36 H LYS 36 5.158 -2.390 -10.259
273 1HZ LYS 36 H LYS 36 5.617 -4.077 -11.968
274 2HZ LYS 36 H LYS 36 6.955 -4.539 -11.123
275 3HZ LYS 36 H LYS 36 5.457 -4.690 -10.442
276 H PHE 37 H PHE 37 10.650 -2.550 -13.852
277 HA PHE 37 HA PHE 37 11.581 -1.031 -15.277
278 1HB PHE 37 HB1 PHE 37 11.536 0.933 -12.958
279 2HB PHE 37 HB2 PHE 37 11.559 1.303 -14.687
280 HD1 PHE 37 HD2 PHE 37 9.501 -0.225 -15.925
281 HD2 PHE 37 HD1 PHE 37 9.507 1.527 -11.989
282 HE1 PHE 37 HE2 PHE 37 7.019 -0.154 -15.952
283 HE2 PHE 37 HE1 PHE 37 7.024 1.602 -12.022
284 HZ PHE 37 HZ PHE 37 5.779 0.761 -14.001
285 H GLY 38 H GLY 38 13.337 -2.826 -14.241
286 1HA GLY 38 HA2 GLY 38 15.853 -1.515 -14.566
287 2HA GLY 38 HA1 GLY 38 15.579 -1.892 -12.848
No H/Q in entry = 287
Start of MODEL 2
1 1H MET 1 H1 MET 1 -13.699 -1.372 8.865
2 2H MET 1 H3 MET 1 -12.427 -1.287 9.912
3 3H MET 1 H2 MET 1 -13.834 -1.999 10.386
4 HA MET 1 HA MET 1 -15.003 -0.012 10.447
5 1HB MET 1 HB1 MET 1 -12.264 0.028 11.718
6 2HB MET 1 HB2 MET 1 -13.292 1.471 11.823
7 1HG MET 1 HG1 MET 1 -13.737 0.156 13.778
8 2HG MET 1 HG2 MET 1 -15.143 0.024 12.714
9 1HE MET 1 HE2 MET 1 -12.114 -1.672 14.373
10 2HE MET 1 HE1 MET 1 -12.050 -3.289 13.635
11 3HE MET 1 HE3 MET 1 -11.601 -1.859 12.680
12 H SER 2 H SER 2 -14.898 2.417 10.223
13 HA SER 2 HA SER 2 -14.759 4.217 8.820
14 1HB SER 2 HB2 SER 2 -11.904 3.240 8.365
15 2HB SER 2 HB1 SER 2 -12.520 4.895 8.133
16 HG SER 2 HG SER 2 -13.010 4.921 10.372
17 H ASP 3 H ASP 3 -12.542 3.684 6.459
18 HA ASP 3 HA ASP 3 -14.568 3.060 4.477
19 1HB ASP 3 H ASP 3 -11.545 3.229 4.147
20 2HB ASP 3 H ASP 3 -12.781 3.393 2.883
21 H ASP 4 H ASP 4 -15.197 0.970 5.449
22 HA ASP 4 HA ASP 4 -15.280 -1.305 5.418
23 1HB ASP 4 H ASP 4 -14.894 -1.176 3.026
24 2HB ASP 4 H ASP 4 -13.146 -1.016 3.265
25 H LYS 5 H LYS 5 -11.750 -0.966 4.784
26 HA LYS 5 HA LYS 5 -11.210 -1.873 7.566
27 1HB LYS 5 H LYS 5 -10.014 -3.037 5.019
28 2HB LYS 5 H LYS 5 -9.494 -3.440 6.668
29 1HG LYS 5 H LYS 5 -11.884 -4.174 7.136
30 2HG LYS 5 H LYS 5 -12.215 -3.983 5.406
31 1HD LYS 5 H LYS 5 -10.145 -5.841 6.664
32 2HD LYS 5 H LYS 5 -11.675 -6.331 5.904
33 1HE LYS 5 H LYS 5 -9.327 -4.973 4.499
34 2HE LYS 5 H LYS 5 -9.772 -6.680 4.369
35 1HZ LYS 5 H LYS 5 -11.484 -4.434 3.534
36 2HZ LYS 5 H LYS 5 -10.567 -5.369 2.519
37 3HZ LYS 5 H LYS 5 -11.819 -6.040 3.365
38 HA PRO 6 HA PRO 6 -8.258 1.423 7.222
39 1HB PRO 6 HB2 PRO 6 -6.400 0.464 9.124
40 2HB PRO 6 HB1 PRO 6 -7.803 1.518 9.453
41 1HG PRO 6 HG1 PRO 6 -7.446 -1.355 10.050
42 2HG PRO 6 HG2 PRO 6 -8.654 -0.208 10.697
43 1HD PRO 6 HD1 PRO 6 -9.085 -2.236 8.733
44 2HD PRO 6 HD2 PRO 6 -10.223 -0.943 9.217
45 H PHE 7 H PHE 7 -7.191 1.314 5.249
46 HA PHE 7 HA PHE 7 -5.391 -0.961 4.732
47 1HB PHE 7 HB2 PHE 7 -6.196 1.375 2.964
48 2HB PHE 7 HB1 PHE 7 -5.375 -0.108 2.455
49 HD1 PHE 7 HD1 PHE 7 -6.684 -2.355 3.210
50 HD2 PHE 7 HD2 PHE 7 -8.501 1.490 2.586
51 HE1 PHE 7 HE1 PHE 7 -8.883 -3.443 2.846
52 HE2 PHE 7 HE2 PHE 7 -10.694 0.401 2.224
53 HZ PHE 7 HZ PHE 7 -10.888 -2.069 2.345
54 H LEU 8 H LEU 8 -4.011 -0.137 6.579
55 HA LEU 8 HA LEU 8 -2.329 2.192 5.872
56 1HB LEU 8 HB2 LEU 8 -3.141 1.977 8.189
57 2HB LEU 8 HB1 LEU 8 -2.414 0.361 8.311
58 HG LEU 8 HG LEU 8 -0.154 1.381 7.914
59 1HD1 LEU 8 HD13 LEU 8 -1.792 3.951 7.958
60 2HD1 LEU 8 HD12 LEU 8 -0.034 3.914 8.234
61 3HD1 LEU 8 HD11 LEU 8 -0.699 3.379 6.677
62 1HD2 LEU 8 HD21 LEU 8 -1.007 0.997 10.211
63 2HD2 LEU 8 HD22 LEU 8 0.031 2.440 10.136
64 3HD2 LEU 8 HD23 LEU 8 -1.739 2.620 10.206
65 H CYS 9 H CYS 9 -0.618 1.840 4.555
66 HA CYS 9 HA CYS 9 0.327 -0.803 3.942
67 1HB CYS 9 HB2 CYS 9 0.526 0.906 2.271
68 2HB CYS 9 HB1 CYS 9 1.405 1.983 3.381
69 H THR 10 H THR 10 1.811 -2.037 4.919
70 HA THR 10 HA THR 10 3.361 -0.892 7.155
71 HB THR 10 HB THR 10 2.389 -2.932 7.798
72 HG1 THR 10 HG1 THR 10 4.151 -4.321 7.969
73 1HG2 THR 10 HG22 THR 10 3.128 -3.960 5.026
74 2HG2 THR 10 HG21 THR 10 2.591 -5.021 6.345
75 3HG2 THR 10 HG23 THR 10 1.503 -3.763 5.722
76 H ALA 11 H ALA 11 5.219 0.092 6.603
77 HA ALA 11 HA ALA 11 7.205 -1.352 5.035
78 1HB ALA 11 HB3 ALA 11 5.625 0.936 3.918
79 2HB ALA 11 HB2 ALA 11 7.379 0.957 3.632
80 3HB ALA 11 HB1 ALA 11 6.404 -0.425 3.083
81 HA PRO 12 HA PRO 12 9.802 0.827 7.791
82 1HB PRO 12 HB2 PRO 12 12.042 1.367 6.185
83 2HB PRO 12 HB1 PRO 12 11.704 -0.176 7.017
84 1HG PRO 12 HG2 PRO 12 11.378 0.534 4.134
85 2HG PRO 12 HG1 PRO 12 11.674 -1.063 4.884
86 1HD PRO 12 HD1 PRO 12 9.212 -0.154 3.896
87 2HD PRO 12 HD2 PRO 12 9.424 -1.496 5.060
88 H GLY 13 H GLY 13 10.751 2.460 4.717
89 1HA GLY 13 HA1 GLY 13 10.435 5.071 6.038
90 2HA GLY 13 HA2 GLY 13 11.189 4.746 4.466
91 H CYS 14 H CYS 14 7.975 3.481 5.361
92 HA CYS 14 HA CYS 14 6.550 5.669 4.070
93 1HB CYS 14 HB2 CYS 14 7.492 4.369 2.123
94 2HB CYS 14 HB1 CYS 14 6.576 2.955 2.699
95 H GLY 15 H GLY 15 4.404 5.681 4.685
96 1HA GLY 15 HA1 GLY 15 3.133 3.234 5.673
97 2HA GLY 15 HA2 GLY 15 3.447 4.475 6.906
98 H GLN 16 H GLN 16 2.336 4.498 3.456
99 HA GLN 16 HA GLN 16 0.501 6.682 4.013
100 1HB GLN 16 HB1 GLN 16 1.161 4.984 1.589
101 2HB GLN 16 HB2 GLN 16 -0.175 6.159 1.576
102 1HG GLN 16 HG2 GLN 16 1.333 7.983 2.119
103 2HG GLN 16 HG1 GLN 16 2.681 6.856 2.382
104 HE2 GLN 16 HE22 GLN 16 0.203 7.298 -0.222
105 HE2 GLN 16 HE21 GLN 16 1.358 7.355 -1.535
106 H ARG 17 H ARG 17 -1.797 6.573 3.529
107 HA ARG 17 HA ARG 17 -3.014 3.923 4.164
108 1HB ARG 17 H ARG 17 -2.955 5.575 6.096
109 2HB ARG 17 H ARG 17 -4.017 6.628 5.140
110 1HG ARG 17 H ARG 17 -4.896 3.784 5.339
111 2HG ARG 17 H ARG 17 -4.886 4.671 6.877
112 1HD ARG 17 H ARG 17 -6.281 6.449 5.893
113 2HD ARG 17 H ARG 17 -6.273 5.611 4.324
114 HE ARG 17 H ARG 17 -7.207 3.860 6.404
115 1HH1 ARG 17 H ARG 17 -8.195 6.670 4.478
116 2HH1 ARG 17 H ARG 17 -9.902 6.258 4.520
117 1HH2 ARG 17 H ARG 17 -9.454 3.313 6.391
118 2HH2 ARG 17 H ARG 17 -10.608 4.385 5.618
119 H PHE 18 H PHE 18 -5.074 3.570 3.237
120 HA PHE 18 HA PHE 18 -5.897 5.514 1.142
121 1HB PHE 18 HB2 PHE 18 -5.476 2.537 0.684
122 2HB PHE 18 HB1 PHE 18 -6.008 3.732 -0.515
123 HD1 PHE 18 HD2 PHE 18 -3.141 2.572 1.534
124 HD2 PHE 18 HD1 PHE 18 -4.424 5.212 -1.611
125 HE1 PHE 18 HE2 PHE 18 -0.773 3.049 0.976
126 HE2 PHE 18 HE1 PHE 18 -2.050 5.690 -2.171
127 HZ PHE 18 HZ PHE 18 -0.229 4.612 -0.867
128 H THR 19 H THR 19 -8.002 4.779 0.142
129 HA THR 19 HA THR 19 -9.825 3.864 2.295
130 HB THR 19 HB THR 19 -10.261 6.070 1.250
131 HG1 THR 19 HG1 THR 19 -12.078 3.974 0.662
132 1HG2 THR 19 HG23 THR 19 -10.564 4.441 -1.317
133 2HG2 THR 19 HG22 THR 19 -11.013 6.150 -1.128
134 3HG2 THR 19 HG21 THR 19 -9.312 5.661 -0.985
135 H ASN 20 H ASN 20 -8.042 2.429 -0.068
136 HA ASN 20 HA ASN 20 -9.987 0.238 -0.407
137 1HB ASN 20 HB2 ASN 20 -9.065 2.095 -2.566
138 2HB ASN 20 HB1 ASN 20 -9.040 0.366 -2.952
139 1HD2 ASN 20 HD21 ASN 20 -12.541 -0.024 -3.150
140 2HD2 ASN 20 HD22 ASN 20 -10.955 -0.780 -3.221
141 H GLU 21 H GLU 21 -8.961 -1.721 -0.379
142 HA GLU 21 HA GLU 21 -6.145 -1.865 0.119
143 1HB GLU 21 H GLU 21 -6.494 -4.355 -0.222
144 2HB GLU 21 H GLU 21 -7.511 -3.611 1.018
145 1HG GLU 21 H GLU 21 -9.352 -3.424 -0.741
146 2HG GLU 21 H GLU 21 -8.325 -4.407 -1.803
147 H ASP 22 H ASP 22 -8.091 -1.745 -2.772
148 HA ASP 22 HA ASP 22 -6.371 -2.952 -4.658
149 1HB ASP 22 H ASP 22 -8.044 -0.440 -5.044
150 2HB ASP 22 H ASP 22 -7.584 -1.630 -6.279
151 H HIS 23 H HIS 23 -6.507 0.403 -3.370
152 HA HIS 23 HA HIS 23 -4.313 1.377 -4.949
153 1HB HIS 23 HB2 HIS 23 -5.403 2.389 -2.298
154 2HB HIS 23 HB1 HIS 23 -4.401 3.300 -3.441
155 HD1 HIS 23 HD1 HIS 23 -7.189 4.392 -2.615
156 HD2 HIS 23 HD2 HIS 23 -6.532 1.986 -5.978
157 HE1 HIS 23 HE1 HIS 23 -9.097 4.803 -4.245
158 H LEU 24 H LEU 24 -4.658 -0.188 -1.778
159 HA LEU 24 HA LEU 24 -1.970 0.277 -0.894
160 1HB LEU 24 HB2 LEU 24 -4.094 -0.525 0.406
161 2HB LEU 24 HB1 LEU 24 -3.617 -2.144 -0.147
162 HG LEU 24 HG LEU 24 -1.214 -1.412 0.774
163 1HD1 LEU 24 HD11 LEU 24 -3.176 0.453 2.135
164 2HD1 LEU 24 HD13 LEU 24 -1.635 -0.009 2.877
165 3HD1 LEU 24 HD12 LEU 24 -1.646 0.856 1.328
166 1HD2 LEU 24 HD21 LEU 24 -3.556 -2.114 2.610
167 2HD2 LEU 24 HD22 LEU 24 -2.605 -3.278 1.655
168 3HD2 LEU 24 HD23 LEU 24 -1.834 -2.369 2.976
169 H ALA 25 H ALA 25 -3.513 -2.134 -3.009
170 HA ALA 25 HA ALA 25 -1.420 -4.068 -2.964
171 1HB ALA 25 HB3 ALA 25 -3.746 -4.443 -3.810
172 2HB ALA 25 HB2 ALA 25 -3.367 -3.422 -5.216
173 3HB ALA 25 HB1 ALA 25 -2.491 -4.948 -4.966
174 H VAL 26 H VAL 26 -2.168 -1.510 -5.441
175 HA VAL 26 HA VAL 26 0.211 -1.952 -6.938
176 HB VAL 26 HB VAL 26 -0.243 0.289 -7.920
177 1HG1 VAL 26 HG13 VAL 26 -1.468 -1.754 -8.670
178 2HG1 VAL 26 HG12 VAL 26 -2.760 -1.384 -7.503
179 3HG1 VAL 26 HG11 VAL 26 -2.438 -0.273 -8.855
180 1HG2 VAL 26 HG22 VAL 26 -2.422 0.427 -5.790
181 2HG2 VAL 26 HG23 VAL 26 -1.004 1.494 -5.904
182 3HG2 VAL 26 HG21 VAL 26 -2.261 1.542 -7.158
183 H HIS 27 H HIS 27 -0.511 0.192 -4.176
184 HA HIS 27 HA HIS 27 1.914 1.667 -4.184
185 1HB HIS 27 HB2 HIS 27 -0.061 2.335 -2.935
186 2HB HIS 27 HB1 HIS 27 -0.004 0.841 -1.980
187 HD1 HIS 27 HD1 HIS 27 2.038 4.042 -2.533
188 HD2 HIS 27 HD2 HIS 27 1.505 0.992 0.276
189 HE1 HIS 27 HE1 HIS 27 3.344 4.680 -0.448
190 H LYS 28 H LYS 28 0.952 -1.305 -2.400
191 HA LYS 28 HA LYS 28 3.453 -1.626 -1.075
192 1HB LYS 28 H LYS 28 1.320 -2.607 -0.295
193 2HB LYS 28 H LYS 28 1.269 -3.646 -1.736
194 1HG LYS 28 H LYS 28 2.132 -4.879 0.217
195 2HG LYS 28 H LYS 28 3.384 -4.730 -1.035
196 1HD LYS 28 H LYS 28 4.512 -2.983 0.181
197 2HD LYS 28 H LYS 28 3.143 -2.788 1.302
198 1HE LYS 28 H LYS 28 3.539 -4.992 2.256
199 2HE LYS 28 H LYS 28 4.759 -5.361 1.017
200 1HZ LYS 28 H LYS 28 6.077 -3.552 1.919
201 2HZ LYS 28 H LYS 28 4.968 -3.313 3.121
202 3HZ LYS 28 H LYS 28 5.804 -4.736 3.033
203 H HIS 29 H HIS 29 2.132 -2.823 -4.180
204 HA HIS 29 HA HIS 29 4.230 -4.667 -4.733
205 1HB HIS 29 HB2 HIS 29 2.048 -4.611 -5.903
206 2HB HIS 29 HB1 HIS 29 2.500 -3.069 -6.654
207 HD1 HIS 29 HD1 HIS 29 4.523 -6.353 -6.278
208 HD2 HIS 29 HD2 HIS 29 3.121 -3.733 -9.243
209 HE1 HIS 29 HE1 HIS 29 5.418 -7.160 -8.520
210 H LYS 30 H LYS 30 3.915 -1.136 -5.162
211 HA LYS 30 HA LYS 30 6.199 -0.803 -6.856
212 1HB LYS 30 H LYS 30 4.338 0.879 -6.340
213 2HB LYS 30 H LYS 30 5.155 1.182 -4.790
214 1HG LYS 30 H LYS 30 6.919 1.252 -7.191
215 2HG LYS 30 H LYS 30 5.694 2.538 -7.114
216 1HD LYS 30 H LYS 30 6.498 3.316 -4.988
217 2HD LYS 30 H LYS 30 7.500 1.864 -4.757
218 1HE LYS 30 H LYS 30 8.946 3.697 -5.433
219 2HE LYS 30 H LYS 30 8.852 2.524 -6.762
220 1HZ LYS 30 H LYS 30 7.112 3.965 -7.717
221 2HZ LYS 30 H LYS 30 7.448 5.092 -6.557
222 3HZ LYS 30 H LYS 30 8.609 4.663 -7.650
223 H HIS 31 H HIS 31 5.765 -0.977 -3.297
224 HA HIS 31 HA HIS 31 8.516 -0.363 -2.664
225 1HB HIS 31 HB2 HIS 31 6.312 -1.800 -1.134
226 2HB HIS 31 HB1 HIS 31 7.888 -1.378 -0.446
227 HD1 HIS 31 HD1 HIS 31 8.343 1.474 -1.307
228 HD2 HIS 31 HD2 HIS 31 4.573 0.076 -0.108
229 HE1 HIS 31 HE1 HIS 31 6.978 3.481 -0.555
230 H GLU 32 H GLU 32 6.614 -3.356 -3.134
231 HA GLU 32 HA GLU 32 8.607 -5.252 -2.486
232 1HB GLU 32 H GLU 32 6.180 -5.712 -2.838
233 2HB GLU 32 H GLU 32 6.383 -5.380 -4.571
234 1HG GLU 32 H GLU 32 8.041 -7.241 -4.708
235 2HG GLU 32 H GLU 32 7.752 -7.595 -2.991
236 H MET 33 H MET 33 7.808 -3.599 -5.566
237 HA MET 33 HA MET 33 9.734 -4.964 -7.169
238 1HB MET 33 HB1 MET 33 7.805 -3.795 -8.116
239 2HB MET 33 HB2 MET 33 8.379 -2.245 -7.460
240 1HG MET 33 HG1 MET 33 10.222 -2.169 -8.926
241 2HG MET 33 HG2 MET 33 10.118 -3.897 -9.298
242 1HE MET 33 HE1 MET 33 10.601 -1.683 -11.467
243 2HE MET 33 HE2 MET 33 10.463 -3.418 -11.838
244 3HE MET 33 HE3 MET 33 9.516 -2.232 -12.765
245 H THR 34 H THR 34 11.828 -4.403 -7.774
246 HA THR 34 HA THR 34 13.350 -2.915 -5.812
247 HB THR 34 HB THR 34 15.223 -3.480 -7.521
248 HG1 THR 34 HG1 THR 34 14.605 -5.056 -9.021
249 1HG2 THR 34 HG21 THR 34 13.525 -5.706 -6.301
250 2HG2 THR 34 HG23 THR 34 15.227 -5.854 -6.801
251 3HG2 THR 34 HG22 THR 34 14.786 -4.776 -5.456
252 H LEU 35 H LEU 35 12.191 -0.863 -6.081
253 HA LEU 35 HA LEU 35 12.201 1.324 -6.674
254 1HB LEU 35 HB1 LEU 35 14.727 0.399 -8.005
255 2HB LEU 35 HB2 LEU 35 14.040 1.946 -8.530
256 HG LEU 35 HG LEU 35 13.959 2.683 -6.135
257 1HD1 LEU 35 HD13 LEU 35 15.372 0.011 -5.711
258 2HD1 LEU 35 HD11 LEU 35 15.364 1.327 -4.513
259 3HD1 LEU 35 HD12 LEU 35 13.837 0.548 -4.984
260 1HD2 LEU 35 HD23 LEU 35 15.880 3.251 -7.595
261 2HD2 LEU 35 HD21 LEU 35 16.399 3.017 -5.910
262 3HD2 LEU 35 HD22 LEU 35 16.690 1.741 -7.115
263 H LYS 36 H LYS 36 10.947 2.515 -8.012
264 HA LYS 36 HA LYS 36 10.497 1.587 -10.765
265 1HB LYS 36 H LYS 36 8.861 0.564 -8.870
266 2HB LYS 36 H LYS 36 8.034 2.114 -9.130
267 1HG LYS 36 H LYS 36 8.804 0.191 -11.375
268 2HG LYS 36 H LYS 36 7.210 0.217 -10.591
269 1HD LYS 36 H LYS 36 7.324 2.815 -11.190
270 2HD LYS 36 H LYS 36 8.480 2.252 -12.418
271 1HE LYS 36 H LYS 36 6.362 2.205 -13.498
272 2HE LYS 36 H LYS 36 6.701 0.512 -13.074
273 1HZ LYS 36 H LYS 36 5.009 2.364 -11.528
274 2HZ LYS 36 H LYS 36 4.466 1.159 -12.520
275 3HZ LYS 36 H LYS 36 5.306 0.783 -11.154
276 H PHE 37 H PHE 37 10.294 3.323 -12.095
277 HA PHE 37 HA PHE 37 10.348 6.007 -10.939
278 1HB PHE 37 HB2 PHE 37 10.400 6.614 -13.448
279 2HB PHE 37 HB1 PHE 37 11.778 5.730 -12.779
280 HD1 PHE 37 HD1 PHE 37 12.200 3.381 -13.365
281 HD2 PHE 37 HD2 PHE 37 8.880 5.544 -15.065
282 HE1 PHE 37 HE1 PHE 37 11.931 1.618 -15.093
283 HE2 PHE 37 HE2 PHE 37 8.616 3.777 -16.789
284 HZ PHE 37 HZ PHE 37 10.139 1.815 -16.803
285 H GLY 38 H GLY 38 8.036 4.979 -10.055
286 1HA GLY 38 HA2 GLY 38 6.006 6.624 -10.401
287 2HA GLY 38 HA1 GLY 38 5.853 5.702 -11.917
No H/Q in entry = 287
Start of MODEL 3
1 1H MET 1 H3 MET 1 -7.488 -3.810 8.997
2 2H MET 1 H2 MET 1 -6.136 -2.899 8.736
3 3H MET 1 H1 MET 1 -7.628 -2.201 8.647
4 HA MET 1 HA MET 1 -6.794 -2.498 6.463
5 1HB MET 1 HB2 MET 1 -6.518 -5.395 7.359
6 2HB MET 1 HB1 MET 1 -6.451 -4.877 5.656
7 1HG MET 1 HG1 MET 1 -4.589 -3.319 6.244
8 2HG MET 1 HG2 MET 1 -4.613 -3.950 7.898
9 1HE MET 1 HE3 MET 1 -2.028 -4.368 7.717
10 2HE MET 1 HE1 MET 1 -1.260 -5.323 6.426
11 3HE MET 1 HE2 MET 1 -2.036 -3.768 6.041
12 H SER 2 H SER 2 -8.286 -5.596 6.325
13 HA SER 2 HA SER 2 -10.669 -4.640 5.114
14 1HB SER 2 HB1 SER 2 -11.481 -7.013 5.672
15 2HB SER 2 HB2 SER 2 -9.990 -6.899 4.708
16 HG SER 2 HG SER 2 -9.822 -8.368 6.481
17 H ASP 3 H ASP 3 -9.794 -5.507 8.441
18 HA ASP 3 HA ASP 3 -12.145 -3.989 9.424
19 1HB ASP 3 H ASP 3 -12.678 -6.416 9.555
20 2HB ASP 3 H ASP 3 -11.180 -6.690 10.471
21 H ASP 4 H ASP 4 -11.773 -3.221 11.659
22 HA ASP 4 HA ASP 4 -10.524 -2.030 13.151
23 1HB ASP 4 H ASP 4 -9.906 -4.268 13.927
24 2HB ASP 4 H ASP 4 -8.574 -4.333 12.754
25 H LYS 5 H LYS 5 -10.103 -0.129 12.100
26 HA LYS 5 HA LYS 5 -8.788 1.554 11.306
27 1HB LYS 5 H LYS 5 -6.434 -0.380 11.379
28 2HB LYS 5 H LYS 5 -6.375 1.388 11.388
29 1HG LYS 5 H LYS 5 -7.421 1.480 13.588
30 2HG LYS 5 H LYS 5 -7.678 -0.277 13.582
31 1HD LYS 5 H LYS 5 -5.196 -0.605 13.422
32 2HD LYS 5 H LYS 5 -4.989 1.157 13.563
33 1HE LYS 5 H LYS 5 -4.689 0.191 15.765
34 2HE LYS 5 H LYS 5 -6.239 1.059 15.757
35 1HZ LYS 5 H LYS 5 -5.990 -1.836 15.293
36 2HZ LYS 5 H LYS 5 -6.293 -1.164 16.771
37 3HZ LYS 5 H LYS 5 -7.379 -0.977 15.542
38 HA PRO 6 HA PRO 6 -8.857 0.938 6.943
39 1HB PRO 6 HB2 PRO 6 -6.929 2.933 6.237
40 2HB PRO 6 HB1 PRO 6 -8.703 3.109 6.298
41 1HG PRO 6 HG1 PRO 6 -6.701 4.179 8.131
42 2HG PRO 6 HG2 PRO 6 -8.461 4.473 8.107
43 1HD PRO 6 HD1 PRO 6 -6.955 2.833 9.940
44 2HD PRO 6 HD2 PRO 6 -8.721 3.105 9.898
45 H PHE 7 H PHE 7 -6.978 1.096 4.979
46 HA PHE 7 HA PHE 7 -5.201 -1.142 5.665
47 1HB PHE 7 HB2 PHE 7 -5.725 0.281 3.031
48 2HB PHE 7 HB1 PHE 7 -4.818 -1.225 3.243
49 HD1 PHE 7 HD2 PHE 7 -8.180 0.326 3.298
50 HD2 PHE 7 HD1 PHE 7 -5.947 -3.341 3.642
51 HE1 PHE 7 HE2 PHE 7 -10.280 -0.977 3.051
52 HE2 PHE 7 HE1 PHE 7 -8.048 -4.641 3.397
53 HZ PHE 7 HZ PHE 7 -10.213 -3.458 3.095
54 H LEU 8 H LEU 8 -3.319 -0.615 6.629
55 HA LEU 8 HA LEU 8 -1.897 1.856 5.814
56 1HB LEU 8 HB2 LEU 8 -2.335 0.654 8.276
57 2HB LEU 8 HB1 LEU 8 -0.693 0.109 7.880
58 HG LEU 8 HG LEU 8 -1.620 3.018 7.765
59 1HD1 LEU 8 HD12 LEU 8 -1.663 2.134 10.078
60 2HD1 LEU 8 HD13 LEU 8 0.007 1.547 9.886
61 3HD1 LEU 8 HD11 LEU 8 -0.331 3.295 9.860
62 1HD2 LEU 8 HD21 LEU 8 1.117 1.682 7.569
63 2HD2 LEU 8 HD23 LEU 8 0.282 2.604 6.299
64 3HD2 LEU 8 HD22 LEU 8 0.871 3.434 7.753
65 H CYS 9 H CYS 9 -0.207 1.771 4.411
66 HA CYS 9 HA CYS 9 0.379 -0.626 2.991
67 1HB CYS 9 HB2 CYS 9 0.616 1.584 1.993
68 2HB CYS 9 HB1 CYS 9 1.889 2.007 3.163
69 H THR 10 H THR 10 2.066 0.966 5.724
70 HA THR 10 HA THR 10 4.018 0.423 6.823
71 HB THR 10 HB THR 10 4.070 -1.946 7.639
72 HG1 THR 10 HG1 THR 10 3.153 -2.763 5.614
73 1HG2 THR 10 HG22 THR 10 2.643 -0.184 8.700
74 2HG2 THR 10 HG21 THR 10 1.297 -0.692 7.655
75 3HG2 THR 10 HG23 THR 10 1.958 -1.819 8.859
76 H ALA 11 H ALA 11 5.097 1.090 4.685
77 HA ALA 11 HA ALA 11 6.471 -1.198 3.374
78 1HB ALA 11 HB2 ALA 11 5.342 1.197 2.409
79 2HB ALA 11 HB1 ALA 11 7.098 1.455 2.337
80 3HB ALA 11 HB3 ALA 11 6.367 0.061 1.510
81 HA PRO 12 HA PRO 12 10.361 -0.528 5.236
82 1HB PRO 12 HB1 PRO 12 11.866 0.471 2.934
83 2HB PRO 12 HB2 PRO 12 11.965 -1.119 3.741
84 1HG PRO 12 HG1 PRO 12 10.782 -0.544 1.199
85 2HG PRO 12 HG2 PRO 12 10.712 -2.087 2.096
86 1HD PRO 12 HD1 PRO 12 8.603 -0.121 1.680
87 2HD PRO 12 HD2 PRO 12 8.490 -1.734 2.440
88 H GLY 13 H GLY 13 10.011 2.121 2.792
89 1HA GLY 13 HA1 GLY 13 10.823 4.071 4.911
90 2HA GLY 13 HA2 GLY 13 11.059 4.291 3.164
91 H CYS 14 H CYS 14 8.359 3.182 2.515
92 HA CYS 14 HA CYS 14 6.861 5.691 2.983
93 1HB CYS 14 HB2 CYS 14 7.208 4.596 0.688
94 2HB CYS 14 HB1 CYS 14 6.078 3.333 1.238
95 H GLY 15 H GLY 15 4.607 5.652 3.703
96 1HA GLY 15 HA2 GLY 15 3.542 3.165 4.816
97 2HA GLY 15 HA1 GLY 15 4.024 4.374 6.027
98 H GLN 16 H GLN 16 2.426 4.572 2.774
99 HA GLN 16 HA GLN 16 0.603 6.619 3.756
100 1HB GLN 16 HB1 GLN 16 0.920 5.126 1.129
101 2HB GLN 16 HB2 GLN 16 -0.390 6.295 1.414
102 1HG GLN 16 HG1 GLN 16 1.253 8.050 1.937
103 2HG GLN 16 HG2 GLN 16 2.583 6.894 1.726
104 HE2 GLN 16 HE22 GLN 16 2.608 8.589 -1.482
105 HE2 GLN 16 HE21 GLN 16 3.156 8.781 0.168
106 H ARG 17 H ARG 17 -1.786 6.368 3.327
107 HA ARG 17 HA ARG 17 -2.755 3.644 4.060
108 1HB ARG 17 H ARG 17 -2.691 5.018 6.081
109 2HB ARG 17 H ARG 17 -3.537 6.338 5.249
110 1HG ARG 17 H ARG 17 -4.914 3.686 5.189
111 2HG ARG 17 H ARG 17 -4.787 4.446 6.787
112 1HD ARG 17 H ARG 17 -5.813 5.929 4.332
113 2HD ARG 17 H ARG 17 -6.875 5.048 5.444
114 HE ARG 17 H ARG 17 -5.236 6.802 6.966
115 1HH1 ARG 17 H ARG 17 -7.868 6.878 4.595
116 2HH1 ARG 17 H ARG 17 -8.533 8.385 5.179
117 1HH2 ARG 17 H ARG 17 -6.112 8.801 7.724
118 2HH2 ARG 17 H ARG 17 -7.530 9.484 6.961
119 H PHE 18 H PHE 18 -4.788 3.100 3.224
120 HA PHE 18 HA PHE 18 -6.073 5.073 1.408
121 1HB PHE 18 HB2 PHE 18 -5.422 2.214 0.606
122 2HB PHE 18 HB1 PHE 18 -6.160 3.470 -0.400
123 HD1 PHE 18 HD2 PHE 18 -3.020 2.455 1.329
124 HD2 PHE 18 HD1 PHE 18 -4.808 5.051 -1.599
125 HE1 PHE 18 HE2 PHE 18 -0.764 3.141 0.565
126 HE2 PHE 18 HE1 PHE 18 -2.545 5.738 -2.366
127 HZ PHE 18 HZ PHE 18 -0.526 4.782 -1.280
128 H THR 19 H THR 19 -8.284 4.614 0.981
129 HA THR 19 HA THR 19 -9.616 3.159 3.136
130 HB THR 19 HB THR 19 -10.821 4.487 0.671
131 HG1 THR 19 HG1 THR 19 -10.950 6.317 2.042
132 1HG2 THR 19 HG22 THR 19 -11.871 3.867 3.470
133 2HG2 THR 19 HG23 THR 19 -12.751 4.807 2.241
134 3HG2 THR 19 HG21 THR 19 -12.382 3.091 1.952
135 H ASN 20 H ASN 20 -8.636 2.638 -0.194
136 HA ASN 20 HA ASN 20 -10.178 0.085 -0.297
137 1HB ASN 20 HB2 ASN 20 -9.387 2.153 -2.315
138 2HB ASN 20 HB1 ASN 20 -9.326 0.459 -2.835
139 1HD2 ASN 20 HD22 ASN 20 -12.802 0.040 -3.087
140 2HD2 ASN 20 HD21 ASN 20 -11.195 -0.646 -3.281
141 H GLU 21 H GLU 21 -9.049 -1.791 -0.364
142 HA GLU 21 HA GLU 21 -6.227 -1.767 0.098
143 1HB GLU 21 H GLU 21 -8.007 -3.535 0.753
144 2HB GLU 21 H GLU 21 -7.827 -4.143 -0.908
145 1HG GLU 21 H GLU 21 -5.491 -4.615 -0.573
146 2HG GLU 21 H GLU 21 -5.458 -3.709 0.954
147 H ASP 22 H ASP 22 -8.222 -1.690 -2.761
148 HA ASP 22 HA ASP 22 -6.556 -2.855 -4.700
149 1HB ASP 22 H ASP 22 -8.238 -0.339 -5.021
150 2HB ASP 22 H ASP 22 -7.817 -1.525 -6.276
151 H HIS 23 H HIS 23 -6.706 0.573 -3.579
152 HA HIS 23 HA HIS 23 -4.522 1.446 -5.206
153 1HB HIS 23 HB2 HIS 23 -5.520 2.647 -2.598
154 2HB HIS 23 HB1 HIS 23 -4.643 3.480 -3.892
155 HD1 HIS 23 HD1 HIS 23 -6.486 2.070 -6.224
156 HD2 HIS 23 HD2 HIS 23 -7.798 4.293 -2.927
157 HE1 HIS 23 HE1 HIS 23 -8.794 2.986 -6.778
158 H LEU 24 H LEU 24 -4.790 0.171 -1.888
159 HA LEU 24 HA LEU 24 -2.100 0.732 -1.107
160 1HB LEU 24 HB2 LEU 24 -3.991 0.112 0.415
161 2HB LEU 24 HB1 LEU 24 -3.911 -1.544 -0.219
162 HG LEU 24 HG LEU 24 -1.230 -0.840 0.479
163 1HD1 LEU 24 HD13 LEU 24 -3.304 0.231 2.367
164 2HD1 LEU 24 HD12 LEU 24 -1.872 -0.555 3.049
165 3HD1 LEU 24 HD11 LEU 24 -1.685 0.851 1.981
166 1HD2 LEU 24 HD21 LEU 24 -2.286 -3.090 0.568
167 2HD2 LEU 24 HD23 LEU 24 -1.516 -2.667 2.115
168 3HD2 LEU 24 HD22 LEU 24 -3.284 -2.560 1.943
169 H ALA 25 H ALA 25 -3.618 -1.932 -2.935
170 HA ALA 25 HA ALA 25 -1.456 -3.771 -2.787
171 1HB ALA 25 HB2 ALA 25 -3.760 -4.332 -3.526
172 2HB ALA 25 HB3 ALA 25 -3.525 -3.353 -4.994
173 3HB ALA 25 HB1 ALA 25 -2.549 -4.817 -4.735
174 H VAL 26 H VAL 26 -2.309 -1.419 -5.437
175 HA VAL 26 HA VAL 26 0.023 -2.011 -6.972
176 HB VAL 26 HB VAL 26 -0.476 0.134 -8.145
177 1HG1 VAL 26 HG12 VAL 26 -1.671 -1.985 -8.690
178 2HG1 VAL 26 HG13 VAL 26 -2.943 -1.550 -7.524
179 3HG1 VAL 26 HG11 VAL 26 -2.683 -0.549 -8.973
180 1HG2 VAL 26 HG22 VAL 26 -2.643 0.421 -6.017
181 2HG2 VAL 26 HG23 VAL 26 -1.228 1.482 -6.204
182 3HG2 VAL 26 HG21 VAL 26 -2.478 1.432 -7.464
183 H HIS 27 H HIS 27 -0.614 0.411 -4.417
184 HA HIS 27 HA HIS 27 1.802 1.876 -4.679
185 1HB HIS 27 HB2 HIS 27 -0.254 2.562 -3.452
186 2HB HIS 27 HB1 HIS 27 0.053 1.286 -2.256
187 HD1 HIS 27 HD1 HIS 27 1.958 4.338 -3.681
188 HD2 HIS 27 HD2 HIS 27 1.395 2.201 -0.145
189 HE1 HIS 27 HE1 HIS 27 3.253 5.540 -1.849
190 H LYS 28 H LYS 28 0.851 -0.779 -2.491
191 HA LYS 28 HA LYS 28 3.345 -1.022 -1.160
192 1HB LYS 28 H LYS 28 1.161 -1.792 -0.293
193 2HB LYS 28 H LYS 28 1.081 -3.023 -1.574
194 1HG LYS 28 H LYS 28 2.630 -4.364 -0.571
195 2HG LYS 28 H LYS 28 3.569 -2.987 0.050
196 1HD LYS 28 H LYS 28 1.747 -2.563 1.728
197 2HD LYS 28 H LYS 28 0.936 -4.039 1.160
198 1HE LYS 28 H LYS 28 2.242 -4.604 3.134
199 2HE LYS 28 H LYS 28 3.024 -5.339 1.718
200 1HZ LYS 28 H LYS 28 4.554 -3.482 1.694
201 2HZ LYS 28 H LYS 28 3.836 -2.839 3.043
202 3HZ LYS 28 H LYS 28 4.618 -4.293 3.130
203 H HIS 29 H HIS 29 1.949 -2.640 -4.030
204 HA HIS 29 HA HIS 29 3.768 -4.722 -4.370
205 1HB HIS 29 HB2 HIS 29 1.842 -4.585 -5.762
206 2HB HIS 29 HB1 HIS 29 2.263 -2.959 -6.322
207 HD1 HIS 29 HD1 HIS 29 4.154 -6.332 -6.372
208 HD2 HIS 29 HD2 HIS 29 3.113 -3.160 -8.899
209 HE1 HIS 29 HE1 HIS 29 5.133 -6.818 -8.669
210 H LYS 30 H LYS 30 4.016 -1.348 -5.669
211 HA LYS 30 HA LYS 30 6.547 -1.755 -6.905
212 1HB LYS 30 H LYS 30 5.176 0.758 -5.868
213 2HB LYS 30 H LYS 30 6.658 0.757 -6.852
214 1HG LYS 30 H LYS 30 5.275 -0.753 -8.499
215 2HG LYS 30 H LYS 30 3.862 -0.124 -7.622
216 1HD LYS 30 H LYS 30 4.086 1.437 -9.355
217 2HD LYS 30 H LYS 30 4.988 2.225 -8.039
218 1HE LYS 30 H LYS 30 7.107 1.260 -8.947
219 2HE LYS 30 H LYS 30 6.186 0.521 -10.274
220 1HZ LYS 30 H LYS 30 5.536 2.713 -10.958
221 2HZ LYS 30 H LYS 30 6.396 3.398 -9.728
222 3HZ LYS 30 H LYS 30 7.180 2.580 -10.926
223 H HIS 31 H HIS 31 5.667 -0.924 -3.539
224 HA HIS 31 HA HIS 31 8.334 -0.086 -2.801
225 1HB HIS 31 HB2 HIS 31 5.905 -0.968 -1.210
226 2HB HIS 31 HB1 HIS 31 7.422 -0.441 -0.462
227 HD1 HIS 31 HD1 HIS 31 8.158 1.990 -2.207
228 HD2 HIS 31 HD2 HIS 31 4.284 1.222 -0.809
229 HE1 HIS 31 HE1 HIS 31 6.896 4.196 -2.185
230 H GLU 32 H GLU 32 6.444 -3.096 -2.160
231 HA GLU 32 HA GLU 32 8.508 -4.482 -0.833
232 1HB GLU 32 H GLU 32 5.871 -5.044 -1.940
233 2HB GLU 32 H GLU 32 6.981 -6.388 -2.277
234 1HG GLU 32 H GLU 32 5.942 -6.797 -0.126
235 2HG GLU 32 H GLU 32 7.646 -6.390 0.149
236 H MET 33 H MET 33 7.806 -4.150 -4.340
237 HA MET 33 HA MET 33 9.825 -6.105 -5.101
238 1HB MET 33 HB1 MET 33 7.979 -4.189 -6.507
239 2HB MET 33 HB2 MET 33 9.385 -4.816 -7.391
240 1HG MET 33 HG2 MET 33 7.397 -6.239 -7.727
241 2HG MET 33 HG1 MET 33 8.712 -7.113 -6.933
242 1HE MET 33 HE3 MET 33 5.950 -8.399 -7.055
243 2HE MET 33 HE1 MET 33 7.303 -9.087 -6.124
244 3HE MET 33 HE2 MET 33 5.695 -8.929 -5.377
245 H THR 34 H THR 34 9.569 -2.513 -5.477
246 HA THR 34 HA THR 34 11.176 -0.945 -5.954
247 HB THR 34 HB THR 34 13.263 -1.361 -4.254
248 HG1 THR 34 HG1 THR 34 11.061 -2.693 -3.061
249 1HG2 THR 34 HG23 THR 34 10.437 -0.420 -3.651
250 2HG2 THR 34 HG21 THR 34 11.809 -0.185 -2.544
251 3HG2 THR 34 HG22 THR 34 11.825 0.567 -4.157
252 H LEU 35 H LEU 35 11.429 -2.029 -8.111
253 HA LEU 35 HA LEU 35 12.819 -2.551 -9.842
254 1HB LEU 35 HB1 LEU 35 14.322 -0.918 -8.314
255 2HB LEU 35 HB2 LEU 35 15.317 -2.382 -8.177
256 HG LEU 35 HG LEU 35 14.360 -1.168 -10.815
257 1HD1 LEU 35 HD11 LEU 35 15.953 0.313 -9.633
258 2HD1 LEU 35 HD12 LEU 35 17.086 -1.048 -9.450
259 3HD1 LEU 35 HD13 LEU 35 16.705 -0.418 -11.070
260 1HD2 LEU 35 HD22 LEU 35 16.331 -3.400 -10.145
261 2HD2 LEU 35 HD21 LEU 35 14.787 -3.564 -11.016
262 3HD2 LEU 35 HD23 LEU 35 16.138 -2.682 -11.760
263 H LYS 36 H LYS 36 11.647 -4.647 -9.169
264 HA LYS 36 HA LYS 36 13.647 -6.796 -9.263
265 1HB LYS 36 H LYS 36 13.204 -6.423 -6.815
266 2HB LYS 36 H LYS 36 11.480 -6.747 -7.112
267 1HG LYS 36 H LYS 36 12.037 -9.003 -7.951
268 2HG LYS 36 H LYS 36 13.770 -8.676 -7.708
269 1HD LYS 36 H LYS 36 13.300 -8.284 -5.265
270 2HD LYS 36 H LYS 36 11.613 -8.774 -5.547
271 1HE LYS 36 H LYS 36 14.061 -10.503 -6.130
272 2HE LYS 36 H LYS 36 13.043 -10.641 -4.681
273 1HZ LYS 36 H LYS 36 11.187 -11.118 -6.131
274 2HZ LYS 36 H LYS 36 12.167 -11.047 -7.456
275 3HZ LYS 36 H LYS 36 12.398 -12.221 -6.320
276 H PHE 37 H PHE 37 10.176 -5.985 -8.866
277 HA PHE 37 HA PHE 37 9.546 -7.208 -11.443
278 1HB PHE 37 HB1 PHE 37 9.536 -9.050 -9.609
279 2HB PHE 37 HB2 PHE 37 8.093 -8.236 -8.988
280 HD1 PHE 37 HD2 PHE 37 9.510 -9.677 -12.160
281 HD2 PHE 37 HD1 PHE 37 5.982 -8.839 -9.834
282 HE1 PHE 37 HE2 PHE 37 8.124 -10.915 -13.811
283 HE2 PHE 37 HE1 PHE 37 4.600 -10.076 -11.485
284 HZ PHE 37 HZ PHE 37 5.670 -11.115 -13.473
285 H GLY 38 H GLY 38 9.560 -4.571 -10.008
286 1HA GLY 38 HA1 GLY 38 7.318 -3.339 -11.019
287 2HA GLY 38 HA2 GLY 38 6.833 -3.864 -9.388
No H/Q in entry = 287
Start of MODEL 4
1 1H MET 1 H1 MET 1 -12.298 7.789 9.066
2 2H MET 1 H2 MET 1 -11.636 9.153 8.407
3 3H MET 1 H3 MET 1 -11.882 9.064 10.037
4 HA MET 1 HA MET 1 -14.223 9.039 9.787
5 1HB MET 1 HB1 MET 1 -12.754 11.255 8.307
6 2HB MET 1 HB2 MET 1 -14.501 11.308 8.645
7 1HG MET 1 HG1 MET 1 -14.035 11.039 11.062
8 2HG MET 1 HG2 MET 1 -12.297 11.002 10.724
9 1HE MET 1 HE1 MET 1 -11.923 12.845 12.545
10 2HE MET 1 HE3 MET 1 -12.778 14.405 12.579
11 3HE MET 1 HE2 MET 1 -13.673 12.895 12.867
12 H SER 2 H SER 2 -13.175 10.263 6.580
13 HA SER 2 HA SER 2 -15.331 8.763 5.287
14 1HB SER 2 HB1 SER 2 -14.273 9.897 3.225
15 2HB SER 2 HB2 SER 2 -14.966 10.971 4.462
16 HG SER 2 HG SER 2 -12.831 11.571 3.752
17 H ASP 3 H ASP 3 -14.047 6.802 6.374
18 HA ASP 3 HA ASP 3 -12.615 5.477 4.186
19 1HB ASP 3 H ASP 3 -10.850 4.837 6.119
20 2HB ASP 3 H ASP 3 -10.626 6.224 5.039
21 H ASP 4 H ASP 4 -14.317 4.013 4.128
22 HA ASP 4 HA ASP 4 -15.424 2.731 6.428
23 1HB ASP 4 H ASP 4 -16.541 2.848 4.224
24 2HB ASP 4 H ASP 4 -15.271 1.823 3.521
25 H LYS 5 H LYS 5 -12.732 1.928 4.206
26 HA LYS 5 HA LYS 5 -11.857 -0.181 6.131
27 1HB LYS 5 H LYS 5 -11.671 -0.278 3.099
28 2HB LYS 5 H LYS 5 -11.125 -1.528 4.237
29 1HG LYS 5 H LYS 5 -13.542 -1.655 5.065
30 2HG LYS 5 H LYS 5 -13.981 -0.645 3.669
31 1HD LYS 5 H LYS 5 -12.457 -3.281 3.444
32 2HD LYS 5 H LYS 5 -14.222 -3.141 3.273
33 1HE LYS 5 H LYS 5 -13.972 -1.636 1.364
34 2HE LYS 5 H LYS 5 -12.211 -1.598 1.573
35 1HZ LYS 5 H LYS 5 -13.787 -3.974 0.890
36 2HZ LYS 5 H LYS 5 -12.853 -3.095 -0.150
37 3HZ LYS 5 H LYS 5 -12.144 -3.929 1.086
38 HA PRO 6 HA PRO 6 -8.499 2.885 5.436
39 1HB PRO 6 HB2 PRO 6 -7.613 2.742 8.108
40 2HB PRO 6 HB1 PRO 6 -8.680 3.993 7.416
41 1HG PRO 6 HG1 PRO 6 -9.354 1.807 9.265
42 2HG PRO 6 HG2 PRO 6 -10.337 3.220 8.787
43 1HD PRO 6 HD2 PRO 6 -10.592 0.483 7.887
44 2HD PRO 6 HD1 PRO 6 -11.561 1.902 7.390
45 H PHE 7 H PHE 7 -6.955 1.753 4.298
46 HA PHE 7 HA PHE 7 -5.655 -0.595 5.612
47 1HB PHE 7 HB2 PHE 7 -5.614 0.370 2.731
48 2HB PHE 7 HB1 PHE 7 -4.832 -1.090 3.350
49 HD1 PHE 7 HD1 PHE 7 -6.260 -2.953 4.301
50 HD2 PHE 7 HD2 PHE 7 -7.890 0.381 2.129
51 HE1 PHE 7 HE1 PHE 7 -8.343 -4.241 3.897
52 HE2 PHE 7 HE2 PHE 7 -9.970 -0.906 1.720
53 HZ PHE 7 HZ PHE 7 -10.198 -3.220 2.597
54 H LEU 8 H LEU 8 -3.994 0.162 6.867
55 HA LEU 8 HA LEU 8 -2.314 2.376 5.849
56 1HB LEU 8 HB2 LEU 8 -3.294 2.110 8.263
57 2HB LEU 8 HB1 LEU 8 -1.978 0.940 8.499
58 HG LEU 8 HG LEU 8 -1.534 3.784 7.473
59 1HD1 LEU 8 HD11 LEU 8 -2.533 3.824 9.741
60 2HD1 LEU 8 HD13 LEU 8 -1.282 2.692 10.310
61 3HD1 LEU 8 HD12 LEU 8 -0.828 4.330 9.777
62 1HD2 LEU 8 HD21 LEU 8 0.260 1.530 8.441
63 2HD2 LEU 8 HD23 LEU 8 0.359 2.456 6.925
64 3HD2 LEU 8 HD22 LEU 8 0.801 3.223 8.463
65 H CYS 9 H CYS 9 -0.656 1.816 4.523
66 HA CYS 9 HA CYS 9 0.413 -0.855 4.391
67 1HB CYS 9 HB2 CYS 9 0.503 0.603 2.451
68 2HB CYS 9 HB1 CYS 9 1.443 1.823 3.350
69 H THR 10 H THR 10 1.162 -1.515 6.437
70 HA THR 10 HA THR 10 2.820 0.037 8.137
71 HB THR 10 HB THR 10 2.847 -2.994 7.849
72 HG1 THR 10 HG1 THR 10 0.997 -1.287 9.167
73 1HG2 THR 10 HG22 THR 10 3.203 -1.099 10.216
74 2HG2 THR 10 HG23 THR 10 3.218 -2.876 10.304
75 3HG2 THR 10 HG21 THR 10 4.496 -2.020 9.411
76 H ALA 11 H ALA 11 4.845 0.763 7.800
77 HA ALA 11 HA ALA 11 6.902 -0.940 6.677
78 1HB ALA 11 HB1 ALA 11 5.552 1.182 5.024
79 2HB ALA 11 HB3 ALA 11 7.314 1.017 4.886
80 3HB ALA 11 HB2 ALA 11 6.263 -0.367 4.521
81 HA PRO 12 HA PRO 12 9.309 1.722 9.207
82 1HB PRO 12 HB2 PRO 12 11.684 1.975 7.741
83 2HB PRO 12 HB1 PRO 12 11.253 0.587 8.781
84 1HG PRO 12 HG2 PRO 12 11.164 0.827 5.799
85 2HG PRO 12 HG1 PRO 12 11.419 -0.624 6.813
86 1HD PRO 12 HD1 PRO 12 9.037 0.040 5.517
87 2HD PRO 12 HD2 PRO 12 9.162 -1.062 6.917
88 H GLY 13 H GLY 13 10.586 2.779 6.007
89 1HA GLY 13 HA2 GLY 13 10.094 5.583 6.744
90 2HA GLY 13 HA1 GLY 13 11.003 4.981 5.341
91 H CYS 14 H CYS 14 7.716 3.951 6.302
92 HA CYS 14 HA CYS 14 6.376 5.686 4.398
93 1HB CYS 14 HB2 CYS 14 7.257 4.226 2.718
94 2HB CYS 14 HB1 CYS 14 6.930 2.782 3.702
95 H GLY 15 H GLY 15 4.181 5.767 4.845
96 1HA GLY 15 HA2 GLY 15 2.878 3.588 6.294
97 2HA GLY 15 HA1 GLY 15 3.135 5.059 7.258
98 H GLN 16 H GLN 16 2.339 4.610 3.757
99 HA GLN 16 HA GLN 16 0.328 6.695 3.950
100 1HB GLN 16 HB2 GLN 16 1.417 4.936 1.739
101 2HB GLN 16 HB1 GLN 16 -0.045 5.915 1.492
102 1HG GLN 16 HG1 GLN 16 1.575 7.421 0.795
103 2HG GLN 16 HG2 GLN 16 1.445 7.863 2.508
104 HE2 GLN 16 HE22 GLN 16 3.557 6.942 -0.001
105 HE2 GLN 16 HE21 GLN 16 4.973 6.606 0.967
106 H ARG 17 H ARG 17 -1.898 6.469 3.657
107 HA ARG 17 HA ARG 17 -2.945 3.715 4.040
108 1HB ARG 17 H ARG 17 -3.004 4.967 6.158
109 2HB ARG 17 H ARG 17 -3.888 6.285 5.365
110 1HG ARG 17 H ARG 17 -5.108 3.590 5.014
111 2HG ARG 17 H ARG 17 -5.074 4.168 6.690
112 1HD ARG 17 H ARG 17 -5.976 6.052 4.511
113 2HD ARG 17 H ARG 17 -7.089 4.791 5.082
114 HE ARG 17 H ARG 17 -5.917 6.193 7.304
115 1HH1 ARG 17 H ARG 17 -8.041 6.914 4.588
116 2HH1 ARG 17 H ARG 17 -9.249 7.734 5.562
117 1HH2 ARG 17 H ARG 17 -7.474 7.373 8.581
118 2HH2 ARG 17 H ARG 17 -8.934 7.981 7.821
119 H PHE 18 H PHE 18 -4.942 3.253 3.067
120 HA PHE 18 HA PHE 18 -6.020 5.329 1.231
121 1HB PHE 18 HB2 PHE 18 -5.522 2.463 0.382
122 2HB PHE 18 HB1 PHE 18 -5.957 3.852 -0.629
123 HD1 PHE 18 HD2 PHE 18 -3.224 2.384 1.455
124 HD2 PHE 18 HD1 PHE 18 -4.267 5.288 -1.549
125 HE1 PHE 18 HE2 PHE 18 -0.817 2.834 1.055
126 HE2 PHE 18 HE1 PHE 18 -1.856 5.735 -1.947
127 HZ PHE 18 HZ PHE 18 -0.133 4.510 -0.636
128 H THR 19 H THR 19 -8.180 4.735 0.395
129 HA THR 19 HA THR 19 -9.804 3.618 2.558
130 HB THR 19 HB THR 19 -11.673 4.343 0.998
131 HG1 THR 19 HG1 THR 19 -11.040 5.535 -0.803
132 1HG2 THR 19 HG22 THR 19 -10.713 5.817 2.778
133 2HG2 THR 19 HG23 THR 19 -9.540 6.444 1.597
134 3HG2 THR 19 HG21 THR 19 -11.280 6.738 1.366
135 H ASN 20 H ASN 20 -8.491 2.569 -0.532
136 HA ASN 20 HA ASN 20 -10.217 0.132 -0.427
137 1HB ASN 20 HB2 ASN 20 -8.959 1.564 -2.800
138 2HB ASN 20 HB1 ASN 20 -9.770 -0.010 -2.888
139 1HD2 ASN 20 HD22 ASN 20 -12.267 2.502 -3.938
140 2HD2 ASN 20 HD21 ASN 20 -10.747 1.857 -4.521
141 H GLU 21 H GLU 21 -9.214 -1.851 -0.782
142 HA GLU 21 HA GLU 21 -6.456 -2.006 0.042
143 1HB GLU 21 H GLU 21 -6.810 -4.484 -0.520
144 2HB GLU 21 H GLU 21 -7.874 -3.800 0.724
145 1HG GLU 21 H GLU 21 -8.827 -3.710 -2.131
146 2HG GLU 21 H GLU 21 -8.826 -5.280 -1.308
147 H ASP 22 H ASP 22 -8.106 -1.630 -2.995
148 HA ASP 22 HA ASP 22 -6.260 -2.829 -4.789
149 1HB ASP 22 H ASP 22 -8.412 -2.127 -5.573
150 2HB ASP 22 H ASP 22 -8.175 -0.479 -4.954
151 H HIS 23 H HIS 23 -6.475 0.464 -3.397
152 HA HIS 23 HA HIS 23 -4.228 1.489 -4.838
153 1HB HIS 23 HB2 HIS 23 -5.344 2.448 -2.188
154 2HB HIS 23 HB1 HIS 23 -4.452 3.400 -3.386
155 HD1 HIS 23 HD1 HIS 23 -6.365 1.871 -5.756
156 HD2 HIS 23 HD2 HIS 23 -7.509 4.332 -2.559
157 HE1 HIS 23 HE1 HIS 23 -8.633 2.872 -6.318
158 H LEU 24 H LEU 24 -4.646 -0.286 -1.809
159 HA LEU 24 HA LEU 24 -1.967 0.229 -0.829
160 1HB LEU 24 HB2 LEU 24 -4.068 -0.553 0.480
161 2HB LEU 24 HB1 LEU 24 -3.684 -2.171 -0.145
162 HG LEU 24 HG LEU 24 -1.211 -1.491 0.763
163 1HD1 LEU 24 HD11 LEU 24 -3.196 0.153 2.360
164 2HD1 LEU 24 HD12 LEU 24 -1.620 -0.338 3.011
165 3HD1 LEU 24 HD13 LEU 24 -1.702 0.694 1.569
166 1HD2 LEU 24 HD22 LEU 24 -3.545 -2.521 2.436
167 2HD2 LEU 24 HD23 LEU 24 -2.423 -3.494 1.457
168 3HD2 LEU 24 HD21 LEU 24 -1.836 -2.648 2.909
169 H ALA 25 H ALA 25 -3.539 -2.156 -2.952
170 HA ALA 25 HA ALA 25 -1.474 -4.103 -2.986
171 1HB ALA 25 HB3 ALA 25 -3.803 -4.401 -3.850
172 2HB ALA 25 HB2 ALA 25 -3.399 -3.338 -5.218
173 3HB ALA 25 HB1 ALA 25 -2.557 -4.891 -5.022
174 H VAL 26 H VAL 26 -2.164 -1.445 -5.367
175 HA VAL 26 HA VAL 26 0.207 -1.888 -6.885
176 HB VAL 26 HB VAL 26 -0.231 0.359 -7.830
177 1HG1 VAL 26 HG13 VAL 26 -1.538 -1.649 -8.561
178 2HG1 VAL 26 HG11 VAL 26 -2.796 -1.228 -7.375
179 3HG1 VAL 26 HG12 VAL 26 -2.449 -0.132 -8.731
180 1HG2 VAL 26 HG23 VAL 26 -2.304 0.531 -5.600
181 2HG2 VAL 26 HG21 VAL 26 -0.901 1.598 -5.832
182 3HG2 VAL 26 HG22 VAL 26 -2.244 1.624 -6.996
183 H HIS 27 H HIS 27 -0.487 0.206 -4.075
184 HA HIS 27 HA HIS 27 1.967 1.636 -4.059
185 1HB HIS 27 HB2 HIS 27 0.075 2.399 -2.805
186 2HB HIS 27 HB1 HIS 27 -0.053 0.861 -1.936
187 HD1 HIS 27 HD1 HIS 27 2.191 3.950 -2.161
188 HD2 HIS 27 HD2 HIS 27 1.432 0.706 0.365
189 HE1 HIS 27 HE1 HIS 27 3.456 4.352 0.007
190 H LYS 28 H LYS 28 0.966 -1.434 -2.470
191 HA LYS 28 HA LYS 28 3.460 -1.846 -1.114
192 1HB LYS 28 H LYS 28 1.260 -2.866 -0.468
193 2HB LYS 28 H LYS 28 1.324 -3.859 -1.940
194 1HG LYS 28 H LYS 28 2.182 -5.262 -0.225
195 2HG LYS 28 H LYS 28 3.618 -4.676 -1.088
196 1HD LYS 28 H LYS 28 3.143 -2.719 0.883
197 2HD LYS 28 H LYS 28 2.813 -4.259 1.707
198 1HE LYS 28 H LYS 28 5.339 -3.589 0.129
199 2HE LYS 28 H LYS 28 5.204 -3.604 1.900
200 1HZ LYS 28 H LYS 28 4.735 -5.929 0.158
201 2HZ LYS 28 H LYS 28 6.137 -5.630 0.977
202 3HZ LYS 28 H LYS 28 4.740 -5.920 1.813
203 H HIS 29 H HIS 29 2.104 -2.938 -4.252
204 HA HIS 29 HA HIS 29 4.164 -4.724 -4.973
205 1HB HIS 29 HB2 HIS 29 1.988 -4.477 -6.139
206 2HB HIS 29 HB1 HIS 29 2.495 -2.888 -6.738
207 HD1 HIS 29 HD1 HIS 29 4.938 -5.801 -6.683
208 HD2 HIS 29 HD2 HIS 29 2.515 -3.763 -9.426
209 HE1 HIS 29 HE1 HIS 29 5.604 -6.560 -9.018
210 H LYS 30 H LYS 30 3.863 -1.165 -5.356
211 HA LYS 30 HA LYS 30 6.189 -0.740 -6.904
212 1HB LYS 30 H LYS 30 4.354 0.919 -6.362
213 2HB LYS 30 H LYS 30 5.076 1.088 -4.745
214 1HG LYS 30 H LYS 30 7.182 1.871 -5.714
215 2HG LYS 30 H LYS 30 6.591 1.533 -7.354
216 1HD LYS 30 H LYS 30 6.432 3.953 -6.808
217 2HD LYS 30 H LYS 30 4.835 3.239 -7.118
218 1HE LYS 30 H LYS 30 4.910 4.771 -5.113
219 2HE LYS 30 H LYS 30 4.339 3.132 -4.747
220 1HZ LYS 30 H LYS 30 7.088 4.087 -4.333
221 2HZ LYS 30 H LYS 30 5.940 3.961 -3.154
222 3HZ LYS 30 H LYS 30 6.493 2.606 -3.915
223 H HIS 31 H HIS 31 5.743 -1.041 -3.341
224 HA HIS 31 HA HIS 31 8.457 -0.398 -2.667
225 1HB HIS 31 HB2 HIS 31 6.268 -1.953 -1.258
226 2HB HIS 31 HB1 HIS 31 7.861 -1.681 -0.538
227 HD1 HIS 31 HD1 HIS 31 8.537 1.137 -0.802
228 HD2 HIS 31 HD2 HIS 31 4.541 -0.038 -0.325
229 HE1 HIS 31 HE1 HIS 31 7.241 3.143 0.072
230 H GLU 32 H GLU 32 6.723 -3.510 -3.216
231 HA GLU 32 HA GLU 32 8.865 -5.262 -2.696
232 1HB GLU 32 H GLU 32 6.259 -5.355 -4.030
233 2HB GLU 32 H GLU 32 7.451 -6.363 -4.879
234 1HG GLU 32 H GLU 32 6.464 -7.774 -3.225
235 2HG GLU 32 H GLU 32 8.069 -7.344 -2.600
236 H MET 33 H MET 33 8.002 -3.489 -5.701
237 HA MET 33 HA MET 33 10.166 -4.642 -7.236
238 1HB MET 33 HB1 MET 33 8.325 -2.253 -7.616
239 2HB MET 33 HB2 MET 33 9.597 -2.677 -8.785
240 1HG MET 33 HG2 MET 33 8.608 -5.017 -8.842
241 2HG MET 33 HG1 MET 33 7.244 -4.387 -7.913
242 1HE MET 33 HE1 MET 33 5.609 -2.577 -8.712
243 2HE MET 33 HE3 MET 33 6.883 -1.435 -9.201
244 3HE MET 33 HE2 MET 33 5.581 -1.854 -10.336
245 H THR 34 H THR 34 12.083 -4.383 -6.088
246 HA THR 34 HA THR 34 12.919 -1.797 -5.057
247 HB THR 34 HB THR 34 15.138 -3.141 -4.826
248 HG1 THR 34 HG1 THR 34 13.432 -5.352 -5.209
249 1HG2 THR 34 HG21 THR 34 12.566 -4.120 -3.506
250 2HG2 THR 34 HG23 THR 34 14.212 -4.407 -2.896
251 3HG2 THR 34 HG22 THR 34 13.566 -2.751 -2.966
252 H LEU 35 H LEU 35 12.372 -0.857 -7.330
253 HA LEU 35 HA LEU 35 13.185 0.278 -9.139
254 1HB LEU 35 HB1 LEU 35 15.292 0.349 -7.503
255 2HB LEU 35 HB2 LEU 35 15.991 -0.737 -8.726
256 HG LEU 35 HG LEU 35 15.109 1.056 -10.446
257 1HD1 LEU 35 HD12 LEU 35 13.805 2.360 -8.779
258 2HD1 LEU 35 HD11 LEU 35 15.299 2.692 -7.874
259 3HD1 LEU 35 HD13 LEU 35 15.085 3.351 -9.513
260 1HD2 LEU 35 HD22 LEU 35 17.458 1.601 -8.576
261 2HD2 LEU 35 HD23 LEU 35 17.489 0.569 -10.026
262 3HD2 LEU 35 HD21 LEU 35 17.236 2.323 -10.188
263 H LYS 36 H LYS 36 12.481 -2.714 -9.061
264 HA LYS 36 HA LYS 36 12.833 -3.223 -11.854
265 1HB LYS 36 H LYS 36 14.240 -5.284 -11.635
266 2HB LYS 36 H LYS 36 15.135 -3.800 -11.244
267 1HG LYS 36 H LYS 36 14.663 -4.226 -8.808
268 2HG LYS 36 H LYS 36 13.918 -5.774 -9.258
269 1HD LYS 36 H LYS 36 15.979 -6.664 -10.036
270 2HD LYS 36 H LYS 36 16.733 -5.057 -10.145
271 1HE LYS 36 H LYS 36 17.514 -6.414 -8.172
272 2HE LYS 36 H LYS 36 16.807 -4.844 -7.733
273 1HZ LYS 36 H LYS 36 15.272 -7.348 -7.729
274 2HZ LYS 36 H LYS 36 16.072 -6.775 -6.402
275 3HZ LYS 36 H LYS 36 14.849 -5.890 -7.066
276 H PHE 37 H PHE 37 11.772 -5.287 -12.461
277 HA PHE 37 HA PHE 37 9.381 -5.714 -11.000
278 1HB PHE 37 HB1 PHE 37 10.781 -7.483 -13.040
279 2HB PHE 37 HB2 PHE 37 9.099 -7.660 -12.512
280 HD1 PHE 37 HD1 PHE 37 7.541 -5.588 -12.826
281 HD2 PHE 37 HD2 PHE 37 11.288 -6.112 -14.889
282 HE1 PHE 37 HE1 PHE 37 6.812 -3.967 -14.562
283 HE2 PHE 37 HE2 PHE 37 10.555 -4.489 -16.624
284 HZ PHE 37 HZ PHE 37 8.319 -3.417 -16.461
285 H GLY 38 H GLY 38 12.500 -7.482 -11.045
286 1HA GLY 38 HA1 GLY 38 11.967 -8.565 -8.396
287 2HA GLY 38 HA2 GLY 38 11.973 -9.788 -9.689
No H/Q in entry = 287
Start of MODEL 5
1 1H MET 1 H1 MET 1 -16.522 6.953 4.991
2 2H MET 1 H2 MET 1 -15.794 5.695 4.202
3 3H MET 1 H3 MET 1 -16.152 7.090 3.393
4 HA MET 1 HA MET 1 -18.481 6.742 3.649
5 1HB MET 1 HB2 MET 1 -17.076 4.276 2.541
6 2HB MET 1 HB1 MET 1 -18.719 4.829 2.145
7 1HG MET 1 HG2 MET 1 -17.669 7.015 1.366
8 2HG MET 1 HG1 MET 1 -16.091 6.228 1.525
9 1HE MET 1 HE2 MET 1 -15.284 4.205 0.165
10 2HE MET 1 HE3 MET 1 -16.723 3.228 0.541
11 3HE MET 1 HE1 MET 1 -16.193 3.417 -1.146
12 H SER 2 H SER 2 -16.698 5.363 6.054
13 HA SER 2 HA SER 2 -17.314 4.288 7.970
14 1HB SER 2 HB1 SER 2 -20.073 3.755 6.816
15 2HB SER 2 HB2 SER 2 -19.580 3.844 8.519
16 HG SER 2 HG SER 2 -20.609 5.768 7.740
17 H ASP 3 H ASP 3 -18.807 2.658 5.102
18 HA ASP 3 HA ASP 3 -18.376 0.008 6.057
19 1HB ASP 3 H ASP 3 -19.954 0.542 4.260
20 2HB ASP 3 H ASP 3 -18.626 1.122 3.232
21 H ASP 4 H ASP 4 -16.465 2.138 3.863
22 HA ASP 4 HA ASP 4 -14.370 0.278 3.380
23 1HB ASP 4 H ASP 4 -13.191 2.134 2.460
24 2HB ASP 4 H ASP 4 -14.906 2.439 2.124
25 H LYS 5 H LYS 5 -12.327 0.033 4.337
26 HA LYS 5 HA LYS 5 -12.098 1.111 7.110
27 1HB LYS 5 H LYS 5 -11.086 -1.504 5.926
28 2HB LYS 5 H LYS 5 -10.800 -0.960 7.590
29 1HG LYS 5 H LYS 5 -13.634 -1.169 6.520
30 2HG LYS 5 H LYS 5 -12.786 -2.619 7.081
31 1HD LYS 5 H LYS 5 -13.584 -2.065 9.137
32 2HD LYS 5 H LYS 5 -12.270 -0.873 9.157
33 1HE LYS 5 H LYS 5 -14.386 0.200 9.773
34 2HE LYS 5 H LYS 5 -13.829 0.833 8.220
35 1HZ LYS 5 H LYS 5 -15.364 -0.652 7.132
36 2HZ LYS 5 H LYS 5 -15.884 -1.229 8.589
37 3HZ LYS 5 H LYS 5 -16.153 0.350 8.181
38 HA PRO 6 HA PRO 6 -8.430 3.042 5.633
39 1HB PRO 6 HB1 PRO 6 -7.004 3.181 8.044
40 2HB PRO 6 HB2 PRO 6 -8.229 4.352 7.485
41 1HG PRO 6 HG2 PRO 6 -8.443 2.275 9.592
42 2HG PRO 6 HG1 PRO 6 -9.443 3.733 9.332
43 1HD PRO 6 HD1 PRO 6 -10.145 1.043 8.700
44 2HD PRO 6 HD2 PRO 6 -11.020 2.525 8.213
45 H PHE 7 H PHE 7 -7.171 1.755 4.340
46 HA PHE 7 HA PHE 7 -5.777 -0.581 5.502
47 1HB PHE 7 HB2 PHE 7 -5.898 0.513 2.664
48 2HB PHE 7 HB1 PHE 7 -5.144 -1.012 3.157
49 HD1 PHE 7 HD1 PHE 7 -6.530 -2.921 3.919
50 HD2 PHE 7 HD2 PHE 7 -8.295 0.734 2.496
51 HE1 PHE 7 HE1 PHE 7 -8.718 -4.072 3.678
52 HE2 PHE 7 HE2 PHE 7 -10.482 -0.412 2.265
53 HZ PHE 7 HZ PHE 7 -10.696 -2.818 2.846
54 H LEU 8 H LEU 8 -4.126 0.221 6.790
55 HA LEU 8 HA LEU 8 -2.388 2.347 5.713
56 1HB LEU 8 HB2 LEU 8 -3.265 2.354 8.076
57 2HB LEU 8 HB1 LEU 8 -2.274 0.913 8.396
58 HG LEU 8 HG LEU 8 -0.814 3.162 7.094
59 1HD1 LEU 8 HD13 LEU 8 -1.857 3.402 9.951
60 2HD1 LEU 8 HD11 LEU 8 -0.643 4.466 9.201
61 3HD1 LEU 8 HD12 LEU 8 -2.311 4.444 8.582
62 1HD2 LEU 8 HD21 LEU 8 -0.304 1.462 9.579
63 2HD2 LEU 8 HD22 LEU 8 0.289 1.105 7.942
64 3HD2 LEU 8 HD23 LEU 8 0.873 2.546 8.800
65 H CYS 9 H CYS 9 -0.702 1.807 4.458
66 HA CYS 9 HA CYS 9 0.384 -0.888 4.389
67 1HB CYS 9 HB2 CYS 9 0.360 0.469 2.364
68 2HB CYS 9 HB1 CYS 9 1.295 1.757 3.163
69 H THR 10 H THR 10 1.289 -1.454 6.371
70 HA THR 10 HA THR 10 2.733 0.204 8.102
71 HB THR 10 HB THR 10 3.282 -2.748 7.595
72 HG1 THR 10 HG1 THR 10 1.226 -1.498 9.108
73 1HG2 THR 10 HG22 THR 10 3.381 -0.986 10.087
74 2HG2 THR 10 HG21 THR 10 3.687 -2.739 10.050
75 3HG2 THR 10 HG23 THR 10 4.787 -1.627 9.202
76 H ALA 11 H ALA 11 4.401 1.491 7.499
77 HA ALA 11 HA ALA 11 6.852 0.260 6.547
78 1HB ALA 11 HB2 ALA 11 5.219 2.110 4.775
79 2HB ALA 11 HB3 ALA 11 6.973 1.891 4.569
80 3HB ALA 11 HB1 ALA 11 5.874 0.506 4.380
81 HA PRO 12 HA PRO 12 8.293 3.507 9.110
82 1HB PRO 12 HB2 PRO 12 10.881 3.821 8.129
83 2HB PRO 12 HB1 PRO 12 10.354 2.498 9.209
84 1HG PRO 12 HG2 PRO 12 10.808 2.464 6.241
85 2HG PRO 12 HG1 PRO 12 11.067 1.163 7.442
86 1HD PRO 12 HD1 PRO 12 8.883 1.331 5.722
87 2HD PRO 12 HD2 PRO 12 8.880 0.446 7.277
88 H GLY 13 H GLY 13 10.139 4.266 6.121
89 1HA GLY 13 HA1 GLY 13 9.475 7.081 6.381
90 2HA GLY 13 HA2 GLY 13 10.521 6.330 5.161
91 H CYS 14 H CYS 14 7.139 5.362 5.848
92 HA CYS 14 HA CYS 14 6.169 6.891 3.525
93 1HB CYS 14 HB2 CYS 14 7.035 4.903 2.423
94 2HB CYS 14 HB1 CYS 14 6.169 3.853 3.566
95 H GLY 15 H GLY 15 5.009 3.950 5.269
96 1HA GLY 15 HA2 GLY 15 3.021 3.557 6.351
97 2HA GLY 15 HA1 GLY 15 3.406 5.064 7.201
98 H GLN 16 H GLN 16 2.404 4.449 3.751
99 HA GLN 16 HA GLN 16 0.477 6.644 3.970
100 1HB GLN 16 HB2 GLN 16 1.494 4.860 1.758
101 2HB GLN 16 HB1 GLN 16 0.004 5.805 1.533
102 1HG GLN 16 HG1 GLN 16 1.179 7.882 2.046
103 2HG GLN 16 HG2 GLN 16 2.664 6.988 2.430
104 HE2 GLN 16 HE22 GLN 16 0.248 7.152 -0.262
105 HE2 GLN 16 HE21 GLN 16 1.437 7.198 -1.545
106 H ARG 17 H ARG 17 -1.779 6.441 3.635
107 HA ARG 17 HA ARG 17 -2.877 3.713 4.096
108 1HB ARG 17 H ARG 17 -2.891 4.997 6.196
109 2HB ARG 17 H ARG 17 -3.745 6.327 5.389
110 1HG ARG 17 H ARG 17 -5.033 3.652 5.111
111 2HG ARG 17 H ARG 17 -4.983 4.288 6.766
112 1HD ARG 17 H ARG 17 -5.966 5.923 4.395
113 2HD ARG 17 H ARG 17 -7.038 4.930 5.401
114 HE ARG 17 H ARG 17 -5.507 6.601 7.112
115 1HH1 ARG 17 H ARG 17 -8.041 6.813 4.647
116 2HH1 ARG 17 H ARG 17 -8.757 8.262 5.312
117 1HH2 ARG 17 H ARG 17 -6.458 8.513 7.988
118 2HH2 ARG 17 H ARG 17 -7.851 9.234 7.216
119 H PHE 18 H PHE 18 -4.878 3.275 3.126
120 HA PHE 18 HA PHE 18 -5.910 5.358 1.263
121 1HB PHE 18 HB2 PHE 18 -5.473 2.463 0.468
122 2HB PHE 18 HB1 PHE 18 -5.903 3.832 -0.571
123 HD1 PHE 18 HD2 PHE 18 -3.169 2.384 1.520
124 HD2 PHE 18 HD1 PHE 18 -4.204 5.230 -1.540
125 HE1 PHE 18 HE2 PHE 18 -0.761 2.799 1.093
126 HE2 PHE 18 HE1 PHE 18 -1.790 5.640 -1.967
127 HZ PHE 18 HZ PHE 18 -0.070 4.426 -0.642
128 H THR 19 H THR 19 -8.079 4.789 0.417
129 HA THR 19 HA THR 19 -9.732 3.721 2.594
130 HB THR 19 HB THR 19 -10.435 5.806 1.605
131 HG1 THR 19 HG1 THR 19 -12.109 4.343 2.075
132 1HG2 THR 19 HG21 THR 19 -10.174 4.311 -1.031
133 2HG2 THR 19 HG23 THR 19 -11.123 5.805 -0.874
134 3HG2 THR 19 HG22 THR 19 -9.378 5.823 -0.539
135 H ASN 20 H ASN 20 -8.307 2.537 -0.335
136 HA ASN 20 HA ASN 20 -10.085 0.141 -0.216
137 1HB ASN 20 HB2 ASN 20 -9.140 1.712 -2.639
138 2HB ASN 20 HB1 ASN 20 -9.696 0.031 -2.749
139 1HD2 ASN 20 HD21 ASN 20 -13.140 0.767 -2.089
140 2HD2 ASN 20 HD22 ASN 20 -11.905 -0.468 -1.993
141 H GLU 21 H GLU 21 -9.051 -1.825 -0.432
142 HA GLU 21 HA GLU 21 -6.246 -1.913 0.128
143 1HB GLU 21 H GLU 21 -6.511 -4.344 -0.082
144 2HB GLU 21 H GLU 21 -7.847 -3.651 0.862
145 1HG GLU 21 H GLU 21 -9.272 -3.664 -1.191
146 2HG GLU 21 H GLU 21 -7.940 -4.425 -2.087
147 H ASP 22 H ASP 22 -8.129 -1.785 -2.828
148 HA ASP 22 HA ASP 22 -6.339 -2.932 -4.680
149 1HB ASP 22 H ASP 22 -8.088 -0.462 -5.030
150 2HB ASP 22 H ASP 22 -7.490 -1.529 -6.318
151 H HIS 23 H HIS 23 -6.513 0.377 -3.302
152 HA HIS 23 HA HIS 23 -4.316 1.410 -4.838
153 1HB HIS 23 HB2 HIS 23 -5.427 2.336 -2.167
154 2HB HIS 23 HB1 HIS 23 -4.433 3.290 -3.281
155 HD1 HIS 23 HD1 HIS 23 -7.391 4.086 -2.334
156 HD2 HIS 23 HD2 HIS 23 -6.389 2.251 -5.962
157 HE1 HIS 23 HE1 HIS 23 -9.254 4.584 -3.992
158 H LEU 24 H LEU 24 -4.655 -0.330 -1.774
159 HA LEU 24 HA LEU 24 -1.978 0.149 -0.836
160 1HB LEU 24 HB2 LEU 24 -4.110 -0.733 0.412
161 2HB LEU 24 HB1 LEU 24 -3.613 -2.318 -0.212
162 HG LEU 24 HG LEU 24 -1.224 -1.576 0.769
163 1HD1 LEU 24 HD11 LEU 24 -3.268 0.108 2.244
164 2HD1 LEU 24 HD13 LEU 24 -1.714 -0.347 2.967
165 3HD1 LEU 24 HD12 LEU 24 -1.752 0.632 1.485
166 1HD2 LEU 24 HD21 LEU 24 -2.576 -3.545 1.479
167 2HD2 LEU 24 HD23 LEU 24 -1.819 -2.732 2.868
168 3HD2 LEU 24 HD22 LEU 24 -3.548 -2.488 2.528
169 H ALA 25 H ALA 25 -3.527 -2.249 -2.982
170 HA ALA 25 HA ALA 25 -1.422 -4.144 -3.067
171 1HB ALA 25 HB1 ALA 25 -3.740 -4.496 -3.915
172 2HB ALA 25 HB2 ALA 25 -3.396 -3.383 -5.260
173 3HB ALA 25 HB3 ALA 25 -2.501 -4.914 -5.122
174 H VAL 26 H VAL 26 -2.190 -1.506 -5.442
175 HA VAL 26 HA VAL 26 0.168 -1.872 -6.982
176 HB VAL 26 HB VAL 26 -0.310 0.399 -7.865
177 1HG1 VAL 26 HG11 VAL 26 -1.584 -1.608 -8.646
178 2HG1 VAL 26 HG13 VAL 26 -2.836 -1.257 -7.430
179 3HG1 VAL 26 HG12 VAL 26 -2.533 -0.107 -8.753
180 1HG2 VAL 26 HG23 VAL 26 -2.410 0.470 -5.654
181 2HG2 VAL 26 HG21 VAL 26 -0.987 1.527 -5.778
182 3HG2 VAL 26 HG22 VAL 26 -2.290 1.639 -6.983
183 H HIS 27 H HIS 27 -0.488 0.074 -4.067
184 HA HIS 27 HA HIS 27 1.918 1.591 -4.102
185 1HB HIS 27 HB2 HIS 27 -0.073 2.151 -2.788
186 2HB HIS 27 HB1 HIS 27 0.117 0.667 -1.832
187 HD1 HIS 27 HD1 HIS 27 2.254 3.776 -2.662
188 HD2 HIS 27 HD2 HIS 27 1.440 1.121 0.452
189 HE1 HIS 27 HE1 HIS 27 3.555 4.564 -0.627
190 H LYS 28 H LYS 28 1.028 -1.483 -2.441
191 HA LYS 28 HA LYS 28 3.552 -1.889 -1.190
192 1HB LYS 28 H LYS 28 1.238 -3.684 -1.963
193 2HB LYS 28 H LYS 28 2.710 -4.345 -1.211
194 1HG LYS 28 H LYS 28 2.439 -2.674 0.655
195 2HG LYS 28 H LYS 28 0.883 -2.197 -0.051
196 1HD LYS 28 H LYS 28 1.656 -4.947 1.012
197 2HD LYS 28 H LYS 28 0.475 -3.819 1.714
198 1HE LYS 28 H LYS 28 -0.861 -4.004 -0.431
199 2HE LYS 28 H LYS 28 0.258 -5.281 -0.955
200 1HZ LYS 28 H LYS 28 -1.392 -5.359 1.470
201 2HZ LYS 28 H LYS 28 -1.698 -6.173 0.070
202 3HZ LYS 28 H LYS 28 -0.362 -6.542 0.964
203 H HIS 29 H HIS 29 2.196 -2.952 -4.352
204 HA HIS 29 HA HIS 29 4.330 -4.610 -5.143
205 1HB HIS 29 HB2 HIS 29 2.189 -4.463 -6.334
206 2HB HIS 29 HB1 HIS 29 2.543 -2.792 -6.806
207 HD1 HIS 29 HD1 HIS 29 5.187 -5.537 -6.957
208 HD2 HIS 29 HD2 HIS 29 2.720 -3.365 -9.553
209 HE1 HIS 29 HE1 HIS 29 5.953 -6.016 -9.335
210 H LYS 30 H LYS 30 3.962 -1.044 -5.247
211 HA LYS 30 HA LYS 30 6.300 -0.565 -6.828
212 1HB LYS 30 H LYS 30 4.236 0.973 -6.068
213 2HB LYS 30 H LYS 30 5.386 1.443 -4.796
214 1HG LYS 30 H LYS 30 7.086 1.946 -6.567
215 2HG LYS 30 H LYS 30 5.884 1.525 -7.809
216 1HD LYS 30 H LYS 30 5.560 3.822 -7.723
217 2HD LYS 30 H LYS 30 4.393 3.304 -6.484
218 1HE LYS 30 H LYS 30 5.627 5.083 -5.484
219 2HE LYS 30 H LYS 30 6.297 3.597 -4.778
220 1HZ LYS 30 H LYS 30 7.455 5.055 -7.060
221 2HZ LYS 30 H LYS 30 7.985 5.160 -5.499
222 3HZ LYS 30 H LYS 30 8.100 3.732 -6.314
223 H HIS 31 H HIS 31 5.764 -1.149 -3.363
224 HA HIS 31 HA HIS 31 8.452 -0.318 -2.591
225 1HB HIS 31 HB2 HIS 31 6.221 -1.853 -1.224
226 2HB HIS 31 HB1 HIS 31 7.794 -1.583 -0.462
227 HD1 HIS 31 HD1 HIS 31 8.437 1.292 -0.946
228 HD2 HIS 31 HD2 HIS 31 4.524 0.016 -0.133
229 HE1 HIS 31 HE1 HIS 31 7.143 3.289 -0.051
230 H GLU 32 H GLU 32 6.737 -3.494 -2.767
231 HA GLU 32 HA GLU 32 9.292 -4.938 -2.773
232 1HB GLU 32 H GLU 32 6.386 -5.849 -3.004
233 2HB GLU 32 H GLU 32 7.789 -6.938 -2.923
234 1HG GLU 32 H GLU 32 7.252 -6.876 -0.680
235 2HG GLU 32 H GLU 32 8.348 -5.482 -0.744
236 H MET 33 H MET 33 9.417 -3.252 -4.836
237 HA MET 33 HA MET 33 8.360 -4.491 -7.279
238 1HB MET 33 HB2 MET 33 9.352 -2.528 -8.390
239 2HB MET 33 HB1 MET 33 8.347 -2.040 -7.014
240 1HG MET 33 HG1 MET 33 10.260 -0.721 -6.738
241 2HG MET 33 HG2 MET 33 10.565 -2.072 -5.645
242 1HE MET 33 HE2 MET 33 12.825 -0.156 -6.314
243 2HE MET 33 HE3 MET 33 13.083 -1.651 -5.386
244 3HE MET 33 HE1 MET 33 14.165 -1.244 -6.738
245 H THR 34 H THR 34 10.083 -4.356 -9.178
246 HA THR 34 HA THR 34 12.644 -5.604 -8.321
247 HB THR 34 HB THR 34 12.329 -7.146 -10.351
248 HG1 THR 34 HG1 THR 34 9.593 -6.538 -9.937
249 1HG2 THR 34 HG23 THR 34 12.108 -7.899 -7.982
250 2HG2 THR 34 HG21 THR 34 10.383 -7.463 -8.019
251 3HG2 THR 34 HG22 THR 34 10.995 -8.766 -9.065
252 H LEU 35 H LEU 35 10.784 -4.544 -11.229
253 HA LEU 35 HA LEU 35 13.250 -3.308 -12.319
254 1HB LEU 35 HB2 LEU 35 11.970 -4.850 -13.762
255 2HB LEU 35 HB1 LEU 35 10.512 -3.857 -13.547
256 HG LEU 35 HG LEU 35 11.700 -1.922 -14.604
257 1HD1 LEU 35 HD12 LEU 35 13.914 -3.996 -14.896
258 2HD1 LEU 35 HD11 LEU 35 13.833 -2.519 -15.885
259 3HD1 LEU 35 HD13 LEU 35 14.014 -2.396 -14.122
260 1HD2 LEU 35 HD23 LEU 35 10.304 -3.462 -15.958
261 2HD2 LEU 35 HD21 LEU 35 11.673 -2.827 -16.900
262 3HD2 LEU 35 HD22 LEU 35 11.730 -4.485 -16.255
263 H LYS 36 H LYS 36 9.874 -2.571 -11.397
264 HA LYS 36 HA LYS 36 8.713 -0.634 -11.134
265 1HB LYS 36 H LYS 36 9.690 0.970 -9.610
266 2HB LYS 36 H LYS 36 10.188 -0.657 -9.131
267 1HG LYS 36 H LYS 36 12.407 -0.345 -9.854
268 2HG LYS 36 H LYS 36 11.976 0.999 -10.933
269 1HD LYS 36 H LYS 36 11.292 1.507 -8.104
270 2HD LYS 36 H LYS 36 13.034 1.267 -8.382
271 1HE LYS 36 H LYS 36 13.105 3.016 -10.032
272 2HE LYS 36 H LYS 36 11.335 3.126 -10.089
273 1HZ LYS 36 H LYS 36 12.852 3.686 -7.653
274 2HZ LYS 36 H LYS 36 12.522 4.848 -8.775
275 3HZ LYS 36 H LYS 36 11.281 4.080 -8.001
276 H PHE 37 H PHE 37 9.476 2.078 -11.115
277 HA PHE 37 HA PHE 37 10.733 2.761 -13.650
278 1HB PHE 37 HB2 PHE 37 8.505 2.074 -14.428
279 2HB PHE 37 HB1 PHE 37 7.738 3.127 -13.229
280 HD1 PHE 37 HD2 PHE 37 9.868 3.107 -16.297
281 HD2 PHE 37 HD1 PHE 37 7.396 5.453 -13.661
282 HE1 PHE 37 HE2 PHE 37 9.910 4.983 -17.925
283 HE2 PHE 37 HE1 PHE 37 7.440 7.328 -15.290
284 HZ PHE 37 HZ PHE 37 8.697 7.094 -17.423
285 H GLY 38 H GLY 38 8.498 3.809 -11.023
286 1HA GLY 38 HA1 GLY 38 10.353 6.003 -10.349
287 2HA GLY 38 HA2 GLY 38 8.691 6.446 -10.803
No H/Q in entry = 287
Start of MODEL 6
1 1H MET 1 H2 MET 1 -6.589 -5.799 13.046
2 2H MET 1 H1 MET 1 -6.700 -7.433 12.850
3 3H MET 1 H3 MET 1 -5.475 -6.597 12.127
4 HA MET 1 HA MET 1 -6.993 -5.429 10.735
5 1HB MET 1 HB2 MET 1 -7.125 -8.464 10.734
6 2HB MET 1 HB1 MET 1 -7.884 -7.480 9.461
7 1HG MET 1 HG2 MET 1 -5.663 -6.356 9.097
8 2HG MET 1 HG1 MET 1 -4.942 -7.495 10.245
9 1HE MET 1 HE2 MET 1 -4.704 -10.020 9.902
10 2HE MET 1 HE1 MET 1 -6.432 -10.255 9.553
11 3HE MET 1 HE3 MET 1 -5.205 -10.918 8.451
12 H SER 2 H SER 2 -8.998 -8.270 11.490
13 HA SER 2 HA SER 2 -11.210 -8.461 12.025
14 1HB SER 2 HB2 SER 2 -10.829 -5.860 13.568
15 2HB SER 2 HB1 SER 2 -12.039 -7.130 13.861
16 HG SER 2 HG SER 2 -10.245 -7.313 15.265
17 H ASP 3 H ASP 3 -10.977 -7.664 9.532
18 HA ASP 3 HA ASP 3 -11.962 -6.567 7.790
19 1HB ASP 3 H ASP 3 -13.963 -7.561 8.889
20 2HB ASP 3 H ASP 3 -14.169 -6.076 9.837
21 H ASP 4 H ASP 4 -9.997 -5.062 8.903
22 HA ASP 4 HA ASP 4 -10.865 -2.447 9.748
23 1HB ASP 4 H ASP 4 -8.464 -1.859 9.357
24 2HB ASP 4 H ASP 4 -8.676 -3.293 10.376
25 H LYS 5 H LYS 5 -11.134 -0.579 8.592
26 HA LYS 5 HA LYS 5 -11.377 -0.881 5.663
27 1HB LYS 5 H LYS 5 -12.355 1.281 7.566
28 2HB LYS 5 H LYS 5 -12.622 1.273 5.813
29 1HG LYS 5 H LYS 5 -13.465 -1.038 7.617
30 2HG LYS 5 H LYS 5 -14.526 0.340 7.266
31 1HD LYS 5 H LYS 5 -15.186 -0.779 5.412
32 2HD LYS 5 H LYS 5 -13.588 -0.410 4.733
33 1HE LYS 5 H LYS 5 -14.011 -2.809 4.554
34 2HE LYS 5 H LYS 5 -12.710 -2.537 5.726
35 1HZ LYS 5 H LYS 5 -15.502 -2.849 6.542
36 2HZ LYS 5 H LYS 5 -14.487 -4.139 6.355
37 3HZ LYS 5 H LYS 5 -14.142 -2.972 7.473
38 HA PRO 6 HA PRO 6 -8.284 2.700 5.980
39 1HB PRO 6 HB2 PRO 6 -6.931 3.093 8.378
40 2HB PRO 6 HB1 PRO 6 -8.387 3.992 7.871
41 1HG PRO 6 HG1 PRO 6 -8.114 1.913 9.956
42 2HG PRO 6 HG2 PRO 6 -9.434 3.091 9.697
43 1HD PRO 6 HD2 PRO 6 -9.370 0.290 8.989
44 2HD PRO 6 HD1 PRO 6 -10.687 1.464 8.715
45 H PHE 7 H PHE 7 -7.166 1.171 4.684
46 HA PHE 7 HA PHE 7 -5.488 -0.870 5.891
47 1HB PHE 7 HB2 PHE 7 -5.548 0.141 3.029
48 2HB PHE 7 HB1 PHE 7 -4.929 -1.415 3.607
49 HD1 PHE 7 HD1 PHE 7 -6.578 -3.057 4.680
50 HD2 PHE 7 HD2 PHE 7 -7.821 0.414 2.461
51 HE1 PHE 7 HE1 PHE 7 -8.836 -4.047 4.398
52 HE2 PHE 7 HE2 PHE 7 -10.080 -0.577 2.185
53 HZ PHE 7 HZ PHE 7 -10.588 -2.810 3.144
54 H LEU 8 H LEU 8 -3.596 -0.422 6.847
55 HA LEU 8 HA LEU 8 -2.065 1.979 6.069
56 1HB LEU 8 HB2 LEU 8 -1.516 -0.095 8.236
57 2HB LEU 8 HB1 LEU 8 -0.742 1.496 8.061
58 HG LEU 8 HG LEU 8 -3.700 0.983 8.645
59 1HD1 LEU 8 HD12 LEU 8 -2.165 0.563 10.552
60 2HD1 LEU 8 HD11 LEU 8 -1.473 2.189 10.343
61 3HD1 LEU 8 HD13 LEU 8 -3.175 2.002 10.827
62 1HD2 LEU 8 HD21 LEU 8 -2.105 3.541 8.206
63 2HD2 LEU 8 HD23 LEU 8 -3.544 2.989 7.317
64 3HD2 LEU 8 HD22 LEU 8 -3.693 3.508 9.009
65 H CYS 9 H CYS 9 -0.421 1.887 4.642
66 HA CYS 9 HA CYS 9 0.346 -0.605 3.415
67 1HB CYS 9 HB2 CYS 9 0.381 1.435 2.119
68 2HB CYS 9 HB1 CYS 9 1.485 2.214 3.279
69 H THR 10 H THR 10 1.647 -2.097 4.308
70 HA THR 10 HA THR 10 3.493 -1.387 6.450
71 HB THR 10 HB THR 10 3.274 -4.026 4.948
72 HG1 THR 10 HG1 THR 10 1.730 -3.020 7.108
73 1HG2 THR 10 HG23 THR 10 4.056 -3.285 7.803
74 2HG2 THR 10 HG21 THR 10 3.988 -4.935 7.142
75 3HG2 THR 10 HG22 THR 10 5.179 -3.773 6.512
76 H ALA 11 H ALA 11 4.821 0.187 5.300
77 HA ALA 11 HA ALA 11 6.990 -1.140 3.785
78 1HB ALA 11 HB1 ALA 11 5.457 1.325 2.861
79 2HB ALA 11 HB2 ALA 11 6.976 0.750 2.140
80 3HB ALA 11 HB3 ALA 11 5.513 -0.256 2.047
81 HA PRO 12 HA PRO 12 9.401 1.247 6.553
82 1HB PRO 12 HB1 PRO 12 11.599 1.831 4.868
83 2HB PRO 12 HB2 PRO 12 11.398 0.376 5.886
84 1HG PRO 12 HG2 PRO 12 11.055 0.692 2.949
85 2HG PRO 12 HG1 PRO 12 11.400 -0.784 3.898
86 1HD PRO 12 HD2 PRO 12 8.922 -0.108 2.764
87 2HD PRO 12 HD1 PRO 12 9.170 -1.296 4.079
88 H GLY 13 H GLY 13 8.526 3.215 7.030
89 1HA GLY 13 HA1 GLY 13 8.453 5.522 7.030
90 2HA GLY 13 HA2 GLY 13 9.497 5.543 5.595
91 H CYS 14 H CYS 14 7.853 3.935 3.839
92 HA CYS 14 HA CYS 14 5.968 6.038 3.054
93 1HB CYS 14 HB2 CYS 14 7.532 4.630 1.561
94 2HB CYS 14 HB1 CYS 14 6.316 3.352 1.707
95 H GLY 15 H GLY 15 4.999 5.256 5.403
96 1HA GLY 15 HA2 GLY 15 3.172 3.010 5.046
97 2HA GLY 15 HA1 GLY 15 3.400 3.982 6.510
98 H GLN 16 H GLN 16 2.267 4.434 3.091
99 HA GLN 16 HA GLN 16 0.455 6.566 3.871
100 1HB GLN 16 HB2 GLN 16 0.780 4.949 1.311
101 2HB GLN 16 HB1 GLN 16 -0.334 6.324 1.494
102 1HG GLN 16 HG2 GLN 16 1.631 7.745 2.182
103 2HG GLN 16 HG1 GLN 16 2.700 6.377 1.809
104 HE2 GLN 16 HE22 GLN 16 2.819 8.421 -1.231
105 HE2 GLN 16 HE21 GLN 16 3.418 8.445 0.413
106 H ARG 17 H ARG 17 -1.917 6.421 3.404
107 HA ARG 17 HA ARG 17 -3.013 3.728 4.077
108 1HB ARG 17 H ARG 17 -2.988 5.074 6.105
109 2HB ARG 17 H ARG 17 -3.720 6.444 5.248
110 1HG ARG 17 H ARG 17 -5.251 3.880 5.105
111 2HG ARG 17 H ARG 17 -5.150 4.633 6.712
112 1HD ARG 17 H ARG 17 -6.046 6.725 5.879
113 2HD ARG 17 H ARG 17 -5.974 6.145 4.205
114 HE ARG 17 H ARG 17 -7.642 4.622 6.113
115 1HH1 ARG 17 H ARG 17 -7.514 7.104 3.581
116 2HH1 ARG 17 H ARG 17 -9.108 6.733 2.961
117 1HH2 ARG 17 H ARG 17 -9.838 4.346 5.456
118 2HH2 ARG 17 H ARG 17 -10.464 5.252 4.094
119 H PHE 18 H PHE 18 -5.028 3.241 3.166
120 HA PHE 18 HA PHE 18 -6.200 5.252 1.315
121 1HB PHE 18 HB2 PHE 18 -5.627 2.379 0.509
122 2HB PHE 18 HB1 PHE 18 -6.242 3.688 -0.512
123 HD1 PHE 18 HD2 PHE 18 -3.257 2.496 1.375
124 HD2 PHE 18 HD1 PHE 18 -4.743 5.184 -1.637
125 HE1 PHE 18 HE2 PHE 18 -0.928 3.056 0.730
126 HE2 PHE 18 HE1 PHE 18 -2.409 5.745 -2.283
127 HZ PHE 18 HZ PHE 18 -0.503 4.680 -1.095
128 H THR 19 H THR 19 -8.397 4.695 0.662
129 HA THR 19 HA THR 19 -9.855 3.314 2.811
130 HB THR 19 HB THR 19 -10.893 4.717 0.306
131 HG1 THR 19 HG1 THR 19 -11.101 6.499 1.684
132 1HG2 THR 19 HG22 THR 19 -12.153 3.855 2.945
133 2HG2 THR 19 HG21 THR 19 -12.916 5.020 1.837
134 3HG2 THR 19 HG23 THR 19 -12.616 3.354 1.301
135 H ASN 20 H ASN 20 -8.458 2.561 -0.231
136 HA ASN 20 HA ASN 20 -10.145 0.106 -0.455
137 1HB ASN 20 HB2 ASN 20 -9.247 2.122 -2.486
138 2HB ASN 20 HB1 ASN 20 -9.220 0.416 -2.967
139 1HD2 ASN 20 HD21 ASN 20 -12.700 0.080 -3.294
140 2HD2 ASN 20 HD22 ASN 20 -11.109 -0.658 -3.420
141 H GLU 21 H GLU 21 -9.036 -1.772 -0.395
142 HA GLU 21 HA GLU 21 -6.225 -1.807 0.119
143 1HB GLU 21 H GLU 21 -6.468 -4.252 -0.037
144 2HB GLU 21 H GLU 21 -7.791 -3.548 0.920
145 1HG GLU 21 H GLU 21 -9.242 -3.598 -1.130
146 2HG GLU 21 H GLU 21 -7.925 -4.406 -2.007
147 H ASP 22 H ASP 22 -8.148 -1.722 -2.789
148 HA ASP 22 HA ASP 22 -6.434 -2.912 -4.677
149 1HB ASP 22 H ASP 22 -8.103 -0.396 -5.054
150 2HB ASP 22 H ASP 22 -7.649 -1.585 -6.292
151 H HIS 23 H HIS 23 -6.595 0.494 -3.507
152 HA HIS 23 HA HIS 23 -4.380 1.387 -5.090
153 1HB HIS 23 HB2 HIS 23 -5.511 2.539 -2.512
154 2HB HIS 23 HB1 HIS 23 -4.505 3.394 -3.695
155 HD1 HIS 23 HD1 HIS 23 -7.434 4.325 -2.871
156 HD2 HIS 23 HD2 HIS 23 -6.473 2.076 -6.270
157 HE1 HIS 23 HE1 HIS 23 -9.292 4.666 -4.574
158 H LEU 24 H LEU 24 -4.729 0.043 -1.811
159 HA LEU 24 HA LEU 24 -2.075 0.590 -0.916
160 1HB LEU 24 HB2 LEU 24 -4.094 -0.182 0.447
161 2HB LEU 24 HB1 LEU 24 -3.788 -1.813 -0.189
162 HG LEU 24 HG LEU 24 -1.256 -1.064 0.677
163 1HD1 LEU 24 HD13 LEU 24 -3.371 0.258 2.395
164 2HD1 LEU 24 HD12 LEU 24 -1.852 -0.314 3.102
165 3HD1 LEU 24 HD11 LEU 24 -1.823 0.912 1.822
166 1HD2 LEU 24 HD22 LEU 24 -3.472 -2.464 2.241
167 2HD2 LEU 24 HD23 LEU 24 -2.375 -3.229 1.066
168 3HD2 LEU 24 HD21 LEU 24 -1.731 -2.580 2.592
169 H ALA 25 H ALA 25 -3.518 -2.045 -2.846
170 HA ALA 25 HA ALA 25 -1.315 -3.838 -2.754
171 1HB ALA 25 HB1 ALA 25 -3.610 -4.433 -3.478
172 2HB ALA 25 HB2 ALA 25 -3.417 -3.417 -4.925
173 3HB ALA 25 HB3 ALA 25 -2.406 -4.865 -4.714
174 H VAL 26 H VAL 26 -2.239 -1.459 -5.363
175 HA VAL 26 HA VAL 26 0.087 -1.984 -6.930
176 HB VAL 26 HB VAL 26 -0.460 0.157 -8.072
177 1HG1 VAL 26 HG13 VAL 26 -1.658 -1.967 -8.606
178 2HG1 VAL 26 HG11 VAL 26 -2.911 -1.538 -7.416
179 3HG1 VAL 26 HG12 VAL 26 -2.677 -0.531 -8.864
180 1HG2 VAL 26 HG22 VAL 26 -2.552 0.416 -5.870
181 2HG2 VAL 26 HG23 VAL 26 -1.172 1.504 -6.134
182 3HG2 VAL 26 HG21 VAL 26 -2.482 1.419 -7.331
183 H HIS 27 H HIS 27 -0.570 0.374 -4.327
184 HA HIS 27 HA HIS 27 1.813 1.895 -4.572
185 1HB HIS 27 HB2 HIS 27 -0.212 2.532 -3.300
186 2HB HIS 27 HB1 HIS 27 0.084 1.198 -2.161
187 HD1 HIS 27 HD1 HIS 27 1.995 4.308 -3.438
188 HD2 HIS 27 HD2 HIS 27 1.442 2.002 -0.004
189 HE1 HIS 27 HE1 HIS 27 3.291 5.421 -1.555
190 H LYS 28 H LYS 28 0.956 -0.887 -2.493
191 HA LYS 28 HA LYS 28 3.493 -1.114 -1.226
192 1HB LYS 28 H LYS 28 1.344 -1.960 -0.340
193 2HB LYS 28 H LYS 28 1.279 -3.158 -1.653
194 1HG LYS 28 H LYS 28 2.828 -4.500 -0.672
195 2HG LYS 28 H LYS 28 3.818 -3.126 -0.113
196 1HD LYS 28 H LYS 28 2.392 -2.738 1.773
197 2HD LYS 28 H LYS 28 1.125 -3.803 1.123
198 1HE LYS 28 H LYS 28 2.312 -4.982 2.902
199 2HE LYS 28 H LYS 28 2.684 -5.752 1.345
200 1HZ LYS 28 H LYS 28 4.413 -3.779 2.684
201 2HZ LYS 28 H LYS 28 4.614 -5.415 2.763
202 3HZ LYS 28 H LYS 28 4.768 -4.642 1.314
203 H HIS 29 H HIS 29 2.056 -2.642 -4.114
204 HA HIS 29 HA HIS 29 3.881 -4.668 -4.630
205 1HB HIS 29 HB2 HIS 29 2.050 -4.612 -6.042
206 2HB HIS 29 HB1 HIS 29 2.145 -2.865 -6.281
207 HD1 HIS 29 HD1 HIS 29 4.714 -5.649 -7.057
208 HD2 HIS 29 HD2 HIS 29 2.643 -2.520 -8.923
209 HE1 HIS 29 HE1 HIS 29 5.519 -5.508 -9.471
210 H LYS 30 H LYS 30 4.136 -1.191 -5.593
211 HA LYS 30 HA LYS 30 6.630 -1.476 -6.952
212 1HB LYS 30 H LYS 30 4.982 0.766 -5.844
213 2HB LYS 30 H LYS 30 6.714 1.102 -6.071
214 1HG LYS 30 H LYS 30 5.652 1.702 -8.135
215 2HG LYS 30 H LYS 30 6.473 0.153 -8.434
216 1HD LYS 30 H LYS 30 4.256 -0.999 -7.919
217 2HD LYS 30 H LYS 30 3.507 0.610 -7.884
218 1HE LYS 30 H LYS 30 3.156 -0.193 -10.099
219 2HE LYS 30 H LYS 30 4.503 0.958 -10.230
220 1HZ LYS 30 H LYS 30 6.003 -0.916 -10.162
221 2HZ LYS 30 H LYS 30 4.738 -1.974 -10.074
222 3HZ LYS 30 H LYS 30 4.952 -1.047 -11.424
223 H HIS 31 H HIS 31 5.848 -0.906 -3.483
224 HA HIS 31 HA HIS 31 8.564 -0.383 -2.690
225 1HB HIS 31 HB2 HIS 31 6.261 -1.528 -1.065
226 2HB HIS 31 HB1 HIS 31 7.745 -0.806 -0.422
227 HD1 HIS 31 HD1 HIS 31 7.831 1.684 -2.415
228 HD2 HIS 31 HD2 HIS 31 4.516 0.448 -0.180
229 HE1 HIS 31 HE1 HIS 31 6.302 3.694 -2.129
230 H GLU 32 H GLU 32 6.532 -3.347 -2.810
231 HA GLU 32 HA GLU 32 8.492 -5.104 -1.723
232 1HB GLU 32 H GLU 32 6.223 -5.608 -3.699
233 2HB GLU 32 H GLU 32 7.152 -6.884 -2.885
234 1HG GLU 32 H GLU 32 5.449 -4.749 -1.530
235 2HG GLU 32 H GLU 32 5.046 -6.466 -1.686
236 H MET 33 H MET 33 8.036 -3.682 -4.933
237 HA MET 33 HA MET 33 9.862 -5.486 -6.291
238 1HB MET 33 HB1 MET 33 7.896 -4.106 -7.265
239 2HB MET 33 HB2 MET 33 9.008 -2.723 -7.215
240 1HG MET 33 HG1 MET 33 10.657 -4.392 -8.426
241 2HG MET 33 HG2 MET 33 9.175 -5.257 -8.836
242 1HE MET 33 HE1 MET 33 7.385 -4.489 -10.457
243 2HE MET 33 HE2 MET 33 7.015 -3.142 -9.353
244 3HE MET 33 HE3 MET 33 7.227 -2.835 -11.093
245 H THR 34 H THR 34 11.164 -4.575 -3.975
246 HA THR 34 HA THR 34 13.079 -2.496 -4.881
247 HB THR 34 HB THR 34 13.950 -3.162 -2.424
248 HG1 THR 34 HG1 THR 34 11.170 -3.575 -2.168
249 1HG2 THR 34 HG23 THR 34 11.545 -1.434 -3.142
250 2HG2 THR 34 HG21 THR 34 12.337 -1.403 -1.548
251 3HG2 THR 34 HG22 THR 34 13.244 -0.926 -3.002
252 H LEU 35 H LEU 35 12.773 -5.927 -4.011
253 HA LEU 35 HA LEU 35 15.213 -6.525 -5.540
254 1HB LEU 35 HB2 LEU 35 15.411 -6.200 -2.784
255 2HB LEU 35 HB1 LEU 35 15.145 -7.948 -2.937
256 HG LEU 35 HG LEU 35 17.246 -6.378 -4.505
257 1HD1 LEU 35 HD11 LEU 35 17.731 -6.365 -2.080
258 2HD1 LEU 35 HD13 LEU 35 17.535 -8.134 -2.027
259 3HD1 LEU 35 HD12 LEU 35 18.875 -7.414 -2.951
260 1HD2 LEU 35 HD21 LEU 35 16.737 -9.364 -4.116
261 2HD2 LEU 35 HD23 LEU 35 16.548 -8.446 -5.629
262 3HD2 LEU 35 HD22 LEU 35 18.164 -8.675 -4.924
263 H LYS 36 H LYS 36 12.320 -6.865 -5.892
264 HA LYS 36 HA LYS 36 12.260 -9.823 -6.157
265 1HB LYS 36 H LYS 36 9.876 -8.207 -5.166
266 2HB LYS 36 H LYS 36 10.038 -9.975 -5.254
267 1HG LYS 36 H LYS 36 11.922 -9.806 -3.566
268 2HG LYS 36 H LYS 36 11.531 -8.077 -3.395
269 1HD LYS 36 H LYS 36 9.059 -9.016 -3.027
270 2HD LYS 36 H LYS 36 9.933 -10.497 -2.566
271 1HE LYS 36 H LYS 36 9.747 -9.342 -0.522
272 2HE LYS 36 H LYS 36 11.378 -8.903 -1.078
273 1HZ LYS 36 H LYS 36 10.202 -6.931 -2.116
274 2HZ LYS 36 H LYS 36 8.932 -7.298 -1.118
275 3HZ LYS 36 H LYS 36 10.407 -6.927 -0.476
276 H PHE 37 H PHE 37 10.228 -10.390 -7.549
277 HA PHE 37 HA PHE 37 10.444 -8.962 -10.034
278 1HB PHE 37 HB2 PHE 37 9.951 -11.368 -9.885
279 2HB PHE 37 HB1 PHE 37 8.431 -11.019 -9.044
280 HD1 PHE 37 HD1 PHE 37 10.242 -10.615 -12.287
281 HD2 PHE 37 HD2 PHE 37 6.447 -10.458 -10.251
282 HE1 PHE 37 HE1 PHE 37 9.073 -10.444 -14.474
283 HE2 PHE 37 HE2 PHE 37 5.283 -10.287 -12.438
284 HZ PHE 37 HZ PHE 37 6.594 -10.282 -14.549
285 H GLY 38 H GLY 38 8.185 -8.904 -7.277
286 1HA GLY 38 HA2 GLY 38 7.195 -6.304 -8.007
287 2HA GLY 38 HA1 GLY 38 5.997 -7.577 -8.334
No H/Q in entry = 287
Start of MODEL 7
1 1H MET 1 H3 MET 1 -20.052 -5.753 4.728
2 2H MET 1 H2 MET 1 -21.539 -5.754 5.443
3 3H MET 1 H1 MET 1 -21.247 -4.772 4.151
4 HA MET 1 HA MET 1 -21.259 -3.472 6.111
5 1HB MET 1 HB1 MET 1 -20.682 -5.312 7.665
6 2HB MET 1 HB2 MET 1 -19.038 -5.368 6.994
7 1HG MET 1 HG1 MET 1 -19.154 -4.087 9.121
8 2HG MET 1 HG2 MET 1 -18.585 -3.108 7.766
9 1HE MET 1 HE3 MET 1 -21.503 -3.979 10.164
10 2HE MET 1 HE1 MET 1 -22.776 -2.818 9.720
11 3HE MET 1 HE2 MET 1 -22.356 -4.143 8.612
12 H SER 2 H SER 2 -20.109 -1.558 5.969
13 HA SER 2 HA SER 2 -18.310 -1.272 3.746
14 1HB SER 2 HB1 SER 2 -19.865 0.505 4.522
15 2HB SER 2 HB2 SER 2 -18.948 0.633 6.044
16 HG SER 2 HG SER 2 -17.447 1.714 5.045
17 H ASP 3 H ASP 3 -16.130 -1.492 3.675
18 HA ASP 3 HA ASP 3 -14.693 -2.211 6.113
19 1HB ASP 3 H ASP 3 -14.333 -3.255 3.822
20 2HB ASP 3 H ASP 3 -13.586 -1.726 3.317
21 H ASP 4 H ASP 4 -15.212 -0.147 7.194
22 HA ASP 4 HA ASP 4 -14.122 2.336 6.196
23 1HB ASP 4 H ASP 4 -14.982 1.553 9.011
24 2HB ASP 4 H ASP 4 -14.784 3.204 8.386
25 H LYS 5 H LYS 5 -12.774 -0.415 7.841
26 HA LYS 5 HA LYS 5 -10.760 0.697 9.423
27 1HB LYS 5 H LYS 5 -11.265 -1.670 9.417
28 2HB LYS 5 H LYS 5 -10.812 -1.811 7.716
29 1HG LYS 5 H LYS 5 -8.721 -0.706 9.547
30 2HG LYS 5 H LYS 5 -9.131 -2.416 9.770
31 1HD LYS 5 H LYS 5 -8.211 -1.124 7.158
32 2HD LYS 5 H LYS 5 -7.253 -2.188 8.198
33 1HE LYS 5 H LYS 5 -8.016 -3.900 6.940
34 2HE LYS 5 H LYS 5 -9.581 -3.672 7.744
35 1HZ LYS 5 H LYS 5 -8.749 -2.345 5.250
36 2HZ LYS 5 H LYS 5 -9.745 -3.657 5.341
37 3HZ LYS 5 H LYS 5 -10.229 -2.212 5.974
38 HA PRO 6 HA PRO 6 -8.520 2.861 6.201
39 1HB PRO 6 HB1 PRO 6 -6.350 3.523 7.929
40 2HB PRO 6 HB2 PRO 6 -7.752 4.548 7.523
41 1HG PRO 6 HG2 PRO 6 -7.175 3.121 10.020
42 2HG PRO 6 HG1 PRO 6 -8.428 4.351 9.691
43 1HD PRO 6 HD1 PRO 6 -8.794 1.527 9.995
44 2HD PRO 6 HD2 PRO 6 -10.021 2.736 9.514
45 H PHE 7 H PHE 7 -7.237 1.903 4.698
46 HA PHE 7 HA PHE 7 -5.727 -0.497 5.406
47 1HB PHE 7 HB2 PHE 7 -6.095 1.046 2.810
48 2HB PHE 7 HB1 PHE 7 -5.177 -0.455 2.955
49 HD1 PHE 7 HD2 PHE 7 -8.604 0.988 3.472
50 HD2 PHE 7 HD1 PHE 7 -6.238 -2.548 2.800
51 HE1 PHE 7 HE2 PHE 7 -10.676 -0.331 3.119
52 HE2 PHE 7 HE1 PHE 7 -8.313 -3.864 2.443
53 HZ PHE 7 HZ PHE 7 -10.530 -2.754 2.593
54 H LEU 8 H LEU 8 -4.117 0.278 6.834
55 HA LEU 8 HA LEU 8 -2.275 2.378 5.889
56 1HB LEU 8 HB2 LEU 8 -2.647 0.807 8.458
57 2HB LEU 8 HB1 LEU 8 -1.208 1.816 8.184
58 HG LEU 8 HG LEU 8 -3.910 3.034 7.645
59 1HD1 LEU 8 HD13 LEU 8 -2.708 2.625 10.420
60 2HD1 LEU 8 HD12 LEU 8 -4.085 3.689 10.045
61 3HD1 LEU 8 HD11 LEU 8 -4.234 1.930 9.821
62 1HD2 LEU 8 HD23 LEU 8 -1.745 4.223 7.199
63 2HD2 LEU 8 HD22 LEU 8 -2.747 5.053 8.413
64 3HD2 LEU 8 HD21 LEU 8 -1.346 4.084 8.927
65 H CYS 9 H CYS 9 -0.645 1.823 4.537
66 HA CYS 9 HA CYS 9 0.294 -0.911 4.296
67 1HB CYS 9 HB2 CYS 9 0.333 0.587 2.375
68 2HB CYS 9 HB1 CYS 9 1.373 1.742 3.244
69 H THR 10 H THR 10 1.002 -1.512 6.409
70 HA THR 10 HA THR 10 2.827 -0.028 7.983
71 HB THR 10 HB THR 10 2.606 -3.063 7.793
72 HG1 THR 10 HG1 THR 10 0.945 -2.754 9.354
73 1HG2 THR 10 HG22 THR 10 3.284 -1.149 10.076
74 2HG2 THR 10 HG21 THR 10 3.153 -2.918 10.215
75 3HG2 THR 10 HG23 THR 10 4.437 -2.198 9.217
76 H ALA 11 H ALA 11 4.833 0.622 7.440
77 HA ALA 11 HA ALA 11 6.730 -1.291 6.302
78 1HB ALA 11 HB2 ALA 11 5.365 0.706 4.653
79 2HB ALA 11 HB1 ALA 11 7.122 0.971 4.674
80 3HB ALA 11 HB3 ALA 11 6.465 -0.602 4.165
81 HA PRO 12 HA PRO 12 9.486 0.996 8.797
82 1HB PRO 12 HB1 PRO 12 11.770 1.217 7.169
83 2HB PRO 12 HB2 PRO 12 11.333 -0.194 8.173
84 1HG PRO 12 HG2 PRO 12 11.090 0.179 5.224
85 2HG PRO 12 HG1 PRO 12 11.244 -1.332 6.169
86 1HD PRO 12 HD1 PRO 12 8.878 -0.344 5.017
87 2HD PRO 12 HD2 PRO 12 8.966 -1.571 6.314
88 H GLY 13 H GLY 13 10.513 2.220 5.559
89 1HA GLY 13 HA2 GLY 13 10.330 4.983 6.591
90 2HA GLY 13 HA1 GLY 13 11.131 4.446 5.101
91 H CYS 14 H CYS 14 7.828 3.427 5.979
92 HA CYS 14 HA CYS 14 6.544 5.515 4.415
93 1HB CYS 14 HB2 CYS 14 7.479 4.132 2.589
94 2HB CYS 14 HB1 CYS 14 6.682 2.695 3.273
95 H GLY 15 H GLY 15 4.374 5.642 4.903
96 1HA GLY 15 HA2 GLY 15 2.972 3.338 6.054
97 2HA GLY 15 HA1 GLY 15 3.259 4.692 7.169
98 H GLN 16 H GLN 16 2.322 4.367 3.680
99 HA GLN 16 HA GLN 16 0.538 6.649 3.924
100 1HB GLN 16 HB1 GLN 16 1.966 6.026 1.897
101 2HB GLN 16 HB2 GLN 16 0.790 4.729 1.586
102 1HG GLN 16 HG1 GLN 16 -1.020 6.336 1.368
103 2HG GLN 16 HG2 GLN 16 0.024 7.662 1.922
104 HE2 GLN 16 HE22 GLN 16 -0.168 7.970 -1.765
105 HE2 GLN 16 HE21 GLN 16 -1.259 8.101 -0.403
106 H ARG 17 H ARG 17 -1.734 6.612 3.560
107 HA ARG 17 HA ARG 17 -3.023 4.037 4.341
108 1HB ARG 17 H ARG 17 -3.084 5.766 6.104
109 2HB ARG 17 H ARG 17 -3.839 6.905 4.974
110 1HG ARG 17 H ARG 17 -5.195 4.251 5.242
111 2HG ARG 17 H ARG 17 -5.243 5.290 6.683
112 1HD ARG 17 H ARG 17 -6.320 7.067 5.511
113 2HD ARG 17 H ARG 17 -5.974 6.346 3.924
114 HE ARG 17 H ARG 17 -7.520 4.478 5.354
115 1HH1 ARG 17 H ARG 17 -7.819 7.723 3.971
116 2HH1 ARG 17 H ARG 17 -9.549 7.617 3.748
117 1HH2 ARG 17 H ARG 17 -9.811 4.352 5.083
118 2HH2 ARG 17 H ARG 17 -10.681 5.681 4.356
119 H PHE 18 H PHE 18 -4.969 3.484 3.348
120 HA PHE 18 HA PHE 18 -5.966 5.244 1.181
121 1HB PHE 18 HB2 PHE 18 -5.391 2.294 0.752
122 2HB PHE 18 HB1 PHE 18 -5.920 3.486 -0.446
123 HD1 PHE 18 HD2 PHE 18 -3.084 2.438 1.713
124 HD2 PHE 18 HD1 PHE 18 -4.326 4.907 -1.578
125 HE1 PHE 18 HE2 PHE 18 -0.714 2.928 1.199
126 HE2 PHE 18 HE1 PHE 18 -1.945 5.406 -2.094
127 HZ PHE 18 HZ PHE 18 -0.143 4.420 -0.693
128 H THR 19 H THR 19 -8.104 4.393 0.352
129 HA THR 19 HA THR 19 -9.672 3.455 2.678
130 HB THR 19 HB THR 19 -10.243 5.576 1.419
131 HG1 THR 19 HG1 THR 19 -12.102 3.432 1.529
132 1HG2 THR 19 HG23 THR 19 -9.737 4.587 -0.870
133 2HG2 THR 19 HG21 THR 19 -11.239 3.645 -0.718
134 3HG2 THR 19 HG22 THR 19 -11.304 5.420 -0.747
135 H ASN 20 H ASN 20 -8.208 2.121 -0.101
136 HA ASN 20 HA ASN 20 -10.031 -0.237 0.054
137 1HB ASN 20 HB2 ASN 20 -8.899 1.008 -2.488
138 2HB ASN 20 HB1 ASN 20 -9.814 -0.509 -2.397
139 1HD2 ASN 20 HD21 ASN 20 -11.878 2.671 -3.226
140 2HD2 ASN 20 HD22 ASN 20 -10.228 2.272 -3.667
141 H GLU 21 H GLU 21 -9.012 -2.200 -0.825
142 HA GLU 21 HA GLU 21 -6.219 -2.413 -0.011
143 1HB GLU 21 H GLU 21 -8.340 -4.126 0.055
144 2HB GLU 21 H GLU 21 -7.592 -4.638 -1.473
145 1HG GLU 21 H GLU 21 -6.030 -4.323 1.129
146 2HG GLU 21 H GLU 21 -6.788 -5.848 0.636
147 H ASP 22 H ASP 22 -8.058 -1.815 -2.939
148 HA ASP 22 HA ASP 22 -6.291 -2.871 -4.896
149 1HB ASP 22 H ASP 22 -8.507 -2.178 -5.511
150 2HB ASP 22 H ASP 22 -8.246 -0.542 -4.866
151 H HIS 23 H HIS 23 -6.519 0.401 -3.434
152 HA HIS 23 HA HIS 23 -4.296 1.453 -4.902
153 1HB HIS 23 HB2 HIS 23 -5.311 2.438 -2.226
154 2HB HIS 23 HB1 HIS 23 -4.558 3.378 -3.524
155 HD1 HIS 23 HD1 HIS 23 -6.535 1.840 -5.757
156 HD2 HIS 23 HD2 HIS 23 -7.634 4.095 -2.395
157 HE1 HIS 23 HE1 HIS 23 -8.900 2.694 -6.133
158 H LEU 24 H LEU 24 -4.686 -0.269 -1.829
159 HA LEU 24 HA LEU 24 -2.028 0.243 -0.856
160 1HB LEU 24 HB2 LEU 24 -4.170 -0.621 0.382
161 2HB LEU 24 HB1 LEU 24 -3.672 -2.216 -0.217
162 HG LEU 24 HG LEU 24 -1.294 -1.516 0.793
163 1HD1 LEU 24 HD12 LEU 24 -3.277 0.325 2.148
164 2HD1 LEU 24 HD11 LEU 24 -1.771 -0.182 2.935
165 3HD1 LEU 24 HD13 LEU 24 -1.712 0.726 1.411
166 1HD2 LEU 24 HD22 LEU 24 -2.760 -3.390 1.580
167 2HD2 LEU 24 HD23 LEU 24 -1.937 -2.565 2.922
168 3HD2 LEU 24 HD21 LEU 24 -3.655 -2.236 2.593
169 H ALA 25 H ALA 25 -3.533 -2.196 -2.991
170 HA ALA 25 HA ALA 25 -1.438 -4.096 -3.005
171 1HB ALA 25 HB2 ALA 25 -3.718 -4.465 -3.916
172 2HB ALA 25 HB3 ALA 25 -3.356 -3.343 -5.248
173 3HB ALA 25 HB1 ALA 25 -2.453 -4.867 -5.100
174 H VAL 26 H VAL 26 -2.112 -1.490 -5.442
175 HA VAL 26 HA VAL 26 0.289 -1.898 -6.900
176 HB VAL 26 HB VAL 26 -0.140 0.370 -7.825
177 1HG1 VAL 26 HG13 VAL 26 -1.393 -1.642 -8.628
178 2HG1 VAL 26 HG12 VAL 26 -2.687 -1.272 -7.463
179 3HG1 VAL 26 HG11 VAL 26 -2.331 -0.140 -8.788
180 1HG2 VAL 26 HG21 VAL 26 -2.315 0.469 -5.688
181 2HG2 VAL 26 HG22 VAL 26 -0.887 1.523 -5.783
182 3HG2 VAL 26 HG23 VAL 26 -2.150 1.620 -7.029
183 H HIS 27 H HIS 27 -0.446 0.111 -4.045
184 HA HIS 27 HA HIS 27 1.996 1.575 -3.986
185 1HB HIS 27 HB2 HIS 27 -0.044 2.174 -2.752
186 2HB HIS 27 HB1 HIS 27 0.095 0.692 -1.781
187 HD1 HIS 27 HD1 HIS 27 2.230 3.838 -2.503
188 HD2 HIS 27 HD2 HIS 27 1.388 1.091 0.515
189 HE1 HIS 27 HE1 HIS 27 3.464 4.600 -0.409
190 H LYS 28 H LYS 28 0.976 -1.516 -2.455
191 HA LYS 28 HA LYS 28 3.426 -1.988 -1.069
192 1HB LYS 28 H LYS 28 1.110 -3.710 -1.971
193 2HB LYS 28 H LYS 28 2.537 -4.430 -1.190
194 1HG LYS 28 H LYS 28 2.254 -2.870 0.732
195 2HG LYS 28 H LYS 28 0.791 -2.214 -0.024
196 1HD LYS 28 H LYS 28 1.219 -5.110 0.837
197 2HD LYS 28 H LYS 28 0.229 -3.901 1.685
198 1HE LYS 28 H LYS 28 -1.174 -3.685 -0.399
199 2HE LYS 28 H LYS 28 -0.265 -5.036 -1.102
200 1HZ LYS 28 H LYS 28 -1.659 -5.250 1.458
201 2HZ LYS 28 H LYS 28 -2.404 -5.573 0.020
202 3HZ LYS 28 H LYS 28 -1.093 -6.464 0.497
203 H HIS 29 H HIS 29 2.233 -2.884 -4.339
204 HA HIS 29 HA HIS 29 4.444 -4.554 -5.010
205 1HB HIS 29 HB2 HIS 29 2.283 -4.478 -6.235
206 2HB HIS 29 HB1 HIS 29 2.684 -2.853 -6.817
207 HD1 HIS 29 HD1 HIS 29 5.538 -5.297 -6.689
208 HD2 HIS 29 HD2 HIS 29 2.705 -3.979 -9.484
209 HE1 HIS 29 HE1 HIS 29 6.300 -6.069 -8.990
210 H LYS 30 H LYS 30 3.906 -1.013 -5.194
211 HA LYS 30 HA LYS 30 6.172 -0.354 -6.750
212 1HB LYS 30 H LYS 30 4.243 1.157 -6.004
213 2HB LYS 30 H LYS 30 5.083 1.298 -4.443
214 1HG LYS 30 H LYS 30 7.104 2.143 -5.610
215 2HG LYS 30 H LYS 30 6.257 2.008 -7.169
216 1HD LYS 30 H LYS 30 4.498 3.579 -6.294
217 2HD LYS 30 H LYS 30 5.468 3.788 -4.816
218 1HE LYS 30 H LYS 30 6.424 4.394 -7.653
219 2HE LYS 30 H LYS 30 5.855 5.608 -6.487
220 1HZ LYS 30 H LYS 30 7.640 4.926 -5.030
221 2HZ LYS 30 H LYS 30 8.186 3.851 -6.156
222 3HZ LYS 30 H LYS 30 8.217 5.468 -6.478
223 H HIS 31 H HIS 31 5.809 -1.083 -3.271
224 HA HIS 31 HA HIS 31 8.567 -0.430 -2.627
225 1HB HIS 31 HB2 HIS 31 6.485 -2.122 -1.190
226 2HB HIS 31 HB1 HIS 31 8.036 -1.619 -0.506
227 HD1 HIS 31 HD1 HIS 31 8.217 1.322 -1.113
228 HD2 HIS 31 HD2 HIS 31 4.609 -0.493 0.025
229 HE1 HIS 31 HE1 HIS 31 6.707 3.129 -0.157
230 H GLU 32 H GLU 32 6.700 -3.501 -2.866
231 HA GLU 32 HA GLU 32 9.182 -5.050 -3.096
232 1HB GLU 32 H GLU 32 7.078 -5.698 -1.744
233 2HB GLU 32 H GLU 32 6.319 -6.055 -3.312
234 1HG GLU 32 H GLU 32 7.266 -8.113 -2.431
235 2HG GLU 32 H GLU 32 8.251 -7.604 -3.817
236 H MET 33 H MET 33 9.345 -3.426 -5.137
237 HA MET 33 HA MET 33 7.935 -4.458 -7.490
238 1HB MET 33 HB1 MET 33 9.125 -2.016 -6.765
239 2HB MET 33 HB2 MET 33 10.197 -2.677 -8.017
240 1HG MET 33 HG2 MET 33 7.184 -2.328 -8.230
241 2HG MET 33 HG1 MET 33 8.404 -1.308 -9.004
242 1HE MET 33 HE1 MET 33 5.913 -2.665 -10.448
243 2HE MET 33 HE2 MET 33 7.083 -1.615 -11.282
244 3HE MET 33 HE3 MET 33 6.661 -3.200 -11.972
245 H THR 34 H THR 34 8.562 -6.314 -8.412
246 HA THR 34 HA THR 34 11.019 -7.628 -7.871
247 HB THR 34 HB THR 34 10.320 -9.038 -9.873
248 HG1 THR 34 HG1 THR 34 9.218 -7.517 -11.065
249 1HG2 THR 34 HG22 THR 34 9.574 -9.520 -7.549
250 2HG2 THR 34 HG21 THR 34 8.181 -8.437 -7.779
251 3HG2 THR 34 HG23 THR 34 8.316 -9.929 -8.739
252 H LEU 35 H LEU 35 10.007 -5.396 -10.469
253 HA LEU 35 HA LEU 35 12.214 -5.786 -12.202
254 1HB LEU 35 HB1 LEU 35 9.903 -4.386 -12.337
255 2HB LEU 35 HB2 LEU 35 10.989 -3.055 -11.894
256 HG LEU 35 HG LEU 35 10.872 -3.122 -14.299
257 1HD1 LEU 35 HD12 LEU 35 13.162 -2.844 -13.218
258 2HD1 LEU 35 HD13 LEU 35 13.468 -4.553 -13.617
259 3HD1 LEU 35 HD11 LEU 35 13.173 -3.377 -14.915
260 1HD2 LEU 35 HD21 LEU 35 10.042 -5.513 -14.400
261 2HD2 LEU 35 HD22 LEU 35 11.246 -5.091 -15.639
262 3HD2 LEU 35 HD23 LEU 35 11.729 -6.045 -14.221
263 H LYS 36 H LYS 36 11.674 -3.333 -9.601
264 HA LYS 36 HA LYS 36 14.534 -3.326 -8.987
265 1HB LYS 36 H LYS 36 14.372 -1.753 -10.917
266 2HB LYS 36 H LYS 36 13.161 -0.813 -10.019
267 1HG LYS 36 H LYS 36 14.965 -0.691 -8.132
268 2HG LYS 36 H LYS 36 16.103 -1.233 -9.377
269 1HD LYS 36 H LYS 36 16.108 1.222 -9.209
270 2HD LYS 36 H LYS 36 15.494 0.705 -10.794
271 1HE LYS 36 H LYS 36 14.211 2.591 -9.561
272 2HE LYS 36 H LYS 36 13.253 1.264 -10.239
273 1HZ LYS 36 H LYS 36 14.113 1.464 -7.429
274 2HZ LYS 36 H LYS 36 12.611 1.846 -7.997
275 3HZ LYS 36 H LYS 36 13.143 0.287 -8.075
276 H PHE 37 H PHE 37 14.128 -3.826 -6.872
277 HA PHE 37 HA PHE 37 11.952 -2.851 -5.331
278 1HB PHE 37 HB2 PHE 37 13.323 -4.867 -4.828
279 2HB PHE 37 HB1 PHE 37 14.694 -3.822 -4.427
280 HD1 PHE 37 HD2 PHE 37 14.585 -2.330 -2.407
281 HD2 PHE 37 HD1 PHE 37 11.527 -5.237 -3.280
282 HE1 PHE 37 HE2 PHE 37 13.765 -2.171 -0.069
283 HE2 PHE 37 HE1 PHE 37 10.711 -5.076 -0.940
284 HZ PHE 37 HZ PHE 37 11.828 -3.543 0.666
285 H GLY 38 H GLY 38 15.446 -1.908 -5.167
286 1HA GLY 38 HA2 GLY 38 14.751 0.524 -3.673
287 2HA GLY 38 HA1 GLY 38 16.379 -0.062 -4.085
No H/Q in entry = 287
Start of MODEL 8
1 1H MET 1 H1 MET 1 -14.010 6.954 15.250
2 2H MET 1 H2 MET 1 -13.012 6.158 16.297
3 3H MET 1 H3 MET 1 -12.624 6.255 14.696
4 HA MET 1 HA MET 1 -13.398 4.095 15.095
5 1HB MET 1 HB1 MET 1 -15.592 3.668 16.054
6 2HB MET 1 HB2 MET 1 -14.648 4.672 17.177
7 1HG MET 1 HG2 MET 1 -15.789 6.703 16.205
8 2HG MET 1 HG1 MET 1 -16.816 5.619 15.255
9 1HE MET 1 HE3 MET 1 -18.584 4.034 16.182
10 2HE MET 1 HE1 MET 1 -17.440 3.221 17.275
11 3HE MET 1 HE2 MET 1 -18.990 3.825 17.901
12 H SER 2 H SER 2 -15.061 2.956 13.732
13 HA SER 2 HA SER 2 -15.981 2.664 11.656
14 1HB SER 2 HB2 SER 2 -17.809 3.923 12.831
15 2HB SER 2 HB1 SER 2 -17.158 5.434 12.154
16 HG SER 2 HG SER 2 -17.485 4.555 10.077
17 H ASP 3 H ASP 3 -13.364 3.365 11.461
18 HA ASP 3 HA ASP 3 -13.015 5.669 9.697
19 1HB ASP 3 H ASP 3 -11.347 4.947 11.422
20 2HB ASP 3 H ASP 3 -11.092 3.446 10.512
21 H ASP 4 H ASP 4 -14.909 4.200 8.481
22 HA ASP 4 HA ASP 4 -15.490 2.900 6.674
23 1HB ASP 4 H ASP 4 -13.027 4.376 5.652
24 2HB ASP 4 H ASP 4 -14.172 3.503 4.608
25 H LYS 5 H LYS 5 -12.423 2.536 5.207
26 HA LYS 5 HA LYS 5 -12.013 -0.165 6.397
27 1HB LYS 5 H LYS 5 -12.049 0.595 3.452
28 2HB LYS 5 H LYS 5 -11.521 -0.978 4.092
29 1HG LYS 5 H LYS 5 -13.785 -1.234 5.165
30 2HG LYS 5 H LYS 5 -14.302 0.258 4.350
31 1HD LYS 5 H LYS 5 -13.175 -2.151 2.852
32 2HD LYS 5 H LYS 5 -14.910 -1.927 3.168
33 1HE LYS 5 H LYS 5 -14.852 -0.867 1.139
34 2HE LYS 5 H LYS 5 -14.353 0.518 2.131
35 1HZ LYS 5 H LYS 5 -12.487 -1.348 0.840
36 2HZ LYS 5 H LYS 5 -12.947 0.099 0.190
37 3HZ LYS 5 H LYS 5 -12.107 0.063 1.610
38 HA PRO 6 HA PRO 6 -8.189 2.315 6.525
39 1HB PRO 6 HB2 PRO 6 -7.187 0.871 8.751
40 2HB PRO 6 HB1 PRO 6 -8.019 2.451 8.789
41 1HG PRO 6 HG1 PRO 6 -9.018 -0.173 9.636
42 2HG PRO 6 HG2 PRO 6 -9.749 1.439 9.878
43 1HD PRO 6 HD1 PRO 6 -10.522 -0.608 7.987
44 2HD PRO 6 HD2 PRO 6 -11.248 1.009 8.219
45 H PHE 7 H PHE 7 -6.330 1.860 5.459
46 HA PHE 7 HA PHE 7 -5.308 -0.927 5.421
47 1HB PHE 7 HB2 PHE 7 -5.893 0.819 2.999
48 2HB PHE 7 HB1 PHE 7 -4.865 -0.620 2.955
49 HD1 PHE 7 HD1 PHE 7 -5.934 -2.846 3.845
50 HD2 PHE 7 HD2 PHE 7 -8.183 0.598 2.577
51 HE1 PHE 7 HE1 PHE 7 -7.927 -4.283 3.481
52 HE2 PHE 7 HE2 PHE 7 -10.171 -0.841 2.210
53 HZ PHE 7 HZ PHE 7 -10.048 -3.279 2.663
54 H LEU 8 H LEU 8 -3.706 -0.118 6.889
55 HA LEU 8 HA LEU 8 -2.030 2.129 6.022
56 1HB LEU 8 HB2 LEU 8 -2.633 1.890 8.391
57 2HB LEU 8 HB1 LEU 8 -1.921 0.261 8.431
58 HG LEU 8 HG LEU 8 0.314 1.243 7.879
59 1HD1 LEU 8 HD11 LEU 8 -1.268 3.846 8.020
60 2HD1 LEU 8 HD12 LEU 8 0.504 3.776 8.166
61 3HD1 LEU 8 HD13 LEU 8 -0.284 3.241 6.667
62 1HD2 LEU 8 HD22 LEU 8 -0.376 0.894 10.236
63 2HD2 LEU 8 HD23 LEU 8 0.683 2.315 10.073
64 3HD2 LEU 8 HD21 LEU 8 -1.073 2.531 10.272
65 H CYS 9 H CYS 9 -0.466 1.798 4.531
66 HA CYS 9 HA CYS 9 0.528 -0.796 3.825
67 1HB CYS 9 HB2 CYS 9 0.560 1.039 2.232
68 2HB CYS 9 HB1 CYS 9 1.586 2.013 3.307
69 H THR 10 H THR 10 2.065 -2.025 4.770
70 HA THR 10 HA THR 10 3.550 -0.944 7.055
71 HB THR 10 HB THR 10 3.735 -3.714 5.798
72 HG1 THR 10 HG1 THR 10 1.902 -2.678 7.706
73 1HG2 THR 10 HG22 THR 10 4.166 -2.650 8.629
74 2HG2 THR 10 HG21 THR 10 4.309 -4.353 8.128
75 3HG2 THR 10 HG23 THR 10 5.447 -3.141 7.495
76 H ALA 11 H ALA 11 4.740 0.682 5.702
77 HA ALA 11 HA ALA 11 7.173 -0.574 4.533
78 1HB ALA 11 HB3 ALA 11 5.525 1.720 3.404
79 2HB ALA 11 HB2 ALA 11 7.157 1.294 2.841
80 3HB ALA 11 HB1 ALA 11 5.820 0.137 2.649
81 HA PRO 12 HA PRO 12 9.205 2.063 7.386
82 1HB PRO 12 HB1 PRO 12 11.531 2.628 5.873
83 2HB PRO 12 HB2 PRO 12 11.289 1.237 6.969
84 1HG PRO 12 HG1 PRO 12 11.222 1.336 3.998
85 2HG PRO 12 HG2 PRO 12 11.511 -0.058 5.080
86 1HD PRO 12 HD1 PRO 12 9.137 0.464 3.665
87 2HD PRO 12 HD2 PRO 12 9.293 -0.640 5.065
88 H GLY 13 H GLY 13 8.205 4.018 7.634
89 1HA GLY 13 HA1 GLY 13 8.037 6.314 7.451
90 2HA GLY 13 HA2 GLY 13 9.205 6.282 6.115
91 H CYS 14 H CYS 14 7.806 4.457 4.361
92 HA CYS 14 HA CYS 14 5.866 6.380 3.275
93 1HB CYS 14 HB2 CYS 14 7.674 5.041 2.003
94 2HB CYS 14 HB1 CYS 14 6.555 3.673 2.116
95 H GLY 15 H GLY 15 4.902 5.406 5.682
96 1HA GLY 15 HA1 GLY 15 3.184 3.119 5.132
97 2HA GLY 15 HA2 GLY 15 3.293 4.038 6.646
98 H GLN 16 H GLN 16 2.270 4.475 3.202
99 HA GLN 16 HA GLN 16 0.417 6.597 3.898
100 1HB GLN 16 HB1 GLN 16 0.966 4.973 1.390
101 2HB GLN 16 HB2 GLN 16 -0.323 6.197 1.475
102 1HG GLN 16 HG2 GLN 16 1.294 7.932 2.064
103 2HG GLN 16 HG1 GLN 16 2.603 6.734 2.147
104 HE2 GLN 16 HE22 GLN 16 -0.045 7.330 -0.246
105 HE2 GLN 16 HE21 GLN 16 1.016 7.476 -1.629
106 H ARG 17 H ARG 17 -1.908 6.473 3.480
107 HA ARG 17 HA ARG 17 -3.044 3.784 4.084
108 1HB ARG 17 H ARG 17 -3.042 5.212 6.096
109 2HB ARG 17 H ARG 17 -3.885 6.494 5.201
110 1HG ARG 17 H ARG 17 -5.172 3.789 5.142
111 2HG ARG 17 H ARG 17 -5.163 4.612 6.714
112 1HD ARG 17 H ARG 17 -6.263 6.569 5.778
113 2HD ARG 17 H ARG 17 -6.121 5.925 4.136
114 HE ARG 17 H ARG 17 -7.863 4.390 4.552
115 1HH1 ARG 17 H ARG 17 -6.904 5.984 7.559
116 2HH1 ARG 17 H ARG 17 -8.424 5.672 8.374
117 1HH2 ARG 17 H ARG 17 -9.943 4.157 5.571
118 2HH2 ARG 17 H ARG 17 -10.211 4.804 7.181
119 H PHE 18 H PHE 18 -5.076 3.340 3.161
120 HA PHE 18 HA PHE 18 -6.126 5.329 1.225
121 1HB PHE 18 HB2 PHE 18 -5.573 2.421 0.538
122 2HB PHE 18 HB1 PHE 18 -6.177 3.686 -0.545
123 HD1 PHE 18 HD2 PHE 18 -3.215 2.521 1.381
124 HD2 PHE 18 HD1 PHE 18 -4.667 5.232 -1.630
125 HE1 PHE 18 HE2 PHE 18 -0.878 3.100 0.779
126 HE2 PHE 18 HE1 PHE 18 -2.326 5.808 -2.233
127 HZ PHE 18 HZ PHE 18 -0.433 4.742 -1.022
128 H THR 19 H THR 19 -8.284 4.542 0.343
129 HA THR 19 HA THR 19 -9.874 3.550 2.612
130 HB THR 19 HB THR 19 -10.540 5.593 1.335
131 HG1 THR 19 HG1 THR 19 -12.253 3.334 1.202
132 1HG2 THR 19 HG21 THR 19 -9.772 4.802 -0.920
133 2HG2 THR 19 HG23 THR 19 -11.106 3.626 -0.932
134 3HG2 THR 19 HG22 THR 19 -11.456 5.369 -0.925
135 H ASN 20 H ASN 20 -8.527 2.387 -0.401
136 HA ASN 20 HA ASN 20 -10.109 -0.134 -0.114
137 1HB ASN 20 HB2 ASN 20 -9.301 1.414 -2.599
138 2HB ASN 20 HB1 ASN 20 -9.716 -0.307 -2.652
139 1HD2 ASN 20 HD22 ASN 20 -12.822 1.485 -3.504
140 2HD2 ASN 20 HD21 ASN 20 -11.252 1.162 -4.206
141 H GLU 21 H GLU 21 -8.979 -2.059 -0.517
142 HA GLU 21 HA GLU 21 -6.171 -1.999 0.097
143 1HB GLU 21 H GLU 21 -7.953 -3.831 0.589
144 2HB GLU 21 H GLU 21 -7.668 -4.359 -1.084
145 1HG GLU 21 H GLU 21 -5.267 -4.635 -0.611
146 2HG GLU 21 H GLU 21 -5.503 -4.023 1.041
147 H ASP 22 H ASP 22 -8.093 -1.946 -2.850
148 HA ASP 22 HA ASP 22 -6.295 -2.953 -4.753
149 1HB ASP 22 H ASP 22 -8.147 -0.548 -5.000
150 2HB ASP 22 H ASP 22 -7.526 -1.542 -6.334
151 H HIS 23 H HIS 23 -6.557 0.337 -3.339
152 HA HIS 23 HA HIS 23 -4.455 1.468 -4.935
153 1HB HIS 23 HB2 HIS 23 -5.438 2.349 -2.201
154 2HB HIS 23 HB1 HIS 23 -4.620 3.344 -3.417
155 HD1 HIS 23 HD1 HIS 23 -6.475 2.090 -5.839
156 HD2 HIS 23 HD2 HIS 23 -7.773 3.959 -2.323
157 HE1 HIS 23 HE1 HIS 23 -8.823 2.978 -6.255
158 H LEU 24 H LEU 24 -4.632 -0.234 -1.826
159 HA LEU 24 HA LEU 24 -1.921 0.323 -1.030
160 1HB LEU 24 HB2 LEU 24 -3.969 -0.529 0.359
161 2HB LEU 24 HB1 LEU 24 -3.481 -2.134 -0.221
162 HG LEU 24 HG LEU 24 -1.046 -1.284 0.592
163 1HD1 LEU 24 HD12 LEU 24 -3.070 0.387 2.105
164 2HD1 LEU 24 HD11 LEU 24 -1.489 -0.023 2.794
165 3HD1 LEU 24 HD13 LEU 24 -1.583 0.913 1.289
166 1HD2 LEU 24 HD21 LEU 24 -3.255 -2.257 2.468
167 2HD2 LEU 24 HD23 LEU 24 -2.243 -3.288 1.428
168 3HD2 LEU 24 HD22 LEU 24 -1.506 -2.384 2.772
169 H ALA 25 H ALA 25 -3.490 -2.070 -3.131
170 HA ALA 25 HA ALA 25 -1.385 -3.986 -3.177
171 1HB ALA 25 HB2 ALA 25 -3.720 -4.360 -3.992
172 2HB ALA 25 HB3 ALA 25 -3.377 -3.295 -5.375
173 3HB ALA 25 HB1 ALA 25 -2.483 -4.820 -5.185
174 H VAL 26 H VAL 26 -2.218 -1.430 -5.618
175 HA VAL 26 HA VAL 26 0.157 -1.783 -7.136
176 HB VAL 26 HB VAL 26 -0.390 0.438 -8.105
177 1HG1 VAL 26 HG11 VAL 26 -1.584 -1.643 -8.818
178 2HG1 VAL 26 HG13 VAL 26 -2.860 -1.288 -7.629
179 3HG1 VAL 26 HG12 VAL 26 -2.584 -0.181 -8.993
180 1HG2 VAL 26 HG23 VAL 26 -2.504 0.521 -5.905
181 2HG2 VAL 26 HG22 VAL 26 -1.126 1.630 -6.082
182 3HG2 VAL 26 HG21 VAL 26 -2.429 1.632 -7.288
183 H HIS 27 H HIS 27 -0.569 0.254 -4.300
184 HA HIS 27 HA HIS 27 1.803 1.835 -4.398
185 1HB HIS 27 HB2 HIS 27 -0.140 2.512 -3.135
186 2HB HIS 27 HB1 HIS 27 -0.084 1.030 -2.166
187 HD1 HIS 27 HD1 HIS 27 2.144 4.098 -2.835
188 HD2 HIS 27 HD2 HIS 27 1.253 1.333 0.168
189 HE1 HIS 27 HE1 HIS 27 3.410 4.794 -0.747
190 H LYS 28 H LYS 28 0.979 -1.017 -2.320
191 HA LYS 28 HA LYS 28 3.613 -1.200 -1.235
192 1HB LYS 28 H LYS 28 2.796 -2.921 0.032
193 2HB LYS 28 H LYS 28 1.259 -2.172 -0.436
194 1HG LYS 28 H LYS 28 1.146 -3.793 -2.380
195 2HG LYS 28 H LYS 28 2.594 -4.596 -1.724
196 1HD LYS 28 H LYS 28 1.271 -4.784 0.491
197 2HD LYS 28 H LYS 28 -0.163 -4.358 -0.472
198 1HE LYS 28 H LYS 28 -0.181 -6.705 -0.556
199 2HE LYS 28 H LYS 28 0.641 -6.276 -2.072
200 1HZ LYS 28 H LYS 28 1.968 -7.047 0.439
201 2HZ LYS 28 H LYS 28 1.780 -8.011 -0.882
202 3HZ LYS 28 H LYS 28 2.739 -6.670 -0.972
203 H HIS 29 H HIS 29 2.134 -2.442 -4.194
204 HA HIS 29 HA HIS 29 3.994 -4.542 -4.709
205 1HB HIS 29 HB2 HIS 29 1.933 -4.330 -5.968
206 2HB HIS 29 HB1 HIS 29 2.410 -2.733 -6.569
207 HD1 HIS 29 HD1 HIS 29 3.459 -2.720 -8.848
208 HD2 HIS 29 HD2 HIS 29 3.893 -6.421 -6.939
209 HE1 HIS 29 HE1 HIS 29 4.590 -4.304 -10.484
210 H LYS 30 H LYS 30 4.086 -1.011 -5.300
211 HA LYS 30 HA LYS 30 6.454 -1.017 -6.898
212 1HB LYS 30 H LYS 30 4.684 0.844 -6.518
213 2HB LYS 30 H LYS 30 5.612 1.237 -5.051
214 1HG LYS 30 H LYS 30 7.673 1.460 -6.460
215 2HG LYS 30 H LYS 30 6.687 1.147 -7.909
216 1HD LYS 30 H LYS 30 5.225 3.123 -7.187
217 2HD LYS 30 H LYS 30 6.480 3.501 -5.985
218 1HE LYS 30 H LYS 30 6.862 3.328 -9.009
219 2HE LYS 30 H LYS 30 6.830 4.816 -8.040
220 1HZ LYS 30 H LYS 30 8.763 3.921 -6.853
221 2HZ LYS 30 H LYS 30 8.835 2.670 -7.929
222 3HZ LYS 30 H LYS 30 9.054 4.221 -8.452
223 H HIS 31 H HIS 31 5.882 -0.920 -3.366
224 HA HIS 31 HA HIS 31 8.682 -0.443 -2.717
225 1HB HIS 31 HB2 HIS 31 6.354 -1.474 -1.040
226 2HB HIS 31 HB1 HIS 31 7.919 -0.928 -0.411
227 HD1 HIS 31 HD1 HIS 31 8.403 1.694 -1.838
228 HD2 HIS 31 HD2 HIS 31 4.605 0.584 -0.434
229 HE1 HIS 31 HE1 HIS 31 7.036 3.815 -1.544
230 H GLU 32 H GLU 32 6.461 -3.215 -2.396
231 HA GLU 32 HA GLU 32 8.594 -5.131 -1.914
232 1HB GLU 32 H GLU 32 6.197 -5.053 -0.926
233 2HB GLU 32 H GLU 32 5.652 -5.650 -2.508
234 1HG GLU 32 H GLU 32 7.150 -7.623 -2.259
235 2HG GLU 32 H GLU 32 7.670 -7.016 -0.672
236 H MET 33 H MET 33 9.272 -3.965 -4.256
237 HA MET 33 HA MET 33 8.100 -5.491 -6.488
238 1HB MET 33 HB2 MET 33 8.550 -3.004 -6.594
239 2HB MET 33 HB1 MET 33 10.287 -3.370 -6.509
240 1HG MET 33 HG2 MET 33 9.655 -3.097 -8.832
241 2HG MET 33 HG1 MET 33 10.043 -4.795 -8.538
242 1HE MET 33 HE2 MET 33 8.604 -3.772 -11.126
243 2HE MET 33 HE3 MET 33 8.948 -5.489 -10.815
244 3HE MET 33 HE1 MET 33 7.319 -4.987 -11.325
245 H THR 34 H THR 34 8.919 -7.429 -6.991
246 HA THR 34 HA THR 34 11.401 -8.398 -5.917
247 HB THR 34 HB THR 34 9.458 -9.845 -6.441
248 HG1 THR 34 HG1 THR 34 10.693 -11.452 -7.481
249 1HG2 THR 34 HG23 THR 34 8.783 -8.616 -8.546
250 2HG2 THR 34 HG22 THR 34 10.176 -9.361 -9.367
251 3HG2 THR 34 HG21 THR 34 8.865 -10.382 -8.737
252 H LEU 35 H LEU 35 10.461 -6.790 -8.929
253 HA LEU 35 HA LEU 35 13.287 -6.947 -9.857
254 1HB LEU 35 HB2 LEU 35 11.280 -8.116 -11.180
255 2HB LEU 35 HB1 LEU 35 10.980 -6.465 -11.748
256 HG LEU 35 HG LEU 35 12.420 -7.544 -13.358
257 1HD1 LEU 35 HD13 LEU 35 12.992 -5.178 -12.752
258 2HD1 LEU 35 HD11 LEU 35 14.210 -5.799 -11.613
259 3HD1 LEU 35 HD12 LEU 35 14.382 -6.107 -13.354
260 1HD2 LEU 35 HD22 LEU 35 13.216 -9.320 -11.707
261 2HD2 LEU 35 HD21 LEU 35 14.448 -8.702 -12.831
262 3HD2 LEU 35 HD23 LEU 35 14.423 -8.140 -11.147
263 H LYS 36 H LYS 36 13.573 -5.095 -8.417
264 HA LYS 36 HA LYS 36 12.135 -2.673 -8.626
265 1HB LYS 36 H LYS 36 14.942 -3.414 -7.770
266 2HB LYS 36 H LYS 36 14.378 -1.727 -7.732
267 1HG LYS 36 H LYS 36 12.533 -2.319 -6.251
268 2HG LYS 36 H LYS 36 12.936 -4.046 -6.374
269 1HD LYS 36 H LYS 36 14.971 -2.030 -5.367
270 2HD LYS 36 H LYS 36 13.756 -2.737 -4.275
271 1HE LYS 36 H LYS 36 14.517 -5.025 -4.971
272 2HE LYS 36 H LYS 36 15.795 -4.273 -5.950
273 1HZ LYS 36 H LYS 36 16.657 -3.289 -3.949
274 2HZ LYS 36 H LYS 36 15.474 -3.998 -3.043
275 3HZ LYS 36 H LYS 36 16.597 -4.932 -3.810
276 H PHE 37 H PHE 37 12.461 -0.781 -9.800
277 HA PHE 37 HA PHE 37 14.541 -0.711 -11.884
278 1HB PHE 37 HB2 PHE 37 12.711 -1.927 -12.969
279 2HB PHE 37 HB1 PHE 37 11.557 -0.674 -12.485
280 HD1 PHE 37 HD2 PHE 37 14.539 -1.362 -14.623
281 HD2 PHE 37 HD1 PHE 37 11.279 1.324 -13.771
282 HE1 PHE 37 HE2 PHE 37 15.011 -0.119 -16.723
283 HE2 PHE 37 HE1 PHE 37 11.754 2.564 -15.871
284 HZ PHE 37 HZ PHE 37 13.619 1.843 -17.347
285 H GLY 38 H GLY 38 11.510 0.845 -10.666
286 1HA GLY 38 HA1 GLY 38 12.847 3.240 -9.868
287 2HA GLY 38 HA2 GLY 38 12.075 3.471 -11.454
No H/Q in entry = 287
Start of MODEL 9
1 1H MET 1 H1 MET 1 -12.172 3.763 14.817
2 2H MET 1 H3 MET 1 -13.119 3.293 16.087
3 3H MET 1 H2 MET 1 -12.847 4.895 15.810
4 HA MET 1 HA MET 1 -10.567 4.715 16.343
5 1HB MET 1 HB1 MET 1 -12.351 3.362 18.413
6 2HB MET 1 HB2 MET 1 -10.736 4.032 18.730
7 1HG MET 1 HG1 MET 1 -12.073 5.816 19.362
8 2HG MET 1 HG2 MET 1 -11.731 6.226 17.676
9 1HE MET 1 HE1 MET 1 -14.277 5.093 20.327
10 2HE MET 1 HE3 MET 1 -15.744 4.701 19.401
11 3HE MET 1 HE2 MET 1 -14.327 3.632 19.314
12 H SER 2 H SER 2 -8.797 3.495 15.979
13 HA SER 2 HA SER 2 -7.516 1.666 15.441
14 1HB SER 2 HB1 SER 2 -9.174 0.320 17.619
15 2HB SER 2 HB2 SER 2 -7.563 -0.172 17.049
16 HG SER 2 HG SER 2 -8.245 2.287 18.297
17 H ASP 3 H ASP 3 -9.670 2.085 13.727
18 HA ASP 3 HA ASP 3 -11.260 -0.286 13.351
19 1HB ASP 3 H ASP 3 -10.625 1.929 11.364
20 2HB ASP 3 H ASP 3 -12.036 0.850 11.362
21 H ASP 4 H ASP 4 -11.191 -1.693 11.477
22 HA ASP 4 HA ASP 4 -8.405 -2.406 10.742
23 1HB ASP 4 H ASP 4 -9.361 -4.555 10.160
24 2HB ASP 4 H ASP 4 -9.997 -4.081 11.751
25 H LYS 5 H LYS 5 -11.234 -0.857 9.456
26 HA LYS 5 HA LYS 5 -11.022 -1.693 6.751
27 1HB LYS 5 H LYS 5 -12.173 0.942 7.726
28 2HB LYS 5 H LYS 5 -12.594 0.054 6.253
29 1HG LYS 5 H LYS 5 -13.120 -0.833 9.131
30 2HG LYS 5 H LYS 5 -14.329 -0.289 7.956
31 1HD LYS 5 H LYS 5 -12.586 -2.785 7.648
32 2HD LYS 5 H LYS 5 -14.276 -2.768 8.184
33 1HE LYS 5 H LYS 5 -14.722 -3.093 5.973
34 2HE LYS 5 H LYS 5 -14.519 -1.332 5.879
35 1HZ LYS 5 H LYS 5 -12.381 -3.297 5.413
36 2HZ LYS 5 H LYS 5 -13.249 -2.550 4.226
37 3HZ LYS 5 H LYS 5 -12.274 -1.663 5.214
38 HA PRO 6 HA PRO 6 -8.489 2.334 6.020
39 1HB PRO 6 HB1 PRO 6 -6.781 2.813 8.306
40 2HB PRO 6 HB2 PRO 6 -8.009 3.893 7.593
41 1HG PRO 6 HG1 PRO 6 -8.167 2.490 10.091
42 2HG PRO 6 HG2 PRO 6 -9.448 3.455 9.304
43 1HD PRO 6 HD2 PRO 6 -9.183 0.547 9.511
44 2HD PRO 6 HD1 PRO 6 -10.587 1.509 8.974
45 H PHE 7 H PHE 7 -7.199 1.253 4.608
46 HA PHE 7 HA PHE 7 -5.443 -0.899 5.513
47 1HB PHE 7 HB2 PHE 7 -5.828 0.395 2.786
48 2HB PHE 7 HB1 PHE 7 -4.926 -1.092 3.111
49 HD1 PHE 7 HD1 PHE 7 -6.074 -3.185 3.661
50 HD2 PHE 7 HD2 PHE 7 -8.270 0.431 2.877
51 HE1 PHE 7 HE1 PHE 7 -8.164 -4.507 3.418
52 HE2 PHE 7 HE2 PHE 7 -10.359 -0.889 2.638
53 HZ PHE 7 HZ PHE 7 -10.307 -3.360 2.901
54 H LEU 8 H LEU 8 -3.797 -0.069 6.770
55 HA LEU 8 HA LEU 8 -2.233 2.226 5.764
56 1HB LEU 8 HB2 LEU 8 -2.854 2.249 8.117
57 2HB LEU 8 HB1 LEU 8 -2.197 0.615 8.349
58 HG LEU 8 HG LEU 8 0.090 1.497 7.746
59 1HD1 LEU 8 HD11 LEU 8 -1.387 4.167 7.814
60 2HD1 LEU 8 HD13 LEU 8 0.383 3.991 7.824
61 3HD1 LEU 8 HD12 LEU 8 -0.553 3.451 6.416
62 1HD2 LEU 8 HD21 LEU 8 -0.634 1.282 10.101
63 2HD2 LEU 8 HD23 LEU 8 0.434 2.689 9.885
64 3HD2 LEU 8 HD22 LEU 8 -1.324 2.922 10.041
65 H CYS 9 H CYS 9 -0.587 1.826 4.374
66 HA CYS 9 HA CYS 9 0.615 -0.827 4.163
67 1HB CYS 9 HB2 CYS 9 0.349 0.601 2.177
68 2HB CYS 9 HB1 CYS 9 1.373 1.854 2.913
69 H THR 10 H THR 10 1.491 -1.203 6.264
70 HA THR 10 HA THR 10 3.017 0.489 7.829
71 HB THR 10 HB THR 10 3.605 -2.466 7.374
72 HG1 THR 10 HG1 THR 10 1.957 -2.738 8.959
73 1HG2 THR 10 HG23 THR 10 3.803 -0.636 9.813
74 2HG2 THR 10 HG21 THR 10 4.148 -2.382 9.801
75 3HG2 THR 10 HG22 THR 10 5.175 -1.267 8.868
76 H ALA 11 H ALA 11 4.667 1.768 7.213
77 HA ALA 11 HA ALA 11 7.094 0.584 6.165
78 1HB ALA 11 HB3 ALA 11 5.346 2.363 4.437
79 2HB ALA 11 HB2 ALA 11 7.101 2.239 4.183
80 3HB ALA 11 HB1 ALA 11 6.074 0.797 4.025
81 HA PRO 12 HA PRO 12 8.589 3.866 8.643
82 1HB PRO 12 HB1 PRO 12 11.098 4.291 7.507
83 2HB PRO 12 HB2 PRO 12 10.690 2.937 8.599
84 1HG PRO 12 HG2 PRO 12 10.952 2.957 5.607
85 2HG PRO 12 HG1 PRO 12 11.341 1.653 6.770
86 1HD PRO 12 HD2 PRO 12 9.047 1.746 5.200
87 2HD PRO 12 HD1 PRO 12 9.176 0.851 6.745
88 H GLY 13 H GLY 13 10.255 4.765 5.594
89 1HA GLY 13 HA2 GLY 13 9.437 7.535 5.930
90 2HA GLY 13 HA1 GLY 13 10.491 6.868 4.667
91 H CYS 14 H CYS 14 7.178 5.740 5.460
92 HA CYS 14 HA CYS 14 6.062 7.216 3.174
93 1HB CYS 14 HB2 CYS 14 6.995 5.298 2.016
94 2HB CYS 14 HB1 CYS 14 6.253 4.183 3.185
95 H GLY 15 H GLY 15 5.076 4.182 4.852
96 1HA GLY 15 HA1 GLY 15 3.142 3.670 5.979
97 2HA GLY 15 HA2 GLY 15 3.488 5.162 6.870
98 H GLN 16 H GLN 16 2.381 4.564 3.445
99 HA GLN 16 HA GLN 16 0.392 6.693 3.766
100 1HB GLN 16 HB1 GLN 16 1.364 4.960 1.492
101 2HB GLN 16 HB2 GLN 16 -0.154 5.873 1.343
102 1HG GLN 16 HG1 GLN 16 0.995 7.969 1.820
103 2HG GLN 16 HG2 GLN 16 2.512 7.108 2.147
104 HE2 GLN 16 HE22 GLN 16 1.144 7.299 -1.783
105 HE2 GLN 16 HE21 GLN 16 0.002 7.210 -0.461
106 H ARG 17 H ARG 17 -1.858 6.420 3.584
107 HA ARG 17 HA ARG 17 -2.840 3.648 4.067
108 1HB ARG 17 H ARG 17 -2.805 4.960 6.159
109 2HB ARG 17 H ARG 17 -3.762 6.235 5.381
110 1HG ARG 17 H ARG 17 -4.929 3.497 5.187
111 2HG ARG 17 H ARG 17 -4.825 4.145 6.835
112 1HD ARG 17 H ARG 17 -5.998 5.733 4.520
113 2HD ARG 17 H ARG 17 -6.977 4.671 5.552
114 HE ARG 17 H ARG 17 -5.497 6.377 7.252
115 1HH1 ARG 17 H ARG 17 -8.030 6.588 4.786
116 2HH1 ARG 17 H ARG 17 -8.780 8.005 5.480
117 1HH2 ARG 17 H ARG 17 -6.505 8.238 8.177
118 2HH2 ARG 17 H ARG 17 -7.907 8.949 7.413
119 H PHE 18 H PHE 18 -4.868 3.142 3.192
120 HA PHE 18 HA PHE 18 -6.080 5.197 1.410
121 1HB PHE 18 HB2 PHE 18 -5.575 2.335 0.546
122 2HB PHE 18 HB1 PHE 18 -6.112 3.701 -0.446
123 HD1 PHE 18 HD2 PHE 18 -3.225 2.313 1.459
124 HD2 PHE 18 HD1 PHE 18 -4.517 5.194 -1.463
125 HE1 PHE 18 HE2 PHE 18 -0.858 2.816 0.913
126 HE2 PHE 18 HE1 PHE 18 -2.145 5.696 -2.011
127 HZ PHE 18 HZ PHE 18 -0.316 4.506 -0.817
128 H THR 19 H THR 19 -8.281 4.609 0.733
129 HA THR 19 HA THR 19 -9.769 3.499 2.979
130 HB THR 19 HB THR 19 -11.726 4.102 1.468
131 HG1 THR 19 HG1 THR 19 -11.180 5.279 -0.390
132 1HG2 THR 19 HG22 THR 19 -10.779 5.675 3.152
133 2HG2 THR 19 HG21 THR 19 -9.629 6.273 1.931
134 3HG2 THR 19 HG23 THR 19 -11.376 6.531 1.711
135 H ASN 20 H ASN 20 -8.385 2.260 0.054
136 HA ASN 20 HA ASN 20 -9.995 -0.233 0.346
137 1HB ASN 20 HB2 ASN 20 -9.749 -0.426 -2.182
138 2HB ASN 20 HB1 ASN 20 -10.909 0.786 -1.601
139 1HD2 ASN 20 HD22 ASN 20 -9.246 2.720 -4.148
140 2HD2 ASN 20 HD21 ASN 20 -10.588 1.636 -3.852
141 H GLU 21 H GLU 21 -8.928 -2.132 -0.570
142 HA GLU 21 HA GLU 21 -6.078 -2.148 0.061
143 1HB GLU 21 H GLU 21 -6.265 -4.562 -0.295
144 2HB GLU 21 H GLU 21 -7.597 -3.997 0.736
145 1HG GLU 21 H GLU 21 -9.054 -3.888 -1.334
146 2HG GLU 21 H GLU 21 -7.728 -4.647 -2.239
147 H ASP 22 H ASP 22 -8.107 -1.730 -2.741
148 HA ASP 22 HA ASP 22 -6.473 -2.764 -4.797
149 1HB ASP 22 H ASP 22 -8.246 -0.283 -4.811
150 2HB ASP 22 H ASP 22 -7.685 -1.177 -6.240
151 H HIS 23 H HIS 23 -6.576 0.563 -3.375
152 HA HIS 23 HA HIS 23 -4.367 1.516 -4.937
153 1HB HIS 23 HB2 HIS 23 -5.498 2.483 -2.287
154 2HB HIS 23 HB1 HIS 23 -4.344 3.374 -3.293
155 HD1 HIS 23 HD1 HIS 23 -6.703 5.016 -2.892
156 HD2 HIS 23 HD2 HIS 23 -6.735 1.999 -5.797
157 HE1 HIS 23 HE1 HIS 23 -8.549 5.562 -4.551
158 H LEU 24 H LEU 24 -4.703 -0.124 -1.791
159 HA LEU 24 HA LEU 24 -2.003 0.303 -0.920
160 1HB LEU 24 HB2 LEU 24 -4.065 -0.539 0.404
161 2HB LEU 24 HB1 LEU 24 -3.686 -2.133 -0.281
162 HG LEU 24 HG LEU 24 -1.194 -1.441 0.606
163 1HD1 LEU 24 HD13 LEU 24 -3.206 0.041 2.327
164 2HD1 LEU 24 HD11 LEU 24 -1.601 -0.429 2.917
165 3HD1 LEU 24 HD12 LEU 24 -1.752 0.682 1.540
166 1HD2 LEU 24 HD23 LEU 24 -3.456 -2.587 2.309
167 2HD2 LEU 24 HD21 LEU 24 -2.431 -3.505 1.182
168 3HD2 LEU 24 HD22 LEU 24 -1.718 -2.774 2.640
169 H ALA 25 H ALA 25 -3.557 -2.065 -3.086
170 HA ALA 25 HA ALA 25 -1.441 -3.969 -3.148
171 1HB ALA 25 HB3 ALA 25 -3.763 -4.383 -3.933
172 2HB ALA 25 HB1 ALA 25 -3.482 -3.281 -5.301
173 3HB ALA 25 HB2 ALA 25 -2.550 -4.790 -5.169
174 H VAL 26 H VAL 26 -2.283 -1.373 -5.547
175 HA VAL 26 HA VAL 26 0.063 -1.769 -7.115
176 HB VAL 26 HB VAL 26 -0.457 0.464 -8.068
177 1HG1 VAL 26 HG13 VAL 26 -1.700 -1.588 -8.777
178 2HG1 VAL 26 HG12 VAL 26 -2.951 -1.222 -7.564
179 3HG1 VAL 26 HG11 VAL 26 -2.678 -0.108 -8.925
180 1HG2 VAL 26 HG21 VAL 26 -2.548 0.577 -5.852
181 2HG2 VAL 26 HG22 VAL 26 -1.142 1.652 -6.018
182 3HG2 VAL 26 HG23 VAL 26 -2.450 1.702 -7.220
183 H HIS 27 H HIS 27 -0.600 0.246 -4.254
184 HA HIS 27 HA HIS 27 1.786 1.803 -4.378
185 1HB HIS 27 HB2 HIS 27 -0.143 2.483 -3.086
186 2HB HIS 27 HB1 HIS 27 -0.063 1.010 -2.103
187 HD1 HIS 27 HD1 HIS 27 2.217 4.011 -2.911
188 HD2 HIS 27 HD2 HIS 27 1.289 1.398 0.217
189 HE1 HIS 27 HE1 HIS 27 3.539 4.753 -0.876
190 H LYS 28 H LYS 28 0.966 -1.071 -2.317
191 HA LYS 28 HA LYS 28 3.606 -1.264 -1.251
192 1HB LYS 28 H LYS 28 2.864 -3.207 -0.156
193 2HB LYS 28 H LYS 28 1.411 -2.193 -0.292
194 1HG LYS 28 H LYS 28 0.804 -3.480 -2.381
195 2HG LYS 28 H LYS 28 2.174 -4.555 -2.059
196 1HD LYS 28 H LYS 28 1.004 -4.635 0.375
197 2HD LYS 28 H LYS 28 -0.435 -4.281 -0.610
198 1HE LYS 28 H LYS 28 -0.293 -6.665 -0.528
199 2HE LYS 28 H LYS 28 0.316 -6.212 -2.134
200 1HZ LYS 28 H LYS 28 2.560 -6.338 -1.181
201 2HZ LYS 28 H LYS 28 1.918 -6.917 0.226
202 3HZ LYS 28 H LYS 28 1.763 -7.786 -1.165
203 H HIS 29 H HIS 29 2.042 -2.655 -4.144
204 HA HIS 29 HA HIS 29 3.924 -4.647 -4.766
205 1HB HIS 29 HB2 HIS 29 1.928 -4.453 -6.069
206 2HB HIS 29 HB1 HIS 29 2.284 -2.771 -6.498
207 HD1 HIS 29 HD1 HIS 29 4.632 -5.811 -6.774
208 HD2 HIS 29 HD2 HIS 29 2.740 -2.977 -9.207
209 HE1 HIS 29 HE1 HIS 29 5.486 -6.137 -9.150
210 H LYS 30 H LYS 30 4.000 -1.105 -5.363
211 HA LYS 30 HA LYS 30 6.410 -1.079 -6.867
212 1HB LYS 30 H LYS 30 4.623 0.763 -6.513
213 2HB LYS 30 H LYS 30 5.501 1.143 -5.012
214 1HG LYS 30 H LYS 30 7.560 1.558 -6.262
215 2HG LYS 30 H LYS 30 6.801 0.995 -7.769
216 1HD LYS 30 H LYS 30 6.797 3.429 -7.764
217 2HD LYS 30 H LYS 30 5.124 2.858 -7.571
218 1HE LYS 30 H LYS 30 5.048 3.450 -5.294
219 2HE LYS 30 H LYS 30 6.817 3.427 -5.126
220 1HZ LYS 30 H LYS 30 5.316 5.408 -6.691
221 2HZ LYS 30 H LYS 30 5.891 5.650 -5.165
222 3HZ LYS 30 H LYS 30 6.946 5.400 -6.412
223 H HIS 31 H HIS 31 5.770 -1.032 -3.335
224 HA HIS 31 HA HIS 31 8.493 -0.453 -2.582
225 1HB HIS 31 HB2 HIS 31 6.144 -1.681 -1.092
226 2HB HIS 31 HB1 HIS 31 7.705 -1.323 -0.338
227 HD1 HIS 31 HD1 HIS 31 8.380 1.443 -1.421
228 HD2 HIS 31 HD2 HIS 31 4.517 0.359 -0.199
229 HE1 HIS 31 HE1 HIS 31 7.124 3.577 -0.846
230 H GLU 32 H GLU 32 6.555 -3.507 -2.675
231 HA GLU 32 HA GLU 32 8.658 -5.235 -1.897
232 1HB GLU 32 H GLU 32 6.084 -5.551 -3.452
233 2HB GLU 32 H GLU 32 7.240 -6.901 -3.395
234 1HG GLU 32 H GLU 32 5.953 -7.376 -1.524
235 2HG GLU 32 H GLU 32 7.240 -6.405 -0.788
236 H MET 33 H MET 33 7.766 -3.869 -5.081
237 HA MET 33 HA MET 33 9.554 -5.486 -6.627
238 1HB MET 33 HB2 MET 33 7.618 -4.194 -7.537
239 2HB MET 33 HB1 MET 33 8.487 -2.681 -7.182
240 1HG MET 33 HG1 MET 33 10.218 -3.202 -8.742
241 2HG MET 33 HG2 MET 33 9.690 -4.884 -8.885
242 1HE MET 33 HE2 MET 33 8.953 -1.154 -9.701
243 2HE MET 33 HE1 MET 33 7.459 -1.236 -10.665
244 3HE MET 33 HE3 MET 33 7.419 -1.621 -8.930
245 H THR 34 H THR 34 9.826 -2.055 -5.488
246 HA THR 34 HA THR 34 12.606 -2.315 -4.847
247 HB THR 34 HB THR 34 12.882 -2.385 -7.283
248 HG1 THR 34 HG1 THR 34 14.254 -0.652 -7.460
249 1HG2 THR 34 HG23 THR 34 10.657 -1.202 -7.766
250 2HG2 THR 34 HG22 THR 34 11.507 0.323 -7.461
251 3HG2 THR 34 HG21 THR 34 12.031 -0.732 -8.787
252 H LEU 35 H LEU 35 12.675 0.701 -5.902
253 HA LEU 35 HA LEU 35 10.814 1.885 -3.929
254 1HB LEU 35 HB2 LEU 35 13.757 1.651 -3.678
255 2HB LEU 35 HB1 LEU 35 13.147 3.302 -3.445
256 HG LEU 35 HG LEU 35 11.888 0.924 -2.035
257 1HD1 LEU 35 HD12 LEU 35 14.169 2.704 -1.073
258 2HD1 LEU 35 HD11 LEU 35 13.294 1.517 -0.076
259 3HD1 LEU 35 HD13 LEU 35 14.283 0.968 -1.448
260 1HD2 LEU 35 HD23 LEU 35 11.992 3.919 -1.447
261 2HD2 LEU 35 HD22 LEU 35 10.594 3.041 -2.109
262 3HD2 LEU 35 HD21 LEU 35 11.155 2.698 -0.458
263 H LYS 36 H LYS 36 10.410 1.895 -6.618
264 HA LYS 36 HA LYS 36 11.638 4.110 -7.980
265 1HB LYS 36 H LYS 36 10.461 2.099 -9.007
266 2HB LYS 36 H LYS 36 8.921 2.836 -8.516
267 1HG LYS 36 H LYS 36 9.393 4.822 -9.879
268 2HG LYS 36 H LYS 36 11.009 4.192 -10.284
269 1HD LYS 36 H LYS 36 9.846 2.147 -11.272
270 2HD LYS 36 H LYS 36 8.305 3.014 -11.071
271 1HE LYS 36 H LYS 36 10.681 4.150 -12.611
272 2HE LYS 36 H LYS 36 9.389 3.200 -13.374
273 1HZ LYS 36 H LYS 36 7.839 4.862 -12.402
274 2HZ LYS 36 H LYS 36 9.146 5.797 -12.027
275 3HZ LYS 36 H LYS 36 8.823 5.425 -13.603
276 H PHE 37 H PHE 37 11.363 6.219 -7.496
277 HA PHE 37 HA PHE 37 9.634 7.249 -5.568
278 1HB PHE 37 HB2 PHE 37 10.026 9.458 -6.733
279 2HB PHE 37 HB1 PHE 37 11.485 8.552 -6.311
280 HD1 PHE 37 HD2 PHE 37 12.890 7.515 -8.055
281 HD2 PHE 37 HD1 PHE 37 9.384 9.808 -9.070
282 HE1 PHE 37 HE2 PHE 37 13.657 7.649 -10.412
283 HE2 PHE 37 HE1 PHE 37 10.155 9.938 -11.427
284 HZ PHE 37 HZ PHE 37 12.290 8.859 -12.099
285 H GLY 38 H GLY 38 9.144 7.095 -9.131
286 1HA GLY 38 HA1 GLY 38 6.303 6.708 -8.838
287 2HA GLY 38 HA2 GLY 38 6.696 8.361 -9.372
No H/Q in entry = 287
Start of MODEL 10
1 1H MET 1 H1 MET 1 -11.025 -2.958 0.564
2 2H MET 1 H3 MET 1 -12.451 -3.616 1.073
3 3H MET 1 H2 MET 1 -11.232 -4.597 0.511
4 HA MET 1 HA MET 1 -11.406 -3.697 -1.667
5 1HB MET 1 HB1 MET 1 -12.970 -5.587 -0.668
6 2HB MET 1 HB2 MET 1 -14.244 -4.369 -0.885
7 1HG MET 1 HG1 MET 1 -13.287 -4.099 -3.288
8 2HG MET 1 HG2 MET 1 -12.417 -5.605 -2.970
9 1HE MET 1 HE2 MET 1 -13.478 -6.659 -5.118
10 2HE MET 1 HE1 MET 1 -15.226 -6.696 -5.454
11 3HE MET 1 HE3 MET 1 -14.358 -5.142 -5.426
12 H SER 2 H SER 2 -14.413 -2.910 -2.211
13 HA SER 2 HA SER 2 -13.906 -0.039 -2.230
14 1HB SER 2 HB1 SER 2 -15.072 -1.298 -4.076
15 2HB SER 2 HB2 SER 2 -16.429 -1.588 -2.963
16 HG SER 2 HG SER 2 -15.399 0.955 -3.716
17 H ASP 3 H ASP 3 -13.642 0.119 0.143
18 HA ASP 3 HA ASP 3 -16.238 0.657 1.450
19 1HB ASP 3 H ASP 3 -15.470 -0.628 3.482
20 2HB ASP 3 H ASP 3 -15.839 -1.646 2.077
21 H ASP 4 H ASP 4 -15.459 1.350 3.931
22 HA ASP 4 HA ASP 4 -13.596 3.611 3.415
23 1HB ASP 4 H ASP 4 -14.720 4.684 5.283
24 2HB ASP 4 H ASP 4 -15.940 4.079 4.143
25 H LYS 5 H LYS 5 -13.127 0.558 4.389
26 HA LYS 5 HA LYS 5 -12.030 0.856 7.025
27 1HB LYS 5 H LYS 5 -12.805 -1.278 5.809
28 2HB LYS 5 H LYS 5 -11.239 -1.238 4.970
29 1HG LYS 5 H LYS 5 -11.230 -0.969 7.966
30 2HG LYS 5 H LYS 5 -11.588 -2.568 7.281
31 1HD LYS 5 H LYS 5 -9.500 -2.640 6.096
32 2HD LYS 5 H LYS 5 -9.174 -0.927 6.424
33 1HE LYS 5 H LYS 5 -9.177 -1.501 8.902
34 2HE LYS 5 H LYS 5 -9.226 -3.213 8.428
35 1HZ LYS 5 H LYS 5 -7.189 -2.853 7.218
36 2HZ LYS 5 H LYS 5 -7.146 -1.269 7.689
37 3HZ LYS 5 H LYS 5 -7.000 -2.473 8.812
38 HA PRO 6 HA PRO 6 -8.348 2.968 5.586
39 1HB PRO 6 HB1 PRO 6 -7.056 2.979 8.087
40 2HB PRO 6 HB2 PRO 6 -8.162 4.236 7.470
41 1HG PRO 6 HG2 PRO 6 -8.639 2.186 9.545
42 2HG PRO 6 HG1 PRO 6 -9.559 3.676 9.195
43 1HD PRO 6 HD2 PRO 6 -10.287 0.992 8.525
44 2HD PRO 6 HD1 PRO 6 -11.109 2.496 8.016
45 H PHE 7 H PHE 7 -6.939 1.776 4.386
46 HA PHE 7 HA PHE 7 -5.680 -0.639 5.602
47 1HB PHE 7 HB2 PHE 7 -5.812 0.367 2.734
48 2HB PHE 7 HB1 PHE 7 -4.997 -1.114 3.261
49 HD1 PHE 7 HD1 PHE 7 -6.292 -3.065 4.051
50 HD2 PHE 7 HD2 PHE 7 -8.221 0.492 2.588
51 HE1 PHE 7 HE1 PHE 7 -8.429 -4.316 3.835
52 HE2 PHE 7 HE2 PHE 7 -10.359 -0.756 2.375
53 HZ PHE 7 HZ PHE 7 -10.464 -3.160 2.998
54 H LEU 8 H LEU 8 -3.947 0.036 6.798
55 HA LEU 8 HA LEU 8 -2.254 2.234 5.804
56 1HB LEU 8 HB2 LEU 8 -2.914 2.266 8.150
57 2HB LEU 8 HB1 LEU 8 -2.304 0.613 8.385
58 HG LEU 8 HG LEU 8 0.010 1.433 7.807
59 1HD1 LEU 8 HD12 LEU 8 -1.406 4.136 7.837
60 2HD1 LEU 8 HD13 LEU 8 0.360 3.930 7.909
61 3HD1 LEU 8 HD11 LEU 8 -0.537 3.401 6.470
62 1HD2 LEU 8 HD22 LEU 8 -0.749 1.239 10.155
63 2HD2 LEU 8 HD21 LEU 8 0.367 2.610 9.950
64 3HD2 LEU 8 HD23 LEU 8 -1.383 2.901 10.087
65 H CYS 9 H CYS 9 -0.592 1.789 4.462
66 HA CYS 9 HA CYS 9 0.545 -0.913 4.309
67 1HB CYS 9 HB2 CYS 9 0.287 0.399 2.255
68 2HB CYS 9 HB1 CYS 9 1.286 1.709 2.931
69 H THR 10 H THR 10 1.369 -1.112 6.497
70 HA THR 10 HA THR 10 3.029 0.688 7.828
71 HB THR 10 HB THR 10 3.349 -2.343 7.808
72 HG1 THR 10 HG1 THR 10 1.522 -0.708 9.249
73 1HG2 THR 10 HG22 THR 10 3.762 -0.200 9.946
74 2HG2 THR 10 HG23 THR 10 3.929 -1.954 10.200
75 3HG2 THR 10 HG21 THR 10 5.045 -1.104 9.105
76 H ALA 11 H ALA 11 4.773 1.718 6.998
77 HA ALA 11 HA ALA 11 7.013 0.121 6.004
78 1HB ALA 11 HB3 ALA 11 5.472 2.097 4.283
79 2HB ALA 11 HB2 ALA 11 7.161 1.650 3.945
80 3HB ALA 11 HB1 ALA 11 5.888 0.409 3.911
81 HA PRO 12 HA PRO 12 9.100 3.218 8.286
82 1HB PRO 12 HB2 PRO 12 11.510 3.346 6.842
83 2HB PRO 12 HB1 PRO 12 11.120 2.156 8.118
84 1HG PRO 12 HG2 PRO 12 11.112 1.833 5.145
85 2HG PRO 12 HG1 PRO 12 11.397 0.608 6.419
86 1HD PRO 12 HD1 PRO 12 9.035 0.881 4.964
87 2HD PRO 12 HD2 PRO 12 9.152 0.103 6.572
88 H GLY 13 H GLY 13 8.551 5.334 8.211
89 1HA GLY 13 HA2 GLY 13 8.626 7.536 7.529
90 2HA GLY 13 HA1 GLY 13 9.620 7.058 6.138
91 H CYS 14 H CYS 14 7.840 5.144 4.933
92 HA CYS 14 HA CYS 14 6.182 6.987 3.467
93 1HB CYS 14 HB2 CYS 14 7.183 5.084 2.362
94 2HB CYS 14 HB1 CYS 14 6.375 3.956 3.470
95 H GLY 15 H GLY 15 5.130 3.978 5.177
96 1HA GLY 15 HA1 GLY 15 3.071 3.455 6.087
97 2HA GLY 15 HA2 GLY 15 3.403 4.900 7.055
98 H GLN 16 H GLN 16 2.367 4.344 3.596
99 HA GLN 16 HA GLN 16 0.478 6.578 3.863
100 1HB GLN 16 HB1 GLN 16 1.424 4.810 1.601
101 2HB GLN 16 HB2 GLN 16 -0.021 5.829 1.420
102 1HG GLN 16 HG1 GLN 16 1.259 7.833 1.969
103 2HG GLN 16 HG2 GLN 16 2.703 6.859 2.311
104 HE2 GLN 16 HE22 GLN 16 0.268 7.227 -0.343
105 HE2 GLN 16 HE21 GLN 16 1.442 7.235 -1.641
106 H ARG 17 H ARG 17 -1.780 6.397 3.598
107 HA ARG 17 HA ARG 17 -2.880 3.663 4.033
108 1HB ARG 17 H ARG 17 -2.886 4.871 6.148
109 2HB ARG 17 H ARG 17 -3.656 6.268 5.381
110 1HG ARG 17 H ARG 17 -5.071 3.635 5.089
111 2HG ARG 17 H ARG 17 -5.046 4.342 6.716
112 1HD ARG 17 H ARG 17 -6.040 5.745 4.195
113 2HD ARG 17 H ARG 17 -7.053 5.052 5.461
114 HE ARG 17 H ARG 17 -6.231 6.739 7.010
115 1HH1 ARG 17 H ARG 17 -5.045 7.243 3.689
116 2HH1 ARG 17 H ARG 17 -5.090 8.986 3.806
117 1HH2 ARG 17 H ARG 17 -6.231 9.043 7.149
118 2HH2 ARG 17 H ARG 17 -5.628 10.001 5.816
119 H PHE 18 H PHE 18 -4.815 3.199 3.034
120 HA PHE 18 HA PHE 18 -5.963 5.309 1.271
121 1HB PHE 18 HB2 PHE 18 -5.487 2.450 0.382
122 2HB PHE 18 HB1 PHE 18 -5.954 3.845 -0.605
123 HD1 PHE 18 HD2 PHE 18 -3.168 2.410 1.429
124 HD2 PHE 18 HD1 PHE 18 -4.292 5.248 -1.606
125 HE1 PHE 18 HE2 PHE 18 -0.774 2.862 0.968
126 HE2 PHE 18 HE1 PHE 18 -1.891 5.694 -2.070
127 HZ PHE 18 HZ PHE 18 -0.134 4.502 -0.775
128 H THR 19 H THR 19 -8.164 4.809 0.574
129 HA THR 19 HA THR 19 -9.689 3.627 2.750
130 HB THR 19 HB THR 19 -10.361 5.718 1.567
131 HG1 THR 19 HG1 THR 19 -12.107 3.479 1.404
132 1HG2 THR 19 HG23 THR 19 -9.641 4.994 -0.731
133 2HG2 THR 19 HG21 THR 19 -11.010 3.861 -0.765
134 3HG2 THR 19 HG22 THR 19 -11.307 5.610 -0.681
135 H ASN 20 H ASN 20 -8.489 2.578 -0.388
136 HA ASN 20 HA ASN 20 -10.127 0.087 -0.149
137 1HB ASN 20 HB2 ASN 20 -9.141 1.601 -2.597
138 2HB ASN 20 HB1 ASN 20 -9.736 -0.067 -2.663
139 1HD2 ASN 20 HD21 ASN 20 -12.645 1.965 -3.580
140 2HD2 ASN 20 HD22 ASN 20 -11.117 1.435 -4.254
141 H GLU 21 H GLU 21 -9.058 -1.870 -0.437
142 HA GLU 21 HA GLU 21 -6.245 -1.882 0.165
143 1HB GLU 21 H GLU 21 -6.459 -4.310 0.044
144 2HB GLU 21 H GLU 21 -7.853 -3.636 0.914
145 1HG GLU 21 H GLU 21 -9.148 -3.712 -1.259
146 2HG GLU 21 H GLU 21 -7.774 -4.565 -1.988
147 H ASP 22 H ASP 22 -8.125 -1.765 -2.780
148 HA ASP 22 HA ASP 22 -6.327 -2.954 -4.616
149 1HB ASP 22 H ASP 22 -8.635 -2.303 -5.164
150 2HB ASP 22 H ASP 22 -8.222 -0.591 -4.927
151 H HIS 23 H HIS 23 -6.569 0.378 -3.312
152 HA HIS 23 HA HIS 23 -4.410 1.443 -4.865
153 1HB HIS 23 HB2 HIS 23 -5.435 2.343 -2.152
154 2HB HIS 23 HB1 HIS 23 -4.537 3.320 -3.326
155 HD1 HIS 23 HD1 HIS 23 -7.334 4.243 -2.298
156 HD2 HIS 23 HD2 HIS 23 -6.739 2.009 -5.789
157 HE1 HIS 23 HE1 HIS 23 -9.346 4.619 -3.808
158 H LEU 24 H LEU 24 -4.675 -0.322 -1.810
159 HA LEU 24 HA LEU 24 -1.980 0.170 -0.917
160 1HB LEU 24 HB2 LEU 24 -4.091 -0.695 0.374
161 2HB LEU 24 HB1 LEU 24 -3.608 -2.287 -0.242
162 HG LEU 24 HG LEU 24 -1.190 -1.469 0.695
163 1HD1 LEU 24 HD12 LEU 24 -3.304 0.066 2.239
164 2HD1 LEU 24 HD11 LEU 24 -1.735 -0.355 2.953
165 3HD1 LEU 24 HD13 LEU 24 -1.806 0.678 1.509
166 1HD2 LEU 24 HD23 LEU 24 -3.470 -2.594 2.391
167 2HD2 LEU 24 HD22 LEU 24 -2.378 -3.536 1.350
168 3HD2 LEU 24 HD21 LEU 24 -1.740 -2.704 2.787
169 H ALA 25 H ALA 25 -3.535 -2.116 -3.149
170 HA ALA 25 HA ALA 25 -1.439 -4.057 -3.210
171 1HB ALA 25 HB3 ALA 25 -3.792 -4.385 -4.027
172 2HB ALA 25 HB1 ALA 25 -3.412 -3.335 -5.411
173 3HB ALA 25 HB2 ALA 25 -2.549 -4.876 -5.203
174 H VAL 26 H VAL 26 -2.255 -1.425 -5.572
175 HA VAL 26 HA VAL 26 0.098 -1.775 -7.129
176 HB VAL 26 HB VAL 26 -0.413 0.483 -8.018
177 1HG1 VAL 26 HG13 VAL 26 -1.687 -1.538 -8.768
178 2HG1 VAL 26 HG11 VAL 26 -2.930 -1.176 -7.546
179 3HG1 VAL 26 HG12 VAL 26 -2.638 -0.040 -8.883
180 1HG2 VAL 26 HG22 VAL 26 -2.484 0.558 -5.778
181 2HG2 VAL 26 HG21 VAL 26 -1.070 1.626 -5.934
182 3HG2 VAL 26 HG23 VAL 26 -2.392 1.716 -7.119
183 H HIS 27 H HIS 27 -0.561 0.108 -4.188
184 HA HIS 27 HA HIS 27 1.839 1.669 -4.264
185 1HB HIS 27 HB2 HIS 27 -0.089 2.383 -3.016
186 2HB HIS 27 HB1 HIS 27 -0.105 0.880 -2.076
187 HD1 HIS 27 HD1 HIS 27 2.345 3.794 -2.685
188 HD2 HIS 27 HD2 HIS 27 1.105 1.163 0.313
189 HE1 HIS 27 HE1 HIS 27 3.576 4.424 -0.556
190 H LYS 28 H LYS 28 0.946 -1.284 -2.339
191 HA LYS 28 HA LYS 28 3.532 -1.478 -1.135
192 1HB LYS 28 H LYS 28 2.763 -3.460 -0.150
193 2HB LYS 28 H LYS 28 1.294 -2.488 -0.356
194 1HG LYS 28 H LYS 28 0.934 -3.729 -2.559
195 2HG LYS 28 H LYS 28 2.243 -4.823 -2.062
196 1HD LYS 28 H LYS 28 0.950 -5.207 0.098
197 2HD LYS 28 H LYS 28 -0.403 -4.313 -0.639
198 1HE LYS 28 H LYS 28 -0.334 -5.940 -2.569
199 2HE LYS 28 H LYS 28 0.895 -6.870 -1.686
200 1HZ LYS 28 H LYS 28 -0.692 -7.161 0.079
201 2HZ LYS 28 H LYS 28 -1.834 -6.308 -0.752
202 3HZ LYS 28 H LYS 28 -1.289 -7.749 -1.342
203 H HIS 29 H HIS 29 2.207 -2.612 -4.212
204 HA HIS 29 HA HIS 29 4.210 -4.570 -4.775
205 1HB HIS 29 HB2 HIS 29 2.030 -4.232 -5.996
206 2HB HIS 29 HB1 HIS 29 2.731 -2.790 -6.749
207 HD1 HIS 29 HD1 HIS 29 5.571 -4.881 -6.660
208 HD2 HIS 29 HD2 HIS 29 2.027 -5.010 -8.895
209 HE1 HIS 29 HE1 HIS 29 6.009 -6.298 -8.725
210 H LYS 30 H LYS 30 4.028 -1.016 -5.336
211 HA LYS 30 HA LYS 30 6.430 -0.763 -6.828
212 1HB LYS 30 H LYS 30 4.967 1.141 -4.959
213 2HB LYS 30 H LYS 30 6.377 1.621 -5.924
214 1HG LYS 30 H LYS 30 4.062 0.244 -7.294
215 2HG LYS 30 H LYS 30 3.918 1.966 -6.870
216 1HD LYS 30 H LYS 30 5.971 2.479 -8.121
217 2HD LYS 30 H LYS 30 6.207 0.752 -8.487
218 1HE LYS 30 H LYS 30 4.071 0.709 -9.725
219 2HE LYS 30 H LYS 30 3.803 2.425 -9.342
220 1HZ LYS 30 H LYS 30 6.127 1.414 -10.829
221 2HZ LYS 30 H LYS 30 4.759 1.994 -11.546
222 3HZ LYS 30 H LYS 30 5.686 2.992 -10.611
223 H HIS 31 H HIS 31 5.807 -0.970 -3.313
224 HA HIS 31 HA HIS 31 8.532 -0.353 -2.551
225 1HB HIS 31 HB2 HIS 31 6.213 -1.711 -1.132
226 2HB HIS 31 HB1 HIS 31 7.773 -1.384 -0.362
227 HD1 HIS 31 HD1 HIS 31 8.448 1.436 -1.095
228 HD2 HIS 31 HD2 HIS 31 4.512 0.270 -0.225
229 HE1 HIS 31 HE1 HIS 31 7.160 3.515 -0.400
230 H GLU 32 H GLU 32 6.597 -3.381 -2.820
231 HA GLU 32 HA GLU 32 8.962 -5.041 -2.395
232 1HB GLU 32 H GLU 32 6.516 -5.488 -1.635
233 2HB GLU 32 H GLU 32 6.217 -5.958 -3.322
234 1HG GLU 32 H GLU 32 6.769 -7.962 -2.080
235 2HG GLU 32 H GLU 32 8.151 -7.586 -3.125
236 H MET 33 H MET 33 9.551 -3.418 -4.499
237 HA MET 33 HA MET 33 8.876 -4.736 -7.028
238 1HB MET 33 HB2 MET 33 9.219 -2.251 -6.751
239 2HB MET 33 HB1 MET 33 10.942 -2.567 -6.451
240 1HG MET 33 HG1 MET 33 11.127 -3.657 -8.657
241 2HG MET 33 HG2 MET 33 9.401 -3.403 -8.942
242 1HE MET 33 HE1 MET 33 8.278 -1.249 -9.543
243 2HE MET 33 HE2 MET 33 8.780 -0.465 -8.026
244 3HE MET 33 HE3 MET 33 9.040 0.358 -9.581
245 H THR 34 H THR 34 9.664 -6.862 -6.087
246 HA THR 34 HA THR 34 12.394 -7.318 -5.496
247 HB THR 34 HB THR 34 10.572 -8.868 -4.901
248 HG1 THR 34 HG1 THR 34 12.702 -9.653 -5.127
249 1HG2 THR 34 HG23 THR 34 9.318 -8.584 -7.118
250 2HG2 THR 34 HG22 THR 34 10.508 -9.699 -7.831
251 3HG2 THR 34 HG21 THR 34 9.452 -10.250 -6.514
252 H LEU 35 H LEU 35 10.601 -7.577 -8.626
253 HA LEU 35 HA LEU 35 12.985 -6.942 -10.117
254 1HB LEU 35 HB1 LEU 35 13.354 -9.390 -9.465
255 2HB LEU 35 HB2 LEU 35 11.925 -9.782 -10.441
256 HG LEU 35 HG LEU 35 13.153 -8.456 -12.347
257 1HD1 LEU 35 HD11 LEU 35 15.465 -9.117 -10.466
258 2HD1 LEU 35 HD12 LEU 35 15.637 -8.571 -12.150
259 3HD1 LEU 35 HD13 LEU 35 14.927 -7.486 -10.934
260 1HD2 LEU 35 HD23 LEU 35 14.197 -11.138 -11.337
261 2HD2 LEU 35 HD21 LEU 35 12.769 -10.893 -12.370
262 3HD2 LEU 35 HD22 LEU 35 14.392 -10.512 -12.992
263 H LYS 36 H LYS 36 11.119 -5.365 -10.490
264 HA LYS 36 HA LYS 36 9.946 -5.986 -13.066
265 1HB LYS 36 H LYS 36 8.343 -7.095 -11.451
266 2HB LYS 36 H LYS 36 8.027 -5.491 -10.751
267 1HG LYS 36 H LYS 36 7.468 -4.718 -13.143
268 2HG LYS 36 H LYS 36 7.485 -6.437 -13.598
269 1HD LYS 36 H LYS 36 5.770 -5.266 -11.364
270 2HD LYS 36 H LYS 36 5.198 -5.535 -13.026
271 1HE LYS 36 H LYS 36 5.815 -7.964 -12.794
272 2HE LYS 36 H LYS 36 6.224 -7.659 -11.091
273 1HZ LYS 36 H LYS 36 3.588 -7.236 -12.314
274 2HZ LYS 36 H LYS 36 4.008 -8.495 -11.337
275 3HZ LYS 36 H LYS 36 3.974 -6.958 -10.730
276 H PHE 37 H PHE 37 11.109 -4.157 -13.718
277 HA PHE 37 HA PHE 37 10.827 -1.620 -12.336
278 1HB PHE 37 HB2 PHE 37 12.859 -2.328 -13.606
279 2HB PHE 37 HB1 PHE 37 11.918 -2.252 -15.105
280 HD1 PHE 37 HD1 PHE 37 13.124 -0.194 -12.216
281 HD2 PHE 37 HD2 PHE 37 11.646 -0.192 -16.264
282 HE1 PHE 37 HE1 PHE 37 13.654 2.225 -12.411
283 HE2 PHE 37 HE2 PHE 37 12.177 2.228 -16.454
284 HZ PHE 37 HZ PHE 37 13.181 3.436 -14.529
285 H GLY 38 H GLY 38 8.639 -1.075 -12.263
286 1HA GLY 38 HA2 GLY 38 7.571 0.295 -14.520
287 2HA GLY 38 HA1 GLY 38 6.779 -1.291 -14.361
No H/Q in entry = 287
Start of MODEL 11
1 1H MET 1 H3 MET 1 -13.620 -1.170 0.212
2 2H MET 1 H2 MET 1 -13.264 -2.666 -0.386
3 3H MET 1 H1 MET 1 -14.761 -2.017 -0.625
4 HA MET 1 HA MET 1 -14.896 -3.673 1.049
5 1HB MET 1 HB1 MET 1 -12.499 -3.487 1.726
6 2HB MET 1 HB2 MET 1 -12.864 -1.939 2.523
7 1HG MET 1 HG1 MET 1 -14.345 -3.002 4.089
8 2HG MET 1 HG2 MET 1 -14.324 -4.522 3.180
9 1HE MET 1 HE3 MET 1 -13.950 -4.283 6.317
10 2HE MET 1 HE1 MET 1 -13.939 -5.824 5.426
11 3HE MET 1 HE2 MET 1 -12.636 -5.454 6.581
12 H SER 2 H SER 2 -16.409 -3.426 2.793
13 HA SER 2 HA SER 2 -18.038 -1.085 2.602
14 1HB SER 2 HB2 SER 2 -18.829 -3.384 3.228
15 2HB SER 2 HB1 SER 2 -17.986 -3.212 4.786
16 HG SER 2 HG SER 2 -19.304 -1.448 5.252
17 H ASP 3 H ASP 3 -18.252 0.688 3.941
18 HA ASP 3 HA ASP 3 -17.675 2.310 5.429
19 1HB ASP 3 H ASP 3 -18.016 0.436 7.089
20 2HB ASP 3 H ASP 3 -16.272 0.120 7.017
21 H ASP 4 H ASP 4 -15.733 3.499 6.399
22 HA ASP 4 HA ASP 4 -13.602 3.474 4.389
23 1HB ASP 4 H ASP 4 -14.569 5.591 5.206
24 2HB ASP 4 H ASP 4 -14.061 5.198 6.862
25 H LYS 5 H LYS 5 -13.272 1.079 5.328
26 HA LYS 5 HA LYS 5 -11.818 0.765 7.763
27 1HB LYS 5 H LYS 5 -13.000 -0.936 6.093
28 2HB LYS 5 H LYS 5 -11.389 -1.024 5.367
29 1HG LYS 5 H LYS 5 -11.962 -1.452 8.340
30 2HG LYS 5 H LYS 5 -11.864 -2.770 7.157
31 1HD LYS 5 H LYS 5 -9.608 -0.824 7.814
32 2HD LYS 5 H LYS 5 -9.732 -2.493 8.387
33 1HE LYS 5 H LYS 5 -9.779 -3.227 5.957
34 2HE LYS 5 H LYS 5 -9.402 -1.550 5.514
35 1HZ LYS 5 H LYS 5 -7.419 -1.698 6.818
36 2HZ LYS 5 H LYS 5 -7.755 -3.267 7.222
37 3HZ LYS 5 H LYS 5 -7.441 -2.870 5.653
38 HA PRO 6 HA PRO 6 -8.224 2.904 6.112
39 1HB PRO 6 HB1 PRO 6 -6.662 2.474 8.448
40 2HB PRO 6 HB2 PRO 6 -7.618 3.926 8.042
41 1HG PRO 6 HG1 PRO 6 -8.188 1.834 10.024
42 2HG PRO 6 HG2 PRO 6 -8.985 3.416 9.798
43 1HD PRO 6 HD2 PRO 6 -10.000 0.835 9.084
44 2HD PRO 6 HD1 PRO 6 -10.728 2.425 8.731
45 H PHE 7 H PHE 7 -6.702 2.055 4.804
46 HA PHE 7 HA PHE 7 -5.576 -0.636 5.468
47 1HB PHE 7 HB2 PHE 7 -5.933 0.834 2.828
48 2HB PHE 7 HB1 PHE 7 -5.000 -0.659 3.012
49 HD1 PHE 7 HD1 PHE 7 -6.093 -2.805 3.460
50 HD2 PHE 7 HD2 PHE 7 -8.374 0.812 2.969
51 HE1 PHE 7 HE1 PHE 7 -8.166 -4.144 3.186
52 HE2 PHE 7 HE2 PHE 7 -10.442 -0.524 2.698
53 HZ PHE 7 HZ PHE 7 -10.339 -3.005 2.798
54 H LEU 8 H LEU 8 -4.011 0.258 6.923
55 HA LEU 8 HA LEU 8 -2.197 2.339 5.954
56 1HB LEU 8 HB2 LEU 8 -2.928 2.336 8.290
57 2HB LEU 8 HB1 LEU 8 -2.302 0.688 8.513
58 HG LEU 8 HG LEU 8 0.008 1.512 8.027
59 1HD1 LEU 8 HD13 LEU 8 -1.438 4.189 7.833
60 2HD1 LEU 8 HD11 LEU 8 0.315 4.045 8.094
61 3HD1 LEU 8 HD12 LEU 8 -0.413 3.414 6.602
62 1HD2 LEU 8 HD23 LEU 8 -0.842 1.417 10.355
63 2HD2 LEU 8 HD21 LEU 8 0.299 2.763 10.133
64 3HD2 LEU 8 HD22 LEU 8 -1.450 3.082 10.197
65 H CYS 9 H CYS 9 -0.624 1.805 4.530
66 HA CYS 9 HA CYS 9 0.452 -0.890 4.350
67 1HB CYS 9 HB2 CYS 9 0.289 0.516 2.358
68 2HB CYS 9 HB1 CYS 9 1.311 1.765 3.109
69 H THR 10 H THR 10 1.297 -1.294 6.486
70 HA THR 10 HA THR 10 3.160 0.400 7.791
71 HB THR 10 HB THR 10 1.976 -1.506 8.866
72 HG1 THR 10 HG1 THR 10 3.817 -2.220 10.010
73 1HG2 THR 10 HG23 THR 10 2.285 -3.090 6.886
74 2HG2 THR 10 HG21 THR 10 3.970 -3.300 7.418
75 3HG2 THR 10 HG22 THR 10 2.634 -3.793 8.481
76 H ALA 11 H ALA 11 5.320 0.765 7.518
77 HA ALA 11 HA ALA 11 7.087 -1.030 6.140
78 1HB ALA 11 HB1 ALA 11 5.746 1.200 4.608
79 2HB ALA 11 HB2 ALA 11 7.451 0.842 4.266
80 3HB ALA 11 HB3 ALA 11 6.222 -0.422 4.058
81 HA PRO 12 HA PRO 12 9.953 1.474 8.344
82 1HB PRO 12 HB1 PRO 12 12.067 1.668 6.468
83 2HB PRO 12 HB2 PRO 12 11.838 0.373 7.678
84 1HG PRO 12 HG2 PRO 12 11.323 0.336 4.750
85 2HG PRO 12 HG1 PRO 12 11.614 -1.029 5.868
86 1HD PRO 12 HD1 PRO 12 9.129 -0.293 4.789
87 2HD PRO 12 HD2 PRO 12 9.365 -1.328 6.226
88 H GLY 13 H GLY 13 9.228 3.554 8.594
89 1HA GLY 13 HA1 GLY 13 9.265 5.845 8.241
90 2HA GLY 13 HA2 GLY 13 10.137 5.591 6.713
91 H CYS 14 H CYS 14 8.467 3.960 5.255
92 HA CYS 14 HA CYS 14 6.412 5.827 4.429
93 1HB CYS 14 HB2 CYS 14 7.590 4.454 2.796
94 2HB CYS 14 HB1 CYS 14 7.049 2.969 3.608
95 H GLY 15 H GLY 15 4.245 5.840 4.895
96 1HA GLY 15 HA1 GLY 15 2.945 3.484 6.045
97 2HA GLY 15 HA2 GLY 15 3.145 4.846 7.169
98 H GLN 16 H GLN 16 2.270 4.465 3.670
99 HA GLN 16 HA GLN 16 0.354 6.646 3.910
100 1HB GLN 16 HB1 GLN 16 1.373 4.883 1.687
101 2HB GLN 16 HB2 GLN 16 -0.141 5.786 1.469
102 1HG GLN 16 HG2 GLN 16 1.419 7.321 0.672
103 2HG GLN 16 HG1 GLN 16 1.244 7.838 2.358
104 HE2 GLN 16 HE22 GLN 16 4.865 6.789 0.918
105 HE2 GLN 16 HE21 GLN 16 3.443 7.010 -0.076
106 H ARG 17 H ARG 17 -1.885 6.503 3.634
107 HA ARG 17 HA ARG 17 -3.049 3.816 4.194
108 1HB ARG 17 H ARG 17 -3.036 5.322 6.167
109 2HB ARG 17 H ARG 17 -3.951 6.530 5.247
110 1HG ARG 17 H ARG 17 -5.022 3.709 5.442
111 2HG ARG 17 H ARG 17 -5.173 4.777 6.853
112 1HD ARG 17 H ARG 17 -5.957 6.297 4.545
113 2HD ARG 17 H ARG 17 -6.769 4.726 4.461
114 HE ARG 17 H ARG 17 -6.878 6.165 7.040
115 1HH1 ARG 17 H ARG 17 -8.505 5.348 3.986
116 2HH1 ARG 17 H ARG 17 -10.119 5.564 4.634
117 1HH2 ARG 17 H ARG 17 -9.011 6.523 7.845
118 2HH2 ARG 17 H ARG 17 -10.399 6.352 6.787
119 H PHE 18 H PHE 18 -5.025 3.343 3.196
120 HA PHE 18 HA PHE 18 -6.007 5.317 1.196
121 1HB PHE 18 HB2 PHE 18 -5.462 2.404 0.542
122 2HB PHE 18 HB1 PHE 18 -5.968 3.691 -0.564
123 HD1 PHE 18 HD2 PHE 18 -3.153 2.460 1.540
124 HD2 PHE 18 HD1 PHE 18 -4.360 5.170 -1.576
125 HE1 PHE 18 HE2 PHE 18 -0.773 2.973 1.071
126 HE2 PHE 18 HE1 PHE 18 -1.975 5.685 -2.046
127 HZ PHE 18 HZ PHE 18 -0.185 4.589 -0.715
128 H THR 19 H THR 19 -8.124 4.702 0.293
129 HA THR 19 HA THR 19 -9.892 3.800 2.426
130 HB THR 19 HB THR 19 -11.636 4.329 0.631
131 HG1 THR 19 HG1 THR 19 -10.488 4.083 -1.225
132 1HG2 THR 19 HG21 THR 19 -10.908 5.986 2.324
133 2HG2 THR 19 HG23 THR 19 -9.564 6.477 1.268
134 3HG2 THR 19 HG22 THR 19 -11.245 6.763 0.762
135 H ASN 20 H ASN 20 -8.399 2.405 -0.444
136 HA ASN 20 HA ASN 20 -10.054 -0.052 -0.067
137 1HB ASN 20 HB2 ASN 20 -9.121 1.211 -2.677
138 2HB ASN 20 HB1 ASN 20 -9.944 -0.353 -2.529
139 1HD2 ASN 20 HD22 ASN 20 -13.177 0.998 -2.339
140 2HD2 ASN 20 HD21 ASN 20 -12.143 -0.404 -2.509
141 H GLU 21 H GLU 21 -8.991 -2.027 -0.455
142 HA GLU 21 HA GLU 21 -6.182 -2.043 0.144
143 1HB GLU 21 H GLU 21 -8.036 -3.818 0.643
144 2HB GLU 21 H GLU 21 -7.716 -4.389 -1.009
145 1HG GLU 21 H GLU 21 -5.409 -4.843 -0.495
146 2HG GLU 21 H GLU 21 -5.512 -3.972 1.051
147 H ASP 22 H ASP 22 -8.113 -2.004 -2.793
148 HA ASP 22 HA ASP 22 -6.307 -3.032 -4.685
149 1HB ASP 22 H ASP 22 -8.161 -0.633 -4.976
150 2HB ASP 22 H ASP 22 -7.559 -1.674 -6.283
151 H HIS 23 H HIS 23 -6.592 0.245 -3.256
152 HA HIS 23 HA HIS 23 -4.482 1.408 -4.827
153 1HB HIS 23 HB2 HIS 23 -5.503 2.237 -2.091
154 2HB HIS 23 HB1 HIS 23 -4.659 3.258 -3.268
155 HD1 HIS 23 HD1 HIS 23 -6.524 1.963 -5.713
156 HD2 HIS 23 HD2 HIS 23 -7.779 3.964 -2.255
157 HE1 HIS 23 HE1 HIS 23 -8.846 2.900 -6.161
158 H LEU 24 H LEU 24 -4.684 -0.369 -1.771
159 HA LEU 24 HA LEU 24 -2.005 0.183 -0.891
160 1HB LEU 24 HB2 LEU 24 -4.117 -0.781 0.368
161 2HB LEU 24 HB1 LEU 24 -3.517 -2.343 -0.225
162 HG LEU 24 HG LEU 24 -1.188 -1.483 0.745
163 1HD1 LEU 24 HD11 LEU 24 -3.269 0.283 2.042
164 2HD1 LEU 24 HD13 LEU 24 -1.780 -0.157 2.903
165 3HD1 LEU 24 HD12 LEU 24 -1.691 0.729 1.365
166 1HD2 LEU 24 HD22 LEU 24 -3.498 -2.363 2.540
167 2HD2 LEU 24 HD23 LEU 24 -2.463 -3.445 1.579
168 3HD2 LEU 24 HD21 LEU 24 -1.767 -2.514 2.925
169 H ALA 25 H ALA 25 -3.506 -2.159 -3.101
170 HA ALA 25 HA ALA 25 -1.368 -4.041 -3.189
171 1HB ALA 25 HB2 ALA 25 -3.709 -4.415 -4.009
172 2HB ALA 25 HB1 ALA 25 -3.360 -3.335 -5.380
173 3HB ALA 25 HB3 ALA 25 -2.461 -4.858 -5.199
174 H VAL 26 H VAL 26 -2.208 -1.337 -5.472
175 HA VAL 26 HA VAL 26 0.150 -1.667 -7.049
176 HB VAL 26 HB VAL 26 -0.368 0.614 -7.904
177 1HG1 VAL 26 HG12 VAL 26 -1.550 -1.414 -8.752
178 2HG1 VAL 26 HG11 VAL 26 -2.834 -1.148 -7.548
179 3HG1 VAL 26 HG13 VAL 26 -2.563 0.045 -8.839
180 1HG2 VAL 26 HG23 VAL 26 -2.531 0.580 -5.753
181 2HG2 VAL 26 HG21 VAL 26 -1.134 1.678 -5.810
182 3HG2 VAL 26 HG22 VAL 26 -2.398 1.778 -7.055
183 H HIS 27 H HIS 27 -0.563 0.287 -4.144
184 HA HIS 27 HA HIS 27 1.866 1.778 -4.122
185 1HB HIS 27 HB2 HIS 27 -0.068 2.428 -2.825
186 2HB HIS 27 HB1 HIS 27 -0.056 0.891 -1.945
187 HD1 HIS 27 HD1 HIS 27 2.296 3.910 -2.445
188 HD2 HIS 27 HD2 HIS 27 1.248 1.055 0.414
189 HE1 HIS 27 HE1 HIS 27 3.557 4.466 -0.307
190 H LYS 28 H LYS 28 0.931 -1.375 -2.655
191 HA LYS 28 HA LYS 28 3.395 -1.868 -1.312
192 1HB LYS 28 H LYS 28 1.082 -3.541 -2.284
193 2HB LYS 28 H LYS 28 2.574 -4.344 -1.771
194 1HG LYS 28 H LYS 28 2.464 -3.336 0.426
195 2HG LYS 28 H LYS 28 1.118 -2.289 -0.072
196 1HD LYS 28 H LYS 28 0.062 -4.044 1.118
197 2HD LYS 28 H LYS 28 -0.171 -4.485 -0.586
198 1HE LYS 28 H LYS 28 2.201 -5.515 1.026
199 2HE LYS 28 H LYS 28 0.626 -6.331 1.063
200 1HZ LYS 28 H LYS 28 0.914 -6.198 -1.489
201 2HZ LYS 28 H LYS 28 2.524 -6.105 -1.123
202 3HZ LYS 28 H LYS 28 1.634 -7.399 -0.620
203 H HIS 29 H HIS 29 2.151 -2.977 -4.495
204 HA HIS 29 HA HIS 29 4.150 -4.515 -5.474
205 1HB HIS 29 HB2 HIS 29 2.049 -3.835 -6.641
206 2HB HIS 29 HB1 HIS 29 2.812 -2.286 -7.037
207 HD1 HIS 29 HD1 HIS 29 4.082 -5.925 -7.320
208 HD2 HIS 29 HD2 HIS 29 3.605 -2.479 -9.651
209 HE1 HIS 29 HE1 HIS 29 5.011 -6.423 -9.637
210 H LYS 30 H LYS 30 4.201 -0.898 -5.463
211 HA LYS 30 HA LYS 30 6.687 -0.643 -6.815
212 1HB LYS 30 H LYS 30 5.161 1.232 -6.595
213 2HB LYS 30 H LYS 30 5.251 1.159 -4.822
214 1HG LYS 30 H LYS 30 6.661 2.986 -5.743
215 2HG LYS 30 H LYS 30 7.638 1.775 -4.887
216 1HD LYS 30 H LYS 30 8.310 0.751 -7.007
217 2HD LYS 30 H LYS 30 7.214 1.817 -7.915
218 1HE LYS 30 H LYS 30 9.368 2.966 -6.114
219 2HE LYS 30 H LYS 30 9.761 2.425 -7.758
220 1HZ LYS 30 H LYS 30 8.078 3.908 -8.587
221 2HZ LYS 30 H LYS 30 7.734 4.431 -7.056
222 3HZ LYS 30 H LYS 30 9.214 4.733 -7.717
223 H HIS 31 H HIS 31 5.895 -0.900 -3.303
224 HA HIS 31 HA HIS 31 8.618 -0.536 -2.421
225 1HB HIS 31 HB2 HIS 31 6.176 -1.800 -1.113
226 2HB HIS 31 HB1 HIS 31 7.713 -1.515 -0.281
227 HD1 HIS 31 HD1 HIS 31 8.504 1.275 -0.919
228 HD2 HIS 31 HD2 HIS 31 4.487 0.218 -0.348
229 HE1 HIS 31 HE1 HIS 31 7.231 3.384 -0.293
230 H GLU 32 H GLU 32 6.542 -3.437 -2.874
231 HA GLU 32 HA GLU 32 8.747 -5.235 -2.229
232 1HB GLU 32 H GLU 32 7.056 -6.946 -2.331
233 2HB GLU 32 H GLU 32 6.315 -5.525 -1.559
234 1HG GLU 32 H GLU 32 5.594 -4.918 -4.014
235 2HG GLU 32 H GLU 32 5.868 -6.636 -4.333
236 H MET 33 H MET 33 8.909 -3.428 -4.689
237 HA MET 33 HA MET 33 8.676 -5.242 -6.958
238 1HB MET 33 HB1 MET 33 8.399 -2.662 -6.922
239 2HB MET 33 HB2 MET 33 10.171 -2.597 -6.888
240 1HG MET 33 HG1 MET 33 9.514 -2.466 -9.183
241 2HG MET 33 HG2 MET 33 10.159 -4.092 -8.937
242 1HE MET 33 HE2 MET 33 8.495 -3.165 -11.452
243 2HE MET 33 HE1 MET 33 9.102 -4.827 -11.256
244 3HE MET 33 HE3 MET 33 7.399 -4.548 -11.689
245 H THR 34 H THR 34 10.086 -6.821 -5.516
246 HA THR 34 HA THR 34 12.887 -6.342 -5.276
247 HB THR 34 HB THR 34 11.567 -8.052 -4.012
248 HG1 THR 34 HG1 THR 34 13.868 -8.178 -4.301
249 1HG2 THR 34 HG21 THR 34 10.251 -8.856 -6.025
250 2HG2 THR 34 HG22 THR 34 11.725 -9.681 -6.581
251 3HG2 THR 34 HG23 THR 34 10.966 -10.157 -5.047
252 H LEU 35 H LEU 35 10.947 -6.967 -8.071
253 HA LEU 35 HA LEU 35 12.904 -8.374 -9.647
254 1HB LEU 35 HB2 LEU 35 10.299 -6.930 -10.114
255 2HB LEU 35 HB1 LEU 35 11.354 -7.209 -11.512
256 HG LEU 35 HG LEU 35 9.613 -9.009 -11.102
257 1HD1 LEU 35 HD12 LEU 35 11.746 -9.353 -12.404
258 2HD1 LEU 35 HD11 LEU 35 12.492 -9.991 -10.921
259 3HD1 LEU 35 HD13 LEU 35 11.108 -10.832 -11.650
260 1HD2 LEU 35 HD22 LEU 35 9.874 -8.959 -8.580
261 2HD2 LEU 35 HD23 LEU 35 9.910 -10.583 -9.304
262 3HD2 LEU 35 HD21 LEU 35 11.423 -9.808 -8.791
263 H LYS 36 H LYS 36 12.104 -4.951 -9.021
264 HA LYS 36 HA LYS 36 14.708 -4.054 -9.770
265 1HB LYS 36 H LYS 36 13.862 -2.606 -11.744
266 2HB LYS 36 H LYS 36 14.182 -4.325 -12.055
267 1HG LYS 36 H LYS 36 11.431 -4.044 -11.183
268 2HG LYS 36 H LYS 36 11.737 -2.870 -12.476
269 1HD LYS 36 H LYS 36 12.702 -5.719 -12.815
270 2HD LYS 36 H LYS 36 10.984 -5.339 -13.066
271 1HE LYS 36 H LYS 36 12.174 -5.181 -15.197
272 2HE LYS 36 H LYS 36 11.621 -3.568 -14.698
273 1HZ LYS 36 H LYS 36 14.337 -4.626 -14.317
274 2HZ LYS 36 H LYS 36 13.879 -3.566 -15.497
275 3HZ LYS 36 H LYS 36 13.818 -3.114 -13.912
276 H PHE 37 H PHE 37 12.219 -1.952 -10.847
277 HA PHE 37 HA PHE 37 11.445 -0.822 -8.331
278 1HB PHE 37 HB1 PHE 37 12.678 1.325 -8.601
279 2HB PHE 37 HB2 PHE 37 13.759 -0.037 -8.309
280 HD1 PHE 37 HD2 PHE 37 15.089 -1.024 -10.212
281 HD2 PHE 37 HD1 PHE 37 12.865 2.647 -10.618
282 HE1 PHE 37 HE2 PHE 37 16.399 -0.451 -12.242
283 HE2 PHE 37 HE1 PHE 37 14.175 3.212 -12.647
284 HZ PHE 37 HZ PHE 37 15.941 1.664 -13.461
285 H GLY 38 H GLY 38 11.282 1.877 -9.660
286 1HA GLY 38 HA1 GLY 38 10.149 2.124 -12.086
287 2HA GLY 38 HA2 GLY 38 8.830 1.357 -11.169
No H/Q in entry = 287
Start of MODEL 12
1 1H MET 1 H2 MET 1 -3.910 2.461 17.842
2 2H MET 1 H3 MET 1 -3.376 1.410 16.689
3 3H MET 1 H1 MET 1 -2.535 2.794 16.995
4 HA MET 1 HA MET 1 -4.304 4.149 16.199
5 1HB MET 1 HB2 MET 1 -3.342 1.933 14.350
6 2HB MET 1 HB1 MET 1 -4.309 3.316 13.784
7 1HG MET 1 HG2 MET 1 -2.617 4.880 14.627
8 2HG MET 1 HG1 MET 1 -1.675 3.540 15.293
9 1HE MET 1 HE2 MET 1 -2.922 5.416 12.162
10 2HE MET 1 HE1 MET 1 -2.193 4.528 10.804
11 3HE MET 1 HE3 MET 1 -3.513 3.792 11.738
12 H SER 2 H SER 2 -5.018 0.800 15.057
13 HA SER 2 HA SER 2 -7.681 0.846 16.226
14 1HB SER 2 HB2 SER 2 -7.884 2.295 14.143
15 2HB SER 2 HB1 SER 2 -7.433 0.863 13.189
16 HG SER 2 HG SER 2 -9.653 1.118 14.948
17 H ASP 3 H ASP 3 -8.900 -1.162 14.917
18 HA ASP 3 HA ASP 3 -7.182 -3.452 15.529
19 1HB ASP 3 H ASP 3 -9.987 -3.487 14.367
20 2HB ASP 3 H ASP 3 -9.189 -4.734 15.345
21 H ASP 4 H ASP 4 -5.888 -2.227 13.516
22 HA ASP 4 HA ASP 4 -5.136 -2.364 11.353
23 1HB ASP 4 H ASP 4 -6.118 -5.230 11.680
24 2HB ASP 4 H ASP 4 -4.968 -4.662 10.453
25 H LYS 5 H LYS 5 -7.857 -1.400 11.695
26 HA LYS 5 HA LYS 5 -9.473 -2.576 9.585
27 1HB LYS 5 H LYS 5 -9.764 -0.339 11.572
28 2HB LYS 5 H LYS 5 -10.842 -0.380 10.158
29 1HG LYS 5 H LYS 5 -11.812 -2.413 10.802
30 2HG LYS 5 H LYS 5 -10.398 -2.901 11.766
31 1HD LYS 5 H LYS 5 -10.921 -1.211 13.465
32 2HD LYS 5 H LYS 5 -12.288 -0.616 12.490
33 1HE LYS 5 H LYS 5 -13.512 -2.653 12.784
34 2HE LYS 5 H LYS 5 -12.085 -3.510 13.403
35 1HZ LYS 5 H LYS 5 -13.456 -1.292 14.754
36 2HZ LYS 5 H LYS 5 -13.578 -2.886 15.154
37 3HZ LYS 5 H LYS 5 -12.134 -2.101 15.327
38 HA PRO 6 HA PRO 6 -8.388 1.494 7.283
39 1HB PRO 6 HB2 PRO 6 -5.998 2.747 8.161
40 2HB PRO 6 HB1 PRO 6 -7.664 3.344 8.394
41 1HG PRO 6 HG1 PRO 6 -5.832 2.150 10.361
42 2HG PRO 6 HG2 PRO 6 -7.364 3.030 10.634
43 1HD PRO 6 HD1 PRO 6 -6.919 0.213 10.817
44 2HD PRO 6 HD2 PRO 6 -8.479 1.074 10.926
45 H PHE 7 H PHE 7 -7.222 1.284 5.360
46 HA PHE 7 HA PHE 7 -5.366 -0.943 5.210
47 1HB PHE 7 HB2 PHE 7 -6.277 1.096 3.143
48 2HB PHE 7 HB1 PHE 7 -5.328 -0.358 2.798
49 HD1 PHE 7 HD1 PHE 7 -6.336 -2.638 3.246
50 HD2 PHE 7 HD2 PHE 7 -8.658 0.988 3.369
51 HE1 PHE 7 HE1 PHE 7 -8.423 -3.966 3.035
52 HE2 PHE 7 HE2 PHE 7 -10.744 -0.342 3.155
53 HZ PHE 7 HZ PHE 7 -10.627 -2.819 2.988
54 H LEU 8 H LEU 8 -3.688 -0.200 6.630
55 HA LEU 8 HA LEU 8 -2.149 2.172 5.777
56 1HB LEU 8 HB2 LEU 8 -2.736 1.699 8.199
57 2HB LEU 8 HB1 LEU 8 -1.689 0.266 8.108
58 HG LEU 8 HG LEU 8 0.170 1.886 7.304
59 1HD1 LEU 8 HD12 LEU 8 -1.888 3.854 8.400
60 2HD1 LEU 8 HD11 LEU 8 -0.169 4.244 8.167
61 3HD1 LEU 8 HD13 LEU 8 -1.185 3.836 6.767
62 1HD2 LEU 8 HD23 LEU 8 -0.968 2.145 10.122
63 2HD2 LEU 8 HD22 LEU 8 0.125 0.862 9.549
64 3HD2 LEU 8 HD21 LEU 8 0.697 2.544 9.640
65 H CYS 9 H CYS 9 -0.438 1.989 4.434
66 HA CYS 9 HA CYS 9 0.416 -0.544 3.407
67 1HB CYS 9 HB2 CYS 9 0.754 1.185 1.912
68 2HB CYS 9 HB1 CYS 9 1.286 2.319 3.165
69 H THR 10 H THR 10 2.025 -1.902 3.991
70 HA THR 10 HA THR 10 3.169 -1.636 6.626
71 HB THR 10 HB THR 10 4.032 -3.667 4.548
72 HG1 THR 10 HG1 THR 10 1.579 -3.628 5.985
73 1HG2 THR 10 HG21 THR 10 5.033 -3.700 6.823
74 2HG2 THR 10 HG22 THR 10 3.404 -3.815 7.532
75 3HG2 THR 10 HG23 THR 10 4.034 -5.143 6.529
76 H ALA 11 H ALA 11 4.258 0.531 6.047
77 HA ALA 11 HA ALA 11 7.079 -0.060 5.535
78 1HB ALA 11 HB1 ALA 11 5.511 1.899 3.819
79 2HB ALA 11 HB2 ALA 11 7.282 1.740 3.830
80 3HB ALA 11 HB3 ALA 11 6.271 0.389 3.266
81 HA PRO 12 HA PRO 12 7.160 2.879 8.830
82 1HB PRO 12 HB2 PRO 12 9.864 3.616 8.635
83 2HB PRO 12 HB1 PRO 12 9.232 2.192 9.510
84 1HG PRO 12 HG1 PRO 12 10.601 2.334 6.863
85 2HG PRO 12 HG2 PRO 12 10.506 0.975 8.022
86 1HD PRO 12 HD2 PRO 12 9.030 1.211 5.638
87 2HD PRO 12 HD1 PRO 12 8.634 0.125 7.005
88 H GLY 13 H GLY 13 9.508 4.085 6.360
89 1HA GLY 13 HA1 GLY 13 8.549 6.813 6.695
90 2HA GLY 13 HA2 GLY 13 9.837 6.249 5.611
91 H CYS 14 H CYS 14 6.761 4.572 5.424
92 HA CYS 14 HA CYS 14 5.669 6.337 3.360
93 1HB CYS 14 HB2 CYS 14 7.499 4.830 2.313
94 2HB CYS 14 HB1 CYS 14 6.350 3.505 2.560
95 H GLY 15 H GLY 15 4.742 5.492 5.914
96 1HA GLY 15 HA2 GLY 15 2.938 3.248 5.525
97 2HA GLY 15 HA1 GLY 15 3.054 4.300 6.951
98 H GLN 16 H GLN 16 2.184 4.608 3.448
99 HA GLN 16 HA GLN 16 0.327 6.759 3.963
100 1HB GLN 16 HB1 GLN 16 0.841 4.973 1.549
101 2HB GLN 16 HB2 GLN 16 -0.301 6.339 1.552
102 1HG GLN 16 HG2 GLN 16 1.585 7.839 2.282
103 2HG GLN 16 HG1 GLN 16 2.697 6.466 2.104
104 HE2 GLN 16 HE22 GLN 16 3.406 8.555 0.637
105 HE2 GLN 16 HE21 GLN 16 2.988 8.356 -1.050
106 H ARG 17 H ARG 17 -1.984 6.657 3.516
107 HA ARG 17 HA ARG 17 -3.174 4.022 4.257
108 1HB ARG 17 H ARG 17 -3.200 5.668 6.119
109 2HB ARG 17 H ARG 17 -4.087 6.811 5.089
110 1HG ARG 17 H ARG 17 -5.240 4.056 5.310
111 2HG ARG 17 H ARG 17 -5.296 5.045 6.785
112 1HD ARG 17 H ARG 17 -6.548 6.778 5.703
113 2HD ARG 17 H ARG 17 -6.230 6.111 4.093
114 HE ARG 17 H ARG 17 -7.860 4.454 4.417
115 1HH1 ARG 17 H ARG 17 -7.338 6.306 7.404
116 2HH1 ARG 17 H ARG 17 -8.863 5.837 8.116
117 1HH2 ARG 17 H ARG 17 -9.843 3.811 5.388
118 2HH2 ARG 17 H ARG 17 -10.265 4.371 6.990
119 H PHE 18 H PHE 18 -5.152 3.498 3.284
120 HA PHE 18 HA PHE 18 -6.081 5.319 1.122
121 1HB PHE 18 HB2 PHE 18 -5.500 2.356 0.773
122 2HB PHE 18 HB1 PHE 18 -6.106 3.473 -0.464
123 HD1 PHE 18 HD2 PHE 18 -3.171 2.572 1.622
124 HD2 PHE 18 HD1 PHE 18 -4.607 4.995 -1.628
125 HE1 PHE 18 HE2 PHE 18 -0.838 3.170 1.046
126 HE2 PHE 18 HE1 PHE 18 -2.265 5.597 -2.205
127 HZ PHE 18 HZ PHE 18 -0.385 4.690 -0.857
128 H THR 19 H THR 19 -8.206 4.609 0.237
129 HA THR 19 HA THR 19 -9.988 3.931 2.448
130 HB THR 19 HB THR 19 -11.731 4.330 0.624
131 HG1 THR 19 HG1 THR 19 -10.477 3.871 -1.172
132 1HG2 THR 19 HG23 THR 19 -10.973 6.108 2.186
133 2HG2 THR 19 HG22 THR 19 -9.636 6.505 1.079
134 3HG2 THR 19 HG21 THR 19 -11.321 6.767 0.570
135 H ASN 20 H ASN 20 -8.370 2.237 -0.126
136 HA ASN 20 HA ASN 20 -9.996 -0.181 0.461
137 1HB ASN 20 HB2 ASN 20 -9.831 -0.716 -2.013
138 2HB ASN 20 HB1 ASN 20 -10.955 0.593 -1.594
139 1HD2 ASN 20 HD21 ASN 20 -9.372 2.252 -4.335
140 2HD2 ASN 20 HD22 ASN 20 -10.777 1.342 -3.815
141 H GLU 21 H GLU 21 -8.915 -2.144 -0.564
142 HA GLU 21 HA GLU 21 -6.083 -2.131 0.174
143 1HB GLU 21 H GLU 21 -7.891 -3.952 0.680
144 2HB GLU 21 H GLU 21 -7.622 -4.460 -1.002
145 1HG GLU 21 H GLU 21 -5.229 -4.774 -0.557
146 2HG GLU 21 H GLU 21 -5.427 -4.150 1.094
147 H ASP 22 H ASP 22 -8.084 -1.832 -2.670
148 HA ASP 22 HA ASP 22 -6.401 -2.901 -4.669
149 1HB ASP 22 H ASP 22 -8.241 -0.474 -4.793
150 2HB ASP 22 H ASP 22 -7.645 -1.409 -6.181
151 H HIS 23 H HIS 23 -6.629 0.496 -3.419
152 HA HIS 23 HA HIS 23 -4.400 1.407 -4.988
153 1HB HIS 23 HB2 HIS 23 -5.582 2.545 -2.430
154 2HB HIS 23 HB1 HIS 23 -4.504 3.396 -3.549
155 HD1 HIS 23 HD1 HIS 23 -7.055 4.839 -3.121
156 HD2 HIS 23 HD2 HIS 23 -6.771 1.758 -5.944
157 HE1 HIS 23 HE1 HIS 23 -8.943 5.149 -4.795
158 H LEU 24 H LEU 24 -4.776 -0.146 -1.825
159 HA LEU 24 HA LEU 24 -2.123 0.457 -0.867
160 1HB LEU 24 HB2 LEU 24 -4.196 -0.418 0.425
161 2HB LEU 24 HB1 LEU 24 -3.729 -2.019 -0.184
162 HG LEU 24 HG LEU 24 -1.312 -1.286 0.748
163 1HD1 LEU 24 HD13 LEU 24 -3.312 0.475 2.164
164 2HD1 LEU 24 HD11 LEU 24 -1.846 -0.080 2.986
165 3HD1 LEU 24 HD12 LEU 24 -1.715 0.893 1.509
166 1HD2 LEU 24 HD21 LEU 24 -2.653 -3.248 1.491
167 2HD2 LEU 24 HD22 LEU 24 -1.891 -2.422 2.870
168 3HD2 LEU 24 HD23 LEU 24 -3.623 -2.181 2.536
169 H ALA 25 H ALA 25 -3.540 -2.095 -2.918
170 HA ALA 25 HA ALA 25 -1.364 -3.912 -2.860
171 1HB ALA 25 HB1 ALA 25 -3.641 -4.457 -3.660
172 2HB ALA 25 HB2 ALA 25 -3.405 -3.383 -5.058
173 3HB ALA 25 HB3 ALA 25 -2.408 -4.846 -4.882
174 H VAL 26 H VAL 26 -2.238 -1.478 -5.410
175 HA VAL 26 HA VAL 26 0.089 -1.889 -6.963
176 HB VAL 26 HB VAL 26 -0.409 0.345 -7.938
177 1HG1 VAL 26 HG12 VAL 26 -1.668 -1.705 -8.619
178 2HG1 VAL 26 HG13 VAL 26 -2.909 -1.321 -7.403
179 3HG1 VAL 26 HG11 VAL 26 -2.639 -0.224 -8.777
180 1HG2 VAL 26 HG22 VAL 26 -2.474 0.487 -5.700
181 2HG2 VAL 26 HG21 VAL 26 -1.077 1.564 -5.911
182 3HG2 VAL 26 HG23 VAL 26 -2.406 1.589 -7.088
183 H HIS 27 H HIS 27 -0.509 0.262 -4.166
184 HA HIS 27 HA HIS 27 1.981 1.659 -4.342
185 1HB HIS 27 HB2 HIS 27 0.000 2.473 -3.132
186 2HB HIS 27 HB1 HIS 27 0.123 1.116 -1.997
187 HD1 HIS 27 HD1 HIS 27 1.965 4.304 -3.033
188 HD2 HIS 27 HD2 HIS 27 1.923 1.486 0.044
189 HE1 HIS 27 HE1 HIS 27 3.462 5.180 -1.174
190 H LYS 28 H LYS 28 0.912 -1.291 -2.583
191 HA LYS 28 HA LYS 28 3.377 -1.723 -1.186
192 1HB LYS 28 H LYS 28 1.044 -3.500 -1.976
193 2HB LYS 28 H LYS 28 2.452 -4.133 -1.098
194 1HG LYS 28 H LYS 28 1.337 -1.624 0.036
195 2HG LYS 28 H LYS 28 0.224 -3.009 0.094
196 1HD LYS 28 H LYS 28 3.111 -3.311 0.982
197 2HD LYS 28 H LYS 28 1.879 -2.656 2.086
198 1HE LYS 28 H LYS 28 0.477 -4.681 1.711
199 2HE LYS 28 H LYS 28 1.740 -5.348 0.655
200 1HZ LYS 28 H LYS 28 3.231 -5.304 2.525
201 2HZ LYS 28 H LYS 28 2.053 -4.693 3.507
202 3HZ LYS 28 H LYS 28 1.896 -6.208 2.868
203 H HIS 29 H HIS 29 2.194 -2.557 -4.444
204 HA HIS 29 HA HIS 29 4.164 -4.499 -5.076
205 1HB HIS 29 HB2 HIS 29 2.033 -3.958 -6.336
206 2HB HIS 29 HB1 HIS 29 2.857 -2.530 -6.983
207 HD1 HIS 29 HD1 HIS 29 4.412 -6.032 -6.563
208 HD2 HIS 29 HD2 HIS 29 3.222 -3.384 -9.593
209 HE1 HIS 29 HE1 HIS 29 5.184 -6.994 -8.786
210 H LYS 30 H LYS 30 4.222 -0.914 -5.140
211 HA LYS 30 HA LYS 30 6.685 -0.686 -6.589
212 1HB LYS 30 H LYS 30 5.419 1.158 -4.520
213 2HB LYS 30 H LYS 30 6.778 1.595 -5.569
214 1HG LYS 30 H LYS 30 3.969 0.812 -6.479
215 2HG LYS 30 H LYS 30 4.662 2.444 -6.505
216 1HD LYS 30 H LYS 30 5.562 0.039 -8.162
217 2HD LYS 30 H LYS 30 4.782 1.520 -8.748
218 1HE LYS 30 H LYS 30 6.769 2.822 -7.836
219 2HE LYS 30 H LYS 30 7.569 1.263 -7.542
220 1HZ LYS 30 H LYS 30 6.575 2.138 -10.159
221 2HZ LYS 30 H LYS 30 8.143 2.283 -9.660
222 3HZ LYS 30 H LYS 30 7.468 0.786 -9.838
223 H HIS 31 H HIS 31 5.897 -1.028 -3.098
224 HA HIS 31 HA HIS 31 8.610 -0.787 -2.184
225 1HB HIS 31 HB2 HIS 31 6.142 -2.126 -1.022
226 2HB HIS 31 HB1 HIS 31 7.684 -2.005 -0.160
227 HD1 HIS 31 HD1 HIS 31 8.605 0.793 -0.472
228 HD2 HIS 31 HD2 HIS 31 4.538 -0.119 -0.059
229 HE1 HIS 31 HE1 HIS 31 7.431 2.882 0.362
230 H GLU 32 H GLU 32 6.533 -3.551 -3.126
231 HA GLU 32 HA GLU 32 8.303 -5.663 -2.541
232 1HB GLU 32 H GLU 32 5.900 -5.858 -3.233
233 2HB GLU 32 H GLU 32 6.369 -5.401 -4.885
234 1HG GLU 32 H GLU 32 7.871 -7.371 -5.002
235 2HG GLU 32 H GLU 32 7.388 -7.830 -3.355
236 H MET 33 H MET 33 8.003 -3.574 -5.448
237 HA MET 33 HA MET 33 10.257 -4.869 -6.792
238 1HB MET 33 HB1 MET 33 8.577 -2.395 -7.383
239 2HB MET 33 HB2 MET 33 9.879 -2.986 -8.441
240 1HG MET 33 HG1 MET 33 8.735 -5.118 -8.737
241 2HG MET 33 HG2 MET 33 7.491 -4.658 -7.569
242 1HE MET 33 HE2 MET 33 9.049 -4.085 -11.074
243 2HE MET 33 HE3 MET 33 8.019 -2.821 -11.786
244 3HE MET 33 HE1 MET 33 9.116 -2.422 -10.445
245 H THR 34 H THR 34 11.272 -4.240 -4.391
246 HA THR 34 HA THR 34 12.257 -1.605 -4.031
247 HB THR 34 HB THR 34 12.182 -3.360 -2.273
248 HG1 THR 34 HG1 THR 34 14.240 -2.848 -1.431
249 1HG2 THR 34 HG22 THR 34 12.982 -5.243 -3.775
250 2HG2 THR 34 HG23 THR 34 14.618 -4.551 -3.670
251 3HG2 THR 34 HG21 THR 34 13.810 -5.152 -2.206
252 H LEU 35 H LEU 35 13.488 -4.369 -5.925
253 HA LEU 35 HA LEU 35 15.269 -2.542 -7.374
254 1HB LEU 35 HB2 LEU 35 16.484 -3.540 -5.273
255 2HB LEU 35 HB1 LEU 35 16.480 -5.060 -6.193
256 HG LEU 35 HG LEU 35 17.462 -3.568 -8.143
257 1HD1 LEU 35 HD11 LEU 35 18.180 -1.938 -5.662
258 2HD1 LEU 35 HD12 LEU 35 18.838 -1.688 -7.296
259 3HD1 LEU 35 HD13 LEU 35 17.112 -1.404 -6.980
260 1HD2 LEU 35 HD23 LEU 35 19.078 -4.295 -5.659
261 2HD2 LEU 35 HD22 LEU 35 18.688 -5.385 -7.011
262 3HD2 LEU 35 HD21 LEU 35 19.756 -3.986 -7.276
263 H LYS 36 H LYS 36 12.865 -3.856 -8.104
264 HA LYS 36 HA LYS 36 13.672 -6.225 -9.670
265 1HB LYS 36 H LYS 36 11.548 -6.286 -8.428
266 2HB LYS 36 H LYS 36 10.996 -4.825 -9.273
267 1HG LYS 36 H LYS 36 10.006 -6.829 -10.300
268 2HG LYS 36 H LYS 36 11.113 -6.041 -11.444
269 1HD LYS 36 H LYS 36 12.846 -7.683 -11.013
270 2HD LYS 36 H LYS 36 11.945 -8.351 -9.632
271 1HE LYS 36 H LYS 36 11.670 -9.821 -11.563
272 2HE LYS 36 H LYS 36 10.118 -9.036 -11.197
273 1HZ LYS 36 H LYS 36 12.018 -8.156 -13.262
274 2HZ LYS 36 H LYS 36 10.642 -9.024 -13.540
275 3HZ LYS 36 H LYS 36 10.544 -7.487 -12.948
276 H PHE 37 H PHE 37 12.455 -2.876 -10.109
277 HA PHE 37 HA PHE 37 13.802 -2.677 -12.681
278 1HB PHE 37 HB1 PHE 37 11.804 -3.819 -13.434
279 2HB PHE 37 HB2 PHE 37 10.767 -2.733 -12.497
280 HD1 PHE 37 HD2 PHE 37 13.241 -2.772 -15.320
281 HD2 PHE 37 HD1 PHE 37 9.899 -0.767 -13.477
282 HE1 PHE 37 HE2 PHE 37 13.067 -1.254 -17.279
283 HE2 PHE 37 HE1 PHE 37 9.730 0.747 -15.437
284 HZ PHE 37 HZ PHE 37 11.313 0.505 -17.339
285 H GLY 38 H GLY 38 10.940 -1.147 -11.080
286 1HA GLY 38 HA2 GLY 38 12.143 1.011 -9.864
287 2HA GLY 38 HA1 GLY 38 11.962 1.513 -11.562
No H/Q in entry = 287
Start of MODEL 13
1 1H MET 1 H3 MET 1 -14.231 -4.269 16.303
2 2H MET 1 H2 MET 1 -13.043 -4.293 15.159
3 3H MET 1 H1 MET 1 -12.801 -5.027 16.617
4 HA MET 1 HA MET 1 -12.843 -2.978 17.771
5 1HB MET 1 HB2 MET 1 -11.007 -2.904 15.334
6 2HB MET 1 HB1 MET 1 -10.807 -1.932 16.808
7 1HG MET 1 HG2 MET 1 -10.743 -4.971 16.612
8 2HG MET 1 HG1 MET 1 -9.357 -3.905 16.879
9 1HE MET 1 HE2 MET 1 -10.007 -6.459 18.630
10 2HE MET 1 HE3 MET 1 -8.605 -5.395 18.895
11 3HE MET 1 HE1 MET 1 -9.659 -5.833 20.260
12 H SER 2 H SER 2 -12.634 -2.167 14.256
13 HA SER 2 HA SER 2 -14.729 -0.098 14.676
14 1HB SER 2 HB2 SER 2 -12.072 0.327 13.238
15 2HB SER 2 HB1 SER 2 -13.383 1.520 13.413
16 HG SER 2 HG SER 2 -11.741 1.790 14.989
17 H ASP 3 H ASP 3 -15.760 0.561 12.651
18 HA ASP 3 HA ASP 3 -16.287 -1.658 10.922
19 1HB ASP 3 H ASP 3 -17.928 0.115 11.410
20 2HB ASP 3 H ASP 3 -16.889 1.314 10.612
21 H ASP 4 H ASP 4 -14.643 1.504 10.323
22 HA ASP 4 HA ASP 4 -13.669 0.757 7.733
23 1HB ASP 4 H ASP 4 -13.912 3.095 8.342
24 2HB ASP 4 H ASP 4 -12.827 2.896 9.734
25 H LYS 5 H LYS 5 -11.780 -0.186 7.109
26 HA LYS 5 HA LYS 5 -9.970 -1.184 9.258
27 1HB LYS 5 H LYS 5 -11.128 -2.887 7.814
28 2HB LYS 5 H LYS 5 -10.326 -2.171 6.397
29 1HG LYS 5 H LYS 5 -8.102 -2.560 7.669
30 2HG LYS 5 H LYS 5 -9.050 -3.573 8.780
31 1HD LYS 5 H LYS 5 -8.301 -5.152 7.221
32 2HD LYS 5 H LYS 5 -9.899 -4.729 6.560
33 1HE LYS 5 H LYS 5 -8.829 -3.097 5.027
34 2HE LYS 5 H LYS 5 -7.236 -3.499 5.699
35 1HZ LYS 5 H LYS 5 -7.577 -5.751 4.933
36 2HZ LYS 5 H LYS 5 -9.024 -5.337 4.264
37 3HZ LYS 5 H LYS 5 -7.626 -4.680 3.676
38 HA PRO 6 HA PRO 6 -7.591 2.178 7.366
39 1HB PRO 6 HB1 PRO 6 -5.451 1.750 9.246
40 2HB PRO 6 HB2 PRO 6 -6.648 3.071 9.218
41 1HG PRO 6 HG2 PRO 6 -6.506 0.801 11.028
42 2HG PRO 6 HG1 PRO 6 -7.656 2.167 11.050
43 1HD PRO 6 HD2 PRO 6 -8.151 -0.559 10.245
44 2HD PRO 6 HD1 PRO 6 -9.291 0.819 10.227
45 H PHE 7 H PHE 7 -6.754 1.540 5.447
46 HA PHE 7 HA PHE 7 -5.136 -0.877 5.206
47 1HB PHE 7 HB2 PHE 7 -5.804 1.324 3.208
48 2HB PHE 7 HB1 PHE 7 -5.024 -0.213 2.823
49 HD1 PHE 7 HD2 PHE 7 -8.209 1.256 4.150
50 HD2 PHE 7 HD1 PHE 7 -6.298 -2.140 2.330
51 HE1 PHE 7 HE2 PHE 7 -10.423 0.223 3.772
52 HE2 PHE 7 HE1 PHE 7 -8.524 -3.174 1.950
53 HZ PHE 7 HZ PHE 7 -10.586 -1.994 2.667
54 H LEU 8 H LEU 8 -3.607 0.100 6.931
55 HA LEU 8 HA LEU 8 -1.817 2.217 5.974
56 1HB LEU 8 HB2 LEU 8 -1.970 0.480 8.465
57 2HB LEU 8 HB1 LEU 8 -0.613 1.590 8.168
58 HG LEU 8 HG LEU 8 -3.464 2.597 7.966
59 1HD1 LEU 8 HD12 LEU 8 -3.280 1.450 10.159
60 2HD1 LEU 8 HD11 LEU 8 -1.798 2.369 10.514
61 3HD1 LEU 8 HD13 LEU 8 -3.356 3.216 10.361
62 1HD2 LEU 8 HD21 LEU 8 -1.526 3.996 7.198
63 2HD2 LEU 8 HD22 LEU 8 -2.390 4.722 8.573
64 3HD2 LEU 8 HD23 LEU 8 -0.838 3.892 8.833
65 H CYS 9 H CYS 9 -0.364 1.713 4.405
66 HA CYS 9 HA CYS 9 0.622 -0.969 3.995
67 1HB CYS 9 HB2 CYS 9 0.513 0.662 2.170
68 2HB CYS 9 HB1 CYS 9 1.651 1.730 3.022
69 H THR 10 H THR 10 2.444 -1.970 4.762
70 HA THR 10 HA THR 10 3.879 -0.639 6.950
71 HB THR 10 HB THR 10 4.281 -3.428 5.789
72 HG1 THR 10 HG1 THR 10 2.524 -2.513 7.826
73 1HG2 THR 10 HG21 THR 10 4.828 -2.191 8.527
74 2HG2 THR 10 HG23 THR 10 5.085 -3.899 8.097
75 3HG2 THR 10 HG22 THR 10 6.055 -2.629 7.315
76 H ALA 11 H ALA 11 4.960 1.037 5.683
77 HA ALA 11 HA ALA 11 7.393 -0.025 4.349
78 1HB ALA 11 HB1 ALA 11 5.563 2.179 3.323
79 2HB ALA 11 HB2 ALA 11 7.190 1.847 2.687
80 3HB ALA 11 HB3 ALA 11 5.909 0.623 2.537
81 HA PRO 12 HA PRO 12 9.292 2.559 7.320
82 1HB PRO 12 HB1 PRO 12 11.628 3.220 5.855
83 2HB PRO 12 HB2 PRO 12 11.399 1.803 6.918
84 1HG PRO 12 HG2 PRO 12 11.359 1.967 3.947
85 2HG PRO 12 HG1 PRO 12 11.685 0.559 5.001
86 1HD PRO 12 HD1 PRO 12 9.313 1.012 3.580
87 2HD PRO 12 HD2 PRO 12 9.479 -0.079 4.989
88 H GLY 13 H GLY 13 8.251 4.474 7.632
89 1HA GLY 13 HA2 GLY 13 8.031 6.764 7.572
90 2HA GLY 13 HA1 GLY 13 9.298 6.833 6.332
91 H CYS 14 H CYS 14 7.864 4.991 4.453
92 HA CYS 14 HA CYS 14 6.286 7.074 3.175
93 1HB CYS 14 HB2 CYS 14 7.759 5.569 1.894
94 2HB CYS 14 HB1 CYS 14 6.773 4.176 2.397
95 H GLY 15 H GLY 15 5.642 3.852 4.582
96 1HA GLY 15 HA2 GLY 15 3.392 2.843 4.347
97 2HA GLY 15 HA1 GLY 15 3.634 3.542 5.956
98 H GLN 16 H GLN 16 2.224 4.159 2.718
99 HA GLN 16 HA GLN 16 0.669 6.438 3.673
100 1HB GLN 16 HB2 GLN 16 0.723 4.836 1.090
101 2HB GLN 16 HB1 GLN 16 -0.391 6.191 1.369
102 1HG GLN 16 HG1 GLN 16 1.544 7.683 1.809
103 2HG GLN 16 HG2 GLN 16 2.651 6.329 1.504
104 HE2 GLN 16 HE22 GLN 16 0.488 7.889 -1.692
105 HE2 GLN 16 HE21 GLN 16 -0.202 7.890 -0.083
106 H ARG 17 H ARG 17 -1.730 6.448 3.402
107 HA ARG 17 HA ARG 17 -2.937 3.836 4.178
108 1HB ARG 17 H ARG 17 -2.738 5.550 6.036
109 2HB ARG 17 H ARG 17 -3.839 6.587 5.111
110 1HG ARG 17 H ARG 17 -4.747 3.763 5.490
111 2HG ARG 17 H ARG 17 -4.645 4.730 6.975
112 1HD ARG 17 H ARG 17 -6.036 6.504 5.885
113 2HD ARG 17 H ARG 17 -6.209 5.463 4.455
114 HE ARG 17 H ARG 17 -6.990 4.111 6.899
115 1HH1 ARG 17 H ARG 17 -8.066 6.499 4.517
116 2HH1 ARG 17 H ARG 17 -9.762 6.115 4.695
117 1HH2 ARG 17 H ARG 17 -9.242 3.611 7.139
118 2HH2 ARG 17 H ARG 17 -10.424 4.393 6.110
119 H PHE 18 H PHE 18 -4.967 3.396 3.366
120 HA PHE 18 HA PHE 18 -6.171 5.320 1.463
121 1HB PHE 18 HB2 PHE 18 -5.582 2.424 0.737
122 2HB PHE 18 HB1 PHE 18 -6.301 3.666 -0.302
123 HD1 PHE 18 HD2 PHE 18 -3.178 2.503 1.311
124 HD2 PHE 18 HD1 PHE 18 -4.924 5.334 -1.416
125 HE1 PHE 18 HE2 PHE 18 -0.914 3.122 0.516
126 HE2 PHE 18 HE1 PHE 18 -2.654 5.963 -2.211
127 HZ PHE 18 HZ PHE 18 -0.650 4.860 -1.241
128 H THR 19 H THR 19 -8.274 4.066 0.574
129 HA THR 19 HA THR 19 -9.596 2.817 2.946
130 HB THR 19 HB THR 19 -11.116 4.297 0.795
131 HG1 THR 19 HG1 THR 19 -9.451 5.364 2.782
132 1HG2 THR 19 HG22 THR 19 -11.468 3.922 3.807
133 2HG2 THR 19 HG21 THR 19 -12.598 4.781 2.735
134 3HG2 THR 19 HG23 THR 19 -12.340 3.032 2.539
135 H ASN 20 H ASN 20 -8.092 1.801 0.363
136 HA ASN 20 HA ASN 20 -10.034 -0.336 -0.213
137 1HB ASN 20 HB2 ASN 20 -9.302 1.850 -2.093
138 2HB ASN 20 HB1 ASN 20 -9.130 0.214 -2.756
139 1HD2 ASN 20 HD22 ASN 20 -12.589 -0.468 -2.958
140 2HD2 ASN 20 HD21 ASN 20 -10.947 -1.053 -3.175
141 H GLU 21 H GLU 21 -9.031 -2.256 -0.721
142 HA GLU 21 HA GLU 21 -6.231 -2.510 -0.146
143 1HB GLU 21 H GLU 21 -8.272 -4.226 0.002
144 2HB GLU 21 H GLU 21 -7.783 -4.605 -1.663
145 1HG GLU 21 H GLU 21 -6.574 -6.120 -0.256
146 2HG GLU 21 H GLU 21 -5.402 -4.888 -0.764
147 H ASP 22 H ASP 22 -8.159 -2.007 -3.025
148 HA ASP 22 HA ASP 22 -6.437 -2.875 -5.060
149 1HB ASP 22 H ASP 22 -8.168 -0.376 -5.057
150 2HB ASP 22 H ASP 22 -7.714 -1.367 -6.458
151 H HIS 23 H HIS 23 -6.641 0.340 -3.448
152 HA HIS 23 HA HIS 23 -4.525 1.509 -4.984
153 1HB HIS 23 HB2 HIS 23 -5.537 2.273 -2.219
154 2HB HIS 23 HB1 HIS 23 -4.649 3.310 -3.349
155 HD1 HIS 23 HD1 HIS 23 -6.446 2.257 -5.901
156 HD2 HIS 23 HD2 HIS 23 -7.820 3.949 -2.329
157 HE1 HIS 23 HE1 HIS 23 -8.751 3.237 -6.347
158 H LEU 24 H LEU 24 -4.724 -0.183 -1.854
159 HA LEU 24 HA LEU 24 -2.007 0.293 -1.092
160 1HB LEU 24 HB2 LEU 24 -4.056 -0.552 0.292
161 2HB LEU 24 HB1 LEU 24 -3.585 -2.157 -0.307
162 HG LEU 24 HG LEU 24 -1.140 -1.362 0.500
163 1HD1 LEU 24 HD13 LEU 24 -3.098 0.405 1.984
164 2HD1 LEU 24 HD12 LEU 24 -1.541 -0.056 2.696
165 3HD1 LEU 24 HD11 LEU 24 -1.586 0.858 1.172
166 1HD2 LEU 24 HD23 LEU 24 -3.347 -2.222 2.431
167 2HD2 LEU 24 HD22 LEU 24 -2.405 -3.311 1.383
168 3HD2 LEU 24 HD21 LEU 24 -1.598 -2.416 2.693
169 H ALA 25 H ALA 25 -3.576 -2.053 -3.248
170 HA ALA 25 HA ALA 25 -1.487 -3.988 -3.291
171 1HB ALA 25 HB2 ALA 25 -3.804 -4.339 -4.154
172 2HB ALA 25 HB3 ALA 25 -3.440 -3.244 -5.506
173 3HB ALA 25 HB1 ALA 25 -2.552 -4.774 -5.339
174 H VAL 26 H VAL 26 -2.245 -1.372 -5.694
175 HA VAL 26 HA VAL 26 0.188 -1.753 -7.142
176 HB VAL 26 HB VAL 26 -0.344 0.447 -8.172
177 1HG1 VAL 26 HG12 VAL 26 -1.448 -1.666 -8.920
178 2HG1 VAL 26 HG11 VAL 26 -2.788 -1.341 -7.796
179 3HG1 VAL 26 HG13 VAL 26 -2.481 -0.238 -9.158
180 1HG2 VAL 26 HG23 VAL 26 -2.596 0.510 -6.113
181 2HG2 VAL 26 HG21 VAL 26 -1.219 1.631 -6.192
182 3HG2 VAL 26 HG22 VAL 26 -2.431 1.619 -7.490
183 H HIS 27 H HIS 27 -0.662 0.294 -4.342
184 HA HIS 27 HA HIS 27 1.701 1.901 -4.370
185 1HB HIS 27 HB2 HIS 27 -0.145 2.672 -3.110
186 2HB HIS 27 HB1 HIS 27 -0.346 1.114 -2.295
187 HD1 HIS 27 HD1 HIS 27 1.928 4.187 -2.282
188 HD2 HIS 27 HD2 HIS 27 1.102 0.802 0.026
189 HE1 HIS 27 HE1 HIS 27 3.144 4.447 -0.064
190 H LYS 28 H LYS 28 0.851 -0.948 -2.295
191 HA LYS 28 HA LYS 28 3.426 -1.117 -1.125
192 1HB LYS 28 H LYS 28 2.640 -2.973 0.007
193 2HB LYS 28 H LYS 28 1.120 -2.148 -0.387
194 1HG LYS 28 H LYS 28 0.961 -3.620 -2.452
195 2HG LYS 28 H LYS 28 2.373 -4.517 -1.850
196 1HD LYS 28 H LYS 28 1.081 -4.904 0.308
197 2HD LYS 28 H LYS 28 -0.343 -4.209 -0.503
198 1HE LYS 28 H LYS 28 -0.576 -6.543 -0.835
199 2HE LYS 28 H LYS 28 0.097 -5.954 -2.371
200 1HZ LYS 28 H LYS 28 1.656 -7.152 -0.182
201 2HZ LYS 28 H LYS 28 1.203 -7.926 -1.564
202 3HZ LYS 28 H LYS 28 2.257 -6.657 -1.639
203 H HIS 29 H HIS 29 2.046 -2.552 -4.101
204 HA HIS 29 HA HIS 29 4.020 -4.508 -4.577
205 1HB HIS 29 HB2 HIS 29 2.024 -4.380 -5.927
206 2HB HIS 29 HB1 HIS 29 2.435 -2.746 -6.479
207 HD1 HIS 29 HD1 HIS 29 4.223 -2.500 -8.360
208 HD2 HIS 29 HD2 HIS 29 3.504 -6.461 -7.204
209 HE1 HIS 29 HE1 HIS 29 5.326 -4.019 -10.077
210 H LYS 30 H LYS 30 3.989 -0.997 -5.343
211 HA LYS 30 HA LYS 30 6.413 -0.916 -6.800
212 1HB LYS 30 H LYS 30 4.667 0.881 -6.636
213 2HB LYS 30 H LYS 30 5.234 1.223 -4.984
214 1HG LYS 30 H LYS 30 7.394 1.918 -5.764
215 2HG LYS 30 H LYS 30 7.103 1.244 -7.384
216 1HD LYS 30 H LYS 30 6.869 3.704 -7.394
217 2HD LYS 30 H LYS 30 5.322 2.917 -7.781
218 1HE LYS 30 H LYS 30 5.911 3.555 -4.894
219 2HE LYS 30 H LYS 30 5.497 4.899 -5.977
220 1HZ LYS 30 H LYS 30 3.491 3.746 -6.557
221 2HZ LYS 30 H LYS 30 3.867 2.491 -5.557
222 3HZ LYS 30 H LYS 30 3.566 3.983 -4.926
223 H HIS 31 H HIS 31 5.777 -1.141 -3.325
224 HA HIS 31 HA HIS 31 8.580 -0.459 -2.636
225 1HB HIS 31 HB2 HIS 31 6.209 -1.281 -0.922
226 2HB HIS 31 HB1 HIS 31 7.748 -0.622 -0.334
227 HD1 HIS 31 HD1 HIS 31 8.222 1.826 -2.016
228 HD2 HIS 31 HD2 HIS 31 4.388 0.784 -0.663
229 HE1 HIS 31 HE1 HIS 31 6.797 3.931 -2.032
230 H GLU 32 H GLU 32 6.396 -3.213 -2.904
231 HA GLU 32 HA GLU 32 8.014 -5.050 -1.368
232 1HB GLU 32 H GLU 32 5.476 -5.033 -1.714
233 2HB GLU 32 H GLU 32 5.784 -5.647 -3.354
234 1HG GLU 32 H GLU 32 6.825 -7.647 -2.483
235 2HG GLU 32 H GLU 32 6.827 -6.994 -0.830
236 H MET 33 H MET 33 7.595 -4.204 -4.810
237 HA MET 33 HA MET 33 9.024 -6.495 -5.813
238 1HB MET 33 HB2 MET 33 8.881 -5.431 -7.940
239 2HB MET 33 HB1 MET 33 7.385 -4.998 -7.083
240 1HG MET 33 HG1 MET 33 8.536 -2.852 -6.367
241 2HG MET 33 HG2 MET 33 9.872 -3.283 -7.448
242 1HE MET 33 HE1 MET 33 8.719 -0.542 -7.728
243 2HE MET 33 HE2 MET 33 9.857 -1.195 -8.928
244 3HE MET 33 HE3 MET 33 8.367 -0.384 -9.464
245 H THR 34 H THR 34 11.146 -6.590 -6.691
246 HA THR 34 HA THR 34 13.012 -4.396 -6.127
247 HB THR 34 HB THR 34 13.106 -5.422 -3.975
248 HG1 THR 34 HG1 THR 34 15.140 -6.600 -5.570
249 1HG2 THR 34 HG21 THR 34 13.139 -8.086 -5.461
250 2HG2 THR 34 HG23 THR 34 13.480 -7.913 -3.725
251 3HG2 THR 34 HG22 THR 34 11.880 -7.475 -4.363
252 H LEU 35 H LEU 35 12.623 -4.695 -8.545
253 HA LEU 35 HA LEU 35 13.402 -5.322 -10.599
254 1HB LEU 35 HB2 LEU 35 15.615 -4.928 -9.205
255 2HB LEU 35 HB1 LEU 35 15.771 -6.695 -9.317
256 HG LEU 35 HG LEU 35 15.298 -6.308 -11.886
257 1HD1 LEU 35 HD12 LEU 35 16.339 -3.574 -11.010
258 2HD1 LEU 35 HD11 LEU 35 16.145 -4.122 -12.691
259 3HD1 LEU 35 HD13 LEU 35 14.715 -3.904 -11.656
260 1HD2 LEU 35 HD22 LEU 35 17.918 -5.486 -10.558
261 2HD2 LEU 35 HD21 LEU 35 17.424 -7.147 -10.962
262 3HD2 LEU 35 HD23 LEU 35 17.735 -5.971 -12.260
263 H LYS 36 H LYS 36 11.635 -7.083 -9.035
264 HA LYS 36 HA LYS 36 11.783 -9.430 -10.719
265 1HB LYS 36 H LYS 36 13.469 -9.856 -8.808
266 2HB LYS 36 H LYS 36 12.063 -9.899 -7.722
267 1HG LYS 36 H LYS 36 11.063 -11.707 -9.140
268 2HG LYS 36 H LYS 36 12.524 -11.680 -10.160
269 1HD LYS 36 H LYS 36 13.813 -12.028 -7.900
270 2HD LYS 36 H LYS 36 12.235 -12.550 -7.265
271 1HE LYS 36 H LYS 36 13.615 -13.717 -9.727
272 2HE LYS 36 H LYS 36 13.625 -14.452 -8.112
273 1HZ LYS 36 H LYS 36 11.208 -14.542 -8.247
274 2HZ LYS 36 H LYS 36 11.260 -13.966 -9.795
275 3HZ LYS 36 H LYS 36 11.940 -15.427 -9.433
276 H PHE 37 H PHE 37 9.669 -9.363 -11.313
277 HA PHE 37 HA PHE 37 7.575 -8.292 -9.698
278 1HB PHE 37 HB2 PHE 37 7.494 -8.436 -12.156
279 2HB PHE 37 HB1 PHE 37 7.488 -10.205 -12.064
280 HD1 PHE 37 HD1 PHE 37 5.539 -7.147 -11.138
281 HD2 PHE 37 HD2 PHE 37 5.456 -11.408 -11.771
282 HE1 PHE 37 HE1 PHE 37 3.060 -7.124 -10.980
283 HE2 PHE 37 HE2 PHE 37 2.977 -11.381 -11.614
284 HZ PHE 37 HZ PHE 37 1.779 -9.240 -11.219
285 H GLY 38 H GLY 38 8.689 -11.640 -10.352
286 1HA GLY 38 HA1 GLY 38 7.668 -12.539 -7.778
287 2HA GLY 38 HA2 GLY 38 6.802 -13.211 -9.183
No H/Q in entry = 287
Start of MODEL 14
1 1H MET 1 H3 MET 1 -16.623 4.635 10.916
2 2H MET 1 H1 MET 1 -17.575 4.268 12.214
3 3H MET 1 H2 MET 1 -18.245 4.384 10.713
4 HA MET 1 HA MET 1 -17.901 6.676 10.583
5 1HB MET 1 HB1 MET 1 -19.890 5.815 11.879
6 2HB MET 1 HB2 MET 1 -18.959 6.051 13.373
7 1HG MET 1 HG2 MET 1 -19.284 8.297 11.367
8 2HG MET 1 HG1 MET 1 -20.568 7.946 12.532
9 1HE MET 1 HE1 MET 1 -20.549 8.431 14.993
10 2HE MET 1 HE2 MET 1 -19.258 7.229 15.224
11 3HE MET 1 HE3 MET 1 -19.110 8.843 15.954
12 H SER 2 H SER 2 -17.063 5.870 14.018
13 HA SER 2 HA SER 2 -15.244 8.055 14.281
14 1HB SER 2 HB2 SER 2 -15.261 5.422 15.818
15 2HB SER 2 HB1 SER 2 -14.612 6.987 16.366
16 HG SER 2 HG SER 2 -16.762 7.808 16.193
17 H ASP 3 H ASP 3 -14.931 4.653 13.316
18 HA ASP 3 HA ASP 3 -12.141 5.189 12.405
19 1HB ASP 3 H ASP 3 -12.200 3.614 14.310
20 2HB ASP 3 H ASP 3 -13.383 2.606 13.449
21 H ASP 4 H ASP 4 -11.556 3.945 10.445
22 HA ASP 4 HA ASP 4 -13.864 3.022 8.818
23 1HB ASP 4 H ASP 4 -12.965 4.370 6.889
24 2HB ASP 4 H ASP 4 -13.647 5.347 8.203
25 H LYS 5 H LYS 5 -11.632 1.693 10.267
26 HA LYS 5 HA LYS 5 -9.965 0.159 9.940
27 1HB LYS 5 H LYS 5 -12.066 -0.845 8.841
28 2HB LYS 5 H LYS 5 -11.317 -0.421 7.289
29 1HG LYS 5 H LYS 5 -9.201 -1.656 8.269
30 2HG LYS 5 H LYS 5 -10.355 -2.357 9.416
31 1HD LYS 5 H LYS 5 -10.132 -3.889 7.545
32 2HD LYS 5 H LYS 5 -11.747 -3.151 7.472
33 1HE LYS 5 H LYS 5 -10.437 -3.313 5.259
34 2HE LYS 5 H LYS 5 -11.133 -1.731 5.654
35 1HZ LYS 5 H LYS 5 -8.355 -2.474 6.239
36 2HZ LYS 5 H LYS 5 -8.824 -1.689 4.869
37 3HZ LYS 5 H LYS 5 -9.035 -0.971 6.338
38 HA PRO 6 HA PRO 6 -7.693 3.181 7.190
39 1HB PRO 6 HB2 PRO 6 -5.481 2.810 9.072
40 2HB PRO 6 HB1 PRO 6 -6.344 4.308 8.628
41 1HG PRO 6 HG1 PRO 6 -6.591 2.815 11.063
42 2HG PRO 6 HG2 PRO 6 -7.564 4.223 10.553
43 1HD PRO 6 HD2 PRO 6 -8.369 1.442 10.712
44 2HD PRO 6 HD1 PRO 6 -9.356 2.860 10.253
45 H PHE 7 H PHE 7 -6.811 2.298 5.408
46 HA PHE 7 HA PHE 7 -5.677 -0.397 5.490
47 1HB PHE 7 HB2 PHE 7 -5.976 1.658 3.261
48 2HB PHE 7 HB1 PHE 7 -5.381 0.010 3.038
49 HD1 PHE 7 HD2 PHE 7 -8.394 1.868 4.360
50 HD2 PHE 7 HD1 PHE 7 -6.883 -1.682 2.439
51 HE1 PHE 7 HE2 PHE 7 -10.714 1.083 3.989
52 HE2 PHE 7 HE1 PHE 7 -9.216 -2.461 2.070
53 HZ PHE 7 HZ PHE 7 -11.127 -1.079 2.839
54 H LEU 8 H LEU 8 -4.026 0.451 7.134
55 HA LEU 8 HA LEU 8 -1.960 2.240 6.212
56 1HB LEU 8 HB2 LEU 8 -2.807 1.461 8.650
57 2HB LEU 8 HB1 LEU 8 -1.495 0.284 8.449
58 HG LEU 8 HG LEU 8 -0.627 2.245 9.597
59 1HD1 LEU 8 HD12 LEU 8 0.783 1.124 7.811
60 2HD1 LEU 8 HD13 LEU 8 0.309 2.438 6.709
61 3HD1 LEU 8 HD11 LEU 8 1.233 2.804 8.181
62 1HD2 LEU 8 HD23 LEU 8 -2.446 3.788 8.620
63 2HD2 LEU 8 HD21 LEU 8 -0.819 4.482 8.814
64 3HD2 LEU 8 HD22 LEU 8 -1.380 3.969 7.208
65 H CYS 9 H CYS 9 -0.554 1.724 4.625
66 HA CYS 9 HA CYS 9 -0.105 -0.962 3.762
67 1HB CYS 9 HB2 CYS 9 0.996 0.019 2.035
68 2HB CYS 9 HB1 CYS 9 0.312 1.526 2.686
69 H THR 10 H THR 10 1.406 -2.468 4.263
70 HA THR 10 HA THR 10 3.053 -1.966 6.649
71 HB THR 10 HB THR 10 3.543 -4.490 6.235
72 HG1 THR 10 HG1 THR 10 1.928 -5.461 4.940
73 1HG2 THR 10 HG21 THR 10 0.702 -3.517 6.786
74 2HG2 THR 10 HG23 THR 10 1.360 -5.107 7.240
75 3HG2 THR 10 HG22 THR 10 2.016 -3.628 7.982
76 H ALA 11 H ALA 11 4.705 -0.612 5.946
77 HA ALA 11 HA ALA 11 6.770 -1.938 4.305
78 1HB ALA 11 HB3 ALA 11 5.398 0.682 3.645
79 2HB ALA 11 HB1 ALA 11 7.064 0.365 3.122
80 3HB ALA 11 HB2 ALA 11 5.744 -0.693 2.575
81 HA PRO 12 HA PRO 12 9.327 -0.279 7.437
82 1HB PRO 12 HB1 PRO 12 11.659 0.323 5.996
83 2HB PRO 12 HB2 PRO 12 11.200 -1.294 6.605
84 1HG PRO 12 HG1 PRO 12 11.021 -0.187 3.832
85 2HG PRO 12 HG2 PRO 12 11.229 -1.882 4.367
86 1HD PRO 12 HD2 PRO 12 8.844 -0.761 3.433
87 2HD PRO 12 HD1 PRO 12 8.957 -2.234 4.438
88 H GLY 13 H GLY 13 10.454 1.653 4.604
89 1HA GLY 13 HA1 GLY 13 10.293 4.094 6.231
90 2HA GLY 13 HA2 GLY 13 11.028 3.916 4.626
91 H CYS 14 H CYS 14 7.730 2.761 5.348
92 HA CYS 14 HA CYS 14 6.474 5.205 4.377
93 1HB CYS 14 HB2 CYS 14 7.295 4.213 2.250
94 2HB CYS 14 HB1 CYS 14 6.403 2.719 2.623
95 H GLY 15 H GLY 15 4.315 5.290 4.934
96 1HA GLY 15 HA2 GLY 15 2.899 2.822 5.708
97 2HA GLY 15 HA1 GLY 15 3.194 4.015 6.994
98 H GLN 16 H GLN 16 2.164 4.066 3.524
99 HA GLN 16 HA GLN 16 0.486 6.386 3.956
100 1HB GLN 16 HB2 GLN 16 0.952 4.486 1.637
101 2HB GLN 16 HB1 GLN 16 -0.209 5.828 1.552
102 1HG GLN 16 HG2 GLN 16 2.576 6.430 2.517
103 2HG GLN 16 HG1 GLN 16 2.339 6.124 0.786
104 HE2 GLN 16 HE22 GLN 16 1.506 8.240 3.502
105 HE2 GLN 16 HE21 GLN 16 0.884 9.558 2.536
106 H ARG 17 H ARG 17 -1.798 6.463 3.514
107 HA ARG 17 HA ARG 17 -3.251 3.956 4.227
108 1HB ARG 17 H ARG 17 -3.237 5.649 6.057
109 2HB ARG 17 H ARG 17 -3.967 6.834 4.954
110 1HG ARG 17 H ARG 17 -5.348 4.181 5.178
111 2HG ARG 17 H ARG 17 -5.418 5.227 6.610
112 1HD ARG 17 H ARG 17 -6.539 6.965 5.450
113 2HD ARG 17 H ARG 17 -6.073 6.333 3.860
114 HE ARG 17 H ARG 17 -7.846 4.841 3.904
115 1HH1 ARG 17 H ARG 17 -7.521 6.435 7.065
116 2HH1 ARG 17 H ARG 17 -8.998 5.736 7.704
117 1HH2 ARG 17 H ARG 17 -9.764 3.926 4.783
118 2HH2 ARG 17 H ARG 17 -10.205 4.238 6.453
119 H PHE 18 H PHE 18 -5.254 3.636 3.159
120 HA PHE 18 HA PHE 18 -5.914 5.511 0.959
121 1HB PHE 18 HB2 PHE 18 -5.450 2.533 0.569
122 2HB PHE 18 HB1 PHE 18 -5.960 3.697 -0.668
123 HD1 PHE 18 HD2 PHE 18 -3.152 2.579 1.456
124 HD2 PHE 18 HD1 PHE 18 -4.363 5.213 -1.716
125 HE1 PHE 18 HE2 PHE 18 -0.773 3.045 0.948
126 HE2 PHE 18 HE1 PHE 18 -1.977 5.698 -2.219
127 HZ PHE 18 HZ PHE 18 -0.184 4.620 -0.878
128 H THR 19 H THR 19 -7.995 4.892 -0.083
129 HA THR 19 HA THR 19 -9.963 4.259 1.969
130 HB THR 19 HB THR 19 -11.511 4.623 -0.080
131 HG1 THR 19 HG1 THR 19 -10.511 5.515 -1.852
132 1HG2 THR 19 HG21 THR 19 -9.571 6.819 0.775
133 2HG2 THR 19 HG22 THR 19 -11.159 7.074 0.014
134 3HG2 THR 19 HG23 THR 19 -11.057 6.350 1.637
135 H ASN 20 H ASN 20 -8.346 2.573 -0.693
136 HA ASN 20 HA ASN 20 -10.052 0.182 -0.152
137 1HB ASN 20 HB2 ASN 20 -9.142 1.275 -2.847
138 2HB ASN 20 HB1 ASN 20 -9.905 -0.309 -2.602
139 1HD2 ASN 20 HD21 ASN 20 -13.193 0.913 -2.336
140 2HD2 ASN 20 HD22 ASN 20 -12.111 -0.461 -2.292
141 H GLU 21 H GLU 21 -9.024 -1.841 -0.481
142 HA GLU 21 HA GLU 21 -6.207 -1.876 0.113
143 1HB GLU 21 H GLU 21 -6.454 -4.331 -0.059
144 2HB GLU 21 H GLU 21 -7.724 -3.614 0.951
145 1HG GLU 21 H GLU 21 -9.198 -3.598 -1.157
146 2HG GLU 21 H GLU 21 -7.956 -4.615 -1.913
147 H ASP 22 H ASP 22 -8.135 -1.909 -2.822
148 HA ASP 22 HA ASP 22 -6.317 -3.066 -4.645
149 1HB ASP 22 H ASP 22 -8.166 -0.682 -5.071
150 2HB ASP 22 H ASP 22 -7.527 -1.764 -6.326
151 H HIS 23 H HIS 23 -6.615 0.271 -3.370
152 HA HIS 23 HA HIS 23 -4.459 1.347 -4.945
153 1HB HIS 23 HB2 HIS 23 -5.573 2.313 -2.289
154 2HB HIS 23 HB1 HIS 23 -4.663 3.272 -3.467
155 HD1 HIS 23 HD1 HIS 23 -7.648 3.917 -2.443
156 HD2 HIS 23 HD2 HIS 23 -6.625 2.065 -6.057
157 HE1 HIS 23 HE1 HIS 23 -9.578 4.263 -4.062
158 H LEU 24 H LEU 24 -4.728 -0.328 -1.840
159 HA LEU 24 HA LEU 24 -2.074 0.286 -0.912
160 1HB LEU 24 HB2 LEU 24 -4.194 -0.629 0.350
161 2HB LEU 24 HB1 LEU 24 -3.612 -2.214 -0.194
162 HG LEU 24 HG LEU 24 -1.290 -1.425 0.784
163 1HD1 LEU 24 HD11 LEU 24 -3.287 0.524 1.959
164 2HD1 LEU 24 HD12 LEU 24 -1.809 0.079 2.827
165 3HD1 LEU 24 HD13 LEU 24 -1.696 0.857 1.238
166 1HD2 LEU 24 HD21 LEU 24 -2.718 -3.243 1.732
167 2HD2 LEU 24 HD23 LEU 24 -1.943 -2.282 3.014
168 3HD2 LEU 24 HD22 LEU 24 -3.660 -2.023 2.625
169 H ALA 25 H ALA 25 -3.532 -2.205 -2.991
170 HA ALA 25 HA ALA 25 -1.388 -4.061 -2.984
171 1HB ALA 25 HB2 ALA 25 -3.691 -4.506 -3.820
172 2HB ALA 25 HB1 ALA 25 -3.379 -3.428 -5.200
173 3HB ALA 25 HB3 ALA 25 -2.443 -4.929 -5.016
174 H VAL 26 H VAL 26 -2.205 -1.512 -5.436
175 HA VAL 26 HA VAL 26 0.156 -1.896 -6.971
176 HB VAL 26 HB VAL 26 -0.360 0.339 -7.928
177 1HG1 VAL 26 HG11 VAL 26 -1.584 -1.716 -8.653
178 2HG1 VAL 26 HG13 VAL 26 -2.847 -1.363 -7.451
179 3HG1 VAL 26 HG12 VAL 26 -2.570 -0.244 -8.806
180 1HG2 VAL 26 HG23 VAL 26 -2.477 0.432 -5.733
181 2HG2 VAL 26 HG21 VAL 26 -1.074 1.514 -5.879
182 3HG2 VAL 26 HG22 VAL 26 -2.367 1.563 -7.096
183 H HIS 27 H HIS 27 -0.527 0.152 -4.129
184 HA HIS 27 HA HIS 27 1.893 1.663 -4.232
185 1HB HIS 27 HB2 HIS 27 -0.107 2.336 -2.991
186 2HB HIS 27 HB1 HIS 27 0.045 0.917 -1.939
187 HD1 HIS 27 HD1 HIS 27 2.085 4.052 -2.873
188 HD2 HIS 27 HD2 HIS 27 1.493 1.393 0.291
189 HE1 HIS 27 HE1 HIS 27 3.403 4.929 -0.880
190 H LYS 28 H LYS 28 0.969 -1.391 -2.548
191 HA LYS 28 HA LYS 28 3.491 -1.735 -1.226
192 1HB LYS 28 H LYS 28 1.108 -3.463 -1.865
193 2HB LYS 28 H LYS 28 2.612 -4.240 -1.337
194 1HG LYS 28 H LYS 28 2.656 -2.690 0.652
195 2HG LYS 28 H LYS 28 1.068 -2.071 0.144
196 1HD LYS 28 H LYS 28 0.296 -3.717 1.542
197 2HD LYS 28 H LYS 28 0.543 -4.745 0.114
198 1HE LYS 28 H LYS 28 2.674 -4.271 2.248
199 2HE LYS 28 H LYS 28 1.538 -5.633 2.285
200 1HZ LYS 28 H LYS 28 2.396 -6.252 0.099
201 2HZ LYS 28 H LYS 28 3.546 -5.069 0.210
202 3HZ LYS 28 H LYS 28 3.535 -6.322 1.286
203 H HIS 29 H HIS 29 2.163 -2.855 -4.373
204 HA HIS 29 HA HIS 29 4.204 -4.594 -5.143
205 1HB HIS 29 HB2 HIS 29 2.034 -4.072 -6.342
206 2HB HIS 29 HB1 HIS 29 2.798 -2.597 -6.955
207 HD1 HIS 29 HD1 HIS 29 5.633 -4.555 -7.149
208 HD2 HIS 29 HD2 HIS 29 1.979 -4.805 -9.184
209 HE1 HIS 29 HE1 HIS 29 6.031 -5.853 -9.300
210 H LYS 30 H LYS 30 4.044 -1.006 -5.492
211 HA LYS 30 HA LYS 30 6.471 -0.652 -6.877
212 1HB LYS 30 H LYS 30 4.807 1.121 -6.597
213 2HB LYS 30 H LYS 30 5.061 1.124 -4.841
214 1HG LYS 30 H LYS 30 6.268 2.991 -5.918
215 2HG LYS 30 H LYS 30 7.404 1.855 -5.162
216 1HD LYS 30 H LYS 30 8.008 0.900 -7.280
217 2HD LYS 30 H LYS 30 6.634 1.677 -8.103
218 1HE LYS 30 H LYS 30 7.614 3.889 -7.736
219 2HE LYS 30 H LYS 30 8.935 3.181 -6.781
220 1HZ LYS 30 H LYS 30 8.422 2.593 -9.611
221 2HZ LYS 30 H LYS 30 9.543 3.675 -9.060
222 3HZ LYS 30 H LYS 30 9.701 2.071 -8.709
223 H HIS 31 H HIS 31 5.825 -0.872 -3.335
224 HA HIS 31 HA HIS 31 8.508 -0.313 -2.524
225 1HB HIS 31 HB2 HIS 31 6.240 -1.827 -1.183
226 2HB HIS 31 HB1 HIS 31 7.772 -1.437 -0.386
227 HD1 HIS 31 HD1 HIS 31 8.177 1.487 -1.343
228 HD2 HIS 31 HD2 HIS 31 4.532 -0.038 0.062
229 HE1 HIS 31 HE1 HIS 31 6.791 3.446 -0.511
230 H GLU 32 H GLU 32 6.729 -3.418 -2.903
231 HA GLU 32 HA GLU 32 8.996 -5.049 -2.272
232 1HB GLU 32 H GLU 32 6.257 -5.474 -3.467
233 2HB GLU 32 H GLU 32 7.454 -6.786 -3.545
234 1HG GLU 32 H GLU 32 6.186 -7.106 -1.521
235 2HG GLU 32 H GLU 32 7.795 -6.527 -1.049
236 H MET 33 H MET 33 8.201 -3.255 -5.144
237 HA MET 33 HA MET 33 9.212 -4.963 -7.154
238 1HB MET 33 HB1 MET 33 7.994 -2.643 -7.292
239 2HB MET 33 HB2 MET 33 9.629 -1.965 -7.212
240 1HG MET 33 HG2 MET 33 10.270 -3.429 -9.143
241 2HG MET 33 HG1 MET 33 8.597 -3.993 -9.231
242 1HE MET 33 HE1 MET 33 11.147 -1.180 -9.906
243 2HE MET 33 HE2 MET 33 10.143 0.226 -10.328
244 3HE MET 33 HE3 MET 33 10.178 -0.368 -8.653
245 H THR 34 H THR 34 10.967 -2.151 -5.697
246 HA THR 34 HA THR 34 13.295 -3.476 -4.899
247 HB THR 34 HB THR 34 13.801 -4.203 -7.130
248 HG1 THR 34 HG1 THR 34 15.380 -2.776 -5.845
249 1HG2 THR 34 HG21 THR 34 13.158 -1.349 -7.986
250 2HG2 THR 34 HG22 THR 34 13.913 -2.563 -9.040
251 3HG2 THR 34 HG23 THR 34 12.269 -2.820 -8.425
252 H LEU 35 H LEU 35 11.670 -0.605 -6.152
253 HA LEU 35 HA LEU 35 11.959 1.637 -5.766
254 1HB LEU 35 HB2 LEU 35 13.320 0.623 -3.228
255 2HB LEU 35 HB1 LEU 35 12.779 2.290 -3.510
256 HG LEU 35 HG LEU 35 10.936 -0.145 -3.566
257 1HD1 LEU 35 HD13 LEU 35 11.892 0.258 -1.311
258 2HD1 LEU 35 HD12 LEU 35 11.380 1.960 -1.402
259 3HD1 LEU 35 HD11 LEU 35 10.163 0.664 -1.359
260 1HD2 LEU 35 HD22 LEU 35 10.504 2.868 -3.714
261 2HD2 LEU 35 HD23 LEU 35 9.990 1.630 -4.883
262 3HD2 LEU 35 HD21 LEU 35 9.202 1.732 -3.296
263 H LYS 36 H LYS 36 13.795 0.481 -7.517
264 HA LYS 36 HA LYS 36 16.491 1.318 -6.796
265 1HB LYS 36 H LYS 36 15.598 -0.632 -8.379
266 2HB LYS 36 H LYS 36 15.661 0.645 -9.611
267 1HG LYS 36 H LYS 36 18.041 1.122 -8.855
268 2HG LYS 36 H LYS 36 17.943 -0.332 -7.838
269 1HD LYS 36 H LYS 36 17.668 -0.188 -10.877
270 2HD LYS 36 H LYS 36 19.008 -0.913 -9.963
271 1HE LYS 36 H LYS 36 16.124 -1.891 -10.128
272 2HE LYS 36 H LYS 36 17.582 -2.713 -10.710
273 1HZ LYS 36 H LYS 36 18.300 -2.755 -8.358
274 2HZ LYS 36 H LYS 36 16.789 -2.247 -7.925
275 3HZ LYS 36 H LYS 36 16.986 -3.690 -8.699
276 H PHE 37 H PHE 37 16.737 3.479 -6.571
277 HA PHE 37 HA PHE 37 17.062 5.647 -7.224
278 1HB PHE 37 HB2 PHE 37 15.861 5.066 -9.942
279 2HB PHE 37 HB1 PHE 37 17.012 6.327 -9.486
280 HD1 PHE 37 HD2 PHE 37 19.194 5.088 -8.157
281 HD2 PHE 37 HD1 PHE 37 16.815 3.503 -11.384
282 HE1 PHE 37 HE2 PHE 37 21.081 3.621 -8.832
283 HE2 PHE 37 HE1 PHE 37 18.707 2.041 -12.056
284 HZ PHE 37 HZ PHE 37 20.839 2.098 -10.781
285 H GLY 38 H GLY 38 13.975 4.322 -8.570
286 1HA GLY 38 HA2 GLY 38 12.377 5.918 -6.795
287 2HA GLY 38 HA1 GLY 38 12.409 6.618 -8.433
No H/Q in entry = 287
Start of MODEL 15
1 1H MET 1 H3 MET 1 -12.824 -9.323 16.007
2 2H MET 1 H2 MET 1 -11.788 -10.603 15.869
3 3H MET 1 H1 MET 1 -13.126 -10.734 16.822
4 HA MET 1 HA MET 1 -12.326 -9.358 18.449
5 1HB MET 1 HB1 MET 1 -11.231 -11.589 18.407
6 2HB MET 1 HB2 MET 1 -9.935 -10.925 17.385
7 1HG MET 1 HG1 MET 1 -9.329 -9.328 19.145
8 2HG MET 1 HG2 MET 1 -10.680 -9.882 20.148
9 1HE MET 1 HE3 MET 1 -9.050 -10.132 22.182
10 2HE MET 1 HE1 MET 1 -7.534 -11.064 22.140
11 3HE MET 1 HE2 MET 1 -7.695 -9.583 21.165
12 H SER 2 H SER 2 -9.750 -9.384 15.906
13 HA SER 2 HA SER 2 -8.923 -6.688 16.631
14 1HB SER 2 HB2 SER 2 -7.194 -8.139 15.866
15 2HB SER 2 HB1 SER 2 -8.145 -8.675 14.462
16 HG SER 2 HG SER 2 -7.471 -5.947 14.796
17 H ASP 3 H ASP 3 -9.710 -7.905 13.349
18 HA ASP 3 HA ASP 3 -10.639 -6.741 11.579
19 1HB ASP 3 H ASP 3 -13.152 -6.397 12.034
20 2HB ASP 3 H ASP 3 -12.495 -8.032 12.221
21 H ASP 4 H ASP 4 -8.981 -4.962 12.677
22 HA ASP 4 HA ASP 4 -10.483 -2.416 12.433
23 1HB ASP 4 H ASP 4 -9.425 -1.468 14.371
24 2HB ASP 4 H ASP 4 -10.135 -3.010 14.882
25 H LYS 5 H LYS 5 -8.428 -0.657 12.728
26 HA LYS 5 HA LYS 5 -6.580 0.250 11.759
27 1HB LYS 5 H LYS 5 -5.475 -1.906 12.534
28 2HB LYS 5 H LYS 5 -5.729 -2.525 10.889
29 1HG LYS 5 H LYS 5 -4.535 -0.411 10.051
30 2HG LYS 5 H LYS 5 -4.087 -0.111 11.742
31 1HD LYS 5 H LYS 5 -2.230 -1.284 10.810
32 2HD LYS 5 H LYS 5 -3.117 -2.494 11.764
33 1HE LYS 5 H LYS 5 -2.458 -3.422 9.577
34 2HE LYS 5 H LYS 5 -4.222 -3.315 9.691
35 1HZ LYS 5 H LYS 5 -2.525 -1.317 8.367
36 2HZ LYS 5 H LYS 5 -3.308 -2.541 7.587
37 3HZ LYS 5 H LYS 5 -4.178 -1.371 8.362
38 HA PRO 6 HA PRO 6 -8.439 0.542 7.671
39 1HB PRO 6 HB1 PRO 6 -6.858 2.837 7.017
40 2HB PRO 6 HB2 PRO 6 -8.551 2.814 7.581
41 1HG PRO 6 HG1 PRO 6 -6.150 3.619 9.038
42 2HG PRO 6 HG2 PRO 6 -7.860 3.757 9.537
43 1HD PRO 6 HD2 PRO 6 -5.881 1.880 10.477
44 2HD PRO 6 HD1 PRO 6 -7.607 1.985 10.941
45 H PHE 7 H PHE 7 -7.228 1.170 5.378
46 HA PHE 7 HA PHE 7 -5.241 -0.925 5.057
47 1HB PHE 7 HB2 PHE 7 -6.312 1.154 3.113
48 2HB PHE 7 HB1 PHE 7 -5.323 -0.248 2.684
49 HD1 PHE 7 HD1 PHE 7 -6.236 -2.572 3.027
50 HD2 PHE 7 HD2 PHE 7 -8.683 0.949 3.436
51 HE1 PHE 7 HE1 PHE 7 -8.279 -3.966 2.815
52 HE2 PHE 7 HE2 PHE 7 -10.726 -0.449 3.224
53 HZ PHE 7 HZ PHE 7 -10.525 -2.905 2.912
54 H LEU 8 H LEU 8 -3.746 0.065 6.648
55 HA LEU 8 HA LEU 8 -2.213 2.374 5.593
56 1HB LEU 8 HB2 LEU 8 -3.176 2.062 8.048
57 2HB LEU 8 HB1 LEU 8 -1.717 1.072 8.269
58 HG LEU 8 HG LEU 8 -1.686 3.924 7.172
59 1HD1 LEU 8 HD11 LEU 8 -2.551 3.871 9.495
60 2HD1 LEU 8 HD12 LEU 8 -1.134 2.919 9.999
61 3HD1 LEU 8 HD13 LEU 8 -0.925 4.591 9.426
62 1HD2 LEU 8 HD22 LEU 8 0.443 1.950 8.088
63 2HD2 LEU 8 HD23 LEU 8 0.320 2.795 6.528
64 3HD2 LEU 8 HD21 LEU 8 0.753 3.700 7.992
65 H CYS 9 H CYS 9 -0.497 1.879 4.345
66 HA CYS 9 HA CYS 9 0.612 -0.790 4.235
67 1HB CYS 9 HB2 CYS 9 0.586 0.634 2.257
68 2HB CYS 9 HB1 CYS 9 1.551 1.879 3.090
69 H THR 10 H THR 10 1.283 -1.229 6.414
70 HA THR 10 HA THR 10 2.978 0.409 7.959
71 HB THR 10 HB THR 10 2.941 -2.639 7.880
72 HG1 THR 10 HG1 THR 10 1.228 -0.806 9.219
73 1HG2 THR 10 HG21 THR 10 3.471 -0.603 10.094
74 2HG2 THR 10 HG23 THR 10 3.406 -2.367 10.313
75 3HG2 THR 10 HG22 THR 10 4.687 -1.643 9.314
76 H ALA 11 H ALA 11 4.985 1.122 7.545
77 HA ALA 11 HA ALA 11 7.029 -0.688 6.519
78 1HB ALA 11 HB3 ALA 11 5.611 1.178 4.755
79 2HB ALA 11 HB2 ALA 11 7.350 1.541 4.832
80 3HB ALA 11 HB1 ALA 11 6.802 -0.081 4.351
81 HA PRO 12 HA PRO 12 9.535 1.874 9.026
82 1HB PRO 12 HB2 PRO 12 11.853 2.232 7.476
83 2HB PRO 12 HB1 PRO 12 11.485 0.810 8.490
84 1HG PRO 12 HG1 PRO 12 11.321 1.115 5.527
85 2HG PRO 12 HG2 PRO 12 11.557 -0.363 6.505
86 1HD PRO 12 HD1 PRO 12 9.164 0.420 5.257
87 2HD PRO 12 HD2 PRO 12 9.300 -0.778 6.575
88 H GLY 13 H GLY 13 10.669 3.127 5.841
89 1HA GLY 13 HA1 GLY 13 10.154 5.878 6.779
90 2HA GLY 13 HA2 GLY 13 11.096 5.387 5.356
91 H CYS 14 H CYS 14 7.835 4.155 6.124
92 HA CYS 14 HA CYS 14 6.468 6.024 4.377
93 1HB CYS 14 HB2 CYS 14 7.625 4.643 2.677
94 2HB CYS 14 HB1 CYS 14 6.932 3.176 3.404
95 H GLY 15 H GLY 15 4.249 5.951 4.749
96 1HA GLY 15 HA2 GLY 15 2.998 3.585 5.901
97 2HA GLY 15 HA1 GLY 15 3.202 4.917 7.057
98 H GLN 16 H GLN 16 2.128 4.401 3.632
99 HA GLN 16 HA GLN 16 0.326 6.695 3.853
100 1HB GLN 16 HB2 GLN 16 0.546 4.698 1.580
101 2HB GLN 16 HB1 GLN 16 -0.103 6.351 1.520
102 1HG GLN 16 HG1 GLN 16 2.763 5.431 1.766
103 2HG GLN 16 HG2 GLN 16 2.058 6.563 0.603
104 HE2 GLN 16 HE22 GLN 16 0.976 8.574 1.770
105 HE2 GLN 16 HE21 GLN 16 1.971 9.322 3.001
106 H ARG 17 H ARG 17 -1.935 6.587 3.509
107 HA ARG 17 HA ARG 17 -3.182 4.000 4.349
108 1HB ARG 17 H ARG 17 -3.191 5.689 6.147
109 2HB ARG 17 H ARG 17 -3.971 6.851 5.057
110 1HG ARG 17 H ARG 17 -5.334 4.204 5.318
111 2HG ARG 17 H ARG 17 -5.336 5.218 6.777
112 1HD ARG 17 H ARG 17 -6.309 7.091 5.531
113 2HD ARG 17 H ARG 17 -6.227 6.164 4.021
114 HE ARG 17 H ARG 17 -7.781 4.974 6.233
115 1HH1 ARG 17 H ARG 17 -7.850 6.981 3.302
116 2HH1 ARG 17 H ARG 17 -9.436 6.432 2.804
117 1HH2 ARG 17 H ARG 17 -9.972 4.480 5.706
118 2HH2 ARG 17 H ARG 17 -10.713 5.172 4.282
119 H PHE 18 H PHE 18 -5.120 3.448 3.356
120 HA PHE 18 HA PHE 18 -6.094 5.251 1.203
121 1HB PHE 18 HB2 PHE 18 -5.526 2.296 0.811
122 2HB PHE 18 HB1 PHE 18 -6.087 3.455 -0.403
123 HD1 PHE 18 HD2 PHE 18 -3.204 2.421 1.687
124 HD2 PHE 18 HD1 PHE 18 -4.537 4.974 -1.507
125 HE1 PHE 18 HE2 PHE 18 -0.846 2.929 1.117
126 HE2 PHE 18 HE1 PHE 18 -2.174 5.494 -2.073
127 HZ PHE 18 HZ PHE 18 -0.328 4.472 -0.755
128 H THR 19 H THR 19 -8.205 4.394 0.297
129 HA THR 19 HA THR 19 -9.912 3.669 2.580
130 HB THR 19 HB THR 19 -10.595 4.504 -0.272
131 HG1 THR 19 HG1 THR 19 -10.906 6.523 0.702
132 1HG2 THR 19 HG22 THR 19 -12.240 4.217 2.282
133 2HG2 THR 19 HG23 THR 19 -12.799 5.107 0.845
134 3HG2 THR 19 HG21 THR 19 -12.479 3.361 0.740
135 H ASN 20 H ASN 20 -8.502 2.178 -0.276
136 HA ASN 20 HA ASN 20 -10.109 -0.269 0.286
137 1HB ASN 20 HB2 ASN 20 -9.326 0.575 -2.518
138 2HB ASN 20 HB1 ASN 20 -10.487 -0.672 -2.021
139 1HD2 ASN 20 HD21 ASN 20 -11.726 3.088 -2.751
140 2HD2 ASN 20 HD22 ASN 20 -10.136 2.469 -3.159
141 H GLU 21 H GLU 21 -9.088 -2.226 -0.628
142 HA GLU 21 HA GLU 21 -6.274 -2.313 0.006
143 1HB GLU 21 H GLU 21 -7.819 -4.181 0.490
144 2HB GLU 21 H GLU 21 -8.184 -4.349 -1.239
145 1HG GLU 21 H GLU 21 -6.536 -6.039 -0.465
146 2HG GLU 21 H GLU 21 -5.853 -4.974 -1.705
147 H ASP 22 H ASP 22 -8.184 -1.746 -2.883
148 HA ASP 22 HA ASP 22 -6.495 -2.710 -4.912
149 1HB ASP 22 H ASP 22 -8.714 -1.888 -5.387
150 2HB ASP 22 H ASP 22 -8.316 -0.280 -4.744
151 H HIS 23 H HIS 23 -6.558 0.532 -3.366
152 HA HIS 23 HA HIS 23 -4.335 1.523 -4.874
153 1HB HIS 23 HB2 HIS 23 -5.227 2.541 -2.175
154 2HB HIS 23 HB1 HIS 23 -4.536 3.456 -3.521
155 HD1 HIS 23 HD1 HIS 23 -6.618 2.003 -5.667
156 HD2 HIS 23 HD2 HIS 23 -7.570 4.145 -2.188
157 HE1 HIS 23 HE1 HIS 23 -9.001 2.857 -5.907
158 H LEU 24 H LEU 24 -4.699 -0.155 -1.759
159 HA LEU 24 HA LEU 24 -2.013 0.308 -0.846
160 1HB LEU 24 HB2 LEU 24 -4.106 -0.480 0.471
161 2HB LEU 24 HB1 LEU 24 -3.727 -2.095 -0.161
162 HG LEU 24 HG LEU 24 -1.272 -1.532 0.750
163 1HD1 LEU 24 HD11 LEU 24 -3.103 0.313 2.310
164 2HD1 LEU 24 HD12 LEU 24 -1.507 -0.200 2.886
165 3HD1 LEU 24 HD13 LEU 24 -1.647 0.750 1.394
166 1HD2 LEU 24 HD23 LEU 24 -3.646 -2.231 2.540
167 2HD2 LEU 24 HD22 LEU 24 -2.674 -3.375 1.583
168 3HD2 LEU 24 HD21 LEU 24 -1.937 -2.514 2.953
169 H ALA 25 H ALA 25 -3.558 -2.066 -2.996
170 HA ALA 25 HA ALA 25 -1.470 -4.002 -3.004
171 1HB ALA 25 HB1 ALA 25 -3.772 -4.406 -3.828
172 2HB ALA 25 HB3 ALA 25 -3.481 -3.286 -5.179
173 3HB ALA 25 HB2 ALA 25 -2.554 -4.799 -5.064
174 H VAL 26 H VAL 26 -2.246 -1.446 -5.470
175 HA VAL 26 HA VAL 26 0.114 -1.868 -6.991
176 HB VAL 26 HB VAL 26 -0.358 0.376 -7.954
177 1HG1 VAL 26 HG12 VAL 26 -1.608 -1.665 -8.682
178 2HG1 VAL 26 HG13 VAL 26 -2.874 -1.287 -7.490
179 3HG1 VAL 26 HG11 VAL 26 -2.570 -0.178 -8.848
180 1HG2 VAL 26 HG22 VAL 26 -2.476 0.506 -5.763
181 2HG2 VAL 26 HG23 VAL 26 -1.066 1.577 -5.930
182 3HG2 VAL 26 HG21 VAL 26 -2.366 1.621 -7.140
183 H HIS 27 H HIS 27 -0.545 0.210 -4.166
184 HA HIS 27 HA HIS 27 1.904 1.668 -4.200
185 1HB HIS 27 HB2 HIS 27 -0.007 2.386 -2.904
186 2HB HIS 27 HB1 HIS 27 -0.030 0.857 -2.005
187 HD1 HIS 27 HD1 HIS 27 2.057 4.042 -2.372
188 HD2 HIS 27 HD2 HIS 27 1.594 0.777 0.197
189 HE1 HIS 27 HE1 HIS 27 3.424 4.514 -0.281
190 H LYS 28 H LYS 28 0.902 -1.351 -2.529
191 HA LYS 28 HA LYS 28 3.369 -1.797 -1.189
192 1HB LYS 28 H LYS 28 1.198 -2.830 -0.570
193 2HB LYS 28 H LYS 28 1.217 -3.762 -2.084
194 1HG LYS 28 H LYS 28 2.012 -5.155 -0.240
195 2HG LYS 28 H LYS 28 3.351 -4.837 -1.362
196 1HD LYS 28 H LYS 28 4.351 -3.247 0.109
197 2HD LYS 28 H LYS 28 2.863 -3.088 1.073
198 1HE LYS 28 H LYS 28 4.522 -4.448 2.281
199 2HE LYS 28 H LYS 28 3.115 -5.439 1.838
200 1HZ LYS 28 H LYS 28 5.666 -5.345 0.381
201 2HZ LYS 28 H LYS 28 5.176 -6.555 1.385
202 3HZ LYS 28 H LYS 28 4.363 -6.275 -0.025
203 H HIS 29 H HIS 29 2.112 -2.767 -4.393
204 HA HIS 29 HA HIS 29 4.095 -4.620 -5.109
205 1HB HIS 29 HB2 HIS 29 1.938 -3.986 -6.324
206 2HB HIS 29 HB1 HIS 29 2.816 -2.592 -6.975
207 HD1 HIS 29 HD1 HIS 29 5.508 -4.733 -7.078
208 HD2 HIS 29 HD2 HIS 29 1.854 -4.832 -9.126
209 HE1 HIS 29 HE1 HIS 29 5.832 -6.137 -9.175
210 H LYS 30 H LYS 30 4.108 -1.026 -5.239
211 HA LYS 30 HA LYS 30 6.544 -0.771 -6.692
212 1HB LYS 30 H LYS 30 4.774 1.013 -6.221
213 2HB LYS 30 H LYS 30 5.473 1.149 -4.592
214 1HG LYS 30 H LYS 30 6.846 2.703 -5.533
215 2HG LYS 30 H LYS 30 7.739 1.305 -6.168
216 1HD LYS 30 H LYS 30 5.424 2.645 -7.643
217 2HD LYS 30 H LYS 30 7.133 3.066 -7.898
218 1HE LYS 30 H LYS 30 7.566 0.618 -8.421
219 2HE LYS 30 H LYS 30 5.805 0.370 -8.397
220 1HZ LYS 30 H LYS 30 7.154 2.331 -10.119
221 2HZ LYS 30 H LYS 30 6.770 0.799 -10.601
222 3HZ LYS 30 H LYS 30 5.573 1.856 -10.180
223 H HIS 31 H HIS 31 5.858 -1.099 -3.173
224 HA HIS 31 HA HIS 31 8.560 -0.622 -2.324
225 1HB HIS 31 HB2 HIS 31 6.221 -2.106 -1.079
226 2HB HIS 31 HB1 HIS 31 7.776 -1.894 -0.261
227 HD1 HIS 31 HD1 HIS 31 8.554 0.914 -0.474
228 HD2 HIS 31 HD2 HIS 31 4.514 -0.159 -0.209
229 HE1 HIS 31 HE1 HIS 31 7.271 2.946 0.356
230 H GLU 32 H GLU 32 6.720 -3.581 -3.174
231 HA GLU 32 HA GLU 32 8.845 -5.412 -2.540
232 1HB GLU 32 H GLU 32 6.406 -5.616 -4.352
233 2HB GLU 32 H GLU 32 7.467 -6.988 -3.947
234 1HG GLU 32 H GLU 32 6.976 -6.729 -1.568
235 2HG GLU 32 H GLU 32 6.035 -5.258 -1.883
236 H MET 33 H MET 33 7.879 -3.662 -5.505
237 HA MET 33 HA MET 33 9.480 -4.981 -7.393
238 1HB MET 33 HB1 MET 33 7.696 -3.269 -7.821
239 2HB MET 33 HB2 MET 33 8.804 -2.009 -7.239
240 1HG MET 33 HG1 MET 33 10.326 -2.389 -9.042
241 2HG MET 33 HG2 MET 33 9.520 -3.900 -9.499
242 1HE MET 33 HE3 MET 33 9.672 -3.063 -11.969
243 2HE MET 33 HE2 MET 33 8.880 -1.600 -12.600
244 3HE MET 33 HE1 MET 33 10.304 -1.454 -11.548
245 H THR 34 H THR 34 11.645 -5.156 -7.654
246 HA THR 34 HA THR 34 13.458 -3.853 -5.813
247 HB THR 34 HB THR 34 15.175 -5.018 -7.326
248 HG1 THR 34 HG1 THR 34 14.228 -6.521 -8.770
249 1HG2 THR 34 HG21 THR 34 14.276 -6.031 -5.249
250 2HG2 THR 34 HG23 THR 34 12.889 -6.673 -6.161
251 3HG2 THR 34 HG22 THR 34 14.532 -7.265 -6.505
252 H LEU 35 H LEU 35 12.473 -3.366 -9.191
253 HA LEU 35 HA LEU 35 14.505 -1.349 -9.711
254 1HB LEU 35 HB2 LEU 35 12.230 -2.630 -11.230
255 2HB LEU 35 HB1 LEU 35 12.865 -1.066 -11.789
256 HG LEU 35 HG LEU 35 15.174 -2.044 -11.819
257 1HD1 LEU 35 HD12 LEU 35 13.634 -4.571 -11.085
258 2HD1 LEU 35 HD11 LEU 35 15.264 -4.598 -11.799
259 3HD1 LEU 35 HD13 LEU 35 15.003 -3.836 -10.216
260 1HD2 LEU 35 HD23 LEU 35 13.764 -1.978 -13.858
261 2HD2 LEU 35 HD21 LEU 35 14.815 -3.414 -13.845
262 3HD2 LEU 35 HD22 LEU 35 13.087 -3.571 -13.441
263 H LYS 36 H LYS 36 13.865 -0.217 -7.709
264 HA LYS 36 HA LYS 36 11.431 1.016 -7.195
265 1HB LYS 36 H LYS 36 14.249 1.288 -6.459
266 2HB LYS 36 H LYS 36 13.414 2.861 -6.450
267 1HG LYS 36 H LYS 36 13.065 1.995 -4.266
268 2HG LYS 36 H LYS 36 11.544 1.649 -5.123
269 1HD LYS 36 H LYS 36 12.517 -0.640 -5.684
270 2HD LYS 36 H LYS 36 13.855 -0.268 -4.575
271 1HE LYS 36 H LYS 36 12.263 0.022 -2.720
272 2HE LYS 36 H LYS 36 10.898 -0.259 -3.824
273 1HZ LYS 36 H LYS 36 11.846 -2.448 -4.257
274 2HZ LYS 36 H LYS 36 12.990 -2.185 -3.093
275 3HZ LYS 36 H LYS 36 11.390 -2.244 -2.681
276 H PHE 37 H PHE 37 14.086 2.123 -9.351
277 HA PHE 37 HA PHE 37 12.675 4.579 -10.045
278 1HB PHE 37 HB1 PHE 37 15.193 4.266 -9.969
279 2HB PHE 37 HB2 PHE 37 15.047 3.267 -11.425
280 HD1 PHE 37 HD2 PHE 37 14.169 6.674 -10.090
281 HD2 PHE 37 HD1 PHE 37 15.150 4.292 -13.545
282 HE1 PHE 37 HE2 PHE 37 14.252 8.728 -11.486
283 HE2 PHE 37 HE1 PHE 37 15.233 6.347 -14.936
284 HZ PHE 37 HZ PHE 37 14.785 8.566 -13.908
285 H GLY 38 H GLY 38 10.690 3.093 -10.490
286 1HA GLY 38 HA1 GLY 38 10.162 3.114 -13.277
287 2HA GLY 38 HA2 GLY 38 10.559 1.448 -12.791
No H/Q in entry = 287
Start of MODEL 16
1 1H MET 1 H1 MET 1 -12.986 12.010 7.454
2 2H MET 1 H2 MET 1 -14.635 12.041 7.444
3 3H MET 1 H3 MET 1 -13.807 12.625 8.745
4 HA MET 1 HA MET 1 -12.978 10.477 9.290
5 1HB MET 1 HB2 MET 1 -15.992 10.622 8.866
6 2HB MET 1 HB1 MET 1 -15.175 9.369 9.831
7 1HG MET 1 HG2 MET 1 -14.168 11.171 11.242
8 2HG MET 1 HG1 MET 1 -15.097 12.372 10.329
9 1HE MET 1 HE3 MET 1 -16.037 13.359 12.558
10 2HE MET 1 HE2 MET 1 -16.835 12.392 13.821
11 3HE MET 1 HE1 MET 1 -15.105 12.157 13.482
12 H SER 2 H SER 2 -13.449 8.061 8.949
13 HA SER 2 HA SER 2 -14.262 7.225 6.296
14 1HB SER 2 HB1 SER 2 -12.062 6.383 5.571
15 2HB SER 2 HB2 SER 2 -11.997 8.143 5.808
16 HG SER 2 HG SER 2 -11.211 6.213 7.748
17 H ASP 3 H ASP 3 -12.722 4.769 6.331
18 HA ASP 3 HA ASP 3 -14.336 3.145 7.961
19 1HB ASP 3 H ASP 3 -11.510 2.473 7.064
20 2HB ASP 3 H ASP 3 -12.877 1.363 7.300
21 H ASP 4 H ASP 4 -13.909 1.978 9.897
22 HA ASP 4 HA ASP 4 -12.581 3.452 11.958
23 1HB ASP 4 H ASP 4 -14.491 1.947 12.365
24 2HB ASP 4 H ASP 4 -13.519 0.552 11.849
25 H LYS 5 H LYS 5 -11.681 0.657 9.926
26 HA LYS 5 HA LYS 5 -8.865 0.939 10.880
27 1HB LYS 5 H LYS 5 -10.378 -1.630 10.241
28 2HB LYS 5 H LYS 5 -8.645 -1.516 10.630
29 1HG LYS 5 H LYS 5 -9.254 -0.478 12.834
30 2HG LYS 5 H LYS 5 -10.969 -0.733 12.440
31 1HD LYS 5 H LYS 5 -10.607 -3.163 12.295
32 2HD LYS 5 H LYS 5 -8.867 -2.938 12.598
33 1HE LYS 5 H LYS 5 -9.958 -3.591 14.683
34 2HE LYS 5 H LYS 5 -9.419 -1.903 14.811
35 1HZ LYS 5 H LYS 5 -12.153 -2.758 14.152
36 2HZ LYS 5 H LYS 5 -11.651 -2.236 15.632
37 3HZ LYS 5 H LYS 5 -11.644 -1.198 14.347
38 HA PRO 6 HA PRO 6 -9.268 1.605 6.337
39 1HB PRO 6 HB2 PRO 6 -7.055 3.433 6.444
40 2HB PRO 6 HB1 PRO 6 -8.778 3.813 6.185
41 1HG PRO 6 HG2 PRO 6 -7.169 4.332 8.534
42 2HG PRO 6 HG1 PRO 6 -8.899 4.699 8.282
43 1HD PRO 6 HD2 PRO 6 -7.699 2.584 9.889
44 2HD PRO 6 HD1 PRO 6 -9.419 3.042 9.743
45 H PHE 7 H PHE 7 -7.378 1.619 4.630
46 HA PHE 7 HA PHE 7 -5.706 -0.719 5.273
47 1HB PHE 7 HB2 PHE 7 -6.102 0.815 2.673
48 2HB PHE 7 HB1 PHE 7 -5.306 -0.754 2.860
49 HD1 PHE 7 HD2 PHE 7 -8.556 1.025 2.917
50 HD2 PHE 7 HD1 PHE 7 -6.590 -2.798 3.159
51 HE1 PHE 7 HE2 PHE 7 -10.739 -0.116 2.607
52 HE2 PHE 7 HE1 PHE 7 -8.776 -3.939 2.850
53 HZ PHE 7 HZ PHE 7 -10.850 -2.598 2.572
54 H LEU 8 H LEU 8 -4.118 0.154 6.663
55 HA LEU 8 HA LEU 8 -2.456 2.365 5.585
56 1HB LEU 8 HB2 LEU 8 -3.429 2.408 7.937
57 2HB LEU 8 HB1 LEU 8 -2.336 1.064 8.331
58 HG LEU 8 HG LEU 8 -1.074 3.412 6.964
59 1HD1 LEU 8 HD12 LEU 8 -2.068 3.544 9.846
60 2HD1 LEU 8 HD11 LEU 8 -0.970 4.715 9.076
61 3HD1 LEU 8 HD13 LEU 8 -2.644 4.549 8.495
62 1HD2 LEU 8 HD23 LEU 8 -0.366 1.732 9.414
63 2HD2 LEU 8 HD21 LEU 8 0.239 1.473 7.763
64 3HD2 LEU 8 HD22 LEU 8 0.690 2.944 8.650
65 H CYS 9 H CYS 9 -0.692 1.825 4.431
66 HA CYS 9 HA CYS 9 0.365 -0.878 4.434
67 1HB CYS 9 HB2 CYS 9 0.446 0.474 2.405
68 2HB CYS 9 HB1 CYS 9 1.395 1.733 3.234
69 H THR 10 H THR 10 0.983 -1.266 6.642
70 HA THR 10 HA THR 10 2.712 0.449 8.106
71 HB THR 10 HB THR 10 1.368 -1.394 9.099
72 HG1 THR 10 HG1 THR 10 3.142 -0.635 10.238
73 1HG2 THR 10 HG22 THR 10 1.882 -3.052 7.216
74 2HG2 THR 10 HG21 THR 10 3.475 -3.284 7.974
75 3HG2 THR 10 HG23 THR 10 1.996 -3.701 8.867
76 H ALA 11 H ALA 11 4.862 0.833 7.985
77 HA ALA 11 HA ALA 11 6.739 -1.081 6.918
78 1HB ALA 11 HB1 ALA 11 5.469 0.825 5.093
79 2HB ALA 11 HB3 ALA 11 7.225 1.091 5.183
80 3HB ALA 11 HB2 ALA 11 6.590 -0.508 4.733
81 HA PRO 12 HA PRO 12 9.419 1.344 9.376
82 1HB PRO 12 HB1 PRO 12 11.758 1.460 7.815
83 2HB PRO 12 HB2 PRO 12 11.285 0.115 8.892
84 1HG PRO 12 HG1 PRO 12 11.144 0.299 5.919
85 2HG PRO 12 HG2 PRO 12 11.259 -1.149 6.963
86 1HD PRO 12 HD1 PRO 12 8.939 -0.233 5.669
87 2HD PRO 12 HD2 PRO 12 8.975 -1.374 7.044
88 H GLY 13 H GLY 13 10.403 2.325 6.035
89 1HA GLY 13 HA2 GLY 13 10.307 5.158 6.888
90 2HA GLY 13 HA1 GLY 13 11.093 4.505 5.436
91 H CYS 14 H CYS 14 7.790 3.522 6.308
92 HA CYS 14 HA CYS 14 6.534 5.571 4.657
93 1HB CYS 14 HB2 CYS 14 7.485 4.050 2.925
94 2HB CYS 14 HB1 CYS 14 6.580 2.700 3.652
95 H GLY 15 H GLY 15 4.335 5.710 5.041
96 1HA GLY 15 HA2 GLY 15 2.919 3.490 6.337
97 2HA GLY 15 HA1 GLY 15 3.150 4.944 7.333
98 H GLN 16 H GLN 16 2.441 4.441 3.810
99 HA GLN 16 HA GLN 16 0.545 6.640 3.865
100 1HB GLN 16 HB2 GLN 16 2.136 5.940 1.951
101 2HB GLN 16 HB1 GLN 16 0.947 4.662 1.604
102 1HG GLN 16 HG2 GLN 16 -0.816 6.326 1.290
103 2HG GLN 16 HG1 GLN 16 0.267 7.631 1.816
104 HE2 GLN 16 HE22 GLN 16 0.234 7.841 -1.865
105 HE2 GLN 16 HE21 GLN 16 -0.859 8.124 -0.528
106 H ARG 17 H ARG 17 -1.694 6.523 3.601
107 HA ARG 17 HA ARG 17 -2.899 3.843 4.118
108 1HB ARG 17 H ARG 17 -2.894 5.289 6.125
109 2HB ARG 17 H ARG 17 -3.741 6.554 5.214
110 1HG ARG 17 H ARG 17 -4.986 3.833 5.162
111 2HG ARG 17 H ARG 17 -5.012 4.670 6.728
112 1HD ARG 17 H ARG 17 -5.784 6.301 4.334
113 2HD ARG 17 H ARG 17 -6.912 5.024 4.828
114 HE ARG 17 H ARG 17 -5.917 6.903 6.901
115 1HH1 ARG 17 H ARG 17 -8.514 6.115 4.617
116 2HH1 ARG 17 H ARG 17 -9.788 6.707 5.659
117 1HH2 ARG 17 H ARG 17 -7.611 7.764 8.224
118 2HH2 ARG 17 H ARG 17 -9.274 7.693 7.675
119 H PHE 18 H PHE 18 -4.876 3.396 3.157
120 HA PHE 18 HA PHE 18 -5.903 5.386 1.200
121 1HB PHE 18 HB2 PHE 18 -5.483 2.468 0.498
122 2HB PHE 18 HB1 PHE 18 -5.866 3.819 -0.582
123 HD1 PHE 18 HD2 PHE 18 -3.201 2.354 1.578
124 HD2 PHE 18 HD1 PHE 18 -4.123 5.157 -1.555
125 HE1 PHE 18 HE2 PHE 18 -0.777 2.700 1.177
126 HE2 PHE 18 HE1 PHE 18 -1.694 5.497 -1.958
127 HZ PHE 18 HZ PHE 18 -0.027 4.271 -0.581
128 H THR 19 H THR 19 -8.088 4.777 0.416
129 HA THR 19 HA THR 19 -9.658 3.653 2.646
130 HB THR 19 HB THR 19 -10.851 4.768 0.109
131 HG1 THR 19 HG1 THR 19 -10.510 6.854 0.965
132 1HG2 THR 19 HG21 THR 19 -12.276 3.927 1.985
133 2HG2 THR 19 HG23 THR 19 -11.499 5.099 3.074
134 3HG2 THR 19 HG22 THR 19 -12.489 5.671 1.712
135 H ASN 20 H ASN 20 -8.063 2.303 0.081
136 HA ASN 20 HA ASN 20 -10.025 0.092 -0.113
137 1HB ASN 20 HB2 ASN 20 -8.787 1.532 -2.498
138 2HB ASN 20 HB1 ASN 20 -9.701 0.014 -2.586
139 1HD2 ASN 20 HD21 ASN 20 -12.906 1.505 -2.137
140 2HD2 ASN 20 HD22 ASN 20 -11.979 0.024 -2.042
141 H GLU 21 H GLU 21 -9.073 -1.906 -0.689
142 HA GLU 21 HA GLU 21 -6.302 -2.181 0.102
143 1HB GLU 21 H GLU 21 -6.906 -4.635 -0.853
144 2HB GLU 21 H GLU 21 -7.394 -4.076 0.755
145 1HG GLU 21 H GLU 21 -9.255 -5.174 -0.477
146 2HG GLU 21 H GLU 21 -9.627 -3.499 -0.046
147 H ASP 22 H ASP 22 -8.085 -1.849 -2.918
148 HA ASP 22 HA ASP 22 -6.223 -2.942 -4.741
149 1HB ASP 22 H ASP 22 -8.484 -2.248 -5.364
150 2HB ASP 22 H ASP 22 -8.101 -0.557 -4.974
151 H HIS 23 H HIS 23 -6.507 0.387 -3.398
152 HA HIS 23 HA HIS 23 -4.255 1.419 -4.822
153 1HB HIS 23 HB2 HIS 23 -5.488 2.328 -2.197
154 2HB HIS 23 HB1 HIS 23 -4.430 3.291 -3.243
155 HD1 HIS 23 HD1 HIS 23 -7.534 3.906 -2.411
156 HD2 HIS 23 HD2 HIS 23 -6.135 2.459 -6.083
157 HE1 HIS 23 HE1 HIS 23 -9.270 4.480 -4.180
158 H LEU 24 H LEU 24 -4.671 -0.295 -1.745
159 HA LEU 24 HA LEU 24 -2.018 0.212 -0.748
160 1HB LEU 24 HB2 LEU 24 -4.132 -0.624 0.503
161 2HB LEU 24 HB1 LEU 24 -3.717 -2.226 -0.143
162 HG LEU 24 HG LEU 24 -1.293 -1.641 0.837
163 1HD1 LEU 24 HD13 LEU 24 -3.205 0.158 2.362
164 2HD1 LEU 24 HD11 LEU 24 -1.642 -0.368 3.013
165 3HD1 LEU 24 HD12 LEU 24 -1.702 0.614 1.535
166 1HD2 LEU 24 HD21 LEU 24 -3.673 -2.390 2.599
167 2HD2 LEU 24 HD22 LEU 24 -2.754 -3.514 1.569
168 3HD2 LEU 24 HD23 LEU 24 -1.965 -2.730 2.957
169 H ALA 25 H ALA 25 -3.501 -2.200 -2.910
170 HA ALA 25 HA ALA 25 -1.379 -4.093 -2.916
171 1HB ALA 25 HB3 ALA 25 -3.692 -4.484 -3.771
172 2HB ALA 25 HB2 ALA 25 -3.349 -3.399 -5.137
173 3HB ALA 25 HB1 ALA 25 -2.442 -4.918 -4.960
174 H VAL 26 H VAL 26 -2.153 -1.500 -5.350
175 HA VAL 26 HA VAL 26 0.218 -1.907 -6.864
176 HB VAL 26 HB VAL 26 -0.247 0.341 -7.813
177 1HG1 VAL 26 HG12 VAL 26 -1.491 -1.694 -8.566
178 2HG1 VAL 26 HG11 VAL 26 -2.768 -1.323 -7.384
179 3HG1 VAL 26 HG13 VAL 26 -2.450 -0.205 -8.730
180 1HG2 VAL 26 HG22 VAL 26 -2.373 0.456 -5.632
181 2HG2 VAL 26 HG23 VAL 26 -0.971 1.536 -5.797
182 3HG2 VAL 26 HG21 VAL 26 -2.271 1.573 -7.007
183 H HIS 27 H HIS 27 -0.470 0.163 -4.031
184 HA HIS 27 HA HIS 27 1.995 1.596 -4.038
185 1HB HIS 27 HB2 HIS 27 0.100 2.348 -2.756
186 2HB HIS 27 HB1 HIS 27 0.024 0.818 -1.866
187 HD1 HIS 27 HD1 HIS 27 2.326 3.871 -2.248
188 HD2 HIS 27 HD2 HIS 27 1.481 0.777 0.432
189 HE1 HIS 27 HE1 HIS 27 3.626 4.331 -0.109
190 H LYS 28 H LYS 28 0.971 -1.489 -2.483
191 HA LYS 28 HA LYS 28 3.453 -1.972 -1.143
192 1HB LYS 28 H LYS 28 1.188 -3.040 -0.675
193 2HB LYS 28 H LYS 28 1.445 -4.036 -2.125
194 1HG LYS 28 H LYS 28 2.526 -5.478 -0.749
195 2HG LYS 28 H LYS 28 3.854 -4.295 -0.752
196 1HD LYS 28 H LYS 28 2.547 -3.131 1.178
197 2HD LYS 28 H LYS 28 1.651 -4.663 1.304
198 1HE LYS 28 H LYS 28 4.652 -4.228 1.610
199 2HE LYS 28 H LYS 28 3.507 -4.762 2.858
200 1HZ LYS 28 H LYS 28 3.142 -6.745 1.514
201 2HZ LYS 28 H LYS 28 4.309 -6.253 0.451
202 3HZ LYS 28 H LYS 28 4.706 -6.603 2.015
203 H HIS 29 H HIS 29 2.176 -2.821 -4.387
204 HA HIS 29 HA HIS 29 4.285 -4.559 -5.155
205 1HB HIS 29 HB2 HIS 29 2.047 -4.176 -6.305
206 2HB HIS 29 HB1 HIS 29 2.723 -2.673 -6.958
207 HD1 HIS 29 HD1 HIS 29 5.616 -4.646 -7.079
208 HD2 HIS 29 HD2 HIS 29 2.018 -4.806 -9.222
209 HE1 HIS 29 HE1 HIS 29 6.056 -5.915 -9.239
210 H LYS 30 H LYS 30 3.927 -0.991 -5.227
211 HA LYS 30 HA LYS 30 6.275 -0.457 -6.742
212 1HB LYS 30 H LYS 30 4.315 1.116 -6.053
213 2HB LYS 30 H LYS 30 5.226 1.342 -4.542
214 1HG LYS 30 H LYS 30 6.015 3.094 -5.917
215 2HG LYS 30 H LYS 30 7.261 1.840 -6.101
216 1HD LYS 30 H LYS 30 5.792 1.047 -8.148
217 2HD LYS 30 H LYS 30 5.073 2.668 -8.036
218 1HE LYS 30 H LYS 30 6.876 2.855 -9.599
219 2HE LYS 30 H LYS 30 7.456 3.595 -8.091
220 1HZ LYS 30 H LYS 30 8.565 1.515 -7.601
221 2HZ LYS 30 H LYS 30 8.060 0.874 -9.034
222 3HZ LYS 30 H LYS 30 9.095 2.160 -9.025
223 H HIS 31 H HIS 31 5.736 -1.117 -3.265
224 HA HIS 31 HA HIS 31 8.425 -0.443 -2.458
225 1HB HIS 31 HB2 HIS 31 6.210 -2.124 -1.248
226 2HB HIS 31 HB1 HIS 31 7.796 -1.969 -0.482
227 HD1 HIS 31 HD1 HIS 31 8.504 0.896 -0.553
228 HD2 HIS 31 HD2 HIS 31 4.531 -0.332 0.000
229 HE1 HIS 31 HE1 HIS 31 7.255 2.805 0.564
230 H GLU 32 H GLU 32 6.768 -3.633 -2.907
231 HA GLU 32 HA GLU 32 9.376 -4.972 -3.151
232 1HB GLU 32 H GLU 32 6.493 -5.956 -3.315
233 2HB GLU 32 H GLU 32 7.922 -7.006 -3.452
234 1HG GLU 32 H GLU 32 7.797 -7.196 -1.199
235 2HG GLU 32 H GLU 32 8.487 -5.562 -1.154
236 H MET 33 H MET 33 9.311 -3.078 -5.080
237 HA MET 33 HA MET 33 8.156 -4.012 -7.562
238 1HB MET 33 HB1 MET 33 9.508 -2.194 -8.573
239 2HB MET 33 HB2 MET 33 8.552 -1.632 -7.191
240 1HG MET 33 HG2 MET 33 10.583 -1.870 -5.744
241 2HG MET 33 HG1 MET 33 11.515 -2.338 -7.173
242 1HE MET 33 HE1 MET 33 12.277 -0.026 -5.113
243 2HE MET 33 HE2 MET 33 13.282 -0.490 -6.508
244 3HE MET 33 HE3 MET 33 12.872 1.220 -6.237
245 H THR 34 H THR 34 11.261 -4.362 -5.902
246 HA THR 34 HA THR 34 12.935 -5.873 -6.172
247 HB THR 34 HB THR 34 11.573 -7.012 -8.636
248 HG1 THR 34 HG1 THR 34 10.012 -6.974 -7.033
249 1HG2 THR 34 HG23 THR 34 13.305 -8.187 -6.420
250 2HG2 THR 34 HG22 THR 34 12.649 -9.080 -7.813
251 3HG2 THR 34 HG21 THR 34 13.851 -7.793 -8.068
252 H LEU 35 H LEU 35 11.726 -4.525 -9.289
253 HA LEU 35 HA LEU 35 14.356 -3.352 -9.781
254 1HB LEU 35 HB2 LEU 35 13.804 -5.940 -10.736
255 2HB LEU 35 HB1 LEU 35 13.542 -4.882 -12.141
256 HG LEU 35 HG LEU 35 16.034 -4.809 -10.374
257 1HD1 LEU 35 HD12 LEU 35 15.837 -6.963 -11.583
258 2HD1 LEU 35 HD13 LEU 35 15.597 -6.084 -13.112
259 3HD1 LEU 35 HD11 LEU 35 17.152 -5.969 -12.252
260 1HD2 LEU 35 HD21 LEU 35 15.294 -3.514 -13.035
261 2HD2 LEU 35 HD22 LEU 35 15.675 -2.689 -11.504
262 3HD2 LEU 35 HD23 LEU 35 16.949 -3.560 -12.384
263 H LYS 36 H LYS 36 10.912 -3.630 -10.335
264 HA LYS 36 HA LYS 36 10.795 -1.899 -12.644
265 1HB LYS 36 H LYS 36 9.058 -3.611 -11.972
266 2HB LYS 36 H LYS 36 8.615 -2.554 -10.617
267 1HG LYS 36 H LYS 36 7.081 -2.095 -12.425
268 2HG LYS 36 H LYS 36 8.183 -0.705 -12.312
269 1HD LYS 36 H LYS 36 9.380 -1.340 -14.259
270 2HD LYS 36 H LYS 36 8.800 -3.021 -14.175
271 1HE LYS 36 H LYS 36 7.631 -1.875 -15.978
272 2HE LYS 36 H LYS 36 6.481 -2.207 -14.665
273 1HZ LYS 36 H LYS 36 6.823 0.070 -13.924
274 2HZ LYS 36 H LYS 36 7.818 0.360 -15.209
275 3HZ LYS 36 H LYS 36 6.225 0.004 -15.461
276 H PHE 37 H PHE 37 12.324 -0.253 -11.751
277 HA PHE 37 HA PHE 37 11.709 1.381 -9.519
278 1HB PHE 37 HB1 PHE 37 13.893 1.287 -10.706
279 2HB PHE 37 HB2 PHE 37 13.157 2.110 -12.092
280 HD1 PHE 37 HD1 PHE 37 14.091 2.483 -8.502
281 HD2 PHE 37 HD2 PHE 37 12.840 4.491 -12.104
282 HE1 PHE 37 HE1 PHE 37 14.592 4.679 -7.455
283 HE2 PHE 37 HE2 PHE 37 13.343 6.685 -11.053
284 HZ PHE 37 HZ PHE 37 14.218 6.780 -8.728
285 H GLY 38 H GLY 38 10.978 1.806 -13.019
286 1HA GLY 38 HA2 GLY 38 8.833 3.745 -12.254
287 2HA GLY 38 HA1 GLY 38 9.808 3.871 -13.737
No H/Q in entry = 287
Start of MODEL 17
1 1H MET 1 H1 MET 1 -21.177 -1.158 -0.638
2 2H MET 1 H2 MET 1 -22.047 -2.422 -1.245
3 3H MET 1 H3 MET 1 -22.759 -1.349 -0.214
4 HA MET 1 HA MET 1 -21.347 -2.022 1.573
5 1HB MET 1 HB2 MET 1 -22.834 -4.252 0.129
6 2HB MET 1 HB1 MET 1 -22.174 -4.411 1.772
7 1HG MET 1 HG1 MET 1 -24.178 -2.291 0.894
8 2HG MET 1 HG2 MET 1 -24.593 -3.791 1.731
9 1HE MET 1 HE3 MET 1 -24.629 -0.296 2.240
10 2HE MET 1 HE1 MET 1 -23.517 0.157 3.553
11 3HE MET 1 HE2 MET 1 -22.872 -0.287 1.957
12 H SER 2 H SER 2 -19.284 -2.483 1.998
13 HA SER 2 HA SER 2 -17.923 -4.753 0.882
14 1HB SER 2 HB2 SER 2 -16.103 -3.097 -0.161
15 2HB SER 2 HB1 SER 2 -17.497 -3.640 -1.119
16 HG SER 2 HG SER 2 -17.432 -1.243 0.420
17 H ASP 3 H ASP 3 -15.370 -4.339 1.430
18 HA ASP 3 HA ASP 3 -15.363 -3.753 4.288
19 1HB ASP 3 H ASP 3 -14.134 -5.676 3.272
20 2HB ASP 3 H ASP 3 -13.095 -4.527 2.404
21 H ASP 4 H ASP 4 -16.096 -1.444 3.672
22 HA ASP 4 HA ASP 4 -14.058 0.344 2.610
23 1HB ASP 4 H ASP 4 -16.724 0.832 4.008
24 2HB ASP 4 H ASP 4 -15.729 2.094 3.250
25 H LYS 5 H LYS 5 -12.472 -0.626 4.282
26 HA LYS 5 HA LYS 5 -12.589 1.009 6.782
27 1HB LYS 5 H LYS 5 -11.593 -0.802 7.969
28 2HB LYS 5 H LYS 5 -12.851 -1.555 6.976
29 1HG LYS 5 H LYS 5 -11.222 -2.302 5.342
30 2HG LYS 5 H LYS 5 -9.932 -1.359 6.118
31 1HD LYS 5 H LYS 5 -10.254 -2.729 8.207
32 2HD LYS 5 H LYS 5 -11.403 -3.745 7.305
33 1HE LYS 5 H LYS 5 -9.129 -4.740 7.334
34 2HE LYS 5 H LYS 5 -9.645 -4.334 5.686
35 1HZ LYS 5 H LYS 5 -7.959 -2.588 7.335
36 2HZ LYS 5 H LYS 5 -7.365 -3.678 6.247
37 3HZ LYS 5 H LYS 5 -8.303 -2.425 5.730
38 HA PRO 6 HA PRO 6 -8.709 2.638 5.463
39 1HB PRO 6 HB1 PRO 6 -7.261 2.694 7.889
40 2HB PRO 6 HB2 PRO 6 -8.382 3.952 7.296
41 1HG PRO 6 HG2 PRO 6 -8.756 2.044 9.494
42 2HG PRO 6 HG1 PRO 6 -9.751 3.461 9.053
43 1HD PRO 6 HD1 PRO 6 -10.302 0.664 8.572
44 2HD PRO 6 HD2 PRO 6 -11.311 2.075 8.142
45 H PHE 7 H PHE 7 -6.746 1.943 4.638
46 HA PHE 7 HA PHE 7 -5.654 -0.661 5.641
47 1HB PHE 7 HB2 PHE 7 -5.842 0.387 2.789
48 2HB PHE 7 HB1 PHE 7 -4.942 -1.053 3.279
49 HD1 PHE 7 HD2 PHE 7 -8.323 0.419 2.923
50 HD2 PHE 7 HD1 PHE 7 -6.044 -3.145 3.720
51 HE1 PHE 7 HE2 PHE 7 -10.373 -0.962 2.623
52 HE2 PHE 7 HE1 PHE 7 -8.094 -4.522 3.427
53 HZ PHE 7 HZ PHE 7 -10.256 -3.430 2.877
54 H LEU 8 H LEU 8 -3.910 0.020 6.820
55 HA LEU 8 HA LEU 8 -2.279 2.271 5.821
56 1HB LEU 8 HB2 LEU 8 -2.927 2.307 8.170
57 2HB LEU 8 HB1 LEU 8 -2.289 0.666 8.411
58 HG LEU 8 HG LEU 8 0.010 1.520 7.821
59 1HD1 LEU 8 HD13 LEU 8 -1.446 4.202 7.842
60 2HD1 LEU 8 HD11 LEU 8 0.322 4.020 7.899
61 3HD1 LEU 8 HD12 LEU 8 -0.580 3.469 6.472
62 1HD2 LEU 8 HD22 LEU 8 -0.737 1.330 10.173
63 2HD2 LEU 8 HD23 LEU 8 0.355 2.718 9.954
64 3HD2 LEU 8 HD21 LEU 8 -1.400 2.981 10.096
65 H CYS 9 H CYS 9 -0.605 1.854 4.477
66 HA CYS 9 HA CYS 9 0.550 -0.824 4.281
67 1HB CYS 9 HB2 CYS 9 0.353 0.572 2.276
68 2HB CYS 9 HB1 CYS 9 1.333 1.849 3.033
69 H THR 10 H THR 10 1.443 -1.267 6.334
70 HA THR 10 HA THR 10 2.929 0.409 7.966
71 HB THR 10 HB THR 10 3.548 -2.531 7.461
72 HG1 THR 10 HG1 THR 10 1.519 -1.341 9.058
73 1HG2 THR 10 HG23 THR 10 3.675 -0.747 9.938
74 2HG2 THR 10 HG21 THR 10 4.023 -2.493 9.905
75 3HG2 THR 10 HG22 THR 10 5.070 -1.361 9.017
76 H ALA 11 H ALA 11 4.580 1.711 7.391
77 HA ALA 11 HA ALA 11 7.035 0.559 6.381
78 1HB ALA 11 HB2 ALA 11 5.316 2.341 4.625
79 2HB ALA 11 HB1 ALA 11 7.076 2.210 4.405
80 3HB ALA 11 HB3 ALA 11 6.045 0.773 4.222
81 HA PRO 12 HA PRO 12 8.426 3.842 8.920
82 1HB PRO 12 HB1 PRO 12 10.968 4.283 7.865
83 2HB PRO 12 HB2 PRO 12 10.533 2.926 8.944
84 1HG PRO 12 HG2 PRO 12 10.892 2.947 5.961
85 2HG PRO 12 HG1 PRO 12 11.249 1.645 7.137
86 1HD PRO 12 HD1 PRO 12 9.007 1.726 5.492
87 2HD PRO 12 HD2 PRO 12 9.090 0.833 7.040
88 H GLY 13 H GLY 13 10.191 4.758 5.933
89 1HA GLY 13 HA2 GLY 13 9.333 7.519 6.238
90 2HA GLY 13 HA1 GLY 13 10.439 6.863 5.015
91 H CYS 14 H CYS 14 7.108 5.704 5.687
92 HA CYS 14 HA CYS 14 6.074 7.163 3.350
93 1HB CYS 14 HB2 CYS 14 7.064 5.227 2.262
94 2HB CYS 14 HB1 CYS 14 6.250 4.130 3.399
95 H GLY 15 H GLY 15 5.051 4.160 5.068
96 1HA GLY 15 HA1 GLY 15 3.067 3.661 6.118
97 2HA GLY 15 HA2 GLY 15 3.396 5.156 7.010
98 H GLN 16 H GLN 16 2.399 4.576 3.550
99 HA GLN 16 HA GLN 16 0.412 6.710 3.814
100 1HB GLN 16 HB1 GLN 16 1.422 4.959 1.568
101 2HB GLN 16 HB2 GLN 16 -0.070 5.907 1.378
102 1HG GLN 16 HG1 GLN 16 1.109 7.976 1.893
103 2HG GLN 16 HG2 GLN 16 2.597 7.082 2.266
104 HE2 GLN 16 HE22 GLN 16 1.357 7.325 -1.704
105 HE2 GLN 16 HE21 GLN 16 0.172 7.274 -0.416
106 H ARG 17 H ARG 17 -1.832 6.458 3.574
107 HA ARG 17 HA ARG 17 -2.853 3.701 4.058
108 1HB ARG 17 H ARG 17 -2.851 4.994 6.138
109 2HB ARG 17 H ARG 17 -3.705 6.322 5.336
110 1HG ARG 17 H ARG 17 -5.047 3.670 5.097
111 2HG ARG 17 H ARG 17 -4.922 4.283 6.756
112 1HD ARG 17 H ARG 17 -6.115 5.773 4.376
113 2HD ARG 17 H ARG 17 -7.024 5.043 5.709
114 HE ARG 17 H ARG 17 -5.673 7.609 5.699
115 1HH1 ARG 17 H ARG 17 -6.600 4.890 7.778
116 2HH1 ARG 17 H ARG 17 -6.699 5.860 9.227
117 1HH2 ARG 17 H ARG 17 -5.794 8.873 7.619
118 2HH2 ARG 17 H ARG 17 -6.219 8.125 9.141
119 H PHE 18 H PHE 18 -4.834 3.189 3.125
120 HA PHE 18 HA PHE 18 -6.076 5.232 1.357
121 1HB PHE 18 HB2 PHE 18 -5.513 2.407 0.418
122 2HB PHE 18 HB1 PHE 18 -6.007 3.812 -0.540
123 HD1 PHE 18 HD2 PHE 18 -3.182 2.373 1.437
124 HD2 PHE 18 HD1 PHE 18 -4.373 5.261 -1.524
125 HE1 PHE 18 HE2 PHE 18 -0.798 2.851 0.949
126 HE2 PHE 18 HE1 PHE 18 -1.983 5.738 -2.013
127 HZ PHE 18 HZ PHE 18 -0.197 4.533 -0.772
128 H THR 19 H THR 19 -8.281 4.642 0.738
129 HA THR 19 HA THR 19 -9.646 3.234 2.912
130 HB THR 19 HB THR 19 -10.904 4.416 0.413
131 HG1 THR 19 HG1 THR 19 -10.941 6.373 1.628
132 1HG2 THR 19 HG22 THR 19 -11.787 4.101 3.319
133 2HG2 THR 19 HG21 THR 19 -12.728 4.929 2.056
134 3HG2 THR 19 HG23 THR 19 -12.402 3.186 1.921
135 H ASN 20 H ASN 20 -8.361 2.442 -0.196
136 HA ASN 20 HA ASN 20 -10.053 -0.021 -0.317
137 1HB ASN 20 HB2 ASN 20 -9.167 1.948 -2.398
138 2HB ASN 20 HB1 ASN 20 -9.171 0.234 -2.850
139 1HD2 ASN 20 HD22 ASN 20 -12.651 -0.032 -3.171
140 2HD2 ASN 20 HD21 ASN 20 -11.064 -0.760 -3.374
141 H GLU 21 H GLU 21 -9.001 -1.953 -0.517
142 HA GLU 21 HA GLU 21 -6.193 -2.067 0.060
143 1HB GLU 21 H GLU 21 -6.463 -4.485 -0.236
144 2HB GLU 21 H GLU 21 -7.815 -3.833 0.713
145 1HG GLU 21 H GLU 21 -9.202 -3.759 -1.371
146 2HG GLU 21 H GLU 21 -7.857 -4.500 -2.263
147 H ASP 22 H ASP 22 -8.109 -1.814 -2.853
148 HA ASP 22 HA ASP 22 -6.379 -2.876 -4.798
149 1HB ASP 22 H ASP 22 -8.063 -0.348 -5.018
150 2HB ASP 22 H ASP 22 -7.582 -1.438 -6.336
151 H HIS 23 H HIS 23 -6.534 0.422 -3.368
152 HA HIS 23 HA HIS 23 -4.328 1.450 -4.885
153 1HB HIS 23 HB2 HIS 23 -5.464 2.366 -2.218
154 2HB HIS 23 HB1 HIS 23 -4.443 3.322 -3.308
155 HD1 HIS 23 HD1 HIS 23 -7.328 4.264 -2.454
156 HD2 HIS 23 HD2 HIS 23 -6.441 2.191 -5.982
157 HE1 HIS 23 HE1 HIS 23 -9.182 4.753 -4.124
158 H LEU 24 H LEU 24 -4.677 -0.200 -1.748
159 HA LEU 24 HA LEU 24 -1.990 0.264 -0.853
160 1HB LEU 24 HB2 LEU 24 -4.067 -0.567 0.464
161 2HB LEU 24 HB1 LEU 24 -3.662 -2.171 -0.181
162 HG LEU 24 HG LEU 24 -1.188 -1.427 0.711
163 1HD1 LEU 24 HD12 LEU 24 -3.236 0.071 2.376
164 2HD1 LEU 24 HD13 LEU 24 -1.642 -0.382 3.007
165 3HD1 LEU 24 HD11 LEU 24 -1.768 0.702 1.607
166 1HD2 LEU 24 HD23 LEU 24 -3.443 -2.568 2.430
167 2HD2 LEU 24 HD21 LEU 24 -2.414 -3.496 1.314
168 3HD2 LEU 24 HD22 LEU 24 -1.703 -2.737 2.758
169 H ALA 25 H ALA 25 -3.515 -2.120 -3.018
170 HA ALA 25 HA ALA 25 -1.400 -4.031 -3.032
171 1HB ALA 25 HB3 ALA 25 -3.714 -4.440 -3.851
172 2HB ALA 25 HB1 ALA 25 -3.405 -3.349 -5.221
173 3HB ALA 25 HB2 ALA 25 -2.484 -4.861 -5.065
174 H VAL 26 H VAL 26 -2.211 -1.458 -5.469
175 HA VAL 26 HA VAL 26 0.153 -1.841 -7.000
176 HB VAL 26 HB VAL 26 -0.338 0.409 -7.935
177 1HG1 VAL 26 HG12 VAL 26 -1.573 -1.627 -8.693
178 2HG1 VAL 26 HG11 VAL 26 -2.843 -1.278 -7.496
179 3HG1 VAL 26 HG13 VAL 26 -2.547 -0.146 -8.837
180 1HG2 VAL 26 HG23 VAL 26 -2.469 0.500 -5.755
181 2HG2 VAL 26 HG22 VAL 26 -1.058 1.576 -5.886
182 3HG2 VAL 26 HG21 VAL 26 -2.346 1.639 -7.109
183 H HIS 27 H HIS 27 -0.548 0.196 -4.151
184 HA HIS 27 HA HIS 27 1.923 1.635 -4.197
185 1HB HIS 27 HB2 HIS 27 -0.063 2.402 -3.001
186 2HB HIS 27 HB1 HIS 27 -0.021 0.967 -1.959
187 HD1 HIS 27 HD1 HIS 27 2.229 3.970 -2.824
188 HD2 HIS 27 HD2 HIS 27 1.395 1.356 0.325
189 HE1 HIS 27 HE1 HIS 27 3.568 4.744 -0.808
190 H LYS 28 H LYS 28 0.877 -1.462 -2.723
191 HA LYS 28 HA LYS 28 3.244 -1.878 -1.167
192 1HB LYS 28 H LYS 28 0.942 -3.544 -2.130
193 2HB LYS 28 H LYS 28 2.420 -4.395 -1.642
194 1HG LYS 28 H LYS 28 2.381 -3.340 0.553
195 2HG LYS 28 H LYS 28 1.025 -2.300 0.072
196 1HD LYS 28 H LYS 28 0.299 -4.263 1.459
197 2HD LYS 28 H LYS 28 -0.458 -4.228 -0.149
198 1HE LYS 28 H LYS 28 0.360 -6.509 0.538
199 2HE LYS 28 H LYS 28 1.067 -5.929 -0.980
200 1HZ LYS 28 H LYS 28 3.006 -5.243 0.296
201 2HZ LYS 28 H LYS 28 2.345 -5.889 1.666
202 3HZ LYS 28 H LYS 28 2.738 -6.869 0.398
203 H HIS 29 H HIS 29 2.222 -3.068 -4.427
204 HA HIS 29 HA HIS 29 4.499 -4.583 -5.011
205 1HB HIS 29 HB2 HIS 29 2.433 -4.523 -6.366
206 2HB HIS 29 HB1 HIS 29 2.829 -2.879 -6.899
207 HD1 HIS 29 HD1 HIS 29 5.578 -5.485 -6.638
208 HD2 HIS 29 HD2 HIS 29 3.165 -3.743 -9.588
209 HE1 HIS 29 HE1 HIS 29 6.533 -6.137 -8.903
210 H LYS 30 H LYS 30 4.001 -1.039 -5.279
211 HA LYS 30 HA LYS 30 6.334 -0.394 -6.720
212 1HB LYS 30 H LYS 30 4.475 1.172 -6.155
213 2HB LYS 30 H LYS 30 5.022 1.166 -4.465
214 1HG LYS 30 H LYS 30 7.180 2.124 -5.105
215 2HG LYS 30 H LYS 30 6.769 1.979 -6.827
216 1HD LYS 30 H LYS 30 6.463 4.309 -5.933
217 2HD LYS 30 H LYS 30 4.972 3.611 -6.604
218 1HE LYS 30 H LYS 30 4.678 4.818 -4.392
219 2HE LYS 30 H LYS 30 4.101 3.141 -4.402
220 1HZ LYS 30 H LYS 30 6.696 4.043 -3.357
221 2HZ LYS 30 H LYS 30 5.377 3.654 -2.446
222 3HZ LYS 30 H LYS 30 6.133 2.493 -3.339
223 H HIS 31 H HIS 31 5.847 -1.038 -3.224
224 HA HIS 31 HA HIS 31 8.635 -0.459 -2.560
225 1HB HIS 31 HB2 HIS 31 6.393 -1.842 -1.033
226 2HB HIS 31 HB1 HIS 31 7.971 -1.420 -0.352
227 HD1 HIS 31 HD1 HIS 31 8.531 1.367 -0.848
228 HD2 HIS 31 HD2 HIS 31 4.557 0.103 -0.370
229 HE1 HIS 31 HE1 HIS 31 7.145 3.400 -0.208
230 H GLU 32 H GLU 32 6.559 -3.382 -2.691
231 HA GLU 32 HA GLU 32 8.848 -5.185 -2.513
232 1HB GLU 32 H GLU 32 5.858 -5.635 -2.948
233 2HB GLU 32 H GLU 32 7.053 -6.923 -2.668
234 1HG GLU 32 H GLU 32 7.255 -6.439 -0.432
235 2HG GLU 32 H GLU 32 7.056 -4.693 -0.676
236 H MET 33 H MET 33 9.405 -3.650 -4.636
237 HA MET 33 HA MET 33 8.257 -4.690 -7.100
238 1HB MET 33 HB1 MET 33 9.120 -2.335 -6.750
239 2HB MET 33 HB2 MET 33 10.766 -3.006 -6.716
240 1HG MET 33 HG2 MET 33 10.412 -3.969 -8.969
241 2HG MET 33 HG1 MET 33 8.764 -3.322 -8.991
242 1HE MET 33 HE2 MET 33 10.810 -2.906 -11.331
243 2HE MET 33 HE3 MET 33 9.164 -2.228 -11.321
244 3HE MET 33 HE1 MET 33 10.554 -1.187 -11.711
245 H THR 34 H THR 34 8.645 -6.977 -6.724
246 HA THR 34 HA THR 34 11.377 -7.957 -6.565
247 HB THR 34 HB THR 34 9.651 -9.241 -5.493
248 HG1 THR 34 HG1 THR 34 11.244 -10.465 -6.521
249 1HG2 THR 34 HG23 THR 34 8.255 -9.144 -8.194
250 2HG2 THR 34 HG21 THR 34 7.843 -10.344 -6.951
251 3HG2 THR 34 HG22 THR 34 7.642 -8.612 -6.613
252 H LEU 35 H LEU 35 11.890 -6.466 -8.498
253 HA LEU 35 HA LEU 35 12.134 -8.169 -10.860
254 1HB LEU 35 HB1 LEU 35 9.860 -6.682 -10.821
255 2HB LEU 35 HB2 LEU 35 10.982 -5.464 -11.464
256 HG LEU 35 HG LEU 35 10.616 -8.279 -12.600
257 1HD1 LEU 35 HD12 LEU 35 8.607 -6.854 -12.903
258 2HD1 LEU 35 HD13 LEU 35 9.622 -5.577 -13.613
259 3HD1 LEU 35 HD11 LEU 35 9.438 -7.137 -14.450
260 1HD2 LEU 35 HD22 LEU 35 12.228 -5.843 -13.473
261 2HD2 LEU 35 HD21 LEU 35 12.826 -7.483 -13.124
262 3HD2 LEU 35 HD23 LEU 35 11.838 -7.189 -14.570
263 H LYS 36 H LYS 36 12.350 -4.736 -9.733
264 HA LYS 36 HA LYS 36 14.917 -4.406 -11.102
265 1HB LYS 36 H LYS 36 13.305 -2.558 -11.050
266 2HB LYS 36 H LYS 36 13.315 -2.569 -9.271
267 1HG LYS 36 H LYS 36 15.642 -1.904 -9.203
268 2HG LYS 36 H LYS 36 15.822 -2.151 -10.957
269 1HD LYS 36 H LYS 36 14.444 -0.274 -11.467
270 2HD LYS 36 H LYS 36 13.813 -0.188 -9.807
271 1HE LYS 36 H LYS 36 15.462 1.594 -10.145
272 2HE LYS 36 H LYS 36 16.092 0.403 -8.986
273 1HZ LYS 36 H LYS 36 17.306 -0.594 -10.827
274 2HZ LYS 36 H LYS 36 16.787 0.611 -11.832
275 3HZ LYS 36 H LYS 36 17.757 0.967 -10.546
276 H PHE 37 H PHE 37 16.416 -5.722 -10.144
277 HA PHE 37 HA PHE 37 16.784 -5.527 -7.195
278 1HB PHE 37 HB2 PHE 37 18.035 -7.436 -9.204
279 2HB PHE 37 HB1 PHE 37 18.124 -7.542 -7.437
280 HD1 PHE 37 HD1 PHE 37 15.738 -7.594 -6.214
281 HD2 PHE 37 HD2 PHE 37 16.444 -8.748 -10.305
282 HE1 PHE 37 HE1 PHE 37 13.663 -8.961 -6.190
283 HE2 PHE 37 HE2 PHE 37 14.369 -10.112 -10.277
284 HZ PHE 37 HZ PHE 37 12.978 -10.220 -8.221
285 H GLY 38 H GLY 38 17.424 -3.219 -8.536
286 1HA GLY 38 HA1 GLY 38 19.773 -2.301 -7.731
287 2HA GLY 38 HA2 GLY 38 20.315 -3.252 -9.135
No H/Q in entry = 287
Start of MODEL 18
1 1H MET 1 H1 MET 1 -11.806 4.713 10.487
2 2H MET 1 H2 MET 1 -11.109 5.536 9.234
3 3H MET 1 H3 MET 1 -10.414 5.562 10.736
4 HA MET 1 HA MET 1 -12.190 6.786 11.667
5 1HB MET 1 HB2 MET 1 -11.199 7.955 9.024
6 2HB MET 1 HB1 MET 1 -12.042 8.879 10.290
7 1HG MET 1 HG1 MET 1 -9.833 9.294 10.842
8 2HG MET 1 HG2 MET 1 -10.179 7.893 11.866
9 1HE MET 1 HE1 MET 1 -7.272 8.928 11.257
10 2HE MET 1 HE2 MET 1 -7.626 7.499 12.258
11 3HE MET 1 HE3 MET 1 -6.419 7.396 10.956
12 H SER 2 H SER 2 -13.114 8.059 8.596
13 HA SER 2 HA SER 2 -15.864 7.320 8.909
14 1HB SER 2 HB2 SER 2 -15.003 9.300 7.610
15 2HB SER 2 HB1 SER 2 -14.383 8.173 6.379
16 HG SER 2 HG SER 2 -16.481 8.972 5.883
17 H ASP 3 H ASP 3 -13.039 5.940 7.303
18 HA ASP 3 HA ASP 3 -14.510 3.817 5.955
19 1HB ASP 3 H ASP 3 -12.242 3.042 5.368
20 2HB ASP 3 H ASP 3 -12.425 4.776 5.028
21 H ASP 4 H ASP 4 -14.529 1.625 6.570
22 HA ASP 4 HA ASP 4 -14.592 1.150 9.407
23 1HB ASP 4 H ASP 4 -16.125 0.000 7.926
24 2HB ASP 4 H ASP 4 -14.784 -0.681 6.982
25 H LYS 5 H LYS 5 -12.691 -0.609 6.891
26 HA LYS 5 HA LYS 5 -10.700 -1.330 8.924
27 1HB LYS 5 H LYS 5 -11.601 -3.009 7.349
28 2HB LYS 5 H LYS 5 -10.973 -2.065 5.981
29 1HG LYS 5 H LYS 5 -8.903 -2.577 8.009
30 2HG LYS 5 H LYS 5 -9.611 -4.081 7.384
31 1HD LYS 5 H LYS 5 -9.182 -3.342 5.065
32 2HD LYS 5 H LYS 5 -8.499 -1.812 5.668
33 1HE LYS 5 H LYS 5 -6.719 -3.033 6.839
34 2HE LYS 5 H LYS 5 -7.427 -4.587 6.345
35 1HZ LYS 5 H LYS 5 -6.387 -2.539 4.515
36 2HZ LYS 5 H LYS 5 -5.607 -3.926 4.940
37 3HZ LYS 5 H LYS 5 -7.012 -4.003 4.074
38 HA PRO 6 HA PRO 6 -8.250 2.189 7.510
39 1HB PRO 6 HB1 PRO 6 -6.107 1.596 9.278
40 2HB PRO 6 HB2 PRO 6 -7.443 2.743 9.569
41 1HG PRO 6 HG2 PRO 6 -6.983 0.096 10.756
42 2HG PRO 6 HG1 PRO 6 -8.161 1.353 11.232
43 1HD PRO 6 HD2 PRO 6 -8.671 -1.095 9.810
44 2HD PRO 6 HD1 PRO 6 -9.831 0.206 10.204
45 H PHE 7 H PHE 7 -7.296 1.870 5.524
46 HA PHE 7 HA PHE 7 -5.706 -0.548 5.043
47 1HB PHE 7 HB2 PHE 7 -6.399 1.799 3.248
48 2HB PHE 7 HB1 PHE 7 -5.611 0.305 2.731
49 HD1 PHE 7 HD2 PHE 7 -8.793 1.809 3.904
50 HD2 PHE 7 HD1 PHE 7 -6.860 -1.755 2.457
51 HE1 PHE 7 HE2 PHE 7 -11.010 0.757 3.535
52 HE2 PHE 7 HE1 PHE 7 -9.080 -2.808 2.093
53 HZ PHE 7 HZ PHE 7 -11.154 -1.552 2.629
54 H LEU 8 H LEU 8 -4.229 0.342 6.883
55 HA LEU 8 HA LEU 8 -2.307 2.378 5.966
56 1HB LEU 8 HB2 LEU 8 -2.891 0.871 8.497
57 2HB LEU 8 HB1 LEU 8 -1.213 1.384 8.234
58 HG LEU 8 HG LEU 8 -2.688 3.022 9.523
59 1HD1 LEU 8 HD12 LEU 8 -0.552 3.661 8.400
60 2HD1 LEU 8 HD13 LEU 8 -1.464 4.052 6.925
61 3HD1 LEU 8 HD11 LEU 8 -1.738 4.986 8.411
62 1HD2 LEU 8 HD22 LEU 8 -4.694 2.668 8.003
63 2HD2 LEU 8 HD23 LEU 8 -4.285 4.366 8.330
64 3HD2 LEU 8 HD21 LEU 8 -3.846 3.630 6.776
65 H CYS 9 H CYS 9 -0.682 1.845 4.623
66 HA CYS 9 HA CYS 9 -0.141 -0.811 3.805
67 1HB CYS 9 HB2 CYS 9 0.475 1.086 2.442
68 2HB CYS 9 HB1 CYS 9 1.576 1.691 3.695
69 H THR 10 H THR 10 1.425 1.207 6.323
70 HA THR 10 HA THR 10 2.914 0.678 7.974
71 HB THR 10 HB THR 10 1.791 -2.145 7.866
72 HG1 THR 10 HG1 THR 10 0.007 -0.855 7.730
73 1HG2 THR 10 HG21 THR 10 2.588 -0.265 10.137
74 2HG2 THR 10 HG23 THR 10 1.991 -1.930 10.326
75 3HG2 THR 10 HG22 THR 10 3.557 -1.631 9.537
76 H ALA 11 H ALA 11 4.333 0.829 5.785
77 HA ALA 11 HA ALA 11 5.802 -1.693 5.318
78 1HB ALA 11 HB3 ALA 11 5.102 0.489 3.708
79 2HB ALA 11 HB2 ALA 11 6.835 0.730 4.025
80 3HB ALA 11 HB1 ALA 11 6.265 -0.790 3.296
81 HA PRO 12 HA PRO 12 9.253 -0.847 7.859
82 1HB PRO 12 HB2 PRO 12 11.325 -0.373 5.865
83 2HB PRO 12 HB1 PRO 12 11.060 -1.812 6.886
84 1HG PRO 12 HG2 PRO 12 10.548 -1.550 4.073
85 2HG PRO 12 HG1 PRO 12 10.163 -2.943 5.122
86 1HD PRO 12 HD1 PRO 12 8.354 -0.979 3.970
87 2HD PRO 12 HD2 PRO 12 7.952 -2.442 4.914
88 H GLY 13 H GLY 13 9.758 1.295 4.981
89 1HA GLY 13 HA1 GLY 13 10.322 3.556 6.842
90 2HA GLY 13 HA2 GLY 13 10.802 3.453 5.136
91 H CYS 14 H CYS 14 8.189 2.437 4.219
92 HA CYS 14 HA CYS 14 6.806 5.051 4.110
93 1HB CYS 14 HB2 CYS 14 7.377 3.810 2.025
94 2HB CYS 14 HB1 CYS 14 6.338 2.469 2.565
95 H GLY 15 H GLY 15 4.589 5.328 4.662
96 1HA GLY 15 HA1 GLY 15 3.104 3.049 5.776
97 2HA GLY 15 HA2 GLY 15 3.555 4.319 6.938
98 H GLN 16 H GLN 16 2.340 4.223 3.524
99 HA GLN 16 HA GLN 16 0.737 6.605 3.997
100 1HB GLN 16 HB1 GLN 16 1.661 5.015 1.709
101 2HB GLN 16 HB2 GLN 16 -0.049 5.462 1.563
102 1HG GLN 16 HG2 GLN 16 1.152 7.256 0.573
103 2HG GLN 16 HG1 GLN 16 0.637 7.849 2.163
104 HE2 GLN 16 HE22 GLN 16 2.731 9.065 0.761
105 HE2 GLN 16 HE21 GLN 16 4.235 8.776 1.608
106 H ARG 17 H ARG 17 -1.583 6.644 3.443
107 HA ARG 17 HA ARG 17 -3.015 4.206 4.401
108 1HB ARG 17 H ARG 17 -2.977 5.877 6.161
109 2HB ARG 17 H ARG 17 -3.464 7.146 5.025
110 1HG ARG 17 H ARG 17 -5.265 4.748 5.288
111 2HG ARG 17 H ARG 17 -5.232 5.909 6.631
112 1HD ARG 17 H ARG 17 -5.403 7.599 4.446
113 2HD ARG 17 H ARG 17 -6.363 6.213 3.903
114 HE ARG 17 H ARG 17 -7.086 8.155 5.904
115 1HH1 ARG 17 H ARG 17 -7.549 4.801 4.836
116 2HH1 ARG 17 H ARG 17 -8.885 4.500 5.934
117 1HH2 ARG 17 H ARG 17 -8.956 7.798 7.201
118 2HH2 ARG 17 H ARG 17 -9.818 6.275 7.103
119 H PHE 18 H PHE 18 -4.952 3.736 3.382
120 HA PHE 18 HA PHE 18 -5.782 5.486 1.122
121 1HB PHE 18 HB2 PHE 18 -5.341 2.483 0.934
122 2HB PHE 18 HB1 PHE 18 -5.893 3.555 -0.364
123 HD1 PHE 18 HD2 PHE 18 -2.999 2.669 1.789
124 HD2 PHE 18 HD1 PHE 18 -4.333 4.900 -1.635
125 HE1 PHE 18 HE2 PHE 18 -0.644 3.095 1.162
126 HE2 PHE 18 HE1 PHE 18 -1.969 5.351 -2.256
127 HZ PHE 18 HZ PHE 18 -0.125 4.458 -0.845
128 H THR 19 H THR 19 -7.858 4.181 0.107
129 HA THR 19 HA THR 19 -9.640 3.650 2.448
130 HB THR 19 HB THR 19 -10.557 4.694 -0.247
131 HG1 THR 19 HG1 THR 19 -10.307 6.775 0.646
132 1HG2 THR 19 HG23 THR 19 -11.590 4.909 2.619
133 2HG2 THR 19 HG21 THR 19 -12.337 5.697 1.210
134 3HG2 THR 19 HG22 THR 19 -12.289 3.924 1.313
135 H ASN 20 H ASN 20 -8.046 2.141 -0.106
136 HA ASN 20 HA ASN 20 -9.996 -0.083 -0.087
137 1HB ASN 20 HB2 ASN 20 -8.952 1.268 -2.609
138 2HB ASN 20 HB1 ASN 20 -9.827 -0.273 -2.574
139 1HD2 ASN 20 HD22 ASN 20 -13.039 1.146 -2.139
140 2HD2 ASN 20 HD21 ASN 20 -12.066 -0.308 -2.131
141 H GLU 21 H GLU 21 -9.064 -2.100 -0.575
142 HA GLU 21 HA GLU 21 -6.294 -2.385 0.110
143 1HB GLU 21 H GLU 21 -8.438 -4.028 0.213
144 2HB GLU 21 H GLU 21 -7.764 -4.564 -1.342
145 1HG GLU 21 H GLU 21 -6.732 -5.952 0.293
146 2HG GLU 21 H GLU 21 -5.501 -4.740 -0.119
147 H ASP 22 H ASP 22 -8.084 -2.028 -2.906
148 HA ASP 22 HA ASP 22 -6.223 -3.077 -4.756
149 1HB ASP 22 H ASP 22 -8.438 -2.502 -5.469
150 2HB ASP 22 H ASP 22 -8.274 -0.838 -4.868
151 H HIS 23 H HIS 23 -6.576 0.206 -3.356
152 HA HIS 23 HA HIS 23 -4.415 1.327 -4.871
153 1HB HIS 23 HB2 HIS 23 -5.525 2.279 -2.212
154 2HB HIS 23 HB1 HIS 23 -4.705 3.248 -3.448
155 HD1 HIS 23 HD1 HIS 23 -6.553 1.655 -5.787
156 HD2 HIS 23 HD2 HIS 23 -7.820 3.974 -2.533
157 HE1 HIS 23 HE1 HIS 23 -8.887 2.519 -6.309
158 H LEU 24 H LEU 24 -4.718 -0.392 -1.804
159 HA LEU 24 HA LEU 24 -2.068 0.242 -0.849
160 1HB LEU 24 HB2 LEU 24 -4.215 -0.673 0.388
161 2HB LEU 24 HB1 LEU 24 -3.589 -2.256 -0.114
162 HG LEU 24 HG LEU 24 -1.292 -1.368 0.888
163 1HD1 LEU 24 HD13 LEU 24 -3.376 0.542 1.956
164 2HD1 LEU 24 HD12 LEU 24 -1.964 0.113 2.937
165 3HD1 LEU 24 HD11 LEU 24 -1.737 0.878 1.354
166 1HD2 LEU 24 HD22 LEU 24 -2.711 -3.227 1.816
167 2HD2 LEU 24 HD21 LEU 24 -1.922 -2.265 3.088
168 3HD2 LEU 24 HD23 LEU 24 -3.647 -2.017 2.729
169 H ALA 25 H ALA 25 -3.500 -2.185 -3.003
170 HA ALA 25 HA ALA 25 -1.340 -4.057 -2.966
171 1HB ALA 25 HB2 ALA 25 -3.643 -4.545 -3.768
172 2HB ALA 25 HB3 ALA 25 -3.375 -3.463 -5.154
173 3HB ALA 25 HB1 ALA 25 -2.409 -4.946 -4.985
174 H VAL 26 H VAL 26 -2.233 -1.552 -5.441
175 HA VAL 26 HA VAL 26 0.121 -1.893 -6.995
176 HB VAL 26 HB VAL 26 -0.457 0.307 -7.972
177 1HG1 VAL 26 HG13 VAL 26 -1.695 -1.774 -8.619
178 2HG1 VAL 26 HG12 VAL 26 -2.931 -1.385 -7.398
179 3HG1 VAL 26 HG11 VAL 26 -2.680 -0.301 -8.786
180 1HG2 VAL 26 HG21 VAL 26 -2.487 0.424 -5.700
181 2HG2 VAL 26 HG22 VAL 26 -1.109 1.520 -5.938
182 3HG2 VAL 26 HG23 VAL 26 -2.460 1.523 -7.093
183 H HIS 27 H HIS 27 -0.552 0.027 -4.091
184 HA HIS 27 HA HIS 27 1.831 1.623 -4.182
185 1HB HIS 27 HB2 HIS 27 -0.117 2.266 -2.896
186 2HB HIS 27 HB1 HIS 27 -0.045 0.768 -1.955
187 HD1 HIS 27 HD1 HIS 27 2.198 3.839 -2.606
188 HD2 HIS 27 HD2 HIS 27 1.254 1.081 0.382
189 HE1 HIS 27 HE1 HIS 27 3.436 4.540 -0.499
190 H LYS 28 H LYS 28 0.937 -1.411 -2.449
191 HA LYS 28 HA LYS 28 3.426 -1.889 -1.199
192 1HB LYS 28 H LYS 28 1.045 -3.518 -2.022
193 2HB LYS 28 H LYS 28 2.524 -4.403 -1.642
194 1HG LYS 28 H LYS 28 1.227 -2.336 0.194
195 2HG LYS 28 H LYS 28 0.975 -4.087 0.330
196 1HD LYS 28 H LYS 28 3.545 -2.518 0.797
197 2HD LYS 28 H LYS 28 2.668 -3.554 1.936
198 1HE LYS 28 H LYS 28 4.266 -4.426 -0.505
199 2HE LYS 28 H LYS 28 4.629 -4.755 1.196
200 1HZ LYS 28 H LYS 28 2.258 -5.755 -0.221
201 2HZ LYS 28 H LYS 28 3.635 -6.628 0.046
202 3HZ LYS 28 H LYS 28 2.709 -6.121 1.321
203 H HIS 29 H HIS 29 2.185 -2.836 -4.431
204 HA HIS 29 HA HIS 29 4.247 -4.523 -5.242
205 1HB HIS 29 HB2 HIS 29 2.136 -4.106 -6.472
206 2HB HIS 29 HB1 HIS 29 2.723 -2.496 -6.921
207 HD1 HIS 29 HD1 HIS 29 4.758 -2.375 -8.638
208 HD2 HIS 29 HD2 HIS 29 3.186 -6.205 -8.013
209 HE1 HIS 29 HE1 HIS 29 5.642 -3.884 -10.486
210 H LYS 30 H LYS 30 4.091 -0.918 -5.507
211 HA LYS 30 HA LYS 30 6.555 -0.638 -6.904
212 1HB LYS 30 H LYS 30 4.938 1.203 -5.113
213 2HB LYS 30 H LYS 30 6.456 1.725 -5.882
214 1HG LYS 30 H LYS 30 5.518 1.036 -8.106
215 2HG LYS 30 H LYS 30 3.974 0.667 -7.313
216 1HD LYS 30 H LYS 30 5.311 3.395 -7.081
217 2HD LYS 30 H LYS 30 4.214 2.999 -8.421
218 1HE LYS 30 H LYS 30 3.484 2.788 -5.465
219 2HE LYS 30 H LYS 30 3.068 4.156 -6.515
220 1HZ LYS 30 H LYS 30 1.908 2.549 -7.932
221 2HZ LYS 30 H LYS 30 2.169 1.374 -6.800
222 3HZ LYS 30 H LYS 30 1.251 2.695 -6.426
223 H HIS 31 H HIS 31 5.852 -1.145 -3.444
224 HA HIS 31 HA HIS 31 8.544 -0.395 -2.597
225 1HB HIS 31 HB2 HIS 31 6.292 -1.911 -1.225
226 2HB HIS 31 HB1 HIS 31 7.819 -1.469 -0.445
227 HD1 HIS 31 HD1 HIS 31 8.198 1.431 -1.384
228 HD2 HIS 31 HD2 HIS 31 4.518 -0.118 -0.106
229 HE1 HIS 31 HE1 HIS 31 6.762 3.383 -0.621
230 H GLU 32 H GLU 32 6.741 -3.455 -3.119
231 HA GLU 32 HA GLU 32 8.927 -5.176 -2.425
232 1HB GLU 32 H GLU 32 6.387 -5.588 -4.054
233 2HB GLU 32 H GLU 32 7.480 -6.904 -3.563
234 1HG GLU 32 H GLU 32 7.054 -6.556 -1.249
235 2HG GLU 32 H GLU 32 6.350 -4.952 -1.528
236 H MET 33 H MET 33 7.994 -3.506 -5.407
237 HA MET 33 HA MET 33 9.463 -5.123 -7.250
238 1HB MET 33 HB1 MET 33 7.670 -3.511 -7.865
239 2HB MET 33 HB2 MET 33 8.719 -2.163 -7.373
240 1HG MET 33 HG2 MET 33 10.324 -2.699 -9.094
241 2HG MET 33 HG1 MET 33 9.492 -4.218 -9.473
242 1HE MET 33 HE3 MET 33 9.456 -3.777 -11.999
243 2HE MET 33 HE1 MET 33 8.906 -2.266 -12.758
244 3HE MET 33 HE2 MET 33 10.368 -2.271 -11.747
245 H THR 34 H THR 34 11.574 -5.571 -6.691
246 HA THR 34 HA THR 34 13.357 -3.636 -5.529
247 HB THR 34 HB THR 34 15.083 -5.419 -6.194
248 HG1 THR 34 HG1 THR 34 14.123 -7.381 -6.879
249 1HG2 THR 34 HG21 THR 34 13.968 -5.331 -3.972
250 2HG2 THR 34 HG22 THR 34 12.621 -6.298 -4.617
251 3HG2 THR 34 HG23 THR 34 14.247 -7.008 -4.498
252 H LEU 35 H LEU 35 12.270 -4.194 -8.776
253 HA LEU 35 HA LEU 35 14.672 -3.145 -10.071
254 1HB LEU 35 HB1 LEU 35 11.941 -4.106 -10.966
255 2HB LEU 35 HB2 LEU 35 12.962 -3.166 -12.076
256 HG LEU 35 HG LEU 35 14.828 -4.803 -11.699
257 1HD1 LEU 35 HD13 LEU 35 12.667 -6.187 -10.059
258 2HD1 LEU 35 HD12 LEU 35 14.057 -7.065 -10.740
259 3HD1 LEU 35 HD11 LEU 35 14.323 -5.762 -9.564
260 1HD2 LEU 35 HD22 LEU 35 13.286 -4.995 -13.633
261 2HD2 LEU 35 HD21 LEU 35 13.822 -6.595 -13.070
262 3HD2 LEU 35 HD23 LEU 35 12.193 -6.008 -12.658
263 H LYS 36 H LYS 36 14.167 -1.314 -8.258
264 HA LYS 36 HA LYS 36 12.261 0.709 -9.069
265 1HB LYS 36 H LYS 36 14.650 0.793 -7.180
266 2HB LYS 36 H LYS 36 13.377 2.032 -7.299
267 1HG LYS 36 H LYS 36 11.714 0.110 -6.822
268 2HG LYS 36 H LYS 36 13.142 -0.838 -6.338
269 1HD LYS 36 H LYS 36 13.731 1.206 -4.832
270 2HD LYS 36 H LYS 36 12.043 1.706 -5.094
271 1HE LYS 36 H LYS 36 13.033 -0.902 -3.863
272 2HE LYS 36 H LYS 36 12.145 0.401 -3.045
273 1HZ LYS 36 H LYS 36 10.280 -0.073 -4.486
274 2HZ LYS 36 H LYS 36 11.113 -1.301 -5.207
275 3HZ LYS 36 H LYS 36 10.711 -1.407 -3.610
276 H PHE 37 H PHE 37 15.803 0.223 -9.352
277 HA PHE 37 HA PHE 37 15.891 1.893 -11.743
278 1HB PHE 37 HB1 PHE 37 16.010 3.624 -10.025
279 2HB PHE 37 HB2 PHE 37 17.273 2.732 -9.163
280 HD1 PHE 37 HD1 PHE 37 16.508 4.599 -12.304
281 HD2 PHE 37 HD2 PHE 37 19.576 2.928 -9.781
282 HE1 PHE 37 HE1 PHE 37 18.245 5.784 -13.628
283 HE2 PHE 37 HE2 PHE 37 21.310 4.115 -11.107
284 HZ PHE 37 HZ PHE 37 20.645 5.543 -13.029
285 H GLY 38 H GLY 38 17.901 0.483 -9.091
286 1HA GLY 38 HA1 GLY 38 19.060 -1.532 -10.727
287 2HA GLY 38 HA2 GLY 38 20.164 -0.139 -10.641
No H/Q in entry = 287
Start of MODEL 19
1 1H MET 1 H3 MET 1 -4.042 -2.455 10.832
2 2H MET 1 H1 MET 1 -3.730 -1.019 11.588
3 3H MET 1 H2 MET 1 -2.848 -2.358 11.972
4 HA MET 1 HA MET 1 -4.756 -3.443 12.876
5 1HB MET 1 HB2 MET 1 -3.331 -2.068 14.364
6 2HB MET 1 HB1 MET 1 -4.316 -0.636 13.986
7 1HG MET 1 HG2 MET 1 -6.293 -1.685 14.953
8 2HG MET 1 HG1 MET 1 -5.413 -3.202 15.201
9 1HE MET 1 HE3 MET 1 -7.167 -1.721 17.398
10 2HE MET 1 HE2 MET 1 -6.320 -3.261 17.670
11 3HE MET 1 HE1 MET 1 -6.133 -1.927 18.831
12 H SER 2 H SER 2 -6.931 -3.705 12.780
13 HA SER 2 HA SER 2 -9.080 -3.381 12.045
14 1HB SER 2 HB2 SER 2 -8.576 -0.529 13.000
15 2HB SER 2 HB1 SER 2 -10.157 -1.321 12.803
16 HG SER 2 HG SER 2 -9.532 -2.813 14.398
17 H ASP 3 H ASP 3 -7.395 -3.452 9.955
18 HA ASP 3 HA ASP 3 -7.607 -1.060 8.303
19 1HB ASP 3 H ASP 3 -6.585 -3.874 7.748
20 2HB ASP 3 H ASP 3 -6.435 -2.498 6.636
21 H ASP 4 H ASP 4 -10.178 -1.784 9.045
22 HA ASP 4 HA ASP 4 -11.466 -3.493 7.119
23 1HB ASP 4 H ASP 4 -12.586 -1.218 8.817
24 2HB ASP 4 H ASP 4 -13.531 -2.486 8.009
25 H LYS 5 H LYS 5 -11.462 0.076 7.548
26 HA LYS 5 HA LYS 5 -11.787 0.364 4.607
27 1HB LYS 5 H LYS 5 -13.560 1.292 6.322
28 2HB LYS 5 H LYS 5 -12.368 2.590 6.556
29 1HG LYS 5 H LYS 5 -13.634 3.454 4.794
30 2HG LYS 5 H LYS 5 -12.321 2.637 3.911
31 1HD LYS 5 H LYS 5 -13.929 0.550 3.977
32 2HD LYS 5 H LYS 5 -15.194 1.752 4.317
33 1HE LYS 5 H LYS 5 -13.342 1.651 1.896
34 2HE LYS 5 H LYS 5 -15.097 1.379 1.913
35 1HZ LYS 5 H LYS 5 -15.314 3.680 2.685
36 2HZ LYS 5 H LYS 5 -13.691 3.901 2.460
37 3HZ LYS 5 H LYS 5 -14.665 3.555 1.173
38 HA PRO 6 HA PRO 6 -8.269 3.306 5.771
39 1HB PRO 6 HB2 PRO 6 -7.182 3.220 8.323
40 2HB PRO 6 HB1 PRO 6 -8.467 4.342 7.802
41 1HG PRO 6 HG1 PRO 6 -8.657 2.007 9.600
42 2HG PRO 6 HG2 PRO 6 -9.828 3.333 9.343
43 1HD PRO 6 HD1 PRO 6 -9.864 0.638 8.253
44 2HD PRO 6 HD2 PRO 6 -11.086 1.929 8.061
45 H PHE 7 H PHE 7 -7.271 1.716 4.375
46 HA PHE 7 HA PHE 7 -5.827 -0.529 5.544
47 1HB PHE 7 HB2 PHE 7 -5.770 0.647 2.741
48 2HB PHE 7 HB1 PHE 7 -5.112 -0.922 3.231
49 HD1 PHE 7 HD1 PHE 7 -6.599 -2.801 3.806
50 HD2 PHE 7 HD2 PHE 7 -8.165 0.994 2.532
51 HE1 PHE 7 HE1 PHE 7 -8.827 -3.840 3.444
52 HE2 PHE 7 HE2 PHE 7 -10.391 -0.035 2.185
53 HZ PHE 7 HZ PHE 7 -10.725 -2.458 2.629
54 H LEU 8 H LEU 8 -4.126 -0.030 6.824
55 HA LEU 8 HA LEU 8 -2.331 2.206 6.078
56 1HB LEU 8 HB2 LEU 8 -2.618 0.403 8.513
57 2HB LEU 8 HB1 LEU 8 -1.297 1.581 8.333
58 HG LEU 8 HG LEU 8 -4.115 2.548 7.878
59 1HD1 LEU 8 HD13 LEU 8 -2.886 2.013 10.620
60 2HD1 LEU 8 HD11 LEU 8 -4.365 2.959 10.325
61 3HD1 LEU 8 HD12 LEU 8 -4.329 1.222 9.939
62 1HD2 LEU 8 HD23 LEU 8 -2.047 3.970 7.583
63 2HD2 LEU 8 HD22 LEU 8 -3.187 4.606 8.791
64 3HD2 LEU 8 HD21 LEU 8 -1.712 3.760 9.317
65 H CYS 9 H CYS 9 -0.712 1.754 4.669
66 HA CYS 9 HA CYS 9 0.228 -0.910 4.150
67 1HB CYS 9 HB2 CYS 9 0.410 0.821 2.457
68 2HB CYS 9 HB1 CYS 9 1.401 1.833 3.533
69 H THR 10 H THR 10 1.793 -2.100 5.119
70 HA THR 10 HA THR 10 3.018 -1.072 7.556
71 HB THR 10 HB THR 10 3.997 -3.385 7.629
72 HG1 THR 10 HG1 THR 10 4.130 -3.728 5.398
73 1HG2 THR 10 HG22 THR 10 1.746 -2.872 8.579
74 2HG2 THR 10 HG21 THR 10 1.007 -3.280 7.012
75 3HG2 THR 10 HG23 THR 10 1.845 -4.535 7.954
76 H ALA 11 H ALA 11 4.192 0.737 6.441
77 HA ALA 11 HA ALA 11 6.844 -0.240 5.530
78 1HB ALA 11 HB2 ALA 11 5.081 1.842 4.200
79 2HB ALA 11 HB1 ALA 11 6.836 1.746 3.924
80 3HB ALA 11 HB3 ALA 11 5.788 0.380 3.477
81 HA PRO 12 HA PRO 12 8.002 2.428 8.822
82 1HB PRO 12 HB2 PRO 12 10.680 2.824 8.146
83 2HB PRO 12 HB1 PRO 12 10.034 1.370 8.960
84 1HG PRO 12 HG2 PRO 12 10.785 1.765 6.081
85 2HG PRO 12 HG1 PRO 12 10.882 0.287 7.086
86 1HD PRO 12 HD1 PRO 12 8.895 0.809 5.201
87 2HD PRO 12 HD2 PRO 12 8.712 -0.311 6.585
88 H GLY 13 H GLY 13 10.094 3.591 6.136
89 1HA GLY 13 HA2 GLY 13 9.515 6.349 6.841
90 2HA GLY 13 HA1 GLY 13 10.616 5.768 5.577
91 H CYS 14 H CYS 14 7.186 4.753 5.766
92 HA CYS 14 HA CYS 14 6.424 6.792 3.779
93 1HB CYS 14 HB2 CYS 14 7.472 4.948 2.444
94 2HB CYS 14 HB1 CYS 14 6.237 3.839 3.084
95 H GLY 15 H GLY 15 5.276 3.583 4.947
96 1HA GLY 15 HA2 GLY 15 3.148 2.941 5.594
97 2HA GLY 15 HA1 GLY 15 3.476 4.147 6.848
98 H GLN 16 H GLN 16 2.412 4.156 3.355
99 HA GLN 16 HA GLN 16 0.720 6.481 3.855
100 1HB GLN 16 HB2 GLN 16 1.368 4.724 1.491
101 2HB GLN 16 HB1 GLN 16 -0.058 5.782 1.435
102 1HG GLN 16 HG1 GLN 16 1.322 7.742 1.929
103 2HG GLN 16 HG2 GLN 16 2.762 6.717 2.104
104 HE2 GLN 16 HE22 GLN 16 0.109 7.344 -0.272
105 HE2 GLN 16 HE21 GLN 16 1.141 7.315 -1.684
106 H ARG 17 H ARG 17 -1.606 6.472 3.400
107 HA ARG 17 HA ARG 17 -2.906 3.892 4.134
108 1HB ARG 17 H ARG 17 -2.921 5.403 6.058
109 2HB ARG 17 H ARG 17 -3.583 6.713 5.060
110 1HG ARG 17 H ARG 17 -5.119 4.139 5.040
111 2HG ARG 17 H ARG 17 -5.128 5.041 6.570
112 1HD ARG 17 H ARG 17 -6.163 6.920 5.628
113 2HD ARG 17 H ARG 17 -5.663 6.509 3.975
114 HE ARG 17 H ARG 17 -7.285 4.433 4.508
115 1HH1 ARG 17 H ARG 17 -7.684 7.940 4.808
116 2HH1 ARG 17 H ARG 17 -9.430 7.878 4.816
117 1HH2 ARG 17 H ARG 17 -9.594 4.355 4.549
118 2HH2 ARG 17 H ARG 17 -10.519 5.838 4.627
119 H PHE 18 H PHE 18 -4.868 3.442 3.135
120 HA PHE 18 HA PHE 18 -5.867 5.401 1.140
121 1HB PHE 18 HB2 PHE 18 -5.397 2.469 0.501
122 2HB PHE 18 HB1 PHE 18 -5.914 3.751 -0.606
123 HD1 PHE 18 HD2 PHE 18 -3.059 2.522 1.451
124 HD2 PHE 18 HD1 PHE 18 -4.307 5.141 -1.727
125 HE1 PHE 18 HE2 PHE 18 -0.684 2.966 0.889
126 HE2 PHE 18 HE1 PHE 18 -1.927 5.585 -2.290
127 HZ PHE 18 HZ PHE 18 -0.117 4.498 -0.977
128 H THR 19 H THR 19 -8.063 4.814 0.391
129 HA THR 19 HA THR 19 -9.599 3.577 2.595
130 HB THR 19 HB THR 19 -10.250 5.832 1.803
131 HG1 THR 19 HG1 THR 19 -12.042 3.714 1.197
132 1HG2 THR 19 HG21 THR 19 -10.811 4.399 -0.836
133 2HG2 THR 19 HG23 THR 19 -11.275 6.071 -0.450
134 3HG2 THR 19 HG22 THR 19 -9.557 5.629 -0.561
135 H ASN 20 H ASN 20 -8.022 2.366 0.017
136 HA ASN 20 HA ASN 20 -9.995 0.194 -0.346
137 1HB ASN 20 HB2 ASN 20 -9.116 2.156 -2.417
138 2HB ASN 20 HB1 ASN 20 -9.081 0.452 -2.902
139 1HD2 ASN 20 HD21 ASN 20 -12.568 0.077 -3.155
140 2HD2 ASN 20 HD22 ASN 20 -10.973 -0.646 -3.315
141 H GLU 21 H GLU 21 -9.023 -1.776 -0.482
142 HA GLU 21 HA GLU 21 -6.225 -2.013 0.061
143 1HB GLU 21 H GLU 21 -6.612 -4.425 -0.226
144 2HB GLU 21 H GLU 21 -7.909 -3.696 0.747
145 1HG GLU 21 H GLU 21 -9.316 -3.543 -1.336
146 2HG GLU 21 H GLU 21 -8.037 -4.403 -2.218
147 H ASP 22 H ASP 22 -8.118 -1.701 -2.858
148 HA ASP 22 HA ASP 22 -6.430 -2.877 -4.779
149 1HB ASP 22 H ASP 22 -8.010 -0.290 -5.054
150 2HB ASP 22 H ASP 22 -7.579 -1.430 -6.345
151 H HIS 23 H HIS 23 -6.483 0.472 -3.458
152 HA HIS 23 HA HIS 23 -4.228 1.369 -4.982
153 1HB HIS 23 HB2 HIS 23 -5.277 2.435 -2.338
154 2HB HIS 23 HB1 HIS 23 -4.310 3.312 -3.534
155 HD1 HIS 23 HD1 HIS 23 -6.142 2.087 -6.006
156 HD2 HIS 23 HD2 HIS 23 -7.431 4.261 -2.668
157 HE1 HIS 23 HE1 HIS 23 -8.372 3.160 -6.597
158 H LEU 24 H LEU 24 -4.668 -0.087 -1.754
159 HA LEU 24 HA LEU 24 -1.998 0.303 -0.831
160 1HB LEU 24 HB2 LEU 24 -4.124 -0.465 0.446
161 2HB LEU 24 HB1 LEU 24 -3.723 -2.090 -0.149
162 HG LEU 24 HG LEU 24 -1.273 -1.401 0.791
163 1HD1 LEU 24 HD13 LEU 24 -3.285 0.294 2.306
164 2HD1 LEU 24 HD12 LEU 24 -1.750 -0.224 3.030
165 3HD1 LEU 24 HD11 LEU 24 -1.743 0.788 1.572
166 1HD2 LEU 24 HD21 LEU 24 -3.622 -2.362 2.490
167 2HD2 LEU 24 HD23 LEU 24 -2.575 -3.381 1.477
168 3HD2 LEU 24 HD22 LEU 24 -1.904 -2.560 2.905
169 H ALA 25 H ALA 25 -3.529 -2.173 -2.905
170 HA ALA 25 HA ALA 25 -1.430 -4.085 -2.840
171 1HB ALA 25 HB3 ALA 25 -3.727 -4.509 -3.683
172 2HB ALA 25 HB1 ALA 25 -3.400 -3.454 -5.076
173 3HB ALA 25 HB2 ALA 25 -2.486 -4.965 -4.873
174 H VAL 26 H VAL 26 -2.168 -1.623 -5.417
175 HA VAL 26 HA VAL 26 0.229 -2.101 -6.865
176 HB VAL 26 HB VAL 26 -0.216 0.106 -7.926
177 1HG1 VAL 26 HG12 VAL 26 -1.424 -1.963 -8.628
178 2HG1 VAL 26 HG11 VAL 26 -2.730 -1.566 -7.487
179 3HG1 VAL 26 HG13 VAL 26 -2.399 -0.495 -8.868
180 1HG2 VAL 26 HG23 VAL 26 -2.437 0.303 -5.847
181 2HG2 VAL 26 HG22 VAL 26 -1.008 1.354 -5.943
182 3HG2 VAL 26 HG21 VAL 26 -2.228 1.389 -7.233
183 H HIS 27 H HIS 27 -0.500 0.045 -4.116
184 HA HIS 27 HA HIS 27 1.942 1.523 -4.155
185 1HB HIS 27 HB2 HIS 27 0.060 2.333 -2.927
186 2HB HIS 27 HB1 HIS 27 -0.098 0.814 -2.030
187 HD1 HIS 27 HD1 HIS 27 2.323 3.775 -2.348
188 HD2 HIS 27 HD2 HIS 27 1.235 0.770 0.346
189 HE1 HIS 27 HE1 HIS 27 3.536 4.224 -0.164
190 H LYS 28 H LYS 28 0.950 -1.530 -2.533
191 HA LYS 28 HA LYS 28 3.401 -1.889 -1.094
192 1HB LYS 28 H LYS 28 1.093 -2.977 -0.698
193 2HB LYS 28 H LYS 28 1.511 -4.081 -2.022
194 1HG LYS 28 H LYS 28 2.167 -5.195 -0.017
195 2HG LYS 28 H LYS 28 3.676 -4.577 -0.728
196 1HD LYS 28 H LYS 28 3.841 -2.816 0.857
197 2HD LYS 28 H LYS 28 2.120 -2.934 1.296
198 1HE LYS 28 H LYS 28 3.468 -3.890 3.088
199 2HE LYS 28 H LYS 28 2.558 -5.187 2.288
200 1HZ LYS 28 H LYS 28 5.365 -4.501 1.730
201 2HZ LYS 28 H LYS 28 4.862 -5.752 2.687
202 3HZ LYS 28 H LYS 28 4.517 -5.756 1.070
203 H HIS 29 H HIS 29 2.201 -2.948 -4.303
204 HA HIS 29 HA HIS 29 4.416 -4.631 -4.934
205 1HB HIS 29 HB2 HIS 29 2.264 -4.654 -6.145
206 2HB HIS 29 HB1 HIS 29 2.582 -3.017 -6.749
207 HD1 HIS 29 HD1 HIS 29 2.946 -3.390 -9.231
208 HD2 HIS 29 HD2 HIS 29 5.150 -6.058 -6.872
209 HE1 HIS 29 HE1 HIS 29 4.473 -4.712 -10.778
210 H LYS 30 H LYS 30 3.838 -1.106 -5.256
211 HA LYS 30 HA LYS 30 6.133 -0.549 -6.851
212 1HB LYS 30 H LYS 30 4.196 0.998 -6.449
213 2HB LYS 30 H LYS 30 4.794 1.250 -4.792
214 1HG LYS 30 H LYS 30 6.791 2.304 -5.552
215 2HG LYS 30 H LYS 30 6.585 1.683 -7.206
216 1HD LYS 30 H LYS 30 6.007 4.056 -7.162
217 2HD LYS 30 H LYS 30 4.536 3.098 -7.455
218 1HE LYS 30 H LYS 30 3.874 3.308 -5.114
219 2HE LYS 30 H LYS 30 5.410 4.109 -4.712
220 1HZ LYS 30 H LYS 30 4.775 5.903 -6.158
221 2HZ LYS 30 H LYS 30 3.349 5.160 -6.526
222 3HZ LYS 30 H LYS 30 3.637 5.677 -4.986
223 H HIS 31 H HIS 31 5.666 -0.980 -3.334
224 HA HIS 31 HA HIS 31 8.323 -0.092 -2.614
225 1HB HIS 31 HB2 HIS 31 6.168 -1.738 -1.274
226 2HB HIS 31 HB1 HIS 31 7.759 -1.536 -0.530
227 HD1 HIS 31 HD1 HIS 31 8.469 1.309 -0.721
228 HD2 HIS 31 HD2 HIS 31 4.486 0.126 -0.131
229 HE1 HIS 31 HE1 HIS 31 7.225 3.272 0.305
230 H GLU 32 H GLU 32 6.806 -3.367 -2.745
231 HA GLU 32 HA GLU 32 9.485 -4.595 -2.911
232 1HB GLU 32 H GLU 32 6.670 -5.755 -2.743
233 2HB GLU 32 H GLU 32 8.165 -6.719 -2.775
234 1HG GLU 32 H GLU 32 8.276 -6.491 -0.535
235 2HG GLU 32 H GLU 32 8.613 -4.765 -0.786
236 H MET 33 H MET 33 9.255 -3.046 -5.063
237 HA MET 33 HA MET 33 7.969 -4.316 -7.318
238 1HB MET 33 HB1 MET 33 8.604 -1.844 -7.021
239 2HB MET 33 HB2 MET 33 10.272 -2.326 -7.393
240 1HG MET 33 HG1 MET 33 9.296 -1.636 -9.458
241 2HG MET 33 HG2 MET 33 9.362 -3.403 -9.510
242 1HE MET 33 HE3 MET 33 7.686 -1.592 -11.485
243 2HE MET 33 HE2 MET 33 7.700 -3.369 -11.581
244 3HE MET 33 HE1 MET 33 6.153 -2.491 -11.582
245 H THR 34 H THR 34 8.734 -6.522 -7.014
246 HA THR 34 HA THR 34 11.382 -7.383 -6.931
247 HB THR 34 HB THR 34 9.353 -8.798 -6.635
248 HG1 THR 34 HG1 THR 34 11.283 -9.572 -8.565
249 1HG2 THR 34 HG23 THR 34 8.106 -7.885 -8.632
250 2HG2 THR 34 HG21 THR 34 9.224 -8.785 -9.685
251 3HG2 THR 34 HG22 THR 34 8.154 -9.662 -8.569
252 H LEU 35 H LEU 35 9.581 -6.092 -9.698
253 HA LEU 35 HA LEU 35 11.112 -7.091 -11.822
254 1HB LEU 35 HB2 LEU 35 8.975 -5.725 -11.909
255 2HB LEU 35 HB1 LEU 35 9.940 -4.284 -11.550
256 HG LEU 35 HG LEU 35 9.349 -4.787 -14.026
257 1HD1 LEU 35 HD12 LEU 35 11.163 -3.193 -13.080
258 2HD1 LEU 35 HD11 LEU 35 12.322 -4.448 -13.565
259 3HD1 LEU 35 HD13 LEU 35 11.286 -3.684 -14.785
260 1HD2 LEU 35 HD23 LEU 35 10.044 -7.232 -13.833
261 2HD2 LEU 35 HD22 LEU 35 10.698 -6.350 -15.232
262 3HD2 LEU 35 HD21 LEU 35 11.732 -6.666 -13.823
263 H LYS 36 H LYS 36 11.642 -4.207 -9.734
264 HA LYS 36 HA LYS 36 14.526 -4.348 -10.362
265 1HB LYS 36 H LYS 36 13.556 -2.741 -11.987
266 2HB LYS 36 H LYS 36 12.818 -1.832 -10.651
267 1HG LYS 36 H LYS 36 14.902 -0.749 -11.404
268 2HG LYS 36 H LYS 36 15.077 -1.333 -9.739
269 1HD LYS 36 H LYS 36 15.863 -3.356 -11.745
270 2HD LYS 36 H LYS 36 16.819 -1.861 -11.859
271 1HE LYS 36 H LYS 36 17.275 -1.979 -9.413
272 2HE LYS 36 H LYS 36 16.376 -3.505 -9.328
273 1HZ LYS 36 H LYS 36 17.966 -4.416 -10.896
274 2HZ LYS 36 H LYS 36 18.829 -3.011 -10.854
275 3HZ LYS 36 H LYS 36 18.679 -3.928 -9.486
276 H PHE 37 H PHE 37 14.434 -5.297 -8.195
277 HA PHE 37 HA PHE 37 13.994 -3.279 -6.038
278 1HB PHE 37 HB2 PHE 37 12.658 -5.445 -6.046
279 2HB PHE 37 HB1 PHE 37 14.183 -6.303 -5.787
280 HD1 PHE 37 HD1 PHE 37 11.895 -3.722 -4.335
281 HD2 PHE 37 HD2 PHE 37 15.124 -6.480 -3.601
282 HE1 PHE 37 HE1 PHE 37 11.672 -3.337 -1.890
283 HE2 PHE 37 HE2 PHE 37 14.898 -6.091 -1.158
284 HZ PHE 37 HZ PHE 37 13.173 -4.521 -0.302
285 H GLY 38 H GLY 38 16.094 -2.322 -6.594
286 1HA GLY 38 HA2 GLY 38 18.233 -2.009 -5.644
287 2HA GLY 38 HA1 GLY 38 18.299 -3.731 -5.208
No H/Q in entry = 287
Start of MODEL 20
1 1H MET 1 H1 MET 1 -10.276 -2.005 6.519
2 2H MET 1 H3 MET 1 -9.642 -1.752 8.025
3 3H MET 1 H2 MET 1 -9.103 -3.008 7.097
4 HA MET 1 HA MET 1 -11.041 -4.218 7.297
5 1HB MET 1 HB2 MET 1 -10.580 -2.922 10.013
6 2HB MET 1 HB1 MET 1 -11.260 -4.532 9.693
7 1HG MET 1 HG1 MET 1 -9.104 -5.173 8.594
8 2HG MET 1 HG2 MET 1 -8.432 -3.601 9.061
9 1HE MET 1 HE1 MET 1 -6.392 -4.692 10.194
10 2HE MET 1 HE3 MET 1 -6.485 -6.004 11.393
11 3HE MET 1 HE2 MET 1 -6.990 -6.297 9.712
12 H SER 2 H SER 2 -13.069 -3.910 9.294
13 HA SER 2 HA SER 2 -14.950 -2.328 7.795
14 1HB SER 2 HB1 SER 2 -15.489 -4.414 9.094
15 2HB SER 2 HB2 SER 2 -15.245 -3.494 10.596
16 HG SER 2 HG SER 2 -16.854 -1.999 9.720
17 H ASP 3 H ASP 3 -14.451 -0.174 7.730
18 HA ASP 3 HA ASP 3 -14.406 2.001 8.391
19 1HB ASP 3 H ASP 3 -15.511 1.007 11.049
20 2HB ASP 3 H ASP 3 -15.550 2.668 10.433
21 H ASP 4 H ASP 4 -13.686 0.503 11.592
22 HA ASP 4 HA ASP 4 -11.434 2.235 12.005
23 1HB ASP 4 H ASP 4 -12.919 1.157 13.772
24 2HB ASP 4 H ASP 4 -12.092 -0.377 13.430
25 H LYS 5 H LYS 5 -9.203 1.329 12.503
26 HA LYS 5 HA LYS 5 -7.263 0.481 11.607
27 1HB LYS 5 H LYS 5 -9.117 -1.911 11.628
28 2HB LYS 5 H LYS 5 -7.491 -2.051 10.929
29 1HG LYS 5 H LYS 5 -7.323 -2.703 13.238
30 2HG LYS 5 H LYS 5 -6.562 -1.103 13.093
31 1HD LYS 5 H LYS 5 -8.493 -0.011 14.028
32 2HD LYS 5 H LYS 5 -9.473 -1.491 13.907
33 1HE LYS 5 H LYS 5 -7.810 -2.577 15.509
34 2HE LYS 5 H LYS 5 -7.099 -0.964 15.741
35 1HZ LYS 5 H LYS 5 -9.443 -0.275 16.299
36 2HZ LYS 5 H LYS 5 -9.783 -1.884 16.444
37 3HZ LYS 5 H LYS 5 -8.642 -1.198 17.416
38 HA PRO 6 HA PRO 6 -8.817 1.334 7.315
39 1HB PRO 6 HB1 PRO 6 -6.741 3.285 6.974
40 2HB PRO 6 HB2 PRO 6 -8.492 3.575 7.158
41 1HG PRO 6 HG2 PRO 6 -6.361 4.057 9.085
42 2HG PRO 6 HG1 PRO 6 -8.099 4.443 9.228
43 1HD PRO 6 HD1 PRO 6 -6.626 2.326 10.534
44 2HD PRO 6 HD2 PRO 6 -8.366 2.709 10.673
45 H PHE 7 H PHE 7 -7.315 1.493 5.235
46 HA PHE 7 HA PHE 7 -5.563 -0.831 5.368
47 1HB PHE 7 HB2 PHE 7 -6.253 1.062 3.087
48 2HB PHE 7 HB1 PHE 7 -5.384 -0.470 2.930
49 HD1 PHE 7 HD2 PHE 7 -8.674 1.103 3.544
50 HD2 PHE 7 HD1 PHE 7 -6.543 -2.618 3.130
51 HE1 PHE 7 HE2 PHE 7 -10.829 -0.104 3.300
52 HE2 PHE 7 HE1 PHE 7 -8.703 -3.823 2.886
53 HZ PHE 7 HZ PHE 7 -10.845 -2.566 2.969
54 H LEU 8 H LEU 8 -3.964 0.034 6.858
55 HA LEU 8 HA LEU 8 -2.286 2.257 5.897
56 1HB LEU 8 HB2 LEU 8 -3.059 1.527 8.383
57 2HB LEU 8 HB1 LEU 8 -1.548 0.596 8.285
58 HG LEU 8 HG LEU 8 -1.800 3.591 7.719
59 1HD1 LEU 8 HD13 LEU 8 -2.206 3.026 10.100
60 2HD1 LEU 8 HD11 LEU 8 -0.680 2.110 10.141
61 3HD1 LEU 8 HD12 LEU 8 -0.654 3.872 9.890
62 1HD2 LEU 8 HD23 LEU 8 0.539 1.646 7.827
63 2HD2 LEU 8 HD21 LEU 8 0.085 2.754 6.511
64 3HD2 LEU 8 HD22 LEU 8 0.756 3.401 8.023
65 H CYS 9 H CYS 9 -0.631 1.898 4.526
66 HA CYS 9 HA CYS 9 0.178 -0.728 3.732
67 1HB CYS 9 HB2 CYS 9 0.388 1.087 2.184
68 2HB CYS 9 HB1 CYS 9 1.361 2.040 3.324
69 H THR 10 H THR 10 1.233 -2.118 5.030
70 HA THR 10 HA THR 10 3.027 -1.195 7.134
71 HB THR 10 HB THR 10 3.378 -3.754 7.316
72 HG1 THR 10 HG1 THR 10 1.744 -4.933 6.210
73 1HG2 THR 10 HG22 THR 10 1.825 -2.460 8.752
74 2HG2 THR 10 HG21 THR 10 0.556 -2.603 7.511
75 3HG2 THR 10 HG23 THR 10 1.149 -4.057 8.350
76 H ALA 11 H ALA 11 4.508 0.031 5.687
77 HA ALA 11 HA ALA 11 6.481 -1.785 4.361
78 1HB ALA 11 HB1 ALA 11 5.362 0.909 3.523
79 2HB ALA 11 HB2 ALA 11 6.925 0.325 2.919
80 3HB ALA 11 HB3 ALA 11 5.445 -0.599 2.586
81 HA PRO 12 HA PRO 12 9.461 -0.053 7.087
82 1HB PRO 12 HB2 PRO 12 11.650 0.233 5.331
83 2HB PRO 12 HB1 PRO 12 11.215 -1.247 6.232
84 1HG PRO 12 HG2 PRO 12 10.808 -0.591 3.355
85 2HG PRO 12 HG1 PRO 12 10.929 -2.190 4.148
86 1HD PRO 12 HD2 PRO 12 8.562 -0.986 3.241
87 2HD PRO 12 HD1 PRO 12 8.653 -2.320 4.427
88 H GLY 13 H GLY 13 9.093 2.024 7.740
89 1HA GLY 13 HA1 GLY 13 9.439 4.314 7.796
90 2HA GLY 13 HA2 GLY 13 10.241 4.224 6.213
91 H CYS 14 H CYS 14 8.312 3.132 4.558
92 HA CYS 14 HA CYS 14 6.524 5.412 4.242
93 1HB CYS 14 HB2 CYS 14 7.584 4.290 2.312
94 2HB CYS 14 HB1 CYS 14 6.719 2.788 2.713
95 H GLY 15 H GLY 15 4.359 5.536 4.736
96 1HA GLY 15 HA1 GLY 15 2.892 3.092 5.448
97 2HA GLY 15 HA2 GLY 15 3.141 4.270 6.750
98 H GLN 16 H GLN 16 2.267 4.433 3.226
99 HA GLN 16 HA GLN 16 0.445 6.632 3.704
100 1HB GLN 16 HB2 GLN 16 0.946 4.814 1.314
101 2HB GLN 16 HB1 GLN 16 -0.215 6.163 1.303
102 1HG GLN 16 HG1 GLN 16 1.664 7.694 2.015
103 2HG GLN 16 HG2 GLN 16 2.788 6.336 1.803
104 HE2 GLN 16 HE22 GLN 16 2.893 8.321 -1.339
105 HE2 GLN 16 HE21 GLN 16 3.300 8.570 0.345
106 H ARG 17 H ARG 17 -1.848 6.576 3.499
107 HA ARG 17 HA ARG 17 -3.049 3.921 4.163
108 1HB ARG 17 H ARG 17 -2.920 5.523 6.069
109 2HB ARG 17 H ARG 17 -3.876 6.686 5.129
110 1HG ARG 17 H ARG 17 -5.043 3.949 5.317
111 2HG ARG 17 H ARG 17 -4.938 4.824 6.859
112 1HD ARG 17 H ARG 17 -6.127 6.056 4.340
113 2HD ARG 17 H ARG 17 -7.095 5.172 5.536
114 HE ARG 17 H ARG 17 -5.548 7.154 6.880
115 1HH1 ARG 17 H ARG 17 -8.269 6.844 4.635
116 2HH1 ARG 17 H ARG 17 -9.046 8.319 5.157
117 1HH2 ARG 17 H ARG 17 -6.582 9.101 7.570
118 2HH2 ARG 17 H ARG 17 -8.077 9.614 6.824
119 H PHE 18 H PHE 18 -5.065 3.461 3.294
120 HA PHE 18 HA PHE 18 -6.188 5.384 1.329
121 1HB PHE 18 HB2 PHE 18 -5.651 2.464 0.680
122 2HB PHE 18 HB1 PHE 18 -6.244 3.725 -0.415
123 HD1 PHE 18 HD2 PHE 18 -3.281 2.480 1.448
124 HD2 PHE 18 HD1 PHE 18 -4.719 5.292 -1.472
125 HE1 PHE 18 HE2 PHE 18 -0.943 3.009 0.814
126 HE2 PHE 18 HE1 PHE 18 -2.374 5.824 -2.106
127 HZ PHE 18 HZ PHE 18 -0.489 4.681 -0.957
128 H THR 19 H THR 19 -8.363 4.485 0.510
129 HA THR 19 HA THR 19 -9.816 3.389 2.860
130 HB THR 19 HB THR 19 -10.511 5.591 1.883
131 HG1 THR 19 HG1 THR 19 -12.313 3.407 1.649
132 1HG2 THR 19 HG22 THR 19 -9.968 5.018 -0.507
133 2HG2 THR 19 HG21 THR 19 -11.358 3.909 -0.521
134 3HG2 THR 19 HG23 THR 19 -11.614 5.654 -0.296
135 H ASN 20 H ASN 20 -8.170 1.950 0.580
136 HA ASN 20 HA ASN 20 -9.958 -0.322 0.381
137 1HB ASN 20 HB2 ASN 20 -9.646 -0.244 -2.243
138 2HB ASN 20 HB1 ASN 20 -10.990 0.624 -1.475
139 1HD2 ASN 20 HD21 ASN 20 -7.723 2.925 -2.648
140 2HD2 ASN 20 HD22 ASN 20 -7.467 1.406 -1.817
141 H GLU 21 H GLU 21 -8.867 -2.200 -0.332
142 HA GLU 21 HA GLU 21 -6.015 -2.150 0.120
143 1HB GLU 21 H GLU 21 -6.168 -4.574 -0.262
144 2HB GLU 21 H GLU 21 -7.452 -4.025 0.836
145 1HG GLU 21 H GLU 21 -9.003 -3.914 -1.174
146 2HG GLU 21 H GLU 21 -7.717 -4.681 -2.128
147 H ASP 22 H ASP 22 -8.025 -1.680 -2.669
148 HA ASP 22 HA ASP 22 -6.431 -2.786 -4.723
149 1HB ASP 22 H ASP 22 -8.704 -1.963 -5.084
150 2HB ASP 22 H ASP 22 -8.202 -0.306 -4.685
151 H HIS 23 H HIS 23 -6.468 0.613 -3.470
152 HA HIS 23 HA HIS 23 -4.191 1.420 -5.000
153 1HB HIS 23 HB2 HIS 23 -5.522 2.523 -2.505
154 2HB HIS 23 HB1 HIS 23 -4.127 3.299 -3.272
155 HD1 HIS 23 HD1 HIS 23 -4.986 5.316 -4.477
156 HD2 HIS 23 HD2 HIS 23 -7.466 1.990 -5.037
157 HE1 HIS 23 HE1 HIS 23 -6.819 5.984 -6.109
158 H LEU 24 H LEU 24 -4.642 -0.072 -1.814
159 HA LEU 24 HA LEU 24 -1.990 0.330 -0.844
160 1HB LEU 24 HB2 LEU 24 -4.158 -0.464 0.365
161 2HB LEU 24 HB1 LEU 24 -3.711 -2.078 -0.226
162 HG LEU 24 HG LEU 24 -1.308 -1.389 0.796
163 1HD1 LEU 24 HD12 LEU 24 -3.355 0.354 2.198
164 2HD1 LEU 24 HD11 LEU 24 -1.857 -0.157 2.993
165 3HD1 LEU 24 HD13 LEU 24 -1.784 0.821 1.515
166 1HD2 LEU 24 HD22 LEU 24 -3.707 -2.264 2.479
167 2HD2 LEU 24 HD23 LEU 24 -2.694 -3.336 1.481
168 3HD2 LEU 24 HD21 LEU 24 -1.995 -2.516 2.898
169 H ALA 25 H ALA 25 -3.476 -2.082 -3.013
170 HA ALA 25 HA ALA 25 -1.360 -3.996 -2.922
171 1HB ALA 25 HB2 ALA 25 -3.656 -4.455 -3.752
172 2HB ALA 25 HB1 ALA 25 -3.350 -3.398 -5.150
173 3HB ALA 25 HB3 ALA 25 -2.412 -4.895 -4.946
174 H VAL 26 H VAL 26 -2.149 -1.516 -5.461
175 HA VAL 26 HA VAL 26 0.223 -1.964 -6.957
176 HB VAL 26 HB VAL 26 -0.255 0.249 -7.984
177 1HG1 VAL 26 HG12 VAL 26 -1.485 -1.819 -8.666
178 2HG1 VAL 26 HG13 VAL 26 -2.764 -1.418 -7.495
179 3HG1 VAL 26 HG11 VAL 26 -2.456 -0.344 -8.880
180 1HG2 VAL 26 HG22 VAL 26 -2.396 0.421 -5.819
181 2HG2 VAL 26 HG21 VAL 26 -0.989 1.494 -5.992
182 3HG2 VAL 26 HG23 VAL 26 -2.274 1.505 -7.219
183 H HIS 27 H HIS 27 -0.475 0.198 -4.197
184 HA HIS 27 HA HIS 27 1.997 1.628 -4.278
185 1HB HIS 27 HB2 HIS 27 0.007 2.402 -3.084
186 2HB HIS 27 HB1 HIS 27 0.076 0.990 -2.015
187 HD1 HIS 27 HD1 HIS 27 2.347 3.973 -2.944
188 HD2 HIS 27 HD2 HIS 27 1.407 1.478 0.262
189 HE1 HIS 27 HE1 HIS 27 3.634 4.815 -0.916
190 H LYS 28 H LYS 28 0.920 -1.345 -2.541
191 HA LYS 28 HA LYS 28 3.353 -1.770 -1.125
192 1HB LYS 28 H LYS 28 0.987 -3.451 -1.918
193 2HB LYS 28 H LYS 28 2.450 -4.281 -1.357
194 1HG LYS 28 H LYS 28 1.196 -1.988 0.202
195 2HG LYS 28 H LYS 28 0.712 -3.684 0.441
196 1HD LYS 28 H LYS 28 3.204 -4.208 0.798
197 2HD LYS 28 H LYS 28 3.465 -2.452 0.874
198 1HE LYS 28 H LYS 28 3.125 -2.853 3.112
199 2HE LYS 28 H LYS 28 1.438 -2.599 2.623
200 1HZ LYS 28 H LYS 28 2.762 -5.215 2.822
201 2HZ LYS 28 H LYS 28 1.759 -4.571 3.966
202 3HZ LYS 28 H LYS 28 1.173 -4.948 2.467
203 H HIS 29 H HIS 29 2.230 -2.790 -4.380
204 HA HIS 29 HA HIS 29 4.375 -4.540 -4.957
205 1HB HIS 29 HB2 HIS 29 2.278 -4.351 -6.271
206 2HB HIS 29 HB1 HIS 29 2.797 -2.760 -6.853
207 HD1 HIS 29 HD1 HIS 29 5.401 -5.485 -6.567
208 HD2 HIS 29 HD2 HIS 29 2.949 -3.798 -9.517
209 HE1 HIS 29 HE1 HIS 29 6.240 -6.296 -8.827
210 H LYS 30 H LYS 30 4.062 -0.970 -5.345
211 HA LYS 30 HA LYS 30 6.480 -0.574 -6.774
212 1HB LYS 30 H LYS 30 4.810 1.156 -4.938
213 2HB LYS 30 H LYS 30 6.346 1.750 -5.611
214 1HG LYS 30 H LYS 30 5.541 1.212 -7.899
215 2HG LYS 30 H LYS 30 3.991 0.666 -7.222
216 1HD LYS 30 H LYS 30 3.489 2.884 -6.387
217 2HD LYS 30 H LYS 30 5.120 3.467 -6.794
218 1HE LYS 30 H LYS 30 3.169 2.380 -8.867
219 2HE LYS 30 H LYS 30 3.280 4.103 -8.449
220 1HZ LYS 30 H LYS 30 5.520 2.468 -9.439
221 2HZ LYS 30 H LYS 30 4.619 3.495 -10.363
222 3HZ LYS 30 H LYS 30 5.544 4.091 -9.133
223 H HIS 31 H HIS 31 5.860 -1.162 -3.319
224 HA HIS 31 HA HIS 31 8.601 -0.502 -2.538
225 1HB HIS 31 HB2 HIS 31 6.369 -1.995 -1.108
226 2HB HIS 31 HB1 HIS 31 7.906 -1.514 -0.374
227 HD1 HIS 31 HD1 HIS 31 8.245 1.363 -1.271
228 HD2 HIS 31 HD2 HIS 31 4.544 -0.194 -0.060
229 HE1 HIS 31 HE1 HIS 31 6.790 3.310 -0.534
230 H GLU 32 H GLU 32 6.634 -3.515 -2.726
231 HA GLU 32 HA GLU 32 9.066 -5.165 -2.716
232 1HB GLU 32 H GLU 32 6.822 -5.634 -1.489
233 2HB GLU 32 H GLU 32 6.198 -6.101 -3.088
234 1HG GLU 32 H GLU 32 8.049 -7.754 -3.308
235 2HG GLU 32 H GLU 32 8.643 -7.289 -1.700
236 H MET 33 H MET 33 9.347 -3.594 -4.836
237 HA MET 33 HA MET 33 8.041 -4.671 -7.215
238 1HB MET 33 HB2 MET 33 8.980 -2.233 -6.658
239 2HB MET 33 HB1 MET 33 10.485 -2.912 -7.317
240 1HG MET 33 HG2 MET 33 9.324 -1.911 -9.152
241 2HG MET 33 HG1 MET 33 9.139 -3.662 -9.335
242 1HE MET 33 HE3 MET 33 7.463 -1.559 -10.938
243 2HE MET 33 HE2 MET 33 7.192 -3.310 -11.098
244 3HE MET 33 HE1 MET 33 5.814 -2.219 -10.826
245 H THR 34 H THR 34 8.989 -5.946 -8.824
246 HA THR 34 HA THR 34 11.140 -7.701 -7.906
247 HB THR 34 HB THR 34 10.668 -8.791 -10.173
248 HG1 THR 34 HG1 THR 34 8.332 -7.254 -10.240
249 1HG2 THR 34 HG22 THR 34 8.319 -8.342 -8.273
250 2HG2 THR 34 HG21 THR 34 8.478 -9.682 -9.435
251 3HG2 THR 34 HG23 THR 34 9.609 -9.552 -8.067
252 H LEU 35 H LEU 35 12.236 -5.220 -7.980
253 HA LEU 35 HA LEU 35 13.904 -3.935 -8.870
254 1HB LEU 35 HB2 LEU 35 14.878 -6.380 -8.707
255 2HB LEU 35 HB1 LEU 35 14.811 -6.328 -10.482
256 HG LEU 35 HG LEU 35 16.032 -4.002 -10.191
257 1HD1 LEU 35 HD12 LEU 35 16.722 -5.421 -7.576
258 2HD1 LEU 35 HD11 LEU 35 17.499 -3.944 -8.193
259 3HD1 LEU 35 HD13 LEU 35 15.785 -3.916 -7.722
260 1HD2 LEU 35 HD23 LEU 35 17.421 -6.665 -9.653
261 2HD2 LEU 35 HD22 LEU 35 17.033 -5.990 -11.254
262 3HD2 LEU 35 HD21 LEU 35 18.224 -5.178 -10.212
263 H LYS 36 H LYS 36 11.348 -3.961 -10.309
264 HA LYS 36 HA LYS 36 12.150 -3.751 -13.151
265 1HB LYS 36 H LYS 36 10.085 -4.985 -12.544
266 2HB LYS 36 H LYS 36 9.424 -3.509 -11.807
267 1HG LYS 36 H LYS 36 10.431 -3.192 -14.595
268 2HG LYS 36 H LYS 36 9.015 -4.251 -14.424
269 1HD LYS 36 H LYS 36 7.650 -2.543 -13.605
270 2HD LYS 36 H LYS 36 9.017 -1.588 -12.995
271 1HE LYS 36 H LYS 36 8.633 -2.077 -15.965
272 2HE LYS 36 H LYS 36 7.804 -0.744 -15.133
273 1HZ LYS 36 H LYS 36 10.715 -1.149 -15.065
274 2HZ LYS 36 H LYS 36 9.946 -0.151 -16.133
275 3HZ LYS 36 H LYS 36 9.873 0.160 -14.512
276 H PHE 37 H PHE 37 11.004 -1.800 -10.391
277 HA PHE 37 HA PHE 37 10.922 0.447 -10.023
278 1HB PHE 37 HB1 PHE 37 13.333 0.220 -10.746
279 2HB PHE 37 HB2 PHE 37 12.833 0.705 -12.374
280 HD1 PHE 37 HD1 PHE 37 12.973 1.825 -8.811
281 HD2 PHE 37 HD2 PHE 37 12.489 3.000 -12.928
282 HE1 PHE 37 HE1 PHE 37 13.165 4.212 -8.153
283 HE2 PHE 37 HE2 PHE 37 12.681 5.388 -12.267
284 HZ PHE 37 HZ PHE 37 13.018 5.994 -9.880
285 H GLY 38 H GLY 38 8.715 0.641 -10.566
286 1HA GLY 38 HA1 GLY 38 8.146 2.444 -12.729
287 2HA GLY 38 HA2 GLY 38 7.581 0.799 -13.103
No H/Q in entry = 287
40 atoms in file of submitted coords
HETATM11961 H H 1 3.354 0.696 3.551 1.00 1.84
HETATM11962 H H 2 5.144 4.404 0.526 1.00 0.99
HETATM11963 H H 3 3.126 1.104 1.684 1.00 0.58
HETATM11964 H H 4 5.430 5.973 1.996 1.00 2.34
HETATM11965 H H 5 3.023 1.533 0.893 1.00 1.31
HETATM11966 H H 6 4.808 5.023 -0.279 1.00 2.05
HETATM11967 H H 7 3.004 0.528 1.671 1.00 0.09
HETATM11968 H H 8 4.359 3.005 3.730 1.00 2.75
HETATM11969 H H 9 3.401 0.352 3.647 1.00 1.94
HETATM11970 H H 10 4.900 3.781 1.334 1.00 0.41
HETATM11971 H H 11 3.464 0.626 2.973 1.00 1.30
HETATM11972 H H 12 4.308 4.759 0.917 1.00 1.45
HETATM11973 H H 13 1.979 -1.434 2.534 1.00 2.37
HETATM11974 H H 14 4.283 3.480 3.061 1.00 2.09
HETATM11975 H H 15 3.106 1.195 1.421 1.00 0.74
HETATM11976 H H 16 5.994 6.717 0.962 1.00 3.05
HETATM11977 H H 17 3.492 0.408 3.168 1.00 1.50
HETATM11978 H H 18 4.896 4.037 1.010 1.00 0.55
HETATM11979 H H 19 2.700 0.381 1.192 1.00 0.67
HETATM11980 H H 20 3.962 4.553 2.836 1.00 2.22
HETATM11981 H H 21 2.041 -1.409 2.509 1.00 2.32
HETATM11982 H H 22 5.193 5.357 2.303 1.00 1.91
HETATM11983 H H 23 3.557 1.215 3.658 1.00 2.10
HETATM11984 H H 24 5.938 6.376 0.980 1.00 2.71
HETATM11985 H H 25 3.622 0.077 3.113 1.00 1.55
HETATM11986 H H 26 5.736 6.901 0.848 1.00 3.20
HETATM11987 H H 27 2.872 1.737 1.965 1.00 1.24
HETATM11988 H H 28 5.116 4.128 0.826 1.00 0.60
HETATM11989 H H 29 2.344 -1.284 2.521 1.00 2.10
HETATM11990 H H 30 5.303 5.806 2.261 1.00 2.28
HETATM11991 H H 31 3.000 0.415 1.682 1.00 0.14
HETATM11992 H H 32 5.393 3.560 1.466 1.00 0.30
HETATM11993 H H 33 2.156 -1.296 2.432 1.00 2.15
HETATM11994 H H 34 4.817 6.359 1.441 1.00 2.65
HETATM11995 H H 35 1.689 -1.265 2.237 1.00 2.31
HETATM11996 H H 36 5.469 5.636 2.257 1.00 2.13
HETATM11997 H H 37 3.350 0.152 3.809 1.00 2.12
HETATM11998 H H 38 4.185 5.156 2.274 1.00 2.06
HETATM11999 H H 39 3.360 0.415 3.456 1.00 1.74
HETATM12000 H H 40 5.430 5.767 2.111 1.00 2.19