Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
|
|
1964 | 1ba4 RC | cing | recoord | dress | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ASP 1 1H ASP 1 0.330 -6.074 -9.623
2 2H ASP 1 3H ASP 1 1.680 -5.696 -8.668
3 3H ASP 1 2H ASP 1 1.396 -4.845 -10.111
4 HA ASP 1 HA ASP 1 2.584 -6.283 -11.248
5 1HB ASP 1 2HB ASP 1 3.930 -7.950 -10.025
6 2HB ASP 1 1HB ASP 1 3.808 -6.514 -9.029
7 H ALA 2 H ALA 2 2.847 -8.934 -11.476
8 HA ALA 2 HA ALA 2 0.171 -9.788 -12.359
9 1HB ALA 2 2HB ALA 2 2.989 -10.827 -12.742
10 2HB ALA 2 1HB ALA 2 1.647 -11.925 -12.987
11 3HB ALA 2 3HB ALA 2 1.771 -10.474 -13.962
12 H GLU 3 H GLU 3 -1.041 -10.392 -10.670
13 HA GLU 3 HA GLU 3 -0.071 -11.636 -8.278
14 1HB GLU 3 2HB GLU 3 -2.779 -11.224 -9.572
15 2HB GLU 3 1HB GLU 3 -2.677 -12.337 -8.224
16 1HG GLU 3 2HG GLU 3 -3.225 -10.065 -7.412
17 2HG GLU 3 1HG GLU 3 -1.654 -10.553 -6.809
18 H PHE 4 H PHE 4 -0.714 -12.770 -11.387
19 HA PHE 4 HA PHE 4 0.471 -15.296 -11.165
20 1HB PHE 4 2HB PHE 4 -1.512 -16.033 -9.829
21 2HB PHE 4 1HB PHE 4 -2.603 -15.374 -11.040
22 HD1 PHE 4 HD1 PHE 4 -0.022 -17.958 -10.413
23 HD2 PHE 4 HD2 PHE 4 -3.069 -16.611 -13.065
24 HE1 PHE 4 HE1 PHE 4 0.108 -20.081 -11.645
25 HE2 PHE 4 HE2 PHE 4 -2.935 -18.731 -14.297
26 HZ PHE 4 HZ PHE 4 -1.346 -20.469 -13.589
27 H ARG 5 H ARG 5 1.309 -14.938 -13.152
28 HA ARG 5 HA ARG 5 1.454 -14.380 -15.430
29 1HB ARG 5 2HB ARG 5 0.602 -16.776 -15.271
30 2HB ARG 5 1HB ARG 5 -1.020 -16.171 -15.504
31 1HG ARG 5 2HG ARG 5 0.685 -15.060 -17.598
32 2HG ARG 5 1HG ARG 5 0.978 -16.784 -17.496
33 1HD ARG 5 2HD ARG 5 -1.316 -17.324 -17.921
34 2HD ARG 5 1HD ARG 5 -1.854 -15.669 -17.642
35 HE ARG 5 HE ARG 5 0.041 -15.630 -19.753
36 1HH1 ARG 5 2HH1 ARG 5 -3.139 -16.791 -19.024
37 2HH1 ARG 5 1HH1 ARG 5 -3.679 -16.686 -20.666
38 1HH2 ARG 5 1HH2 ARG 5 -0.620 -15.484 -21.840
39 2HH2 ARG 5 2HH2 ARG 5 -2.230 -15.937 -22.288
40 H HIS 6 H HIS 6 0.611 -12.211 -14.541
41 HA HIS 6 HA HIS 6 -0.748 -10.324 -14.672
42 1HB HIS 6 2HB HIS 6 -0.987 -9.609 -17.087
43 2HB HIS 6 1HB HIS 6 0.599 -10.264 -16.740
44 HD1 HIS 6 HD1 HIS 6 -2.632 -11.469 -18.234
45 HD2 HIS 6 HD2 HIS 6 1.349 -12.360 -18.370
46 HE1 HIS 6 HE1 HIS 6 -2.368 -13.205 -19.964
47 H ASP 7 H ASP 7 -2.366 -12.566 -13.993
48 HA ASP 7 HA ASP 7 -4.752 -12.823 -15.448
49 1HB ASP 7 2HB ASP 7 -5.669 -13.744 -13.380
50 2HB ASP 7 1HB ASP 7 -4.035 -14.321 -13.570
51 H SER 8 H SER 8 -6.837 -12.041 -15.048
52 HA SER 8 HA SER 8 -6.983 -9.185 -14.651
53 1HB SER 8 2HB SER 8 -9.499 -9.613 -14.994
54 2HB SER 8 1HB SER 8 -8.495 -10.308 -16.277
55 HG SER 8 HG SER 8 -9.152 -12.184 -15.656
56 H GLY 9 H GLY 9 -8.343 -8.136 -13.020
57 1HA GLY 9 2HA GLY 9 -9.679 -9.042 -10.863
58 2HA GLY 9 1HA GLY 9 -8.022 -9.398 -10.374
59 H TYR 10 H TYR 10 -10.246 -6.883 -11.256
60 HA TYR 10 HA TYR 10 -8.656 -4.573 -10.985
61 1HB TYR 10 2HB TYR 10 -10.691 -3.407 -11.063
62 2HB TYR 10 1HB TYR 10 -11.266 -4.971 -11.609
63 HD1 TYR 10 HD2 TYR 10 -12.045 -6.629 -9.676
64 HD2 TYR 10 HD1 TYR 10 -11.747 -2.405 -9.216
65 HE1 TYR 10 HE2 TYR 10 -13.560 -6.729 -7.755
66 HE2 TYR 10 HE1 TYR 10 -13.261 -2.508 -7.297
67 HH TYR 10 HH TYR 10 -13.822 -4.717 -5.519
68 H GLU 11 H GLU 11 -9.868 -6.713 -8.642
69 HA GLU 11 HA GLU 11 -9.492 -7.043 -6.407
70 1HB GLU 11 2HB GLU 11 -7.147 -6.180 -7.122
71 2HB GLU 11 1HB GLU 11 -7.602 -4.638 -6.439
72 1HG GLU 11 2HG GLU 11 -8.253 -6.218 -4.322
73 2HG GLU 11 1HG GLU 11 -7.053 -7.256 -5.068
74 H VAL 12 H VAL 12 -9.079 -3.508 -6.365
75 HA VAL 12 HA VAL 12 -11.754 -3.180 -5.124
76 HB VAL 12 HB VAL 12 -10.757 -1.845 -3.281
77 1HG1 VAL 12 1HG1 VAL 12 -10.988 -4.376 -3.076
78 2HG1 VAL 12 3HG1 VAL 12 -9.276 -4.488 -3.451
79 3HG1 VAL 12 2HG1 VAL 12 -9.804 -3.642 -2.007
80 1HG2 VAL 12 3HG2 VAL 12 -8.250 -2.291 -4.898
81 2HG2 VAL 12 2HG2 VAL 12 -8.790 -0.864 -4.042
82 3HG2 VAL 12 1HG2 VAL 12 -8.099 -2.216 -3.157
83 H HIS 13 H HIS 13 -11.592 -0.606 -4.460
84 HA HIS 13 HA HIS 13 -12.048 0.769 -6.914
85 1HB HIS 13 2HB HIS 13 -12.388 1.276 -4.075
86 2HB HIS 13 1HB HIS 13 -11.634 2.690 -4.783
87 HD1 HIS 13 HD1 HIS 13 -14.853 1.316 -4.339
88 HD2 HIS 13 HD2 HIS 13 -13.119 3.495 -7.325
89 HE1 HIS 13 HE1 HIS 13 -16.701 2.278 -5.662
90 H HIS 14 H HIS 14 -9.717 1.875 -4.504
91 HA HIS 14 HA HIS 14 -7.704 2.231 -6.657
92 1HB HIS 14 2HB HIS 14 -7.589 4.427 -4.654
93 2HB HIS 14 1HB HIS 14 -7.563 4.533 -6.398
94 HD1 HIS 14 HD1 HIS 14 -9.842 4.974 -3.603
95 HD2 HIS 14 HD2 HIS 14 -10.182 4.608 -7.654
96 HE1 HIS 14 HE1 HIS 14 -12.117 5.735 -4.181
97 H GLN 15 H GLN 15 -8.348 1.002 -3.779
98 HA GLN 15 HA GLN 15 -5.858 1.425 -2.347
99 1HB GLN 15 2HB GLN 15 -8.264 -0.200 -1.970
100 2HB GLN 15 1HB GLN 15 -6.865 -1.231 -1.735
101 1HG GLN 15 2HG GLN 15 -6.993 1.490 -0.389
102 2HG GLN 15 1HG GLN 15 -7.823 0.109 0.306
103 1HE2 GLN 15 2HE2 GLN 15 -4.864 -0.899 1.877
104 2HE2 GLN 15 1HE2 GLN 15 -6.538 -0.636 1.977
105 H LYS 16 H LYS 16 -6.851 -0.469 -5.032
106 HA LYS 16 HA LYS 16 -4.832 -2.438 -5.111
107 1HB LYS 16 2HB LYS 16 -6.870 -2.473 -6.570
108 2HB LYS 16 1HB LYS 16 -6.341 -1.011 -7.368
109 1HG LYS 16 2HG LYS 16 -5.888 -3.092 -8.695
110 2HG LYS 16 1HG LYS 16 -4.439 -2.160 -8.374
111 1HD LYS 16 2HD LYS 16 -3.573 -3.720 -6.900
112 2HD LYS 16 1HD LYS 16 -5.151 -4.221 -6.338
113 1HE LYS 16 2HE LYS 16 -5.483 -5.323 -8.657
114 2HE LYS 16 1HE LYS 16 -3.755 -5.084 -8.888
115 1HZ LYS 16 3HZ LYS 16 -4.168 -6.197 -6.354
116 2HZ LYS 16 2HZ LYS 16 -5.054 -7.105 -7.480
117 3HZ LYS 16 1HZ LYS 16 -3.385 -6.879 -7.698
118 H LEU 17 H LEU 17 -4.986 0.872 -6.324
119 HA LEU 17 HA LEU 17 -2.393 0.860 -7.561
120 1HB LEU 17 2HB LEU 17 -3.058 2.966 -8.245
121 2HB LEU 17 1HB LEU 17 -4.601 2.525 -7.568
122 HG LEU 17 HG LEU 17 -3.865 3.550 -5.393
123 1HD1 LEU 17 2HD1 LEU 17 -1.368 3.909 -6.923
124 2HD1 LEU 17 1HD1 LEU 17 -1.965 5.475 -6.422
125 3HD1 LEU 17 3HD1 LEU 17 -1.647 4.239 -5.227
126 1HD2 LEU 17 2HD2 LEU 17 -5.402 4.654 -6.984
127 2HD2 LEU 17 1HD2 LEU 17 -4.394 5.845 -6.180
128 3HD2 LEU 17 3HD2 LEU 17 -4.037 5.360 -7.832
129 H VAL 18 H VAL 18 -3.615 1.846 -4.380
130 HA VAL 18 HA VAL 18 -1.261 2.878 -3.247
131 HB VAL 18 HB VAL 18 -3.659 1.367 -2.136
132 1HG1 VAL 18 2HG1 VAL 18 -1.273 2.371 -0.609
133 2HG1 VAL 18 1HG1 VAL 18 -2.877 2.363 0.124
134 3HG1 VAL 18 3HG1 VAL 18 -2.170 0.861 -0.438
135 1HG2 VAL 18 1HG2 VAL 18 -4.020 3.642 -3.047
136 2HG2 VAL 18 3HG2 VAL 18 -4.299 3.602 -1.317
137 3HG2 VAL 18 2HG2 VAL 18 -2.805 4.278 -1.949
138 H PHE 19 H PHE 19 -2.405 -0.480 -3.205
139 HA PHE 19 HA PHE 19 -0.149 -1.670 -1.968
140 1HB PHE 19 2HB PHE 19 -2.032 -2.861 -4.058
141 2HB PHE 19 1HB PHE 19 -0.951 -3.798 -3.040
142 HD1 PHE 19 HD1 PHE 19 -1.316 -2.401 -0.375
143 HD2 PHE 19 HD2 PHE 19 -4.164 -3.521 -3.343
144 HE1 PHE 19 HE1 PHE 19 -3.059 -2.518 1.332
145 HE2 PHE 19 HE2 PHE 19 -5.903 -3.636 -1.618
146 HZ PHE 19 HZ PHE 19 -5.355 -3.137 0.720
147 H PHE 20 H PHE 20 -0.862 -1.169 -5.385
148 HA PHE 20 HA PHE 20 1.399 -2.343 -6.539
149 1HB PHE 20 2HB PHE 20 0.022 -1.634 -8.248
150 2HB PHE 20 1HB PHE 20 -0.673 -0.358 -7.288
151 HD1 PHE 20 HD2 PHE 20 2.355 -1.221 -9.265
152 HD2 PHE 20 HD1 PHE 20 -0.089 1.931 -7.760
153 HE1 PHE 20 HE2 PHE 20 3.621 0.401 -10.583
154 HE2 PHE 20 HE1 PHE 20 1.172 3.542 -9.065
155 HZ PHE 20 HZ PHE 20 3.041 2.796 -10.493
156 H ALA 21 H ALA 21 0.992 1.006 -5.453
157 HA ALA 21 HA ALA 21 3.587 1.983 -5.937
158 1HB ALA 21 1HB ALA 21 1.489 3.251 -5.053
159 2HB ALA 21 3HB ALA 21 1.980 2.726 -3.451
160 3HB ALA 21 2HB ALA 21 3.037 3.758 -4.398
161 H GLU 22 H GLU 22 2.404 0.355 -3.038
162 HA GLU 22 HA GLU 22 4.843 0.437 -1.556
163 1HB GLU 22 2HB GLU 22 2.663 -1.711 -1.583
164 2HB GLU 22 1HB GLU 22 3.955 -1.670 -0.407
165 1HG GLU 22 2HG GLU 22 3.079 0.130 0.742
166 2HG GLU 22 1HG GLU 22 2.412 0.881 -0.696
167 H ASP 23 H ASP 23 3.615 -2.036 -3.727
168 HA ASP 23 HA ASP 23 5.676 -3.915 -3.708
169 1HB ASP 23 2HB ASP 23 3.397 -3.832 -5.080
170 2HB ASP 23 1HB ASP 23 4.358 -3.068 -6.311
171 H VAL 24 H VAL 24 5.282 -1.180 -5.788
172 HA VAL 24 HA VAL 24 7.649 -1.197 -7.268
173 HB VAL 24 HB VAL 24 5.898 1.102 -6.301
174 1HG1 VAL 24 1HG1 VAL 24 7.836 1.057 -8.597
175 2HG1 VAL 24 3HG1 VAL 24 6.596 2.281 -8.327
176 3HG1 VAL 24 2HG1 VAL 24 7.890 2.081 -7.156
177 1HG2 VAL 24 2HG2 VAL 24 5.118 -1.052 -7.816
178 2HG2 VAL 24 1HG2 VAL 24 4.396 0.544 -7.863
179 3HG2 VAL 24 3HG2 VAL 24 5.603 0.083 -9.059
180 H GLY 25 H GLY 25 6.946 0.583 -4.357
181 1HA GLY 25 2HA GLY 25 9.355 1.895 -3.847
182 2HA GLY 25 1HA GLY 25 8.278 1.326 -2.576
183 H SER 26 H SER 26 8.416 -1.258 -2.593
184 HA SER 26 HA SER 26 10.947 -1.876 -1.404
185 1HB SER 26 2HB SER 26 10.016 -4.326 -1.496
186 2HB SER 26 1HB SER 26 9.024 -3.147 -0.630
187 HG SER 26 HG SER 26 8.467 -4.503 -2.877
188 H ASN 27 H ASN 27 9.517 -2.974 -4.425
189 HA ASN 27 HA ASN 27 11.390 -4.626 -5.503
190 1HB ASN 27 2HB ASN 27 9.440 -2.634 -6.616
191 2HB ASN 27 1HB ASN 27 10.633 -3.248 -7.729
192 1HD2 ASN 27 2HD2 ASN 27 8.211 -6.081 -5.958
193 2HD2 ASN 27 1HD2 ASN 27 8.876 -4.838 -5.010
194 H LYS 28 H LYS 28 11.521 -1.133 -5.683
195 HA LYS 28 HA LYS 28 13.579 -0.547 -7.318
196 1HB LYS 28 2HB LYS 28 12.223 0.796 -5.433
197 2HB LYS 28 1HB LYS 28 13.740 0.645 -4.568
198 1HG LYS 28 2HG LYS 28 14.739 1.437 -6.929
199 2HG LYS 28 1HG LYS 28 13.105 2.043 -7.154
200 1HD LYS 28 2HD LYS 28 13.303 3.364 -5.046
201 2HD LYS 28 1HD LYS 28 14.918 2.728 -4.790
202 1HE LYS 28 2HE LYS 28 15.145 4.929 -5.807
203 2HE LYS 28 1HE LYS 28 15.597 3.744 -7.022
204 1HZ LYS 28 1HZ LYS 28 12.833 4.164 -7.170
205 2HZ LYS 28 3HZ LYS 28 13.601 5.678 -7.154
206 3HZ LYS 28 2HZ LYS 28 14.025 4.522 -8.324
207 H GLY 29 H GLY 29 14.065 -2.005 -4.109
208 1HA GLY 29 2HA GLY 29 16.909 -1.811 -4.031
209 2HA GLY 29 1HA GLY 29 15.948 -3.018 -3.169
210 H ALA 30 H ALA 30 14.862 -4.580 -4.898
211 HA ALA 30 HA ALA 30 16.939 -6.234 -5.927
212 1HB ALA 30 3HB ALA 30 14.636 -7.064 -5.409
213 2HB ALA 30 2HB ALA 30 13.995 -6.136 -6.755
214 3HB ALA 30 1HB ALA 30 15.084 -7.484 -7.054
215 H ILE 31 H ILE 31 14.905 -3.873 -7.487
216 HA ILE 31 HA ILE 31 15.608 -4.219 -10.175
217 HB ILE 31 HB ILE 31 14.712 -1.888 -8.441
218 1HG1 ILE 31 2HG1 ILE 31 13.366 -3.502 -10.637
219 2HG1 ILE 31 1HG1 ILE 31 13.165 -3.771 -8.927
220 1HG2 ILE 31 2HG2 ILE 31 16.026 -0.850 -10.272
221 2HG2 ILE 31 1HG2 ILE 31 15.031 -1.695 -11.457
222 3HG2 ILE 31 3HG2 ILE 31 14.327 -0.477 -10.401
223 1HD1 ILE 31 2HD1 ILE 31 12.341 -1.201 -10.344
224 2HD1 ILE 31 1HD1 ILE 31 11.265 -2.487 -9.844
225 3HD1 ILE 31 3HD1 ILE 31 12.127 -1.554 -8.636
226 H ILE 32 H ILE 32 17.123 -2.001 -7.819
227 HA ILE 32 HA ILE 32 19.214 -1.117 -9.490
228 HB ILE 32 HB ILE 32 19.222 -1.604 -6.465
229 1HG1 ILE 32 2HG1 ILE 32 18.851 1.065 -7.873
230 2HG1 ILE 32 1HG1 ILE 32 17.481 0.014 -7.665
231 1HG2 ILE 32 3HG2 ILE 32 21.101 0.045 -8.225
232 2HG2 ILE 32 2HG2 ILE 32 21.040 0.191 -6.477
233 3HG2 ILE 32 1HG2 ILE 32 21.538 -1.319 -7.209
234 1HD1 ILE 32 3HD1 ILE 32 18.008 -0.068 -5.170
235 2HD1 ILE 32 2HD1 ILE 32 19.196 1.194 -5.452
236 3HD1 ILE 32 1HD1 ILE 32 17.498 1.500 -5.768
237 H GLY 33 H GLY 33 19.115 -3.881 -7.313
238 1HA GLY 33 2HA GLY 33 21.718 -4.899 -7.721
239 2HA GLY 33 1HA GLY 33 20.319 -5.922 -7.373
240 H LEU 34 H LEU 34 18.778 -5.626 -9.559
241 HA LEU 34 HA LEU 34 19.936 -7.343 -11.486
242 1HB LEU 34 2HB LEU 34 17.554 -5.442 -11.684
243 2HB LEU 34 1HB LEU 34 17.930 -6.616 -12.923
244 HG LEU 34 HG LEU 34 17.657 -7.552 -10.043
245 1HD1 LEU 34 1HD1 LEU 34 15.394 -6.859 -11.951
246 2HD1 LEU 34 3HD1 LEU 34 15.196 -8.035 -10.663
247 3HD1 LEU 34 2HD1 LEU 34 15.585 -6.374 -10.274
248 1HD2 LEU 34 2HD2 LEU 34 18.501 -9.122 -11.793
249 2HD2 LEU 34 1HD2 LEU 34 16.954 -9.642 -11.154
250 3HD2 LEU 34 3HD2 LEU 34 17.035 -8.863 -12.726
251 H MET 35 H MET 35 19.413 -3.847 -11.642
252 HA MET 35 HA MET 35 20.438 -3.308 -14.199
253 1HB MET 35 2HB MET 35 20.624 -1.661 -11.633
254 2HB MET 35 1HB MET 35 21.086 -1.032 -13.199
255 1HG MET 35 2HG MET 35 18.931 -0.918 -13.968
256 2HG MET 35 1HG MET 35 18.391 -2.295 -13.054
257 1HE MET 35 3HE MET 35 19.613 1.319 -12.804
258 2HE MET 35 2HE MET 35 18.858 1.930 -11.332
259 3HE MET 35 1HE MET 35 20.179 0.769 -11.225
260 H VAL 36 H VAL 36 22.137 -3.409 -11.151
261 HA VAL 36 HA VAL 36 24.782 -2.943 -12.056
262 HB VAL 36 HB VAL 36 23.658 -4.476 -9.645
263 1HG1 VAL 36 2HG1 VAL 36 26.568 -3.868 -10.333
264 2HG1 VAL 36 1HG1 VAL 36 26.032 -4.209 -8.696
265 3HG1 VAL 36 3HG1 VAL 36 25.863 -5.428 -9.941
266 1HG2 VAL 36 1HG2 VAL 36 23.315 -1.976 -9.808
267 2HG2 VAL 36 3HG2 VAL 36 24.260 -2.466 -8.415
268 3HG2 VAL 36 2HG2 VAL 36 25.058 -1.778 -9.818
269 H GLY 37 H GLY 37 23.137 -6.007 -11.406
270 1HA GLY 37 2HA GLY 37 23.345 -7.695 -13.312
271 2HA GLY 37 1HA GLY 37 25.086 -7.481 -13.123
272 H GLY 38 H GLY 38 23.098 -9.752 -12.618
273 1HA GLY 38 2HA GLY 38 22.957 -10.359 -9.846
274 2HA GLY 38 1HA GLY 38 22.920 -11.557 -11.141
275 H VAL 39 H VAL 39 25.388 -11.148 -12.261
276 HA VAL 39 HA VAL 39 27.186 -12.287 -10.216
277 HB VAL 39 HB VAL 39 27.776 -12.155 -13.210
278 1HG1 VAL 39 3HG1 VAL 39 29.549 -12.995 -11.624
279 2HG1 VAL 39 2HG1 VAL 39 28.440 -14.240 -11.077
280 3HG1 VAL 39 1HG1 VAL 39 29.017 -14.241 -12.735
281 1HG2 VAL 39 3HG2 VAL 39 25.926 -14.132 -11.808
282 2HG2 VAL 39 2HG2 VAL 39 25.541 -13.113 -13.184
283 3HG2 VAL 39 1HG2 VAL 39 26.658 -14.450 -13.372
284 H VAL 40 H VAL 40 26.557 -9.524 -10.259
285 HA VAL 40 HA VAL 40 29.275 -8.354 -10.590
286 HB VAL 40 HB VAL 40 26.684 -6.942 -11.407
287 1HG1 VAL 40 2HG1 VAL 40 29.614 -6.145 -11.716
288 2HG1 VAL 40 1HG1 VAL 40 28.252 -5.244 -12.363
289 3HG1 VAL 40 3HG1 VAL 40 28.457 -5.394 -10.629
290 1HG2 VAL 40 1HG2 VAL 40 28.853 -8.217 -13.134
291 2HG2 VAL 40 3HG2 VAL 40 27.164 -8.695 -13.056
292 3HG2 VAL 40 2HG2 VAL 40 27.604 -7.148 -13.751
No H/Q in entry = 292
Start of MODEL 2
1 1H ASP 1 3H ASP 1 17.905 5.427 -15.147
2 2H ASP 1 2H ASP 1 17.685 3.838 -14.594
3 3H ASP 1 1H ASP 1 18.073 4.125 -16.221
4 HA ASP 1 HA ASP 1 15.964 4.242 -16.754
5 1HB ASP 1 2HB ASP 1 15.475 2.628 -15.000
6 2HB ASP 1 1HB ASP 1 15.575 3.853 -13.747
7 H ALA 2 H ALA 2 14.802 5.908 -17.399
8 HA ALA 2 HA ALA 2 15.006 8.508 -15.971
9 1HB ALA 2 2HB ALA 2 14.259 7.654 -18.780
10 2HB ALA 2 1HB ALA 2 13.924 9.287 -18.216
11 3HB ALA 2 3HB ALA 2 15.578 8.694 -18.274
12 H GLU 3 H GLU 3 13.657 7.101 -14.478
13 HA GLU 3 HA GLU 3 11.686 6.678 -13.361
14 1HB GLU 3 2HB GLU 3 11.157 9.314 -14.793
15 2HB GLU 3 1HB GLU 3 9.917 8.630 -13.765
16 1HG GLU 3 2HG GLU 3 12.775 9.105 -12.816
17 2HG GLU 3 1HG GLU 3 11.474 10.257 -12.587
18 H PHE 4 H PHE 4 11.998 5.260 -15.699
19 HA PHE 4 HA PHE 4 9.194 4.903 -16.667
20 1HB PHE 4 2HB PHE 4 11.859 4.203 -18.000
21 2HB PHE 4 1HB PHE 4 10.294 3.826 -18.695
22 HD1 PHE 4 HD2 PHE 4 8.755 6.349 -18.092
23 HD2 PHE 4 HD1 PHE 4 12.765 5.807 -19.454
24 HE1 PHE 4 HE2 PHE 4 8.705 8.561 -19.120
25 HE2 PHE 4 HE1 PHE 4 12.703 8.031 -20.486
26 HZ PHE 4 HZ PHE 4 10.676 9.414 -20.321
27 H ARG 5 H ARG 5 10.469 3.903 -14.263
28 HA ARG 5 HA ARG 5 10.150 0.950 -14.701
29 1HB ARG 5 2HB ARG 5 12.381 2.220 -13.690
30 2HB ARG 5 1HB ARG 5 11.516 1.965 -12.205
31 1HG ARG 5 2HG ARG 5 12.047 -0.251 -14.238
32 2HG ARG 5 1HG ARG 5 13.149 0.125 -12.932
33 1HD ARG 5 2HD ARG 5 11.391 -0.394 -11.244
34 2HD ARG 5 1HD ARG 5 10.226 -0.658 -12.535
35 HE ARG 5 HE ARG 5 11.146 -2.761 -12.922
36 1HH1 ARG 5 2HH1 ARG 5 13.312 -0.846 -11.004
37 2HH1 ARG 5 1HH1 ARG 5 14.386 -2.171 -10.705
38 1HH2 ARG 5 1HH2 ARG 5 12.497 -4.448 -12.539
39 2HH2 ARG 5 2HH2 ARG 5 13.919 -4.231 -11.576
40 H HIS 6 H HIS 6 8.020 2.505 -14.593
41 HA HIS 6 HA HIS 6 6.069 3.134 -13.487
42 1HB HIS 6 2HB HIS 6 4.980 1.103 -12.442
43 2HB HIS 6 1HB HIS 6 5.728 0.748 -13.985
44 HD1 HIS 6 HD1 HIS 6 6.836 0.578 -10.382
45 HD2 HIS 6 HD2 HIS 6 7.303 -1.481 -13.875
46 HE1 HIS 6 HE1 HIS 6 8.223 -1.393 -9.847
47 H ASP 7 H ASP 7 8.412 3.858 -12.054
48 HA ASP 7 HA ASP 7 8.578 3.531 -9.334
49 1HB ASP 7 2HB ASP 7 8.901 6.380 -9.822
50 2HB ASP 7 1HB ASP 7 10.141 5.172 -9.599
51 H SER 8 H SER 8 7.237 3.598 -7.808
52 HA SER 8 HA SER 8 5.441 5.796 -7.235
53 1HB SER 8 2HB SER 8 4.381 3.031 -8.026
54 2HB SER 8 1HB SER 8 3.422 4.140 -7.031
55 HG SER 8 HG SER 8 3.014 5.205 -8.758
56 H GLY 9 H GLY 9 4.313 5.385 -5.159
57 1HA GLY 9 2HA GLY 9 4.670 3.450 -3.254
58 2HA GLY 9 1HA GLY 9 6.201 4.335 -3.180
59 H TYR 10 H TYR 10 2.709 4.884 -3.284
60 HA TYR 10 HA TYR 10 2.777 6.633 -0.954
61 1HB TYR 10 2HB TYR 10 1.868 8.650 -2.187
62 2HB TYR 10 1HB TYR 10 3.502 8.255 -2.688
63 HD1 TYR 10 HD1 TYR 10 3.920 7.228 -4.903
64 HD2 TYR 10 HD2 TYR 10 -0.036 8.243 -3.695
65 HE1 TYR 10 HE1 TYR 10 3.145 6.963 -7.211
66 HE2 TYR 10 HE2 TYR 10 -0.805 7.981 -6.001
67 HH TYR 10 HH TYR 10 0.176 6.489 -8.109
68 H GLU 11 H GLU 11 0.604 7.615 -0.574
69 HA GLU 11 HA GLU 11 -1.450 5.532 -0.868
70 1HB GLU 11 2HB GLU 11 -1.116 6.575 1.324
71 2HB GLU 11 1HB GLU 11 -1.389 8.169 0.657
72 1HG GLU 11 2HG GLU 11 -3.585 6.132 0.242
73 2HG GLU 11 1HG GLU 11 -3.358 6.720 1.875
74 H VAL 12 H VAL 12 -2.846 5.553 -2.549
75 HA VAL 12 HA VAL 12 -3.505 8.090 -3.900
76 HB VAL 12 HB VAL 12 -2.604 6.845 -5.661
77 1HG1 VAL 12 1HG1 VAL 12 -1.821 4.989 -4.046
78 2HG1 VAL 12 3HG1 VAL 12 -3.340 4.191 -4.444
79 3HG1 VAL 12 2HG1 VAL 12 -2.159 4.523 -5.696
80 1HG2 VAL 12 3HG2 VAL 12 -5.039 6.785 -6.187
81 2HG2 VAL 12 2HG2 VAL 12 -4.125 5.450 -6.864
82 3HG2 VAL 12 1HG2 VAL 12 -5.098 5.188 -5.433
83 H HIS 13 H HIS 13 -5.690 7.773 -4.862
84 HA HIS 13 HA HIS 13 -7.626 7.218 -2.713
85 1HB HIS 13 2HB HIS 13 -7.905 8.455 -5.486
86 2HB HIS 13 1HB HIS 13 -9.265 8.252 -4.384
87 HD1 HIS 13 HD1 HIS 13 -9.594 10.355 -3.122
88 HD2 HIS 13 HD2 HIS 13 -5.610 9.793 -3.807
89 HE1 HIS 13 HE1 HIS 13 -8.432 12.261 -2.068
90 H HIS 14 H HIS 14 -6.250 5.026 -4.049
91 HA HIS 14 HA HIS 14 -8.547 3.269 -4.571
92 1HB HIS 14 2HB HIS 14 -6.266 3.585 -6.579
93 2HB HIS 14 1HB HIS 14 -7.516 2.375 -6.694
94 HD1 HIS 14 HD1 HIS 14 -10.028 3.472 -6.944
95 HD2 HIS 14 HD2 HIS 14 -6.855 5.887 -7.629
96 HE1 HIS 14 HE1 HIS 14 -10.924 5.411 -8.187
97 H GLN 15 H GLN 15 -8.100 1.814 -2.985
98 HA GLN 15 HA GLN 15 -5.562 1.309 -1.858
99 1HB GLN 15 2HB GLN 15 -8.248 0.265 -1.567
100 2HB GLN 15 1HB GLN 15 -7.164 -1.103 -1.646
101 1HG GLN 15 2HG GLN 15 -6.585 1.265 0.186
102 2HG GLN 15 1HG GLN 15 -7.598 -0.075 0.693
103 1HE2 GLN 15 2HE2 GLN 15 -4.801 -1.980 1.589
104 2HE2 GLN 15 1HE2 GLN 15 -6.422 -1.568 1.871
105 H LYS 16 H LYS 16 -6.743 0.370 -4.872
106 HA LYS 16 HA LYS 16 -5.271 -2.082 -5.208
107 1HB LYS 16 2HB LYS 16 -7.386 -0.781 -6.527
108 2HB LYS 16 1HB LYS 16 -6.070 -0.545 -7.651
109 1HG LYS 16 2HG LYS 16 -7.053 -3.204 -6.547
110 2HG LYS 16 1HG LYS 16 -7.246 -2.613 -8.188
111 1HD LYS 16 2HD LYS 16 -4.621 -2.399 -8.145
112 2HD LYS 16 1HD LYS 16 -4.724 -3.483 -6.769
113 1HE LYS 16 2HE LYS 16 -4.410 -4.871 -8.756
114 2HE LYS 16 1HE LYS 16 -6.074 -5.088 -8.235
115 1HZ LYS 16 2HZ LYS 16 -5.961 -2.887 -9.959
116 2HZ LYS 16 1HZ LYS 16 -5.138 -4.178 -10.693
117 3HZ LYS 16 3HZ LYS 16 -6.747 -4.374 -10.187
118 H LEU 17 H LEU 17 -5.034 1.160 -6.507
119 HA LEU 17 HA LEU 17 -2.442 0.889 -7.673
120 1HB LEU 17 2HB LEU 17 -3.843 3.339 -6.532
121 2HB LEU 17 1HB LEU 17 -2.406 3.424 -7.530
122 HG LEU 17 HG LEU 17 -5.252 3.128 -8.314
123 1HD1 LEU 17 1HD1 LEU 17 -3.814 5.009 -9.024
124 2HD1 LEU 17 3HD1 LEU 17 -2.759 3.895 -9.877
125 3HD1 LEU 17 2HD1 LEU 17 -4.415 4.125 -10.413
126 1HD2 LEU 17 2HD2 LEU 17 -3.249 1.316 -9.706
127 2HD2 LEU 17 1HD2 LEU 17 -4.710 0.815 -8.861
128 3HD2 LEU 17 3HD2 LEU 17 -4.832 1.747 -10.335
129 H VAL 18 H VAL 18 -3.510 1.766 -4.431
130 HA VAL 18 HA VAL 18 -1.104 2.600 -3.268
131 HB VAL 18 HB VAL 18 -3.537 1.111 -2.220
132 1HG1 VAL 18 1HG1 VAL 18 -1.035 1.771 -0.682
133 2HG1 VAL 18 3HG1 VAL 18 -2.601 1.727 0.122
134 3HG1 VAL 18 2HG1 VAL 18 -2.001 0.295 -0.686
135 1HG2 VAL 18 3HG2 VAL 18 -2.465 3.925 -1.893
136 2HG2 VAL 18 2HG2 VAL 18 -3.978 3.444 -2.652
137 3HG2 VAL 18 1HG2 VAL 18 -3.790 3.313 -0.922
138 H PHE 19 H PHE 19 -2.421 -0.700 -3.421
139 HA PHE 19 HA PHE 19 -0.259 -2.085 -2.256
140 1HB PHE 19 2HB PHE 19 -2.131 -2.994 -4.487
141 2HB PHE 19 1HB PHE 19 -1.070 -4.073 -3.605
142 HD1 PHE 19 HD2 PHE 19 -1.449 -2.939 -0.772
143 HD2 PHE 19 HD1 PHE 19 -4.248 -3.806 -3.878
144 HE1 PHE 19 HE2 PHE 19 -3.203 -3.267 0.893
145 HE2 PHE 19 HE1 PHE 19 -5.998 -4.135 -2.196
146 HZ PHE 19 HZ PHE 19 -5.481 -3.867 0.192
147 H PHE 20 H PHE 20 -0.835 -1.375 -5.641
148 HA PHE 20 HA PHE 20 1.494 -2.563 -6.714
149 1HB PHE 20 2HB PHE 20 0.140 -1.895 -8.461
150 2HB PHE 20 1HB PHE 20 -0.545 -0.562 -7.563
151 HD1 PHE 20 HD1 PHE 20 2.478 -1.595 -9.491
152 HD2 PHE 20 HD2 PHE 20 0.188 1.666 -7.979
153 HE1 PHE 20 HE1 PHE 20 3.843 -0.034 -10.777
154 HE2 PHE 20 HE2 PHE 20 1.548 3.226 -9.257
155 HZ PHE 20 HZ PHE 20 3.391 2.392 -10.674
156 H ALA 21 H ALA 21 0.984 0.802 -5.773
157 HA ALA 21 HA ALA 21 3.567 1.825 -6.148
158 1HB ALA 21 1HB ALA 21 1.328 3.019 -5.450
159 2HB ALA 21 3HB ALA 21 1.801 2.649 -3.799
160 3HB ALA 21 2HB ALA 21 2.814 3.674 -4.798
161 H GLU 22 H GLU 22 2.289 0.276 -3.251
162 HA GLU 22 HA GLU 22 4.580 0.591 -1.615
163 1HB GLU 22 2HB GLU 22 2.436 -1.570 -1.735
164 2HB GLU 22 1HB GLU 22 3.709 -1.628 -0.532
165 1HG GLU 22 2HG GLU 22 3.029 0.453 0.455
166 2HG GLU 22 1HG GLU 22 1.961 0.841 -0.884
167 H ASP 23 H ASP 23 3.714 -2.131 -3.695
168 HA ASP 23 HA ASP 23 5.971 -3.755 -3.364
169 1HB ASP 23 2HB ASP 23 3.835 -4.138 -4.858
170 2HB ASP 23 1HB ASP 23 4.711 -3.285 -6.092
171 H VAL 24 H VAL 24 5.419 -1.273 -5.705
172 HA VAL 24 HA VAL 24 7.871 -1.187 -7.042
173 HB VAL 24 HB VAL 24 5.952 1.085 -6.399
174 1HG1 VAL 24 1HG1 VAL 24 7.973 0.743 -8.602
175 2HG1 VAL 24 3HG1 VAL 24 6.695 1.952 -8.566
176 3HG1 VAL 24 2HG1 VAL 24 7.950 1.970 -7.333
177 1HG2 VAL 24 3HG2 VAL 24 5.308 -1.299 -7.681
178 2HG2 VAL 24 2HG2 VAL 24 4.482 0.233 -7.871
179 3HG2 VAL 24 1HG2 VAL 24 5.716 -0.254 -9.019
180 H GLY 25 H GLY 25 6.822 0.712 -4.310
181 1HA GLY 25 2HA GLY 25 9.104 2.277 -3.833
182 2HA GLY 25 1HA GLY 25 7.950 1.803 -2.588
183 H SER 26 H SER 26 8.230 -0.755 -2.212
184 HA SER 26 HA SER 26 10.595 -1.090 -0.706
185 1HB SER 26 2HB SER 26 9.995 -3.717 -1.123
186 2HB SER 26 1HB SER 26 8.957 -2.707 -0.115
187 HG SER 26 HG SER 26 8.423 -3.848 -2.479
188 H ASN 27 H ASN 27 9.876 -2.272 -3.951
189 HA ASN 27 HA ASN 27 12.300 -3.564 -4.499
190 1HB ASN 27 2HB ASN 27 10.130 -2.241 -6.118
191 2HB ASN 27 1HB ASN 27 11.628 -2.528 -6.965
192 1HD2 ASN 27 1HD2 ASN 27 8.684 -3.957 -6.092
193 2HD2 ASN 27 2HD2 ASN 27 9.093 -5.577 -6.377
194 H LYS 28 H LYS 28 11.466 -0.283 -5.427
195 HA LYS 28 HA LYS 28 13.961 0.579 -6.400
196 1HB LYS 28 2HB LYS 28 11.713 1.996 -4.924
197 2HB LYS 28 1HB LYS 28 13.070 2.892 -5.587
198 1HG LYS 28 2HG LYS 28 11.530 0.953 -7.352
199 2HG LYS 28 1HG LYS 28 10.849 2.529 -7.016
200 1HD LYS 28 2HD LYS 28 12.627 3.688 -8.081
201 2HD LYS 28 1HD LYS 28 13.716 2.315 -7.987
202 1HE LYS 28 2HE LYS 28 12.878 2.644 -10.300
203 2HE LYS 28 1HE LYS 28 12.355 1.093 -9.664
204 1HZ LYS 28 2HZ LYS 28 10.447 3.033 -8.990
205 2HZ LYS 28 1HZ LYS 28 10.793 3.173 -10.646
206 3HZ LYS 28 3HZ LYS 28 10.278 1.687 -10.010
207 H GLY 29 H GLY 29 12.769 0.606 -3.049
208 1HA GLY 29 2HA GLY 29 14.963 1.839 -1.787
209 2HA GLY 29 1HA GLY 29 13.929 0.630 -1.025
210 H ALA 30 H ALA 30 14.378 -1.642 -2.252
211 HA ALA 30 HA ALA 30 16.888 -2.556 -1.286
212 1HB ALA 30 3HB ALA 30 14.905 -4.039 -1.798
213 2HB ALA 30 2HB ALA 30 15.193 -3.804 -3.513
214 3HB ALA 30 1HB ALA 30 16.379 -4.650 -2.531
215 H ILE 31 H ILE 31 15.920 -1.752 -4.558
216 HA ILE 31 HA ILE 31 18.231 -2.333 -5.980
217 HB ILE 31 HB ILE 31 15.917 -0.377 -6.186
218 1HG1 ILE 31 2HG1 ILE 31 16.776 -2.748 -7.858
219 2HG1 ILE 31 1HG1 ILE 31 15.578 -2.778 -6.593
220 1HG2 ILE 31 1HG2 ILE 31 18.097 -0.475 -8.284
221 2HG2 ILE 31 3HG2 ILE 31 16.545 0.343 -8.436
222 3HG2 ILE 31 2HG2 ILE 31 17.702 0.899 -7.251
223 1HD1 ILE 31 2HD1 ILE 31 14.308 -0.957 -7.937
224 2HD1 ILE 31 1HD1 ILE 31 15.366 -1.396 -9.269
225 3HD1 ILE 31 3HD1 ILE 31 14.289 -2.594 -8.568
226 H ILE 32 H ILE 32 17.385 0.773 -4.491
227 HA ILE 32 HA ILE 32 19.814 2.107 -5.033
228 HB ILE 32 HB ILE 32 17.953 2.382 -2.610
229 1HG1 ILE 32 2HG1 ILE 32 17.996 4.168 -5.070
230 2HG1 ILE 32 1HG1 ILE 32 17.070 2.698 -5.090
231 1HG2 ILE 32 1HG2 ILE 32 20.085 4.277 -3.703
232 2HG2 ILE 32 3HG2 ILE 32 18.885 4.746 -2.510
233 3HG2 ILE 32 2HG2 ILE 32 20.067 3.515 -2.121
234 1HD1 ILE 32 2HD1 ILE 32 15.937 3.499 -2.926
235 2HD1 ILE 32 1HD1 ILE 32 16.688 5.058 -3.227
236 3HD1 ILE 32 3HD1 ILE 32 15.543 4.396 -4.380
237 H GLY 33 H GLY 33 18.886 0.198 -2.217
238 1HA GLY 33 2HA GLY 33 21.255 0.397 -0.707
239 2HA GLY 33 1HA GLY 33 20.206 -1.023 -0.695
240 H LEU 34 H LEU 34 20.443 -1.985 -3.206
241 HA LEU 34 HA LEU 34 22.880 -3.417 -3.170
242 1HB LEU 34 2HB LEU 34 20.878 -2.886 -5.413
243 2HB LEU 34 1HB LEU 34 22.229 -3.976 -5.626
244 HG LEU 34 HG LEU 34 20.372 -4.355 -3.250
245 1HD1 LEU 34 3HD1 LEU 34 19.873 -5.223 -6.125
246 2HD1 LEU 34 2HD1 LEU 34 19.097 -5.995 -4.749
247 3HD1 LEU 34 1HD1 LEU 34 18.802 -4.300 -5.081
248 1HD2 LEU 34 2HD2 LEU 34 22.056 -6.256 -4.949
249 2HD2 LEU 34 1HD2 LEU 34 22.474 -5.677 -3.345
250 3HD2 LEU 34 3HD2 LEU 34 21.089 -6.730 -3.564
251 H MET 35 H MET 35 21.953 -0.644 -5.179
252 HA MET 35 HA MET 35 24.311 -0.398 -6.693
253 1HB MET 35 2HB MET 35 22.424 1.726 -5.580
254 2HB MET 35 1HB MET 35 23.757 2.143 -6.634
255 1HG MET 35 2HG MET 35 21.617 0.113 -7.332
256 2HG MET 35 1HG MET 35 21.541 1.790 -7.788
257 1HE MET 35 1HE MET 35 22.833 2.957 -9.435
258 2HE MET 35 3HE MET 35 24.452 2.551 -8.868
259 3HE MET 35 2HE MET 35 24.015 2.278 -10.553
260 H VAL 36 H VAL 36 23.539 1.135 -3.657
261 HA VAL 36 HA VAL 36 25.958 2.420 -3.063
262 HB VAL 36 HB VAL 36 23.833 1.182 -1.230
263 1HG1 VAL 36 2HG1 VAL 36 26.185 2.992 -0.517
264 2HG1 VAL 36 1HG1 VAL 36 24.785 2.778 0.521
265 3HG1 VAL 36 3HG1 VAL 36 25.821 1.412 0.159
266 1HG2 VAL 36 3HG2 VAL 36 23.217 3.100 -2.819
267 2HG2 VAL 36 2HG2 VAL 36 22.930 3.411 -1.118
268 3HG2 VAL 36 1HG2 VAL 36 24.333 4.104 -1.913
269 H GLY 37 H GLY 37 24.922 -0.796 -1.999
270 1HA GLY 37 2HA GLY 37 27.767 -1.533 -1.414
271 2HA GLY 37 1HA GLY 37 26.355 -2.270 -0.661
272 H GLY 38 H GLY 38 27.536 -1.631 -3.946
273 1HA GLY 38 2HA GLY 38 27.504 -4.477 -4.641
274 2HA GLY 38 1HA GLY 38 26.260 -3.532 -5.456
275 H VAL 39 H VAL 39 27.703 -1.138 -5.784
276 HA VAL 39 HA VAL 39 29.393 -1.875 -8.050
277 HB VAL 39 HB VAL 39 28.646 0.913 -7.003
278 1HG1 VAL 39 1HG1 VAL 39 29.844 -0.128 -9.592
279 2HG1 VAL 39 3HG1 VAL 39 28.875 1.334 -9.620
280 3HG1 VAL 39 2HG1 VAL 39 30.325 1.270 -8.644
281 1HG2 VAL 39 1HG2 VAL 39 26.594 -0.488 -7.485
282 2HG2 VAL 39 3HG2 VAL 39 26.757 0.861 -8.592
283 3HG2 VAL 39 2HG2 VAL 39 27.194 -0.760 -9.109
284 H VAL 40 H VAL 40 30.229 -2.463 -5.375
285 HA VAL 40 HA VAL 40 32.279 -0.711 -4.426
286 HB VAL 40 HB VAL 40 31.959 -3.730 -4.035
287 1HG1 VAL 40 2HG1 VAL 40 33.548 -1.646 -2.470
288 2HG1 VAL 40 1HG1 VAL 40 33.236 -3.275 -1.892
289 3HG1 VAL 40 3HG1 VAL 40 34.197 -3.029 -3.337
290 1HG2 VAL 40 1HG2 VAL 40 30.883 -1.364 -2.435
291 2HG2 VAL 40 3HG2 VAL 40 29.931 -2.549 -3.317
292 3HG2 VAL 40 2HG2 VAL 40 30.824 -3.032 -1.887
No H/Q in entry = 292
Start of MODEL 3
1 1H ASP 1 2H ASP 1 -22.287 -19.450 15.913
2 2H ASP 1 1H ASP 1 -21.404 -20.546 16.862
3 3H ASP 1 3H ASP 1 -21.215 -18.876 17.100
4 HA ASP 1 HA ASP 1 -19.595 -18.801 15.642
5 1HB ASP 1 2HB ASP 1 -20.230 -21.758 15.192
6 2HB ASP 1 1HB ASP 1 -18.769 -20.961 14.628
7 H ALA 2 H ALA 2 -19.221 -18.308 13.518
8 HA ALA 2 HA ALA 2 -20.930 -19.181 11.340
9 1HB ALA 2 1HB ALA 2 -21.160 -16.317 12.380
10 2HB ALA 2 3HB ALA 2 -21.808 -16.861 10.839
11 3HB ALA 2 2HB ALA 2 -22.449 -17.509 12.339
12 H GLU 3 H GLU 3 -20.093 -18.633 9.367
13 HA GLU 3 HA GLU 3 -17.279 -18.195 9.186
14 1HB GLU 3 2HB GLU 3 -19.368 -17.813 6.994
15 2HB GLU 3 1HB GLU 3 -17.646 -18.060 6.752
16 1HG GLU 3 2HG GLU 3 -17.817 -20.321 7.802
17 2HG GLU 3 1HG GLU 3 -19.543 -20.079 8.041
18 H PHE 4 H PHE 4 -20.027 -16.106 8.736
19 HA PHE 4 HA PHE 4 -20.332 -13.834 8.655
20 1HB PHE 4 2HB PHE 4 -18.953 -14.011 10.828
21 2HB PHE 4 1HB PHE 4 -17.542 -13.543 9.892
22 HD1 PHE 4 HD1 PHE 4 -17.448 -11.287 8.814
23 HD2 PHE 4 HD2 PHE 4 -20.734 -12.414 11.289
24 HE1 PHE 4 HE1 PHE 4 -18.144 -8.942 8.962
25 HE2 PHE 4 HE2 PHE 4 -21.423 -10.065 11.434
26 HZ PHE 4 HZ PHE 4 -20.132 -8.324 10.271
27 H ARG 5 H ARG 5 -20.392 -13.415 6.572
28 HA ARG 5 HA ARG 5 -17.936 -12.325 5.305
29 1HB ARG 5 2HB ARG 5 -18.908 -14.803 4.629
30 2HB ARG 5 1HB ARG 5 -19.847 -13.826 3.524
31 1HG ARG 5 2HG ARG 5 -17.912 -12.967 2.426
32 2HG ARG 5 1HG ARG 5 -16.839 -13.422 3.734
33 1HD ARG 5 2HD ARG 5 -18.306 -15.390 1.925
34 2HD ARG 5 1HD ARG 5 -16.595 -14.979 1.811
35 HE ARG 5 HE ARG 5 -16.870 -15.778 4.433
36 1HH1 ARG 5 1HH1 ARG 5 -17.470 -18.803 1.929
37 2HH1 ARG 5 2HH1 ARG 5 -17.680 -17.180 1.365
38 1HH2 ARG 5 1HH2 ARG 5 -16.602 -17.816 5.162
39 2HH2 ARG 5 2HH2 ARG 5 -16.853 -19.171 4.114
40 H HIS 6 H HIS 6 -20.268 -11.190 6.581
41 HA HIS 6 HA HIS 6 -21.755 -9.862 4.427
42 1HB HIS 6 2HB HIS 6 -22.694 -10.653 6.761
43 2HB HIS 6 1HB HIS 6 -21.967 -9.187 7.391
44 HD1 HIS 6 HD1 HIS 6 -25.003 -9.499 7.311
45 HD2 HIS 6 HD2 HIS 6 -22.952 -7.610 4.327
46 HE1 HIS 6 HE1 HIS 6 -26.619 -8.017 6.185
47 H ASP 7 H ASP 7 -19.078 -9.440 4.317
48 HA ASP 7 HA ASP 7 -18.233 -6.971 5.543
49 1HB ASP 7 2HB ASP 7 -16.389 -7.350 3.589
50 2HB ASP 7 1HB ASP 7 -16.371 -8.301 5.058
51 H SER 8 H SER 8 -20.027 -5.696 4.930
52 HA SER 8 HA SER 8 -19.690 -4.368 2.321
53 1HB SER 8 2HB SER 8 -22.381 -5.400 3.378
54 2HB SER 8 1HB SER 8 -22.179 -4.397 1.932
55 HG SER 8 HG SER 8 -21.594 -6.118 0.918
56 H GLY 9 H GLY 9 -19.761 -2.245 2.511
57 1HA GLY 9 2HA GLY 9 -21.295 -0.451 3.771
58 2HA GLY 9 1HA GLY 9 -20.350 -1.032 5.147
59 H TYR 10 H TYR 10 -17.917 -1.328 4.365
60 HA TYR 10 HA TYR 10 -16.925 1.362 3.937
61 1HB TYR 10 2HB TYR 10 -15.710 -0.145 5.441
62 2HB TYR 10 1HB TYR 10 -15.519 -1.336 4.166
63 HD1 TYR 10 HD2 TYR 10 -14.699 2.252 4.920
64 HD2 TYR 10 HD1 TYR 10 -13.526 -1.304 2.888
65 HE1 TYR 10 HE2 TYR 10 -12.610 3.328 4.238
66 HE2 TYR 10 HE1 TYR 10 -11.440 -0.225 2.211
67 HH TYR 10 HH TYR 10 -10.703 2.301 1.839
68 H GLU 11 H GLU 11 -15.493 2.000 2.318
69 HA GLU 11 HA GLU 11 -15.571 0.557 -0.286
70 1HB GLU 11 2HB GLU 11 -17.309 2.541 0.046
71 2HB GLU 11 1HB GLU 11 -15.912 3.582 -0.106
72 1HG GLU 11 2HG GLU 11 -16.606 1.442 -2.176
73 2HG GLU 11 1HG GLU 11 -17.210 3.085 -2.275
74 H VAL 12 H VAL 12 -13.549 0.430 -1.102
75 HA VAL 12 HA VAL 12 -11.296 1.333 0.314
76 HB VAL 12 HB VAL 12 -9.999 0.582 -1.684
77 1HG1 VAL 12 3HG1 VAL 12 -10.979 -1.037 0.038
78 2HG1 VAL 12 2HG1 VAL 12 -12.257 -1.366 -1.120
79 3HG1 VAL 12 1HG1 VAL 12 -10.586 -1.734 -1.523
80 1HG2 VAL 12 3HG2 VAL 12 -11.652 1.407 -3.426
81 2HG2 VAL 12 2HG2 VAL 12 -11.099 -0.234 -3.686
82 3HG2 VAL 12 1HG2 VAL 12 -12.691 0.053 -3.008
83 H HIS 13 H HIS 13 -9.623 2.508 -0.452
84 HA HIS 13 HA HIS 13 -10.365 5.080 -1.827
85 1HB HIS 13 2HB HIS 13 -8.465 4.525 0.498
86 2HB HIS 13 1HB HIS 13 -8.426 6.035 -0.406
87 HD1 HIS 13 HD1 HIS 13 -9.776 7.720 0.807
88 HD2 HIS 13 HD2 HIS 13 -11.478 4.040 1.243
89 HE1 HIS 13 HE1 HIS 13 -11.808 8.052 2.166
90 H HIS 14 H HIS 14 -9.868 3.495 -3.591
91 HA HIS 14 HA HIS 14 -8.559 2.750 -5.342
92 1HB HIS 14 2HB HIS 14 -6.635 4.934 -4.545
93 2HB HIS 14 1HB HIS 14 -7.044 4.437 -6.189
94 HD1 HIS 14 HD1 HIS 14 -7.436 7.306 -4.634
95 HD2 HIS 14 HD2 HIS 14 -10.368 4.754 -5.874
96 HE1 HIS 14 HE1 HIS 14 -9.487 8.656 -4.843
97 H GLN 15 H GLN 15 -8.136 1.646 -2.754
98 HA GLN 15 HA GLN 15 -5.533 1.225 -1.900
99 1HB GLN 15 2HB GLN 15 -7.994 -0.525 -1.959
100 2HB GLN 15 1HB GLN 15 -6.494 -1.166 -1.316
101 1HG GLN 15 2HG GLN 15 -6.357 0.513 0.394
102 2HG GLN 15 1HG GLN 15 -7.578 1.516 -0.376
103 1HE2 GLN 15 2HE2 GLN 15 -9.072 -1.937 1.263
104 2HE2 GLN 15 1HE2 GLN 15 -7.699 -2.024 0.270
105 H LYS 16 H LYS 16 -7.061 -0.156 -4.694
106 HA LYS 16 HA LYS 16 -5.304 -2.266 -5.301
107 1HB LYS 16 2HB LYS 16 -5.926 -1.771 -7.739
108 2HB LYS 16 1HB LYS 16 -7.265 -2.015 -6.648
109 1HG LYS 16 2HG LYS 16 -8.126 -0.057 -7.402
110 2HG LYS 16 1HG LYS 16 -6.894 0.769 -6.489
111 1HD LYS 16 2HD LYS 16 -6.487 1.654 -8.598
112 2HD LYS 16 1HD LYS 16 -5.382 0.296 -8.639
113 1HE LYS 16 2HE LYS 16 -7.251 -1.071 -9.730
114 2HE LYS 16 1HE LYS 16 -8.173 0.422 -9.850
115 1HZ LYS 16 2HZ LYS 16 -5.598 0.899 -10.822
116 2HZ LYS 16 1HZ LYS 16 -6.178 -0.523 -11.546
117 3HZ LYS 16 3HZ LYS 16 -7.071 0.917 -11.666
118 H LEU 17 H LEU 17 -5.043 1.100 -6.373
119 HA LEU 17 HA LEU 17 -2.453 0.740 -7.584
120 1HB LEU 17 2HB LEU 17 -2.648 2.966 -8.205
121 2HB LEU 17 1HB LEU 17 -4.322 2.625 -7.867
122 HG LEU 17 HG LEU 17 -3.833 3.536 -5.463
123 1HD1 LEU 17 3HD1 LEU 17 -1.210 3.919 -6.749
124 2HD1 LEU 17 2HD1 LEU 17 -1.858 5.461 -6.233
125 3HD1 LEU 17 1HD1 LEU 17 -1.653 4.168 -5.073
126 1HD2 LEU 17 3HD2 LEU 17 -5.169 4.670 -7.298
127 2HD2 LEU 17 2HD2 LEU 17 -4.379 5.786 -6.197
128 3HD2 LEU 17 1HD2 LEU 17 -3.697 5.489 -7.790
129 H VAL 18 H VAL 18 -3.540 1.745 -4.364
130 HA VAL 18 HA VAL 18 -1.106 2.677 -3.306
131 HB VAL 18 HB VAL 18 -3.317 1.050 -1.941
132 1HG1 VAL 18 2HG1 VAL 18 -0.814 2.136 -0.900
133 2HG1 VAL 18 1HG1 VAL 18 -2.210 2.816 -0.079
134 3HG1 VAL 18 3HG1 VAL 18 -1.998 1.077 -0.143
135 1HG2 VAL 18 3HG2 VAL 18 -4.051 3.207 -3.080
136 2HG2 VAL 18 2HG2 VAL 18 -4.268 3.234 -1.342
137 3HG2 VAL 18 1HG2 VAL 18 -2.910 4.074 -2.073
138 H PHE 19 H PHE 19 -2.370 -0.627 -3.389
139 HA PHE 19 HA PHE 19 -0.181 -1.990 -2.218
140 1HB PHE 19 2HB PHE 19 -1.944 -3.029 -4.484
141 2HB PHE 19 1HB PHE 19 -1.035 -4.010 -3.351
142 HD1 PHE 19 HD2 PHE 19 -1.689 -2.484 -0.767
143 HD2 PHE 19 HD1 PHE 19 -4.154 -3.731 -4.019
144 HE1 PHE 19 HE2 PHE 19 -3.628 -2.535 0.718
145 HE2 PHE 19 HE1 PHE 19 -6.092 -3.779 -2.521
146 HZ PHE 19 HZ PHE 19 -5.835 -3.183 -0.149
147 H PHE 20 H PHE 20 -0.845 -1.301 -5.601
148 HA PHE 20 HA PHE 20 1.454 -2.425 -6.764
149 1HB PHE 20 2HB PHE 20 0.167 -1.659 -8.511
150 2HB PHE 20 1HB PHE 20 -0.633 -0.478 -7.511
151 HD1 PHE 20 HD2 PHE 20 2.613 -1.038 -9.298
152 HD2 PHE 20 HD1 PHE 20 -0.234 1.835 -7.940
153 HE1 PHE 20 HE2 PHE 20 3.829 0.733 -10.456
154 HE2 PHE 20 HE1 PHE 20 0.983 3.592 -9.088
155 HZ PHE 20 HZ PHE 20 3.028 3.060 -10.361
156 H ALA 21 H ALA 21 1.013 0.913 -5.700
157 HA ALA 21 HA ALA 21 3.617 1.895 -6.083
158 1HB ALA 21 1HB ALA 21 1.448 3.142 -5.357
159 2HB ALA 21 3HB ALA 21 1.889 2.710 -3.713
160 3HB ALA 21 2HB ALA 21 2.958 3.719 -4.674
161 H GLU 22 H GLU 22 2.311 0.355 -3.196
162 HA GLU 22 HA GLU 22 4.626 0.561 -1.571
163 1HB GLU 22 2HB GLU 22 2.433 -1.573 -1.688
164 2HB GLU 22 1HB GLU 22 3.670 -1.579 -0.446
165 1HG GLU 22 2HG GLU 22 2.929 0.494 0.483
166 2HG GLU 22 1HG GLU 22 1.979 0.901 -0.936
167 H ASP 23 H ASP 23 3.654 -2.050 -3.752
168 HA ASP 23 HA ASP 23 5.852 -3.763 -3.439
169 1HB ASP 23 2HB ASP 23 3.685 -3.981 -4.968
170 2HB ASP 23 1HB ASP 23 4.672 -3.220 -6.180
171 H VAL 24 H VAL 24 5.384 -1.223 -5.751
172 HA VAL 24 HA VAL 24 7.799 -1.162 -7.122
173 HB VAL 24 HB VAL 24 5.978 1.141 -6.271
174 1HG1 VAL 24 3HG1 VAL 24 8.033 0.991 -8.449
175 2HG1 VAL 24 2HG1 VAL 24 6.688 2.132 -8.462
176 3HG1 VAL 24 1HG1 VAL 24 7.859 2.186 -7.157
177 1HG2 VAL 24 3HG2 VAL 24 5.275 -1.113 -7.726
178 2HG2 VAL 24 2HG2 VAL 24 4.484 0.448 -7.793
179 3HG2 VAL 24 1HG2 VAL 24 5.700 0.021 -8.989
180 H GLY 25 H GLY 25 6.931 0.617 -4.254
181 1HA GLY 25 2HA GLY 25 9.368 1.943 -3.693
182 2HA GLY 25 1HA GLY 25 8.183 1.492 -2.469
183 H SER 26 H SER 26 8.191 -1.104 -2.350
184 HA SER 26 HA SER 26 10.401 -1.885 -0.829
185 1HB SER 26 2HB SER 26 8.664 -3.798 -2.484
186 2HB SER 26 1HB SER 26 9.519 -4.174 -0.981
187 HG SER 26 HG SER 26 7.143 -2.995 -1.318
188 H ASN 27 H ASN 27 9.760 -2.688 -4.179
189 HA ASN 27 HA ASN 27 12.086 -4.110 -4.767
190 1HB ASN 27 2HB ASN 27 10.146 -2.435 -6.403
191 2HB ASN 27 1HB ASN 27 11.526 -3.152 -7.196
192 1HD2 ASN 27 2HD2 ASN 27 8.789 -5.741 -5.514
193 2HD2 ASN 27 1HD2 ASN 27 9.164 -4.297 -4.705
194 H LYS 28 H LYS 28 11.630 -0.695 -5.640
195 HA LYS 28 HA LYS 28 14.329 -0.284 -6.465
196 1HB LYS 28 2HB LYS 28 13.901 2.143 -6.083
197 2HB LYS 28 1HB LYS 28 12.567 1.374 -6.916
198 1HG LYS 28 2HG LYS 28 11.309 1.233 -4.788
199 2HG LYS 28 1HG LYS 28 12.623 2.020 -3.935
200 1HD LYS 28 2HD LYS 28 11.183 3.819 -4.388
201 2HD LYS 28 1HD LYS 28 12.316 3.937 -5.719
202 1HE LYS 28 2HE LYS 28 10.735 2.769 -7.214
203 2HE LYS 28 1HE LYS 28 9.648 2.462 -5.868
204 1HZ LYS 28 3HZ LYS 28 10.181 5.198 -5.945
205 2HZ LYS 28 2HZ LYS 28 9.765 4.698 -7.513
206 3HZ LYS 28 1HZ LYS 28 8.711 4.391 -6.217
207 H GLY 29 H GLY 29 12.879 -0.133 -3.217
208 1HA GLY 29 2HA GLY 29 15.075 0.918 -1.796
209 2HA GLY 29 1HA GLY 29 13.879 -0.198 -1.124
210 H ALA 30 H ALA 30 14.210 -2.510 -2.291
211 HA ALA 30 HA ALA 30 16.554 -3.644 -1.172
212 1HB ALA 30 2HB ALA 30 14.523 -4.965 -1.784
213 2HB ALA 30 1HB ALA 30 14.863 -4.708 -3.486
214 3HB ALA 30 3HB ALA 30 15.958 -5.675 -2.508
215 H ILE 31 H ILE 31 15.888 -2.739 -4.496
216 HA ILE 31 HA ILE 31 18.256 -3.554 -5.723
217 HB ILE 31 HB ILE 31 16.138 -1.408 -6.142
218 1HG1 ILE 31 2HG1 ILE 31 16.874 -3.901 -7.703
219 2HG1 ILE 31 1HG1 ILE 31 15.622 -3.804 -6.496
220 1HG2 ILE 31 1HG2 ILE 31 18.453 -1.792 -8.058
221 2HG2 ILE 31 3HG2 ILE 31 16.989 -0.874 -8.390
222 3HG2 ILE 31 2HG2 ILE 31 18.075 -0.340 -7.131
223 1HD1 ILE 31 3HD1 ILE 31 14.601 -1.889 -7.956
224 2HD1 ILE 31 2HD1 ILE 31 15.629 -2.528 -9.231
225 3HD1 ILE 31 1HD1 ILE 31 14.406 -3.546 -8.493
226 H ILE 32 H ILE 32 17.538 -0.319 -4.432
227 HA ILE 32 HA ILE 32 20.129 0.743 -4.780
228 HB ILE 32 HB ILE 32 18.069 1.327 -2.582
229 1HG1 ILE 32 2HG1 ILE 32 18.533 2.973 -5.095
230 2HG1 ILE 32 1HG1 ILE 32 17.494 1.579 -5.165
231 1HG2 ILE 32 1HG2 ILE 32 20.499 2.918 -3.526
232 2HG2 ILE 32 3HG2 ILE 32 19.227 3.613 -2.537
233 3HG2 ILE 32 2HG2 ILE 32 20.201 2.300 -1.910
234 1HD1 ILE 32 2HD1 ILE 32 16.169 2.545 -3.213
235 2HD1 ILE 32 1HD1 ILE 32 17.110 4.018 -3.398
236 3HD1 ILE 32 3HD1 ILE 32 16.073 3.470 -4.702
237 H GLY 33 H GLY 33 18.759 -1.109 -2.139
238 1HA GLY 33 2HA GLY 33 20.863 -0.991 -0.289
239 2HA GLY 33 1HA GLY 33 19.775 -2.367 -0.459
240 H LEU 34 H LEU 34 20.391 -3.480 -2.821
241 HA LEU 34 HA LEU 34 22.867 -4.799 -2.263
242 1HB LEU 34 2HB LEU 34 22.386 -6.153 -4.130
243 2HB LEU 34 1HB LEU 34 20.808 -5.561 -3.695
244 HG LEU 34 HG LEU 34 21.462 -3.643 -5.501
245 1HD1 LEU 34 1HD1 LEU 34 22.980 -6.132 -6.405
246 2HD1 LEU 34 3HD1 LEU 34 22.619 -4.759 -7.436
247 3HD1 LEU 34 2HD1 LEU 34 23.687 -4.562 -6.064
248 1HD2 LEU 34 2HD2 LEU 34 19.492 -5.300 -5.457
249 2HD2 LEU 34 1HD2 LEU 34 20.030 -4.783 -7.045
250 3HD2 LEU 34 3HD2 LEU 34 20.490 -6.362 -6.431
251 H MET 35 H MET 35 22.130 -2.123 -4.454
252 HA MET 35 HA MET 35 24.658 -1.981 -5.757
253 1HB MET 35 2HB MET 35 22.633 0.197 -5.062
254 2HB MET 35 1HB MET 35 24.022 0.477 -6.090
255 1HG MET 35 2HG MET 35 23.148 -0.690 -7.846
256 2HG MET 35 1HG MET 35 22.369 -1.876 -6.841
257 1HE MET 35 2HE MET 35 22.338 1.767 -7.924
258 2HE MET 35 1HE MET 35 20.645 2.247 -7.845
259 3HE MET 35 3HE MET 35 21.564 2.022 -6.359
260 H VAL 36 H VAL 36 23.442 -0.261 -2.964
261 HA VAL 36 HA VAL 36 25.710 1.173 -2.167
262 HB VAL 36 HB VAL 36 23.339 0.024 -0.610
263 1HG1 VAL 36 1HG1 VAL 36 25.584 1.824 0.408
264 2HG1 VAL 36 3HG1 VAL 36 24.020 1.711 1.200
265 3HG1 VAL 36 2HG1 VAL 36 25.050 0.297 1.094
266 1HG2 VAL 36 2HG2 VAL 36 23.081 1.907 -2.376
267 2HG2 VAL 36 1HG2 VAL 36 22.446 2.244 -0.776
268 3HG2 VAL 36 3HG2 VAL 36 23.988 2.922 -1.271
269 H GLY 37 H GLY 37 24.681 -2.061 -1.167
270 1HA GLY 37 2HA GLY 37 26.574 -2.770 0.711
271 2HA GLY 37 1HA GLY 37 25.902 -3.908 -0.448
272 H GLY 38 H GLY 38 27.115 -2.403 -2.713
273 1HA GLY 38 2HA GLY 38 29.169 -2.137 -3.821
274 2HA GLY 38 1HA GLY 38 30.015 -2.608 -2.347
275 H VAL 39 H VAL 39 27.395 -4.426 -3.787
276 HA VAL 39 HA VAL 39 29.108 -6.775 -4.006
277 HB VAL 39 HB VAL 39 26.188 -6.672 -4.898
278 1HG1 VAL 39 1HG1 VAL 39 27.861 -8.770 -3.435
279 2HG1 VAL 39 3HG1 VAL 39 26.185 -8.972 -3.914
280 3HG1 VAL 39 2HG1 VAL 39 27.431 -8.822 -5.136
281 1HG2 VAL 39 1HG2 VAL 39 27.190 -6.650 -2.013
282 2HG2 VAL 39 3HG2 VAL 39 26.088 -5.503 -2.755
283 3HG2 VAL 39 2HG2 VAL 39 25.566 -7.148 -2.461
284 H VAL 40 H VAL 40 29.386 -4.425 -5.725
285 HA VAL 40 HA VAL 40 28.593 -5.029 -8.419
286 HB VAL 40 HB VAL 40 30.892 -3.262 -7.438
287 1HG1 VAL 40 2HG1 VAL 40 29.355 -3.342 -10.075
288 2HG1 VAL 40 1HG1 VAL 40 30.436 -2.036 -9.612
289 3HG1 VAL 40 3HG1 VAL 40 31.069 -3.654 -9.847
290 1HG2 VAL 40 2HG2 VAL 40 27.943 -2.638 -7.894
291 2HG2 VAL 40 1HG2 VAL 40 28.812 -2.546 -6.370
292 3HG2 VAL 40 3HG2 VAL 40 29.177 -1.412 -7.656
No H/Q in entry = 292
Start of MODEL 4
1 1H ASP 1 1H ASP 1 -10.537 -6.930 -19.811
2 2H ASP 1 3H ASP 1 -11.131 -5.404 -19.366
3 3H ASP 1 2H ASP 1 -9.553 -5.860 -18.934
4 HA ASP 1 HA ASP 1 -10.262 -6.700 -17.051
5 1HB ASP 1 2HB ASP 1 -12.601 -6.309 -16.352
6 2HB ASP 1 1HB ASP 1 -12.042 -4.919 -17.262
7 H ALA 2 H ALA 2 -11.683 -8.392 -16.015
8 HA ALA 2 HA ALA 2 -12.211 -10.681 -17.875
9 1HB ALA 2 3HB ALA 2 -10.059 -10.930 -16.594
10 2HB ALA 2 2HB ALA 2 -10.965 -10.812 -15.093
11 3HB ALA 2 1HB ALA 2 -11.228 -12.172 -16.175
12 H GLU 3 H GLU 3 -13.992 -8.734 -16.890
13 HA GLU 3 HA GLU 3 -16.094 -8.480 -15.941
14 1HB GLU 3 2HB GLU 3 -16.195 -10.724 -17.416
15 2HB GLU 3 1HB GLU 3 -16.404 -11.515 -15.872
16 1HG GLU 3 2HG GLU 3 -18.143 -9.230 -16.930
17 2HG GLU 3 1HG GLU 3 -18.590 -10.925 -16.942
18 H PHE 4 H PHE 4 -14.703 -7.858 -14.099
19 HA PHE 4 HA PHE 4 -15.755 -8.987 -11.639
20 1HB PHE 4 2HB PHE 4 -13.832 -10.555 -12.129
21 2HB PHE 4 1HB PHE 4 -12.742 -9.182 -12.182
22 HD1 PHE 4 HD1 PHE 4 -15.125 -10.999 -9.946
23 HD2 PHE 4 HD2 PHE 4 -11.817 -8.318 -10.157
24 HE1 PHE 4 HE1 PHE 4 -14.854 -11.133 -7.512
25 HE2 PHE 4 HE2 PHE 4 -11.553 -8.456 -7.724
26 HZ PHE 4 HZ PHE 4 -13.069 -9.864 -6.396
27 H ARG 5 H ARG 5 -16.518 -6.955 -11.336
28 HA ARG 5 HA ARG 5 -14.656 -5.004 -10.225
29 1HB ARG 5 2HB ARG 5 -15.361 -4.800 -12.990
30 2HB ARG 5 1HB ARG 5 -16.348 -3.589 -12.207
31 1HG ARG 5 2HG ARG 5 -14.258 -2.707 -11.077
32 2HG ARG 5 1HG ARG 5 -13.321 -3.870 -11.997
33 1HD ARG 5 2HD ARG 5 -13.247 -1.778 -13.226
34 2HD ARG 5 1HD ARG 5 -14.326 -2.844 -14.123
35 HE ARG 5 HE ARG 5 -15.842 -1.338 -12.216
36 1HH1 ARG 5 2HH1 ARG 5 -14.100 -1.006 -15.194
37 2HH1 ARG 5 1HH1 ARG 5 -15.056 0.329 -15.739
38 1HH2 ARG 5 1HH2 ARG 5 -17.068 0.351 -12.885
39 2HH2 ARG 5 2HH2 ARG 5 -16.765 1.112 -14.412
40 H HIS 6 H HIS 6 -16.904 -6.617 -9.434
41 HA HIS 6 HA HIS 6 -18.311 -4.658 -7.831
42 1HB HIS 6 2HB HIS 6 -19.520 -4.848 -10.205
43 2HB HIS 6 1HB HIS 6 -20.107 -6.388 -9.603
44 HD1 HIS 6 HD1 HIS 6 -20.906 -5.742 -6.808
45 HD2 HIS 6 HD2 HIS 6 -21.532 -3.048 -9.810
46 HE1 HIS 6 HE1 HIS 6 -22.690 -4.232 -6.023
47 H ASP 7 H ASP 7 -16.626 -6.547 -7.077
48 HA ASP 7 HA ASP 7 -17.696 -9.102 -6.462
49 1HB ASP 7 2HB ASP 7 -15.740 -9.252 -4.955
50 2HB ASP 7 1HB ASP 7 -15.288 -8.558 -6.498
51 H SER 8 H SER 8 -18.759 -9.877 -4.726
52 HA SER 8 HA SER 8 -20.335 -8.077 -3.125
53 1HB SER 8 2HB SER 8 -21.121 -10.373 -3.846
54 2HB SER 8 1HB SER 8 -19.920 -11.101 -2.769
55 HG SER 8 HG SER 8 -21.215 -10.686 -1.189
56 H GLY 9 H GLY 9 -18.675 -6.834 -2.178
57 1HA GLY 9 2HA GLY 9 -18.124 -7.047 0.458
58 2HA GLY 9 1HA GLY 9 -16.825 -8.023 -0.229
59 H TYR 10 H TYR 10 -17.418 -5.817 -2.552
60 HA TYR 10 HA TYR 10 -15.023 -4.383 -2.240
61 1HB TYR 10 2HB TYR 10 -16.366 -4.538 -4.380
62 2HB TYR 10 1HB TYR 10 -17.527 -3.416 -3.698
63 HD1 TYR 10 HD2 TYR 10 -16.848 -1.048 -3.219
64 HD2 TYR 10 HD1 TYR 10 -14.168 -3.750 -5.139
65 HE1 TYR 10 HE2 TYR 10 -15.452 0.830 -3.918
66 HE2 TYR 10 HE1 TYR 10 -12.779 -1.864 -5.836
67 HH TYR 10 HH TYR 10 -12.819 1.039 -4.532
68 H GLU 11 H GLU 11 -14.480 -2.483 -1.403
69 HA GLU 11 HA GLU 11 -16.313 -0.534 -0.310
70 1HB GLU 11 2HB GLU 11 -15.574 -0.837 2.101
71 2HB GLU 11 1HB GLU 11 -16.545 -2.163 1.503
72 1HG GLU 11 2HG GLU 11 -14.272 -3.336 0.929
73 2HG GLU 11 1HG GLU 11 -13.532 -2.099 1.930
74 H VAL 12 H VAL 12 -13.329 -1.524 -1.391
75 HA VAL 12 HA VAL 12 -11.653 0.441 -0.133
76 HB VAL 12 HB VAL 12 -10.002 -0.256 -1.921
77 1HG1 VAL 12 2HG1 VAL 12 -10.157 -1.513 0.206
78 2HG1 VAL 12 1HG1 VAL 12 -11.363 -2.575 -0.508
79 3HG1 VAL 12 3HG1 VAL 12 -9.720 -2.561 -1.130
80 1HG2 VAL 12 2HG2 VAL 12 -12.255 -2.070 -2.873
81 2HG2 VAL 12 1HG2 VAL 12 -11.581 -0.706 -3.756
82 3HG2 VAL 12 3HG2 VAL 12 -10.594 -2.116 -3.436
83 H HIS 13 H HIS 13 -10.271 1.647 -1.761
84 HA HIS 13 HA HIS 13 -11.700 3.127 -3.864
85 1HB HIS 13 2HB HIS 13 -12.335 4.343 -1.752
86 2HB HIS 13 1HB HIS 13 -10.631 4.529 -1.350
87 HD1 HIS 13 HD1 HIS 13 -9.469 6.453 -2.511
88 HD2 HIS 13 HD2 HIS 13 -13.173 5.823 -4.109
89 HE1 HIS 13 HE1 HIS 13 -9.902 8.348 -4.032
90 H HIS 14 H HIS 14 -10.187 2.244 -5.132
91 HA HIS 14 HA HIS 14 -8.237 1.992 -6.305
92 1HB HIS 14 2HB HIS 14 -7.367 4.553 -4.946
93 2HB HIS 14 1HB HIS 14 -6.922 4.023 -6.568
94 HD1 HIS 14 HD1 HIS 14 -8.602 6.654 -5.674
95 HD2 HIS 14 HD2 HIS 14 -10.096 3.349 -7.542
96 HE1 HIS 14 HE1 HIS 14 -10.675 7.369 -6.795
97 H GLN 15 H GLN 15 -8.409 0.922 -3.609
98 HA GLN 15 HA GLN 15 -5.977 1.084 -2.156
99 1HB GLN 15 2HB GLN 15 -7.907 -0.058 -1.208
100 2HB GLN 15 1HB GLN 15 -7.992 -1.179 -2.552
101 1HG GLN 15 2HG GLN 15 -5.407 -1.158 -1.027
102 2HG GLN 15 1HG GLN 15 -6.809 -1.760 -0.155
103 1HE2 GLN 15 2HE2 GLN 15 -5.164 -4.025 -3.083
104 2HE2 GLN 15 1HE2 GLN 15 -4.521 -2.509 -2.671
105 H LYS 16 H LYS 16 -6.930 -0.705 -4.975
106 HA LYS 16 HA LYS 16 -4.803 -2.473 -5.286
107 1HB LYS 16 2HB LYS 16 -6.823 -2.435 -6.746
108 2HB LYS 16 1HB LYS 16 -6.307 -0.914 -7.441
109 1HG LYS 16 2HG LYS 16 -5.788 -2.893 -8.897
110 2HG LYS 16 1HG LYS 16 -4.360 -1.970 -8.480
111 1HD LYS 16 2HD LYS 16 -3.606 -3.587 -6.911
112 2HD LYS 16 1HD LYS 16 -5.187 -4.332 -6.768
113 1HE LYS 16 2HE LYS 16 -3.558 -4.382 -9.349
114 2HE LYS 16 1HE LYS 16 -3.499 -5.664 -8.148
115 1HZ LYS 16 3HZ LYS 16 -6.180 -5.096 -8.682
116 2HZ LYS 16 2HZ LYS 16 -5.378 -5.271 -10.168
117 3HZ LYS 16 1HZ LYS 16 -5.312 -6.516 -9.016
118 H LEU 17 H LEU 17 -4.962 0.881 -6.486
119 HA LEU 17 HA LEU 17 -2.300 0.823 -7.572
120 1HB LEU 17 2HB LEU 17 -2.788 2.953 -8.286
121 2HB LEU 17 1HB LEU 17 -4.410 2.497 -7.844
122 HG LEU 17 HG LEU 17 -3.998 3.552 -5.577
123 1HD1 LEU 17 2HD1 LEU 17 -1.321 3.958 -6.782
124 2HD1 LEU 17 1HD1 LEU 17 -2.009 5.497 -6.322
125 3HD1 LEU 17 3HD1 LEU 17 -1.817 4.238 -5.125
126 1HD2 LEU 17 2HD2 LEU 17 -5.190 4.595 -7.630
127 2HD2 LEU 17 1HD2 LEU 17 -4.631 5.719 -6.402
128 3HD2 LEU 17 3HD2 LEU 17 -3.719 5.509 -7.890
129 H VAL 18 H VAL 18 -3.619 1.868 -4.438
130 HA VAL 18 HA VAL 18 -1.293 2.949 -3.279
131 HB VAL 18 HB VAL 18 -3.689 1.405 -2.171
132 1HG1 VAL 18 2HG1 VAL 18 -1.356 2.515 -0.643
133 2HG1 VAL 18 1HG1 VAL 18 -2.972 2.510 0.061
134 3HG1 VAL 18 3HG1 VAL 18 -2.230 1.000 -0.427
135 1HG2 VAL 18 1HG2 VAL 18 -4.084 3.651 -3.171
136 2HG2 VAL 18 3HG2 VAL 18 -4.424 3.636 -1.451
137 3HG2 VAL 18 2HG2 VAL 18 -2.931 4.348 -2.044
138 H PHE 19 H PHE 19 -2.416 -0.390 -3.238
139 HA PHE 19 HA PHE 19 -0.226 -1.615 -1.929
140 1HB PHE 19 2HB PHE 19 -2.368 -2.563 -3.850
141 2HB PHE 19 1HB PHE 19 -1.068 -3.660 -3.426
142 HD1 PHE 19 HD1 PHE 19 -2.567 -1.123 -1.088
143 HD2 PHE 19 HD2 PHE 19 -2.315 -5.245 -2.170
144 HE1 PHE 19 HE1 PHE 19 -3.719 -1.738 0.972
145 HE2 PHE 19 HE2 PHE 19 -3.474 -5.848 -0.099
146 HZ PHE 19 HZ PHE 19 -4.179 -4.099 1.478
147 H PHE 20 H PHE 20 -0.859 -1.154 -5.364
148 HA PHE 20 HA PHE 20 1.412 -2.326 -6.475
149 1HB PHE 20 2HB PHE 20 0.037 -1.625 -8.187
150 2HB PHE 20 1HB PHE 20 -0.626 -0.316 -7.250
151 HD1 PHE 20 HD1 PHE 20 2.327 -1.304 -9.255
152 HD2 PHE 20 HD2 PHE 20 0.067 1.963 -7.705
153 HE1 PHE 20 HE1 PHE 20 3.647 0.254 -10.596
154 HE2 PHE 20 HE2 PHE 20 1.382 3.509 -9.032
155 HZ PHE 20 HZ PHE 20 3.185 2.674 -10.496
156 H ALA 21 H ALA 21 1.029 1.039 -5.404
157 HA ALA 21 HA ALA 21 3.630 1.998 -5.875
158 1HB ALA 21 3HB ALA 21 1.529 3.249 -4.960
159 2HB ALA 21 2HB ALA 21 2.043 2.719 -3.369
160 3HB ALA 21 1HB ALA 21 3.083 3.763 -4.324
161 H GLU 22 H GLU 22 2.453 0.423 -2.944
162 HA GLU 22 HA GLU 22 4.912 0.440 -1.500
163 1HB GLU 22 2HB GLU 22 2.731 -1.716 -1.503
164 2HB GLU 22 1HB GLU 22 3.990 -1.601 -0.296
165 1HG GLU 22 2HG GLU 22 3.022 0.185 0.787
166 2HG GLU 22 1HG GLU 22 2.427 0.916 -0.691
167 H ASP 23 H ASP 23 3.606 -1.966 -3.693
168 HA ASP 23 HA ASP 23 5.654 -3.865 -3.686
169 1HB ASP 23 2HB ASP 23 3.295 -3.633 -5.005
170 2HB ASP 23 1HB ASP 23 4.342 -3.132 -6.297
171 H VAL 24 H VAL 24 5.244 -1.119 -5.773
172 HA VAL 24 HA VAL 24 7.513 -1.184 -7.378
173 HB VAL 24 HB VAL 24 6.035 1.219 -6.199
174 1HG1 VAL 24 3HG1 VAL 24 7.720 1.067 -8.678
175 2HG1 VAL 24 2HG1 VAL 24 6.675 2.408 -8.206
176 3HG1 VAL 24 1HG1 VAL 24 8.061 1.994 -7.207
177 1HG2 VAL 24 1HG2 VAL 24 4.994 -0.836 -7.762
178 2HG2 VAL 24 3HG2 VAL 24 4.344 0.785 -7.622
179 3HG2 VAL 24 2HG2 VAL 24 5.420 0.373 -8.951
180 H GLY 25 H GLY 25 7.098 0.368 -4.279
181 1HA GLY 25 2HA GLY 25 9.710 1.430 -3.900
182 2HA GLY 25 1HA GLY 25 8.665 0.913 -2.571
183 H SER 26 H SER 26 8.419 -1.632 -2.746
184 HA SER 26 HA SER 26 10.743 -2.826 -1.716
185 1HB SER 26 2HB SER 26 8.606 -4.428 -3.218
186 2HB SER 26 1HB SER 26 9.535 -4.922 -1.798
187 HG SER 26 HG SER 26 7.272 -3.480 -1.935
188 H ASN 27 H ASN 27 9.467 -3.033 -4.958
189 HA ASN 27 HA ASN 27 11.315 -4.694 -6.197
190 1HB ASN 27 2HB ASN 27 9.504 -2.457 -7.114
191 2HB ASN 27 1HB ASN 27 10.721 -2.997 -8.244
192 1HD2 ASN 27 1HD2 ASN 27 7.606 -3.605 -7.079
193 2HD2 ASN 27 2HD2 ASN 27 7.405 -5.169 -7.703
194 H LYS 28 H LYS 28 11.480 -1.151 -6.160
195 HA LYS 28 HA LYS 28 13.955 -0.803 -7.403
196 1HB LYS 28 2HB LYS 28 12.170 0.788 -5.890
197 2HB LYS 28 1HB LYS 28 13.659 0.911 -4.983
198 1HG LYS 28 2HG LYS 28 13.481 1.346 -7.990
199 2HG LYS 28 1HG LYS 28 13.298 2.639 -6.826
200 1HD LYS 28 2HD LYS 28 15.558 2.872 -6.765
201 2HD LYS 28 1HD LYS 28 15.674 1.294 -6.016
202 1HE LYS 28 2HE LYS 28 15.701 0.250 -8.311
203 2HE LYS 28 1HE LYS 28 15.717 1.864 -9.007
204 1HZ LYS 28 1HZ LYS 28 17.712 1.731 -7.060
205 2HZ LYS 28 3HZ LYS 28 17.859 0.364 -8.058
206 3HZ LYS 28 2HZ LYS 28 17.880 1.919 -8.740
207 H GLY 29 H GLY 29 13.417 -1.501 -3.974
208 1HA GLY 29 2HA GLY 29 16.117 -1.519 -3.107
209 2HA GLY 29 1HA GLY 29 14.837 -2.494 -2.379
210 H ALA 30 H ALA 30 14.132 -4.269 -4.116
211 HA ALA 30 HA ALA 30 16.169 -6.246 -4.133
212 1HB ALA 30 3HB ALA 30 13.705 -6.717 -4.356
213 2HB ALA 30 2HB ALA 30 13.747 -6.081 -5.993
214 3HB ALA 30 1HB ALA 30 14.639 -7.542 -5.594
215 H ILE 31 H ILE 31 15.098 -4.162 -6.723
216 HA ILE 31 HA ILE 31 16.606 -5.036 -8.873
217 HB ILE 31 HB ILE 31 15.366 -2.433 -7.933
218 1HG1 ILE 31 2HG1 ILE 31 14.866 -4.266 -10.288
219 2HG1 ILE 31 1HG1 ILE 31 13.987 -4.289 -8.786
220 1HG2 ILE 31 3HG2 ILE 31 16.960 -2.624 -10.501
221 2HG2 ILE 31 2HG2 ILE 31 15.860 -1.317 -10.076
222 3HG2 ILE 31 1HG2 ILE 31 17.299 -1.579 -9.121
223 1HD1 ILE 31 2HD1 ILE 31 13.441 -1.771 -9.282
224 2HD1 ILE 31 1HD1 ILE 31 13.894 -2.171 -10.932
225 3HD1 ILE 31 3HD1 ILE 31 12.568 -3.016 -10.155
226 H ILE 32 H ILE 32 17.494 -2.537 -6.492
227 HA ILE 32 HA ILE 32 20.109 -2.061 -7.449
228 HB ILE 32 HB ILE 32 19.138 -2.102 -4.534
229 1HG1 ILE 32 2HG1 ILE 32 19.438 0.332 -6.341
230 2HG1 ILE 32 1HG1 ILE 32 17.950 -0.573 -6.304
231 1HG2 ILE 32 1HG2 ILE 32 21.603 -0.814 -5.803
232 2HG2 ILE 32 3HG2 ILE 32 21.048 -0.453 -4.177
233 3HG2 ILE 32 2HG2 ILE 32 21.592 -2.069 -4.576
234 1HD1 ILE 32 2HD1 ILE 32 17.939 -0.253 -3.754
235 2HD1 ILE 32 1HD1 ILE 32 19.229 0.915 -3.997
236 3HD1 ILE 32 3HD1 ILE 32 17.653 1.186 -4.715
237 H GLY 33 H GLY 33 19.015 -4.444 -5.099
238 1HA GLY 33 2HA GLY 33 21.496 -5.693 -4.533
239 2HA GLY 33 1HA GLY 33 19.944 -6.537 -4.490
240 H LEU 34 H LEU 34 19.135 -6.556 -7.019
241 HA LEU 34 HA LEU 34 20.562 -8.648 -8.264
242 1HB LEU 34 2HB LEU 34 18.576 -6.625 -9.388
243 2HB LEU 34 1HB LEU 34 19.168 -7.964 -10.344
244 HG LEU 34 HG LEU 34 18.039 -8.579 -7.600
245 1HD1 LEU 34 2HD1 LEU 34 16.401 -7.834 -10.053
246 2HD1 LEU 34 1HD1 LEU 34 15.755 -8.815 -8.747
247 3HD1 LEU 34 3HD1 LEU 34 16.274 -7.173 -8.431
248 1HD2 LEU 34 1HD2 LEU 34 19.080 -10.361 -9.045
249 2HD2 LEU 34 3HD2 LEU 34 17.384 -10.672 -8.723
250 3HD2 LEU 34 2HD2 LEU 34 17.877 -10.030 -10.282
251 H MET 35 H MET 35 20.632 -5.182 -8.975
252 HA MET 35 HA MET 35 22.381 -5.231 -11.174
253 1HB MET 35 2HB MET 35 22.028 -3.155 -8.969
254 2HB MET 35 1HB MET 35 23.056 -2.880 -10.360
255 1HG MET 35 2HG MET 35 21.182 -3.192 -11.880
256 2HG MET 35 1HG MET 35 20.130 -3.635 -10.569
257 1HE MET 35 2HE MET 35 22.430 -0.830 -11.894
258 2HE MET 35 1HE MET 35 21.053 -0.982 -12.986
259 3HE MET 35 3HE MET 35 21.272 0.492 -12.043
260 H VAL 36 H VAL 36 23.133 -4.825 -7.790
261 HA VAL 36 HA VAL 36 25.944 -4.819 -7.889
262 HB VAL 36 HB VAL 36 23.985 -5.800 -5.741
263 1HG1 VAL 36 2HG1 VAL 36 27.018 -5.498 -5.578
264 2HG1 VAL 36 1HG1 VAL 36 25.982 -5.538 -4.159
265 3HG1 VAL 36 3HG1 VAL 36 26.071 -6.934 -5.215
266 1HG2 VAL 36 1HG2 VAL 36 24.006 -3.349 -6.379
267 2HG2 VAL 36 3HG2 VAL 36 24.439 -3.644 -4.706
268 3HG2 VAL 36 2HG2 VAL 36 25.688 -3.279 -5.885
269 H GLY 37 H GLY 37 23.764 -7.558 -7.457
270 1HA GLY 37 2HA GLY 37 25.554 -9.681 -7.252
271 2HA GLY 37 1HA GLY 37 23.956 -9.814 -7.972
272 H GLY 38 H GLY 38 24.020 -8.614 -10.291
273 1HA GLY 38 2HA GLY 38 26.459 -8.999 -11.816
274 2HA GLY 38 1HA GLY 38 25.331 -10.323 -12.068
275 H VAL 39 H VAL 39 23.271 -7.914 -11.593
276 HA VAL 39 HA VAL 39 22.995 -7.373 -14.474
277 HB VAL 39 HB VAL 39 21.051 -6.513 -12.267
278 1HG1 VAL 39 2HG1 VAL 39 20.699 -7.229 -15.216
279 2HG1 VAL 39 1HG1 VAL 39 19.383 -6.830 -14.125
280 3HG1 VAL 39 3HG1 VAL 39 20.580 -5.619 -14.530
281 1HG2 VAL 39 2HG2 VAL 39 21.254 -9.252 -13.592
282 2HG2 VAL 39 1HG2 VAL 39 21.377 -8.909 -11.874
283 3HG2 VAL 39 3HG2 VAL 39 19.846 -8.698 -12.699
284 H VAL 40 H VAL 40 25.109 -6.217 -13.001
285 HA VAL 40 HA VAL 40 24.917 -3.641 -12.042
286 HB VAL 40 HB VAL 40 27.080 -4.664 -13.950
287 1HG1 VAL 40 1HG1 VAL 40 27.073 -2.411 -11.891
288 2HG1 VAL 40 3HG1 VAL 40 28.531 -3.040 -12.643
289 3HG1 VAL 40 2HG1 VAL 40 27.310 -2.253 -13.625
290 1HG2 VAL 40 1HG2 VAL 40 26.735 -6.190 -11.991
291 2HG2 VAL 40 3HG2 VAL 40 28.277 -5.365 -11.903
292 3HG2 VAL 40 2HG2 VAL 40 26.942 -4.824 -10.903
No H/Q in entry = 292
Start of MODEL 5
1 1H ASP 1 2H ASP 1 -18.771 -9.373 9.948
2 2H ASP 1 1H ASP 1 -19.292 -9.436 8.335
3 3H ASP 1 3H ASP 1 -19.964 -10.489 9.487
4 HA ASP 1 HA ASP 1 -18.427 -11.992 9.103
5 1HB ASP 1 2HB ASP 1 -17.000 -11.712 7.108
6 2HB ASP 1 1HB ASP 1 -18.561 -10.992 6.775
7 H ALA 2 H ALA 2 -15.650 -11.694 8.477
8 HA ALA 2 HA ALA 2 -14.599 -11.259 11.150
9 1HB ALA 2 3HB ALA 2 -13.298 -11.919 8.481
10 2HB ALA 2 2HB ALA 2 -12.390 -11.785 9.983
11 3HB ALA 2 1HB ALA 2 -13.622 -13.024 9.804
12 H GLU 3 H GLU 3 -14.780 -9.163 11.723
13 HA GLU 3 HA GLU 3 -13.764 -7.006 9.961
14 1HB GLU 3 2HB GLU 3 -15.558 -7.242 12.356
15 2HB GLU 3 1HB GLU 3 -14.599 -5.780 12.307
16 1HG GLU 3 2HG GLU 3 -16.827 -5.521 11.173
17 2HG GLU 3 1HG GLU 3 -15.473 -5.171 10.118
18 H PHE 4 H PHE 4 -11.819 -8.398 10.241
19 HA PHE 4 HA PHE 4 -9.900 -6.997 11.994
20 1HB PHE 4 2HB PHE 4 -10.188 -10.059 11.893
21 2HB PHE 4 1HB PHE 4 -8.907 -9.193 12.730
22 HD1 PHE 4 HD1 PHE 4 -9.457 -7.793 14.746
23 HD2 PHE 4 HD2 PHE 4 -12.399 -10.226 12.846
24 HE1 PHE 4 HE1 PHE 4 -10.896 -7.606 16.724
25 HE2 PHE 4 HE2 PHE 4 -13.832 -10.034 14.826
26 HZ PHE 4 HZ PHE 4 -13.084 -8.725 16.767
27 H ARG 5 H ARG 5 -10.146 -6.350 9.608
28 HA ARG 5 HA ARG 5 -9.181 -6.100 7.521
29 1HB ARG 5 2HB ARG 5 -6.904 -7.764 8.731
30 2HB ARG 5 1HB ARG 5 -6.792 -6.740 7.315
31 1HG ARG 5 2HG ARG 5 -7.301 -4.738 8.667
32 2HG ARG 5 1HG ARG 5 -7.470 -5.727 10.107
33 1HD ARG 5 2HD ARG 5 -5.138 -6.400 10.030
34 2HD ARG 5 1HD ARG 5 -4.897 -5.646 8.460
35 HE ARG 5 HE ARG 5 -4.966 -4.302 11.052
36 1HH1 ARG 5 2HH1 ARG 5 -5.409 -3.952 7.628
37 2HH1 ARG 5 1HH1 ARG 5 -5.082 -2.253 7.648
38 1HH2 ARG 5 1HH2 ARG 5 -4.561 -2.149 11.097
39 2HH2 ARG 5 2HH2 ARG 5 -4.600 -1.215 9.639
40 H HIS 6 H HIS 6 -11.009 -8.222 7.807
41 HA HIS 6 HA HIS 6 -10.204 -9.895 5.533
42 1HB HIS 6 2HB HIS 6 -9.535 -11.275 7.459
43 2HB HIS 6 1HB HIS 6 -11.059 -10.971 8.270
44 HD1 HIS 6 HD1 HIS 6 -11.625 -11.689 4.779
45 HD2 HIS 6 HD2 HIS 6 -11.149 -13.950 8.144
46 HE1 HIS 6 HE1 HIS 6 -12.479 -13.934 4.231
47 H ASP 7 H ASP 7 -11.697 -8.325 4.662
48 HA ASP 7 HA ASP 7 -14.440 -8.143 5.374
49 1HB ASP 7 2HB ASP 7 -14.618 -6.966 3.205
50 2HB ASP 7 1HB ASP 7 -13.195 -6.442 4.074
51 H SER 8 H SER 8 -15.691 -8.466 2.863
52 HA SER 8 HA SER 8 -15.504 -11.299 2.127
53 1HB SER 8 2HB SER 8 -17.105 -11.137 4.136
54 2HB SER 8 1HB SER 8 -18.158 -10.112 3.148
55 HG SER 8 HG SER 8 -18.787 -11.842 2.170
56 H GLY 9 H GLY 9 -14.670 -9.844 0.387
57 1HA GLY 9 2HA GLY 9 -14.918 -9.263 -1.872
58 2HA GLY 9 1HA GLY 9 -16.630 -9.662 -1.757
59 H TYR 10 H TYR 10 -14.847 -7.398 0.230
60 HA TYR 10 HA TYR 10 -16.775 -5.275 -0.169
61 1HB TYR 10 2HB TYR 10 -15.770 -5.342 1.985
62 2HB TYR 10 1HB TYR 10 -14.157 -5.555 1.331
63 HD1 TYR 10 HD1 TYR 10 -16.936 -3.048 1.509
64 HD2 TYR 10 HD2 TYR 10 -12.751 -3.686 1.030
65 HE1 TYR 10 HE1 TYR 10 -16.549 -0.632 1.629
66 HE2 TYR 10 HE2 TYR 10 -12.370 -1.272 1.150
67 HH TYR 10 HH TYR 10 -14.029 0.789 2.379
68 H GLU 11 H GLU 11 -16.715 -3.613 -1.533
69 HA GLU 11 HA GLU 11 -14.740 -3.565 -3.686
70 1HB GLU 11 2HB GLU 11 -17.078 -3.067 -4.212
71 2HB GLU 11 1HB GLU 11 -17.131 -1.780 -3.026
72 1HG GLU 11 2HG GLU 11 -14.961 -1.419 -5.052
73 2HG GLU 11 1HG GLU 11 -16.561 -1.467 -5.755
74 H VAL 12 H VAL 12 -13.018 -2.274 -3.830
75 HA VAL 12 HA VAL 12 -12.452 -0.375 -1.622
76 HB VAL 12 HB VAL 12 -10.083 -0.570 -2.492
77 1HG1 VAL 12 2HG1 VAL 12 -11.438 -3.166 -1.643
78 2HG1 VAL 12 1HG1 VAL 12 -9.714 -2.838 -1.523
79 3HG1 VAL 12 3HG1 VAL 12 -10.853 -1.911 -0.562
80 1HG2 VAL 12 3HG2 VAL 12 -10.689 -1.316 -4.814
81 2HG2 VAL 12 2HG2 VAL 12 -9.494 -2.343 -4.047
82 3HG2 VAL 12 1HG2 VAL 12 -11.164 -2.874 -4.156
83 H HIS 13 H HIS 13 -11.234 1.444 -2.204
84 HA HIS 13 HA HIS 13 -12.465 2.923 -4.447
85 1HB HIS 13 2HB HIS 13 -11.285 3.612 -1.831
86 2HB HIS 13 1HB HIS 13 -10.674 4.670 -3.089
87 HD1 HIS 13 HD1 HIS 13 -12.294 6.423 -3.866
88 HD2 HIS 13 HD2 HIS 13 -14.227 3.547 -1.705
89 HE1 HIS 13 HE1 HIS 13 -14.607 7.225 -3.550
90 H HIS 14 H HIS 14 -9.185 3.199 -3.257
91 HA HIS 14 HA HIS 14 -8.114 2.515 -5.951
92 1HB HIS 14 2HB HIS 14 -6.730 4.762 -4.476
93 2HB HIS 14 1HB HIS 14 -6.998 4.565 -6.198
94 HD1 HIS 14 HD1 HIS 14 -8.291 6.422 -3.424
95 HD2 HIS 14 HD2 HIS 14 -9.832 5.109 -6.966
96 HE1 HIS 14 HE1 HIS 14 -10.335 7.742 -3.821
97 H GLN 15 H GLN 15 -8.300 1.292 -3.265
98 HA GLN 15 HA GLN 15 -5.775 1.134 -1.980
99 1HB GLN 15 2HB GLN 15 -8.078 -0.825 -2.276
100 2HB GLN 15 1HB GLN 15 -6.638 -1.294 -1.415
101 1HG GLN 15 2HG GLN 15 -8.026 -0.456 0.307
102 2HG GLN 15 1HG GLN 15 -6.932 0.878 -0.009
103 1HE2 GLN 15 2HE2 GLN 15 -9.481 2.953 -1.444
104 2HE2 GLN 15 1HE2 GLN 15 -7.808 2.667 -1.436
105 H LYS 16 H LYS 16 -7.009 -0.337 -4.844
106 HA LYS 16 HA LYS 16 -5.107 -2.354 -5.335
107 1HB LYS 16 2HB LYS 16 -5.662 -1.895 -7.818
108 2HB LYS 16 1HB LYS 16 -7.007 -2.278 -6.775
109 1HG LYS 16 2HG LYS 16 -8.020 -0.399 -7.530
110 2HG LYS 16 1HG LYS 16 -6.889 0.529 -6.578
111 1HD LYS 16 2HD LYS 16 -5.293 0.355 -8.637
112 2HD LYS 16 1HD LYS 16 -6.708 -0.187 -9.517
113 1HE LYS 16 2HE LYS 16 -7.881 1.882 -9.108
114 2HE LYS 16 1HE LYS 16 -6.714 2.390 -7.895
115 1HZ LYS 16 2HZ LYS 16 -5.341 1.873 -10.270
116 2HZ LYS 16 1HZ LYS 16 -6.669 2.868 -10.631
117 3HZ LYS 16 3HZ LYS 16 -5.542 3.350 -9.456
118 H LEU 17 H LEU 17 -5.012 1.019 -6.469
119 HA LEU 17 HA LEU 17 -2.378 0.778 -7.591
120 1HB LEU 17 2HB LEU 17 -2.675 2.977 -8.245
121 2HB LEU 17 1HB LEU 17 -4.333 2.583 -7.890
122 HG LEU 17 HG LEU 17 -3.900 3.538 -5.527
123 1HD1 LEU 17 2HD1 LEU 17 -1.255 3.974 -6.770
124 2HD1 LEU 17 1HD1 LEU 17 -1.945 5.501 -6.263
125 3HD1 LEU 17 3HD1 LEU 17 -1.729 4.211 -5.102
126 1HD2 LEU 17 1HD2 LEU 17 -5.206 4.620 -7.418
127 2HD2 LEU 17 3HD2 LEU 17 -4.485 5.764 -6.299
128 3HD2 LEU 17 2HD2 LEU 17 -3.742 5.476 -7.865
129 H VAL 18 H VAL 18 -3.579 1.804 -4.413
130 HA VAL 18 HA VAL 18 -1.205 2.796 -3.289
131 HB VAL 18 HB VAL 18 -3.539 1.218 -2.103
132 1HG1 VAL 18 1HG1 VAL 18 -1.205 2.498 -0.675
133 2HG1 VAL 18 3HG1 VAL 18 -2.742 2.145 0.112
134 3HG1 VAL 18 2HG1 VAL 18 -1.776 0.836 -0.552
135 1HG2 VAL 18 2HG2 VAL 18 -3.946 3.533 -3.067
136 2HG2 VAL 18 1HG2 VAL 18 -4.317 3.400 -1.358
137 3HG2 VAL 18 3HG2 VAL 18 -2.825 4.169 -1.877
138 H PHE 19 H PHE 19 -2.400 -0.542 -3.275
139 HA PHE 19 HA PHE 19 -0.191 -1.811 -2.069
140 1HB PHE 19 2HB PHE 19 -1.908 -2.958 -4.322
141 2HB PHE 19 1HB PHE 19 -0.991 -3.886 -3.151
142 HD1 PHE 19 HD2 PHE 19 -1.790 -2.094 -0.678
143 HD2 PHE 19 HD1 PHE 19 -4.036 -3.918 -3.815
144 HE1 PHE 19 HE2 PHE 19 -3.756 -2.175 0.769
145 HE2 PHE 19 HE1 PHE 19 -6.001 -3.993 -2.353
146 HZ PHE 19 HZ PHE 19 -5.865 -3.123 -0.058
147 H PHE 20 H PHE 20 -0.837 -1.246 -5.481
148 HA PHE 20 HA PHE 20 1.461 -2.362 -6.617
149 1HB PHE 20 2HB PHE 20 0.122 -1.644 -8.343
150 2HB PHE 20 1HB PHE 20 -0.626 -0.408 -7.372
151 HD1 PHE 20 HD1 PHE 20 2.519 -1.134 -9.240
152 HD2 PHE 20 HD2 PHE 20 -0.148 1.893 -7.861
153 HE1 PHE 20 HE1 PHE 20 3.762 0.548 -10.499
154 HE2 PHE 20 HE2 PHE 20 1.092 3.563 -9.106
155 HZ PHE 20 HZ PHE 20 3.062 2.910 -10.443
156 H ALA 21 H ALA 21 1.027 0.997 -5.549
157 HA ALA 21 HA ALA 21 3.645 1.948 -5.983
158 1HB ALA 21 2HB ALA 21 1.685 2.685 -3.754
159 2HB ALA 21 1HB ALA 21 3.100 3.633 -4.180
160 3HB ALA 21 3HB ALA 21 1.790 3.439 -5.332
161 H GLU 22 H GLU 22 2.382 0.411 -3.065
162 HA GLU 22 HA GLU 22 4.789 0.526 -1.539
163 1HB GLU 22 2HB GLU 22 2.827 -1.836 -1.485
164 2HB GLU 22 1HB GLU 22 3.883 -1.328 -0.188
165 1HG GLU 22 2HG GLU 22 1.251 -0.179 -1.033
166 2HG GLU 22 1HG GLU 22 1.892 -0.427 0.569
167 H ASP 23 H ASP 23 3.629 -1.984 -3.708
168 HA ASP 23 HA ASP 23 5.726 -3.828 -3.562
169 1HB ASP 23 2HB ASP 23 3.483 -3.877 -4.974
170 2HB ASP 23 1HB ASP 23 4.434 -3.112 -6.212
171 H VAL 24 H VAL 24 5.328 -1.164 -5.721
172 HA VAL 24 HA VAL 24 7.665 -1.194 -7.236
173 HB VAL 24 HB VAL 24 5.993 1.156 -6.252
174 1HG1 VAL 24 3HG1 VAL 24 7.832 0.979 -8.624
175 2HG1 VAL 24 2HG1 VAL 24 6.662 2.264 -8.323
176 3HG1 VAL 24 1HG1 VAL 24 8.002 2.028 -7.210
177 1HG2 VAL 24 2HG2 VAL 24 5.146 -1.032 -7.729
178 2HG2 VAL 24 1HG2 VAL 24 4.416 0.561 -7.733
179 3HG2 VAL 24 3HG2 VAL 24 5.573 0.113 -8.980
180 H GLY 25 H GLY 25 7.036 0.525 -4.269
181 1HA GLY 25 2HA GLY 25 9.617 1.693 -3.908
182 2HA GLY 25 1HA GLY 25 8.471 1.387 -2.607
183 H SER 26 H SER 26 8.272 -1.194 -2.379
184 HA SER 26 HA SER 26 10.778 -2.036 -1.231
185 1HB SER 26 2HB SER 26 8.399 -2.466 -0.306
186 2HB SER 26 1HB SER 26 8.297 -3.776 -1.493
187 HG SER 26 HG SER 26 9.564 -4.877 -0.252
188 H ASN 27 H ASN 27 9.688 -2.336 -4.394
189 HA ASN 27 HA ASN 27 10.389 -5.002 -5.025
190 1HB ASN 27 2HB ASN 27 10.067 -2.433 -6.547
191 2HB ASN 27 1HB ASN 27 11.071 -3.623 -7.337
192 1HD2 ASN 27 2HD2 ASN 27 7.357 -4.057 -8.117
193 2HD2 ASN 27 1HD2 ASN 27 8.326 -2.664 -8.060
194 H LYS 28 H LYS 28 12.386 -2.098 -5.242
195 HA LYS 28 HA LYS 28 14.801 -3.301 -6.042
196 1HB LYS 28 2HB LYS 28 13.984 -0.756 -5.107
197 2HB LYS 28 1HB LYS 28 15.197 -1.234 -3.942
198 1HG LYS 28 2HG LYS 28 15.628 -1.413 -6.945
199 2HG LYS 28 1HG LYS 28 16.015 0.021 -6.016
200 1HD LYS 28 2HD LYS 28 17.527 -1.344 -4.548
201 2HD LYS 28 1HD LYS 28 17.172 -2.762 -5.518
202 1HE LYS 28 2HE LYS 28 18.080 -1.539 -7.537
203 2HE LYS 28 1HE LYS 28 18.571 -0.234 -6.463
204 1HZ LYS 28 1HZ LYS 28 19.459 -2.653 -5.378
205 2HZ LYS 28 3HZ LYS 28 19.902 -2.614 -7.016
206 3HZ LYS 28 2HZ LYS 28 20.379 -1.358 -5.977
207 H GLY 29 H GLY 29 13.408 -3.080 -2.804
208 1HA GLY 29 2HA GLY 29 15.570 -4.163 -1.315
209 2HA GLY 29 1HA GLY 29 13.869 -4.288 -0.852
210 H ALA 30 H ALA 30 12.683 -5.831 -2.510
211 HA ALA 30 HA ALA 30 13.509 -8.485 -1.932
212 1HB ALA 30 3HB ALA 30 11.182 -7.838 -2.634
213 2HB ALA 30 2HB ALA 30 11.762 -7.552 -4.264
214 3HB ALA 30 1HB ALA 30 11.787 -9.178 -3.594
215 H ILE 31 H ILE 31 13.973 -6.601 -4.848
216 HA ILE 31 HA ILE 31 15.195 -8.455 -6.512
217 HB ILE 31 HB ILE 31 15.233 -5.443 -6.123
218 1HG1 ILE 31 2HG1 ILE 31 14.216 -7.236 -8.345
219 2HG1 ILE 31 1HG1 ILE 31 13.246 -6.600 -7.049
220 1HG2 ILE 31 2HG2 ILE 31 16.813 -6.800 -8.326
221 2HG2 ILE 31 1HG2 ILE 31 16.484 -5.077 -8.199
222 3HG2 ILE 31 3HG2 ILE 31 17.482 -5.856 -6.995
223 1HD1 ILE 31 1HD1 ILE 31 13.998 -4.237 -7.853
224 2HD1 ILE 31 3HD1 ILE 31 14.484 -5.054 -9.331
225 3HD1 ILE 31 2HD1 ILE 31 12.808 -5.096 -8.813
226 H ILE 32 H ILE 32 16.812 -6.157 -4.320
227 HA ILE 32 HA ILE 32 19.418 -7.149 -4.712
228 HB ILE 32 HB ILE 32 18.158 -5.975 -2.173
229 1HG1 ILE 32 2HG1 ILE 32 19.908 -4.515 -4.187
230 2HG1 ILE 32 1HG1 ILE 32 18.198 -4.653 -4.461
231 1HG2 ILE 32 2HG2 ILE 32 21.080 -6.407 -2.952
232 2HG2 ILE 32 1HG2 ILE 32 20.600 -5.313 -1.666
233 3HG2 ILE 32 3HG2 ILE 32 20.256 -7.024 -1.530
234 1HD1 ILE 32 2HD1 ILE 32 19.247 -3.573 -1.824
235 2HD1 ILE 32 1HD1 ILE 32 18.989 -2.537 -3.214
236 3HD1 ILE 32 3HD1 ILE 32 17.638 -3.404 -2.505
237 H GLY 33 H GLY 33 16.983 -8.136 -2.372
238 1HA GLY 33 2HA GLY 33 18.450 -10.099 -0.989
239 2HA GLY 33 1HA GLY 33 16.707 -10.171 -1.230
240 H LEU 34 H LEU 34 16.473 -10.571 -3.933
241 HA LEU 34 HA LEU 34 17.196 -13.343 -4.108
242 1HB LEU 34 2HB LEU 34 15.775 -13.430 -5.958
243 2HB LEU 34 1HB LEU 34 15.165 -12.033 -5.120
244 HG LEU 34 HG LEU 34 16.881 -10.741 -6.757
245 1HD1 LEU 34 3HD1 LEU 34 16.035 -13.214 -8.338
246 2HD1 LEU 34 2HD1 LEU 34 16.860 -11.811 -8.996
247 3HD1 LEU 34 1HD1 LEU 34 17.685 -12.858 -7.860
248 1HD2 LEU 34 2HD2 LEU 34 14.361 -10.470 -6.529
249 2HD2 LEU 34 1HD2 LEU 34 14.961 -10.246 -8.162
250 3HD2 LEU 34 3HD2 LEU 34 14.173 -11.750 -7.713
251 H MET 35 H MET 35 18.645 -10.488 -5.751
252 HA MET 35 HA MET 35 20.305 -12.149 -7.436
253 1HB MET 35 2HB MET 35 21.707 -10.098 -7.751
254 2HB MET 35 1HB MET 35 20.005 -9.748 -7.949
255 1HG MET 35 2HG MET 35 19.884 -8.876 -5.708
256 2HG MET 35 1HG MET 35 21.558 -9.250 -5.406
257 1HE MET 35 1HE MET 35 22.556 -7.175 -4.672
258 2HE MET 35 3HE MET 35 23.534 -7.807 -5.997
259 3HE MET 35 2HE MET 35 23.208 -6.079 -5.888
260 H VAL 36 H VAL 36 20.595 -10.920 -4.199
261 HA VAL 36 HA VAL 36 23.315 -11.621 -3.680
262 HB VAL 36 HB VAL 36 20.862 -11.057 -1.935
263 1HG1 VAL 36 2HG1 VAL 36 23.638 -11.899 -0.988
264 2HG1 VAL 36 1HG1 VAL 36 22.517 -11.008 0.029
265 3HG1 VAL 36 3HG1 VAL 36 22.093 -12.611 -0.542
266 1HG2 VAL 36 1HG2 VAL 36 22.189 -9.223 -3.188
267 2HG2 VAL 36 3HG2 VAL 36 21.988 -8.989 -1.460
268 3HG2 VAL 36 2HG2 VAL 36 23.516 -9.574 -2.097
269 H GLY 37 H GLY 37 20.301 -13.252 -2.668
270 1HA GLY 37 2HA GLY 37 21.713 -15.735 -2.029
271 2HA GLY 37 1HA GLY 37 19.981 -15.445 -1.891
272 H GLY 38 H GLY 38 18.768 -15.335 -3.898
273 1HA GLY 38 2HA GLY 38 19.704 -16.219 -6.439
274 2HA GLY 38 1HA GLY 38 19.108 -17.625 -5.548
275 H VAL 39 H VAL 39 16.966 -17.241 -4.471
276 HA VAL 39 HA VAL 39 15.102 -15.577 -6.067
277 HB VAL 39 HB VAL 39 14.539 -18.466 -5.179
278 1HG1 VAL 39 3HG1 VAL 39 13.100 -16.589 -7.119
279 2HG1 VAL 39 2HG1 VAL 39 12.645 -18.258 -6.823
280 3HG1 VAL 39 1HG1 VAL 39 12.509 -17.072 -5.540
281 1HG2 VAL 39 2HG2 VAL 39 15.493 -17.436 -7.888
282 2HG2 VAL 39 1HG2 VAL 39 16.288 -18.624 -6.868
283 3HG2 VAL 39 3HG2 VAL 39 14.775 -19.021 -7.659
284 H VAL 40 H VAL 40 16.034 -14.592 -4.042
285 HA VAL 40 HA VAL 40 15.710 -13.553 -2.018
286 HB VAL 40 HB VAL 40 12.893 -14.679 -2.405
287 1HG1 VAL 40 2HG1 VAL 40 13.973 -12.588 -0.458
288 2HG1 VAL 40 1HG1 VAL 40 12.265 -12.724 -0.844
289 3HG1 VAL 40 3HG1 VAL 40 13.091 -14.050 -0.052
290 1HG2 VAL 40 3HG2 VAL 40 14.169 -12.011 -3.112
291 2HG2 VAL 40 2HG2 VAL 40 13.500 -13.200 -4.224
292 3HG2 VAL 40 1HG2 VAL 40 12.437 -12.299 -3.162
No H/Q in entry = 292
Start of MODEL 6
1 1H ASP 1 2H ASP 1 -5.226 -12.788 0.973
2 2H ASP 1 1H ASP 1 -6.109 -12.833 2.422
3 3H ASP 1 3H ASP 1 -5.027 -14.089 2.044
4 HA ASP 1 HA ASP 1 -6.604 -15.208 1.036
5 1HB ASP 1 2HB ASP 1 -8.954 -14.403 1.197
6 2HB ASP 1 1HB ASP 1 -8.111 -14.053 2.692
7 H ALA 2 H ALA 2 -8.526 -14.786 -0.708
8 HA ALA 2 HA ALA 2 -8.906 -14.615 -2.966
9 1HB ALA 2 3HB ALA 2 -9.401 -12.296 -2.185
10 2HB ALA 2 2HB ALA 2 -7.737 -11.832 -2.510
11 3HB ALA 2 1HB ALA 2 -8.801 -12.289 -3.832
12 H GLU 3 H GLU 3 -6.276 -15.576 -2.213
13 HA GLU 3 HA GLU 3 -4.619 -14.847 -4.600
14 1HB GLU 3 2HB GLU 3 -2.760 -15.963 -3.345
15 2HB GLU 3 1HB GLU 3 -3.482 -14.658 -2.430
16 1HG GLU 3 2HG GLU 3 -5.012 -16.807 -1.552
17 2HG GLU 3 1HG GLU 3 -3.485 -17.595 -1.880
18 H PHE 4 H PHE 4 -6.806 -16.160 -5.136
19 HA PHE 4 HA PHE 4 -5.987 -18.958 -5.809
20 1HB PHE 4 2HB PHE 4 -8.929 -18.231 -5.592
21 2HB PHE 4 1HB PHE 4 -8.131 -19.753 -5.249
22 HD1 PHE 4 HD2 PHE 4 -6.363 -19.603 -3.205
23 HD2 PHE 4 HD1 PHE 4 -9.688 -16.988 -3.746
24 HE1 PHE 4 HE2 PHE 4 -6.316 -19.039 -0.820
25 HE2 PHE 4 HE1 PHE 4 -9.634 -16.430 -1.362
26 HZ PHE 4 HZ PHE 4 -7.949 -17.452 0.108
27 H ARG 5 H ARG 5 -5.028 -17.814 -7.567
28 HA ARG 5 HA ARG 5 -4.876 -17.087 -9.762
29 1HB ARG 5 2HB ARG 5 -7.385 -18.836 -9.833
30 2HB ARG 5 1HB ARG 5 -6.717 -18.149 -11.291
31 1HG ARG 5 2HG ARG 5 -5.260 -20.013 -9.367
32 2HG ARG 5 1HG ARG 5 -5.896 -20.459 -10.934
33 1HD ARG 5 2HD ARG 5 -3.521 -18.676 -10.324
34 2HD ARG 5 1HD ARG 5 -3.580 -20.098 -11.357
35 HE ARG 5 HE ARG 5 -5.295 -18.437 -12.659
36 1HH1 ARG 5 2HH1 ARG 5 -2.111 -17.955 -11.361
37 2HH1 ARG 5 1HH1 ARG 5 -1.696 -16.757 -12.538
38 1HH2 ARG 5 1HH2 ARG 5 -4.782 -16.926 -14.154
39 2HH2 ARG 5 2HH2 ARG 5 -3.227 -16.165 -14.141
40 H HIS 6 H HIS 6 -5.241 -15.000 -8.873
41 HA HIS 6 HA HIS 6 -6.293 -12.927 -8.651
42 1HB HIS 6 2HB HIS 6 -6.611 -11.959 -10.942
43 2HB HIS 6 1HB HIS 6 -5.163 -12.945 -10.850
44 HD1 HIS 6 HD1 HIS 6 -5.350 -15.288 -12.051
45 HD2 HIS 6 HD2 HIS 6 -8.603 -12.902 -12.688
46 HE1 HIS 6 HE1 HIS 6 -6.600 -16.298 -13.925
47 H ASP 7 H ASP 7 -8.208 -14.824 -7.849
48 HA ASP 7 HA ASP 7 -10.737 -14.524 -9.099
49 1HB ASP 7 2HB ASP 7 -11.600 -15.424 -6.944
50 2HB ASP 7 1HB ASP 7 -10.218 -16.338 -7.505
51 H SER 8 H SER 8 -12.605 -13.510 -8.107
52 HA SER 8 HA SER 8 -13.783 -11.557 -7.685
53 1HB SER 8 2HB SER 8 -13.509 -10.795 -5.361
54 2HB SER 8 1HB SER 8 -13.122 -12.516 -5.373
55 HG SER 8 HG SER 8 -11.174 -12.033 -4.839
56 H GLY 9 H GLY 9 -13.009 -9.164 -6.415
57 1HA GLY 9 2HA GLY 9 -10.744 -7.855 -7.489
58 2HA GLY 9 1HA GLY 9 -12.064 -7.639 -8.643
59 H TYR 10 H TYR 10 -14.163 -7.052 -7.525
60 HA TYR 10 HA TYR 10 -15.474 -5.503 -6.454
61 1HB TYR 10 2HB TYR 10 -14.867 -6.593 -4.373
62 2HB TYR 10 1HB TYR 10 -13.300 -5.808 -4.317
63 HD1 TYR 10 HD1 TYR 10 -16.921 -4.802 -4.601
64 HD2 TYR 10 HD2 TYR 10 -13.112 -3.981 -2.882
65 HE1 TYR 10 HE1 TYR 10 -17.886 -2.938 -3.346
66 HE2 TYR 10 HE2 TYR 10 -14.079 -2.118 -1.628
67 HH TYR 10 HH TYR 10 -16.289 -1.417 -0.788
68 H GLU 11 H GLU 11 -15.844 -3.386 -6.475
69 HA GLU 11 HA GLU 11 -13.837 -1.630 -7.653
70 1HB GLU 11 2HB GLU 11 -16.688 -1.117 -6.700
71 2HB GLU 11 1HB GLU 11 -15.710 0.060 -7.557
72 1HG GLU 11 2HG GLU 11 -15.493 -1.547 -9.478
73 2HG GLU 11 1HG GLU 11 -16.532 -2.678 -8.626
74 H VAL 12 H VAL 12 -12.320 -0.740 -6.451
75 HA VAL 12 HA VAL 12 -12.899 0.107 -3.655
76 HB VAL 12 HB VAL 12 -10.385 -0.006 -3.388
77 1HG1 VAL 12 2HG1 VAL 12 -11.807 -1.901 -2.697
78 2HG1 VAL 12 1HG1 VAL 12 -11.697 -2.589 -4.312
79 3HG1 VAL 12 3HG1 VAL 12 -10.263 -2.472 -3.304
80 1HG2 VAL 12 1HG2 VAL 12 -9.769 0.262 -5.803
81 2HG2 VAL 12 3HG2 VAL 12 -9.027 -1.156 -5.088
82 3HG2 VAL 12 2HG2 VAL 12 -10.423 -1.336 -6.134
83 H HIS 13 H HIS 13 -11.389 1.886 -3.039
84 HA HIS 13 HA HIS 13 -11.980 4.215 -4.699
85 1HB HIS 13 2HB HIS 13 -11.170 3.703 -1.924
86 2HB HIS 13 1HB HIS 13 -10.139 4.948 -2.601
87 HD1 HIS 13 HD1 HIS 13 -11.256 7.200 -2.926
88 HD2 HIS 13 HD2 HIS 13 -14.013 4.323 -2.039
89 HE1 HIS 13 HE1 HIS 13 -13.389 8.377 -2.554
90 H HIS 14 H HIS 14 -8.923 3.296 -3.252
91 HA HIS 14 HA HIS 14 -7.538 3.278 -5.842
92 1HB HIS 14 2HB HIS 14 -5.938 4.897 -3.966
93 2HB HIS 14 1HB HIS 14 -6.454 5.320 -5.586
94 HD1 HIS 14 HD1 HIS 14 -7.272 5.967 -2.086
95 HD2 HIS 14 HD2 HIS 14 -8.954 6.748 -5.719
96 HE1 HIS 14 HE1 HIS 14 -9.004 7.679 -1.693
97 H GLN 15 H GLN 15 -8.206 1.691 -3.367
98 HA GLN 15 HA GLN 15 -5.905 0.964 -1.912
99 1HB GLN 15 2HB GLN 15 -8.365 -0.595 -2.787
100 2HB GLN 15 1HB GLN 15 -7.132 -1.364 -1.823
101 1HG GLN 15 2HG GLN 15 -8.759 -0.524 -0.257
102 2HG GLN 15 1HG GLN 15 -7.376 0.545 -0.125
103 1HE2 GLN 15 2HE2 GLN 15 -9.109 3.374 -1.412
104 2HE2 GLN 15 1HE2 GLN 15 -7.585 2.727 -1.036
105 H LYS 16 H LYS 16 -7.055 -0.262 -4.987
106 HA LYS 16 HA LYS 16 -5.161 -2.250 -5.444
107 1HB LYS 16 2HB LYS 16 -7.090 -0.696 -7.035
108 2HB LYS 16 1HB LYS 16 -5.660 -1.020 -7.986
109 1HG LYS 16 2HG LYS 16 -7.319 -3.115 -6.525
110 2HG LYS 16 1HG LYS 16 -7.336 -2.812 -8.252
111 1HD LYS 16 2HD LYS 16 -4.683 -3.185 -7.984
112 2HD LYS 16 1HD LYS 16 -5.185 -4.062 -6.551
113 1HE LYS 16 2HE LYS 16 -5.104 -5.694 -8.331
114 2HE LYS 16 1HE LYS 16 -6.809 -5.375 -8.054
115 1HZ LYS 16 1HZ LYS 16 -7.000 -4.742 -10.135
116 2HZ LYS 16 3HZ LYS 16 -5.847 -3.516 -9.911
117 3HZ LYS 16 2HZ LYS 16 -5.354 -5.064 -10.405
118 H LEU 17 H LEU 17 -4.949 1.121 -6.547
119 HA LEU 17 HA LEU 17 -2.285 0.834 -7.552
120 1HB LEU 17 2HB LEU 17 -2.517 3.035 -8.186
121 2HB LEU 17 1HB LEU 17 -4.192 2.709 -7.842
122 HG LEU 17 HG LEU 17 -3.737 3.603 -5.476
123 1HD1 LEU 17 2HD1 LEU 17 -1.058 3.931 -6.680
124 2HD1 LEU 17 1HD1 LEU 17 -1.676 5.484 -6.159
125 3HD1 LEU 17 3HD1 LEU 17 -1.536 4.169 -5.012
126 1HD2 LEU 17 3HD2 LEU 17 -5.001 4.798 -7.271
127 2HD2 LEU 17 2HD2 LEU 17 -4.115 5.915 -6.245
128 3HD2 LEU 17 1HD2 LEU 17 -3.498 5.507 -7.839
129 H VAL 18 H VAL 18 -3.518 1.810 -4.353
130 HA VAL 18 HA VAL 18 -1.154 2.712 -3.169
131 HB VAL 18 HB VAL 18 -3.612 1.235 -2.136
132 1HG1 VAL 18 3HG1 VAL 18 -1.244 2.149 -0.493
133 2HG1 VAL 18 2HG1 VAL 18 -2.847 1.874 0.184
134 3HG1 VAL 18 1HG1 VAL 18 -1.968 0.544 -0.549
135 1HG2 VAL 18 2HG2 VAL 18 -3.596 3.709 -2.927
136 2HG2 VAL 18 1HG2 VAL 18 -4.307 3.361 -1.362
137 3HG2 VAL 18 3HG2 VAL 18 -2.689 4.037 -1.462
138 H PHE 19 H PHE 19 -2.394 -0.604 -3.259
139 HA PHE 19 HA PHE 19 -0.196 -1.898 -2.013
140 1HB PHE 19 2HB PHE 19 -1.867 -3.109 -4.262
141 2HB PHE 19 1HB PHE 19 -1.059 -3.972 -2.966
142 HD1 PHE 19 HD1 PHE 19 -1.906 -2.115 -0.642
143 HD2 PHE 19 HD2 PHE 19 -4.101 -3.821 -3.880
144 HE1 PHE 19 HE1 PHE 19 -3.956 -2.004 0.683
145 HE2 PHE 19 HE2 PHE 19 -6.150 -3.706 -2.540
146 HZ PHE 19 HZ PHE 19 -6.082 -2.798 -0.256
147 H PHE 20 H PHE 20 -0.864 -1.341 -5.412
148 HA PHE 20 HA PHE 20 1.405 -2.508 -6.565
149 1HB PHE 20 2HB PHE 20 -0.002 -1.821 -8.255
150 2HB PHE 20 1HB PHE 20 -0.680 -0.531 -7.300
151 HD1 PHE 20 HD2 PHE 20 2.312 -1.432 -9.302
152 HD2 PHE 20 HD1 PHE 20 -0.098 1.748 -7.808
153 HE1 PHE 20 HE2 PHE 20 3.576 0.166 -10.653
154 HE2 PHE 20 HE1 PHE 20 1.161 3.338 -9.145
155 HZ PHE 20 HZ PHE 20 3.010 2.564 -10.584
156 H ALA 21 H ALA 21 1.008 0.873 -5.589
157 HA ALA 21 HA ALA 21 3.594 1.838 -6.067
158 1HB ALA 21 1HB ALA 21 1.618 3.240 -5.408
159 2HB ALA 21 3HB ALA 21 1.745 2.627 -3.768
160 3HB ALA 21 2HB ALA 21 3.034 3.615 -4.439
161 H GLU 22 H GLU 22 2.382 0.367 -3.093
162 HA GLU 22 HA GLU 22 4.748 0.588 -1.562
163 1HB GLU 22 2HB GLU 22 2.850 -0.119 -0.347
164 2HB GLU 22 1HB GLU 22 2.307 -1.211 -1.586
165 1HG GLU 22 2HG GLU 22 4.815 -1.788 0.030
166 2HG GLU 22 1HG GLU 22 3.227 -2.199 0.649
167 H ASP 23 H ASP 23 3.695 -2.052 -3.662
168 HA ASP 23 HA ASP 23 5.914 -3.759 -3.449
169 1HB ASP 23 2HB ASP 23 3.649 -3.984 -4.826
170 2HB ASP 23 1HB ASP 23 4.566 -3.268 -6.118
171 H VAL 24 H VAL 24 5.303 -1.242 -5.742
172 HA VAL 24 HA VAL 24 7.620 -1.196 -7.261
173 HB VAL 24 HB VAL 24 5.863 1.133 -6.381
174 1HG1 VAL 24 1HG1 VAL 24 7.727 0.865 -8.732
175 2HG1 VAL 24 3HG1 VAL 24 6.505 2.122 -8.554
176 3HG1 VAL 24 2HG1 VAL 24 7.829 2.023 -7.403
177 1HG2 VAL 24 3HG2 VAL 24 5.089 -1.169 -7.739
178 2HG2 VAL 24 2HG2 VAL 24 4.282 0.386 -7.788
179 3HG2 VAL 24 1HG2 VAL 24 5.433 -0.056 -9.042
180 H GLY 25 H GLY 25 6.944 0.598 -4.355
181 1HA GLY 25 2HA GLY 25 9.159 2.181 -3.947
182 2HA GLY 25 1HA GLY 25 8.355 1.354 -2.620
183 H SER 26 H SER 26 8.922 -1.206 -3.149
184 HA SER 26 HA SER 26 11.712 -1.417 -2.304
185 1HB SER 26 2HB SER 26 9.870 -2.786 -1.242
186 2HB SER 26 1HB SER 26 9.711 -3.681 -2.759
187 HG SER 26 HG SER 26 12.302 -3.482 -2.119
188 H ASN 27 H ASN 27 9.798 -2.759 -4.906
189 HA ASN 27 HA ASN 27 11.687 -4.209 -6.316
190 1HB ASN 27 2HB ASN 27 9.181 -2.698 -7.074
191 2HB ASN 27 1HB ASN 27 10.098 -3.495 -8.326
192 1HD2 ASN 27 2HD2 ASN 27 8.431 -6.511 -7.566
193 2HD2 ASN 27 1HD2 ASN 27 9.025 -5.449 -8.750
194 H LYS 28 H LYS 28 10.943 -0.830 -6.861
195 HA LYS 28 HA LYS 28 12.521 -0.313 -9.098
196 1HB LYS 28 2HB LYS 28 12.436 1.994 -8.410
197 2HB LYS 28 1HB LYS 28 10.926 1.226 -7.964
198 1HG LYS 28 2HG LYS 28 12.065 0.836 -5.627
199 2HG LYS 28 1HG LYS 28 13.205 2.064 -6.136
200 1HD LYS 28 2HD LYS 28 10.178 2.472 -6.117
201 2HD LYS 28 1HD LYS 28 11.237 2.948 -4.804
202 1HE LYS 28 2HE LYS 28 12.556 4.340 -6.513
203 2HE LYS 28 1HE LYS 28 11.237 4.039 -7.639
204 1HZ LYS 28 1HZ LYS 28 10.144 4.857 -5.203
205 2HZ LYS 28 3HZ LYS 28 11.384 5.942 -5.615
206 3HZ LYS 28 2HZ LYS 28 10.112 5.653 -6.703
207 H GLY 29 H GLY 29 13.553 -0.624 -5.730
208 1HA GLY 29 2HA GLY 29 16.201 0.365 -5.978
209 2HA GLY 29 1HA GLY 29 15.701 -0.872 -4.820
210 H ALA 30 H ALA 30 15.067 -2.991 -6.146
211 HA ALA 30 HA ALA 30 17.542 -4.102 -7.065
212 1HB ALA 30 1HB ALA 30 14.683 -5.098 -7.501
213 2HB ALA 30 3HB ALA 30 16.125 -6.072 -7.751
214 3HB ALA 30 2HB ALA 30 15.714 -5.509 -6.139
215 H ILE 31 H ILE 31 14.729 -2.994 -8.833
216 HA ILE 31 HA ILE 31 15.466 -3.668 -11.437
217 HB ILE 31 HB ILE 31 13.815 -1.470 -10.142
218 1HG1 ILE 31 2HG1 ILE 31 13.033 -3.909 -11.786
219 2HG1 ILE 31 1HG1 ILE 31 13.092 -3.879 -10.046
220 1HG2 ILE 31 3HG2 ILE 31 13.979 -1.915 -13.143
221 2HG2 ILE 31 2HG2 ILE 31 12.812 -0.885 -12.323
222 3HG2 ILE 31 1HG2 ILE 31 14.510 -0.479 -12.271
223 1HD1 ILE 31 1HD1 ILE 31 11.406 -1.932 -10.125
224 2HD1 ILE 31 3HD1 ILE 31 11.176 -2.340 -11.820
225 3HD1 ILE 31 2HD1 ILE 31 10.802 -3.516 -10.575
226 H ILE 32 H ILE 32 16.198 -0.627 -9.715
227 HA ILE 32 HA ILE 32 17.664 0.526 -11.845
228 HB ILE 32 HB ILE 32 18.027 0.813 -8.809
229 1HG1 ILE 32 2HG1 ILE 32 16.618 2.766 -10.660
230 2HG1 ILE 32 1HG1 ILE 32 15.752 1.387 -10.064
231 1HG2 ILE 32 3HG2 ILE 32 19.066 2.536 -11.111
232 2HG2 ILE 32 2HG2 ILE 32 19.038 3.080 -9.442
233 3HG2 ILE 32 1HG2 ILE 32 20.027 1.707 -9.897
234 1HD1 ILE 32 1HD1 ILE 32 16.427 2.093 -7.692
235 2HD1 ILE 32 3HD1 ILE 32 17.002 3.596 -8.397
236 3HD1 ILE 32 2HD1 ILE 32 15.304 3.166 -8.509
237 H GLY 33 H GLY 33 18.710 -1.547 -9.189
238 1HA GLY 33 2HA GLY 33 21.472 -1.617 -9.757
239 2HA GLY 33 1HA GLY 33 20.591 -2.954 -9.020
240 H LEU 34 H LEU 34 19.006 -3.907 -10.943
241 HA LEU 34 HA LEU 34 20.859 -5.282 -12.660
242 1HB LEU 34 2HB LEU 34 18.734 -6.148 -13.850
243 2HB LEU 34 1HB LEU 34 18.908 -6.506 -12.153
244 HG LEU 34 HG LEU 34 17.468 -4.243 -11.933
245 1HD1 LEU 34 1HD1 LEU 34 17.285 -4.015 -14.471
246 2HD1 LEU 34 3HD1 LEU 34 16.447 -5.554 -14.500
247 3HD1 LEU 34 2HD1 LEU 34 15.728 -4.175 -13.686
248 1HD2 LEU 34 1HD2 LEU 34 16.512 -7.087 -12.370
249 2HD2 LEU 34 3HD2 LEU 34 16.816 -6.275 -10.842
250 3HD2 LEU 34 2HD2 LEU 34 15.440 -5.811 -11.825
251 H MET 35 H MET 35 18.728 -2.515 -13.291
252 HA MET 35 HA MET 35 19.054 -2.404 -16.098
253 1HB MET 35 2HB MET 35 17.394 -1.098 -14.667
254 2HB MET 35 1HB MET 35 18.713 -0.060 -14.165
255 1HG MET 35 2HG MET 35 17.449 0.926 -16.013
256 2HG MET 35 1HG MET 35 19.101 0.621 -16.474
257 1HE MET 35 3HE MET 35 18.408 1.225 -18.876
258 2HE MET 35 2HE MET 35 17.142 0.412 -19.795
259 3HE MET 35 1HE MET 35 16.717 1.418 -18.410
260 H VAL 36 H VAL 36 20.830 -0.937 -13.478
261 HA VAL 36 HA VAL 36 22.760 0.544 -14.889
262 HB VAL 36 HB VAL 36 22.680 -0.779 -12.127
263 1HG1 VAL 36 2HG1 VAL 36 25.004 0.791 -13.339
264 2HG1 VAL 36 1HG1 VAL 36 24.775 0.605 -11.607
265 3HG1 VAL 36 3HG1 VAL 36 25.064 -0.806 -12.606
266 1HG2 VAL 36 3HG2 VAL 36 21.339 1.336 -12.768
267 2HG2 VAL 36 2HG2 VAL 36 22.353 1.450 -11.340
268 3HG2 VAL 36 1HG2 VAL 36 22.883 2.163 -12.856
269 H GLY 37 H GLY 37 23.015 -2.753 -13.561
270 1HA GLY 37 2HA GLY 37 24.370 -3.786 -15.873
271 2HA GLY 37 1HA GLY 37 25.551 -3.388 -14.632
272 H GLY 38 H GLY 38 23.331 -4.125 -12.616
273 1HA GLY 38 2HA GLY 38 22.648 -5.995 -11.423
274 2HA GLY 38 1HA GLY 38 22.840 -6.943 -12.891
275 H VAL 39 H VAL 39 25.741 -5.497 -12.443
276 HA VAL 39 HA VAL 39 26.916 -7.899 -11.222
277 HB VAL 39 HB VAL 39 28.528 -5.530 -12.270
278 1HG1 VAL 39 1HG1 VAL 39 29.716 -7.466 -11.212
279 2HG1 VAL 39 3HG1 VAL 39 28.970 -8.551 -12.374
280 3HG1 VAL 39 2HG1 VAL 39 30.112 -7.333 -12.914
281 1HG2 VAL 39 3HG2 VAL 39 27.002 -7.540 -13.962
282 2HG2 VAL 39 2HG2 VAL 39 27.076 -5.792 -14.138
283 3HG2 VAL 39 1HG2 VAL 39 28.465 -6.771 -14.555
284 H VAL 40 H VAL 40 25.382 -6.068 -9.680
285 HA VAL 40 HA VAL 40 27.033 -4.352 -8.072
286 HB VAL 40 HB VAL 40 24.320 -5.614 -7.413
287 1HG1 VAL 40 3HG1 VAL 40 25.789 -3.202 -6.257
288 2HG1 VAL 40 2HG1 VAL 40 24.096 -3.555 -5.949
289 3HG1 VAL 40 1HG1 VAL 40 25.335 -4.668 -5.402
290 1HG2 VAL 40 2HG2 VAL 40 25.018 -2.984 -8.802
291 2HG2 VAL 40 1HG2 VAL 40 24.197 -4.354 -9.533
292 3HG2 VAL 40 3HG2 VAL 40 23.403 -3.430 -8.274
No H/Q in entry = 292
Start of MODEL 7
1 1H ASP 1 1H ASP 1 -28.370 1.511 -22.489
2 2H ASP 1 3H ASP 1 -28.890 0.380 -23.644
3 3H ASP 1 2H ASP 1 -29.776 1.805 -23.392
4 HA ASP 1 HA ASP 1 -30.997 0.840 -21.864
5 1HB ASP 1 2HB ASP 1 -29.160 -1.563 -22.308
6 2HB ASP 1 1HB ASP 1 -30.690 -1.626 -21.444
7 H ALA 2 H ALA 2 -31.104 0.116 -19.660
8 HA ALA 2 HA ALA 2 -28.687 0.035 -18.013
9 1HB ALA 2 1HB ALA 2 -29.258 2.541 -18.472
10 2HB ALA 2 3HB ALA 2 -30.668 2.283 -17.461
11 3HB ALA 2 2HB ALA 2 -29.056 2.081 -16.793
12 H GLU 3 H GLU 3 -29.065 -1.113 -16.219
13 HA GLU 3 HA GLU 3 -31.625 -2.423 -15.863
14 1HB GLU 3 2HB GLU 3 -29.306 -2.412 -13.891
15 2HB GLU 3 1HB GLU 3 -30.561 -3.617 -14.041
16 1HG GLU 3 2HG GLU 3 -29.043 -4.754 -15.322
17 2HG GLU 3 1HG GLU 3 -29.537 -3.673 -16.609
18 H PHE 4 H PHE 4 -30.231 0.429 -14.709
19 HA PHE 4 HA PHE 4 -30.851 2.054 -13.210
20 1HB PHE 4 2HB PHE 4 -33.144 1.319 -14.594
21 2HB PHE 4 1HB PHE 4 -33.683 1.054 -12.948
22 HD1 PHE 4 HD2 PHE 4 -32.391 3.565 -15.333
23 HD2 PHE 4 HD1 PHE 4 -33.943 2.943 -11.409
24 HE1 PHE 4 HE2 PHE 4 -32.683 5.984 -15.060
25 HE2 PHE 4 HE1 PHE 4 -34.232 5.362 -11.143
26 HZ PHE 4 HZ PHE 4 -33.604 6.889 -12.966
27 H ARG 5 H ARG 5 -30.111 -0.646 -12.357
28 HA ARG 5 HA ARG 5 -30.617 -0.354 -9.455
29 1HB ARG 5 2HB ARG 5 -31.182 -2.904 -11.061
30 2HB ARG 5 1HB ARG 5 -31.115 -2.857 -9.309
31 1HG ARG 5 2HG ARG 5 -32.985 -1.178 -9.303
32 2HG ARG 5 1HG ARG 5 -33.091 -1.321 -11.050
33 1HD ARG 5 2HD ARG 5 -33.422 -3.863 -10.677
34 2HD ARG 5 1HD ARG 5 -33.698 -3.459 -8.980
35 HE ARG 5 HE ARG 5 -35.330 -1.731 -10.487
36 1HH1 ARG 5 2HH1 ARG 5 -34.949 -5.135 -9.944
37 2HH1 ARG 5 1HH1 ARG 5 -36.622 -5.481 -10.217
38 1HH2 ARG 5 1HH2 ARG 5 -37.446 -2.143 -10.838
39 2HH2 ARG 5 2HH2 ARG 5 -38.065 -3.758 -10.733
40 H HIS 6 H HIS 6 -28.431 0.227 -11.081
41 HA HIS 6 HA HIS 6 -26.350 -1.348 -9.796
42 1HB HIS 6 2HB HIS 6 -25.232 -1.968 -11.955
43 2HB HIS 6 1HB HIS 6 -26.867 -2.612 -11.956
44 HD1 HIS 6 HD1 HIS 6 -28.543 -0.426 -12.962
45 HD2 HIS 6 HD2 HIS 6 -24.747 -0.864 -14.405
46 HE1 HIS 6 HE1 HIS 6 -28.479 0.744 -15.135
47 H ASP 7 H ASP 7 -27.534 1.328 -10.134
48 HA ASP 7 HA ASP 7 -25.270 2.997 -11.006
49 1HB ASP 7 2HB ASP 7 -27.204 4.791 -10.319
50 2HB ASP 7 1HB ASP 7 -27.144 4.039 -11.899
51 H SER 8 H SER 8 -23.922 3.814 -9.587
52 HA SER 8 HA SER 8 -22.900 4.412 -7.592
53 1HB SER 8 2HB SER 8 -24.932 6.060 -7.684
54 2HB SER 8 1HB SER 8 -25.704 5.008 -6.489
55 HG SER 8 HG SER 8 -24.397 5.771 -5.062
56 H GLY 9 H GLY 9 -23.357 1.737 -7.948
57 1HA GLY 9 2HA GLY 9 -24.573 0.426 -5.682
58 2HA GLY 9 1HA GLY 9 -23.478 -0.320 -6.846
59 H TYR 10 H TYR 10 -21.185 0.409 -6.648
60 HA TYR 10 HA TYR 10 -20.166 1.380 -4.132
61 1HB TYR 10 2HB TYR 10 -20.791 -0.856 -3.275
62 2HB TYR 10 1HB TYR 10 -20.000 -1.640 -4.634
63 HD1 TYR 10 HD1 TYR 10 -19.330 0.574 -1.692
64 HD2 TYR 10 HD2 TYR 10 -17.662 -2.137 -4.526
65 HE1 TYR 10 HE1 TYR 10 -17.208 0.596 -0.469
66 HE2 TYR 10 HE2 TYR 10 -15.544 -2.112 -3.299
67 HH TYR 10 HH TYR 10 -14.476 -0.074 -1.516
68 H GLU 11 H GLU 11 -17.953 1.523 -4.050
69 HA GLU 11 HA GLU 11 -16.174 0.622 -6.134
70 1HB GLU 11 2HB GLU 11 -17.544 2.681 -7.101
71 2HB GLU 11 1HB GLU 11 -16.575 3.648 -6.016
72 1HG GLU 11 2HG GLU 11 -15.191 1.667 -7.861
73 2HG GLU 11 1HG GLU 11 -15.776 3.174 -8.531
74 H VAL 12 H VAL 12 -14.051 0.880 -5.486
75 HA VAL 12 HA VAL 12 -13.613 1.501 -2.654
76 HB VAL 12 HB VAL 12 -11.269 0.727 -3.148
77 1HG1 VAL 12 2HG1 VAL 12 -13.410 -1.066 -4.348
78 2HG1 VAL 12 1HG1 VAL 12 -11.805 -1.584 -3.860
79 3HG1 VAL 12 3HG1 VAL 12 -12.935 -0.993 -2.657
80 1HG2 VAL 12 2HG2 VAL 12 -11.115 1.690 -5.485
81 2HG2 VAL 12 1HG2 VAL 12 -10.604 0.017 -5.393
82 3HG2 VAL 12 3HG2 VAL 12 -12.184 0.414 -6.045
83 H HIS 13 H HIS 13 -10.948 2.511 -3.075
84 HA HIS 13 HA HIS 13 -11.507 5.324 -3.967
85 1HB HIS 13 2HB HIS 13 -10.017 4.235 -1.544
86 2HB HIS 13 1HB HIS 13 -9.740 5.874 -2.132
87 HD1 HIS 13 HD1 HIS 13 -12.583 3.761 -0.909
88 HD2 HIS 13 HD2 HIS 13 -11.698 7.705 -1.466
89 HE1 HIS 13 HE1 HIS 13 -14.448 5.036 0.087
90 H HIS 14 H HIS 14 -8.542 3.810 -2.903
91 HA HIS 14 HA HIS 14 -7.520 3.531 -5.641
92 1HB HIS 14 2HB HIS 14 -5.481 4.950 -4.052
93 2HB HIS 14 1HB HIS 14 -6.140 5.404 -5.610
94 HD1 HIS 14 HD1 HIS 14 -6.379 6.230 -2.066
95 HD2 HIS 14 HD2 HIS 14 -8.419 7.183 -5.468
96 HE1 HIS 14 HE1 HIS 14 -7.781 8.181 -1.507
97 H GLN 15 H GLN 15 -8.080 2.031 -3.100
98 HA GLN 15 HA GLN 15 -5.807 1.052 -1.820
99 1HB GLN 15 2HB GLN 15 -8.267 0.391 -1.442
100 2HB GLN 15 1HB GLN 15 -8.078 -0.757 -2.753
101 1HG GLN 15 2HG GLN 15 -6.139 -1.801 -1.490
102 2HG GLN 15 1HG GLN 15 -6.461 -0.700 -0.158
103 1HE2 GLN 15 2HE2 GLN 15 -9.629 -2.311 0.632
104 2HE2 GLN 15 1HE2 GLN 15 -8.972 -0.753 0.487
105 H LYS 16 H LYS 16 -7.128 -0.043 -4.863
106 HA LYS 16 HA LYS 16 -5.389 -2.152 -5.471
107 1HB LYS 16 2HB LYS 16 -5.844 -1.484 -7.929
108 2HB LYS 16 1HB LYS 16 -7.229 -1.840 -6.930
109 1HG LYS 16 2HG LYS 16 -8.102 0.169 -7.507
110 2HG LYS 16 1HG LYS 16 -6.865 0.951 -6.555
111 1HD LYS 16 2HD LYS 16 -5.355 0.716 -8.684
112 2HD LYS 16 1HD LYS 16 -6.847 0.371 -9.530
113 1HE LYS 16 2HE LYS 16 -7.787 2.532 -8.928
114 2HE LYS 16 1HE LYS 16 -6.481 2.853 -7.796
115 1HZ LYS 16 1HZ LYS 16 -5.356 2.297 -10.289
116 2HZ LYS 16 3HZ LYS 16 -6.593 3.439 -10.513
117 3HZ LYS 16 2HZ LYS 16 -5.336 3.752 -9.413
118 H LEU 17 H LEU 17 -4.962 1.176 -6.651
119 HA LEU 17 HA LEU 17 -2.320 0.694 -7.636
120 1HB LEU 17 2HB LEU 17 -2.371 2.906 -8.321
121 2HB LEU 17 1HB LEU 17 -4.072 2.639 -8.082
122 HG LEU 17 HG LEU 17 -3.712 3.596 -5.690
123 1HD1 LEU 17 3HD1 LEU 17 -0.989 3.840 -6.798
124 2HD1 LEU 17 2HD1 LEU 17 -1.608 5.424 -6.388
125 3HD1 LEU 17 1HD1 LEU 17 -1.538 4.171 -5.169
126 1HD2 LEU 17 2HD2 LEU 17 -3.422 5.351 -8.163
127 2HD2 LEU 17 1HD2 LEU 17 -4.934 4.757 -7.499
128 3HD2 LEU 17 3HD2 LEU 17 -3.970 5.908 -6.588
129 H VAL 18 H VAL 18 -3.476 1.837 -4.465
130 HA VAL 18 HA VAL 18 -1.053 2.694 -3.361
131 HB VAL 18 HB VAL 18 -3.513 1.316 -2.201
132 1HG1 VAL 18 2HG1 VAL 18 -1.048 2.251 -0.737
133 2HG1 VAL 18 1HG1 VAL 18 -2.625 2.214 0.043
134 3HG1 VAL 18 3HG1 VAL 18 -1.923 0.730 -0.578
135 1HG2 VAL 18 2HG2 VAL 18 -3.453 3.769 -3.162
136 2HG2 VAL 18 1HG2 VAL 18 -4.238 3.472 -1.623
137 3HG2 VAL 18 3HG2 VAL 18 -2.620 4.153 -1.668
138 H PHE 19 H PHE 19 -2.456 -0.562 -3.199
139 HA PHE 19 HA PHE 19 -0.343 -1.939 -1.973
140 1HB PHE 19 2HB PHE 19 -2.478 -2.743 -3.973
141 2HB PHE 19 1HB PHE 19 -1.263 -3.917 -3.506
142 HD1 PHE 19 HD2 PHE 19 -3.023 -1.284 -1.419
143 HD2 PHE 19 HD1 PHE 19 -2.330 -5.443 -2.096
144 HE1 PHE 19 HE2 PHE 19 -4.283 -1.826 0.596
145 HE2 PHE 19 HE1 PHE 19 -3.600 -5.971 -0.069
146 HZ PHE 19 HZ PHE 19 -4.580 -4.167 1.283
147 H PHE 20 H PHE 20 -0.909 -1.412 -5.395
148 HA PHE 20 HA PHE 20 1.373 -2.661 -6.471
149 1HB PHE 20 2HB PHE 20 0.004 -2.023 -8.205
150 2HB PHE 20 1HB PHE 20 -0.693 -0.705 -7.305
151 HD1 PHE 20 HD1 PHE 20 2.393 -1.641 -9.160
152 HD2 PHE 20 HD2 PHE 20 -0.186 1.540 -7.979
153 HE1 PHE 20 HE1 PHE 20 3.651 -0.090 -10.570
154 HE2 PHE 20 HE2 PHE 20 1.069 3.083 -9.371
155 HZ PHE 20 HZ PHE 20 2.999 2.284 -10.685
156 H ALA 21 H ALA 21 0.960 0.717 -5.530
157 HA ALA 21 HA ALA 21 3.516 1.734 -5.991
158 1HB ALA 21 1HB ALA 21 1.349 2.946 -5.182
159 2HB ALA 21 3HB ALA 21 1.877 2.541 -3.557
160 3HB ALA 21 2HB ALA 21 2.881 3.553 -4.579
161 H GLU 22 H GLU 22 2.371 0.147 -3.049
162 HA GLU 22 HA GLU 22 4.752 0.446 -1.518
163 1HB GLU 22 2HB GLU 22 2.557 -1.663 -1.544
164 2HB GLU 22 1HB GLU 22 3.988 -1.970 -0.586
165 1HG GLU 22 2HG GLU 22 2.553 -0.901 0.951
166 2HG GLU 22 1HG GLU 22 3.597 0.408 0.434
167 H ASP 23 H ASP 23 3.826 -2.188 -3.666
168 HA ASP 23 HA ASP 23 6.141 -3.773 -3.541
169 1HB ASP 23 2HB ASP 23 3.905 -4.109 -4.902
170 2HB ASP 23 1HB ASP 23 4.717 -3.239 -6.173
171 H VAL 24 H VAL 24 5.383 -1.204 -5.726
172 HA VAL 24 HA VAL 24 7.733 -0.967 -7.224
173 HB VAL 24 HB VAL 24 5.838 1.257 -6.330
174 1HG1 VAL 24 1HG1 VAL 24 7.832 2.100 -7.471
175 2HG1 VAL 24 3HG1 VAL 24 7.509 1.025 -8.830
176 3HG1 VAL 24 2HG1 VAL 24 6.379 2.319 -8.433
177 1HG2 VAL 24 1HG2 VAL 24 5.134 -1.107 -7.674
178 2HG2 VAL 24 3HG2 VAL 24 4.237 0.397 -7.661
179 3HG2 VAL 24 2HG2 VAL 24 5.359 0.047 -8.967
180 H GLY 25 H GLY 25 6.867 0.693 -4.281
181 1HA GLY 25 2HA GLY 25 9.019 2.381 -3.807
182 2HA GLY 25 1HA GLY 25 8.154 1.556 -2.514
183 H SER 26 H SER 26 8.744 -0.964 -2.826
184 HA SER 26 HA SER 26 11.186 -1.440 -1.558
185 1HB SER 26 2HB SER 26 10.072 -3.473 -3.555
186 2HB SER 26 1HB SER 26 10.832 -3.779 -1.988
187 HG SER 26 HG SER 26 8.263 -3.199 -2.566
188 H ASN 27 H ASN 27 10.549 -1.877 -4.957
189 HA ASN 27 HA ASN 27 13.239 -2.309 -5.810
190 1HB ASN 27 2HB ASN 27 10.577 -1.819 -7.052
191 2HB ASN 27 1HB ASN 27 11.894 -1.258 -8.051
192 1HD2 ASN 27 2HD2 ASN 27 13.085 -4.529 -8.782
193 2HD2 ASN 27 1HD2 ASN 27 13.445 -2.872 -8.831
194 H LYS 28 H LYS 28 11.278 0.539 -5.913
195 HA LYS 28 HA LYS 28 12.870 2.435 -7.126
196 1HB LYS 28 2HB LYS 28 10.652 2.366 -5.267
197 2HB LYS 28 1HB LYS 28 11.714 3.677 -4.806
198 1HG LYS 28 2HG LYS 28 11.456 4.762 -6.931
199 2HG LYS 28 1HG LYS 28 10.837 3.307 -7.692
200 1HD LYS 28 2HD LYS 28 8.898 4.642 -7.336
201 2HD LYS 28 1HD LYS 28 8.845 3.451 -6.053
202 1HE LYS 28 2HE LYS 28 9.989 5.157 -4.532
203 2HE LYS 28 1HE LYS 28 9.783 6.339 -5.820
204 1HZ LYS 28 3HZ LYS 28 7.341 5.042 -5.417
205 2HZ LYS 28 2HZ LYS 28 7.938 5.522 -3.902
206 3HZ LYS 28 1HZ LYS 28 7.737 6.669 -5.137
207 H GLY 29 H GLY 29 13.035 1.473 -3.709
208 1HA GLY 29 2HA GLY 29 15.039 3.187 -2.784
209 2HA GLY 29 1HA GLY 29 14.858 1.525 -2.218
210 H ALA 30 H ALA 30 15.526 -0.025 -4.200
211 HA ALA 30 HA ALA 30 18.395 0.167 -4.345
212 1HB ALA 30 2HB ALA 30 17.124 -1.991 -4.528
213 2HB ALA 30 1HB ALA 30 16.524 -1.496 -6.102
214 3HB ALA 30 3HB ALA 30 18.241 -1.792 -5.867
215 H ILE 31 H ILE 31 15.937 0.728 -6.769
216 HA ILE 31 HA ILE 31 17.443 1.361 -9.014
217 HB ILE 31 HB ILE 31 14.766 2.249 -7.895
218 1HG1 ILE 31 2HG1 ILE 31 15.526 0.487 -10.253
219 2HG1 ILE 31 1HG1 ILE 31 15.144 -0.106 -8.659
220 1HG2 ILE 31 1HG2 ILE 31 15.781 3.047 -10.639
221 2HG2 ILE 31 3HG2 ILE 31 14.136 3.254 -10.045
222 3HG2 ILE 31 2HG2 ILE 31 15.444 4.139 -9.296
223 1HD1 ILE 31 3HD1 ILE 31 12.863 1.063 -8.877
224 2HD1 ILE 31 2HD1 ILE 31 13.244 1.264 -10.582
225 3HD1 ILE 31 1HD1 ILE 31 13.122 -0.343 -9.893
226 H ILE 32 H ILE 32 16.380 3.582 -6.485
227 HA ILE 32 HA ILE 32 17.602 5.921 -7.474
228 HB ILE 32 HB ILE 32 17.047 5.028 -4.596
229 1HG1 ILE 32 2HG1 ILE 32 15.426 6.979 -6.276
230 2HG1 ILE 32 1HG1 ILE 32 15.146 5.272 -6.428
231 1HG2 ILE 32 1HG2 ILE 32 17.731 7.785 -5.721
232 2HG2 ILE 32 3HG2 ILE 32 17.054 7.539 -4.119
233 3HG2 ILE 32 2HG2 ILE 32 18.633 6.888 -4.511
234 1HD1 ILE 32 1HD1 ILE 32 14.854 5.207 -3.865
235 2HD1 ILE 32 3HD1 ILE 32 14.782 6.961 -3.940
236 3HD1 ILE 32 2HD1 ILE 32 13.582 5.994 -4.780
237 H GLY 33 H GLY 33 18.796 3.552 -5.137
238 1HA GLY 33 2HA GLY 33 21.358 4.580 -4.657
239 2HA GLY 33 1HA GLY 33 21.007 2.849 -4.685
240 H LEU 34 H LEU 34 20.283 2.599 -7.360
241 HA LEU 34 HA LEU 34 22.836 2.353 -8.626
242 1HB LEU 34 2HB LEU 34 19.978 2.033 -9.624
243 2HB LEU 34 1HB LEU 34 21.342 1.748 -10.676
244 HG LEU 34 HG LEU 34 21.346 0.369 -7.983
245 1HD1 LEU 34 2HD1 LEU 34 19.594 -0.455 -10.329
246 2HD1 LEU 34 1HD1 LEU 34 20.037 -1.534 -9.016
247 3HD1 LEU 34 3HD1 LEU 34 19.079 -0.104 -8.686
248 1HD2 LEU 34 3HD2 LEU 34 23.212 0.252 -9.791
249 2HD2 LEU 34 2HD2 LEU 34 22.638 -1.278 -9.157
250 3HD2 LEU 34 1HD2 LEU 34 22.090 -0.717 -10.728
251 H MET 35 H MET 35 20.119 4.502 -9.491
252 HA MET 35 HA MET 35 21.550 5.823 -11.592
253 1HB MET 35 2HB MET 35 19.865 7.699 -11.297
254 2HB MET 35 1HB MET 35 19.131 6.118 -11.448
255 1HG MET 35 2HG MET 35 18.868 5.981 -9.054
256 2HG MET 35 1HG MET 35 19.630 7.530 -8.825
257 1HE MET 35 2HE MET 35 18.549 9.777 -9.087
258 2HE MET 35 1HE MET 35 16.868 9.855 -8.556
259 3HE MET 35 3HE MET 35 18.051 8.957 -7.607
260 H VAL 36 H VAL 36 21.408 6.422 -8.164
261 HA VAL 36 HA VAL 36 22.784 8.912 -8.074
262 HB VAL 36 HB VAL 36 22.379 6.631 -6.073
263 1HG1 VAL 36 1HG1 VAL 36 23.886 9.246 -5.637
264 2HG1 VAL 36 3HG1 VAL 36 23.210 8.303 -4.318
265 3HG1 VAL 36 2HG1 VAL 36 24.464 7.616 -5.330
266 1HG2 VAL 36 3HG2 VAL 36 20.457 8.192 -6.781
267 2HG2 VAL 36 2HG2 VAL 36 20.777 8.123 -5.059
268 3HG2 VAL 36 1HG2 VAL 36 21.338 9.493 -6.004
269 H GLY 37 H GLY 37 23.925 5.560 -7.678
270 1HA GLY 37 2HA GLY 37 25.954 4.760 -8.730
271 2HA GLY 37 1HA GLY 37 26.629 6.385 -8.632
272 H GLY 38 H GLY 38 24.904 4.558 -6.186
273 1HA GLY 38 2HA GLY 38 27.362 4.381 -4.486
274 2HA GLY 38 1HA GLY 38 25.832 4.965 -3.827
275 H VAL 39 H VAL 39 24.250 3.187 -5.397
276 HA VAL 39 HA VAL 39 23.050 1.257 -4.985
277 HB VAL 39 HB VAL 39 25.882 0.471 -5.642
278 1HG1 VAL 39 2HG1 VAL 39 23.438 -1.307 -5.343
279 2HG1 VAL 39 1HG1 VAL 39 24.484 -1.644 -6.710
280 3HG1 VAL 39 3HG1 VAL 39 25.126 -1.722 -5.085
281 1HG2 VAL 39 2HG2 VAL 39 24.757 1.887 -7.290
282 2HG2 VAL 39 1HG2 VAL 39 25.005 0.285 -7.957
283 3HG2 VAL 39 3HG2 VAL 39 23.419 0.750 -7.364
284 H VAL 40 H VAL 40 23.925 2.478 -2.635
285 HA VAL 40 HA VAL 40 25.019 0.561 -0.764
286 HB VAL 40 HB VAL 40 23.381 3.073 -0.150
287 1HG1 VAL 40 3HG1 VAL 40 25.421 1.478 1.475
288 2HG1 VAL 40 2HG1 VAL 40 24.759 3.028 1.969
289 3HG1 VAL 40 1HG1 VAL 40 23.706 1.634 1.825
290 1HG2 VAL 40 3HG2 VAL 40 26.351 2.716 -0.748
291 2HG2 VAL 40 2HG2 VAL 40 25.213 3.766 -1.576
292 3HG2 VAL 40 1HG2 VAL 40 25.708 4.134 0.064
No H/Q in entry = 292
Start of MODEL 8
1 1H ASP 1 2H ASP 1 -12.082 -13.341 -25.992
2 2H ASP 1 1H ASP 1 -13.419 -14.383 -26.048
3 3H ASP 1 3H ASP 1 -13.304 -13.090 -27.142
4 HA ASP 1 HA ASP 1 -14.382 -11.777 -25.770
5 1HB ASP 1 2HB ASP 1 -15.200 -12.760 -23.536
6 2HB ASP 1 1HB ASP 1 -15.644 -13.677 -24.963
7 H ALA 2 H ALA 2 -14.207 -10.403 -23.909
8 HA ALA 2 HA ALA 2 -11.400 -10.059 -23.044
9 1HB ALA 2 2HB ALA 2 -13.863 -8.295 -22.804
10 2HB ALA 2 1HB ALA 2 -12.267 -7.839 -22.221
11 3HB ALA 2 3HB ALA 2 -12.531 -8.099 -23.938
12 H GLU 3 H GLU 3 -11.631 -12.004 -21.757
13 HA GLU 3 HA GLU 3 -12.614 -11.402 -18.988
14 1HB GLU 3 2HB GLU 3 -12.788 -14.087 -20.435
15 2HB GLU 3 1HB GLU 3 -13.260 -13.799 -18.776
16 1HG GLU 3 2HG GLU 3 -14.991 -12.183 -19.500
17 2HG GLU 3 1HG GLU 3 -14.528 -12.404 -21.177
18 H PHE 4 H PHE 4 -10.142 -10.794 -19.735
19 HA PHE 4 HA PHE 4 -8.298 -12.968 -18.899
20 1HB PHE 4 2HB PHE 4 -6.628 -10.855 -19.454
21 2HB PHE 4 1HB PHE 4 -7.212 -11.952 -20.675
22 HD1 PHE 4 HD1 PHE 4 -8.345 -8.778 -18.969
23 HD2 PHE 4 HD2 PHE 4 -8.165 -11.022 -22.593
24 HE1 PHE 4 HE1 PHE 4 -9.393 -6.926 -20.173
25 HE2 PHE 4 HE2 PHE 4 -9.213 -9.159 -23.788
26 HZ PHE 4 HZ PHE 4 -9.830 -7.108 -22.584
27 H ARG 5 H ARG 5 -9.508 -12.768 -16.886
28 HA ARG 5 HA ARG 5 -9.535 -12.357 -14.595
29 1HB ARG 5 2HB ARG 5 -7.018 -12.570 -14.885
30 2HB ARG 5 1HB ARG 5 -6.916 -10.836 -15.108
31 1HG ARG 5 2HG ARG 5 -8.196 -10.727 -12.788
32 2HG ARG 5 1HG ARG 5 -7.653 -12.381 -12.610
33 1HD ARG 5 2HD ARG 5 -5.403 -11.764 -12.413
34 2HD ARG 5 1HD ARG 5 -5.593 -10.340 -13.433
35 HE ARG 5 HE ARG 5 -7.033 -10.162 -10.902
36 1HH1 ARG 5 2HH1 ARG 5 -4.036 -9.650 -12.560
37 2HH1 ARG 5 1HH1 ARG 5 -3.497 -8.434 -11.457
38 1HH2 ARG 5 1HH2 ARG 5 -6.381 -8.645 -9.486
39 2HH2 ARG 5 2HH2 ARG 5 -4.849 -7.856 -9.670
40 H HIS 6 H HIS 6 -11.391 -11.104 -14.985
41 HA HIS 6 HA HIS 6 -11.157 -8.184 -15.154
42 1HB HIS 6 2HB HIS 6 -12.918 -9.632 -16.407
43 2HB HIS 6 1HB HIS 6 -13.728 -9.808 -14.857
44 HD1 HIS 6 HD1 HIS 6 -12.633 -7.049 -17.157
45 HD2 HIS 6 HD2 HIS 6 -15.322 -7.647 -14.144
46 HE1 HIS 6 HE1 HIS 6 -14.009 -5.005 -17.038
47 H ASP 7 H ASP 7 -9.951 -9.019 -12.931
48 HA ASP 7 HA ASP 7 -11.501 -9.251 -10.572
49 1HB ASP 7 2HB ASP 7 -9.362 -8.853 -9.445
50 2HB ASP 7 1HB ASP 7 -9.090 -9.879 -10.836
51 H SER 8 H SER 8 -11.174 -7.609 -8.750
52 HA SER 8 HA SER 8 -11.831 -5.595 -7.808
53 1HB SER 8 2HB SER 8 -9.617 -4.943 -9.023
54 2HB SER 8 1HB SER 8 -10.640 -4.215 -10.271
55 HG SER 8 HG SER 8 -11.014 -2.654 -8.953
56 H GLY 9 H GLY 9 -13.738 -6.939 -9.364
57 1HA GLY 9 2HA GLY 9 -15.212 -5.366 -11.204
58 2HA GLY 9 1HA GLY 9 -15.905 -6.639 -10.194
59 H TYR 10 H TYR 10 -15.325 -5.578 -7.718
60 HA TYR 10 HA TYR 10 -17.535 -3.799 -7.269
61 1HB TYR 10 2HB TYR 10 -17.017 -5.193 -5.419
62 2HB TYR 10 1HB TYR 10 -15.288 -4.957 -5.595
63 HD1 TYR 10 HD2 TYR 10 -18.413 -3.406 -4.343
64 HD2 TYR 10 HD1 TYR 10 -14.169 -3.073 -4.542
65 HE1 TYR 10 HE2 TYR 10 -18.465 -1.654 -2.634
66 HE2 TYR 10 HE1 TYR 10 -14.231 -1.323 -2.832
67 HH TYR 10 HH TYR 10 -16.664 -0.785 -0.833
68 H GLU 11 H GLU 11 -14.127 -3.424 -7.684
69 HA GLU 11 HA GLU 11 -12.730 -1.641 -8.073
70 1HB GLU 11 2HB GLU 11 -14.702 -1.090 -9.682
71 2HB GLU 11 1HB GLU 11 -15.197 0.101 -8.497
72 1HG GLU 11 2HG GLU 11 -12.529 0.736 -8.703
73 2HG GLU 11 1HG GLU 11 -12.806 0.077 -10.306
74 H VAL 12 H VAL 12 -11.705 -1.104 -6.303
75 HA VAL 12 HA VAL 12 -12.972 0.077 -3.975
76 HB VAL 12 HB VAL 12 -10.653 0.021 -3.046
77 1HG1 VAL 12 3HG1 VAL 12 -12.035 -2.064 -3.052
78 2HG1 VAL 12 2HG1 VAL 12 -11.289 -2.534 -4.572
79 3HG1 VAL 12 1HG1 VAL 12 -10.315 -2.398 -3.117
80 1HG2 VAL 12 1HG2 VAL 12 -9.899 -0.610 -5.936
81 2HG2 VAL 12 3HG2 VAL 12 -9.226 0.615 -4.875
82 3HG2 VAL 12 2HG2 VAL 12 -8.866 -1.079 -4.602
83 H HIS 13 H HIS 13 -11.324 1.857 -3.065
84 HA HIS 13 HA HIS 13 -11.936 4.265 -4.596
85 1HB HIS 13 2HB HIS 13 -11.074 3.603 -1.857
86 2HB HIS 13 1HB HIS 13 -10.106 4.926 -2.477
87 HD1 HIS 13 HD1 HIS 13 -13.232 4.392 -0.917
88 HD2 HIS 13 HD2 HIS 13 -11.895 7.050 -3.713
89 HE1 HIS 13 HE1 HIS 13 -14.843 6.261 -0.926
90 H HIS 14 H HIS 14 -8.884 3.300 -3.186
91 HA HIS 14 HA HIS 14 -7.474 3.396 -5.753
92 1HB HIS 14 2HB HIS 14 -5.887 4.934 -3.809
93 2HB HIS 14 1HB HIS 14 -6.415 5.440 -5.397
94 HD1 HIS 14 HD1 HIS 14 -7.214 5.907 -1.862
95 HD2 HIS 14 HD2 HIS 14 -8.926 6.871 -5.440
96 HE1 HIS 14 HE1 HIS 14 -8.950 7.590 -1.371
97 H GLN 15 H GLN 15 -8.160 1.760 -3.274
98 HA GLN 15 HA GLN 15 -5.857 0.952 -1.873
99 1HB GLN 15 2HB GLN 15 -8.500 -0.209 -2.541
100 2HB GLN 15 1HB GLN 15 -7.300 -1.434 -2.219
101 1HG GLN 15 2HG GLN 15 -6.928 -0.620 0.009
102 2HG GLN 15 1HG GLN 15 -7.693 0.925 -0.336
103 1HE2 GLN 15 2HE2 GLN 15 -10.115 -2.364 0.176
104 2HE2 GLN 15 1HE2 GLN 15 -8.546 -2.582 -0.438
105 H LYS 16 H LYS 16 -7.077 -0.219 -4.940
106 HA LYS 16 HA LYS 16 -5.253 -2.218 -5.518
107 1HB LYS 16 2HB LYS 16 -7.082 -0.434 -7.020
108 2HB LYS 16 1HB LYS 16 -5.725 -0.938 -7.996
109 1HG LYS 16 2HG LYS 16 -7.436 -2.888 -6.400
110 2HG LYS 16 1HG LYS 16 -7.758 -2.467 -8.073
111 1HD LYS 16 2HD LYS 16 -5.306 -3.115 -8.549
112 2HD LYS 16 1HD LYS 16 -5.281 -3.809 -6.941
113 1HE LYS 16 2HE LYS 16 -7.041 -5.400 -7.494
114 2HE LYS 16 1HE LYS 16 -7.400 -4.571 -9.003
115 1HZ LYS 16 3HZ LYS 16 -4.698 -5.264 -9.014
116 2HZ LYS 16 2HZ LYS 16 -5.595 -6.634 -8.559
117 3HZ LYS 16 1HZ LYS 16 -5.950 -5.834 -10.013
118 H LEU 17 H LEU 17 -4.963 1.169 -6.510
119 HA LEU 17 HA LEU 17 -2.314 0.869 -7.532
120 1HB LEU 17 2HB LEU 17 -2.553 3.085 -8.134
121 2HB LEU 17 1HB LEU 17 -4.222 2.773 -7.746
122 HG LEU 17 HG LEU 17 -3.682 3.610 -5.382
123 1HD1 LEU 17 1HD1 LEU 17 -1.036 3.905 -6.641
124 2HD1 LEU 17 3HD1 LEU 17 -1.610 5.473 -6.118
125 3HD1 LEU 17 2HD1 LEU 17 -1.474 4.162 -4.966
126 1HD2 LEU 17 1HD2 LEU 17 -4.995 4.860 -7.089
127 2HD2 LEU 17 3HD2 LEU 17 -4.041 5.952 -6.097
128 3HD2 LEU 17 2HD2 LEU 17 -3.509 5.547 -7.724
129 H VAL 18 H VAL 18 -3.503 1.794 -4.304
130 HA VAL 18 HA VAL 18 -1.110 2.647 -3.134
131 HB VAL 18 HB VAL 18 -3.578 1.199 -2.084
132 1HG1 VAL 18 1HG1 VAL 18 -1.171 2.054 -0.470
133 2HG1 VAL 18 3HG1 VAL 18 -2.767 1.792 0.230
134 3HG1 VAL 18 2HG1 VAL 18 -1.919 0.460 -0.537
135 1HG2 VAL 18 3HG2 VAL 18 -3.581 3.660 -2.845
136 2HG2 VAL 18 2HG2 VAL 18 -4.191 3.341 -1.233
137 3HG2 VAL 18 1HG2 VAL 18 -2.572 3.986 -1.447
138 H PHE 19 H PHE 19 -2.404 -0.639 -3.269
139 HA PHE 19 HA PHE 19 -0.254 -2.014 -2.046
140 1HB PHE 19 2HB PHE 19 -1.833 -3.158 -4.392
141 2HB PHE 19 1HB PHE 19 -1.125 -4.039 -3.053
142 HD1 PHE 19 HD1 PHE 19 -2.156 -2.110 -0.808
143 HD2 PHE 19 HD2 PHE 19 -4.062 -3.951 -4.154
144 HE1 PHE 19 HE1 PHE 19 -4.304 -2.016 0.358
145 HE2 PHE 19 HE2 PHE 19 -6.207 -3.853 -2.977
146 HZ PHE 19 HZ PHE 19 -6.334 -2.889 -0.719
147 H PHE 20 H PHE 20 -0.867 -1.393 -5.433
148 HA PHE 20 HA PHE 20 1.428 -2.530 -6.576
149 1HB PHE 20 2HB PHE 20 0.019 -1.888 -8.271
150 2HB PHE 20 1HB PHE 20 -0.713 -0.626 -7.318
151 HD1 PHE 20 HD2 PHE 20 2.356 -1.394 -9.261
152 HD2 PHE 20 HD1 PHE 20 -0.271 1.651 -7.867
153 HE1 PHE 20 HE2 PHE 20 3.554 0.266 -10.614
154 HE2 PHE 20 HE1 PHE 20 0.916 3.302 -9.203
155 HZ PHE 20 HZ PHE 20 2.839 2.625 -10.591
156 H ALA 21 H ALA 21 0.970 0.838 -5.621
157 HA ALA 21 HA ALA 21 3.518 1.870 -6.121
158 1HB ALA 21 2HB ALA 21 1.474 3.198 -5.439
159 2HB ALA 21 1HB ALA 21 1.682 2.620 -3.795
160 3HB ALA 21 3HB ALA 21 2.903 3.651 -4.523
161 H GLU 22 H GLU 22 2.371 0.346 -3.141
162 HA GLU 22 HA GLU 22 4.756 0.658 -1.646
163 1HB GLU 22 2HB GLU 22 2.746 -0.076 -0.523
164 2HB GLU 22 1HB GLU 22 2.516 -1.422 -1.609
165 1HG GLU 22 2HG GLU 22 4.943 -1.236 0.217
166 2HG GLU 22 1HG GLU 22 3.427 -1.923 0.771
167 H ASP 23 H ASP 23 3.702 -2.082 -3.607
168 HA ASP 23 HA ASP 23 5.892 -3.785 -3.420
169 1HB ASP 23 2HB ASP 23 3.704 -4.100 -4.824
170 2HB ASP 23 1HB ASP 23 4.522 -3.213 -6.078
171 H VAL 24 H VAL 24 5.360 -1.283 -5.730
172 HA VAL 24 HA VAL 24 7.754 -1.266 -7.174
173 HB VAL 24 HB VAL 24 5.797 0.965 -6.463
174 1HG1 VAL 24 2HG1 VAL 24 7.883 1.872 -7.452
175 2HG1 VAL 24 1HG1 VAL 24 7.583 0.870 -8.876
176 3HG1 VAL 24 3HG1 VAL 24 6.442 2.131 -8.424
177 1HG2 VAL 24 1HG2 VAL 24 5.195 -1.376 -7.734
178 2HG2 VAL 24 3HG2 VAL 24 4.380 0.147 -8.004
179 3HG2 VAL 24 2HG2 VAL 24 5.648 -0.383 -9.102
180 H GLY 25 H GLY 25 6.846 0.733 -4.462
181 1HA GLY 25 2HA GLY 25 9.071 2.327 -4.031
182 2HA GLY 25 1HA GLY 25 8.107 1.673 -2.703
183 H SER 26 H SER 26 8.546 -0.909 -2.827
184 HA SER 26 HA SER 26 11.155 -1.237 -1.660
185 1HB SER 26 2HB SER 26 9.131 -2.560 -0.949
186 2HB SER 26 1HB SER 26 9.173 -3.424 -2.493
187 HG SER 26 HG SER 26 10.660 -3.818 -0.320
188 H ASN 27 H ASN 27 9.748 -2.932 -4.404
189 HA ASN 27 HA ASN 27 12.166 -3.954 -5.436
190 1HB ASN 27 2HB ASN 27 9.388 -3.509 -6.641
191 2HB ASN 27 1HB ASN 27 10.638 -4.391 -7.493
192 1HD2 ASN 27 2HD2 ASN 27 8.463 -6.287 -4.716
193 2HD2 ASN 27 1HD2 ASN 27 8.061 -4.759 -5.335
194 H LYS 28 H LYS 28 10.172 -1.663 -7.230
195 HA LYS 28 HA LYS 28 12.132 -0.846 -9.049
196 1HB LYS 28 2HB LYS 28 9.517 -0.027 -8.395
197 2HB LYS 28 1HB LYS 28 10.458 1.427 -8.131
198 1HG LYS 28 2HG LYS 28 11.535 0.719 -10.490
199 2HG LYS 28 1HG LYS 28 10.039 -0.180 -10.640
200 1HD LYS 28 2HD LYS 28 9.090 2.296 -9.806
201 2HD LYS 28 1HD LYS 28 10.523 2.773 -10.692
202 1HE LYS 28 2HE LYS 28 8.623 2.736 -12.230
203 2HE LYS 28 1HE LYS 28 9.702 1.419 -12.663
204 1HZ LYS 28 1HZ LYS 28 7.893 0.491 -10.739
205 2HZ LYS 28 3HZ LYS 28 7.013 1.290 -11.949
206 3HZ LYS 28 2HZ LYS 28 8.054 0.014 -12.359
207 H GLY 29 H GLY 29 11.612 0.231 -5.763
208 1HA GLY 29 2HA GLY 29 13.371 2.452 -5.673
209 2HA GLY 29 1HA GLY 29 13.033 1.412 -4.289
210 H ALA 30 H ALA 30 14.095 -0.912 -4.688
211 HA ALA 30 HA ALA 30 16.908 -0.527 -4.439
212 1HB ALA 30 2HB ALA 30 15.704 -2.522 -3.543
213 2HB ALA 30 1HB ALA 30 15.380 -3.073 -5.180
214 3HB ALA 30 3HB ALA 30 17.031 -3.029 -4.575
215 H ILE 31 H ILE 31 14.999 -1.567 -7.168
216 HA ILE 31 HA ILE 31 17.023 -2.198 -8.993
217 HB ILE 31 HB ILE 31 14.176 -1.132 -9.167
218 1HG1 ILE 31 2HG1 ILE 31 15.386 -3.842 -9.825
219 2HG1 ILE 31 1HG1 ILE 31 14.621 -3.438 -8.312
220 1HG2 ILE 31 1HG2 ILE 31 15.821 -1.949 -11.581
221 2HG2 ILE 31 3HG2 ILE 31 14.086 -1.654 -11.576
222 3HG2 ILE 31 2HG2 ILE 31 15.185 -0.339 -11.240
223 1HD1 ILE 31 3HD1 ILE 31 12.509 -2.841 -9.708
224 2HD1 ILE 31 2HD1 ILE 31 13.293 -3.719 -11.013
225 3HD1 ILE 31 1HD1 ILE 31 12.908 -4.536 -9.509
226 H ILE 32 H ILE 32 15.361 0.929 -8.657
227 HA ILE 32 HA ILE 32 16.961 2.351 -10.480
228 HB ILE 32 HB ILE 32 15.627 3.314 -7.894
229 1HG1 ILE 32 2HG1 ILE 32 14.543 3.658 -10.709
230 2HG1 ILE 32 1HG1 ILE 32 14.262 2.166 -9.864
231 1HG2 ILE 32 3HG2 ILE 32 16.661 4.899 -10.293
232 2HG2 ILE 32 2HG2 ILE 32 15.618 5.580 -9.056
233 3HG2 ILE 32 1HG2 ILE 32 17.223 5.020 -8.633
234 1HD1 ILE 32 3HD1 ILE 32 13.314 3.563 -7.918
235 2HD1 ILE 32 2HD1 ILE 32 13.364 4.938 -9.011
236 3HD1 ILE 32 1HD1 ILE 32 12.356 3.552 -9.389
237 H GLY 33 H GLY 33 17.415 1.818 -7.027
238 1HA GLY 33 2HA GLY 33 19.733 3.355 -6.628
239 2HA GLY 33 1HA GLY 33 19.367 1.884 -5.727
240 H LEU 34 H LEU 34 19.601 -0.104 -7.568
241 HA LEU 34 HA LEU 34 22.449 -0.295 -7.839
242 1HB LEU 34 2HB LEU 34 22.068 -2.505 -8.493
243 2HB LEU 34 1HB LEU 34 20.589 -2.152 -7.648
244 HG LEU 34 HG LEU 34 19.755 -1.469 -10.119
245 1HD1 LEU 34 3HD1 LEU 34 22.035 -3.443 -10.565
246 2HD1 LEU 34 2HD1 LEU 34 20.735 -3.228 -11.722
247 3HD1 LEU 34 1HD1 LEU 34 21.809 -1.894 -11.357
248 1HD2 LEU 34 1HD2 LEU 34 18.866 -3.274 -8.539
249 2HD2 LEU 34 3HD2 LEU 34 18.689 -3.620 -10.250
250 3HD2 LEU 34 2HD2 LEU 34 19.969 -4.390 -9.325
251 H MET 35 H MET 35 19.923 0.494 -10.188
252 HA MET 35 HA MET 35 21.504 0.504 -12.525
253 1HB MET 35 2HB MET 35 18.840 1.192 -11.831
254 2HB MET 35 1HB MET 35 19.495 2.690 -12.441
255 1HG MET 35 2HG MET 35 19.160 1.952 -14.512
256 2HG MET 35 1HG MET 35 20.359 0.717 -14.285
257 1HE MET 35 3HE MET 35 19.877 -1.387 -13.033
258 2HE MET 35 2HE MET 35 18.398 -1.284 -12.076
259 3HE MET 35 1HE MET 35 18.496 -2.410 -13.428
260 H VAL 36 H VAL 36 20.787 3.049 -10.267
261 HA VAL 36 HA VAL 36 22.256 5.178 -11.387
262 HB VAL 36 HB VAL 36 21.371 4.509 -8.528
263 1HG1 VAL 36 3HG1 VAL 36 22.747 7.042 -9.546
264 2HG1 VAL 36 2HG1 VAL 36 21.821 6.981 -8.055
265 3HG1 VAL 36 1HG1 VAL 36 23.271 6.012 -8.223
266 1HG2 VAL 36 2HG2 VAL 36 19.719 5.089 -10.463
267 2HG2 VAL 36 1HG2 VAL 36 19.562 5.992 -8.970
268 3HG2 VAL 36 3HG2 VAL 36 20.361 6.716 -10.355
269 H GLY 37 H GLY 37 23.201 2.966 -8.747
270 1HA GLY 37 2HA GLY 37 25.767 2.354 -9.598
271 2HA GLY 37 1HA GLY 37 25.953 3.894 -8.762
272 H GLY 38 H GLY 38 23.975 1.027 -8.105
273 1HA GLY 38 2HA GLY 38 24.248 1.100 -5.274
274 2HA GLY 38 1HA GLY 38 23.805 -0.339 -6.194
275 H VAL 39 H VAL 39 26.117 -0.393 -7.778
276 HA VAL 39 HA VAL 39 28.297 -1.073 -5.877
277 HB VAL 39 HB VAL 39 27.691 -2.607 -8.467
278 1HG1 VAL 39 2HG1 VAL 39 29.982 -2.870 -7.469
279 2HG1 VAL 39 1HG1 VAL 39 29.256 -3.384 -5.958
280 3HG1 VAL 39 3HG1 VAL 39 29.078 -4.369 -7.402
281 1HG2 VAL 39 2HG2 VAL 39 26.648 -3.186 -5.662
282 2HG2 VAL 39 1HG2 VAL 39 25.697 -2.942 -7.119
283 3HG2 VAL 39 3HG2 VAL 39 26.674 -4.389 -6.941
284 H VAL 40 H VAL 40 28.028 1.311 -6.852
285 HA VAL 40 HA VAL 40 29.118 3.062 -7.830
286 HB VAL 40 HB VAL 40 31.126 0.892 -8.597
287 1HG1 VAL 40 3HG1 VAL 40 31.362 3.935 -8.683
288 2HG1 VAL 40 2HG1 VAL 40 32.733 2.846 -8.825
289 3HG1 VAL 40 1HG1 VAL 40 31.484 2.845 -10.055
290 1HG2 VAL 40 2HG2 VAL 40 31.085 2.887 -6.296
291 2HG2 VAL 40 1HG2 VAL 40 30.838 1.153 -6.157
292 3HG2 VAL 40 3HG2 VAL 40 32.400 1.777 -6.648
No H/Q in entry = 292
Start of MODEL 9
1 1H ASP 1 2H ASP 1 -2.160 23.165 -8.690
2 2H ASP 1 1H ASP 1 -2.055 22.852 -7.025
3 3H ASP 1 3H ASP 1 -0.655 23.229 -7.908
4 HA ASP 1 HA ASP 1 -0.298 21.120 -8.345
5 1HB ASP 1 2HB ASP 1 -2.960 20.666 -6.898
6 2HB ASP 1 1HB ASP 1 -1.824 19.387 -7.299
7 H ALA 2 H ALA 2 -0.344 20.982 -10.498
8 HA ALA 2 HA ALA 2 -2.656 19.743 -11.799
9 1HB ALA 2 1HB ALA 2 -3.145 22.222 -11.876
10 2HB ALA 2 3HB ALA 2 -1.656 22.454 -12.777
11 3HB ALA 2 2HB ALA 2 -2.968 21.509 -13.467
12 H GLU 3 H GLU 3 -0.912 18.205 -11.777
13 HA GLU 3 HA GLU 3 1.415 18.604 -13.491
14 1HB GLU 3 2HB GLU 3 1.005 16.935 -11.410
15 2HB GLU 3 1HB GLU 3 0.500 15.852 -12.690
16 1HG GLU 3 2HG GLU 3 2.839 16.797 -13.789
17 2HG GLU 3 1HG GLU 3 3.222 17.014 -12.097
18 H PHE 4 H PHE 4 -1.787 17.626 -13.926
19 HA PHE 4 HA PHE 4 -3.046 17.069 -15.772
20 1HB PHE 4 2HB PHE 4 -0.525 17.430 -17.482
21 2HB PHE 4 1HB PHE 4 -2.194 17.563 -17.998
22 HD1 PHE 4 HD2 PHE 4 -3.611 19.275 -16.363
23 HD2 PHE 4 HD1 PHE 4 0.561 19.508 -17.213
24 HE1 PHE 4 HE2 PHE 4 -3.630 21.659 -15.808
25 HE2 PHE 4 HE1 PHE 4 0.533 21.893 -16.657
26 HZ PHE 4 HZ PHE 4 -1.557 22.976 -15.952
27 H ARG 5 H ARG 5 -1.632 15.097 -14.258
28 HA ARG 5 HA ARG 5 -1.148 12.905 -16.228
29 1HB ARG 5 2HB ARG 5 -0.259 13.512 -13.419
30 2HB ARG 5 1HB ARG 5 -0.632 11.826 -13.702
31 1HG ARG 5 2HG ARG 5 1.738 12.239 -14.165
32 2HG ARG 5 1HG ARG 5 0.909 11.761 -15.631
33 1HD ARG 5 2HD ARG 5 1.120 13.867 -16.608
34 2HD ARG 5 1HD ARG 5 1.059 14.710 -15.062
35 HE ARG 5 HE ARG 5 3.444 13.201 -15.090
36 1HH1 ARG 5 2HH1 ARG 5 1.963 15.845 -16.763
37 2HH1 ARG 5 1HH1 ARG 5 3.470 16.614 -17.130
38 1HH2 ARG 5 1HH2 ARG 5 5.371 14.150 -15.544
39 2HH2 ARG 5 2HH2 ARG 5 5.432 15.635 -16.432
40 H HIS 6 H HIS 6 -3.515 13.417 -16.564
41 HA HIS 6 HA HIS 6 -5.416 12.326 -14.672
42 1HB HIS 6 2HB HIS 6 -5.809 13.224 -17.563
43 2HB HIS 6 1HB HIS 6 -7.055 13.044 -16.341
44 HD1 HIS 6 HD1 HIS 6 -5.128 14.464 -14.151
45 HD2 HIS 6 HD2 HIS 6 -6.314 16.036 -17.723
46 HE1 HIS 6 HE1 HIS 6 -4.927 16.916 -13.933
47 H ASP 7 H ASP 7 -3.403 10.536 -15.582
48 HA ASP 7 HA ASP 7 -4.472 8.652 -17.481
49 1HB ASP 7 2HB ASP 7 -2.522 7.229 -16.279
50 2HB ASP 7 1HB ASP 7 -2.134 8.507 -17.410
51 H SER 8 H SER 8 -5.696 6.892 -17.083
52 HA SER 8 HA SER 8 -7.126 6.649 -14.612
53 1HB SER 8 2HB SER 8 -6.911 4.715 -16.974
54 2HB SER 8 1HB SER 8 -8.125 4.608 -15.684
55 HG SER 8 HG SER 8 -8.087 6.213 -17.815
56 H GLY 9 H GLY 9 -6.979 5.173 -12.977
57 1HA GLY 9 2HA GLY 9 -4.348 4.037 -12.430
58 2HA GLY 9 1HA GLY 9 -5.761 3.958 -11.377
59 H TYR 10 H TYR 10 -7.518 2.514 -12.124
60 HA TYR 10 HA TYR 10 -6.846 0.314 -13.929
61 1HB TYR 10 2HB TYR 10 -5.847 -0.982 -12.321
62 2HB TYR 10 1HB TYR 10 -6.260 0.144 -11.054
63 HD1 TYR 10 HD2 TYR 10 -7.978 -2.486 -13.154
64 HD2 TYR 10 HD1 TYR 10 -7.585 -0.639 -9.343
65 HE1 TYR 10 HE2 TYR 10 -9.577 -4.085 -12.202
66 HE2 TYR 10 HE1 TYR 10 -9.167 -2.244 -8.402
67 HH TYR 10 HH TYR 10 -11.199 -3.711 -9.551
68 H GLU 11 H GLU 11 -9.013 0.731 -11.101
69 HA GLU 11 HA GLU 11 -11.339 1.196 -12.722
70 1HB GLU 11 2HB GLU 11 -10.623 -1.494 -12.702
71 2HB GLU 11 1HB GLU 11 -11.728 -1.442 -11.351
72 1HG GLU 11 2HG GLU 11 -13.087 -1.907 -13.263
73 2HG GLU 11 1HG GLU 11 -13.364 -0.206 -12.940
74 H VAL 12 H VAL 12 -10.336 -0.210 -9.595
75 HA VAL 12 HA VAL 12 -12.666 0.809 -8.212
76 HB VAL 12 HB VAL 12 -11.591 -0.020 -6.185
77 1HG1 VAL 12 3HG1 VAL 12 -11.370 -1.825 -8.603
78 2HG1 VAL 12 2HG1 VAL 12 -11.017 -2.405 -6.982
79 3HG1 VAL 12 1HG1 VAL 12 -12.607 -1.776 -7.366
80 1HG2 VAL 12 3HG2 VAL 12 -9.069 -0.009 -7.857
81 2HG2 VAL 12 2HG2 VAL 12 -9.336 0.678 -6.270
82 3HG2 VAL 12 1HG2 VAL 12 -9.208 -1.058 -6.455
83 H HIS 13 H HIS 13 -11.704 1.831 -5.975
84 HA HIS 13 HA HIS 13 -11.388 4.614 -6.515
85 1HB HIS 13 2HB HIS 13 -11.174 2.844 -4.076
86 2HB HIS 13 1HB HIS 13 -10.751 4.550 -3.939
87 HD1 HIS 13 HD1 HIS 13 -13.668 2.388 -4.763
88 HD2 HIS 13 HD2 HIS 13 -12.917 6.323 -3.983
89 HE1 HIS 13 HE1 HIS 13 -15.870 3.479 -4.521
90 H HIS 14 H HIS 14 -9.048 3.151 -4.368
91 HA HIS 14 HA HIS 14 -6.841 3.492 -6.220
92 1HB HIS 14 2HB HIS 14 -5.981 4.972 -3.918
93 2HB HIS 14 1HB HIS 14 -6.256 5.637 -5.514
94 HD1 HIS 14 HD1 HIS 14 -7.935 5.303 -2.227
95 HD2 HIS 14 HD2 HIS 14 -8.653 7.102 -5.818
96 HE1 HIS 14 HE1 HIS 14 -9.856 6.812 -1.875
97 H GLN 15 H GLN 15 -8.222 1.826 -3.931
98 HA GLN 15 HA GLN 15 -6.151 1.099 -2.104
99 1HB GLN 15 2HB GLN 15 -8.581 0.412 -1.920
100 2HB GLN 15 1HB GLN 15 -8.353 -0.699 -3.255
101 1HG GLN 15 2HG GLN 15 -7.010 -2.156 -2.005
102 2HG GLN 15 1HG GLN 15 -6.510 -0.910 -0.865
103 1HE2 GLN 15 2HE2 GLN 15 -9.261 -1.399 1.297
104 2HE2 GLN 15 1HE2 GLN 15 -7.905 -0.445 0.930
105 H LYS 16 H LYS 16 -7.001 -0.160 -5.251
106 HA LYS 16 HA LYS 16 -5.116 -2.231 -5.468
107 1HB LYS 16 2HB LYS 16 -7.010 -1.804 -7.077
108 2HB LYS 16 1HB LYS 16 -6.152 -0.395 -7.670
109 1HG LYS 16 2HG LYS 16 -5.703 -2.237 -9.202
110 2HG LYS 16 1HG LYS 16 -4.226 -1.894 -8.341
111 1HD LYS 16 2HD LYS 16 -4.208 -3.892 -7.271
112 2HD LYS 16 1HD LYS 16 -5.920 -3.846 -6.910
113 1HE LYS 16 2HE LYS 16 -4.767 -4.579 -9.646
114 2HE LYS 16 1HE LYS 16 -5.374 -5.731 -8.464
115 1HZ LYS 16 3HZ LYS 16 -7.313 -3.767 -8.828
116 2HZ LYS 16 2HZ LYS 16 -6.812 -4.283 -10.365
117 3HZ LYS 16 1HZ LYS 16 -7.392 -5.412 -9.237
118 H LEU 17 H LEU 17 -4.850 1.123 -6.588
119 HA LEU 17 HA LEU 17 -2.160 0.888 -7.463
120 1HB LEU 17 2HB LEU 17 -2.474 3.064 -8.129
121 2HB LEU 17 1HB LEU 17 -4.137 2.747 -7.713
122 HG LEU 17 HG LEU 17 -3.618 3.638 -5.399
123 1HD1 LEU 17 1HD1 LEU 17 -0.947 3.913 -6.639
124 2HD1 LEU 17 3HD1 LEU 17 -1.518 5.478 -6.104
125 3HD1 LEU 17 2HD1 LEU 17 -1.391 4.158 -4.962
126 1HD2 LEU 17 3HD2 LEU 17 -4.884 4.870 -7.145
127 2HD2 LEU 17 2HD2 LEU 17 -3.931 5.977 -6.168
128 3HD2 LEU 17 1HD2 LEU 17 -3.382 5.525 -7.776
129 H VAL 18 H VAL 18 -3.508 1.826 -4.306
130 HA VAL 18 HA VAL 18 -1.211 2.722 -3.011
131 HB VAL 18 HB VAL 18 -3.750 1.280 -2.186
132 1HG1 VAL 18 2HG1 VAL 18 -1.463 1.863 -0.303
133 2HG1 VAL 18 1HG1 VAL 18 -3.134 1.688 0.229
134 3HG1 VAL 18 3HG1 VAL 18 -2.321 0.342 -0.546
135 1HG2 VAL 18 1HG2 VAL 18 -3.601 3.772 -2.760
136 2HG2 VAL 18 3HG2 VAL 18 -4.375 3.352 -1.244
137 3HG2 VAL 18 2HG2 VAL 18 -2.727 3.963 -1.248
138 H PHE 19 H PHE 19 -2.410 -0.612 -3.104
139 HA PHE 19 HA PHE 19 -0.145 -1.803 -1.843
140 1HB PHE 19 2HB PHE 19 -2.235 -2.925 -3.763
141 2HB PHE 19 1HB PHE 19 -1.013 -3.946 -3.025
142 HD1 PHE 19 HD1 PHE 19 -0.762 -3.299 -0.309
143 HD2 PHE 19 HD2 PHE 19 -4.309 -3.043 -2.663
144 HE1 PHE 19 HE1 PHE 19 -2.123 -3.487 1.718
145 HE2 PHE 19 HE2 PHE 19 -5.661 -3.237 -0.625
146 HZ PHE 19 HZ PHE 19 -4.578 -3.456 1.564
147 H PHE 20 H PHE 20 -0.912 -1.403 -5.257
148 HA PHE 20 HA PHE 20 1.306 -2.661 -6.413
149 1HB PHE 20 2HB PHE 20 -0.125 -2.011 -8.106
150 2HB PHE 20 1HB PHE 20 -0.768 -0.686 -7.170
151 HD1 PHE 20 HD1 PHE 20 2.145 -1.675 -9.233
152 HD2 PHE 20 HD2 PHE 20 -0.162 1.573 -7.731
153 HE1 PHE 20 HE1 PHE 20 3.399 -0.119 -10.656
154 HE2 PHE 20 HE2 PHE 20 1.077 3.119 -9.137
155 HZ PHE 20 HZ PHE 20 2.870 2.288 -10.616
156 H ALA 21 H ALA 21 0.963 0.733 -5.543
157 HA ALA 21 HA ALA 21 3.512 1.715 -6.131
158 1HB ALA 21 3HB ALA 21 1.542 3.124 -5.469
159 2HB ALA 21 2HB ALA 21 1.671 2.522 -3.826
160 3HB ALA 21 1HB ALA 21 2.952 3.518 -4.498
161 H GLU 22 H GLU 22 2.367 0.229 -3.153
162 HA GLU 22 HA GLU 22 4.713 0.525 -1.607
163 1HB GLU 22 2HB GLU 22 2.349 -0.500 -0.997
164 2HB GLU 22 1HB GLU 22 3.021 -2.021 -1.552
165 1HG GLU 22 2HG GLU 22 4.922 -1.697 0.105
166 2HG GLU 22 1HG GLU 22 4.073 -0.285 0.720
167 H ASP 23 H ASP 23 3.781 -2.161 -3.675
168 HA ASP 23 HA ASP 23 6.087 -3.756 -3.500
169 1HB ASP 23 2HB ASP 23 3.867 -4.184 -4.844
170 2HB ASP 23 1HB ASP 23 4.640 -3.317 -6.138
171 H VAL 24 H VAL 24 5.334 -1.282 -5.799
172 HA VAL 24 HA VAL 24 7.666 -1.141 -7.326
173 HB VAL 24 HB VAL 24 5.803 1.135 -6.514
174 1HG1 VAL 24 3HG1 VAL 24 7.862 1.801 -7.737
175 2HG1 VAL 24 2HG1 VAL 24 7.350 0.784 -9.079
176 3HG1 VAL 24 1HG1 VAL 24 6.365 2.161 -8.586
177 1HG2 VAL 24 2HG2 VAL 24 5.081 -1.288 -7.755
178 2HG2 VAL 24 1HG2 VAL 24 4.182 0.217 -7.774
179 3HG2 VAL 24 3HG2 VAL 24 5.273 -0.180 -9.090
180 H GLY 25 H GLY 25 6.858 0.663 -4.445
181 1HA GLY 25 2HA GLY 25 9.022 2.361 -4.071
182 2HA GLY 25 1HA GLY 25 8.223 1.544 -2.725
183 H SER 26 H SER 26 8.780 -0.959 -3.035
184 HA SER 26 HA SER 26 11.491 -1.238 -2.141
185 1HB SER 26 2HB SER 26 9.605 -2.753 -1.410
186 2HB SER 26 1HB SER 26 9.583 -3.466 -3.028
187 HG SER 26 HG SER 26 12.110 -3.326 -2.151
188 H ASN 27 H ASN 27 9.917 -2.577 -4.998
189 HA ASN 27 HA ASN 27 12.226 -3.534 -6.289
190 1HB ASN 27 2HB ASN 27 9.530 -2.592 -7.405
191 2HB ASN 27 1HB ASN 27 10.703 -3.486 -8.350
192 1HD2 ASN 27 2HD2 ASN 27 9.272 -6.501 -7.276
193 2HD2 ASN 27 1HD2 ASN 27 9.906 -5.573 -8.548
194 H LYS 28 H LYS 28 10.436 -0.747 -7.493
195 HA LYS 28 HA LYS 28 12.443 0.284 -9.174
196 1HB LYS 28 2HB LYS 28 11.019 2.087 -9.442
197 2HB LYS 28 1HB LYS 28 9.895 1.095 -8.546
198 1HG LYS 28 2HG LYS 28 10.535 2.276 -6.432
199 2HG LYS 28 1HG LYS 28 11.694 3.239 -7.317
200 1HD LYS 28 2HD LYS 28 10.150 4.696 -8.045
201 2HD LYS 28 1HD LYS 28 9.094 3.430 -8.629
202 1HE LYS 28 2HE LYS 28 8.548 3.112 -6.032
203 2HE LYS 28 1HE LYS 28 9.156 4.756 -5.916
204 1HZ LYS 28 2HZ LYS 28 7.420 4.602 -8.103
205 2HZ LYS 28 1HZ LYS 28 6.658 3.874 -6.772
206 3HZ LYS 28 3HZ LYS 28 7.228 5.470 -6.656
207 H GLY 29 H GLY 29 12.024 0.605 -5.716
208 1HA GLY 29 2HA GLY 29 13.922 2.628 -5.135
209 2HA GLY 29 1HA GLY 29 13.521 1.305 -4.035
210 H ALA 30 H ALA 30 14.417 -0.892 -4.979
211 HA ALA 30 HA ALA 30 17.247 -0.791 -4.723
212 1HB ALA 30 3HB ALA 30 15.496 -2.963 -5.977
213 2HB ALA 30 2HB ALA 30 17.159 -3.201 -5.456
214 3HB ALA 30 1HB ALA 30 15.911 -2.843 -4.274
215 H ILE 31 H ILE 31 15.254 -1.071 -7.590
216 HA ILE 31 HA ILE 31 17.222 -1.391 -9.543
217 HB ILE 31 HB ILE 31 14.454 -0.141 -9.394
218 1HG1 ILE 31 2HG1 ILE 31 15.490 -2.665 -10.731
219 2HG1 ILE 31 1HG1 ILE 31 14.762 -2.604 -9.148
220 1HG2 ILE 31 1HG2 ILE 31 15.536 1.076 -11.242
221 2HG2 ILE 31 3HG2 ILE 31 15.973 -0.452 -12.004
222 3HG2 ILE 31 2HG2 ILE 31 14.284 0.012 -11.829
223 1HD1 ILE 31 2HD1 ILE 31 12.665 -1.617 -10.240
224 2HD1 ILE 31 1HD1 ILE 31 13.382 -2.043 -11.789
225 3HD1 ILE 31 3HD1 ILE 31 13.010 -3.294 -10.620
226 H ILE 32 H ILE 32 15.797 1.678 -8.475
227 HA ILE 32 HA ILE 32 17.485 3.374 -9.967
228 HB ILE 32 HB ILE 32 16.175 3.832 -7.230
229 1HG1 ILE 32 2HG1 ILE 32 15.168 4.806 -9.932
230 2HG1 ILE 32 1HG1 ILE 32 14.747 3.217 -9.368
231 1HG2 ILE 32 1HG2 ILE 32 17.361 5.811 -9.237
232 2HG2 ILE 32 3HG2 ILE 32 16.321 6.295 -7.909
233 3HG2 ILE 32 2HG2 ILE 32 17.877 5.560 -7.577
234 1HD1 ILE 32 3HD1 ILE 32 13.862 4.292 -7.222
235 2HD1 ILE 32 2HD1 ILE 32 14.088 5.851 -7.999
236 3HD1 ILE 32 1HD1 ILE 32 12.962 4.689 -8.676
237 H GLY 33 H GLY 33 17.852 2.093 -6.694
238 1HA GLY 33 2HA GLY 33 20.267 3.339 -5.976
239 2HA GLY 33 1HA GLY 33 19.797 1.728 -5.422
240 H LEU 34 H LEU 34 19.839 0.243 -7.672
241 HA LEU 34 HA LEU 34 22.595 -0.291 -8.086
242 1HB LEU 34 2HB LEU 34 20.140 -1.074 -9.727
243 2HB LEU 34 1HB LEU 34 21.727 -1.756 -10.013
244 HG LEU 34 HG LEU 34 20.522 -1.870 -7.218
245 1HD1 LEU 34 1HD1 LEU 34 18.819 -2.813 -8.792
246 2HD1 LEU 34 3HD1 LEU 34 20.037 -3.898 -9.441
247 3HD1 LEU 34 2HD1 LEU 34 19.520 -4.054 -7.770
248 1HD2 LEU 34 2HD2 LEU 34 22.931 -2.490 -7.566
249 2HD2 LEU 34 1HD2 LEU 34 21.974 -3.861 -7.040
250 3HD2 LEU 34 3HD2 LEU 34 22.438 -3.711 -8.726
251 H MET 35 H MET 35 20.276 1.319 -10.229
252 HA MET 35 HA MET 35 21.946 1.853 -12.409
253 1HB MET 35 2HB MET 35 19.444 2.279 -12.204
254 2HB MET 35 1HB MET 35 19.809 3.724 -11.284
255 1HG MET 35 2HG MET 35 19.416 4.247 -13.638
256 2HG MET 35 1HG MET 35 21.040 4.663 -13.156
257 1HE MET 35 3HE MET 35 21.517 5.161 -15.542
258 2HE MET 35 2HE MET 35 21.544 4.001 -16.868
259 3HE MET 35 1HE MET 35 20.003 4.563 -16.223
260 H VAL 36 H VAL 36 21.378 3.812 -9.577
261 HA VAL 36 HA VAL 36 23.135 5.964 -10.107
262 HB VAL 36 HB VAL 36 22.046 4.755 -7.507
263 1HG1 VAL 36 1HG1 VAL 36 23.798 7.225 -7.877
264 2HG1 VAL 36 3HG1 VAL 36 22.766 7.004 -6.474
265 3HG1 VAL 36 2HG1 VAL 36 24.070 5.876 -6.787
266 1HG2 VAL 36 2HG2 VAL 36 20.465 5.900 -9.128
267 2HG2 VAL 36 1HG2 VAL 36 20.545 6.674 -7.556
268 3HG2 VAL 36 3HG2 VAL 36 21.392 7.375 -8.924
269 H GLY 37 H GLY 37 23.660 3.068 -8.127
270 1HA GLY 37 2HA GLY 37 25.893 1.909 -8.675
271 2HA GLY 37 1HA GLY 37 26.611 3.466 -8.235
272 H GLY 38 H GLY 38 27.156 3.693 -6.190
273 1HA GLY 38 2HA GLY 38 26.920 3.647 -3.825
274 2HA GLY 38 1HA GLY 38 25.594 2.498 -3.984
275 H VAL 39 H VAL 39 27.163 0.839 -5.816
276 HA VAL 39 HA VAL 39 29.065 -0.427 -3.911
277 HB VAL 39 HB VAL 39 27.398 -1.907 -6.014
278 1HG1 VAL 39 1HG1 VAL 39 28.974 -2.781 -3.550
279 2HG1 VAL 39 3HG1 VAL 39 27.844 -3.839 -4.375
280 3HG1 VAL 39 2HG1 VAL 39 29.260 -3.254 -5.216
281 1HG2 VAL 39 2HG2 VAL 39 26.680 -1.261 -3.123
282 2HG2 VAL 39 1HG2 VAL 39 25.725 -0.945 -4.563
283 3HG2 VAL 39 3HG2 VAL 39 25.940 -2.590 -3.999
284 H VAL 40 H VAL 40 29.673 1.581 -5.782
285 HA VAL 40 HA VAL 40 30.833 0.418 -8.185
286 HB VAL 40 HB VAL 40 31.497 3.139 -6.960
287 1HG1 VAL 40 3HG1 VAL 40 31.514 2.083 -9.828
288 2HG1 VAL 40 2HG1 VAL 40 31.870 3.739 -9.372
289 3HG1 VAL 40 1HG1 VAL 40 32.934 2.445 -8.862
290 1HG2 VAL 40 2HG2 VAL 40 29.118 2.319 -8.682
291 2HG2 VAL 40 1HG2 VAL 40 29.073 3.076 -7.095
292 3HG2 VAL 40 3HG2 VAL 40 29.633 3.989 -8.483
No H/Q in entry = 292
Start of MODEL 10
1 1H ASP 1 2H ASP 1 3.263 22.254 -9.342
2 2H ASP 1 1H ASP 1 3.008 23.725 -10.148
3 3H ASP 1 3H ASP 1 4.376 23.522 -9.160
4 HA ASP 1 HA ASP 1 3.288 24.273 -7.421
5 1HB ASP 1 2HB ASP 1 1.144 25.380 -7.763
6 2HB ASP 1 1HB ASP 1 2.006 25.530 -9.280
7 H ALA 2 H ALA 2 0.651 23.893 -6.524
8 HA ALA 2 HA ALA 2 0.301 20.957 -6.280
9 1HB ALA 2 2HB ALA 2 0.563 22.936 -3.978
10 2HB ALA 2 1HB ALA 2 -0.064 21.307 -3.783
11 3HB ALA 2 3HB ALA 2 1.602 21.550 -4.292
12 H GLU 3 H GLU 3 -1.755 20.383 -6.347
13 HA GLU 3 HA GLU 3 -3.817 22.417 -6.729
14 1HB GLU 3 2HB GLU 3 -3.539 20.241 -8.050
15 2HB GLU 3 1HB GLU 3 -4.114 19.363 -6.652
16 1HG GLU 3 2HG GLU 3 -6.223 20.796 -6.720
17 2HG GLU 3 1HG GLU 3 -5.612 21.547 -8.186
18 H PHE 4 H PHE 4 -4.921 19.607 -5.059
19 HA PHE 4 HA PHE 4 -4.674 20.750 -2.375
20 1HB PHE 4 2HB PHE 4 -7.305 20.787 -3.905
21 2HB PHE 4 1HB PHE 4 -7.296 20.735 -2.151
22 HD1 PHE 4 HD2 PHE 4 -5.776 22.529 -0.953
23 HD2 PHE 4 HD1 PHE 4 -7.165 22.892 -4.968
24 HE1 PHE 4 HE2 PHE 4 -5.413 24.951 -0.862
25 HE2 PHE 4 HE1 PHE 4 -6.799 25.314 -4.871
26 HZ PHE 4 HZ PHE 4 -5.922 26.348 -2.820
27 H ARG 5 H ARG 5 -3.713 18.831 -1.922
28 HA ARG 5 HA ARG 5 -3.486 16.622 -1.298
29 1HB ARG 5 2HB ARG 5 -5.449 17.837 0.210
30 2HB ARG 5 1HB ARG 5 -6.357 16.481 -0.407
31 1HG ARG 5 2HG ARG 5 -5.410 15.673 1.617
32 2HG ARG 5 1HG ARG 5 -4.367 14.997 0.380
33 1HD ARG 5 2HD ARG 5 -2.666 16.688 0.775
34 2HD ARG 5 1HD ARG 5 -3.751 17.631 1.798
35 HE ARG 5 HE ARG 5 -3.587 15.094 2.980
36 1HH1 ARG 5 2HH1 ARG 5 -1.470 17.703 2.140
37 2HH1 ARG 5 1HH1 ARG 5 -0.368 17.384 3.436
38 1HH2 ARG 5 1HH2 ARG 5 -2.207 14.667 4.635
39 2HH2 ARG 5 2HH2 ARG 5 -0.792 15.637 4.873
40 H HIS 6 H HIS 6 -4.526 17.083 -3.948
41 HA HIS 6 HA HIS 6 -5.842 14.483 -4.574
42 1HB HIS 6 2HB HIS 6 -7.166 16.555 -5.130
43 2HB HIS 6 1HB HIS 6 -5.820 17.128 -6.094
44 HD1 HIS 6 HD1 HIS 6 -8.115 16.845 -7.769
45 HD2 HIS 6 HD2 HIS 6 -5.966 13.478 -6.941
46 HE1 HIS 6 HE1 HIS 6 -8.678 15.208 -9.527
47 H ASP 7 H ASP 7 -4.657 16.036 -7.157
48 HA ASP 7 HA ASP 7 -2.474 14.185 -7.569
49 1HB ASP 7 2HB ASP 7 -2.199 15.774 -9.664
50 2HB ASP 7 1HB ASP 7 -3.605 14.733 -9.575
51 H SER 8 H SER 8 -2.194 15.908 -5.326
52 HA SER 8 HA SER 8 0.526 16.760 -5.627
53 1HB SER 8 2HB SER 8 0.003 19.192 -4.934
54 2HB SER 8 1HB SER 8 -0.642 18.793 -6.533
55 HG SER 8 HG SER 8 -1.975 19.464 -4.330
56 H GLY 9 H GLY 9 -1.178 15.001 -4.006
57 1HA GLY 9 2HA GLY 9 0.157 15.291 -1.499
58 2HA GLY 9 1HA GLY 9 -1.462 15.947 -1.334
59 H TYR 10 H TYR 10 -2.307 13.818 -3.403
60 HA TYR 10 HA TYR 10 -3.002 11.759 -1.449
61 1HB TYR 10 2HB TYR 10 -4.454 12.890 -3.345
62 2HB TYR 10 1HB TYR 10 -3.677 11.755 -4.420
63 HD1 TYR 10 HD2 TYR 10 -3.764 9.561 -1.882
64 HD2 TYR 10 HD1 TYR 10 -6.574 11.906 -4.079
65 HE1 TYR 10 HE2 TYR 10 -5.504 7.941 -1.389
66 HE2 TYR 10 HE1 TYR 10 -8.317 10.271 -3.573
67 HH TYR 10 HH TYR 10 -8.731 8.534 -1.716
68 H GLU 11 H GLU 11 -3.046 9.817 -3.790
69 HA GLU 11 HA GLU 11 -0.355 9.224 -4.593
70 1HB GLU 11 2HB GLU 11 -0.537 8.544 -2.015
71 2HB GLU 11 1HB GLU 11 -1.512 7.219 -2.595
72 1HG GLU 11 2HG GLU 11 1.137 7.665 -3.981
73 2HG GLU 11 1HG GLU 11 1.192 7.065 -2.337
74 H VAL 12 H VAL 12 -3.553 8.058 -3.798
75 HA VAL 12 HA VAL 12 -3.854 6.891 -6.508
76 HB VAL 12 HB VAL 12 -4.831 4.823 -5.615
77 1HG1 VAL 12 2HG1 VAL 12 -2.358 4.879 -5.737
78 2HG1 VAL 12 1HG1 VAL 12 -2.335 5.315 -4.021
79 3HG1 VAL 12 3HG1 VAL 12 -3.026 3.793 -4.536
80 1HG2 VAL 12 1HG2 VAL 12 -5.963 5.804 -3.593
81 2HG2 VAL 12 3HG2 VAL 12 -5.042 4.373 -3.202
82 3HG2 VAL 12 2HG2 VAL 12 -4.395 5.960 -2.817
83 H HIS 13 H HIS 13 -6.136 5.787 -6.236
84 HA HIS 13 HA HIS 13 -8.296 7.472 -5.235
85 1HB HIS 13 2HB HIS 13 -7.754 6.994 -8.227
86 2HB HIS 13 1HB HIS 13 -9.297 7.578 -7.611
87 HD1 HIS 13 HD1 HIS 13 -5.946 8.765 -8.403
88 HD2 HIS 13 HD2 HIS 13 -9.135 10.182 -6.283
89 HE1 HIS 13 HE1 HIS 13 -5.531 11.171 -8.045
90 H HIS 14 H HIS 14 -6.755 4.728 -5.581
91 HA HIS 14 HA HIS 14 -9.012 2.959 -5.105
92 1HB HIS 14 2HB HIS 14 -7.250 2.792 -7.568
93 2HB HIS 14 1HB HIS 14 -7.997 1.339 -6.951
94 HD1 HIS 14 HD1 HIS 14 -10.777 1.815 -6.578
95 HD2 HIS 14 HD2 HIS 14 -8.734 4.066 -9.261
96 HE1 HIS 14 HE1 HIS 14 -12.483 2.773 -8.085
97 H GLN 15 H GLN 15 -8.373 1.587 -3.533
98 HA GLN 15 HA GLN 15 -5.803 1.691 -2.336
99 1HB GLN 15 2HB GLN 15 -8.110 0.825 -1.409
100 2HB GLN 15 1HB GLN 15 -7.616 -0.723 -2.067
101 1HG GLN 15 2HG GLN 15 -5.384 -0.350 -0.721
102 2HG GLN 15 1HG GLN 15 -6.275 0.908 0.124
103 1HE2 GLN 15 2HE2 GLN 15 -8.337 -1.374 1.901
104 2HE2 GLN 15 1HE2 GLN 15 -8.150 0.242 1.416
105 H LYS 16 H LYS 16 -6.770 0.125 -5.131
106 HA LYS 16 HA LYS 16 -5.084 -2.202 -5.100
107 1HB LYS 16 2HB LYS 16 -7.028 -2.056 -6.637
108 2HB LYS 16 1HB LYS 16 -6.390 -0.599 -7.366
109 1HG LYS 16 2HG LYS 16 -6.026 -2.665 -8.759
110 2HG LYS 16 1HG LYS 16 -4.538 -1.821 -8.379
111 1HD LYS 16 2HD LYS 16 -3.928 -3.397 -6.700
112 2HD LYS 16 1HD LYS 16 -5.544 -4.069 -6.613
113 1HE LYS 16 2HE LYS 16 -3.785 -4.256 -9.108
114 2HE LYS 16 1HE LYS 16 -3.856 -5.516 -7.886
115 1HZ LYS 16 2HZ LYS 16 -6.473 -4.839 -8.577
116 2HZ LYS 16 1HZ LYS 16 -5.597 -5.073 -10.015
117 3HZ LYS 16 3HZ LYS 16 -5.651 -6.301 -8.843
118 H LEU 17 H LEU 17 -4.972 0.956 -6.537
119 HA LEU 17 HA LEU 17 -2.337 0.848 -7.605
120 1HB LEU 17 2HB LEU 17 -3.793 3.277 -6.510
121 2HB LEU 17 1HB LEU 17 -2.530 3.314 -7.727
122 HG LEU 17 HG LEU 17 -5.347 2.147 -7.973
123 1HD1 LEU 17 2HD1 LEU 17 -5.157 4.626 -8.115
124 2HD1 LEU 17 1HD1 LEU 17 -3.982 4.455 -9.411
125 3HD1 LEU 17 3HD1 LEU 17 -5.643 3.929 -9.653
126 1HD2 LEU 17 3HD2 LEU 17 -3.026 2.017 -9.926
127 2HD2 LEU 17 2HD2 LEU 17 -3.979 0.682 -9.289
128 3HD2 LEU 17 1HD2 LEU 17 -4.701 1.809 -10.418
129 H VAL 18 H VAL 18 -3.568 1.613 -4.379
130 HA VAL 18 HA VAL 18 -1.135 2.607 -3.266
131 HB VAL 18 HB VAL 18 -3.719 1.487 -2.236
132 1HG1 VAL 18 1HG1 VAL 18 -1.307 1.452 -0.391
133 2HG1 VAL 18 3HG1 VAL 18 -2.976 1.229 0.100
134 3HG1 VAL 18 2HG1 VAL 18 -2.200 0.025 -0.902
135 1HG2 VAL 18 3HG2 VAL 18 -3.047 3.943 -2.417
136 2HG2 VAL 18 2HG2 VAL 18 -3.717 3.451 -0.879
137 3HG2 VAL 18 1HG2 VAL 18 -1.982 3.668 -1.057
138 H PHE 19 H PHE 19 -2.444 -0.693 -3.146
139 HA PHE 19 HA PHE 19 -0.275 -2.052 -2.030
140 1HB PHE 19 2HB PHE 19 -2.494 -2.806 -3.921
141 2HB PHE 19 1HB PHE 19 -1.164 -3.943 -3.796
142 HD1 PHE 19 HD2 PHE 19 -3.271 -1.835 -1.492
143 HD2 PHE 19 HD1 PHE 19 -1.366 -5.592 -2.146
144 HE1 PHE 19 HE2 PHE 19 -4.186 -2.666 0.620
145 HE2 PHE 19 HE1 PHE 19 -2.286 -6.419 -0.029
146 HZ PHE 19 HZ PHE 19 -3.698 -4.960 1.358
147 H PHE 20 H PHE 20 -0.865 -1.399 -5.425
148 HA PHE 20 HA PHE 20 1.433 -2.536 -6.555
149 1HB PHE 20 2HB PHE 20 -0.142 -1.873 -8.157
150 2HB PHE 20 1HB PHE 20 -0.593 -0.434 -7.276
151 HD1 PHE 20 HD1 PHE 20 2.079 -1.875 -9.416
152 HD2 PHE 20 HD2 PHE 20 0.330 1.678 -7.847
153 HE1 PHE 20 HE1 PHE 20 3.477 -0.529 -10.901
154 HE2 PHE 20 HE2 PHE 20 1.719 3.026 -9.321
155 HZ PHE 20 HZ PHE 20 3.310 1.933 -10.869
156 H ALA 21 H ALA 21 0.918 0.819 -5.508
157 HA ALA 21 HA ALA 21 3.460 1.886 -5.967
158 1HB ALA 21 2HB ALA 21 1.306 3.068 -5.125
159 2HB ALA 21 1HB ALA 21 1.791 2.585 -3.509
160 3HB ALA 21 3HB ALA 21 2.818 3.649 -4.453
161 H GLU 22 H GLU 22 2.369 0.223 -3.056
162 HA GLU 22 HA GLU 22 4.800 0.508 -1.578
163 1HB GLU 22 2HB GLU 22 2.592 -1.592 -1.528
164 2HB GLU 22 1HB GLU 22 4.029 -1.842 -0.560
165 1HG GLU 22 2HG GLU 22 2.682 -0.714 0.975
166 2HG GLU 22 1HG GLU 22 3.574 0.634 0.296
167 H ASP 23 H ASP 23 3.748 -2.143 -3.642
168 HA ASP 23 HA ASP 23 5.975 -3.823 -3.573
169 1HB ASP 23 2HB ASP 23 3.834 -4.226 -4.953
170 2HB ASP 23 1HB ASP 23 4.463 -3.112 -6.129
171 H VAL 24 H VAL 24 5.346 -1.237 -5.762
172 HA VAL 24 HA VAL 24 7.706 -1.103 -7.242
173 HB VAL 24 HB VAL 24 5.761 1.085 -6.380
174 1HG1 VAL 24 2HG1 VAL 24 7.685 1.040 -8.700
175 2HG1 VAL 24 1HG1 VAL 24 6.380 2.206 -8.482
176 3HG1 VAL 24 3HG1 VAL 24 7.697 2.144 -7.322
177 1HG2 VAL 24 2HG2 VAL 24 5.128 -1.212 -7.738
178 2HG2 VAL 24 1HG2 VAL 24 4.293 0.313 -7.921
179 3HG2 VAL 24 3HG2 VAL 24 5.541 -0.158 -9.070
180 H GLY 25 H GLY 25 6.834 0.759 -4.421
181 1HA GLY 25 2HA GLY 25 9.112 2.305 -3.990
182 2HA GLY 25 1HA GLY 25 8.125 1.670 -2.670
183 H SER 26 H SER 26 8.479 -0.911 -2.760
184 HA SER 26 HA SER 26 11.007 -1.368 -1.534
185 1HB SER 26 2HB SER 26 9.097 -3.479 -2.670
186 2HB SER 26 1HB SER 26 10.299 -3.721 -1.391
187 HG SER 26 HG SER 26 8.905 -2.927 -0.068
188 H ASN 27 H ASN 27 9.812 -2.728 -4.560
189 HA ASN 27 HA ASN 27 12.244 -3.831 -5.439
190 1HB ASN 27 2HB ASN 27 9.695 -2.935 -6.869
191 2HB ASN 27 1HB ASN 27 10.978 -3.752 -7.733
192 1HD2 ASN 27 2HD2 ASN 27 8.352 -5.952 -5.704
193 2HD2 ASN 27 1HD2 ASN 27 8.111 -4.331 -6.137
194 H LYS 28 H LYS 28 10.740 -1.049 -7.005
195 HA LYS 28 HA LYS 28 12.988 -0.205 -8.462
196 1HB LYS 28 2HB LYS 28 10.375 0.830 -7.870
197 2HB LYS 28 1HB LYS 28 11.496 2.109 -7.446
198 1HG LYS 28 2HG LYS 28 12.539 1.893 -9.711
199 2HG LYS 28 1HG LYS 28 11.407 0.606 -10.087
200 1HD LYS 28 2HD LYS 28 10.441 2.555 -11.069
201 2HD LYS 28 1HD LYS 28 9.506 2.275 -9.617
202 1HE LYS 28 2HE LYS 28 11.922 4.109 -9.480
203 2HE LYS 28 1HE LYS 28 10.415 4.708 -10.154
204 1HZ LYS 28 1HZ LYS 28 9.816 3.343 -7.799
205 2HZ LYS 28 3HZ LYS 28 11.106 4.396 -7.475
206 3HZ LYS 28 2HZ LYS 28 9.662 5.002 -8.131
207 H GLY 29 H GLY 29 12.140 0.369 -5.115
208 1HA GLY 29 2HA GLY 29 14.068 2.338 -4.439
209 2HA GLY 29 1HA GLY 29 13.432 1.143 -3.306
210 H ALA 30 H ALA 30 14.299 -1.191 -3.967
211 HA ALA 30 HA ALA 30 17.054 -1.241 -3.288
212 1HB ALA 30 3HB ALA 30 15.509 -3.185 -2.981
213 2HB ALA 30 2HB ALA 30 15.407 -3.385 -4.723
214 3HB ALA 30 1HB ALA 30 16.930 -3.671 -3.892
215 H ILE 31 H ILE 31 15.504 -1.596 -6.410
216 HA ILE 31 HA ILE 31 17.701 -2.124 -8.039
217 HB ILE 31 HB ILE 31 15.025 -0.713 -8.343
218 1HG1 ILE 31 2HG1 ILE 31 16.109 -3.342 -9.411
219 2HG1 ILE 31 1HG1 ILE 31 15.126 -3.169 -7.982
220 1HG2 ILE 31 2HG2 ILE 31 16.913 -1.189 -10.666
221 2HG2 ILE 31 1HG2 ILE 31 15.235 -0.670 -10.790
222 3HG2 ILE 31 3HG2 ILE 31 16.410 0.381 -10.040
223 1HD1 ILE 31 3HD1 ILE 31 13.332 -2.084 -9.509
224 2HD1 ILE 31 2HD1 ILE 31 14.271 -2.723 -10.851
225 3HD1 ILE 31 1HD1 ILE 31 13.581 -3.813 -9.663
226 H ILE 32 H ILE 32 16.351 1.077 -7.301
227 HA ILE 32 HA ILE 32 18.344 2.593 -8.589
228 HB ILE 32 HB ILE 32 16.721 3.230 -6.067
229 1HG1 ILE 32 2HG1 ILE 32 16.166 4.215 -8.888
230 2HG1 ILE 32 1HG1 ILE 32 15.591 2.651 -8.395
231 1HG2 ILE 32 3HG2 ILE 32 18.322 5.059 -7.918
232 2HG2 ILE 32 2HG2 ILE 32 17.129 5.659 -6.778
233 3HG2 ILE 32 1HG2 ILE 32 18.560 4.834 -6.192
234 1HD1 ILE 32 2HD1 ILE 32 14.497 3.814 -6.369
235 2HD1 ILE 32 1HD1 ILE 32 14.845 5.332 -7.183
236 3HD1 ILE 32 3HD1 ILE 32 13.784 4.154 -7.935
237 H GLY 33 H GLY 33 18.202 1.451 -5.254
238 1HA GLY 33 2HA GLY 33 20.599 2.551 -4.275
239 2HA GLY 33 1HA GLY 33 19.948 1.002 -3.731
240 H LEU 34 H LEU 34 20.155 -0.575 -5.891
241 HA LEU 34 HA LEU 34 22.885 -1.340 -5.924
242 1HB LEU 34 2HB LEU 34 20.655 -1.997 -7.915
243 2HB LEU 34 1HB LEU 34 22.165 -2.875 -7.823
244 HG LEU 34 HG LEU 34 20.442 -2.599 -5.325
245 1HD1 LEU 34 3HD1 LEU 34 20.031 -4.549 -7.623
246 2HD1 LEU 34 2HD1 LEU 34 19.447 -4.865 -5.995
247 3HD1 LEU 34 1HD1 LEU 34 18.841 -3.486 -6.887
248 1HD2 LEU 34 2HD2 LEU 34 22.357 -4.751 -6.301
249 2HD2 LEU 34 1HD2 LEU 34 22.721 -3.523 -5.097
250 3HD2 LEU 34 3HD2 LEU 34 21.520 -4.751 -4.757
251 H MET 35 H MET 35 21.002 0.335 -8.405
252 HA MET 35 HA MET 35 22.996 0.658 -10.360
253 1HB MET 35 2HB MET 35 20.703 2.509 -9.568
254 2HB MET 35 1HB MET 35 21.664 2.743 -11.013
255 1HG MET 35 2HG MET 35 20.889 0.777 -12.017
256 2HG MET 35 1HG MET 35 20.372 0.068 -10.511
257 1HE MET 35 1HE MET 35 18.604 -0.683 -12.417
258 2HE MET 35 3HE MET 35 17.286 0.352 -12.963
259 3HE MET 35 2HE MET 35 18.908 0.576 -13.615
260 H VAL 36 H VAL 36 22.156 2.798 -7.731
261 HA VAL 36 HA VAL 36 24.048 4.845 -8.079
262 HB VAL 36 HB VAL 36 22.662 3.719 -5.591
263 1HG1 VAL 36 1HG1 VAL 36 24.492 6.152 -5.813
264 2HG1 VAL 36 3HG1 VAL 36 23.330 5.949 -4.511
265 3HG1 VAL 36 2HG1 VAL 36 24.643 4.803 -4.697
266 1HG2 VAL 36 1HG2 VAL 36 21.358 4.918 -7.471
267 2HG2 VAL 36 3HG2 VAL 36 21.164 5.574 -5.855
268 3HG2 VAL 36 2HG2 VAL 36 22.222 6.372 -7.009
269 H GLY 37 H GLY 37 24.288 1.902 -6.091
270 1HA GLY 37 2HA GLY 37 26.894 2.243 -5.090
271 2HA GLY 37 1HA GLY 37 26.151 0.675 -5.399
272 H GLY 38 H GLY 38 25.926 0.439 -7.974
273 1HA GLY 38 2HA GLY 38 26.982 0.368 -10.101
274 2HA GLY 38 1HA GLY 38 28.356 1.254 -9.441
275 H VAL 39 H VAL 39 28.596 -0.442 -7.165
276 HA VAL 39 HA VAL 39 29.603 -2.987 -8.312
277 HB VAL 39 HB VAL 39 30.923 -1.513 -5.972
278 1HG1 VAL 39 1HG1 VAL 39 31.968 -3.559 -7.991
279 2HG1 VAL 39 3HG1 VAL 39 32.931 -2.835 -6.714
280 3HG1 VAL 39 2HG1 VAL 39 31.591 -3.885 -6.308
281 1HG2 VAL 39 3HG2 VAL 39 31.503 -1.107 -8.938
282 2HG2 VAL 39 2HG2 VAL 39 31.052 0.121 -7.764
283 3HG2 VAL 39 1HG2 VAL 39 32.625 -0.647 -7.666
284 H VAL 40 H VAL 40 27.122 -2.185 -7.103
285 HA VAL 40 HA VAL 40 26.986 -4.143 -4.868
286 HB VAL 40 HB VAL 40 25.506 -1.457 -4.891
287 1HG1 VAL 40 3HG1 VAL 40 25.837 -3.604 -2.747
288 2HG1 VAL 40 2HG1 VAL 40 25.048 -2.054 -2.499
289 3HG1 VAL 40 1HG1 VAL 40 24.355 -3.222 -3.607
290 1HG2 VAL 40 2HG2 VAL 40 28.036 -2.263 -3.386
291 2HG2 VAL 40 1HG2 VAL 40 27.880 -0.960 -4.557
292 3HG2 VAL 40 3HG2 VAL 40 27.079 -0.841 -3.003
No H/Q in entry = 292