Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
|
|
2110 | 1bf0 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 H TRP 1 H TRP 1 13.297 -13.033 3.501
2 HA TRP 1 HA TRP 1 11.816 -12.233 1.264
3 1HB TRP 1 HB1 TRP 1 9.884 -11.878 2.888
4 2HB TRP 1 HB2 TRP 1 10.988 -11.056 3.996
5 HD1 TRP 1 HD1 TRP 1 9.076 -10.384 0.562
6 HE1 TRP 1 HE1 TRP 1 8.890 -7.959 0.267
7 HE3 TRP 1 HE3 TRP 1 12.022 -8.973 4.508
8 HZ2 TRP 1 HZ2 TRP 1 10.018 -5.572 1.466
9 HZ3 TRP 1 HZ3 TRP 1 12.382 -6.570 4.903
10 HH2 TRP 1 HH2 TRP 1 11.340 -4.876 3.400
11 H GLN 2 H GLN 2 12.690 -10.344 0.340
12 HA GLN 2 HA GLN 2 14.462 -8.576 1.724
13 1HB GLN 2 HB1 GLN 2 15.149 -10.187 -0.837
14 2HB GLN 2 HB2 GLN 2 15.962 -8.657 -0.399
15 1HG GLN 2 HG1 GLN 2 16.094 -11.312 1.199
16 2HG GLN 2 HG2 GLN 2 17.376 -10.607 0.157
17 1HE2 GLN 2 HE21 GLN 2 16.864 -9.116 3.941
18 2HE2 GLN 2 HE22 GLN 2 15.558 -10.069 3.246
19 HA PRO 3 HA PRO 3 11.332 -6.515 -0.315
20 1HB PRO 3 HB1 PRO 3 12.308 -3.895 -0.947
21 2HB PRO 3 HB2 PRO 3 11.730 -4.574 0.624
22 1HG PRO 3 HG1 PRO 3 14.610 -4.453 -0.525
23 2HG PRO 3 HG2 PRO 3 14.106 -4.020 1.171
24 1HD PRO 3 HD1 PRO 3 15.264 -6.408 0.492
25 2HD PRO 3 HD2 PRO 3 13.977 -6.282 1.791
26 HA PRO 4 HA PRO 4 11.817 -7.074 -4.867
27 1HB PRO 4 HB1 PRO 4 9.307 -8.099 -5.313
28 2HB PRO 4 HB2 PRO 4 10.362 -8.930 -4.147
29 1HG PRO 4 HG1 PRO 4 8.339 -6.841 -3.434
30 2HG PRO 4 HG2 PRO 4 8.518 -8.565 -2.769
31 1HD PRO 4 HD1 PRO 4 9.481 -6.282 -1.573
32 2HD PRO 4 HD2 PRO 4 10.286 -7.931 -1.490
33 H TRP 5 H TRP 5 8.529 -6.265 -5.529
34 HA TRP 5 HA TRP 5 9.197 -3.661 -6.539
35 1HB TRP 5 HB1 TRP 5 6.771 -3.641 -7.438
36 2HB TRP 5 HB2 TRP 5 7.914 -4.583 -8.201
37 HD1 TRP 5 HD1 TRP 5 7.658 -7.308 -8.158
38 HE1 TRP 5 HE1 TRP 5 5.323 -8.608 -8.021
39 HE3 TRP 5 HE3 TRP 5 4.520 -3.804 -6.254
40 HZ2 TRP 5 HZ2 TRP 5 2.612 -7.864 -8.236
41 HZ3 TRP 5 HZ3 TRP 5 2.309 -3.807 -6.705
42 HH2 TRP 5 HH2 TRP 5 1.191 -5.963 -7.639
43 H TYR 6 H TYR 6 6.359 -4.854 -4.787
44 HA TYR 6 HA TYR 6 4.790 -2.858 -4.256
45 1HB TYR 6 HB1 TYR 6 5.191 -4.636 -1.823
46 2HB TYR 6 HB2 TYR 6 3.719 -4.258 -2.776
47 HD1 TYR 6 HD1 TYR 6 3.270 -5.719 -4.825
48 HD2 TYR 6 HD2 TYR 6 6.544 -6.324 -2.205
49 HE1 TYR 6 HE1 TYR 6 3.396 -8.060 -5.617
50 HE2 TYR 6 HE2 TYR 6 6.598 -8.853 -2.991
51 HH TYR 6 HH TYR 6 4.374 -10.043 -5.367
52 H CYS 7 H CYS 7 7.408 -3.404 -1.890
53 HA CYS 7 HA CYS 7 6.677 -1.533 -0.157
54 1HB CYS 7 HB1 CYS 7 9.621 -2.266 -0.554
55 2HB CYS 7 HB2 CYS 7 8.790 -1.928 0.963
56 H LYS 8 H LYS 8 8.792 -1.120 -2.999
57 HA LYS 8 HA LYS 8 9.304 1.713 -2.465
58 1HB LYS 8 HB1 LYS 8 10.340 -0.293 -4.556
59 2HB LYS 8 HB2 LYS 8 10.860 1.429 -4.472
60 1HG LYS 8 HG1 LYS 8 11.867 1.104 -2.270
61 2HG LYS 8 HG2 LYS 8 11.195 -0.551 -2.151
62 1HD LYS 8 HD1 LYS 8 13.455 -0.856 -2.725
63 2HD LYS 8 HD2 LYS 8 12.493 -1.238 -4.190
64 1HE LYS 8 HE1 LYS 8 14.555 0.057 -4.787
65 2HE LYS 8 HE2 LYS 8 13.104 1.074 -5.136
66 1HZ LYS 8 HZ1 LYS 8 14.827 1.238 -2.718
67 2HZ LYS 8 HZ2 LYS 8 14.827 2.302 -4.043
68 3HZ LYS 8 HZ3 LYS 8 13.462 2.195 -3.038
69 H GLU 9 H GLU 9 6.509 0.293 -3.609
70 HA GLU 9 HA GLU 9 6.441 1.295 -6.321
71 1HB GLU 9 HB1 GLU 9 5.668 -0.945 -5.545
72 2HB GLU 9 HB2 GLU 9 4.353 -0.145 -4.666
73 1HG GLU 9 HG1 GLU 9 3.875 0.814 -7.283
74 2HG GLU 9 HG2 GLU 9 4.767 -0.739 -7.651
75 HA PRO 10 HA PRO 10 4.904 5.151 -4.659
76 1HB PRO 10 HB1 PRO 10 3.860 5.498 -7.550
77 2HB PRO 10 HB2 PRO 10 4.684 6.752 -6.539
78 1HG PRO 10 HG1 PRO 10 6.185 5.452 -8.301
79 2HG PRO 10 HG2 PRO 10 6.775 5.422 -6.589
80 1HD PRO 10 HD1 PRO 10 5.130 3.224 -7.961
81 2HD PRO 10 HD2 PRO 10 6.725 3.124 -7.081
82 H VAL 11 H VAL 11 3.040 6.213 -3.625
83 HA VAL 11 HA VAL 11 0.525 4.823 -3.833
84 HB VAL 11 HB VAL 11 1.457 5.548 -1.699
85 1HG1 VAL 11 HG11 VAL 11 2.350 7.819 -2.360
86 2HG1 VAL 11 HG12 VAL 11 0.665 8.428 -2.511
87 3HG1 VAL 11 HG13 VAL 11 1.265 7.844 -0.928
88 1HG2 VAL 11 HG21 VAL 11 -0.881 4.911 -1.948
89 2HG2 VAL 11 HG22 VAL 11 -0.757 6.288 -0.800
90 3HG2 VAL 11 HG23 VAL 11 -1.367 6.570 -2.460
91 H ARG 12 H ARG 12 -1.270 5.413 -4.926
92 HA ARG 12 HA ARG 12 -1.292 7.834 -6.602
93 1HB ARG 12 HB1 ARG 12 -2.180 4.931 -7.196
94 2HB ARG 12 HB2 ARG 12 -2.344 6.257 -8.385
95 1HG ARG 12 HG1 ARG 12 0.212 5.129 -7.229
96 2HG ARG 12 HG2 ARG 12 -0.600 4.553 -8.708
97 1HD ARG 12 HD1 ARG 12 -0.392 6.770 -9.818
98 2HD ARG 12 HD2 ARG 12 0.638 7.360 -8.457
99 HE ARG 12 HE ARG 12 2.492 5.967 -9.433
100 1HH1 ARG 12 HH11 ARG 12 -0.557 4.971 -10.928
101 2HH1 ARG 12 HH12 ARG 12 0.288 3.946 -12.028
102 1HH2 ARG 12 HH21 ARG 12 3.372 4.443 -10.626
103 2HH2 ARG 12 HH22 ARG 12 2.518 3.826 -11.988
104 H ILE 13 H ILE 13 -3.503 8.926 -6.231
105 HA ILE 13 HA ILE 13 -5.398 7.258 -4.675
106 HB ILE 13 HB ILE 13 -4.818 9.085 -3.492
107 1HG1 ILE 13 HG11 ILE 13 -7.685 9.271 -4.556
108 2HG1 ILE 13 HG12 ILE 13 -7.030 7.957 -3.531
109 1HG2 ILE 13 HG21 ILE 13 -4.322 10.924 -5.056
110 2HG2 ILE 13 HG22 ILE 13 -6.085 10.939 -5.571
111 3HG2 ILE 13 HG23 ILE 13 -5.582 11.295 -3.882
112 1HD1 ILE 13 HD11 ILE 13 -6.661 9.612 -1.667
113 2HD1 ILE 13 HD12 ILE 13 -7.462 10.898 -2.683
114 3HD1 ILE 13 HD13 ILE 13 -8.403 9.439 -2.151
115 H GLY 14 H GLY 14 -5.182 9.254 -7.545
116 1HA GLY 14 HA1 GLY 14 -6.391 8.930 -9.598
117 2HA GLY 14 HA2 GLY 14 -7.595 7.933 -8.713
118 H SER 15 H SER 15 -9.144 9.577 -10.047
119 HA SER 15 HA SER 15 -9.888 11.649 -8.122
120 1HB SER 15 HB1 SER 15 -8.854 12.463 -10.898
121 2HB SER 15 HB2 SER 15 -9.838 13.554 -9.847
122 HG SER 15 HG SER 15 -7.751 12.320 -8.546
123 H CYS 16 H CYS 16 -11.875 10.977 -7.790
124 HA CYS 16 HA CYS 16 -13.875 11.821 -9.443
125 1HB CYS 16 HB1 CYS 16 -15.084 9.601 -9.906
126 2HB CYS 16 HB2 CYS 16 -13.565 9.914 -10.805
127 H LYS 17 H LYS 17 -15.835 11.880 -8.165
128 HA LYS 17 HA LYS 17 -15.025 12.480 -5.517
129 1HB LYS 17 HB1 LYS 17 -17.667 12.981 -6.932
130 2HB LYS 17 HB2 LYS 17 -17.235 13.650 -5.320
131 1HG LYS 17 HG1 LYS 17 -15.704 14.363 -7.870
132 2HG LYS 17 HG2 LYS 17 -16.949 15.279 -6.973
133 1HD LYS 17 HD1 LYS 17 -15.438 15.022 -4.873
134 2HD LYS 17 HD2 LYS 17 -14.123 14.553 -6.005
135 1HE LYS 17 HE1 LYS 17 -15.790 17.143 -6.118
136 2HE LYS 17 HE2 LYS 17 -14.131 17.010 -5.387
137 1HZ LYS 17 HZ1 LYS 17 -14.839 16.462 -8.227
138 2HZ LYS 17 HZ2 LYS 17 -14.056 17.847 -7.632
139 3HZ LYS 17 HZ3 LYS 17 -13.293 16.333 -7.536
140 H LYS 18 H LYS 18 -14.914 9.743 -5.381
141 HA LYS 18 HA LYS 18 -16.416 9.414 -2.952
142 1HB LYS 18 HB1 LYS 18 -17.985 8.402 -4.581
143 2HB LYS 18 HB2 LYS 18 -16.672 7.431 -5.323
144 1HG LYS 18 HG1 LYS 18 -16.453 6.092 -3.289
145 2HG LYS 18 HG2 LYS 18 -17.488 7.221 -2.360
146 1HD LYS 18 HD1 LYS 18 -19.356 6.687 -4.151
147 2HD LYS 18 HD2 LYS 18 -18.378 5.231 -4.502
148 1HE LYS 18 HE1 LYS 18 -20.158 4.676 -2.883
149 2HE LYS 18 HE2 LYS 18 -18.594 4.630 -1.971
150 1HZ LYS 18 HZ1 LYS 18 -20.525 6.893 -2.062
151 2HZ LYS 18 HZ2 LYS 18 -20.304 5.796 -0.784
152 3HZ LYS 18 HZ3 LYS 18 -19.057 6.869 -1.209
153 H GLN 19 H GLN 19 -14.918 8.156 -1.491
154 HA GLN 19 HA GLN 19 -12.468 7.190 -2.772
155 1HB GLN 19 HB1 GLN 19 -12.236 8.299 0.056
156 2HB GLN 19 HB2 GLN 19 -11.039 8.214 -1.277
157 1HG GLN 19 HG1 GLN 19 -13.300 10.319 -1.300
158 2HG GLN 19 HG2 GLN 19 -11.804 10.466 -0.324
159 1HE2 GLN 19 HE21 GLN 19 -11.196 10.270 -4.387
160 2HE2 GLN 19 HE22 GLN 19 -12.633 9.552 -3.731
161 H PHE 20 H PHE 20 -11.923 5.108 -2.152
162 HA PHE 20 HA PHE 20 -13.501 3.711 -0.082
163 1HB PHE 20 HB1 PHE 20 -11.816 2.395 -2.294
164 2HB PHE 20 HB2 PHE 20 -13.103 1.710 -1.293
165 HD1 PHE 20 HD1 PHE 20 -15.524 2.518 -1.556
166 HD2 PHE 20 HD2 PHE 20 -12.477 3.564 -4.480
167 HE1 PHE 20 HE1 PHE 20 -17.246 3.035 -3.239
168 HE2 PHE 20 HE2 PHE 20 -14.188 4.018 -6.092
169 HZ PHE 20 HZ PHE 20 -16.596 3.738 -5.522
170 H SER 21 H SER 21 -12.222 2.451 1.604
171 HA SER 21 HA SER 21 -9.757 3.687 2.239
172 1HB SER 21 HB1 SER 21 -11.519 2.880 3.877
173 2HB SER 21 HB2 SER 21 -10.782 1.247 3.755
174 HG SER 21 HG SER 21 -9.982 2.787 5.449
175 H SER 22 H SER 22 -7.648 3.179 2.340
176 HA SER 22 HA SER 22 -6.708 0.577 1.327
177 1HB SER 22 HB1 SER 22 -5.136 1.833 -0.286
178 2HB SER 22 HB2 SER 22 -6.815 2.022 -0.672
179 HG SER 22 HG SER 22 -5.391 3.875 0.942
180 H PHE 23 H PHE 23 -4.518 0.250 1.535
181 HA PHE 23 HA PHE 23 -2.971 1.915 3.444
182 1HB PHE 23 HB1 PHE 23 -3.048 -1.240 3.679
183 2HB PHE 23 HB2 PHE 23 -2.070 -0.104 4.547
184 HD1 PHE 23 HD1 PHE 23 -3.069 1.379 6.297
185 HD2 PHE 23 HD2 PHE 23 -5.466 -1.389 4.051
186 HE1 PHE 23 HE1 PHE 23 -4.942 1.659 7.915
187 HE2 PHE 23 HE2 PHE 23 -7.334 -1.085 5.641
188 HZ PHE 23 HZ PHE 23 -7.089 0.483 7.549
189 H TYR 24 H TYR 24 -0.829 2.288 2.734
190 HA TYR 24 HA TYR 24 0.157 0.659 0.442
191 1HB TYR 24 HB1 TYR 24 1.281 2.530 -0.546
192 2HB TYR 24 HB2 TYR 24 -0.371 3.070 -0.233
193 HD1 TYR 24 HD1 TYR 24 3.154 3.331 0.814
194 HD2 TYR 24 HD2 TYR 24 -0.771 5.117 1.249
195 HE1 TYR 24 HE1 TYR 24 4.114 5.249 2.128
196 HE2 TYR 24 HE2 TYR 24 0.206 6.984 2.441
197 HH TYR 24 HH TYR 24 2.172 7.956 3.235
198 H PHE 25 H PHE 25 2.472 -0.166 0.685
199 HA PHE 25 HA PHE 25 3.277 -0.164 3.523
200 1HB PHE 25 HB1 PHE 25 3.141 -2.301 2.129
201 2HB PHE 25 HB2 PHE 25 4.642 -1.793 1.328
202 HD1 PHE 25 HD1 PHE 25 6.751 -1.243 2.969
203 HD2 PHE 25 HD2 PHE 25 3.290 -3.655 4.044
204 HE1 PHE 25 HE1 PHE 25 7.935 -2.411 4.881
205 HE2 PHE 25 HE2 PHE 25 4.360 -4.526 5.934
206 HZ PHE 25 HZ PHE 25 6.758 -3.812 6.419
207 H LYS 26 H LYS 26 4.700 1.433 4.305
208 HA LYS 26 HA LYS 26 5.912 3.184 2.431
209 1HB LYS 26 HB1 LYS 26 4.548 3.954 4.124
210 2HB LYS 26 HB2 LYS 26 5.448 3.078 5.379
211 1HG LYS 26 HG1 LYS 26 5.803 5.187 5.519
212 2HG LYS 26 HG2 LYS 26 7.455 4.591 4.982
213 1HD LYS 26 HD1 LYS 26 5.517 6.396 3.493
214 2HD LYS 26 HD2 LYS 26 7.115 6.776 4.252
215 1HE LYS 26 HE1 LYS 26 6.744 4.869 1.934
216 2HE LYS 26 HE2 LYS 26 7.226 6.616 1.775
217 1HZ LYS 26 HZ1 LYS 26 8.713 4.486 3.184
218 2HZ LYS 26 HZ2 LYS 26 9.093 5.157 1.672
219 3HZ LYS 26 HZ3 LYS 26 9.168 6.119 3.070
220 H TRP 27 H TRP 27 7.885 2.733 1.773
221 HA TRP 27 HA TRP 27 9.498 0.621 2.613
222 1HB TRP 27 HB1 TRP 27 9.812 0.787 0.499
223 2HB TRP 27 HB2 TRP 27 9.142 2.369 0.376
224 HD1 TRP 27 HD1 TRP 27 11.205 4.406 0.149
225 HE1 TRP 27 HE1 TRP 27 13.671 4.066 -0.625
226 HE3 TRP 27 HE3 TRP 27 11.517 -0.550 0.861
227 HZ2 TRP 27 HZ2 TRP 27 15.617 1.951 -0.541
228 HZ3 TRP 27 HZ3 TRP 27 13.613 -1.739 0.530
229 HH2 TRP 27 HH2 TRP 27 15.700 -0.518 -0.152
230 H THR 28 H THR 28 10.044 4.129 3.403
231 HA THR 28 HA THR 28 12.513 3.318 4.747
232 HB THR 28 HB THR 28 12.788 5.775 5.306
233 HG1 THR 28 HG1 THR 28 11.644 7.009 3.606
234 1HG2 THR 28 HG21 THR 28 14.012 4.560 3.498
235 2HG2 THR 28 HG22 THR 28 12.653 4.858 2.357
236 3HG2 THR 28 HG23 THR 28 13.617 6.237 3.001
237 H ALA 29 H ALA 29 9.275 3.218 5.506
238 HA ALA 29 HA ALA 29 9.615 3.808 8.383
239 1HB ALA 29 HB1 ALA 29 7.632 4.728 7.206
240 2HB ALA 29 HB2 ALA 29 7.089 3.079 6.773
241 3HB ALA 29 HB3 ALA 29 7.136 3.599 8.513
242 H LYS 30 H LYS 30 8.659 1.018 6.275
243 HA LYS 30 HA LYS 30 8.993 -1.144 6.540
244 1HB LYS 30 HB1 LYS 30 10.873 -0.576 8.294
245 2HB LYS 30 HB2 LYS 30 9.727 -1.302 9.447
246 1HG LYS 30 HG1 LYS 30 11.116 -3.042 8.704
247 2HG LYS 30 HG2 LYS 30 9.658 -3.331 7.704
248 1HD LYS 30 HD1 LYS 30 10.827 -2.143 5.769
249 2HD LYS 30 HD2 LYS 30 12.204 -1.780 6.864
250 1HE LYS 30 HE1 LYS 30 12.654 -4.244 7.117
251 2HE LYS 30 HE2 LYS 30 11.320 -4.586 5.938
252 1HZ LYS 30 HZ1 LYS 30 13.754 -2.935 5.430
253 2HZ LYS 30 HZ2 LYS 30 13.480 -4.522 4.889
254 3HZ LYS 30 HZ3 LYS 30 12.512 -3.250 4.315
255 H LYS 31 H LYS 31 6.552 0.493 7.222
256 HA LYS 31 HA LYS 31 4.833 -1.703 7.938
257 1HB LYS 31 HB1 LYS 31 3.517 -0.298 9.612
258 2HB LYS 31 HB2 LYS 31 5.133 -0.851 10.148
259 1HG LYS 31 HG1 LYS 31 6.137 1.313 9.747
260 2HG LYS 31 HG2 LYS 31 4.627 1.922 8.989
261 1HD LYS 31 HD1 LYS 31 4.776 2.845 11.228
262 2HD LYS 31 HD2 LYS 31 3.402 1.693 11.148
263 1HE LYS 31 HE1 LYS 31 4.553 1.470 13.300
264 2HE LYS 31 HE2 LYS 31 4.844 -0.045 12.357
265 1HZ LYS 31 HZ1 LYS 31 6.712 2.256 12.634
266 2HZ LYS 31 HZ2 LYS 31 6.824 0.755 13.421
267 3HZ LYS 31 HZ3 LYS 31 6.998 0.845 11.734
268 H CYS 32 H CYS 32 2.393 -0.940 7.482
269 HA CYS 32 HA CYS 32 2.412 0.609 5.057
270 1HB CYS 32 HB1 CYS 32 -0.025 -0.959 6.233
271 2HB CYS 32 HB2 CYS 32 0.089 -0.040 4.759
272 H LEU 33 H LEU 33 1.269 2.434 4.726
273 HA LEU 33 HA LEU 33 0.190 3.843 7.125
274 1HB LEU 33 HB1 LEU 33 1.292 5.068 4.553
275 2HB LEU 33 HB2 LEU 33 0.640 5.958 5.973
276 HG LEU 33 HG LEU 33 3.319 5.019 5.291
277 1HD1 LEU 33 HD11 LEU 33 2.496 7.388 5.591
278 2HD1 LEU 33 HD12 LEU 33 2.118 6.995 7.312
279 3HD1 LEU 33 HD13 LEU 33 3.836 7.015 6.741
280 1HD2 LEU 33 HD21 LEU 33 2.557 4.714 8.255
281 2HD2 LEU 33 HD22 LEU 33 3.224 3.428 7.117
282 3HD2 LEU 33 HD23 LEU 33 4.197 4.858 7.562
283 HA PRO 34 HA PRO 34 -3.632 3.681 4.694
284 1HB PRO 34 HB1 PRO 34 -5.294 5.110 6.383
285 2HB PRO 34 HB2 PRO 34 -4.448 3.643 6.976
286 1HG PRO 34 HG1 PRO 34 -3.617 6.555 7.430
287 2HG PRO 34 HG2 PRO 34 -3.741 5.227 8.651
288 1HD PRO 34 HD1 PRO 34 -1.395 6.016 7.215
289 2HD PRO 34 HD2 PRO 34 -1.614 4.404 8.038
290 H PHE 35 H PHE 35 -4.788 4.589 3.339
291 HA PHE 35 HA PHE 35 -4.961 7.451 3.012
292 1HB PHE 35 HB1 PHE 35 -4.173 7.717 0.758
293 2HB PHE 35 HB2 PHE 35 -2.870 6.945 1.671
294 HD1 PHE 35 HD1 PHE 35 -2.868 4.190 1.445
295 HD2 PHE 35 HD2 PHE 35 -4.614 6.943 -1.437
296 HE1 PHE 35 HE1 PHE 35 -2.504 2.567 -0.349
297 HE2 PHE 35 HE2 PHE 35 -4.445 5.186 -3.120
298 HZ PHE 35 HZ PHE 35 -3.383 2.999 -2.609
299 H LEU 36 H LEU 36 -6.369 7.208 0.464
300 HA LEU 36 HA LEU 36 -8.387 5.203 0.780
301 1HB LEU 36 HB1 LEU 36 -8.949 8.261 0.399
302 2HB LEU 36 HB2 LEU 36 -10.169 6.940 0.343
303 HG LEU 36 HG LEU 36 -8.642 7.865 2.833
304 1HD1 LEU 36 HD11 LEU 36 -10.161 9.618 1.860
305 2HD1 LEU 36 HD12 LEU 36 -11.544 8.461 1.982
306 3HD1 LEU 36 HD13 LEU 36 -10.706 9.023 3.465
307 1HD2 LEU 36 HD21 LEU 36 -11.019 5.945 2.434
308 2HD2 LEU 36 HD22 LEU 36 -9.385 5.539 3.115
309 3HD2 LEU 36 HD23 LEU 36 -10.504 6.605 4.030
310 H PHE 37 H PHE 37 -9.090 4.788 -1.355
311 HA PHE 37 HA PHE 37 -7.577 6.017 -3.636
312 1HB PHE 37 HB1 PHE 37 -6.857 3.775 -3.470
313 2HB PHE 37 HB2 PHE 37 -8.492 3.251 -2.861
314 HD1 PHE 37 HD1 PHE 37 -6.579 3.985 -6.195
315 HD2 PHE 37 HD2 PHE 37 -10.208 2.587 -4.235
316 HE1 PHE 37 HE1 PHE 37 -7.181 2.712 -8.139
317 HE2 PHE 37 HE2 PHE 37 -10.847 1.462 -6.350
318 HZ PHE 37 HZ PHE 37 -9.247 1.402 -8.248
319 H SER 38 H SER 38 -8.786 7.004 -5.294
320 HA SER 38 HA SER 38 -11.618 7.572 -4.803
321 1HB SER 38 HB1 SER 38 -9.916 8.289 -7.277
322 2HB SER 38 HB2 SER 38 -11.564 8.909 -6.870
323 HG SER 38 HG SER 38 -9.229 9.906 -6.156
324 H GLY 39 H GLY 39 -9.727 5.680 -7.121
325 1HA GLY 39 HA1 GLY 39 -10.639 3.668 -7.976
326 2HA GLY 39 HA2 GLY 39 -12.153 4.458 -8.354
327 H CYS 40 H CYS 40 -11.164 6.913 -9.570
328 HA CYS 40 HA CYS 40 -10.288 5.886 -12.053
329 1HB CYS 40 HB1 CYS 40 -10.804 8.776 -11.217
330 2HB CYS 40 HB2 CYS 40 -10.911 8.063 -12.848
331 H GLY 41 H GLY 41 -8.120 5.115 -11.053
332 1HA GLY 41 HA1 GLY 41 -6.012 5.548 -12.361
333 2HA GLY 41 HA2 GLY 41 -5.990 7.155 -11.610
334 H GLY 42 H GLY 42 -6.096 3.689 -10.300
335 1HA GLY 42 HA1 GLY 42 -3.936 4.504 -8.453
336 2HA GLY 42 HA2 GLY 42 -5.058 3.115 -8.301
337 H ASN 43 H ASN 43 -3.108 1.853 -7.800
338 HA ASN 43 HA ASN 43 -1.920 0.819 -10.269
339 1HB ASN 43 HB1 ASN 43 0.367 1.021 -9.703
340 2HB ASN 43 HB2 ASN 43 -0.396 2.604 -9.614
341 1HD2 ASN 43 HD21 ASN 43 1.811 2.870 -6.919
342 2HD2 ASN 43 HD22 ASN 43 1.778 2.865 -8.663
343 H ALA 44 H ALA 44 -0.476 -0.202 -7.298
344 HA ALA 44 HA ALA 44 -2.278 -2.323 -6.720
345 1HB ALA 44 HB1 ALA 44 0.084 -3.050 -8.554
346 2HB ALA 44 HB2 ALA 44 -0.912 -4.260 -7.602
347 3HB ALA 44 HB3 ALA 44 -1.658 -3.261 -8.866
348 H ASN 45 H ASN 45 -0.598 -0.220 -5.322
349 HA ASN 45 HA ASN 45 1.037 -2.010 -3.575
350 1HB ASN 45 HB1 ASN 45 2.081 0.216 -4.407
351 2HB ASN 45 HB2 ASN 45 0.862 1.119 -3.518
352 1HD2 ASN 45 HD21 ASN 45 3.758 1.118 -1.302
353 2HD2 ASN 45 HD22 ASN 45 3.288 1.830 -2.796
354 H ARG 46 H ARG 46 -2.067 -2.018 -3.670
355 HA ARG 46 HA ARG 46 -2.834 -0.603 -1.192
356 1HB ARG 46 HB1 ARG 46 -5.101 -0.233 -2.144
357 2HB ARG 46 HB2 ARG 46 -3.744 0.656 -2.883
358 1HG ARG 46 HG1 ARG 46 -3.648 -1.018 -4.725
359 2HG ARG 46 HG2 ARG 46 -5.030 -1.892 -3.999
360 1HD ARG 46 HD1 ARG 46 -5.644 -0.446 -6.028
361 2HD ARG 46 HD2 ARG 46 -6.557 -0.102 -4.509
362 HE ARG 46 HE ARG 46 -5.846 2.073 -4.765
363 1HH1 ARG 46 HH11 ARG 46 -3.056 0.211 -5.789
364 2HH1 ARG 46 HH12 ARG 46 -2.057 1.624 -5.959
365 1HH2 ARG 46 HH21 ARG 46 -4.568 3.815 -5.029
366 2HH2 ARG 46 HH22 ARG 46 -3.025 3.652 -5.706
367 H PHE 47 H PHE 47 -2.989 -1.804 0.266
368 HA PHE 47 HA PHE 47 -3.882 -4.583 0.247
369 1HB PHE 47 HB1 PHE 47 -2.754 -2.680 2.489
370 2HB PHE 47 HB2 PHE 47 -2.970 -4.472 2.633
371 HD1 PHE 47 HD1 PHE 47 -1.602 -5.956 0.982
372 HD2 PHE 47 HD2 PHE 47 -0.748 -1.786 1.549
373 HE1 PHE 47 HE1 PHE 47 0.767 -6.313 0.420
374 HE2 PHE 47 HE2 PHE 47 1.479 -2.093 0.681
375 HZ PHE 47 HZ PHE 47 2.320 -4.395 0.218
376 H GLN 48 H GLN 48 -6.095 -5.077 0.843
377 HA GLN 48 HA GLN 48 -7.875 -2.902 1.240
378 1HB GLN 48 HB1 GLN 48 -9.568 -4.258 0.641
379 2HB GLN 48 HB2 GLN 48 -8.192 -5.016 -0.194
380 1HG GLN 48 HG1 GLN 48 -9.766 -5.992 2.290
381 2HG GLN 48 HG2 GLN 48 -9.699 -6.746 0.666
382 1HE2 GLN 48 HE21 GLN 48 -6.466 -8.293 1.447
383 2HE2 GLN 48 HE22 GLN 48 -7.225 -7.577 0.054
384 H THR 49 H THR 49 -6.225 -4.791 3.553
385 HA THR 49 HA THR 49 -7.568 -3.557 5.798
386 HB THR 49 HB THR 49 -7.383 -5.706 7.154
387 HG1 THR 49 HG1 THR 49 -7.323 -7.040 4.640
388 1HG2 THR 49 HG21 THR 49 -9.591 -4.987 6.274
389 2HG2 THR 49 HG22 THR 49 -9.333 -5.945 4.775
390 3HG2 THR 49 HG23 THR 49 -9.439 -6.777 6.366
391 H ILE 50 H ILE 50 -5.794 -3.940 7.755
392 HA ILE 50 HA ILE 50 -3.167 -3.559 6.555
393 HB ILE 50 HB ILE 50 -4.243 -2.106 8.302
394 1HG1 ILE 50 HG11 ILE 50 -1.339 -3.053 8.684
395 2HG1 ILE 50 HG12 ILE 50 -1.944 -1.808 7.535
396 1HG2 ILE 50 HG21 ILE 50 -4.962 -4.036 9.832
397 2HG2 ILE 50 HG22 ILE 50 -3.233 -4.264 10.277
398 3HG2 ILE 50 HG23 ILE 50 -4.064 -2.719 10.656
399 1HD1 ILE 50 HD11 ILE 50 -2.778 -0.441 9.514
400 2HD1 ILE 50 HD12 ILE 50 -2.045 -1.653 10.618
401 3HD1 ILE 50 HD13 ILE 50 -0.995 -0.674 9.552
402 H GLY 51 H GLY 51 -4.735 -6.338 7.029
403 1HA GLY 51 HA1 GLY 51 -2.472 -7.820 8.225
404 2HA GLY 51 HA2 GLY 51 -4.095 -8.418 7.881
405 H GLU 52 H GLU 52 -3.689 -6.974 5.139
406 HA GLU 52 HA GLU 52 -2.465 -9.179 3.673
407 1HB GLU 52 HB1 GLU 52 -4.679 -8.036 3.142
408 2HB GLU 52 HB2 GLU 52 -3.785 -6.556 2.739
409 1HG GLU 52 HG1 GLU 52 -4.323 -7.505 0.620
410 2HG GLU 52 HG2 GLU 52 -2.645 -7.975 0.783
411 H CYS 53 H CYS 53 -1.789 -5.972 4.718
412 HA CYS 53 HA CYS 53 0.037 -4.673 3.299
413 1HB CYS 53 HB1 CYS 53 -0.997 -3.728 5.213
414 2HB CYS 53 HB2 CYS 53 -0.466 -5.059 6.281
415 H ARG 54 H ARG 54 0.887 -6.791 5.773
416 HA ARG 54 HA ARG 54 3.738 -6.875 5.540
417 1HB ARG 54 HB1 ARG 54 3.645 -8.064 7.492
418 2HB ARG 54 HB2 ARG 54 2.345 -6.886 7.549
419 1HG ARG 54 HG1 ARG 54 1.092 -9.187 6.477
420 2HG ARG 54 HG2 ARG 54 2.179 -9.871 7.726
421 1HD ARG 54 HD1 ARG 54 1.213 -8.612 9.516
422 2HD ARG 54 HD2 ARG 54 0.384 -7.466 8.370
423 HE ARG 54 HE ARG 54 -1.116 -9.577 7.686
424 1HH1 ARG 54 HH11 ARG 54 0.019 -9.424 11.063
425 2HH1 ARG 54 HH12 ARG 54 -1.033 -10.731 11.491
426 1HH2 ARG 54 HH21 ARG 54 -2.271 -11.117 8.291
427 2HH2 ARG 54 HH22 ARG 54 -2.390 -11.621 9.957
428 H LYS 55 H LYS 55 1.411 -8.716 3.678
429 HA LYS 55 HA LYS 55 3.112 -11.114 3.482
430 1HB LYS 55 HB1 LYS 55 0.435 -10.337 2.177
431 2HB LYS 55 HB2 LYS 55 1.259 -11.915 1.908
432 1HG LYS 55 HG1 LYS 55 1.097 -12.546 4.231
433 2HG LYS 55 HG2 LYS 55 0.338 -11.005 4.706
434 1HD LYS 55 HD1 LYS 55 -1.543 -11.448 3.076
435 2HD LYS 55 HD2 LYS 55 -0.843 -13.082 2.816
436 1HE LYS 55 HE1 LYS 55 -1.102 -13.617 5.237
437 2HE LYS 55 HE2 LYS 55 -1.760 -11.959 5.553
438 1HZ LYS 55 HZ1 LYS 55 -2.965 -14.003 3.752
439 2HZ LYS 55 HZ2 LYS 55 -3.504 -13.576 5.306
440 3HZ LYS 55 HZ3 LYS 55 -3.571 -12.443 4.042
441 H LYS 56 H LYS 56 3.021 -8.132 1.812
442 HA LYS 56 HA LYS 56 4.382 -9.243 -0.581
443 1HB LYS 56 HB1 LYS 56 2.803 -6.697 -0.005
444 2HB LYS 56 HB2 LYS 56 3.956 -6.700 -1.335
445 1HG LYS 56 HG1 LYS 56 2.905 -8.702 -2.340
446 2HG LYS 56 HG2 LYS 56 1.550 -8.589 -1.187
447 1HD LYS 56 HD1 LYS 56 2.166 -6.049 -2.970
448 2HD LYS 56 HD2 LYS 56 1.615 -7.543 -3.723
449 1HE LYS 56 HE1 LYS 56 -0.488 -7.703 -2.839
450 2HE LYS 56 HE2 LYS 56 -0.162 -6.683 -1.421
451 1HZ LYS 56 HZ1 LYS 56 -0.253 -5.741 -4.226
452 2HZ LYS 56 HZ2 LYS 56 -1.443 -5.534 -3.032
453 3HZ LYS 56 HZ3 LYS 56 0.070 -4.780 -2.864
454 H CYS 57 H CYS 57 4.834 -7.098 2.261
455 HA CYS 57 HA CYS 57 7.599 -6.410 1.297
456 1HB CYS 57 HB1 CYS 57 5.292 -4.869 2.555
457 2HB CYS 57 HB2 CYS 57 6.947 -4.263 2.816
458 H LEU 58 H LEU 58 6.510 -8.516 3.649
459 HA LEU 58 HA LEU 58 8.859 -7.730 5.306
460 1HB LEU 58 HB1 LEU 58 6.063 -8.067 6.359
461 2HB LEU 58 HB2 LEU 58 7.440 -8.547 7.412
462 HG LEU 58 HG LEU 58 7.291 -5.781 6.177
463 1HD1 LEU 58 HD11 LEU 58 5.306 -6.258 7.768
464 2HD1 LEU 58 HD12 LEU 58 6.496 -6.737 9.029
465 3HD1 LEU 58 HD13 LEU 58 6.465 -5.041 8.433
466 1HD2 LEU 58 HD21 LEU 58 8.992 -7.040 8.421
467 2HD2 LEU 58 HD22 LEU 58 9.567 -6.317 6.868
468 3HD2 LEU 58 HD23 LEU 58 8.841 -5.273 8.137
469 H GLY 59 H GLY 59 6.902 -10.319 3.955
470 1HA GLY 59 HA1 GLY 59 7.308 -12.426 3.613
471 2HA GLY 59 HA2 GLY 59 8.783 -12.379 4.675
472 H LYS 60 H LYS 60 5.233 -11.826 5.015
473 HA LYS 60 HA LYS 60 4.965 -13.969 6.923
474 1HB LYS 60 HB1 LYS 60 3.748 -12.141 8.487
475 2HB LYS 60 HB2 LYS 60 5.521 -12.368 8.637
476 1HG LYS 60 HG1 LYS 60 5.972 -10.382 7.173
477 2HG LYS 60 HG2 LYS 60 4.239 -10.098 6.997
478 1HD LYS 60 HD1 LYS 60 5.283 -8.623 8.591
479 2HD LYS 60 HD2 LYS 60 4.004 -9.597 9.386
480 1HE LYS 60 HE1 LYS 60 5.539 -10.980 10.518
481 2HE LYS 60 HE2 LYS 60 6.974 -10.404 9.542
482 1HZ LYS 60 HZ1 LYS 60 5.392 -8.760 11.449
483 2HZ LYS 60 HZ2 LYS 60 6.941 -9.406 11.712
484 3HZ LYS 60 HZ3 LYS 60 6.704 -8.229 10.511
No H/Q in entry = 484
Start of MODEL 2
1 H TRP 1 H TRP 1 12.613 -13.042 3.570
2 HA TRP 1 HA TRP 1 11.158 -12.594 1.275
3 1HB TRP 1 HB1 TRP 1 9.153 -12.259 2.516
4 2HB TRP 1 HB2 TRP 1 9.915 -11.361 3.842
5 HD1 TRP 1 HD1 TRP 1 8.122 -10.606 0.507
6 HE1 TRP 1 HE1 TRP 1 7.945 -8.174 0.288
7 HE3 TRP 1 HE3 TRP 1 11.353 -9.274 4.291
8 HZ2 TRP 1 HZ2 TRP 1 9.384 -5.867 1.242
9 HZ3 TRP 1 HZ3 TRP 1 11.798 -6.883 4.645
10 HH2 TRP 1 HH2 TRP 1 10.835 -5.188 3.139
11 H GLN 2 H GLN 2 11.919 -10.712 0.245
12 HA GLN 2 HA GLN 2 13.840 -8.939 1.475
13 1HB GLN 2 HB1 GLN 2 14.348 -10.697 -1.029
14 2HB GLN 2 HB2 GLN 2 15.302 -9.218 -0.660
15 1HG GLN 2 HG1 GLN 2 16.206 -10.271 1.430
16 2HG GLN 2 HG2 GLN 2 15.160 -11.708 1.186
17 1HE2 GLN 2 HE21 GLN 2 18.272 -11.316 -1.453
18 2HE2 GLN 2 HE22 GLN 2 17.555 -9.848 -0.842
19 HA PRO 3 HA PRO 3 10.642 -6.818 -0.487
20 1HB PRO 3 HB1 PRO 3 11.642 -4.207 -1.064
21 2HB PRO 3 HB2 PRO 3 11.184 -4.908 0.519
22 1HG PRO 3 HG1 PRO 3 13.960 -4.865 -0.822
23 2HG PRO 3 HG2 PRO 3 13.581 -4.373 0.886
24 1HD PRO 3 HD1 PRO 3 14.611 -6.797 0.242
25 2HD PRO 3 HD2 PRO 3 13.338 -6.647 1.552
26 HA PRO 4 HA PRO 4 10.875 -7.283 -5.027
27 1HB PRO 4 HB1 PRO 4 7.869 -7.834 -4.530
28 2HB PRO 4 HB2 PRO 4 9.060 -8.771 -5.524
29 1HG PRO 4 HG1 PRO 4 8.411 -9.738 -3.059
30 2HG PRO 4 HG2 PRO 4 10.125 -9.523 -3.451
31 1HD PRO 4 HD1 PRO 4 8.559 -7.225 -1.913
32 2HD PRO 4 HD2 PRO 4 9.851 -8.374 -1.472
33 H TRP 5 H TRP 5 7.611 -6.358 -5.532
34 HA TRP 5 HA TRP 5 8.307 -3.861 -6.698
35 1HB TRP 5 HB1 TRP 5 5.874 -3.796 -7.495
36 2HB TRP 5 HB2 TRP 5 6.945 -4.890 -8.190
37 HD1 TRP 5 HD1 TRP 5 6.570 -7.602 -7.804
38 HE1 TRP 5 HE1 TRP 5 4.132 -8.704 -7.653
39 HE3 TRP 5 HE3 TRP 5 3.721 -3.853 -6.110
40 HZ2 TRP 5 HZ2 TRP 5 1.457 -7.759 -7.984
41 HZ3 TRP 5 HZ3 TRP 5 1.462 -3.673 -6.501
42 HH2 TRP 5 HH2 TRP 5 0.180 -5.681 -7.431
43 H TYR 6 H TYR 6 5.573 -4.850 -4.723
44 HA TYR 6 HA TYR 6 4.081 -2.782 -4.205
45 1HB TYR 6 HB1 TYR 6 4.507 -4.533 -1.745
46 2HB TYR 6 HB2 TYR 6 3.026 -4.117 -2.657
47 HD1 TYR 6 HD1 TYR 6 5.988 -6.185 -2.347
48 HD2 TYR 6 HD2 TYR 6 2.371 -5.606 -4.511
49 HE1 TYR 6 HE1 TYR 6 6.011 -8.648 -3.262
50 HE2 TYR 6 HE2 TYR 6 2.425 -7.947 -5.334
51 HH TYR 6 HH TYR 6 5.029 -10.197 -4.483
52 H CYS 7 H CYS 7 6.690 -3.397 -1.894
53 HA CYS 7 HA CYS 7 6.219 -1.408 -0.254
54 1HB CYS 7 HB1 CYS 7 9.124 -2.280 -0.670
55 2HB CYS 7 HB2 CYS 7 8.214 -2.022 0.841
56 H LYS 8 H LYS 8 8.295 -1.331 -3.098
57 HA LYS 8 HA LYS 8 9.297 1.381 -2.803
58 1HB LYS 8 HB1 LYS 8 9.704 -0.964 -4.774
59 2HB LYS 8 HB2 LYS 8 10.628 0.572 -4.894
60 1HG LYS 8 HG1 LYS 8 11.801 0.187 -2.892
61 2HG LYS 8 HG2 LYS 8 10.728 -1.136 -2.338
62 1HD LYS 8 HD1 LYS 8 11.392 -2.611 -4.133
63 2HD LYS 8 HD2 LYS 8 12.321 -1.317 -4.957
64 1HE LYS 8 HE1 LYS 8 13.051 -2.438 -2.167
65 2HE LYS 8 HE2 LYS 8 13.783 -2.986 -3.731
66 1HZ LYS 8 HZ1 LYS 8 14.510 -0.742 -4.134
67 2HZ LYS 8 HZ2 LYS 8 13.836 -0.214 -2.667
68 3HZ LYS 8 HZ3 LYS 8 15.116 -1.330 -2.660
69 H GLU 9 H GLU 9 6.611 -0.201 -4.360
70 HA GLU 9 HA GLU 9 6.512 1.072 -6.820
71 1HB GLU 9 HB1 GLU 9 5.669 -1.072 -6.372
72 2HB GLU 9 HB2 GLU 9 4.461 -0.492 -5.217
73 1HG GLU 9 HG1 GLU 9 4.254 0.627 -8.103
74 2HG GLU 9 HG2 GLU 9 4.161 -1.157 -7.905
75 HA PRO 10 HA PRO 10 5.138 5.003 -5.506
76 1HB PRO 10 HB1 PRO 10 3.729 5.284 -8.226
77 2HB PRO 10 HB2 PRO 10 4.798 6.475 -7.385
78 1HG PRO 10 HG1 PRO 10 5.820 4.895 -9.325
79 2HG PRO 10 HG2 PRO 10 6.732 4.996 -7.764
80 1HD PRO 10 HD1 PRO 10 4.707 2.817 -8.581
81 2HD PRO 10 HD2 PRO 10 6.419 2.630 -7.989
82 H VAL 11 H VAL 11 3.662 5.888 -4.097
83 HA VAL 11 HA VAL 11 0.952 5.050 -3.912
84 HB VAL 11 HB VAL 11 2.314 5.300 -1.990
85 1HG1 VAL 11 HG11 VAL 11 3.878 7.154 -2.635
86 2HG1 VAL 11 HG12 VAL 11 2.509 8.329 -2.649
87 3HG1 VAL 11 HG13 VAL 11 3.023 7.565 -1.113
88 1HG2 VAL 11 HG21 VAL 11 -0.126 5.573 -1.750
89 2HG2 VAL 11 HG22 VAL 11 0.762 6.595 -0.583
90 3HG2 VAL 11 HG23 VAL 11 -0.005 7.364 -2.008
91 H ARG 12 H ARG 12 -0.895 5.952 -4.739
92 HA ARG 12 HA ARG 12 -0.977 8.716 -5.808
93 1HB ARG 12 HB1 ARG 12 -1.078 6.179 -7.193
94 2HB ARG 12 HB2 ARG 12 -2.121 7.486 -7.863
95 1HG ARG 12 HG1 ARG 12 0.714 8.321 -7.253
96 2HG ARG 12 HG2 ARG 12 0.368 7.117 -8.489
97 1HD ARG 12 HD1 ARG 12 0.271 9.521 -9.458
98 2HD ARG 12 HD2 ARG 12 -1.380 8.774 -9.476
99 HE ARG 12 HE ARG 12 -0.428 10.442 -7.088
100 1HH1 ARG 12 HH11 ARG 12 -2.880 9.923 -9.515
101 2HH1 ARG 12 HH12 ARG 12 -3.849 11.222 -8.895
102 1HH2 ARG 12 HH21 ARG 12 -1.659 12.038 -6.395
103 2HH2 ARG 12 HH22 ARG 12 -3.232 12.281 -7.021
104 H ILE 13 H ILE 13 -3.199 9.621 -5.240
105 HA ILE 13 HA ILE 13 -5.160 7.717 -4.249
106 HB ILE 13 HB ILE 13 -4.476 9.745 -3.023
107 1HG1 ILE 13 HG11 ILE 13 -7.432 9.031 -3.485
108 2HG1 ILE 13 HG12 ILE 13 -6.202 8.143 -2.521
109 1HG2 ILE 13 HG21 ILE 13 -4.859 11.566 -4.756
110 2HG2 ILE 13 HG22 ILE 13 -6.635 11.109 -4.717
111 3HG2 ILE 13 HG23 ILE 13 -5.815 11.761 -3.276
112 1HD1 ILE 13 HD11 ILE 13 -7.227 10.986 -1.846
113 2HD1 ILE 13 HD12 ILE 13 -7.815 9.465 -1.077
114 3HD1 ILE 13 HD13 ILE 13 -6.097 9.974 -0.853
115 H GLY 14 H GLY 14 -5.150 10.066 -6.927
116 1HA GLY 14 HA1 GLY 14 -6.515 10.074 -8.850
117 2HA GLY 14 HA2 GLY 14 -7.409 8.680 -8.184
118 H SER 15 H SER 15 -9.228 9.978 -9.280
119 HA SER 15 HA SER 15 -10.875 11.207 -7.340
120 1HB SER 15 HB1 SER 15 -9.636 13.133 -9.415
121 2HB SER 15 HB2 SER 15 -11.235 13.460 -8.653
122 HG SER 15 HG SER 15 -9.012 12.837 -7.030
123 H CYS 16 H CYS 16 -11.815 9.266 -8.094
124 HA CYS 16 HA CYS 16 -13.159 9.527 -10.741
125 1HB CYS 16 HB1 CYS 16 -11.142 7.915 -10.460
126 2HB CYS 16 HB2 CYS 16 -12.208 6.833 -9.552
127 H LYS 17 H LYS 17 -13.339 7.345 -7.983
128 HA LYS 17 HA LYS 17 -16.291 7.427 -8.126
129 1HB LYS 17 HB1 LYS 17 -14.332 5.509 -6.773
130 2HB LYS 17 HB2 LYS 17 -16.116 5.321 -6.693
131 1HG LYS 17 HG1 LYS 17 -14.415 5.327 -9.266
132 2HG LYS 17 HG2 LYS 17 -14.890 3.865 -8.365
133 1HD LYS 17 HD1 LYS 17 -16.846 5.874 -9.703
134 2HD LYS 17 HD2 LYS 17 -16.328 4.292 -10.368
135 1HE LYS 17 HE1 LYS 17 -17.414 3.108 -8.420
136 2HE LYS 17 HE2 LYS 17 -17.995 4.704 -7.788
137 1HZ LYS 17 HZ1 LYS 17 -18.635 3.540 -10.440
138 2HZ LYS 17 HZ2 LYS 17 -19.651 3.597 -9.081
139 3HZ LYS 17 HZ3 LYS 17 -19.170 5.037 -9.844
140 H LYS 18 H LYS 18 -14.254 6.871 -5.268
141 HA LYS 18 HA LYS 18 -15.270 9.247 -3.939
142 1HB LYS 18 HB1 LYS 18 -16.506 8.203 -2.162
143 2HB LYS 18 HB2 LYS 18 -17.070 7.420 -3.661
144 1HG LYS 18 HG1 LYS 18 -15.468 5.505 -3.181
145 2HG LYS 18 HG2 LYS 18 -15.354 6.124 -1.517
146 1HD LYS 18 HD1 LYS 18 -17.964 5.320 -2.914
147 2HD LYS 18 HD2 LYS 18 -17.080 4.392 -1.645
148 1HE LYS 18 HE1 LYS 18 -18.355 7.170 -1.167
149 2HE LYS 18 HE2 LYS 18 -19.096 5.574 -0.753
150 1HZ LYS 18 HZ1 LYS 18 -17.228 5.106 0.657
151 2HZ LYS 18 HZ2 LYS 18 -16.508 6.597 0.274
152 3HZ LYS 18 HZ3 LYS 18 -17.988 6.557 1.107
153 H GLN 19 H GLN 19 -14.221 7.804 -1.359
154 HA GLN 19 HA GLN 19 -11.455 7.305 -2.186
155 1HB GLN 19 HB1 GLN 19 -11.848 8.593 0.543
156 2HB GLN 19 HB2 GLN 19 -10.489 8.580 -0.616
157 1HG GLN 19 HG1 GLN 19 -12.915 10.473 -0.570
158 2HG GLN 19 HG2 GLN 19 -11.207 10.830 -0.241
159 1HE2 GLN 19 HE21 GLN 19 -10.372 10.878 -3.813
160 2HE2 GLN 19 HE22 GLN 19 -9.709 10.158 -2.361
161 H PHE 20 H PHE 20 -11.375 5.055 -1.877
162 HA PHE 20 HA PHE 20 -13.174 3.759 0.036
163 1HB PHE 20 HB1 PHE 20 -11.189 2.383 -1.891
164 2HB PHE 20 HB2 PHE 20 -12.572 1.693 -1.049
165 HD1 PHE 20 HD1 PHE 20 -14.951 2.589 -1.568
166 HD2 PHE 20 HD2 PHE 20 -11.592 3.168 -4.270
167 HE1 PHE 20 HE1 PHE 20 -16.482 2.854 -3.503
168 HE2 PHE 20 HE2 PHE 20 -13.113 3.394 -6.107
169 HZ PHE 20 HZ PHE 20 -15.580 3.225 -5.756
170 H SER 21 H SER 21 -12.292 2.508 1.852
171 HA SER 21 HA SER 21 -9.959 3.476 3.069
172 1HB SER 21 HB1 SER 21 -12.107 2.529 4.132
173 2HB SER 21 HB2 SER 21 -11.471 0.880 3.856
174 HG SER 21 HG SER 21 -9.634 1.596 5.197
175 H SER 22 H SER 22 -7.774 3.030 2.560
176 HA SER 22 HA SER 22 -7.068 0.209 2.049
177 1HB SER 22 HB1 SER 22 -5.590 0.736 0.346
178 2HB SER 22 HB2 SER 22 -6.753 2.024 -0.008
179 HG SER 22 HG SER 22 -5.180 3.097 1.727
180 H PHE 23 H PHE 23 -4.481 0.398 2.043
181 HA PHE 23 HA PHE 23 -3.243 1.722 4.302
182 1HB PHE 23 HB1 PHE 23 -3.572 -1.373 4.043
183 2HB PHE 23 HB2 PHE 23 -2.080 -0.671 4.759
184 HD1 PHE 23 HD1 PHE 23 -2.193 0.845 6.732
185 HD2 PHE 23 HD2 PHE 23 -5.612 -1.376 5.379
186 HE1 PHE 23 HE1 PHE 23 -3.241 1.146 8.942
187 HE2 PHE 23 HE2 PHE 23 -6.673 -1.104 7.622
188 HZ PHE 23 HZ PHE 23 -5.493 0.163 9.400
189 H TYR 24 H TYR 24 -1.064 2.320 3.473
190 HA TYR 24 HA TYR 24 -0.181 0.748 1.087
191 1HB TYR 24 HB1 TYR 24 0.673 2.454 -0.116
192 2HB TYR 24 HB2 TYR 24 -0.907 3.090 0.420
193 HD1 TYR 24 HD1 TYR 24 -0.858 4.942 2.324
194 HD2 TYR 24 HD2 TYR 24 2.664 3.527 0.292
195 HE1 TYR 24 HE1 TYR 24 0.303 7.007 2.927
196 HE2 TYR 24 HE2 TYR 24 3.887 5.557 1.016
197 HH TYR 24 HH TYR 24 2.332 8.176 2.809
198 H PHE 25 H PHE 25 2.226 0.360 0.882
199 HA PHE 25 HA PHE 25 3.377 0.196 3.607
200 1HB PHE 25 HB1 PHE 25 3.259 -1.898 2.013
201 2HB PHE 25 HB2 PHE 25 4.529 -1.117 1.047
202 HD1 PHE 25 HD1 PHE 25 6.820 -0.675 2.270
203 HD2 PHE 25 HD2 PHE 25 3.676 -3.097 4.085
204 HE1 PHE 25 HE1 PHE 25 8.399 -1.718 3.928
205 HE2 PHE 25 HE2 PHE 25 5.145 -3.838 5.711
206 HZ PHE 25 HZ PHE 25 7.582 -3.241 5.626
207 H LYS 26 H LYS 26 4.838 1.834 4.272
208 HA LYS 26 HA LYS 26 5.867 3.630 2.274
209 1HB LYS 26 HB1 LYS 26 4.796 4.261 4.445
210 2HB LYS 26 HB2 LYS 26 6.417 4.009 5.174
211 1HG LYS 26 HG1 LYS 26 7.337 5.450 3.177
212 2HG LYS 26 HG2 LYS 26 5.584 5.505 2.704
213 1HD LYS 26 HD1 LYS 26 5.263 7.235 3.968
214 2HD LYS 26 HD2 LYS 26 5.670 6.161 5.370
215 1HE LYS 26 HE1 LYS 26 7.062 8.200 5.589
216 2HE LYS 26 HE2 LYS 26 8.074 6.737 5.225
217 1HZ LYS 26 HZ2 LYS 26 7.163 8.794 3.263
218 2HZ LYS 26 HZ3 LYS 26 8.718 8.669 3.935
219 3HZ LYS 26 HZ1 LYS 26 8.130 7.440 2.921
220 H TRP 27 H TRP 27 7.711 2.749 1.290
221 HA TRP 27 HA TRP 27 9.376 0.726 2.056
222 1HB TRP 27 HB1 TRP 27 9.448 1.173 -0.134
223 2HB TRP 27 HB2 TRP 27 9.277 2.937 0.041
224 HD1 TRP 27 HD1 TRP 27 11.491 4.155 -0.842
225 HE1 TRP 27 HE1 TRP 27 13.918 3.370 -1.277
226 HE3 TRP 27 HE3 TRP 27 11.047 -0.528 0.887
227 HZ2 TRP 27 HZ2 TRP 27 15.518 1.065 -0.689
228 HZ3 TRP 27 HZ3 TRP 27 13.029 -2.027 1.012
229 HH2 TRP 27 HH2 TRP 27 15.253 -1.239 0.226
230 H THR 28 H THR 28 9.853 4.149 2.818
231 HA THR 28 HA THR 28 12.460 3.951 3.868
232 HB THR 28 HB THR 28 11.708 6.478 4.430
233 HG1 THR 28 HG1 THR 28 9.846 6.984 3.180
234 1HG2 THR 28 HG21 THR 28 11.735 5.312 1.556
235 2HG2 THR 28 HG22 THR 28 12.034 7.032 2.008
236 3HG2 THR 28 HG23 THR 28 13.187 5.747 2.521
237 H ALA 29 H ALA 29 9.157 3.823 5.232
238 HA ALA 29 HA ALA 29 10.078 4.198 7.989
239 1HB ALA 29 HB1 ALA 29 7.820 5.083 7.270
240 2HB ALA 29 HB2 ALA 29 7.277 3.405 6.907
241 3HB ALA 29 HB3 ALA 29 7.667 3.895 8.594
242 H LYS 30 H LYS 30 9.040 1.642 5.801
243 HA LYS 30 HA LYS 30 9.267 -0.491 5.731
244 1HB LYS 30 HB1 LYS 30 11.445 -0.016 7.309
245 2HB LYS 30 HB2 LYS 30 10.600 -1.256 8.265
246 1HG LYS 30 HG1 LYS 30 12.127 -2.326 6.800
247 2HG LYS 30 HG2 LYS 30 10.532 -2.690 6.064
248 1HD LYS 30 HD1 LYS 30 10.973 -1.106 4.227
249 2HD LYS 30 HD2 LYS 30 12.191 -0.248 5.197
250 1HE LYS 30 HE1 LYS 30 13.369 -1.392 3.452
251 2HE LYS 30 HE2 LYS 30 13.785 -2.157 5.035
252 1HZ LYS 30 HZ1 LYS 30 11.843 -3.190 3.029
253 2HZ LYS 30 HZ2 LYS 30 13.416 -3.768 3.310
254 3HZ LYS 30 HZ3 LYS 30 12.228 -3.920 4.514
255 H LYS 31 H LYS 31 7.012 0.876 6.872
256 HA LYS 31 HA LYS 31 5.545 -1.452 7.661
257 1HB LYS 31 HB1 LYS 31 6.431 0.203 9.729
258 2HB LYS 31 HB2 LYS 31 4.787 0.830 9.529
259 1HG LYS 31 HG1 LYS 31 5.642 -2.124 10.021
260 2HG LYS 31 HG2 LYS 31 5.151 -0.932 11.269
261 1HD LYS 31 HD1 LYS 31 2.848 -0.792 10.171
262 2HD LYS 31 HD2 LYS 31 3.332 -2.192 9.133
263 1HE LYS 31 HE1 LYS 31 3.681 -3.582 11.212
264 2HE LYS 31 HE2 LYS 31 3.174 -2.172 12.228
265 1HZ LYS 31 HZ1 LYS 31 1.039 -2.202 11.114
266 2HZ LYS 31 HZ2 LYS 31 1.509 -3.532 10.168
267 3HZ LYS 31 HZ3 LYS 31 1.372 -3.694 11.853
268 H CYS 32 H CYS 32 3.105 -0.695 8.026
269 HA CYS 32 HA CYS 32 2.246 0.404 5.499
270 1HB CYS 32 HB1 CYS 32 0.740 -1.134 7.733
271 2HB CYS 32 HB2 CYS 32 0.070 -0.818 6.079
272 H LEU 33 H LEU 33 1.372 2.427 5.243
273 HA LEU 33 HA LEU 33 0.383 3.858 7.656
274 1HB LEU 33 HB1 LEU 33 1.026 5.102 4.922
275 2HB LEU 33 HB2 LEU 33 0.601 5.939 6.445
276 HG LEU 33 HG LEU 33 3.224 4.536 5.726
277 1HD1 LEU 33 HD11 LEU 33 2.283 7.388 6.438
278 2HD1 LEU 33 HD12 LEU 33 4.008 6.926 6.371
279 3HD1 LEU 33 HD13 LEU 33 2.984 6.791 4.883
280 1HD2 LEU 33 HD21 LEU 33 2.687 3.945 8.150
281 2HD2 LEU 33 HD22 LEU 33 4.053 5.109 8.012
282 3HD2 LEU 33 HD23 LEU 33 2.421 5.692 8.487
283 HA PRO 34 HA PRO 34 -3.685 3.475 5.479
284 1HB PRO 34 HB1 PRO 34 -5.298 4.875 7.228
285 2HB PRO 34 HB2 PRO 34 -4.455 3.372 7.736
286 1HG PRO 34 HG1 PRO 34 -3.576 6.268 8.254
287 2HG PRO 34 HG2 PRO 34 -3.705 4.923 9.457
288 1HD PRO 34 HD1 PRO 34 -1.324 5.677 8.057
289 2HD PRO 34 HD2 PRO 34 -1.641 4.006 8.736
290 H PHE 35 H PHE 35 -4.293 4.342 3.720
291 HA PHE 35 HA PHE 35 -4.944 7.142 3.602
292 1HB PHE 35 HB1 PHE 35 -3.687 7.990 1.879
293 2HB PHE 35 HB2 PHE 35 -2.459 6.930 2.603
294 HD1 PHE 35 HD1 PHE 35 -3.053 4.277 1.553
295 HD2 PHE 35 HD2 PHE 35 -3.445 8.064 -0.517
296 HE1 PHE 35 HE1 PHE 35 -3.018 3.164 -0.502
297 HE2 PHE 35 HE2 PHE 35 -3.318 6.827 -2.684
298 HZ PHE 35 HZ PHE 35 -3.372 4.338 -2.633
299 H LEU 36 H LEU 36 -6.258 7.240 1.190
300 HA LEU 36 HA LEU 36 -7.907 4.821 1.125
301 1HB LEU 36 HB1 LEU 36 -8.650 7.818 0.672
302 2HB LEU 36 HB2 LEU 36 -9.697 6.422 0.489
303 HG LEU 36 HG LEU 36 -8.604 6.341 3.185
304 1HD1 LEU 36 HD11 LEU 36 -8.070 8.749 2.898
305 2HD1 LEU 36 HD12 LEU 36 -9.765 9.080 2.363
306 3HD1 LEU 36 HD13 LEU 36 -9.437 8.545 4.052
307 1HD2 LEU 36 HD21 LEU 36 -10.827 5.408 2.611
308 2HD2 LEU 36 HD22 LEU 36 -10.935 6.614 3.921
309 3HD2 LEU 36 HD23 LEU 36 -11.470 7.058 2.267
310 H PHE 37 H PHE 37 -8.863 4.585 -1.004
311 HA PHE 37 HA PHE 37 -7.171 5.592 -3.295
312 1HB PHE 37 HB1 PHE 37 -6.760 3.245 -2.624
313 2HB PHE 37 HB2 PHE 37 -8.546 2.884 -2.684
314 HD1 PHE 37 HD1 PHE 37 -6.062 4.487 -5.176
315 HD2 PHE 37 HD2 PHE 37 -9.014 1.432 -4.379
316 HE1 PHE 37 HE1 PHE 37 -5.724 3.523 -7.422
317 HE2 PHE 37 HE2 PHE 37 -8.728 0.582 -6.691
318 HZ PHE 37 HZ PHE 37 -6.985 1.567 -8.155
319 H SER 38 H SER 38 -8.336 6.662 -5.136
320 HA SER 38 HA SER 38 -11.271 6.584 -4.948
321 1HB SER 38 HB1 SER 38 -9.854 8.701 -5.401
322 2HB SER 38 HB2 SER 38 -9.726 8.123 -7.089
323 HG SER 38 HG SER 38 -12.129 8.574 -5.547
324 H GLY 39 H GLY 39 -8.813 4.930 -6.819
325 1HA GLY 39 HA1 GLY 39 -9.438 2.902 -7.717
326 2HA GLY 39 HA2 GLY 39 -10.897 3.482 -8.378
327 H CYS 40 H CYS 40 -10.149 5.699 -9.798
328 HA CYS 40 HA CYS 40 -8.270 4.722 -11.858
329 1HB CYS 40 HB1 CYS 40 -10.018 7.144 -12.453
330 2HB CYS 40 HB2 CYS 40 -9.543 5.769 -13.477
331 H GLY 41 H GLY 41 -6.199 5.644 -11.675
332 1HA GLY 41 HA1 GLY 41 -5.214 8.018 -11.705
333 2HA GLY 41 HA2 GLY 41 -6.025 8.196 -10.110
334 H GLY 42 H GLY 42 -5.639 5.657 -8.980
335 1HA GLY 42 HA1 GLY 42 -2.713 5.610 -8.616
336 2HA GLY 42 HA2 GLY 42 -3.981 4.862 -7.600
337 H ASN 43 H ASN 43 -2.306 3.054 -7.689
338 HA ASN 43 HA ASN 43 -3.068 1.328 -9.942
339 1HB ASN 43 HB1 ASN 43 -0.870 0.654 -10.610
340 2HB ASN 43 HB2 ASN 43 -1.100 2.431 -10.791
341 1HD2 ASN 43 HD21 ASN 43 1.327 3.182 -8.125
342 2HD2 ASN 43 HD22 ASN 43 -0.045 3.831 -8.962
343 H ALA 44 H ALA 44 -0.553 0.187 -7.632
344 HA ALA 44 HA ALA 44 -2.703 -1.394 -6.352
345 1HB ALA 44 HB1 ALA 44 -0.721 -2.627 -8.317
346 2HB ALA 44 HB2 ALA 44 -1.806 -3.588 -7.205
347 3HB ALA 44 HB3 ALA 44 -2.491 -2.535 -8.472
348 H ASN 45 H ASN 45 -0.472 0.369 -5.357
349 HA ASN 45 HA ASN 45 0.790 -1.549 -3.412
350 1HB ASN 45 HB1 ASN 45 2.427 0.029 -4.325
351 2HB ASN 45 HB2 ASN 45 1.446 1.451 -3.891
352 1HD2 ASN 45 HD21 ASN 45 3.982 1.535 -1.304
353 2HD2 ASN 45 HD22 ASN 45 3.732 1.981 -2.995
354 H ARG 46 H ARG 46 -2.040 -1.304 -3.208
355 HA ARG 46 HA ARG 46 -2.469 0.193 -0.796
356 1HB ARG 46 HB1 ARG 46 -4.442 1.427 -1.498
357 2HB ARG 46 HB2 ARG 46 -3.006 1.916 -2.445
358 1HG ARG 46 HG1 ARG 46 -4.916 -0.072 -3.684
359 2HG ARG 46 HG2 ARG 46 -5.312 1.674 -3.635
360 1HD ARG 46 HD1 ARG 46 -2.763 0.538 -4.888
361 2HD ARG 46 HD2 ARG 46 -4.251 1.054 -5.766
362 HE ARG 46 HE ARG 46 -3.930 3.348 -4.947
363 1HH1 ARG 46 HH11 ARG 46 -0.875 1.960 -4.409
364 2HH1 ARG 46 HH12 ARG 46 -0.087 2.901 -5.613
365 1HH2 ARG 46 HH21 ARG 46 -2.776 4.956 -5.753
366 2HH2 ARG 46 HH22 ARG 46 -1.195 4.642 -6.344
367 H PHE 47 H PHE 47 -3.254 -0.964 0.485
368 HA PHE 47 HA PHE 47 -4.198 -3.627 -0.265
369 1HB PHE 47 HB1 PHE 47 -2.852 -2.459 2.294
370 2HB PHE 47 HB2 PHE 47 -3.000 -4.207 1.914
371 HD1 PHE 47 HD1 PHE 47 -2.086 -4.482 -0.918
372 HD2 PHE 47 HD2 PHE 47 -0.642 -1.645 1.989
373 HE1 PHE 47 HE1 PHE 47 0.036 -4.254 -2.139
374 HE2 PHE 47 HE2 PHE 47 1.462 -1.527 0.781
375 HZ PHE 47 HZ PHE 47 1.823 -2.775 -1.276
376 H GLN 48 H GLN 48 -6.103 -4.338 0.278
377 HA GLN 48 HA GLN 48 -8.087 -2.432 0.926
378 1HB GLN 48 HB1 GLN 48 -8.322 -5.472 0.565
379 2HB GLN 48 HB2 GLN 48 -9.692 -4.316 0.597
380 1HG GLN 48 HG1 GLN 48 -9.226 -4.878 -1.722
381 2HG GLN 48 HG2 GLN 48 -8.823 -3.145 -1.446
382 1HE2 GLN 48 HE21 GLN 48 -5.539 -3.581 -2.665
383 2HE2 GLN 48 HE22 GLN 48 -7.023 -2.779 -2.892
384 H THR 49 H THR 49 -6.517 -4.789 3.015
385 HA THR 49 HA THR 49 -7.688 -3.617 5.371
386 HB THR 49 HB THR 49 -7.941 -6.077 6.335
387 HG1 THR 49 HG1 THR 49 -8.915 -7.310 4.534
388 1HG2 THR 49 HG21 THR 49 -9.835 -4.453 6.079
389 2HG2 THR 49 HG22 THR 49 -10.070 -4.991 4.378
390 3HG2 THR 49 HG23 THR 49 -10.327 -6.142 5.735
391 H ILE 50 H ILE 50 -6.234 -4.529 7.322
392 HA ILE 50 HA ILE 50 -3.500 -4.569 6.424
393 HB ILE 50 HB ILE 50 -4.585 -3.143 8.341
394 1HG1 ILE 50 HG11 ILE 50 -1.755 -4.272 8.646
395 2HG1 ILE 50 HG12 ILE 50 -2.261 -2.997 7.471
396 1HG2 ILE 50 HG21 ILE 50 -5.363 -5.146 9.718
397 2HG2 ILE 50 HG22 ILE 50 -3.627 -5.591 9.951
398 3HG2 ILE 50 HG23 ILE 50 -4.263 -4.050 10.620
399 1HD1 ILE 50 HD11 ILE 50 -3.004 -1.596 9.465
400 2HD1 ILE 50 HD12 ILE 50 -2.350 -2.874 10.553
401 3HD1 ILE 50 HD13 ILE 50 -1.247 -1.992 9.445
402 H GLY 51 H GLY 51 -1.976 -6.396 6.774
403 1HA GLY 51 HA1 GLY 51 -1.840 -8.761 7.232
404 2HA GLY 51 HA2 GLY 51 -3.553 -8.851 6.650
405 H GLU 52 H GLU 52 -3.661 -7.122 4.545
406 HA GLU 52 HA GLU 52 -2.282 -8.583 2.519
407 1HB GLU 52 HB1 GLU 52 -4.653 -8.011 2.353
408 2HB GLU 52 HB2 GLU 52 -4.271 -6.271 2.436
409 1HG GLU 52 HG1 GLU 52 -4.926 -6.995 0.128
410 2HG GLU 52 HG2 GLU 52 -3.345 -6.272 0.174
411 H CYS 53 H CYS 53 -1.497 -5.641 4.104
412 HA CYS 53 HA CYS 53 0.174 -4.432 2.077
413 1HB CYS 53 HB1 CYS 53 -1.033 -3.119 4.010
414 2HB CYS 53 HB2 CYS 53 -0.121 -4.033 5.156
415 H ARG 54 H ARG 54 0.547 -6.204 4.858
416 HA ARG 54 HA ARG 54 3.350 -6.515 5.194
417 1HB ARG 54 HB1 ARG 54 0.815 -7.647 6.501
418 2HB ARG 54 HB2 ARG 54 2.454 -8.036 7.085
419 1HG ARG 54 HG1 ARG 54 2.969 -5.610 7.373
420 2HG ARG 54 HG2 ARG 54 1.298 -5.170 6.859
421 1HD ARG 54 HD1 ARG 54 2.141 -6.625 9.435
422 2HD ARG 54 HD2 ARG 54 1.522 -4.932 9.215
423 HE ARG 54 HE ARG 54 -0.141 -7.292 8.374
424 1HH1 ARG 54 HH11 ARG 54 0.169 -4.716 10.799
425 2HH1 ARG 54 HH12 ARG 54 -1.043 -5.450 11.797
426 1HH2 ARG 54 HH21 ARG 54 -1.610 -8.128 9.666
427 2HH2 ARG 54 HH22 ARG 54 -2.066 -7.354 11.145
428 H LYS 55 H LYS 55 0.726 -8.802 4.003
429 HA LYS 55 HA LYS 55 2.712 -10.821 3.280
430 1HB LYS 55 HB1 LYS 55 0.440 -11.306 4.220
431 2HB LYS 55 HB2 LYS 55 -0.310 -10.686 2.715
432 1HG LYS 55 HG1 LYS 55 1.064 -12.514 1.467
433 2HG LYS 55 HG2 LYS 55 1.515 -13.159 3.089
434 1HD LYS 55 HD1 LYS 55 -0.900 -13.620 3.547
435 2HD LYS 55 HD2 LYS 55 -1.360 -12.686 2.075
436 1HE LYS 55 HE1 LYS 55 -0.108 -14.420 0.655
437 2HE LYS 55 HE2 LYS 55 0.046 -15.434 2.146
438 1HZ LYS 55 HZ1 LYS 55 -2.485 -14.438 0.919
439 2HZ LYS 55 HZ2 LYS 55 -1.867 -16.016 0.816
440 3HZ LYS 55 HZ3 LYS 55 -2.368 -15.397 2.315
441 H LYS 56 H LYS 56 3.600 -8.777 2.127
442 HA LYS 56 HA LYS 56 3.821 -9.201 -0.649
443 1HB LYS 56 HB1 LYS 56 2.228 -6.677 0.188
444 2HB LYS 56 HB2 LYS 56 3.265 -6.671 -1.262
445 1HG LYS 56 HG1 LYS 56 2.165 -8.735 -2.047
446 2HG LYS 56 HG2 LYS 56 0.863 -8.490 -0.863
447 1HD LYS 56 HD1 LYS 56 1.282 -6.108 -2.797
448 2HD LYS 56 HD2 LYS 56 0.720 -7.671 -3.424
449 1HE LYS 56 HE1 LYS 56 -1.167 -7.957 -1.900
450 2HE LYS 56 HE2 LYS 56 -0.811 -6.420 -1.067
451 1HZ LYS 56 HZ1 LYS 56 -1.462 -6.733 -3.948
452 2HZ LYS 56 HZ2 LYS 56 -2.494 -6.180 -2.716
453 3HZ LYS 56 HZ3 LYS 56 -1.130 -5.268 -3.154
454 H CYS 57 H CYS 57 4.259 -6.958 2.163
455 HA CYS 57 HA CYS 57 7.059 -6.473 1.215
456 1HB CYS 57 HB1 CYS 57 4.946 -4.733 2.535
457 2HB CYS 57 HB2 CYS 57 6.678 -4.238 2.549
458 H LEU 58 H LEU 58 5.798 -8.307 3.989
459 HA LEU 58 HA LEU 58 8.387 -7.454 5.285
460 1HB LEU 58 HB1 LEU 58 5.705 -7.496 6.619
461 2HB LEU 58 HB2 LEU 58 7.170 -7.846 7.595
462 HG LEU 58 HG LEU 58 6.782 -5.362 5.970
463 1HD1 LEU 58 HD11 LEU 58 5.203 -5.544 8.018
464 2HD1 LEU 58 HD12 LEU 58 6.637 -5.899 9.040
465 3HD1 LEU 58 HD13 LEU 58 6.472 -4.275 8.297
466 1HD2 LEU 58 HD21 LEU 58 8.997 -6.037 7.958
467 2HD2 LEU 58 HD22 LEU 58 9.168 -5.711 6.184
468 3HD2 LEU 58 HD23 LEU 58 8.655 -4.395 7.276
469 H GLY 59 H GLY 59 6.670 -10.056 4.083
470 1HA GLY 59 HA1 GLY 59 6.802 -12.219 4.133
471 2HA GLY 59 HA2 GLY 59 8.363 -12.104 5.063
472 H LYS 60 H LYS 60 4.826 -11.585 5.532
473 HA LYS 60 HA LYS 60 4.560 -13.339 7.729
474 1HB LYS 60 HB1 LYS 60 3.517 -11.341 9.038
475 2HB LYS 60 HB2 LYS 60 5.317 -11.368 9.063
476 1HG LYS 60 HG1 LYS 60 5.491 -9.581 7.423
477 2HG LYS 60 HG2 LYS 60 3.771 -9.614 7.033
478 1HD LYS 60 HD1 LYS 60 4.272 -7.721 8.476
479 2HD LYS 60 HD2 LYS 60 3.094 -8.859 9.233
480 1HE LYS 60 HE1 LYS 60 4.614 -7.881 10.853
481 2HE LYS 60 HE2 LYS 60 4.843 -9.681 10.808
482 1HZ LYS 60 HZ1 LYS 60 6.550 -7.632 9.488
483 2HZ LYS 60 HZ2 LYS 60 6.918 -8.505 10.898
484 3HZ LYS 60 HZ3 LYS 60 6.775 -9.313 9.411
No H/Q in entry = 484
Start of MODEL 3
1 H TRP 1 H TRP 1 12.875 -13.038 3.994
2 HA TRP 1 HA TRP 1 11.647 -12.536 1.546
3 1HB TRP 1 HB1 TRP 1 9.554 -12.295 2.649
4 2HB TRP 1 HB2 TRP 1 10.168 -11.411 4.054
5 HD1 TRP 1 HD1 TRP 1 8.441 -10.553 0.771
6 HE1 TRP 1 HE1 TRP 1 8.316 -8.123 0.590
7 HE3 TRP 1 HE3 TRP 1 11.639 -9.366 4.637
8 HZ2 TRP 1 HZ2 TRP 1 9.679 -5.851 1.711
9 HZ3 TRP 1 HZ3 TRP 1 12.159 -6.998 5.020
10 HH2 TRP 1 HH2 TRP 1 11.189 -5.248 3.559
11 H GLN 2 H GLN 2 12.437 -10.585 0.600
12 HA GLN 2 HA GLN 2 14.085 -8.690 1.980
13 1HB GLN 2 HB1 GLN 2 14.941 -10.292 -0.541
14 2HB GLN 2 HB2 GLN 2 15.682 -8.769 -0.017
15 1HG GLN 2 HG1 GLN 2 15.788 -11.428 1.570
16 2HG GLN 2 HG2 GLN 2 17.104 -10.713 0.576
17 1HE2 GLN 2 HE21 GLN 2 16.373 -9.126 4.296
18 2HE2 GLN 2 HE22 GLN 2 15.136 -10.145 3.571
19 HA PRO 3 HA PRO 3 10.937 -6.920 -0.172
20 1HB PRO 3 HB1 PRO 3 11.225 -4.366 -0.453
21 2HB PRO 3 HB2 PRO 3 11.478 -5.080 1.062
22 1HG PRO 3 HG1 PRO 3 13.966 -4.704 -0.639
23 2HG PRO 3 HG2 PRO 3 13.699 -4.088 1.048
24 1HD PRO 3 HD1 PRO 3 14.903 -6.512 0.487
25 2HD PRO 3 HD2 PRO 3 13.715 -6.370 1.878
26 HA PRO 4 HA PRO 4 11.624 -7.132 -4.727
27 1HB PRO 4 HB1 PRO 4 9.108 -8.099 -5.341
28 2HB PRO 4 HB2 PRO 4 10.118 -9.010 -4.183
29 1HG PRO 4 HG1 PRO 4 8.091 -6.945 -3.459
30 2HG PRO 4 HG2 PRO 4 8.252 -8.718 -2.887
31 1HD PRO 4 HD1 PRO 4 9.141 -6.499 -1.515
32 2HD PRO 4 HD2 PRO 4 9.927 -8.148 -1.462
33 H TRP 5 H TRP 5 8.394 -6.309 -5.441
34 HA TRP 5 HA TRP 5 9.058 -3.648 -6.387
35 1HB TRP 5 HB1 TRP 5 6.889 -3.619 -7.662
36 2HB TRP 5 HB2 TRP 5 8.130 -4.787 -8.113
37 HD1 TRP 5 HD1 TRP 5 7.568 -7.228 -8.248
38 HE1 TRP 5 HE1 TRP 5 5.249 -8.579 -8.130
39 HE3 TRP 5 HE3 TRP 5 4.289 -3.862 -6.220
40 HZ2 TRP 5 HZ2 TRP 5 2.516 -7.930 -8.223
41 HZ3 TRP 5 HZ3 TRP 5 2.040 -4.008 -6.557
42 HH2 TRP 5 HH2 TRP 5 1.053 -6.079 -7.418
43 H TYR 6 H TYR 6 6.098 -4.882 -4.806
44 HA TYR 6 HA TYR 6 4.603 -2.812 -4.241
45 1HB TYR 6 HB1 TYR 6 4.706 -4.689 -1.890
46 2HB TYR 6 HB2 TYR 6 3.366 -4.332 -2.930
47 HD1 TYR 6 HD1 TYR 6 3.043 -5.832 -4.895
48 HD2 TYR 6 HD2 TYR 6 6.257 -6.441 -2.186
49 HE1 TYR 6 HE1 TYR 6 3.265 -8.161 -5.737
50 HE2 TYR 6 HE2 TYR 6 6.343 -8.917 -2.980
51 HH TYR 6 HH TYR 6 4.327 -10.127 -5.500
52 H CYS 7 H CYS 7 7.096 -3.654 -1.963
53 HA CYS 7 HA CYS 7 6.521 -1.911 -0.023
54 1HB CYS 7 HB1 CYS 7 9.382 -2.918 -0.541
55 2HB CYS 7 HB2 CYS 7 8.540 -2.629 1.021
56 H LYS 8 H LYS 8 8.362 -1.157 -2.911
57 HA LYS 8 HA LYS 8 9.206 1.504 -1.922
58 1HB LYS 8 HB1 LYS 8 10.937 -0.296 -2.334
59 2HB LYS 8 HB2 LYS 8 10.262 -0.608 -3.963
60 1HG LYS 8 HG1 LYS 8 10.990 1.681 -4.633
61 2HG LYS 8 HG2 LYS 8 11.781 1.890 -3.013
62 1HD LYS 8 HD1 LYS 8 13.079 -0.272 -3.573
63 2HD LYS 8 HD2 LYS 8 12.290 -0.280 -5.180
64 1HE LYS 8 HE1 LYS 8 14.208 1.924 -4.080
65 2HE LYS 8 HE2 LYS 8 14.656 0.625 -5.256
66 1HZ LYS 8 HZ1 LYS 8 13.075 1.547 -6.806
67 2HZ LYS 8 HZ2 LYS 8 12.647 2.768 -5.706
68 3HZ LYS 8 HZ3 LYS 8 14.224 2.705 -6.334
69 H GLU 9 H GLU 9 6.520 0.298 -3.293
70 HA GLU 9 HA GLU 9 6.656 1.418 -5.957
71 1HB GLU 9 HB1 GLU 9 5.911 -0.769 -5.524
72 2HB GLU 9 HB2 GLU 9 4.548 -0.152 -4.613
73 1HG GLU 9 HG1 GLU 9 3.946 -0.687 -6.949
74 2HG GLU 9 HG2 GLU 9 3.797 1.099 -6.861
75 HA PRO 10 HA PRO 10 4.907 5.182 -4.234
76 1HB PRO 10 HB1 PRO 10 4.389 6.043 -7.125
77 2HB PRO 10 HB2 PRO 10 5.304 6.907 -5.823
78 1HG PRO 10 HG1 PRO 10 6.619 5.639 -7.785
79 2HG PRO 10 HG2 PRO 10 7.174 5.348 -6.090
80 1HD PRO 10 HD1 PRO 10 5.163 3.604 -7.649
81 2HD PRO 10 HD2 PRO 10 6.726 3.045 -6.965
82 H VAL 11 H VAL 11 2.790 5.978 -3.490
83 HA VAL 11 HA VAL 11 0.478 4.576 -4.436
84 HB VAL 11 HB VAL 11 -0.489 6.462 -2.477
85 1HG1 VAL 11 HG11 VAL 11 -1.193 4.233 -3.033
86 2HG1 VAL 11 HG12 VAL 11 0.348 3.560 -2.331
87 3HG1 VAL 11 HG13 VAL 11 -0.825 4.513 -1.306
88 1HG2 VAL 11 HG21 VAL 11 1.753 7.240 -2.250
89 2HG2 VAL 11 HG22 VAL 11 0.997 6.566 -0.779
90 3HG2 VAL 11 HG23 VAL 11 2.269 5.589 -1.607
91 H ARG 12 H ARG 12 -1.530 5.385 -4.959
92 HA ARG 12 HA ARG 12 -1.626 8.024 -6.194
93 1HB ARG 12 HB1 ARG 12 -1.660 5.381 -7.496
94 2HB ARG 12 HB2 ARG 12 -2.885 6.504 -8.169
95 1HG ARG 12 HG1 ARG 12 -0.092 7.641 -7.739
96 2HG ARG 12 HG2 ARG 12 -0.529 6.392 -8.916
97 1HD ARG 12 HD1 ARG 12 -0.798 8.721 -9.947
98 2HD ARG 12 HD2 ARG 12 -2.345 7.754 -9.809
99 HE ARG 12 HE ARG 12 -1.632 9.795 -7.610
100 1HH1 ARG 12 HH11 ARG 12 -3.468 9.169 -10.387
101 2HH1 ARG 12 HH12 ARG 12 -4.805 10.183 -9.902
102 1HH2 ARG 12 HH21 ARG 12 -3.385 11.184 -7.043
103 2HH2 ARG 12 HH22 ARG 12 -4.843 11.108 -7.953
104 H ILE 13 H ILE 13 -3.617 8.865 -5.281
105 HA ILE 13 HA ILE 13 -5.691 7.119 -4.414
106 HB ILE 13 HB ILE 13 -5.107 9.145 -3.289
107 1HG1 ILE 13 HG11 ILE 13 -8.073 8.789 -4.038
108 2HG1 ILE 13 HG12 ILE 13 -7.098 7.648 -3.071
109 1HG2 ILE 13 HG21 ILE 13 -5.197 10.867 -5.159
110 2HG2 ILE 13 HG22 ILE 13 -6.989 10.554 -5.266
111 3HG2 ILE 13 HG23 ILE 13 -6.243 11.206 -3.762
112 1HD1 ILE 13 HD11 ILE 13 -6.750 9.368 -1.315
113 2HD1 ILE 13 HD12 ILE 13 -7.767 10.558 -2.233
114 3HD1 ILE 13 HD13 ILE 13 -8.505 9.038 -1.576
115 H GLY 14 H GLY 14 -5.374 9.115 -7.350
116 1HA GLY 14 HA1 GLY 14 -6.488 8.090 -9.313
117 2HA GLY 14 HA2 GLY 14 -7.968 7.967 -8.295
118 H SER 15 H SER 15 -8.871 9.284 -10.201
119 HA SER 15 HA SER 15 -8.219 12.166 -10.019
120 1HB SER 15 HB1 SER 15 -9.863 10.724 -12.186
121 2HB SER 15 HB2 SER 15 -9.255 12.427 -12.206
122 HG SER 15 HG SER 15 -7.647 10.110 -11.979
123 H CYS 16 H CYS 16 -10.633 10.120 -8.642
124 HA CYS 16 HA CYS 16 -12.672 12.295 -8.805
125 1HB CYS 16 HB1 CYS 16 -13.083 9.299 -8.278
126 2HB CYS 16 HB2 CYS 16 -14.386 10.517 -8.191
127 H LYS 17 H LYS 17 -14.120 12.361 -6.859
128 HA LYS 17 HA LYS 17 -12.603 12.072 -4.335
129 1HB LYS 17 HB1 LYS 17 -14.728 14.116 -5.148
130 2HB LYS 17 HB2 LYS 17 -14.149 13.908 -3.469
131 1HG LYS 17 HG1 LYS 17 -12.401 14.725 -5.845
132 2HG LYS 17 HG2 LYS 17 -13.049 15.796 -4.563
133 1HD LYS 17 HD1 LYS 17 -10.973 13.525 -4.163
134 2HD LYS 17 HD2 LYS 17 -10.665 15.280 -4.268
135 1HE LYS 17 HE1 LYS 17 -10.513 14.793 -1.954
136 2HE LYS 17 HE2 LYS 17 -12.137 15.571 -2.129
137 1HZ LYS 17 HZ1 LYS 17 -11.549 12.650 -1.959
138 2HZ LYS 17 HZ2 LYS 17 -12.179 13.632 -0.725
139 3HZ LYS 17 HZ3 LYS 17 -13.090 13.341 -2.129
140 H LYS 18 H LYS 18 -13.469 9.762 -4.945
141 HA LYS 18 HA LYS 18 -15.678 9.216 -3.102
142 1HB LYS 18 HB1 LYS 18 -16.600 8.869 -5.419
143 2HB LYS 18 HB2 LYS 18 -15.191 7.852 -5.861
144 1HG LYS 18 HG1 LYS 18 -15.859 6.236 -3.986
145 2HG LYS 18 HG2 LYS 18 -17.354 7.163 -3.760
146 1HD LYS 18 HD1 LYS 18 -16.402 5.708 -6.305
147 2HD LYS 18 HD2 LYS 18 -17.740 5.220 -5.207
148 1HE LYS 18 HE1 LYS 18 -19.087 7.218 -5.932
149 2HE LYS 18 HE2 LYS 18 -17.756 7.703 -7.063
150 1HZ LYS 18 HZ1 LYS 18 -19.246 5.139 -7.114
151 2HZ LYS 18 HZ2 LYS 18 -19.455 6.462 -8.160
152 3HZ LYS 18 HZ3 LYS 18 -17.995 5.595 -8.168
153 H GLN 19 H GLN 19 -14.674 7.915 -1.503
154 HA GLN 19 HA GLN 19 -12.051 6.769 -2.174
155 1HB GLN 19 HB1 GLN 19 -12.334 7.953 0.585
156 2HB GLN 19 HB2 GLN 19 -10.995 7.983 -0.612
157 1HG GLN 19 HG1 GLN 19 -11.564 10.198 -0.141
158 2HG GLN 19 HG2 GLN 19 -12.208 9.918 -1.791
159 1HE2 GLN 19 HE21 GLN 19 -14.858 11.759 -0.002
160 2HE2 GLN 19 HE22 GLN 19 -13.361 12.029 -0.875
161 H PHE 20 H PHE 20 -11.770 4.663 -1.640
162 HA PHE 20 HA PHE 20 -13.537 3.352 0.336
163 1HB PHE 20 HB1 PHE 20 -11.828 1.955 -1.818
164 2HB PHE 20 HB2 PHE 20 -13.208 1.350 -0.894
165 HD1 PHE 20 HD1 PHE 20 -15.534 2.366 -1.244
166 HD2 PHE 20 HD2 PHE 20 -12.311 3.098 -4.054
167 HE1 PHE 20 HE1 PHE 20 -17.161 2.914 -3.032
168 HE2 PHE 20 HE2 PHE 20 -13.960 3.616 -5.773
169 HZ PHE 20 HZ PHE 20 -16.361 3.433 -5.311
170 H SER 21 H SER 21 -12.416 2.417 2.220
171 HA SER 21 HA SER 21 -9.760 3.251 2.685
172 1HB SER 21 HB1 SER 21 -11.515 3.118 4.471
173 2HB SER 21 HB2 SER 21 -11.217 1.351 4.544
174 HG SER 21 HG SER 21 -9.944 2.564 6.045
175 H SER 22 H SER 22 -7.857 2.490 2.742
176 HA SER 22 HA SER 22 -7.192 -0.271 2.089
177 1HB SER 22 HB1 SER 22 -5.569 0.867 0.230
178 2HB SER 22 HB2 SER 22 -7.268 0.722 -0.163
179 HG SER 22 HG SER 22 -6.307 3.035 1.206
180 H PHE 23 H PHE 23 -4.659 -0.073 1.711
181 HA PHE 23 HA PHE 23 -3.218 1.571 3.663
182 1HB PHE 23 HB1 PHE 23 -3.300 -1.587 3.707
183 2HB PHE 23 HB2 PHE 23 -1.947 -0.645 4.312
184 HD1 PHE 23 HD1 PHE 23 -2.116 0.746 6.304
185 HD2 PHE 23 HD2 PHE 23 -5.553 -1.373 4.855
186 HE1 PHE 23 HE1 PHE 23 -3.371 1.469 8.279
187 HE2 PHE 23 HE2 PHE 23 -6.790 -0.799 6.901
188 HZ PHE 23 HZ PHE 23 -5.716 0.656 8.627
189 H TYR 24 H TYR 24 -0.895 1.795 3.166
190 HA TYR 24 HA TYR 24 0.121 0.260 0.883
191 1HB TYR 24 HB1 TYR 24 1.132 1.940 -0.357
192 2HB TYR 24 HB2 TYR 24 -0.530 2.480 -0.030
193 HD1 TYR 24 HD1 TYR 24 3.089 2.998 0.896
194 HD2 TYR 24 HD2 TYR 24 -0.894 4.595 1.027
195 HE1 TYR 24 HE1 TYR 24 3.967 5.180 1.938
196 HE2 TYR 24 HE2 TYR 24 -0.046 6.721 1.842
197 HH TYR 24 HH TYR 24 1.768 7.890 2.521
198 H PHE 25 H PHE 25 2.595 -0.073 1.013
199 HA PHE 25 HA PHE 25 3.404 -0.113 3.842
200 1HB PHE 25 HB1 PHE 25 3.393 -2.206 2.277
201 2HB PHE 25 HB2 PHE 25 4.819 -1.519 1.457
202 HD1 PHE 25 HD1 PHE 25 6.935 -1.164 2.884
203 HD2 PHE 25 HD2 PHE 25 3.528 -3.328 4.358
204 HE1 PHE 25 HE1 PHE 25 8.261 -2.155 4.774
205 HE2 PHE 25 HE2 PHE 25 4.741 -4.152 6.264
206 HZ PHE 25 HZ PHE 25 7.185 -3.403 6.489
207 H LYS 26 H LYS 26 4.592 1.806 4.580
208 HA LYS 26 HA LYS 26 5.699 3.487 2.589
209 1HB LYS 26 HB1 LYS 26 4.417 4.333 4.189
210 2HB LYS 26 HB2 LYS 26 5.303 3.529 5.532
211 1HG LYS 26 HG1 LYS 26 5.439 5.674 5.476
212 2HG LYS 26 HG2 LYS 26 7.169 5.153 5.252
213 1HD LYS 26 HD1 LYS 26 5.232 6.603 3.303
214 2HD LYS 26 HD2 LYS 26 6.666 7.285 4.182
215 1HE LYS 26 HE1 LYS 26 8.251 5.980 2.884
216 2HE LYS 26 HE2 LYS 26 6.867 5.096 2.124
217 1HZ LYS 26 HZ1 LYS 26 6.148 7.164 1.136
218 2HZ LYS 26 HZ2 LYS 26 7.424 8.009 1.871
219 3HZ LYS 26 HZ3 LYS 26 7.755 6.827 0.697
220 H TRP 27 H TRP 27 7.623 2.865 1.729
221 HA TRP 27 HA TRP 27 9.366 1.023 2.325
222 1HB TRP 27 HB1 TRP 27 9.083 2.012 0.139
223 2HB TRP 27 HB2 TRP 27 9.431 3.606 0.658
224 HD1 TRP 27 HD1 TRP 27 11.578 4.446 -0.320
225 HE1 TRP 27 HE1 TRP 27 13.902 3.415 -0.945
226 HE3 TRP 27 HE3 TRP 27 10.656 -0.255 1.110
227 HZ2 TRP 27 HZ2 TRP 27 15.121 0.840 -0.854
228 HZ3 TRP 27 HZ3 TRP 27 12.390 -2.030 0.867
229 HH2 TRP 27 HH2 TRP 27 14.603 -1.488 -0.142
230 H THR 28 H THR 28 10.052 4.474 3.102
231 HA THR 28 HA THR 28 12.523 3.838 4.369
232 HB THR 28 HB THR 28 12.391 6.453 4.847
233 HG1 THR 28 HG1 THR 28 11.105 7.344 3.126
234 1HG2 THR 28 HG21 THR 28 12.577 5.204 2.029
235 2HG2 THR 28 HG22 THR 28 13.233 6.811 2.518
236 3HG2 THR 28 HG23 THR 28 13.911 5.308 3.229
237 H ALA 29 H ALA 29 9.220 3.940 5.455
238 HA ALA 29 HA ALA 29 9.956 4.426 8.268
239 1HB ALA 29 HB1 ALA 29 7.816 5.334 7.354
240 2HB ALA 29 HB2 ALA 29 7.248 3.683 6.958
241 3HB ALA 29 HB3 ALA 29 7.491 4.180 8.686
242 H LYS 30 H LYS 30 9.025 1.804 6.103
243 HA LYS 30 HA LYS 30 9.194 -0.369 6.077
244 1HB LYS 30 HB1 LYS 30 10.895 -0.140 8.548
245 2HB LYS 30 HB2 LYS 30 10.458 -1.722 7.855
246 1HG LYS 30 HG1 LYS 30 11.956 0.506 6.369
247 2HG LYS 30 HG2 LYS 30 12.614 -1.021 7.050
248 1HD LYS 30 HD1 LYS 30 10.680 -0.764 4.675
249 2HD LYS 30 HD2 LYS 30 12.398 -1.195 4.611
250 1HE LYS 30 HE1 LYS 30 10.263 -2.997 6.044
251 2HE LYS 30 HE2 LYS 30 10.801 -3.142 4.321
252 1HZ LYS 30 HZ1 LYS 30 13.050 -3.446 5.055
253 2HZ LYS 30 HZ2 LYS 30 12.591 -3.293 6.683
254 3HZ LYS 30 HZ3 LYS 30 12.018 -4.598 5.757
255 H LYS 31 H LYS 31 6.923 1.040 7.150
256 HA LYS 31 HA LYS 31 5.459 -1.226 8.194
257 1HB LYS 31 HB1 LYS 31 4.424 0.122 10.072
258 2HB LYS 31 HB2 LYS 31 6.168 -0.224 10.253
259 1HG LYS 31 HG1 LYS 31 6.752 2.009 9.407
260 2HG LYS 31 HG2 LYS 31 5.005 2.428 9.273
261 1HD LYS 31 HD1 LYS 31 4.759 2.071 11.758
262 2HD LYS 31 HD2 LYS 31 6.494 1.592 11.852
263 1HE LYS 31 HE1 LYS 31 7.205 3.876 11.132
264 2HE LYS 31 HE2 LYS 31 5.469 4.385 11.018
265 1HZ LYS 31 HZ1 LYS 31 5.228 3.882 13.354
266 2HZ LYS 31 HZ2 LYS 31 6.855 3.406 13.461
267 3HZ LYS 31 HZ3 LYS 31 6.463 5.018 13.095
268 H CYS 32 H CYS 32 3.101 -0.822 8.203
269 HA CYS 32 HA CYS 32 2.239 0.195 5.682
270 1HB CYS 32 HB1 CYS 32 0.819 -1.242 8.029
271 2HB CYS 32 HB2 CYS 32 -0.003 -0.898 6.463
272 H LEU 33 H LEU 33 1.202 2.123 5.182
273 HA LEU 33 HA LEU 33 0.067 3.676 7.456
274 1HB LEU 33 HB1 LEU 33 0.763 4.941 4.791
275 2HB LEU 33 HB2 LEU 33 0.356 5.722 6.323
276 HG LEU 33 HG LEU 33 2.983 4.385 5.531
277 1HD1 LEU 33 HD11 LEU 33 2.102 7.225 6.391
278 2HD1 LEU 33 HD12 LEU 33 3.800 6.754 6.082
279 3HD1 LEU 33 HD13 LEU 33 2.590 6.676 4.748
280 1HD2 LEU 33 HD21 LEU 33 2.569 3.773 7.969
281 2HD2 LEU 33 HD22 LEU 33 3.899 4.968 7.771
282 3HD2 LEU 33 HD23 LEU 33 2.281 5.509 8.334
283 HA PRO 34 HA PRO 34 -3.814 3.265 4.803
284 1HB PRO 34 HB1 PRO 34 -5.453 4.810 6.481
285 2HB PRO 34 HB2 PRO 34 -4.915 3.148 6.872
286 1HG PRO 34 HG1 PRO 34 -4.105 5.671 8.244
287 2HG PRO 34 HG2 PRO 34 -3.877 3.944 8.748
288 1HD PRO 34 HD1 PRO 34 -2.058 5.770 7.196
289 2HD PRO 34 HD2 PRO 34 -1.532 4.429 8.185
290 H PHE 35 H PHE 35 -4.608 4.153 3.299
291 HA PHE 35 HA PHE 35 -4.979 6.963 2.983
292 1HB PHE 35 HB1 PHE 35 -3.880 7.443 0.988
293 2HB PHE 35 HB2 PHE 35 -2.644 6.402 1.742
294 HD1 PHE 35 HD1 PHE 35 -3.180 3.705 1.096
295 HD2 PHE 35 HD2 PHE 35 -4.272 7.153 -1.314
296 HE1 PHE 35 HE1 PHE 35 -3.478 2.250 -0.871
297 HE2 PHE 35 HE2 PHE 35 -4.353 5.684 -3.278
298 HZ PHE 35 HZ PHE 35 -4.019 3.282 -3.095
299 H LEU 36 H LEU 36 -6.713 6.997 1.105
300 HA LEU 36 HA LEU 36 -8.275 4.513 1.051
301 1HB LEU 36 HB1 LEU 36 -9.100 7.503 0.926
302 2HB LEU 36 HB2 LEU 36 -10.151 6.128 0.434
303 HG LEU 36 HG LEU 36 -9.779 5.137 2.679
304 1HD1 LEU 36 HD11 LEU 36 -8.987 7.933 3.496
305 2HD1 LEU 36 HD12 LEU 36 -9.610 6.616 4.597
306 3HD1 LEU 36 HD13 LEU 36 -8.078 6.360 3.712
307 1HD2 LEU 36 HD21 LEU 36 -11.963 6.083 1.903
308 2HD2 LEU 36 HD22 LEU 36 -11.722 6.333 3.658
309 3HD2 LEU 36 HD23 LEU 36 -11.469 7.708 2.529
310 H PHE 37 H PHE 37 -8.962 3.945 -0.974
311 HA PHE 37 HA PHE 37 -7.557 5.108 -3.332
312 1HB PHE 37 HB1 PHE 37 -6.962 2.855 -3.365
313 2HB PHE 37 HB2 PHE 37 -8.483 2.379 -2.485
314 HD1 PHE 37 HD1 PHE 37 -7.300 3.356 -6.107
315 HD2 PHE 37 HD2 PHE 37 -10.275 1.475 -3.556
316 HE1 PHE 37 HE1 PHE 37 -8.301 2.342 -8.023
317 HE2 PHE 37 HE2 PHE 37 -11.363 0.564 -5.611
318 HZ PHE 37 HZ PHE 37 -10.331 0.902 -7.804
319 H SER 38 H SER 38 -8.627 6.077 -5.096
320 HA SER 38 HA SER 38 -11.539 6.237 -5.039
321 1HB SER 38 HB1 SER 38 -10.336 8.540 -5.036
322 2HB SER 38 HB2 SER 38 -9.684 8.134 -6.649
323 HG SER 38 HG SER 38 -12.374 8.141 -5.739
324 H GLY 39 H GLY 39 -12.307 4.930 -6.373
325 1HA GLY 39 HA1 GLY 39 -10.943 3.283 -8.236
326 2HA GLY 39 HA2 GLY 39 -12.686 3.343 -7.996
327 H CYS 40 H CYS 40 -11.047 6.211 -8.963
328 HA CYS 40 HA CYS 40 -11.604 5.955 -11.856
329 1HB CYS 40 HB1 CYS 40 -11.342 8.507 -10.135
330 2HB CYS 40 HB2 CYS 40 -11.605 8.480 -11.908
331 H GLY 41 H GLY 41 -9.298 4.707 -11.133
332 1HA GLY 41 HA1 GLY 41 -7.318 5.073 -12.571
333 2HA GLY 41 HA2 GLY 41 -7.212 6.712 -11.945
334 H GLY 42 H GLY 42 -7.097 3.405 -10.251
335 1HA GLY 42 HA1 GLY 42 -4.865 4.450 -8.704
336 2HA GLY 42 HA2 GLY 42 -5.673 2.853 -8.624
337 H ASN 43 H ASN 43 -3.116 2.533 -8.203
338 HA ASN 43 HA ASN 43 -1.961 1.747 -10.833
339 1HB ASN 43 HB1 ASN 43 0.274 2.178 -10.177
340 2HB ASN 43 HB2 ASN 43 -0.778 3.614 -10.045
341 1HD2 ASN 43 HD21 ASN 43 1.344 4.050 -7.272
342 2HD2 ASN 43 HD22 ASN 43 0.812 4.609 -8.848
343 H ALA 44 H ALA 44 -0.165 0.552 -8.204
344 HA ALA 44 HA ALA 44 -1.438 -2.123 -8.466
345 1HB ALA 44 HB1 ALA 44 0.200 -1.861 -10.361
346 2HB ALA 44 HB2 ALA 44 1.525 -1.622 -9.176
347 3HB ALA 44 HB3 ALA 44 0.626 -3.198 -9.269
348 H ASN 45 H ASN 45 0.073 0.212 -6.427
349 HA ASN 45 HA ASN 45 0.919 -1.846 -4.457
350 1HB ASN 45 HB1 ASN 45 2.431 0.159 -5.093
351 2HB ASN 45 HB2 ASN 45 1.296 1.257 -4.322
352 1HD2 ASN 45 HD21 ASN 45 3.478 0.684 -1.461
353 2HD2 ASN 45 HD22 ASN 45 3.095 1.763 -2.769
354 H ARG 46 H ARG 46 -1.866 -2.002 -4.533
355 HA ARG 46 HA ARG 46 -2.522 -0.473 -2.085
356 1HB ARG 46 HB1 ARG 46 -4.777 0.092 -2.699
357 2HB ARG 46 HB2 ARG 46 -3.488 1.016 -3.481
358 1HG ARG 46 HG1 ARG 46 -5.131 -1.238 -4.798
359 2HG ARG 46 HG2 ARG 46 -5.535 0.509 -4.829
360 1HD ARG 46 HD1 ARG 46 -3.209 -0.867 -6.260
361 2HD ARG 46 HD2 ARG 46 -4.565 0.041 -7.008
362 HE ARG 46 HE ARG 46 -2.072 1.165 -5.848
363 1HH1 ARG 46 HH11 ARG 46 -5.454 2.229 -6.058
364 2HH1 ARG 46 HH12 ARG 46 -4.876 3.903 -5.986
365 1HH2 ARG 46 HH21 ARG 46 -1.605 3.236 -6.199
366 2HH2 ARG 46 HH22 ARG 46 -2.949 4.398 -6.089
367 H PHE 47 H PHE 47 -3.276 -1.324 -0.579
368 HA PHE 47 HA PHE 47 -4.065 -4.172 -0.624
369 1HB PHE 47 HB1 PHE 47 -2.816 -2.532 1.752
370 2HB PHE 47 HB2 PHE 47 -2.908 -4.321 1.557
371 HD1 PHE 47 HD1 PHE 47 -1.821 -4.916 -1.106
372 HD2 PHE 47 HD2 PHE 47 -0.604 -1.758 1.547
373 HE1 PHE 47 HE1 PHE 47 0.431 -4.819 -2.159
374 HE2 PHE 47 HE2 PHE 47 1.627 -1.769 0.519
375 HZ PHE 47 HZ PHE 47 2.154 -3.311 -1.285
376 H GLN 48 H GLN 48 -6.251 -4.558 0.193
377 HA GLN 48 HA GLN 48 -7.827 -2.235 0.898
378 1HB GLN 48 HB1 GLN 48 -9.713 -3.378 0.375
379 2HB GLN 48 HB2 GLN 48 -8.518 -4.034 -0.767
380 1HG GLN 48 HG1 GLN 48 -9.742 -5.407 1.759
381 2HG GLN 48 HG2 GLN 48 -10.062 -5.805 0.051
382 1HE2 GLN 48 HE21 GLN 48 -6.979 -7.653 -0.308
383 2HE2 GLN 48 HE22 GLN 48 -8.042 -6.623 -1.227
384 H THR 49 H THR 49 -6.407 -4.887 2.715
385 HA THR 49 HA THR 49 -7.587 -3.862 5.218
386 HB THR 49 HB THR 49 -7.347 -6.196 6.194
387 HG1 THR 49 HG1 THR 49 -7.283 -7.026 3.453
388 1HG2 THR 49 HG21 THR 49 -9.582 -5.335 5.529
389 2HG2 THR 49 HG22 THR 49 -9.339 -5.979 3.863
390 3HG2 THR 49 HG23 THR 49 -9.432 -7.109 5.257
391 H ILE 50 H ILE 50 -6.077 -4.033 7.011
392 HA ILE 50 HA ILE 50 -3.564 -3.103 6.407
393 HB ILE 50 HB ILE 50 -4.904 -2.507 8.301
394 1HG1 ILE 50 HG11 ILE 50 -2.201 -3.553 9.296
395 2HG1 ILE 50 HG12 ILE 50 -2.428 -2.124 8.227
396 1HG2 ILE 50 HG21 ILE 50 -5.816 -4.841 8.852
397 2HG2 ILE 50 HG22 ILE 50 -4.210 -5.237 9.566
398 3HG2 ILE 50 HG23 ILE 50 -5.218 -3.925 10.262
399 1HD1 ILE 50 HD11 ILE 50 -3.887 -1.037 9.902
400 2HD1 ILE 50 HD12 ILE 50 -3.643 -2.408 11.052
401 3HD1 ILE 50 HD13 ILE 50 -2.251 -1.369 10.559
402 H GLY 51 H GLY 51 -4.372 -6.498 6.993
403 1HA GLY 51 HA1 GLY 51 -1.485 -7.107 7.141
404 2HA GLY 51 HA2 GLY 51 -2.792 -8.225 7.422
405 H GLU 52 H GLU 52 -3.470 -6.558 4.522
406 HA GLU 52 HA GLU 52 -2.243 -8.576 2.784
407 1HB GLU 52 HB1 GLU 52 -4.575 -7.787 2.385
408 2HB GLU 52 HB2 GLU 52 -3.987 -6.126 2.152
409 1HG GLU 52 HG1 GLU 52 -4.468 -7.160 -0.057
410 2HG GLU 52 HG2 GLU 52 -2.701 -6.901 0.052
411 H CYS 53 H CYS 53 -1.549 -5.481 4.053
412 HA CYS 53 HA CYS 53 0.378 -4.526 2.178
413 1HB CYS 53 HB1 CYS 53 -0.955 -2.952 3.315
414 2HB CYS 53 HB2 CYS 53 -0.736 -3.567 4.919
415 H ARG 54 H ARG 54 0.529 -6.619 4.982
416 HA ARG 54 HA ARG 54 3.378 -6.692 5.494
417 1HB ARG 54 HB1 ARG 54 0.884 -8.370 6.145
418 2HB ARG 54 HB2 ARG 54 2.504 -8.874 6.694
419 1HG ARG 54 HG1 ARG 54 2.869 -6.864 7.920
420 2HG ARG 54 HG2 ARG 54 1.363 -6.112 7.285
421 1HD ARG 54 HD1 ARG 54 1.265 -6.963 9.520
422 2HD ARG 54 HD2 ARG 54 -0.092 -7.584 8.491
423 HE ARG 54 HE ARG 54 1.841 -9.663 8.298
424 1HH1 ARG 54 HH11 ARG 54 -0.124 -8.332 10.869
425 2HH1 ARG 54 HH12 ARG 54 -0.225 -9.892 11.640
426 1HH2 ARG 54 HH21 ARG 54 1.566 -11.503 9.129
427 2HH2 ARG 54 HH22 ARG 54 0.774 -11.692 10.683
428 H LYS 55 H LYS 55 1.048 -8.907 3.861
429 HA LYS 55 HA LYS 55 2.992 -10.908 3.237
430 1HB LYS 55 HB1 LYS 55 0.676 -11.167 4.103
431 2HB LYS 55 HB2 LYS 55 0.006 -10.814 2.484
432 1HG LYS 55 HG1 LYS 55 1.217 -12.830 1.567
433 2HG LYS 55 HG2 LYS 55 2.011 -13.107 3.167
434 1HD LYS 55 HD1 LYS 55 -1.024 -13.246 2.682
435 2HD LYS 55 HD2 LYS 55 0.102 -14.644 2.752
436 1HE LYS 55 HE1 LYS 55 0.714 -14.077 5.128
437 2HE LYS 55 HE2 LYS 55 -0.480 -12.717 5.118
438 1HZ LYS 55 HZ1 LYS 55 -1.098 -15.577 4.647
439 2HZ LYS 55 HZ2 LYS 55 -1.392 -14.686 6.063
440 3HZ LYS 55 HZ3 LYS 55 -2.209 -14.293 4.627
441 H LYS 56 H LYS 56 4.088 -9.080 2.073
442 HA LYS 56 HA LYS 56 4.471 -9.455 -0.624
443 1HB LYS 56 HB1 LYS 56 2.468 -7.269 0.011
444 2HB LYS 56 HB2 LYS 56 3.761 -6.802 -1.130
445 1HG LYS 56 HG1 LYS 56 3.342 -8.697 -2.571
446 2HG LYS 56 HG2 LYS 56 2.022 -9.266 -1.607
447 1HD LYS 56 HD1 LYS 56 1.944 -6.468 -3.067
448 2HD LYS 56 HD2 LYS 56 1.413 -8.051 -3.693
449 1HE LYS 56 HE1 LYS 56 -0.103 -8.575 -1.766
450 2HE LYS 56 HE2 LYS 56 0.202 -6.953 -1.061
451 1HZ LYS 56 HZ1 LYS 56 -0.964 -7.525 -3.739
452 2HZ LYS 56 HZ2 LYS 56 -1.808 -7.047 -2.345
453 3HZ LYS 56 HZ3 LYS 56 -0.702 -5.985 -3.074
454 H CYS 57 H CYS 57 4.647 -7.290 2.310
455 HA CYS 57 HA CYS 57 7.448 -6.497 1.502
456 1HB CYS 57 HB1 CYS 57 5.058 -4.997 2.745
457 2HB CYS 57 HB2 CYS 57 6.710 -4.309 2.785
458 H LEU 58 H LEU 58 6.178 -8.427 4.101
459 HA LEU 58 HA LEU 58 8.783 -7.688 5.321
460 1HB LEU 58 HB1 LEU 58 6.189 -7.443 6.821
461 2HB LEU 58 HB2 LEU 58 7.659 -7.965 7.717
462 HG LEU 58 HG LEU 58 7.408 -5.454 6.127
463 1HD1 LEU 58 HD11 LEU 58 6.100 -5.428 8.225
464 2HD1 LEU 58 HD12 LEU 58 7.579 -5.901 9.179
465 3HD1 LEU 58 HD13 LEU 58 7.551 -4.322 8.325
466 1HD2 LEU 58 HD21 LEU 58 9.761 -6.674 7.691
467 2HD2 LEU 58 HD22 LEU 58 9.767 -5.961 6.034
468 3HD2 LEU 58 HD23 LEU 58 9.630 -4.889 7.461
469 H GLY 59 H GLY 59 6.852 -10.151 4.267
470 1HA GLY 59 HA1 GLY 59 6.932 -12.352 4.279
471 2HA GLY 59 HA2 GLY 59 8.457 -12.288 5.245
472 H LYS 60 H LYS 60 4.964 -11.357 5.845
473 HA LYS 60 HA LYS 60 4.559 -13.159 7.965
474 1HB LYS 60 HB1 LYS 60 4.023 -11.149 9.504
475 2HB LYS 60 HB2 LYS 60 5.791 -11.382 9.269
476 1HG LYS 60 HG1 LYS 60 5.923 -9.529 7.677
477 2HG LYS 60 HG2 LYS 60 4.173 -9.414 7.553
478 1HD LYS 60 HD1 LYS 60 4.615 -7.605 8.883
479 2HD LYS 60 HD2 LYS 60 4.007 -8.849 10.037
480 1HE LYS 60 HE1 LYS 60 6.575 -9.325 10.527
481 2HE LYS 60 HE2 LYS 60 6.845 -7.792 9.639
482 1HZ LYS 60 HZ1 LYS 60 5.409 -6.658 11.185
483 2HZ LYS 60 HZ2 LYS 60 5.124 -8.098 12.040
484 3HZ LYS 60 HZ3 LYS 60 6.685 -7.430 11.996
No H/Q in entry = 484
Start of MODEL 4
1 H TRP 1 H TRP 1 12.960 -12.787 3.808
2 HA TRP 1 HA TRP 1 11.644 -12.384 1.365
3 1HB TRP 1 HB1 TRP 1 9.625 -12.127 2.563
4 2HB TRP 1 HB2 TRP 1 10.307 -11.201 3.907
5 HD1 TRP 1 HD1 TRP 1 8.547 -10.496 0.563
6 HE1 TRP 1 HE1 TRP 1 8.317 -8.099 0.318
7 HE3 TRP 1 HE3 TRP 1 11.711 -9.075 4.361
8 HZ2 TRP 1 HZ2 TRP 1 9.551 -5.707 1.404
9 HZ3 TRP 1 HZ3 TRP 1 12.120 -6.678 4.697
10 HH2 TRP 1 HH2 TRP 1 11.052 -5.001 3.210
11 H GLN 2 H GLN 2 12.253 -10.395 0.384
12 HA GLN 2 HA GLN 2 14.134 -8.576 1.598
13 1HB GLN 2 HB1 GLN 2 14.640 -10.281 -0.946
14 2HB GLN 2 HB2 GLN 2 15.555 -8.775 -0.627
15 1HG GLN 2 HG1 GLN 2 15.658 -11.362 1.068
16 2HG GLN 2 HG2 GLN 2 16.901 -10.734 -0.066
17 1HE2 GLN 2 HE21 GLN 2 16.659 -9.138 3.691
18 2HE2 GLN 2 HE22 GLN 2 15.290 -10.071 3.097
19 HA PRO 3 HA PRO 3 10.879 -6.558 -0.330
20 1HB PRO 3 HB1 PRO 3 11.750 -3.878 -0.898
21 2HB PRO 3 HB2 PRO 3 11.204 -4.600 0.657
22 1HG PRO 3 HG1 PRO 3 14.053 -4.394 -0.492
23 2HG PRO 3 HG2 PRO 3 13.543 -3.921 1.178
24 1HD PRO 3 HD1 PRO 3 14.787 -6.304 0.589
25 2HD PRO 3 HD2 PRO 3 13.425 -6.271 1.806
26 HA PRO 4 HA PRO 4 11.288 -6.761 -4.922
27 1HB PRO 4 HB1 PRO 4 8.807 -7.924 -5.385
28 2HB PRO 4 HB2 PRO 4 9.926 -8.771 -4.300
29 1HG PRO 4 HG1 PRO 4 7.862 -6.821 -3.360
30 2HG PRO 4 HG2 PRO 4 8.085 -8.610 -2.898
31 1HD PRO 4 HD1 PRO 4 9.052 -6.522 -1.452
32 2HD PRO 4 HD2 PRO 4 9.945 -8.097 -1.645
33 H TRP 5 H TRP 5 8.123 -6.298 -5.671
34 HA TRP 5 HA TRP 5 8.426 -3.586 -6.527
35 1HB TRP 5 HB1 TRP 5 6.168 -3.610 -7.574
36 2HB TRP 5 HB2 TRP 5 7.389 -4.732 -8.159
37 HD1 TRP 5 HD1 TRP 5 6.932 -7.236 -8.158
38 HE1 TRP 5 HE1 TRP 5 4.640 -8.578 -7.918
39 HE3 TRP 5 HE3 TRP 5 3.634 -3.975 -5.967
40 HZ2 TRP 5 HZ2 TRP 5 1.911 -7.958 -8.150
41 HZ3 TRP 5 HZ3 TRP 5 1.303 -4.144 -6.402
42 HH2 TRP 5 HH2 TRP 5 0.403 -6.151 -7.468
43 H TYR 6 H TYR 6 5.612 -4.873 -4.710
44 HA TYR 6 HA TYR 6 4.191 -2.844 -3.961
45 1HB TYR 6 HB1 TYR 6 4.665 -4.760 -1.628
46 2HB TYR 6 HB2 TYR 6 3.172 -4.383 -2.553
47 HD1 TYR 6 HD1 TYR 6 2.732 -5.747 -4.625
48 HD2 TYR 6 HD2 TYR 6 6.046 -6.509 -2.060
49 HE1 TYR 6 HE1 TYR 6 2.963 -8.009 -5.626
50 HE2 TYR 6 HE2 TYR 6 6.164 -8.909 -3.029
51 HH TYR 6 HH TYR 6 5.204 -10.380 -4.425
52 H CYS 7 H CYS 7 6.913 -3.746 -1.966
53 HA CYS 7 HA CYS 7 6.644 -1.878 -0.003
54 1HB CYS 7 HB1 CYS 7 9.315 -3.263 -0.501
55 2HB CYS 7 HB2 CYS 7 8.449 -2.929 1.013
56 H LYS 8 H LYS 8 7.764 -1.375 -3.093
57 HA LYS 8 HA LYS 8 9.260 1.120 -2.485
58 1HB LYS 8 HB1 LYS 8 9.933 -1.141 -4.542
59 2HB LYS 8 HB2 LYS 8 10.585 0.466 -4.704
60 1HG LYS 8 HG1 LYS 8 11.849 0.164 -2.429
61 2HG LYS 8 HG2 LYS 8 11.090 -1.418 -2.233
62 1HD LYS 8 HD1 LYS 8 12.135 -2.412 -4.099
63 2HD LYS 8 HD2 LYS 8 12.528 -0.825 -4.851
64 1HE LYS 8 HE1 LYS 8 14.572 -1.901 -4.104
65 2HE LYS 8 HE2 LYS 8 14.308 -0.416 -3.110
66 1HZ LYS 8 HZ1 LYS 8 13.663 -3.212 -2.332
67 2HZ LYS 8 HZ2 LYS 8 14.990 -2.290 -1.807
68 3HZ LYS 8 HZ3 LYS 8 13.413 -1.828 -1.381
69 H GLU 9 H GLU 9 6.304 0.010 -3.446
70 HA GLU 9 HA GLU 9 6.361 0.912 -6.185
71 1HB GLU 9 HB1 GLU 9 5.538 -1.211 -5.624
72 2HB GLU 9 HB2 GLU 9 4.232 -0.514 -4.691
73 1HG GLU 9 HG1 GLU 9 3.514 -1.155 -6.958
74 2HG GLU 9 HG2 GLU 9 3.498 0.619 -7.034
75 HA PRO 10 HA PRO 10 4.817 4.895 -5.186
76 1HB PRO 10 HB1 PRO 10 3.705 4.934 -8.053
77 2HB PRO 10 HB2 PRO 10 4.668 6.208 -7.195
78 1HG PRO 10 HG1 PRO 10 5.888 4.540 -8.917
79 2HG PRO 10 HG2 PRO 10 6.665 4.757 -7.296
80 1HD PRO 10 HD1 PRO 10 4.696 2.553 -8.135
81 2HD PRO 10 HD2 PRO 10 6.354 2.326 -7.453
82 H VAL 11 H VAL 11 3.138 5.418 -3.867
83 HA VAL 11 HA VAL 11 0.532 4.358 -3.995
84 HB VAL 11 HB VAL 11 1.807 4.818 -2.003
85 1HG1 VAL 11 HG11 VAL 11 2.935 7.005 -2.655
86 2HG1 VAL 11 HG12 VAL 11 1.343 7.837 -2.502
87 3HG1 VAL 11 HG13 VAL 11 2.104 7.072 -1.067
88 1HG2 VAL 11 HG21 VAL 11 -0.596 4.536 -1.800
89 2HG2 VAL 11 HG22 VAL 11 -0.044 5.794 -0.645
90 3HG2 VAL 11 HG23 VAL 11 -0.906 6.276 -2.144
91 H ARG 12 H ARG 12 -1.483 5.229 -4.670
92 HA ARG 12 HA ARG 12 -1.510 7.799 -6.160
93 1HB ARG 12 HB1 ARG 12 -2.009 5.134 -7.321
94 2HB ARG 12 HB2 ARG 12 -2.743 6.632 -7.998
95 1HG ARG 12 HG1 ARG 12 -0.311 7.648 -7.891
96 2HG ARG 12 HG2 ARG 12 0.174 5.929 -7.653
97 1HD ARG 12 HD1 ARG 12 0.338 6.531 -9.936
98 2HD ARG 12 HD2 ARG 12 -1.061 5.348 -9.625
99 HE ARG 12 HE ARG 12 -2.252 7.893 -9.577
100 1HH1 ARG 12 HH11 ARG 12 -0.822 5.767 -11.937
101 2HH1 ARG 12 HH12 ARG 12 -1.504 6.639 -13.284
102 1HH2 ARG 12 HH21 ARG 12 -3.041 8.978 -11.269
103 2HH2 ARG 12 HH22 ARG 12 -2.948 8.335 -12.875
104 H ILE 13 H ILE 13 -3.413 8.849 -5.470
105 HA ILE 13 HA ILE 13 -5.783 7.308 -4.691
106 HB ILE 13 HB ILE 13 -4.813 8.768 -3.018
107 1HG1 ILE 13 HG11 ILE 13 -7.722 9.211 -3.923
108 2HG1 ILE 13 HG12 ILE 13 -6.975 7.844 -3.032
109 1HG2 ILE 13 HG21 ILE 13 -4.259 10.881 -4.340
110 2HG2 ILE 13 HG22 ILE 13 -6.067 11.076 -4.585
111 3HG2 ILE 13 HG23 ILE 13 -5.326 11.086 -2.950
112 1HD1 ILE 13 HD11 ILE 13 -6.501 9.360 -1.090
113 2HD1 ILE 13 HD12 ILE 13 -7.274 10.745 -1.959
114 3HD1 ILE 13 HD13 ILE 13 -8.271 9.330 -1.447
115 H GLY 14 H GLY 14 -4.663 9.755 -6.880
116 1HA GLY 14 HA1 GLY 14 -5.406 10.514 -8.933
117 2HA GLY 14 HA2 GLY 14 -6.562 9.171 -8.913
118 H SER 15 H SER 15 -6.909 11.825 -10.113
119 HA SER 15 HA SER 15 -8.792 13.239 -8.385
120 1HB SER 15 HB1 SER 15 -8.701 14.984 -10.198
121 2HB SER 15 HB2 SER 15 -7.097 14.558 -9.522
122 HG SER 15 HG SER 15 -8.246 13.551 -11.912
123 H CYS 16 H CYS 16 -10.285 11.316 -8.445
124 HA CYS 16 HA CYS 16 -12.075 11.470 -10.817
125 1HB CYS 16 HB1 CYS 16 -10.584 9.454 -10.759
126 2HB CYS 16 HB2 CYS 16 -11.401 8.789 -9.403
127 H LYS 17 H LYS 17 -13.429 9.210 -8.971
128 HA LYS 17 HA LYS 17 -15.611 10.902 -8.304
129 1HB LYS 17 HB1 LYS 17 -15.235 7.891 -8.089
130 2HB LYS 17 HB2 LYS 17 -16.753 8.790 -7.715
131 1HG LYS 17 HG1 LYS 17 -16.209 9.880 -10.129
132 2HG LYS 17 HG2 LYS 17 -15.570 8.243 -10.404
133 1HD LYS 17 HD1 LYS 17 -18.313 9.092 -9.254
134 2HD LYS 17 HD2 LYS 17 -18.020 8.651 -10.970
135 1HE LYS 17 HE1 LYS 17 -19.192 6.802 -9.920
136 2HE LYS 17 HE2 LYS 17 -17.522 6.224 -10.261
137 1HZ LYS 17 HZ1 LYS 17 -18.584 7.174 -7.648
138 2HZ LYS 17 HZ2 LYS 17 -18.289 5.567 -8.110
139 3HZ LYS 17 HZ3 LYS 17 -16.995 6.653 -7.939
140 H LYS 18 H LYS 18 -15.147 8.268 -6.028
141 HA LYS 18 HA LYS 18 -15.267 10.155 -3.734
142 1HB LYS 18 HB1 LYS 18 -17.502 9.091 -4.076
143 2HB LYS 18 HB2 LYS 18 -16.748 7.501 -4.308
144 1HG LYS 18 HG1 LYS 18 -17.709 7.403 -2.132
145 2HG LYS 18 HG2 LYS 18 -15.998 7.465 -1.868
146 1HD LYS 18 HD1 LYS 18 -17.137 8.911 -0.250
147 2HD LYS 18 HD2 LYS 18 -15.986 9.838 -1.257
148 1HE LYS 18 HE1 LYS 18 -17.866 10.822 -2.581
149 2HE LYS 18 HE2 LYS 18 -19.070 9.860 -1.631
150 1HZ LYS 18 HZ1 LYS 18 -17.175 11.860 -0.539
151 2HZ LYS 18 HZ2 LYS 18 -18.839 12.067 -0.809
152 3HZ LYS 18 HZ3 LYS 18 -18.299 10.951 0.352
153 H GLN 19 H GLN 19 -13.802 9.633 -2.025
154 HA GLN 19 HA GLN 19 -12.048 7.403 -2.614
155 1HB GLN 19 HB1 GLN 19 -11.140 9.346 -0.481
156 2HB GLN 19 HB2 GLN 19 -10.321 8.206 -1.552
157 1HG GLN 19 HG1 GLN 19 -9.841 10.431 -2.298
158 2HG GLN 19 HG2 GLN 19 -10.860 9.595 -3.522
159 1HE2 GLN 19 HE21 GLN 19 -12.568 12.722 -3.494
160 2HE2 GLN 19 HE22 GLN 19 -11.404 11.732 -4.360
161 H PHE 20 H PHE 20 -12.115 5.533 -1.757
162 HA PHE 20 HA PHE 20 -13.682 4.970 0.687
163 1HB PHE 20 HB1 PHE 20 -12.811 3.008 -1.547
164 2HB PHE 20 HB2 PHE 20 -14.049 2.708 -0.285
165 HD1 PHE 20 HD1 PHE 20 -16.232 4.349 -0.423
166 HD2 PHE 20 HD2 PHE 20 -13.425 3.803 -3.685
167 HE1 PHE 20 HE1 PHE 20 -17.964 4.928 -2.049
168 HE2 PHE 20 HE2 PHE 20 -15.159 4.459 -5.266
169 HZ PHE 20 HZ PHE 20 -17.450 4.994 -4.467
170 H SER 21 H SER 21 -12.560 3.483 2.268
171 HA SER 21 HA SER 21 -9.810 4.170 2.514
172 1HB SER 21 HB1 SER 21 -11.462 4.011 4.443
173 2HB SER 21 HB2 SER 21 -11.248 2.232 4.394
174 HG SER 21 HG SER 21 -9.075 4.101 4.618
175 H SER 22 H SER 22 -7.920 3.100 2.666
176 HA SER 22 HA SER 22 -7.631 0.300 1.818
177 1HB SER 22 HB1 SER 22 -5.834 1.077 0.063
178 2HB SER 22 HB2 SER 22 -7.443 1.625 -0.339
179 HG SER 22 HG SER 22 -5.603 3.188 1.132
180 H PHE 23 H PHE 23 -5.089 0.052 1.544
181 HA PHE 23 HA PHE 23 -3.428 1.262 3.617
182 1HB PHE 23 HB1 PHE 23 -4.019 -1.712 3.383
183 2HB PHE 23 HB2 PHE 23 -2.448 -1.266 4.025
184 HD1 PHE 23 HD1 PHE 23 -6.112 -1.163 4.596
185 HD2 PHE 23 HD2 PHE 23 -2.244 -0.319 6.289
186 HE1 PHE 23 HE1 PHE 23 -7.143 -0.842 6.796
187 HE2 PHE 23 HE2 PHE 23 -3.252 -0.059 8.496
188 HZ PHE 23 HZ PHE 23 -5.718 -0.299 8.783
189 H TYR 24 H TYR 24 -1.217 1.110 3.323
190 HA TYR 24 HA TYR 24 -0.103 -0.208 1.036
191 1HB TYR 24 HB1 TYR 24 0.897 1.452 -0.263
192 2HB TYR 24 HB2 TYR 24 -0.774 2.001 -0.042
193 HD1 TYR 24 HD1 TYR 24 -1.210 3.869 1.819
194 HD2 TYR 24 HD2 TYR 24 2.725 2.796 0.359
195 HE1 TYR 24 HE1 TYR 24 -0.344 5.966 2.667
196 HE2 TYR 24 HE2 TYR 24 3.610 4.949 1.303
197 HH TYR 24 HH TYR 24 1.461 7.290 2.903
198 H PHE 25 H PHE 25 2.416 -0.173 1.092
199 HA PHE 25 HA PHE 25 3.302 -0.153 3.911
200 1HB PHE 25 HB1 PHE 25 3.411 -2.314 2.628
201 2HB PHE 25 HB2 PHE 25 4.659 -1.641 1.587
202 HD1 PHE 25 HD1 PHE 25 6.971 -0.838 2.769
203 HD2 PHE 25 HD2 PHE 25 3.936 -3.407 4.613
204 HE1 PHE 25 HE1 PHE 25 8.522 -1.733 4.524
205 HE2 PHE 25 HE2 PHE 25 5.363 -4.103 6.264
206 HZ PHE 25 HZ PHE 25 7.789 -3.263 6.241
207 H LYS 26 H LYS 26 4.705 1.407 4.642
208 HA LYS 26 HA LYS 26 5.600 3.397 2.825
209 1HB LYS 26 HB1 LYS 26 4.642 3.753 5.156
210 2HB LYS 26 HB2 LYS 26 6.369 3.737 5.618
211 1HG LYS 26 HG1 LYS 26 6.791 5.204 3.491
212 2HG LYS 26 HG2 LYS 26 4.971 5.187 3.392
213 1HD LYS 26 HD1 LYS 26 4.945 6.948 4.680
214 2HD LYS 26 HD2 LYS 26 5.497 5.823 5.988
215 1HE LYS 26 HE1 LYS 26 7.015 7.789 6.060
216 2HE LYS 26 HE2 LYS 26 7.962 6.434 5.321
217 1HZ LYS 26 HZ1 LYS 26 6.526 8.592 3.864
218 2HZ LYS 26 HZ2 LYS 26 8.202 8.476 4.114
219 3HZ LYS 26 HZ3 LYS 26 7.404 7.321 3.157
220 H TRP 27 H TRP 27 7.376 2.687 1.656
221 HA TRP 27 HA TRP 27 9.404 0.938 2.140
222 1HB TRP 27 HB1 TRP 27 8.792 1.876 -0.057
223 2HB TRP 27 HB2 TRP 27 8.935 3.457 0.591
224 HD1 TRP 27 HD1 TRP 27 10.901 4.640 -0.656
225 HE1 TRP 27 HE1 TRP 27 13.377 4.075 -1.210
226 HE3 TRP 27 HE3 TRP 27 10.946 -0.184 0.941
227 HZ2 TRP 27 HZ2 TRP 27 15.145 1.872 -0.841
228 HZ3 TRP 27 HZ3 TRP 27 13.044 -1.466 0.902
229 HH2 TRP 27 HH2 TRP 27 15.133 -0.456 0.042
230 H THR 28 H THR 28 9.529 4.491 2.936
231 HA THR 28 HA THR 28 12.182 4.216 4.041
232 HB THR 28 HB THR 28 11.896 6.767 4.477
233 HG1 THR 28 HG1 THR 28 10.425 7.631 2.942
234 1HG2 THR 28 HG21 THR 28 11.935 5.553 1.640
235 2HG2 THR 28 HG22 THR 28 12.526 7.191 2.106
236 3HG2 THR 28 HG23 THR 28 13.352 5.728 2.738
237 H ALA 29 H ALA 29 9.059 3.636 5.352
238 HA ALA 29 HA ALA 29 10.012 4.411 8.078
239 1HB ALA 29 HB1 ALA 29 7.648 5.097 7.525
240 2HB ALA 29 HB2 ALA 29 7.204 3.358 7.365
241 3HB ALA 29 HB3 ALA 29 7.781 4.017 8.929
242 H LYS 30 H LYS 30 9.071 1.604 6.088
243 HA LYS 30 HA LYS 30 9.577 -0.526 6.202
244 1HB LYS 30 HB1 LYS 30 11.706 0.088 7.471
245 2HB LYS 30 HB2 LYS 30 10.863 -0.522 8.922
246 1HG LYS 30 HG1 LYS 30 12.123 -2.316 8.046
247 2HG LYS 30 HG2 LYS 30 10.475 -2.745 7.512
248 1HD LYS 30 HD1 LYS 30 11.055 -1.797 5.206
249 2HD LYS 30 HD2 LYS 30 12.674 -1.355 5.836
250 1HE LYS 30 HE1 LYS 30 13.162 -3.792 6.292
251 2HE LYS 30 HE2 LYS 30 11.570 -4.224 5.541
252 1HZ LYS 30 HZ1 LYS 30 13.802 -2.747 4.227
253 2HZ LYS 30 HZ2 LYS 30 13.387 -4.377 3.986
254 3HZ LYS 30 HZ3 LYS 30 12.314 -3.149 3.514
255 H LYS 31 H LYS 31 7.180 0.857 7.194
256 HA LYS 31 HA LYS 31 5.808 -1.354 8.437
257 1HB LYS 31 HB1 LYS 31 5.921 1.563 9.528
258 2HB LYS 31 HB2 LYS 31 4.659 0.419 10.081
259 1HG LYS 31 HG1 LYS 31 6.341 -1.068 11.057
260 2HG LYS 31 HG2 LYS 31 7.662 0.047 10.588
261 1HD LYS 31 HD1 LYS 31 5.285 0.854 12.376
262 2HD LYS 31 HD2 LYS 31 6.873 0.262 12.971
263 1HE LYS 31 HE1 LYS 31 8.045 2.201 11.897
264 2HE LYS 31 HE2 LYS 31 6.456 2.845 11.315
265 1HZ LYS 31 HZ1 LYS 31 7.217 2.372 14.148
266 2HZ LYS 31 HZ2 LYS 31 7.141 3.869 13.350
267 3HZ LYS 31 HZ3 LYS 31 5.724 2.966 13.596
268 H CYS 32 H CYS 32 3.398 -0.918 8.449
269 HA CYS 32 HA CYS 32 2.550 -0.034 5.834
270 1HB CYS 32 HB1 CYS 32 1.107 -1.459 8.216
271 2HB CYS 32 HB2 CYS 32 0.380 -1.256 6.563
272 H LEU 33 H LEU 33 0.922 1.514 5.422
273 HA LEU 33 HA LEU 33 -0.108 3.128 7.680
274 1HB LEU 33 HB1 LEU 33 0.683 4.220 4.889
275 2HB LEU 33 HB2 LEU 33 -0.028 5.154 6.239
276 HG LEU 33 HG LEU 33 2.818 4.017 6.076
277 1HD1 LEU 33 HD11 LEU 33 1.579 6.840 6.179
278 2HD1 LEU 33 HD12 LEU 33 3.331 6.478 6.342
279 3HD1 LEU 33 HD13 LEU 33 2.469 6.050 4.816
280 1HD2 LEU 33 HD21 LEU 33 1.357 5.517 8.390
281 2HD2 LEU 33 HD22 LEU 33 1.979 3.835 8.512
282 3HD2 LEU 33 HD23 LEU 33 3.120 5.200 8.319
283 HA PRO 34 HA PRO 34 -3.859 2.559 4.923
284 1HB PRO 34 HB1 PRO 34 -5.800 3.468 6.474
285 2HB PRO 34 HB2 PRO 34 -4.747 2.303 7.156
286 1HG PRO 34 HG1 PRO 34 -4.342 5.279 7.680
287 2HG PRO 34 HG2 PRO 34 -4.478 3.949 8.901
288 1HD PRO 34 HD1 PRO 34 -2.029 4.933 7.674
289 2HD PRO 34 HD2 PRO 34 -2.210 3.326 8.530
290 H PHE 35 H PHE 35 -5.188 3.716 3.724
291 HA PHE 35 HA PHE 35 -4.974 6.573 3.547
292 1HB PHE 35 HB1 PHE 35 -3.969 7.073 1.497
293 2HB PHE 35 HB2 PHE 35 -2.878 5.926 2.268
294 HD1 PHE 35 HD1 PHE 35 -3.430 3.316 1.521
295 HD2 PHE 35 HD2 PHE 35 -4.357 6.838 -0.887
296 HE1 PHE 35 HE1 PHE 35 -3.296 1.983 -0.549
297 HE2 PHE 35 HE2 PHE 35 -4.198 5.461 -2.871
298 HZ PHE 35 HZ PHE 35 -3.713 3.051 -2.740
299 H LEU 36 H LEU 36 -6.107 6.709 0.846
300 HA LEU 36 HA LEU 36 -8.694 5.434 1.078
301 1HB LEU 36 HB1 LEU 36 -7.958 8.454 0.923
302 2HB LEU 36 HB2 LEU 36 -9.576 7.864 0.428
303 HG LEU 36 HG LEU 36 -8.589 7.365 3.248
304 1HD1 LEU 36 HD11 LEU 36 -8.348 9.812 2.824
305 2HD1 LEU 36 HD12 LEU 36 -10.056 9.879 2.247
306 3HD1 LEU 36 HD13 LEU 36 -9.694 9.443 3.957
307 1HD2 LEU 36 HD21 LEU 36 -11.350 7.625 1.873
308 2HD2 LEU 36 HD22 LEU 36 -10.563 6.114 2.468
309 3HD2 LEU 36 HD23 LEU 36 -11.085 7.366 3.645
310 H PHE 37 H PHE 37 -9.413 5.086 -1.005
311 HA PHE 37 HA PHE 37 -7.684 5.764 -3.364
312 1HB PHE 37 HB1 PHE 37 -7.329 3.452 -2.902
313 2HB PHE 37 HB2 PHE 37 -9.042 3.259 -2.321
314 HD1 PHE 37 HD1 PHE 37 -7.205 3.941 -5.718
315 HD2 PHE 37 HD2 PHE 37 -10.557 2.188 -3.586
316 HE1 PHE 37 HE1 PHE 37 -7.843 2.708 -7.695
317 HE2 PHE 37 HE2 PHE 37 -11.272 1.090 -5.670
318 HZ PHE 37 HZ PHE 37 -9.832 1.253 -7.716
319 H SER 38 H SER 38 -8.740 7.022 -5.018
320 HA SER 38 HA SER 38 -11.479 7.799 -4.720
321 1HB SER 38 HB1 SER 38 -9.690 8.376 -7.172
322 2HB SER 38 HB2 SER 38 -11.254 9.174 -6.772
323 HG SER 38 HG SER 38 -8.979 10.098 -6.201
324 H GLY 39 H GLY 39 -10.521 4.879 -5.951
325 1HA GLY 39 HA1 GLY 39 -11.667 3.309 -6.903
326 2HA GLY 39 HA2 GLY 39 -13.034 4.279 -7.204
327 H CYS 40 H CYS 40 -11.473 6.108 -8.991
328 HA CYS 40 HA CYS 40 -10.688 4.306 -11.236
329 1HB CYS 40 HB1 CYS 40 -11.736 6.245 -12.745
330 2HB CYS 40 HB2 CYS 40 -12.699 4.934 -12.042
331 H GLY 41 H GLY 41 -9.031 5.258 -9.243
332 1HA GLY 41 HA1 GLY 41 -7.162 6.956 -10.816
333 2HA GLY 41 HA2 GLY 41 -7.712 7.461 -9.181
334 H GLY 42 H GLY 42 -6.991 4.025 -9.796
335 1HA GLY 42 HA1 GLY 42 -4.580 4.313 -8.082
336 2HA GLY 42 HA2 GLY 42 -5.600 2.872 -8.349
337 H ASN 43 H ASN 43 -3.040 2.388 -8.320
338 HA ASN 43 HA ASN 43 -2.465 1.785 -11.151
339 1HB ASN 43 HB1 ASN 43 -0.038 2.096 -10.893
340 2HB ASN 43 HB2 ASN 43 -0.956 3.608 -10.695
341 1HD2 ASN 43 HD21 ASN 43 1.593 3.403 -7.916
342 2HD2 ASN 43 HD22 ASN 43 1.678 3.517 -9.679
343 H ALA 44 H ALA 44 -0.483 0.812 -8.431
344 HA ALA 44 HA ALA 44 -1.335 -2.014 -8.828
345 1HB ALA 44 HB1 ALA 44 0.578 -1.437 -10.360
346 2HB ALA 44 HB2 ALA 44 1.605 -1.061 -8.937
347 3HB ALA 44 HB3 ALA 44 0.987 -2.745 -9.206
348 H ASN 45 H ASN 45 0.170 0.380 -6.525
349 HA ASN 45 HA ASN 45 0.594 -1.794 -4.595
350 1HB ASN 45 HB1 ASN 45 2.174 0.251 -5.040
351 2HB ASN 45 HB2 ASN 45 1.073 1.246 -4.113
352 1HD2 ASN 45 HD21 ASN 45 3.422 0.220 -1.548
353 2HD2 ASN 45 HD22 ASN 45 2.899 1.506 -2.586
354 H ARG 46 H ARG 46 -1.966 -2.180 -4.540
355 HA ARG 46 HA ARG 46 -2.816 -0.651 -2.180
356 1HB ARG 46 HB1 ARG 46 -5.132 -0.330 -2.821
357 2HB ARG 46 HB2 ARG 46 -3.929 0.735 -3.568
358 1HG ARG 46 HG1 ARG 46 -5.219 -1.656 -4.947
359 2HG ARG 46 HG2 ARG 46 -5.834 0.025 -4.977
360 1HD ARG 46 HD1 ARG 46 -3.415 -1.131 -6.430
361 2HD ARG 46 HD2 ARG 46 -4.777 -0.203 -7.134
362 HE ARG 46 HE ARG 46 -2.269 0.849 -5.991
363 1HH1 ARG 46 HH11 ARG 46 -5.603 1.982 -5.773
364 2HH1 ARG 46 HH12 ARG 46 -4.964 3.649 -5.706
365 1HH2 ARG 46 HH21 ARG 46 -1.811 2.953 -6.466
366 2HH2 ARG 46 HH22 ARG 46 -3.025 4.085 -5.863
367 H PHE 47 H PHE 47 -3.367 -1.630 -0.658
368 HA PHE 47 HA PHE 47 -3.800 -4.540 -0.693
369 1HB PHE 47 HB1 PHE 47 -2.878 -2.476 1.407
370 2HB PHE 47 HB2 PHE 47 -2.903 -4.185 1.828
371 HD1 PHE 47 HD1 PHE 47 -1.595 -4.811 -1.319
372 HD2 PHE 47 HD2 PHE 47 -0.606 -2.401 2.141
373 HE1 PHE 47 HE1 PHE 47 0.715 -4.709 -2.038
374 HE2 PHE 47 HE2 PHE 47 1.727 -2.440 1.435
375 HZ PHE 47 HZ PHE 47 2.409 -3.485 -0.684
376 H GLN 48 H GLN 48 -5.565 -5.420 0.152
377 HA GLN 48 HA GLN 48 -7.891 -3.722 0.442
378 1HB GLN 48 HB1 GLN 48 -7.741 -6.759 0.970
379 2HB GLN 48 HB2 GLN 48 -9.218 -5.768 0.716
380 1HG GLN 48 HG1 GLN 48 -8.516 -5.337 -1.699
381 2HG GLN 48 HG2 GLN 48 -7.102 -6.418 -1.462
382 1HE2 GLN 48 HE21 GLN 48 -9.431 -9.261 -0.964
383 2HE2 GLN 48 HE22 GLN 48 -7.911 -8.643 -0.338
384 H THR 49 H THR 49 -6.105 -5.716 2.873
385 HA THR 49 HA THR 49 -7.280 -4.043 5.003
386 HB THR 49 HB THR 49 -7.289 -6.062 6.522
387 HG1 THR 49 HG1 THR 49 -7.396 -8.089 5.522
388 1HG2 THR 49 HG21 THR 49 -9.403 -5.225 5.402
389 2HG2 THR 49 HG22 THR 49 -9.121 -6.389 4.060
390 3HG2 THR 49 HG23 THR 49 -9.428 -6.995 5.722
391 H ILE 50 H ILE 50 -5.792 -4.345 7.005
392 HA ILE 50 HA ILE 50 -3.249 -3.444 6.470
393 HB ILE 50 HB ILE 50 -4.622 -2.894 8.367
394 1HG1 ILE 50 HG11 ILE 50 -1.961 -4.045 9.388
395 2HG1 ILE 50 HG12 ILE 50 -2.126 -2.553 8.402
396 1HG2 ILE 50 HG21 ILE 50 -5.595 -5.208 8.829
397 2HG2 ILE 50 HG22 ILE 50 -4.021 -5.665 9.576
398 3HG2 ILE 50 HG23 ILE 50 -5.011 -4.347 10.283
399 1HD1 ILE 50 HD11 ILE 50 -3.638 -1.578 10.165
400 2HD1 ILE 50 HD12 ILE 50 -3.342 -3.025 11.205
401 3HD1 ILE 50 HD13 ILE 50 -1.978 -1.936 10.756
402 H GLY 51 H GLY 51 -4.232 -6.789 6.880
403 1HA GLY 51 HA1 GLY 51 -1.572 -7.726 7.549
404 2HA GLY 51 HA2 GLY 51 -3.025 -8.677 7.301
405 H GLU 52 H GLU 52 -3.034 -6.969 4.569
406 HA GLU 52 HA GLU 52 -1.548 -8.923 2.976
407 1HB GLU 52 HB1 GLU 52 -3.903 -8.366 2.512
408 2HB GLU 52 HB2 GLU 52 -3.493 -6.635 2.357
409 1HG GLU 52 HG1 GLU 52 -4.042 -7.799 0.201
410 2HG GLU 52 HG2 GLU 52 -2.509 -6.941 0.194
411 H CYS 53 H CYS 53 -0.784 -6.180 4.584
412 HA CYS 53 HA CYS 53 0.877 -4.776 2.694
413 1HB CYS 53 HB1 CYS 53 -0.592 -3.712 4.605
414 2HB CYS 53 HB2 CYS 53 0.427 -4.477 5.748
415 H ARG 54 H ARG 54 1.307 -6.634 5.551
416 HA ARG 54 HA ARG 54 4.252 -6.745 5.493
417 1HB ARG 54 HB1 ARG 54 4.402 -7.361 7.503
418 2HB ARG 54 HB2 ARG 54 3.175 -6.097 7.515
419 1HG ARG 54 HG1 ARG 54 2.568 -9.127 7.885
420 2HG ARG 54 HG2 ARG 54 2.857 -7.902 9.157
421 1HD ARG 54 HD1 ARG 54 0.880 -6.537 8.102
422 2HD ARG 54 HD2 ARG 54 0.492 -8.134 7.313
423 HE ARG 54 HE ARG 54 0.021 -9.089 9.463
424 1HH1 ARG 54 HH11 ARG 54 1.678 -6.157 9.965
425 2HH1 ARG 54 HH12 ARG 54 1.106 -5.873 11.594
426 1HH2 ARG 54 HH21 ARG 54 -0.810 -8.734 11.595
427 2HH2 ARG 54 HH22 ARG 54 -0.311 -7.341 12.494
428 H LYS 55 H LYS 55 1.517 -8.796 4.651
429 HA LYS 55 HA LYS 55 3.030 -11.175 4.175
430 1HB LYS 55 HB1 LYS 55 0.520 -10.956 4.587
431 2HB LYS 55 HB2 LYS 55 0.347 -10.329 2.922
432 1HG LYS 55 HG1 LYS 55 -0.310 -12.612 3.003
433 2HG LYS 55 HG2 LYS 55 1.240 -12.635 2.114
434 1HD LYS 55 HD1 LYS 55 1.252 -13.061 5.166
435 2HD LYS 55 HD2 LYS 55 0.544 -14.358 4.147
436 1HE LYS 55 HE1 LYS 55 3.421 -13.298 3.821
437 2HE LYS 55 HE2 LYS 55 2.928 -14.788 4.721
438 1HZ LYS 55 HZ1 LYS 55 1.982 -15.648 2.684
439 2HZ LYS 55 HZ2 LYS 55 2.437 -14.250 1.834
440 3HZ LYS 55 HZ3 LYS 55 3.627 -15.273 2.485
441 H LYS 56 H LYS 56 2.607 -8.284 2.239
442 HA LYS 56 HA LYS 56 4.035 -9.523 -0.029
443 1HB LYS 56 HB1 LYS 56 2.266 -7.064 0.226
444 2HB LYS 56 HB2 LYS 56 3.541 -7.054 -1.016
445 1HG LYS 56 HG1 LYS 56 2.847 -9.173 -1.923
446 2HG LYS 56 HG2 LYS 56 1.389 -9.208 -0.888
447 1HD LYS 56 HD1 LYS 56 1.815 -6.693 -2.741
448 2HD LYS 56 HD2 LYS 56 1.399 -8.260 -3.475
449 1HE LYS 56 HE1 LYS 56 -0.624 -8.552 -2.132
450 2HE LYS 56 HE2 LYS 56 -0.295 -7.031 -1.221
451 1HZ LYS 56 HZ1 LYS 56 -0.678 -7.279 -4.165
452 2HZ LYS 56 HZ2 LYS 56 -1.813 -6.700 -3.040
453 3HZ LYS 56 HZ3 LYS 56 -0.374 -5.839 -3.315
454 H CYS 57 H CYS 57 4.510 -7.136 2.626
455 HA CYS 57 HA CYS 57 7.235 -6.578 1.536
456 1HB CYS 57 HB1 CYS 57 5.219 -4.728 2.894
457 2HB CYS 57 HB2 CYS 57 6.922 -4.267 2.652
458 H LEU 58 H LEU 58 6.251 -8.375 4.329
459 HA LEU 58 HA LEU 58 8.869 -7.407 5.431
460 1HB LEU 58 HB1 LEU 58 6.365 -7.645 7.018
461 2HB LEU 58 HB2 LEU 58 7.938 -7.993 7.817
462 HG LEU 58 HG LEU 58 7.301 -5.419 6.412
463 1HD1 LEU 58 HD11 LEU 58 5.939 -5.702 8.540
464 2HD1 LEU 58 HD12 LEU 58 7.448 -6.093 9.441
465 3HD1 LEU 58 HD13 LEU 58 7.219 -4.445 8.765
466 1HD2 LEU 58 HD21 LEU 58 9.732 -6.198 8.122
467 2HD2 LEU 58 HD22 LEU 58 9.721 -5.728 6.373
468 3HD2 LEU 58 HD23 LEU 58 9.295 -4.518 7.624
469 H GLY 59 H GLY 59 6.932 -10.068 4.453
470 1HA GLY 59 HA1 GLY 59 7.257 -12.214 4.294
471 2HA GLY 59 HA2 GLY 59 8.879 -12.068 5.093
472 H LYS 60 H LYS 60 5.372 -11.553 5.994
473 HA LYS 60 HA LYS 60 5.451 -13.459 8.083
474 1HB LYS 60 HB1 LYS 60 4.662 -11.576 9.693
475 2HB LYS 60 HB2 LYS 60 6.438 -11.652 9.424
476 1HG LYS 60 HG1 LYS 60 6.405 -9.717 7.915
477 2HG LYS 60 HG2 LYS 60 4.652 -9.747 7.779
478 1HD LYS 60 HD1 LYS 60 5.188 -7.936 9.128
479 2HD LYS 60 HD2 LYS 60 4.382 -9.166 10.179
480 1HE LYS 60 HE1 LYS 60 6.757 -9.729 11.063
481 2HE LYS 60 HE2 LYS 60 7.346 -8.364 10.036
482 1HZ LYS 60 HZ1 LYS 60 5.889 -6.882 11.234
483 2HZ LYS 60 HZ2 LYS 60 5.309 -8.156 12.198
484 3HZ LYS 60 HZ3 LYS 60 6.938 -7.682 12.303
No H/Q in entry = 484
Start of MODEL 5
1 H TRP 1 H TRP 1 10.833 -13.223 4.278
2 HA TRP 1 HA TRP 1 10.555 -12.623 1.442
3 1HB TRP 1 HB1 TRP 1 8.514 -12.009 2.449
4 2HB TRP 1 HB2 TRP 1 9.203 -11.278 3.907
5 HD1 TRP 1 HD1 TRP 1 7.867 -10.147 0.500
6 HE1 TRP 1 HE1 TRP 1 8.144 -7.743 0.319
7 HE3 TRP 1 HE3 TRP 1 10.960 -9.434 4.549
8 HZ2 TRP 1 HZ2 TRP 1 9.652 -5.646 1.610
9 HZ3 TRP 1 HZ3 TRP 1 11.793 -7.153 4.989
10 HH2 TRP 1 HH2 TRP 1 11.102 -5.248 3.486
11 H GLN 2 H GLN 2 11.664 -10.883 0.501
12 HA GLN 2 HA GLN 2 13.617 -9.336 1.959
13 1HB GLN 2 HB1 GLN 2 14.239 -10.813 -0.700
14 2HB GLN 2 HB2 GLN 2 15.226 -9.492 0.011
15 1HG GLN 2 HG1 GLN 2 15.688 -10.907 2.043
16 2HG GLN 2 HG2 GLN 2 14.832 -12.289 1.272
17 1HE2 GLN 2 HE21 GLN 2 17.480 -12.596 -1.264
18 2HE2 GLN 2 HE22 GLN 2 15.738 -12.706 -1.143
19 HA PRO 3 HA PRO 3 10.836 -6.857 -0.238
20 1HB PRO 3 HB1 PRO 3 12.281 -4.365 -0.764
21 2HB PRO 3 HB2 PRO 3 11.219 -4.868 0.601
22 1HG PRO 3 HG1 PRO 3 14.200 -4.725 0.485
23 2HG PRO 3 HG2 PRO 3 13.157 -4.921 1.923
24 1HD PRO 3 HD1 PRO 3 14.713 -6.964 0.483
25 2HD PRO 3 HD2 PRO 3 13.699 -7.164 1.989
26 HA PRO 4 HA PRO 4 11.624 -7.135 -4.771
27 1HB PRO 4 HB1 PRO 4 9.100 -7.984 -5.509
28 2HB PRO 4 HB2 PRO 4 10.039 -8.969 -4.353
29 1HG PRO 4 HG1 PRO 4 8.042 -6.870 -3.579
30 2HG PRO 4 HG2 PRO 4 8.131 -8.651 -3.059
31 1HD PRO 4 HD1 PRO 4 9.063 -6.537 -1.562
32 2HD PRO 4 HD2 PRO 4 9.795 -8.207 -1.597
33 H TRP 5 H TRP 5 8.512 -6.202 -5.646
34 HA TRP 5 HA TRP 5 9.217 -3.450 -6.282
35 1HB TRP 5 HB1 TRP 5 7.239 -3.247 -7.731
36 2HB TRP 5 HB2 TRP 5 8.381 -4.509 -8.170
37 HD1 TRP 5 HD1 TRP 5 7.595 -6.841 -8.453
38 HE1 TRP 5 HE1 TRP 5 5.175 -7.867 -8.943
39 HE3 TRP 5 HE3 TRP 5 4.547 -3.355 -6.288
40 HZ2 TRP 5 HZ2 TRP 5 2.492 -6.984 -8.850
41 HZ3 TRP 5 HZ3 TRP 5 2.269 -3.228 -6.744
42 HH2 TRP 5 HH2 TRP 5 1.149 -5.090 -7.987
43 H TYR 6 H TYR 6 6.382 -5.003 -4.710
44 HA TYR 6 HA TYR 6 4.744 -2.937 -4.120
45 1HB TYR 6 HB1 TYR 6 4.818 -5.067 -1.950
46 2HB TYR 6 HB2 TYR 6 3.506 -4.522 -3.047
47 HD1 TYR 6 HD1 TYR 6 3.373 -5.658 -5.372
48 HD2 TYR 6 HD2 TYR 6 6.134 -6.676 -2.331
49 HE1 TYR 6 HE1 TYR 6 3.679 -7.861 -6.474
50 HE2 TYR 6 HE2 TYR 6 6.251 -9.102 -3.337
51 HH TYR 6 HH TYR 6 5.615 -10.409 -5.018
52 H CYS 7 H CYS 7 7.722 -3.009 -2.640
53 HA CYS 7 HA CYS 7 6.611 -1.765 -0.224
54 1HB CYS 7 HB1 CYS 7 9.537 -2.588 -0.445
55 2HB CYS 7 HB2 CYS 7 8.524 -2.240 0.991
56 H LYS 8 H LYS 8 8.457 -1.337 -3.141
57 HA LYS 8 HA LYS 8 9.455 1.351 -2.587
58 1HB LYS 8 HB1 LYS 8 10.006 -0.447 -5.067
59 2HB LYS 8 HB2 LYS 8 10.918 0.930 -4.525
60 1HG LYS 8 HG1 LYS 8 11.486 -0.462 -2.284
61 2HG LYS 8 HG2 LYS 8 10.783 -1.869 -3.093
62 1HD LYS 8 HD1 LYS 8 13.314 -0.440 -3.974
63 2HD LYS 8 HD2 LYS 8 13.003 -2.165 -3.530
64 1HE LYS 8 HE1 LYS 8 11.679 -2.429 -5.669
65 2HE LYS 8 HE2 LYS 8 12.103 -0.732 -6.117
66 1HZ LYS 8 HZ1 LYS 8 14.023 -2.925 -5.578
67 2HZ LYS 8 HZ2 LYS 8 13.575 -2.307 -7.096
68 3HZ LYS 8 HZ3 LYS 8 14.414 -1.325 -5.993
69 H GLU 9 H GLU 9 6.391 0.651 -3.423
70 HA GLU 9 HA GLU 9 6.344 1.985 -6.038
71 1HB GLU 9 HB1 GLU 9 5.273 -0.343 -5.337
72 2HB GLU 9 HB2 GLU 9 3.920 0.738 -4.977
73 1HG GLU 9 HG1 GLU 9 3.404 0.487 -7.150
74 2HG GLU 9 HG2 GLU 9 4.632 1.732 -7.491
75 HA PRO 10 HA PRO 10 5.363 5.514 -3.481
76 1HB PRO 10 HB1 PRO 10 4.716 7.015 -6.072
77 2HB PRO 10 HB2 PRO 10 5.951 7.427 -4.804
78 1HG PRO 10 HG1 PRO 10 6.712 6.373 -7.101
79 2HG PRO 10 HG2 PRO 10 7.409 5.692 -5.580
80 1HD PRO 10 HD1 PRO 10 4.967 4.584 -7.125
81 2HD PRO 10 HD2 PRO 10 6.508 3.739 -6.684
82 H VAL 11 H VAL 11 3.401 6.958 -2.558
83 HA VAL 11 HA VAL 11 0.901 5.770 -3.074
84 HB VAL 11 HB VAL 11 1.720 6.507 -0.931
85 1HG1 VAL 11 HG11 VAL 11 2.623 8.804 -1.605
86 2HG1 VAL 11 HG12 VAL 11 0.924 9.378 -1.772
87 3HG1 VAL 11 HG13 VAL 11 1.536 8.825 -0.171
88 1HG2 VAL 11 HG21 VAL 11 -0.645 5.881 -1.346
89 2HG2 VAL 11 HG22 VAL 11 -0.484 7.165 -0.091
90 3HG2 VAL 11 HG23 VAL 11 -1.054 7.605 -1.727
91 H ARG 12 H ARG 12 -0.851 6.252 -4.125
92 HA ARG 12 HA ARG 12 -1.031 8.502 -5.992
93 1HB ARG 12 HB1 ARG 12 -2.913 6.031 -5.949
94 2HB ARG 12 HB2 ARG 12 -2.678 7.191 -7.267
95 1HG ARG 12 HG1 ARG 12 -1.916 5.009 -7.772
96 2HG ARG 12 HG2 ARG 12 -0.572 6.154 -7.932
97 1HD ARG 12 HD1 ARG 12 0.100 3.948 -6.934
98 2HD ARG 12 HD2 ARG 12 0.475 5.418 -5.962
99 HE ARG 12 HE ARG 12 -2.038 4.799 -5.007
100 1HH1 ARG 12 HH11 ARG 12 0.355 2.591 -5.519
101 2HH1 ARG 12 HH12 ARG 12 0.159 1.811 -3.949
102 1HH2 ARG 12 HH21 ARG 12 -1.852 4.548 -2.874
103 2HH2 ARG 12 HH22 ARG 12 -0.888 3.249 -2.257
104 H ILE 13 H ILE 13 -3.538 8.864 -6.385
105 HA ILE 13 HA ILE 13 -5.373 8.107 -4.545
106 HB ILE 13 HB ILE 13 -4.341 10.336 -3.532
107 1HG1 ILE 13 HG11 ILE 13 -7.131 9.038 -3.424
108 2HG1 ILE 13 HG12 ILE 13 -5.617 8.546 -2.580
109 1HG2 ILE 13 HG21 ILE 13 -5.465 11.944 -5.217
110 2HG2 ILE 13 HG22 ILE 13 -7.067 11.182 -4.788
111 3HG2 ILE 13 HG23 ILE 13 -6.125 12.127 -3.586
112 1HD1 ILE 13 HD11 ILE 13 -7.026 11.230 -1.922
113 2HD1 ILE 13 HD12 ILE 13 -7.475 9.672 -1.139
114 3HD1 ILE 13 HD13 ILE 13 -5.781 10.288 -0.984
115 H GLY 14 H GLY 14 -5.038 10.442 -7.255
116 1HA GLY 14 HA1 GLY 14 -6.300 10.497 -9.205
117 2HA GLY 14 HA2 GLY 14 -7.150 9.037 -8.632
118 H SER 15 H SER 15 -9.253 10.003 -9.449
119 HA SER 15 HA SER 15 -10.775 11.140 -7.478
120 1HB SER 15 HB1 SER 15 -9.951 13.151 -9.692
121 2HB SER 15 HB2 SER 15 -11.504 13.290 -8.789
122 HG SER 15 HG SER 15 -9.069 13.022 -7.382
123 H CYS 16 H CYS 16 -12.862 10.441 -8.142
124 HA CYS 16 HA CYS 16 -13.635 9.984 -10.782
125 1HB CYS 16 HB1 CYS 16 -11.715 8.075 -10.219
126 2HB CYS 16 HB2 CYS 16 -13.047 7.175 -9.580
127 H LYS 17 H LYS 17 -13.720 8.188 -7.758
128 HA LYS 17 HA LYS 17 -16.676 8.146 -7.775
129 1HB LYS 17 HB1 LYS 17 -14.638 6.327 -6.342
130 2HB LYS 17 HB2 LYS 17 -16.425 6.131 -6.253
131 1HG LYS 17 HG1 LYS 17 -14.673 5.944 -8.774
132 2HG LYS 17 HG2 LYS 17 -15.080 4.554 -7.750
133 1HD LYS 17 HD1 LYS 17 -17.130 6.326 -9.285
134 2HD LYS 17 HD2 LYS 17 -16.458 4.755 -9.830
135 1HE LYS 17 HE1 LYS 17 -17.490 3.630 -7.790
136 2HE LYS 17 HE2 LYS 17 -18.322 5.191 -7.400
137 1HZ LYS 17 HZ1 LYS 17 -18.571 3.645 -9.930
138 2HZ LYS 17 HZ2 LYS 17 -19.705 3.717 -8.668
139 3HZ LYS 17 HZ3 LYS 17 -19.351 5.110 -9.573
140 H LYS 18 H LYS 18 -14.871 7.420 -4.926
141 HA LYS 18 HA LYS 18 -15.381 9.859 -3.474
142 1HB LYS 18 HB1 LYS 18 -17.542 8.596 -3.185
143 2HB LYS 18 HB2 LYS 18 -16.661 7.070 -2.974
144 1HG LYS 18 HG1 LYS 18 -17.505 7.678 -0.816
145 2HG LYS 18 HG2 LYS 18 -15.766 7.929 -0.751
146 1HD LYS 18 HD1 LYS 18 -16.508 10.488 -1.528
147 2HD LYS 18 HD2 LYS 18 -18.055 9.956 -0.811
148 1HE LYS 18 HE1 LYS 18 -16.768 11.183 0.879
149 2HE LYS 18 HE2 LYS 18 -16.743 9.439 1.370
150 1HZ LYS 18 HZ1 LYS 18 -14.614 10.907 -0.116
151 2HZ LYS 18 HZ2 LYS 18 -14.586 10.473 1.525
152 3HZ LYS 18 HZ3 LYS 18 -14.565 9.269 0.326
153 H GLN 19 H GLN 19 -14.029 9.381 -1.332
154 HA GLN 19 HA GLN 19 -11.660 7.809 -2.101
155 1HB GLN 19 HB1 GLN 19 -11.604 9.421 0.492
156 2HB GLN 19 HB2 GLN 19 -10.335 9.099 -0.717
157 1HG GLN 19 HG1 GLN 19 -12.623 11.168 -0.928
158 2HG GLN 19 HG2 GLN 19 -10.890 11.441 -0.536
159 1HE2 GLN 19 HE21 GLN 19 -9.901 10.613 -4.003
160 2HE2 GLN 19 HE22 GLN 19 -9.344 10.469 -2.361
161 H PHE 20 H PHE 20 -11.503 5.705 -1.382
162 HA PHE 20 HA PHE 20 -13.131 4.886 0.989
163 1HB PHE 20 HB1 PHE 20 -11.916 3.054 -1.173
164 2HB PHE 20 HB2 PHE 20 -13.187 2.640 0.030
165 HD1 PHE 20 HD1 PHE 20 -15.378 4.361 -0.141
166 HD2 PHE 20 HD2 PHE 20 -12.631 3.490 -3.384
167 HE1 PHE 20 HE1 PHE 20 -17.104 4.905 -1.780
168 HE2 PHE 20 HE2 PHE 20 -14.378 4.024 -4.993
169 HZ PHE 20 HZ PHE 20 -16.656 4.695 -4.208
170 H SER 21 H SER 21 -11.966 4.173 2.862
171 HA SER 21 HA SER 21 -9.174 4.596 2.992
172 1HB SER 21 HB1 SER 21 -10.719 4.993 4.921
173 2HB SER 21 HB2 SER 21 -10.820 3.217 5.163
174 HG SER 21 HG SER 21 -9.177 3.938 6.471
175 H SER 22 H SER 22 -7.467 3.517 2.799
176 HA SER 22 HA SER 22 -7.536 0.551 2.472
177 1HB SER 22 HB1 SER 22 -5.939 0.849 0.548
178 2HB SER 22 HB2 SER 22 -7.316 1.913 0.273
179 HG SER 22 HG SER 22 -5.852 3.461 1.675
180 H PHE 23 H PHE 23 -4.822 0.295 1.975
181 HA PHE 23 HA PHE 23 -3.178 1.271 4.141
182 1HB PHE 23 HB1 PHE 23 -3.624 -1.800 3.579
183 2HB PHE 23 HB2 PHE 23 -2.332 -1.129 4.554
184 HD1 PHE 23 HD1 PHE 23 -2.958 0.111 6.733
185 HD2 PHE 23 HD2 PHE 23 -5.879 -1.919 4.342
186 HE1 PHE 23 HE1 PHE 23 -4.591 0.144 8.662
187 HE2 PHE 23 HE2 PHE 23 -7.476 -1.885 6.233
188 HZ PHE 23 HZ PHE 23 -6.815 -0.845 8.390
189 H TYR 24 H TYR 24 -1.092 1.736 3.227
190 HA TYR 24 HA TYR 24 -0.210 0.011 1.004
191 1HB TYR 24 HB1 TYR 24 0.596 1.631 -0.460
192 2HB TYR 24 HB2 TYR 24 -1.004 2.269 0.018
193 HD1 TYR 24 HD1 TYR 24 -1.050 4.002 1.925
194 HD2 TYR 24 HD2 TYR 24 2.554 2.873 -0.133
195 HE1 TYR 24 HE1 TYR 24 0.002 6.060 2.746
196 HE2 TYR 24 HE2 TYR 24 3.652 4.992 0.752
197 HH TYR 24 HH TYR 24 1.931 7.244 2.916
198 H PHE 25 H PHE 25 2.246 -0.245 0.953
199 HA PHE 25 HA PHE 25 3.380 0.032 3.660
200 1HB PHE 25 HB1 PHE 25 3.090 -2.281 2.481
201 2HB PHE 25 HB2 PHE 25 4.413 -1.791 1.404
202 HD1 PHE 25 HD1 PHE 25 6.680 -1.008 2.744
203 HD2 PHE 25 HD2 PHE 25 3.575 -3.500 4.382
204 HE1 PHE 25 HE1 PHE 25 8.156 -1.823 4.573
205 HE2 PHE 25 HE2 PHE 25 4.847 -4.128 6.204
206 HZ PHE 25 HZ PHE 25 7.285 -3.239 6.351
207 H LYS 26 H LYS 26 5.009 1.596 3.903
208 HA LYS 26 HA LYS 26 6.026 2.881 1.468
209 1HB LYS 26 HB1 LYS 26 4.590 4.171 2.933
210 2HB LYS 26 HB2 LYS 26 5.457 3.578 4.381
211 1HG LYS 26 HG1 LYS 26 5.607 5.653 3.882
212 2HG LYS 26 HG2 LYS 26 7.339 5.177 3.834
213 1HD LYS 26 HD1 LYS 26 7.573 5.727 1.561
214 2HD LYS 26 HD2 LYS 26 5.798 5.583 1.215
215 1HE LYS 26 HE1 LYS 26 6.486 7.918 1.300
216 2HE LYS 26 HE2 LYS 26 5.318 7.449 2.634
217 1HZ LYS 26 HZ1 LYS 26 7.224 7.320 4.115
218 2HZ LYS 26 HZ2 LYS 26 8.294 7.728 2.861
219 3HZ LYS 26 HZ3 LYS 26 7.154 8.863 3.408
220 H TRP 27 H TRP 27 8.002 1.933 0.881
221 HA TRP 27 HA TRP 27 9.802 0.495 2.001
222 1HB TRP 27 HB1 TRP 27 9.821 1.180 -0.244
223 2HB TRP 27 HB2 TRP 27 9.840 2.912 0.120
224 HD1 TRP 27 HD1 TRP 27 12.012 3.870 -0.755
225 HE1 TRP 27 HE1 TRP 27 14.413 2.960 -1.218
226 HE3 TRP 27 HE3 TRP 27 11.333 -0.750 0.967
227 HZ2 TRP 27 HZ2 TRP 27 15.867 0.540 -0.722
228 HZ3 TRP 27 HZ3 TRP 27 13.238 -2.398 1.030
229 HH2 TRP 27 HH2 TRP 27 15.460 -1.765 0.137
230 H THR 28 H THR 28 10.285 4.090 2.335
231 HA THR 28 HA THR 28 12.548 3.721 4.035
232 HB THR 28 HB THR 28 12.412 6.371 4.109
233 HG1 THR 28 HG1 THR 28 11.372 7.086 2.211
234 1HG2 THR 28 HG21 THR 28 12.956 4.737 1.558
235 2HG2 THR 28 HG22 THR 28 13.550 6.404 1.894
236 3HG2 THR 28 HG23 THR 28 14.109 5.027 2.904
237 H ALA 29 H ALA 29 9.258 3.606 4.735
238 HA ALA 29 HA ALA 29 9.568 4.708 7.472
239 1HB ALA 29 HB1 ALA 29 7.488 5.321 6.245
240 2HB ALA 29 HB2 ALA 29 7.035 3.587 6.079
241 3HB ALA 29 HB3 ALA 29 7.123 4.364 7.713
242 H LYS 30 H LYS 30 9.007 1.725 5.645
243 HA LYS 30 HA LYS 30 9.440 -0.415 5.998
244 1HB LYS 30 HB1 LYS 30 11.459 0.370 7.203
245 2HB LYS 30 HB2 LYS 30 10.589 0.137 8.745
246 1HG LYS 30 HG1 LYS 30 12.116 -1.640 8.142
247 2HG LYS 30 HG2 LYS 30 10.471 -2.339 8.270
248 1HD LYS 30 HD1 LYS 30 10.324 -2.683 5.920
249 2HD LYS 30 HD2 LYS 30 11.592 -1.472 5.532
250 1HE LYS 30 HE1 LYS 30 12.206 -4.132 6.992
251 2HE LYS 30 HE2 LYS 30 12.327 -3.896 5.200
252 1HZ LYS 30 HZ1 LYS 30 13.896 -2.123 5.573
253 2HZ LYS 30 HZ2 LYS 30 13.794 -2.328 7.256
254 3HZ LYS 30 HZ3 LYS 30 14.430 -3.569 6.285
255 H LYS 31 H LYS 31 7.036 1.112 6.887
256 HA LYS 31 HA LYS 31 5.537 -0.942 8.337
257 1HB LYS 31 HB1 LYS 31 5.649 2.119 8.835
258 2HB LYS 31 HB2 LYS 31 4.391 1.076 9.578
259 1HG LYS 31 HG1 LYS 31 6.086 -0.210 10.787
260 2HG LYS 31 HG2 LYS 31 7.385 0.871 10.179
261 1HD LYS 31 HD1 LYS 31 4.918 1.838 11.758
262 2HD LYS 31 HD2 LYS 31 6.505 1.427 12.490
263 1HE LYS 31 HE1 LYS 31 7.634 3.228 11.170
264 2HE LYS 31 HE2 LYS 31 6.050 3.692 10.426
265 1HZ LYS 31 HZ1 LYS 31 6.685 3.713 13.324
266 2HZ LYS 31 HZ2 LYS 31 6.588 5.059 12.293
267 3HZ LYS 31 HZ3 LYS 31 5.200 4.136 12.620
268 H CYS 32 H CYS 32 3.168 -0.511 8.182
269 HA CYS 32 HA CYS 32 2.267 0.024 5.481
270 1HB CYS 32 HB1 CYS 32 0.949 -1.206 8.048
271 2HB CYS 32 HB2 CYS 32 0.127 -1.151 6.429
272 H LEU 33 H LEU 33 1.290 2.090 5.034
273 HA LEU 33 HA LEU 33 0.178 3.575 7.353
274 1HB LEU 33 HB1 LEU 33 1.120 4.772 4.728
275 2HB LEU 33 HB2 LEU 33 0.565 5.639 6.190
276 HG LEU 33 HG LEU 33 3.115 3.913 5.994
277 1HD1 LEU 33 HD11 LEU 33 3.278 5.990 4.702
278 2HD1 LEU 33 HD12 LEU 33 2.722 6.960 6.124
279 3HD1 LEU 33 HD13 LEU 33 4.296 6.082 6.191
280 1HD2 LEU 33 HD21 LEU 33 2.021 5.655 8.305
281 2HD2 LEU 33 HD22 LEU 33 2.208 3.864 8.335
282 3HD2 LEU 33 HD23 LEU 33 3.658 4.919 8.239
283 HA PRO 34 HA PRO 34 -3.699 3.014 4.990
284 1HB PRO 34 HB1 PRO 34 -5.469 3.730 6.860
285 2HB PRO 34 HB2 PRO 34 -4.144 2.675 7.233
286 1HG PRO 34 HG1 PRO 34 -3.961 5.633 7.869
287 2HG PRO 34 HG2 PRO 34 -3.893 4.237 9.030
288 1HD PRO 34 HD1 PRO 34 -1.556 5.290 7.688
289 2HD PRO 34 HD2 PRO 34 -1.792 3.573 8.296
290 H PHE 35 H PHE 35 -3.601 4.056 3.078
291 HA PHE 35 HA PHE 35 -4.214 6.978 3.111
292 1HB PHE 35 HB1 PHE 35 -3.189 7.401 1.162
293 2HB PHE 35 HB2 PHE 35 -2.162 6.092 1.819
294 HD1 PHE 35 HD1 PHE 35 -3.042 3.562 0.974
295 HD2 PHE 35 HD2 PHE 35 -3.916 7.296 -1.077
296 HE1 PHE 35 HE1 PHE 35 -3.576 2.361 -0.982
297 HE2 PHE 35 HE2 PHE 35 -4.469 6.003 -3.070
298 HZ PHE 35 HZ PHE 35 -4.399 3.488 -3.017
299 H LEU 36 H LEU 36 -5.818 7.368 0.886
300 HA LEU 36 HA LEU 36 -8.028 5.427 1.104
301 1HB LEU 36 HB1 LEU 36 -8.209 8.501 0.741
302 2HB LEU 36 HB2 LEU 36 -9.539 7.332 0.455
303 HG LEU 36 HG LEU 36 -9.150 6.510 2.808
304 1HD1 LEU 36 HD11 LEU 36 -7.890 9.234 3.119
305 2HD1 LEU 36 HD12 LEU 36 -8.587 8.224 4.476
306 3HD1 LEU 36 HD13 LEU 36 -7.229 7.566 3.526
307 1HD2 LEU 36 HD21 LEU 36 -11.247 7.661 2.082
308 2HD2 LEU 36 HD22 LEU 36 -10.783 8.138 3.744
309 3HD2 LEU 36 HD23 LEU 36 -10.469 9.266 2.378
310 H PHE 37 H PHE 37 -8.860 4.830 -0.822
311 HA PHE 37 HA PHE 37 -7.385 5.595 -3.342
312 1HB PHE 37 HB1 PHE 37 -7.081 3.259 -2.865
313 2HB PHE 37 HB2 PHE 37 -8.797 3.117 -2.279
314 HD1 PHE 37 HD1 PHE 37 -6.767 3.461 -5.608
315 HD2 PHE 37 HD2 PHE 37 -10.444 2.356 -3.592
316 HE1 PHE 37 HE1 PHE 37 -7.487 2.216 -7.565
317 HE2 PHE 37 HE2 PHE 37 -11.220 1.249 -5.643
318 HZ PHE 37 HZ PHE 37 -9.686 1.054 -7.598
319 H SER 38 H SER 38 -8.549 6.611 -5.159
320 HA SER 38 HA SER 38 -11.318 7.322 -4.664
321 1HB SER 38 HB1 SER 38 -9.722 8.202 -7.129
322 2HB SER 38 HB2 SER 38 -11.171 8.938 -6.350
323 HG SER 38 HG SER 38 -8.460 8.934 -5.627
324 H GLY 39 H GLY 39 -9.943 4.606 -6.298
325 1HA GLY 39 HA1 GLY 39 -11.338 3.087 -7.433
326 2HA GLY 39 HA2 GLY 39 -12.339 4.313 -8.024
327 H CYS 40 H CYS 40 -10.658 6.006 -9.364
328 HA CYS 40 HA CYS 40 -9.237 4.416 -11.412
329 1HB CYS 40 HB1 CYS 40 -10.414 7.229 -11.938
330 2HB CYS 40 HB2 CYS 40 -10.022 5.931 -13.104
331 H GLY 41 H GLY 41 -7.015 5.150 -11.721
332 1HA GLY 41 HA1 GLY 41 -5.419 7.043 -11.473
333 2HA GLY 41 HA2 GLY 41 -6.270 7.542 -9.994
334 H GLY 42 H GLY 42 -6.417 4.362 -9.595
335 1HA GLY 42 HA1 GLY 42 -3.900 4.008 -8.166
336 2HA GLY 42 HA2 GLY 42 -5.324 2.930 -8.259
337 H ASN 43 H ASN 43 -2.192 3.014 -9.077
338 HA ASN 43 HA ASN 43 -2.331 1.809 -11.725
339 1HB ASN 43 HB1 ASN 43 0.169 2.033 -11.716
340 2HB ASN 43 HB2 ASN 43 -0.759 3.559 -11.487
341 1HD2 ASN 43 HD21 ASN 43 1.828 3.932 -8.983
342 2HD2 ASN 43 HD22 ASN 43 1.546 4.227 -10.675
343 H ALA 44 H ALA 44 -0.254 0.638 -8.955
344 HA ALA 44 HA ALA 44 -1.311 -2.096 -9.536
345 1HB ALA 44 HB1 ALA 44 0.752 -1.653 -10.943
346 2HB ALA 44 HB2 ALA 44 1.701 -1.392 -9.433
347 3HB ALA 44 HB3 ALA 44 0.972 -3.003 -9.793
348 H ASN 45 H ASN 45 0.089 -0.037 -6.971
349 HA ASN 45 HA ASN 45 0.377 -2.403 -5.203
350 1HB ASN 45 HB1 ASN 45 2.369 -0.952 -5.675
351 2HB ASN 45 HB2 ASN 45 1.497 0.449 -5.099
352 1HD2 ASN 45 HD21 ASN 45 3.173 -0.021 -2.036
353 2HD2 ASN 45 HD22 ASN 45 2.503 0.985 -3.283
354 H ARG 46 H ARG 46 -2.318 -2.275 -4.532
355 HA ARG 46 HA ARG 46 -2.037 -1.033 -1.983
356 1HB ARG 46 HB1 ARG 46 -3.808 0.388 -1.687
357 2HB ARG 46 HB2 ARG 46 -2.867 0.972 -3.082
358 1HG ARG 46 HG1 ARG 46 -5.577 -0.495 -3.240
359 2HG ARG 46 HG2 ARG 46 -5.361 1.274 -3.299
360 1HD ARG 46 HD1 ARG 46 -4.351 -0.785 -5.307
361 2HD ARG 46 HD2 ARG 46 -5.731 0.403 -5.546
362 HE ARG 46 HE ARG 46 -3.319 1.873 -4.863
363 1HH1 ARG 46 HH11 ARG 46 -4.203 -0.070 -7.603
364 2HH1 ARG 46 HH12 ARG 46 -2.772 0.340 -8.442
365 1HH2 ARG 46 HH21 ARG 46 -1.740 2.746 -6.123
366 2HH2 ARG 46 HH22 ARG 46 -1.406 1.943 -7.627
367 H PHE 47 H PHE 47 -3.351 -1.636 -0.314
368 HA PHE 47 HA PHE 47 -4.164 -4.434 -0.622
369 1HB PHE 47 HB1 PHE 47 -3.167 -2.928 1.929
370 2HB PHE 47 HB2 PHE 47 -3.199 -4.699 1.636
371 HD1 PHE 47 HD1 PHE 47 -1.915 -4.951 -1.155
372 HD2 PHE 47 HD2 PHE 47 -0.918 -2.331 2.155
373 HE1 PHE 47 HE1 PHE 47 0.333 -4.577 -2.079
374 HE2 PHE 47 HE2 PHE 47 1.338 -2.178 1.281
375 HZ PHE 47 HZ PHE 47 1.972 -3.193 -0.883
376 H GLN 48 H GLN 48 -6.084 -5.260 0.135
377 HA GLN 48 HA GLN 48 -8.194 -3.423 0.792
378 1HB GLN 48 HB1 GLN 48 -9.703 -5.030 0.098
379 2HB GLN 48 HB2 GLN 48 -8.277 -5.414 -0.891
380 1HG GLN 48 HG1 GLN 48 -9.465 -6.909 1.554
381 2HG GLN 48 HG2 GLN 48 -9.411 -7.465 -0.142
382 1HE2 GLN 48 HE21 GLN 48 -5.928 -8.550 0.270
383 2HE2 GLN 48 HE22 GLN 48 -7.021 -8.004 -0.981
384 H THR 49 H THR 49 -6.156 -5.499 2.730
385 HA THR 49 HA THR 49 -7.517 -4.560 5.127
386 HB THR 49 HB THR 49 -7.246 -6.759 6.284
387 HG1 THR 49 HG1 THR 49 -6.865 -7.834 3.662
388 1HG2 THR 49 HG21 THR 49 -9.451 -6.107 5.283
389 2HG2 THR 49 HG22 THR 49 -9.005 -6.913 3.750
390 3HG2 THR 49 HG23 THR 49 -9.192 -7.896 5.252
391 H ILE 50 H ILE 50 -5.912 -4.783 7.035
392 HA ILE 50 HA ILE 50 -3.422 -3.732 6.356
393 HB ILE 50 HB ILE 50 -4.817 -3.240 8.320
394 1HG1 ILE 50 HG11 ILE 50 -1.925 -3.953 9.062
395 2HG1 ILE 50 HG12 ILE 50 -2.436 -2.528 8.092
396 1HG2 ILE 50 HG21 ILE 50 -5.356 -5.694 8.925
397 2HG2 ILE 50 HG22 ILE 50 -3.685 -5.826 9.574
398 3HG2 ILE 50 HG23 ILE 50 -4.838 -4.666 10.301
399 1HD1 ILE 50 HD11 ILE 50 -3.917 -1.806 10.060
400 2HD1 ILE 50 HD12 ILE 50 -3.173 -3.137 11.023
401 3HD1 ILE 50 HD13 ILE 50 -2.146 -1.796 10.404
402 H GLY 51 H GLY 51 -4.307 -7.069 6.650
403 1HA GLY 51 HA1 GLY 51 -1.648 -8.079 7.225
404 2HA GLY 51 HA2 GLY 51 -3.139 -8.983 6.889
405 H GLU 52 H GLU 52 -3.275 -7.120 4.284
406 HA GLU 52 HA GLU 52 -1.721 -8.887 2.569
407 1HB GLU 52 HB1 GLU 52 -4.072 -8.263 2.109
408 2HB GLU 52 HB2 GLU 52 -3.617 -6.565 2.014
409 1HG GLU 52 HG1 GLU 52 -3.883 -7.345 -0.276
410 2HG GLU 52 HG2 GLU 52 -2.110 -7.192 -0.069
411 H CYS 53 H CYS 53 -1.159 -6.013 4.261
412 HA CYS 53 HA CYS 53 0.682 -4.654 2.537
413 1HB CYS 53 HB1 CYS 53 -0.843 -3.650 4.468
414 2HB CYS 53 HB2 CYS 53 0.208 -4.479 5.593
415 H ARG 54 H ARG 54 0.995 -6.614 5.340
416 HA ARG 54 HA ARG 54 3.792 -7.065 5.674
417 1HB ARG 54 HB1 ARG 54 1.146 -8.261 6.583
418 2HB ARG 54 HB2 ARG 54 2.691 -8.941 7.167
419 1HG ARG 54 HG1 ARG 54 3.219 -7.101 8.479
420 2HG ARG 54 HG2 ARG 54 2.350 -5.940 7.441
421 1HD ARG 54 HD1 ARG 54 1.213 -6.362 9.652
422 2HD ARG 54 HD2 ARG 54 0.285 -6.612 8.089
423 HE ARG 54 HE ARG 54 1.397 -9.185 8.760
424 1HH1 ARG 54 HH11 ARG 54 -0.802 -7.166 10.605
425 2HH1 ARG 54 HH12 ARG 54 -1.099 -8.490 11.700
426 1HH2 ARG 54 HH21 ARG 54 0.981 -10.714 9.985
427 2HH2 ARG 54 HH22 ARG 54 -0.100 -10.500 11.355
428 H LYS 55 H LYS 55 1.151 -8.764 3.939
429 HA LYS 55 HA LYS 55 2.528 -11.158 3.395
430 1HB LYS 55 HB1 LYS 55 0.021 -10.734 3.469
431 2HB LYS 55 HB2 LYS 55 0.092 -9.972 1.846
432 1HG LYS 55 HG1 LYS 55 0.972 -12.238 0.970
433 2HG LYS 55 HG2 LYS 55 0.750 -12.892 2.628
434 1HD LYS 55 HD1 LYS 55 -1.400 -11.871 0.677
435 2HD LYS 55 HD2 LYS 55 -1.137 -13.550 1.240
436 1HE LYS 55 HE1 LYS 55 -1.887 -12.909 3.551
437 2HE LYS 55 HE2 LYS 55 -2.140 -11.201 3.013
438 1HZ LYS 55 HZ1 LYS 55 -3.510 -13.591 1.911
439 2HZ LYS 55 HZ2 LYS 55 -4.161 -12.447 2.984
440 3HZ LYS 55 HZ3 LYS 55 -3.733 -11.984 1.407
441 H LYS 56 H LYS 56 2.190 -8.102 1.482
442 HA LYS 56 HA LYS 56 3.879 -9.159 -0.668
443 1HB LYS 56 HB1 LYS 56 1.860 -7.047 -0.459
444 2HB LYS 56 HB2 LYS 56 3.340 -6.395 -1.206
445 1HG LYS 56 HG1 LYS 56 3.385 -8.218 -2.835
446 2HG LYS 56 HG2 LYS 56 1.966 -8.975 -2.205
447 1HD LYS 56 HD1 LYS 56 2.052 -6.117 -3.593
448 2HD LYS 56 HD2 LYS 56 1.706 -7.685 -4.352
449 1HE LYS 56 HE1 LYS 56 -0.099 -6.786 -2.049
450 2HE LYS 56 HE2 LYS 56 -0.437 -6.535 -3.816
451 1HZ LYS 56 HZ1 LYS 56 -0.302 -8.918 -4.118
452 2HZ LYS 56 HZ2 LYS 56 0.028 -9.152 -2.469
453 3HZ LYS 56 HZ3 LYS 56 -1.471 -8.517 -2.952
454 H CYS 57 H CYS 57 4.232 -7.047 2.242
455 HA CYS 57 HA CYS 57 7.066 -6.555 1.408
456 1HB CYS 57 HB1 CYS 57 4.970 -4.723 2.544
457 2HB CYS 57 HB2 CYS 57 6.696 -4.285 2.723
458 H LEU 58 H LEU 58 5.741 -8.381 4.168
459 HA LEU 58 HA LEU 58 8.403 -7.685 5.279
460 1HB LEU 58 HB1 LEU 58 5.878 -7.348 6.850
461 2HB LEU 58 HB2 LEU 58 7.361 -7.903 7.704
462 HG LEU 58 HG LEU 58 7.181 -5.382 6.115
463 1HD1 LEU 58 HD11 LEU 58 5.917 -5.343 8.335
464 2HD1 LEU 58 HD12 LEU 58 7.415 -5.901 9.164
465 3HD1 LEU 58 HD13 LEU 58 7.376 -4.280 8.392
466 1HD2 LEU 58 HD21 LEU 58 9.517 -6.653 7.636
467 2HD2 LEU 58 HD22 LEU 58 9.485 -5.998 5.955
468 3HD2 LEU 58 HD23 LEU 58 9.425 -4.875 7.348
469 H GLY 59 H GLY 59 5.921 -10.184 4.956
470 1HA GLY 59 HA1 GLY 59 6.233 -12.434 5.104
471 2HA GLY 59 HA2 GLY 59 7.869 -12.211 5.817
472 H LYS 60 H LYS 60 4.424 -11.309 6.681
473 HA LYS 60 HA LYS 60 4.364 -12.747 9.084
474 1HB LYS 60 HB1 LYS 60 3.835 -10.445 10.322
475 2HB LYS 60 HB2 LYS 60 5.542 -10.989 10.236
476 1HG LYS 60 HG1 LYS 60 6.130 -9.461 8.526
477 2HG LYS 60 HG2 LYS 60 4.448 -9.070 8.104
478 1HD LYS 60 HD1 LYS 60 5.326 -7.226 9.188
479 2HD LYS 60 HD2 LYS 60 4.120 -7.957 10.293
480 1HE LYS 60 HE1 LYS 60 6.106 -7.102 11.531
481 2HE LYS 60 HE2 LYS 60 5.845 -8.888 11.714
482 1HZ LYS 60 HZ1 LYS 60 7.618 -9.224 10.097
483 2HZ LYS 60 HZ2 LYS 60 7.829 -7.548 9.924
484 3HZ LYS 60 HZ3 LYS 60 8.175 -8.297 11.408
No H/Q in entry = 484
Start of MODEL 6
1 H TRP 1 H TRP 1 13.550 -12.490 3.540
2 HA TRP 1 HA TRP 1 11.941 -12.370 1.343
3 1HB TRP 1 HB1 TRP 1 9.947 -11.981 2.494
4 2HB TRP 1 HB2 TRP 1 10.658 -11.074 3.834
5 HD1 TRP 1 HD1 TRP 1 8.797 -10.319 0.554
6 HE1 TRP 1 HE1 TRP 1 8.638 -7.904 0.272
7 HE3 TRP 1 HE3 TRP 1 12.043 -8.936 4.303
8 HZ2 TRP 1 HZ2 TRP 1 9.857 -5.542 1.386
9 HZ3 TRP 1 HZ3 TRP 1 12.370 -6.526 4.707
10 HH2 TRP 1 HH2 TRP 1 11.322 -4.838 3.207
11 H GLN 2 H GLN 2 12.504 -10.478 0.084
12 HA GLN 2 HA GLN 2 14.452 -8.611 1.131
13 1HB GLN 2 HB1 GLN 2 14.704 -10.305 -1.450
14 2HB GLN 2 HB2 GLN 2 15.599 -8.781 -1.153
15 1HG GLN 2 HG1 GLN 2 16.637 -9.811 0.933
16 2HG GLN 2 HG2 GLN 2 15.878 -11.385 0.510
17 1HE2 GLN 2 HE21 GLN 2 18.055 -11.605 -2.487
18 2HE2 GLN 2 HE22 GLN 2 16.355 -11.800 -2.127
19 HA PRO 3 HA PRO 3 11.078 -6.533 -0.472
20 1HB PRO 3 HB1 PRO 3 11.863 -3.904 -0.921
21 2HB PRO 3 HB2 PRO 3 11.672 -4.719 0.634
22 1HG PRO 3 HG1 PRO 3 14.281 -4.441 -0.993
23 2HG PRO 3 HG2 PRO 3 14.068 -4.094 0.781
24 1HD PRO 3 HD1 PRO 3 15.094 -6.434 -0.211
25 2HD PRO 3 HD2 PRO 3 14.068 -6.394 1.308
26 HA PRO 4 HA PRO 4 11.201 -6.711 -5.069
27 1HB PRO 4 HB1 PRO 4 8.689 -7.802 -5.390
28 2HB PRO 4 HB2 PRO 4 9.866 -8.648 -4.359
29 1HG PRO 4 HG1 PRO 4 7.861 -6.631 -3.337
30 2HG PRO 4 HG2 PRO 4 8.078 -8.406 -2.818
31 1HD PRO 4 HD1 PRO 4 9.122 -6.225 -1.548
32 2HD PRO 4 HD2 PRO 4 9.948 -7.857 -1.668
33 H TRP 5 H TRP 5 7.885 -6.049 -5.418
34 HA TRP 5 HA TRP 5 8.319 -3.339 -6.363
35 1HB TRP 5 HB1 TRP 5 6.029 -3.373 -7.394
36 2HB TRP 5 HB2 TRP 5 7.258 -4.453 -8.024
37 HD1 TRP 5 HD1 TRP 5 6.860 -6.934 -8.125
38 HE1 TRP 5 HE1 TRP 5 4.625 -8.361 -7.815
39 HE3 TRP 5 HE3 TRP 5 3.505 -3.912 -5.735
40 HZ2 TRP 5 HZ2 TRP 5 1.878 -7.819 -8.059
41 HZ3 TRP 5 HZ3 TRP 5 1.189 -4.028 -6.215
42 HH2 TRP 5 HH2 TRP 5 0.318 -6.016 -7.352
43 H TYR 6 H TYR 6 5.617 -4.739 -4.495
44 HA TYR 6 HA TYR 6 4.091 -2.757 -3.805
45 1HB TYR 6 HB1 TYR 6 4.647 -4.668 -1.462
46 2HB TYR 6 HB2 TYR 6 3.117 -4.281 -2.350
47 HD1 TYR 6 HD1 TYR 6 2.577 -5.600 -4.421
48 HD2 TYR 6 HD2 TYR 6 6.060 -6.290 -2.051
49 HE1 TYR 6 HE1 TYR 6 2.815 -7.811 -5.470
50 HE2 TYR 6 HE2 TYR 6 6.170 -8.716 -3.119
51 HH TYR 6 HH TYR 6 3.898 -9.995 -5.022
52 H CYS 7 H CYS 7 6.953 -3.323 -1.838
53 HA CYS 7 HA CYS 7 6.434 -1.515 0.092
54 1HB CYS 7 HB1 CYS 7 9.313 -2.284 -0.634
55 2HB CYS 7 HB2 CYS 7 8.597 -2.101 0.979
56 H LYS 8 H LYS 8 8.151 -1.265 -2.954
57 HA LYS 8 HA LYS 8 9.024 1.503 -2.705
58 1HB LYS 8 HB1 LYS 8 9.511 -0.555 -5.031
59 2HB LYS 8 HB2 LYS 8 10.292 0.989 -4.767
60 1HG LYS 8 HG1 LYS 8 11.259 0.060 -2.563
61 2HG LYS 8 HG2 LYS 8 10.398 -1.468 -2.920
62 1HD LYS 8 HD1 LYS 8 12.720 -1.782 -3.543
63 2HD LYS 8 HD2 LYS 8 11.827 -1.658 -5.092
64 1HE LYS 8 HE1 LYS 8 12.725 0.658 -5.425
65 2HE LYS 8 HE2 LYS 8 13.404 0.653 -3.748
66 1HZ LYS 8 HZ1 LYS 8 14.810 -1.178 -4.387
67 2HZ LYS 8 HZ2 LYS 8 14.163 -1.182 -5.957
68 3HZ LYS 8 HZ3 LYS 8 15.040 0.164 -5.403
69 H GLU 9 H GLU 9 6.177 -0.139 -3.790
70 HA GLU 9 HA GLU 9 5.826 1.140 -6.293
71 1HB GLU 9 HB1 GLU 9 5.103 -1.159 -5.570
72 2HB GLU 9 HB2 GLU 9 3.665 -0.374 -4.920
73 1HG GLU 9 HG1 GLU 9 3.011 -0.856 -7.111
74 2HG GLU 9 HG2 GLU 9 3.611 0.781 -7.440
75 HA PRO 10 HA PRO 10 4.434 4.845 -4.277
76 1HB PRO 10 HB1 PRO 10 3.438 5.705 -7.043
77 2HB PRO 10 HB2 PRO 10 4.535 6.604 -5.926
78 1HG PRO 10 HG1 PRO 10 5.571 5.347 -8.009
79 2HG PRO 10 HG2 PRO 10 6.349 5.016 -6.400
80 1HD PRO 10 HD1 PRO 10 4.138 3.351 -7.749
81 2HD PRO 10 HD2 PRO 10 5.760 2.752 -7.271
82 H VAL 11 H VAL 11 2.579 5.932 -3.206
83 HA VAL 11 HA VAL 11 0.020 4.659 -3.463
84 HB VAL 11 HB VAL 11 0.835 5.134 -1.320
85 1HG1 VAL 11 HG11 VAL 11 1.114 8.110 -2.150
86 2HG1 VAL 11 HG12 VAL 11 1.196 7.483 -0.472
87 3HG1 VAL 11 HG13 VAL 11 2.434 6.981 -1.653
88 1HG2 VAL 11 HG21 VAL 11 -1.645 5.422 -1.860
89 2HG2 VAL 11 HG22 VAL 11 -1.065 6.245 -0.365
90 3HG2 VAL 11 HG23 VAL 11 -1.397 7.211 -1.844
91 H ARG 12 H ARG 12 -1.826 5.409 -4.528
92 HA ARG 12 HA ARG 12 -1.643 8.031 -5.927
93 1HB ARG 12 HB1 ARG 12 -2.325 5.418 -7.211
94 2HB ARG 12 HB2 ARG 12 -2.452 7.018 -8.004
95 1HG ARG 12 HG1 ARG 12 0.116 7.220 -7.144
96 2HG ARG 12 HG2 ARG 12 -0.107 5.452 -7.172
97 1HD ARG 12 HD1 ARG 12 -0.917 5.897 -9.662
98 2HD ARG 12 HD2 ARG 12 -0.446 7.624 -9.367
99 HE ARG 12 HE ARG 12 1.481 5.681 -10.373
100 1HH1 ARG 12 HH11 ARG 12 1.441 8.274 -8.011
101 2HH1 ARG 12 HH12 ARG 12 3.101 8.668 -8.380
102 1HH2 ARG 12 HH21 ARG 12 3.550 6.003 -10.507
103 2HH2 ARG 12 HH22 ARG 12 4.218 7.439 -9.830
104 H ILE 13 H ILE 13 -3.974 8.944 -6.218
105 HA ILE 13 HA ILE 13 -6.043 7.289 -4.963
106 HB ILE 13 HB ILE 13 -5.175 8.764 -3.339
107 1HG1 ILE 13 HG11 ILE 13 -8.083 9.058 -4.191
108 2HG1 ILE 13 HG12 ILE 13 -7.287 7.637 -3.426
109 1HG2 ILE 13 HG21 ILE 13 -4.770 10.865 -4.615
110 2HG2 ILE 13 HG22 ILE 13 -6.602 11.043 -4.742
111 3HG2 ILE 13 HG23 ILE 13 -5.780 11.012 -3.149
112 1HD1 ILE 13 HD11 ILE 13 -6.974 8.873 -1.317
113 2HD1 ILE 13 HD12 ILE 13 -7.712 10.370 -2.023
114 3HD1 ILE 13 HD13 ILE 13 -8.743 8.910 -1.759
115 H GLY 14 H GLY 14 -5.723 10.186 -7.158
116 1HA GLY 14 HA1 GLY 14 -6.650 9.302 -9.346
117 2HA GLY 14 HA2 GLY 14 -8.199 9.227 -8.412
118 H SER 15 H SER 15 -8.922 10.711 -10.208
119 HA SER 15 HA SER 15 -8.752 13.449 -9.287
120 1HB SER 15 HB1 SER 15 -7.869 12.717 -12.148
121 2HB SER 15 HB2 SER 15 -8.280 14.387 -11.589
122 HG SER 15 HG SER 15 -6.516 12.982 -9.956
123 H CYS 16 H CYS 16 -10.559 11.874 -8.678
124 HA CYS 16 HA CYS 16 -13.007 12.518 -10.038
125 1HB CYS 16 HB1 CYS 16 -11.847 9.781 -9.355
126 2HB CYS 16 HB2 CYS 16 -13.544 9.846 -9.305
127 H LYS 17 H LYS 17 -14.615 11.324 -8.126
128 HA LYS 17 HA LYS 17 -13.663 12.266 -5.479
129 1HB LYS 17 HB1 LYS 17 -16.408 12.904 -6.750
130 2HB LYS 17 HB2 LYS 17 -15.927 13.295 -5.057
131 1HG LYS 17 HG1 LYS 17 -14.681 14.530 -7.550
132 2HG LYS 17 HG2 LYS 17 -15.924 15.222 -6.449
133 1HD LYS 17 HD1 LYS 17 -14.225 14.766 -4.512
134 2HD LYS 17 HD2 LYS 17 -12.984 14.609 -5.806
135 1HE LYS 17 HE1 LYS 17 -13.591 16.977 -6.557
136 2HE LYS 17 HE2 LYS 17 -14.805 17.026 -5.204
137 1HZ LYS 17 HZ1 LYS 17 -13.004 16.660 -3.657
138 2HZ LYS 17 HZ2 LYS 17 -11.871 16.594 -4.920
139 3HZ LYS 17 HZ3 LYS 17 -12.708 18.038 -4.603
140 H LYS 18 H LYS 18 -13.320 9.888 -4.992
141 HA LYS 18 HA LYS 18 -15.690 8.736 -3.850
142 1HB LYS 18 HB1 LYS 18 -15.620 7.831 -6.223
143 2HB LYS 18 HB2 LYS 18 -13.934 7.318 -5.992
144 1HG LYS 18 HG1 LYS 18 -15.299 5.388 -5.830
145 2HG LYS 18 HG2 LYS 18 -14.795 5.744 -4.152
146 1HD LYS 18 HD1 LYS 18 -17.269 7.200 -4.581
147 2HD LYS 18 HD2 LYS 18 -17.497 5.650 -5.444
148 1HE LYS 18 HE1 LYS 18 -18.408 5.532 -3.132
149 2HE LYS 18 HE2 LYS 18 -16.999 4.407 -3.273
150 1HZ LYS 18 HZ1 LYS 18 -15.619 6.124 -2.294
151 2HZ LYS 18 HZ2 LYS 18 -16.955 7.162 -2.154
152 3HZ LYS 18 HZ3 LYS 18 -16.916 5.709 -1.278
153 H GLN 19 H GLN 19 -14.858 7.169 -2.020
154 HA GLN 19 HA GLN 19 -11.977 6.961 -1.915
155 1HB GLN 19 HB1 GLN 19 -12.642 7.771 0.807
156 2HB GLN 19 HB2 GLN 19 -11.471 8.349 -0.462
157 1HG GLN 19 HG1 GLN 19 -13.179 10.010 -1.309
158 2HG GLN 19 HG2 GLN 19 -14.246 9.510 0.044
159 1HE2 GLN 19 HE21 GLN 19 -11.216 12.096 0.728
160 2HE2 GLN 19 HE22 GLN 19 -11.560 11.471 -0.880
161 H PHE 20 H PHE 20 -11.914 4.888 -2.093
162 HA PHE 20 HA PHE 20 -13.474 3.069 -0.368
163 1HB PHE 20 HB1 PHE 20 -11.451 2.659 -2.697
164 2HB PHE 20 HB2 PHE 20 -12.212 1.284 -1.827
165 HD1 PHE 20 HD1 PHE 20 -14.927 1.559 -1.579
166 HD2 PHE 20 HD2 PHE 20 -12.513 3.196 -4.788
167 HE1 PHE 20 HE1 PHE 20 -16.847 1.485 -3.092
168 HE2 PHE 20 HE2 PHE 20 -14.446 3.050 -6.289
169 HZ PHE 20 HZ PHE 20 -16.621 2.197 -5.458
170 H SER 21 H SER 21 -12.373 1.655 1.150
171 HA SER 21 HA SER 21 -10.134 2.832 2.484
172 1HB SER 21 HB1 SER 21 -12.175 1.632 3.595
173 2HB SER 21 HB2 SER 21 -11.368 0.084 3.190
174 HG SER 21 HG SER 21 -10.444 2.219 4.857
175 H SER 22 H SER 22 -7.986 2.666 2.018
176 HA SER 22 HA SER 22 -6.946 0.043 1.094
177 1HB SER 22 HB1 SER 22 -5.359 1.260 -0.416
178 2HB SER 22 HB2 SER 22 -7.023 1.710 -0.791
179 HG SER 22 HG SER 22 -5.555 3.270 1.033
180 H PHE 23 H PHE 23 -4.793 -0.273 1.307
181 HA PHE 23 HA PHE 23 -3.276 1.303 3.341
182 1HB PHE 23 HB1 PHE 23 -3.543 -1.757 3.390
183 2HB PHE 23 HB2 PHE 23 -2.406 -0.898 4.475
184 HD1 PHE 23 HD1 PHE 23 -5.939 -1.703 3.733
185 HD2 PHE 23 HD2 PHE 23 -3.335 0.583 6.275
186 HE1 PHE 23 HE1 PHE 23 -7.846 -1.190 5.204
187 HE2 PHE 23 HE2 PHE 23 -5.242 1.000 7.828
188 HZ PHE 23 HZ PHE 23 -7.510 0.168 7.261
189 H TYR 24 H TYR 24 -1.061 1.281 3.065
190 HA TYR 24 HA TYR 24 0.095 -0.250 0.846
191 1HB TYR 24 HB1 TYR 24 0.917 1.374 -0.510
192 2HB TYR 24 HB2 TYR 24 -0.626 2.093 -0.060
193 HD1 TYR 24 HD1 TYR 24 -0.642 4.264 1.445
194 HD2 TYR 24 HD2 TYR 24 2.995 2.301 0.115
195 HE1 TYR 24 HE1 TYR 24 0.636 6.239 2.015
196 HE2 TYR 24 HE2 TYR 24 4.281 4.328 0.749
197 HH TYR 24 HH TYR 24 2.738 7.282 1.984
198 H PHE 25 H PHE 25 2.521 -0.506 1.038
199 HA PHE 25 HA PHE 25 3.340 -0.292 3.864
200 1HB PHE 25 HB1 PHE 25 3.376 -2.531 2.552
201 2HB PHE 25 HB2 PHE 25 4.806 -1.910 1.715
202 HD1 PHE 25 HD1 PHE 25 6.878 -1.175 3.067
203 HD2 PHE 25 HD2 PHE 25 3.647 -3.592 4.690
204 HE1 PHE 25 HE1 PHE 25 8.291 -2.031 4.922
205 HE2 PHE 25 HE2 PHE 25 4.938 -4.175 6.590
206 HZ PHE 25 HZ PHE 25 7.361 -3.383 6.714
207 H LYS 26 H LYS 26 5.021 1.031 4.532
208 HA LYS 26 HA LYS 26 6.056 2.883 2.507
209 1HB LYS 26 HB1 LYS 26 5.270 3.223 5.233
210 2HB LYS 26 HB2 LYS 26 6.972 3.729 5.071
211 1HG LYS 26 HG1 LYS 26 4.528 4.739 3.695
212 2HG LYS 26 HG2 LYS 26 5.792 5.372 4.901
213 1HD LYS 26 HD1 LYS 26 6.510 5.126 1.965
214 2HD LYS 26 HD2 LYS 26 5.761 6.543 2.698
215 1HE LYS 26 HE1 LYS 26 8.376 5.386 3.804
216 2HE LYS 26 HE2 LYS 26 8.250 6.699 2.564
217 1HZ LYS 26 HZ1 LYS 26 6.972 8.000 4.109
218 2HZ LYS 26 HZ2 LYS 26 7.069 6.781 5.288
219 3HZ LYS 26 HZ3 LYS 26 8.478 7.577 4.770
220 H TRP 27 H TRP 27 7.694 1.810 1.560
221 HA TRP 27 HA TRP 27 9.796 0.290 2.247
222 1HB TRP 27 HB1 TRP 27 9.646 0.850 0.077
223 2HB TRP 27 HB2 TRP 27 9.090 2.507 0.377
224 HD1 TRP 27 HD1 TRP 27 11.078 4.301 -0.393
225 HE1 TRP 27 HE1 TRP 27 13.485 3.917 -1.285
226 HE3 TRP 27 HE3 TRP 27 11.397 -0.591 0.581
227 HZ2 TRP 27 HZ2 TRP 27 15.375 1.738 -1.373
228 HZ3 TRP 27 HZ3 TRP 27 13.439 -1.844 0.124
229 HH2 TRP 27 HH2 TRP 27 15.456 -0.711 -0.885
230 H THR 28 H THR 28 9.872 3.870 2.851
231 HA THR 28 HA THR 28 12.435 3.554 4.189
232 HB THR 28 HB THR 28 12.329 6.110 4.542
233 HG1 THR 28 HG1 THR 28 11.192 7.035 2.775
234 1HG2 THR 28 HG21 THR 28 12.590 4.780 1.773
235 2HG2 THR 28 HG22 THR 28 13.250 6.390 2.234
236 3HG2 THR 28 HG23 THR 28 13.880 4.909 3.021
237 H ALA 29 H ALA 29 8.971 3.723 5.291
238 HA ALA 29 HA ALA 29 9.894 4.321 7.996
239 1HB ALA 29 HB1 ALA 29 7.632 5.019 7.136
240 2HB ALA 29 HB2 ALA 29 7.127 3.289 7.128
241 3HB ALA 29 HB3 ALA 29 7.587 4.096 8.669
242 H LYS 30 H LYS 30 9.056 1.366 6.161
243 HA LYS 30 HA LYS 30 9.479 -0.761 6.473
244 1HB LYS 30 HB1 LYS 30 11.581 -0.097 7.786
245 2HB LYS 30 HB2 LYS 30 10.660 -0.576 9.229
246 1HG LYS 30 HG1 LYS 30 11.960 -2.444 8.521
247 2HG LYS 30 HG2 LYS 30 10.289 -2.889 8.089
248 1HD LYS 30 HD1 LYS 30 11.779 -3.628 6.337
249 2HD LYS 30 HD2 LYS 30 10.800 -2.283 5.671
250 1HE LYS 30 HE1 LYS 30 13.140 -2.148 4.887
251 2HE LYS 30 HE2 LYS 30 12.788 -0.735 5.949
252 1HZ LYS 30 HZ1 LYS 30 14.191 -3.240 6.744
253 2HZ LYS 30 HZ2 LYS 30 14.907 -1.732 6.432
254 3HZ LYS 30 HZ3 LYS 30 13.864 -1.920 7.760
255 H LYS 31 H LYS 31 7.096 0.754 7.283
256 HA LYS 31 HA LYS 31 5.569 -1.305 8.654
257 1HB LYS 31 HB1 LYS 31 5.858 1.663 9.472
258 2HB LYS 31 HB2 LYS 31 4.441 0.715 10.019
259 1HG LYS 31 HG1 LYS 31 5.852 -0.880 11.209
260 2HG LYS 31 HG2 LYS 31 7.334 0.023 10.763
261 1HD LYS 31 HD1 LYS 31 4.970 1.236 12.324
262 2HD LYS 31 HD2 LYS 31 6.443 0.521 13.062
263 1HE LYS 31 HE1 LYS 31 7.891 2.232 11.959
264 2HE LYS 31 HE2 LYS 31 6.436 2.994 11.200
265 1HZ LYS 31 HZ1 LYS 31 6.917 2.678 14.113
266 2HZ LYS 31 HZ2 LYS 31 7.076 4.103 13.204
267 3HZ LYS 31 HZ3 LYS 31 5.550 3.383 13.394
268 H CYS 32 H CYS 32 3.181 -0.687 8.500
269 HA CYS 32 HA CYS 32 2.519 -0.029 5.741
270 1HB CYS 32 HB1 CYS 32 0.984 -1.234 8.158
271 2HB CYS 32 HB2 CYS 32 0.189 -0.939 6.562
272 H LEU 33 H LEU 33 1.048 1.625 5.120
273 HA LEU 33 HA LEU 33 0.119 3.508 7.209
274 1HB LEU 33 HB1 LEU 33 0.912 4.268 4.337
275 2HB LEU 33 HB2 LEU 33 0.323 5.369 5.618
276 HG LEU 33 HG LEU 33 3.054 3.975 5.472
277 1HD1 LEU 33 HD11 LEU 33 2.702 6.037 4.136
278 2HD1 LEU 33 HD12 LEU 33 2.196 6.944 5.620
279 3HD1 LEU 33 HD13 LEU 33 3.867 6.258 5.493
280 1HD2 LEU 33 HD21 LEU 33 1.858 5.731 7.748
281 2HD2 LEU 33 HD22 LEU 33 2.302 4.000 7.935
282 3HD2 LEU 33 HD23 LEU 33 3.573 5.220 7.622
283 HA PRO 34 HA PRO 34 -3.862 2.924 4.819
284 1HB PRO 34 HB1 PRO 34 -5.503 4.477 6.411
285 2HB PRO 34 HB2 PRO 34 -4.686 3.049 7.129
286 1HG PRO 34 HG1 PRO 34 -3.800 5.970 7.357
287 2HG PRO 34 HG2 PRO 34 -3.985 4.747 8.676
288 1HD PRO 34 HD1 PRO 34 -1.562 5.344 7.230
289 2HD PRO 34 HD2 PRO 34 -1.888 3.801 8.162
290 H PHE 35 H PHE 35 -4.829 3.813 3.259
291 HA PHE 35 HA PHE 35 -4.864 6.735 2.980
292 1HB PHE 35 HB1 PHE 35 -3.814 7.083 0.878
293 2HB PHE 35 HB2 PHE 35 -2.721 6.047 1.799
294 HD1 PHE 35 HD1 PHE 35 -2.700 3.530 1.266
295 HD2 PHE 35 HD2 PHE 35 -4.629 6.404 -1.402
296 HE1 PHE 35 HE1 PHE 35 -2.594 1.946 -0.599
297 HE2 PHE 35 HE2 PHE 35 -4.689 4.702 -3.076
298 HZ PHE 35 HZ PHE 35 -3.618 2.519 -2.788
299 H LEU 36 H LEU 36 -6.161 6.637 0.297
300 HA LEU 36 HA LEU 36 -8.370 4.790 0.672
301 1HB LEU 36 HB1 LEU 36 -8.578 7.887 0.376
302 2HB LEU 36 HB2 LEU 36 -9.977 6.767 0.149
303 HG LEU 36 HG LEU 36 -8.464 7.027 2.793
304 1HD1 LEU 36 HD11 LEU 36 -9.374 9.246 2.208
305 2HD1 LEU 36 HD12 LEU 36 -11.005 8.529 1.964
306 3HD1 LEU 36 HD13 LEU 36 -10.250 8.479 3.582
307 1HD2 LEU 36 HD21 LEU 36 -11.198 5.825 2.010
308 2HD2 LEU 36 HD22 LEU 36 -9.722 4.938 2.555
309 3HD2 LEU 36 HD23 LEU 36 -10.595 6.025 3.695
310 H PHE 37 H PHE 37 -9.350 4.440 -1.382
311 HA PHE 37 HA PHE 37 -7.799 5.414 -3.780
312 1HB PHE 37 HB1 PHE 37 -7.267 3.131 -3.310
313 2HB PHE 37 HB2 PHE 37 -9.030 2.757 -2.998
314 HD1 PHE 37 HD1 PHE 37 -7.809 4.502 -6.257
315 HD2 PHE 37 HD2 PHE 37 -9.046 0.836 -4.275
316 HE1 PHE 37 HE1 PHE 37 -8.433 3.534 -8.374
317 HE2 PHE 37 HE2 PHE 37 -9.453 -0.183 -6.472
318 HZ PHE 37 HZ PHE 37 -9.178 1.180 -8.540
319 H SER 38 H SER 38 -8.854 6.694 -5.368
320 HA SER 38 HA SER 38 -11.759 7.036 -5.114
321 1HB SER 38 HB1 SER 38 -9.751 8.755 -6.723
322 2HB SER 38 HB2 SER 38 -11.493 9.101 -6.504
323 HG SER 38 HG SER 38 -11.052 9.088 -4.201
324 H GLY 39 H GLY 39 -10.330 4.740 -6.704
325 1HA GLY 39 HA1 GLY 39 -11.070 3.456 -8.417
326 2HA GLY 39 HA2 GLY 39 -12.260 4.645 -8.814
327 H CYS 40 H CYS 40 -11.108 6.821 -9.640
328 HA CYS 40 HA CYS 40 -9.982 6.195 -12.212
329 1HB CYS 40 HB1 CYS 40 -10.342 8.975 -10.959
330 2HB CYS 40 HB2 CYS 40 -10.238 8.588 -12.702
331 H GLY 41 H GLY 41 -8.030 5.566 -10.002
332 1HA GLY 41 HA1 GLY 41 -5.764 6.368 -11.339
333 2HA GLY 41 HA2 GLY 41 -5.997 7.576 -10.029
334 H GLY 42 H GLY 42 -6.426 3.962 -10.100
335 1HA GLY 42 HA1 GLY 42 -4.383 3.846 -7.949
336 2HA GLY 42 HA2 GLY 42 -5.655 2.623 -8.322
337 H ASN 43 H ASN 43 -2.385 3.009 -8.470
338 HA ASN 43 HA ASN 43 -1.863 2.214 -11.167
339 1HB ASN 43 HB1 ASN 43 0.512 2.326 -10.395
340 2HB ASN 43 HB2 ASN 43 -0.473 3.751 -10.002
341 1HD2 ASN 43 HD21 ASN 43 1.257 3.463 -6.971
342 2HD2 ASN 43 HD22 ASN 43 1.448 4.063 -8.593
343 H ALA 44 H ALA 44 -1.341 0.530 -8.102
344 HA ALA 44 HA ALA 44 -2.194 -2.044 -8.899
345 1HB ALA 44 HB1 ALA 44 -0.135 -2.038 -10.378
346 2HB ALA 44 HB2 ALA 44 0.893 -1.690 -8.949
347 3HB ALA 44 HB3 ALA 44 0.015 -3.265 -9.101
348 H ASN 45 H ASN 45 -0.543 0.111 -6.575
349 HA ASN 45 HA ASN 45 -0.236 -2.007 -4.594
350 1HB ASN 45 HB1 ASN 45 1.466 -0.229 -5.289
351 2HB ASN 45 HB2 ASN 45 0.538 0.986 -4.374
352 1HD2 ASN 45 HD21 ASN 45 3.101 -0.136 -2.102
353 2HD2 ASN 45 HD22 ASN 45 2.575 1.134 -3.099
354 H ARG 46 H ARG 46 -2.521 -2.422 -3.880
355 HA ARG 46 HA ARG 46 -3.032 -0.873 -1.615
356 1HB ARG 46 HB1 ARG 46 -5.464 -0.618 -1.704
357 2HB ARG 46 HB2 ARG 46 -4.549 0.550 -2.687
358 1HG ARG 46 HG1 ARG 46 -5.999 -1.960 -3.816
359 2HG ARG 46 HG2 ARG 46 -6.798 -0.368 -3.577
360 1HD ARG 46 HD1 ARG 46 -4.390 -0.935 -5.346
361 2HD ARG 46 HD2 ARG 46 -6.084 -0.663 -5.958
362 HE ARG 46 HE ARG 46 -5.781 1.584 -4.466
363 1HH1 ARG 46 HH11 ARG 46 -3.326 0.386 -6.778
364 2HH1 ARG 46 HH12 ARG 46 -2.411 1.836 -6.546
365 1HH2 ARG 46 HH21 ARG 46 -4.773 3.597 -4.874
366 2HH2 ARG 46 HH22 ARG 46 -3.410 3.615 -5.894
367 H PHE 47 H PHE 47 -3.474 -1.951 -0.023
368 HA PHE 47 HA PHE 47 -4.212 -4.812 -0.264
369 1HB PHE 47 HB1 PHE 47 -3.196 -3.132 2.083
370 2HB PHE 47 HB2 PHE 47 -3.253 -4.847 2.169
371 HD1 PHE 47 HD1 PHE 47 -2.053 -5.762 -0.460
372 HD2 PHE 47 HD2 PHE 47 -0.955 -2.297 1.876
373 HE1 PHE 47 HE1 PHE 47 0.125 -5.599 -1.604
374 HE2 PHE 47 HE2 PHE 47 1.228 -2.276 0.802
375 HZ PHE 47 HZ PHE 47 1.760 -3.874 -0.946
376 H GLN 48 H GLN 48 -6.026 -5.633 1.034
377 HA GLN 48 HA GLN 48 -8.204 -3.776 1.177
378 1HB GLN 48 HB1 GLN 48 -9.636 -5.595 1.286
379 2HB GLN 48 HB2 GLN 48 -8.331 -6.107 0.191
380 1HG GLN 48 HG1 GLN 48 -8.831 -7.046 3.115
381 2HG GLN 48 HG2 GLN 48 -9.164 -7.949 1.609
382 1HE2 GLN 48 HE21 GLN 48 -5.955 -9.457 1.907
383 2HE2 GLN 48 HE22 GLN 48 -7.673 -9.713 1.700
384 H THR 49 H THR 49 -6.193 -5.507 3.528
385 HA THR 49 HA THR 49 -7.273 -3.772 5.683
386 HB THR 49 HB THR 49 -7.029 -5.543 7.391
387 HG1 THR 49 HG1 THR 49 -6.704 -7.302 5.180
388 1HG2 THR 49 HG21 THR 49 -9.236 -5.104 6.319
389 2HG2 THR 49 HG22 THR 49 -8.933 -6.410 5.128
390 3HG2 THR 49 HG23 THR 49 -9.045 -6.808 6.875
391 H ILE 50 H ILE 50 -5.662 -3.550 7.502
392 HA ILE 50 HA ILE 50 -3.034 -3.061 6.550
393 HB ILE 50 HB ILE 50 -4.337 -1.680 8.087
394 1HG1 ILE 50 HG11 ILE 50 -1.675 -2.472 9.356
395 2HG1 ILE 50 HG12 ILE 50 -1.819 -1.568 7.803
396 1HG2 ILE 50 HG21 ILE 50 -5.345 -3.545 9.501
397 2HG2 ILE 50 HG22 ILE 50 -3.736 -3.762 10.279
398 3HG2 ILE 50 HG23 ILE 50 -4.618 -2.211 10.446
399 1HD1 ILE 50 HD11 ILE 50 -2.987 -0.603 10.494
400 2HD1 ILE 50 HD12 ILE 50 -1.471 -0.010 9.737
401 3HD1 ILE 50 HD13 ILE 50 -3.047 0.279 8.919
402 H GLY 51 H GLY 51 -4.420 -5.997 7.633
403 1HA GLY 51 HA1 GLY 51 -1.929 -7.075 8.713
404 2HA GLY 51 HA2 GLY 51 -3.511 -7.858 8.596
405 H GLU 52 H GLU 52 -3.354 -6.740 5.603
406 HA GLU 52 HA GLU 52 -2.099 -9.093 4.386
407 1HB GLU 52 HB1 GLU 52 -4.217 -8.356 3.478
408 2HB GLU 52 HB2 GLU 52 -3.687 -6.668 3.419
409 1HG GLU 52 HG1 GLU 52 -3.775 -7.353 1.182
410 2HG GLU 52 HG2 GLU 52 -2.031 -7.268 1.476
411 H CYS 53 H CYS 53 -1.679 -5.580 4.594
412 HA CYS 53 HA CYS 53 0.107 -4.987 2.689
413 1HB CYS 53 HB1 CYS 53 -0.988 -3.255 3.761
414 2HB CYS 53 HB2 CYS 53 -0.635 -3.711 5.391
415 H ARG 54 H ARG 54 1.085 -6.094 5.804
416 HA ARG 54 HA ARG 54 3.919 -6.215 5.554
417 1HB ARG 54 HB1 ARG 54 3.803 -7.142 7.695
418 2HB ARG 54 HB2 ARG 54 2.570 -5.873 7.534
419 1HG ARG 54 HG1 ARG 54 0.955 -7.901 6.829
420 2HG ARG 54 HG2 ARG 54 2.171 -8.903 7.637
421 1HD ARG 54 HD1 ARG 54 1.950 -7.557 9.726
422 2HD ARG 54 HD2 ARG 54 0.701 -6.506 8.916
423 HE ARG 54 HE ARG 54 -0.585 -8.885 8.543
424 1HH1 ARG 54 HH11 ARG 54 1.409 -8.338 11.399
425 2HH1 ARG 54 HH12 ARG 54 0.353 -9.326 12.370
426 1HH2 ARG 54 HH21 ARG 54 -1.496 -10.288 9.571
427 2HH2 ARG 54 HH22 ARG 54 -1.161 -10.638 11.218
428 H LYS 55 H LYS 55 1.488 -8.607 4.325
429 HA LYS 55 HA LYS 55 3.365 -10.842 4.340
430 1HB LYS 55 HB1 LYS 55 0.450 -10.377 3.492
431 2HB LYS 55 HB2 LYS 55 1.325 -11.749 2.748
432 1HG LYS 55 HG1 LYS 55 0.170 -12.702 4.420
433 2HG LYS 55 HG2 LYS 55 1.884 -12.718 4.905
434 1HD LYS 55 HD1 LYS 55 1.373 -10.794 6.521
435 2HD LYS 55 HD2 LYS 55 -0.333 -10.891 5.949
436 1HE LYS 55 HE1 LYS 55 -0.205 -13.444 6.621
437 2HE LYS 55 HE2 LYS 55 1.269 -12.985 7.560
438 1HZ LYS 55 HZ1 LYS 55 -1.466 -11.819 7.823
439 2HZ LYS 55 HZ2 LYS 55 -0.736 -12.935 8.876
440 3HZ LYS 55 HZ3 LYS 55 -0.106 -11.364 8.731
441 H LYS 56 H LYS 56 3.142 -8.111 2.327
442 HA LYS 56 HA LYS 56 4.395 -9.547 0.044
443 1HB LYS 56 HB1 LYS 56 2.354 -7.403 0.252
444 2HB LYS 56 HB2 LYS 56 3.674 -6.943 -0.845
445 1HG LYS 56 HG1 LYS 56 3.453 -8.979 -2.141
446 2HG LYS 56 HG2 LYS 56 2.212 -9.629 -1.124
447 1HD LYS 56 HD1 LYS 56 1.752 -6.918 -2.669
448 2HD LYS 56 HD2 LYS 56 1.614 -8.514 -3.424
449 1HE LYS 56 HE1 LYS 56 -0.077 -7.957 -0.936
450 2HE LYS 56 HE2 LYS 56 -0.622 -7.735 -2.652
451 1HZ LYS 56 HZ1 LYS 56 -0.153 -10.039 -3.069
452 2HZ LYS 56 HZ2 LYS 56 0.369 -10.271 -1.470
453 3HZ LYS 56 HZ3 LYS 56 -1.249 -9.861 -1.783
454 H CYS 57 H CYS 57 4.998 -7.282 2.714
455 HA CYS 57 HA CYS 57 7.582 -6.463 1.513
456 1HB CYS 57 HB1 CYS 57 5.446 -4.690 2.864
457 2HB CYS 57 HB2 CYS 57 7.093 -4.250 2.718
458 H LEU 58 H LEU 58 6.516 -8.333 4.271
459 HA LEU 58 HA LEU 58 9.045 -7.397 5.578
460 1HB LEU 58 HB1 LEU 58 6.349 -7.684 6.868
461 2HB LEU 58 HB2 LEU 58 7.779 -8.177 7.845
462 HG LEU 58 HG LEU 58 7.498 -5.476 6.556
463 1HD1 LEU 58 HD11 LEU 58 5.829 -5.874 8.512
464 2HD1 LEU 58 HD12 LEU 58 7.210 -6.390 9.538
465 3HD1 LEU 58 HD13 LEU 58 7.113 -4.686 8.969
466 1HD2 LEU 58 HD21 LEU 58 9.580 -6.537 8.546
467 2HD2 LEU 58 HD22 LEU 58 9.871 -5.944 6.861
468 3HD2 LEU 58 HD23 LEU 58 9.324 -4.803 8.128
469 H GLY 59 H GLY 59 7.322 -9.960 4.216
470 1HA GLY 59 HA1 GLY 59 7.567 -12.105 4.020
471 2HA GLY 59 HA2 GLY 59 9.109 -12.041 4.985
472 H LYS 60 H LYS 60 5.538 -11.613 5.434
473 HA LYS 60 HA LYS 60 5.706 -13.189 7.912
474 1HB LYS 60 HB1 LYS 60 3.563 -11.118 7.179
475 2HB LYS 60 HB2 LYS 60 3.944 -11.745 8.802
476 1HG LYS 60 HG1 LYS 60 6.332 -10.445 8.291
477 2HG LYS 60 HG2 LYS 60 5.323 -9.629 7.065
478 1HD LYS 60 HD1 LYS 60 5.155 -8.187 8.798
479 2HD LYS 60 HD2 LYS 60 3.657 -9.146 8.997
480 1HE LYS 60 HE1 LYS 60 4.660 -10.485 10.832
481 2HE LYS 60 HE2 LYS 60 6.223 -9.579 10.649
482 1HZ LYS 60 HZ1 LYS 60 3.573 -8.394 11.314
483 2HZ LYS 60 HZ2 LYS 60 4.852 -8.680 12.396
484 3HZ LYS 60 HZ3 LYS 60 5.036 -7.547 11.143
No H/Q in entry = 484
Start of MODEL 7
1 H TRP 1 H TRP 1 13.607 -12.106 4.594
2 HA TRP 1 HA TRP 1 12.423 -12.152 2.093
3 1HB TRP 1 HB1 TRP 1 10.270 -11.976 3.003
4 2HB TRP 1 HB2 TRP 1 10.681 -10.920 4.358
5 HD1 TRP 1 HD1 TRP 1 9.094 -10.573 0.912
6 HE1 TRP 1 HE1 TRP 1 8.700 -8.166 0.472
7 HE3 TRP 1 HE3 TRP 1 11.937 -8.649 4.741
8 HZ2 TRP 1 HZ2 TRP 1 9.665 -5.672 1.454
9 HZ3 TRP 1 HZ3 TRP 1 12.119 -6.202 4.942
10 HH2 TRP 1 HH2 TRP 1 11.023 -4.717 3.284
11 H GLN 2 H GLN 2 12.786 -10.141 0.966
12 HA GLN 2 HA GLN 2 14.319 -7.962 2.026
13 1HB GLN 2 HB1 GLN 2 15.308 -9.793 -0.269
14 2HB GLN 2 HB2 GLN 2 15.937 -8.142 -0.016
15 1HG GLN 2 HG1 GLN 2 16.328 -10.508 1.937
16 2HG GLN 2 HG2 GLN 2 17.540 -9.787 0.824
17 1HE2 GLN 2 HE21 GLN 2 16.686 -7.867 4.342
18 2HE2 GLN 2 HE22 GLN 2 15.605 -9.142 3.788
19 HA PRO 3 HA PRO 3 10.957 -6.716 -0.251
20 1HB PRO 3 HB1 PRO 3 11.090 -4.209 -0.783
21 2HB PRO 3 HB2 PRO 3 11.430 -4.653 0.803
22 1HG PRO 3 HG1 PRO 3 13.800 -4.432 -1.130
23 2HG PRO 3 HG2 PRO 3 13.648 -3.585 0.441
24 1HD PRO 3 HD1 PRO 3 14.945 -5.956 0.222
25 2HD PRO 3 HD2 PRO 3 13.787 -5.721 1.623
26 HA PRO 4 HA PRO 4 11.471 -7.386 -4.774
27 1HB PRO 4 HB1 PRO 4 8.492 -8.086 -4.461
28 2HB PRO 4 HB2 PRO 4 9.812 -8.996 -5.285
29 1HG PRO 4 HG1 PRO 4 8.950 -9.843 -2.803
30 2HG PRO 4 HG2 PRO 4 10.691 -9.672 -3.134
31 1HD PRO 4 HD1 PRO 4 9.104 -7.360 -1.644
32 2HD PRO 4 HD2 PRO 4 10.456 -8.436 -1.237
33 H TRP 5 H TRP 5 8.148 -6.521 -5.234
34 HA TRP 5 HA TRP 5 8.915 -3.918 -6.325
35 1HB TRP 5 HB1 TRP 5 6.633 -3.789 -7.452
36 2HB TRP 5 HB2 TRP 5 7.844 -4.938 -7.993
37 HD1 TRP 5 HD1 TRP 5 7.372 -7.523 -7.835
38 HE1 TRP 5 HE1 TRP 5 5.042 -8.731 -7.785
39 HE3 TRP 5 HE3 TRP 5 4.005 -4.238 -5.932
40 HZ2 TRP 5 HZ2 TRP 5 2.364 -8.118 -8.207
41 HZ3 TRP 5 HZ3 TRP 5 1.765 -4.298 -6.429
42 HH2 TRP 5 HH2 TRP 5 0.826 -6.281 -7.585
43 H TYR 6 H TYR 6 5.937 -4.822 -4.794
44 HA TYR 6 HA TYR 6 4.559 -2.733 -4.319
45 1HB TYR 6 HB1 TYR 6 4.393 -4.484 -1.859
46 2HB TYR 6 HB2 TYR 6 3.206 -4.165 -3.146
47 HD1 TYR 6 HD1 TYR 6 6.335 -6.162 -2.340
48 HD2 TYR 6 HD2 TYR 6 2.753 -5.872 -4.651
49 HE1 TYR 6 HE1 TYR 6 6.655 -8.512 -3.312
50 HE2 TYR 6 HE2 TYR 6 3.151 -8.142 -5.586
51 HH TYR 6 HH TYR 6 5.828 -10.156 -4.494
52 H CYS 7 H CYS 7 6.906 -3.510 -1.774
53 HA CYS 7 HA CYS 7 6.395 -1.673 -0.007
54 1HB CYS 7 HB1 CYS 7 9.287 -2.423 -0.408
55 2HB CYS 7 HB2 CYS 7 8.428 -2.621 1.043
56 H LYS 8 H LYS 8 8.404 -1.366 -2.942
57 HA LYS 8 HA LYS 8 9.115 1.437 -2.407
58 1HB LYS 8 HB1 LYS 8 10.293 -0.502 -4.517
59 2HB LYS 8 HB2 LYS 8 10.969 1.047 -3.937
60 1HG LYS 8 HG1 LYS 8 12.190 -0.151 -2.415
61 2HG LYS 8 HG2 LYS 8 10.690 -0.675 -1.628
62 1HD LYS 8 HD1 LYS 8 11.469 -2.746 -2.114
63 2HD LYS 8 HD2 LYS 8 10.602 -2.475 -3.654
64 1HE LYS 8 HE1 LYS 8 12.797 -3.413 -4.135
65 2HE LYS 8 HE2 LYS 8 12.869 -1.670 -4.630
66 1HZ LYS 8 HZ1 LYS 8 13.827 -2.840 -2.059
67 2HZ LYS 8 HZ2 LYS 8 14.792 -2.355 -3.370
68 3HZ LYS 8 HZ3 LYS 8 13.904 -1.200 -2.495
69 H GLU 9 H GLU 9 6.419 0.147 -3.695
70 HA GLU 9 HA GLU 9 6.586 0.882 -6.499
71 1HB GLU 9 HB1 GLU 9 5.749 -1.208 -5.757
72 2HB GLU 9 HB2 GLU 9 4.415 -0.400 -4.949
73 1HG GLU 9 HG1 GLU 9 3.562 -1.043 -7.031
74 2HG GLU 9 HG2 GLU 9 3.871 0.642 -7.454
75 HA PRO 10 HA PRO 10 5.163 4.887 -5.373
76 1HB PRO 10 HB1 PRO 10 4.128 5.275 -8.227
77 2HB PRO 10 HB2 PRO 10 5.200 6.352 -7.244
78 1HG PRO 10 HG1 PRO 10 6.245 4.716 -9.122
79 2HG PRO 10 HG2 PRO 10 7.052 4.753 -7.495
80 1HD PRO 10 HD1 PRO 10 4.947 2.711 -8.465
81 2HD PRO 10 HD2 PRO 10 6.562 2.371 -7.753
82 H VAL 11 H VAL 11 3.388 5.591 -4.073
83 HA VAL 11 HA VAL 11 0.795 4.565 -4.300
84 HB VAL 11 HB VAL 11 1.922 4.994 -2.248
85 1HG1 VAL 11 HG11 VAL 11 3.251 7.057 -2.825
86 2HG1 VAL 11 HG12 VAL 11 1.733 8.026 -2.859
87 3HG1 VAL 11 HG13 VAL 11 2.289 7.268 -1.330
88 1HG2 VAL 11 HG21 VAL 11 -0.555 4.929 -2.226
89 2HG2 VAL 11 HG22 VAL 11 0.094 6.012 -0.961
90 3HG2 VAL 11 HG23 VAL 11 -0.629 6.726 -2.440
91 H ARG 12 H ARG 12 -1.212 5.449 -4.896
92 HA ARG 12 HA ARG 12 -1.337 7.982 -6.455
93 1HB ARG 12 HB1 ARG 12 -2.033 5.222 -7.470
94 2HB ARG 12 HB2 ARG 12 -2.635 6.753 -8.193
95 1HG ARG 12 HG1 ARG 12 -0.125 7.446 -8.402
96 2HG ARG 12 HG2 ARG 12 0.140 5.720 -7.926
97 1HD ARG 12 HD1 ARG 12 -1.477 5.132 -9.974
98 2HD ARG 12 HD2 ARG 12 -1.795 6.933 -9.977
99 HE ARG 12 HE ARG 12 0.985 6.495 -10.755
100 1HH1 ARG 12 HH11 ARG 12 -2.297 6.400 -11.904
101 2HH1 ARG 12 HH12 ARG 12 -1.813 6.956 -13.499
102 1HH2 ARG 12 HH21 ARG 12 1.588 7.045 -12.741
103 2HH2 ARG 12 HH22 ARG 12 0.387 7.283 -13.964
104 H ILE 13 H ILE 13 -3.267 9.055 -5.502
105 HA ILE 13 HA ILE 13 -5.370 7.421 -4.344
106 HB ILE 13 HB ILE 13 -4.436 9.377 -3.183
107 1HG1 ILE 13 HG11 ILE 13 -7.471 9.391 -3.699
108 2HG1 ILE 13 HG12 ILE 13 -6.584 8.128 -2.809
109 1HG2 ILE 13 HG21 ILE 13 -4.579 11.155 -5.080
110 2HG2 ILE 13 HG22 ILE 13 -6.390 10.960 -4.922
111 3HG2 ILE 13 HG23 ILE 13 -5.386 11.538 -3.538
112 1HD1 ILE 13 HD11 ILE 13 -6.744 11.105 -1.940
113 2HD1 ILE 13 HD12 ILE 13 -7.738 9.773 -1.257
114 3HD1 ILE 13 HD13 ILE 13 -5.941 9.748 -1.047
115 H GLY 14 H GLY 14 -4.865 9.334 -7.146
116 1HA GLY 14 HA1 GLY 14 -5.980 9.198 -9.185
117 2HA GLY 14 HA2 GLY 14 -7.367 8.418 -8.388
118 H SER 15 H SER 15 -8.563 10.011 -6.805
119 HA SER 15 HA SER 15 -9.881 11.723 -6.512
120 1HB SER 15 HB1 SER 15 -8.152 13.416 -8.404
121 2HB SER 15 HB2 SER 15 -9.553 14.036 -7.458
122 HG SER 15 HG SER 15 -7.129 13.938 -6.641
123 H CYS 16 H CYS 16 -11.247 10.010 -7.688
124 HA CYS 16 HA CYS 16 -12.355 11.169 -10.175
125 1HB CYS 16 HB1 CYS 16 -12.065 8.175 -9.471
126 2HB CYS 16 HB2 CYS 16 -12.776 8.852 -10.919
127 H LYS 17 H LYS 17 -12.952 8.812 -7.680
128 HA LYS 17 HA LYS 17 -15.841 9.125 -7.865
129 1HB LYS 17 HB1 LYS 17 -14.112 7.063 -6.321
130 2HB LYS 17 HB2 LYS 17 -15.902 6.962 -6.604
131 1HG LYS 17 HG1 LYS 17 -13.663 6.692 -8.703
132 2HG LYS 17 HG2 LYS 17 -14.700 5.449 -7.967
133 1HD LYS 17 HD1 LYS 17 -16.707 6.956 -8.874
134 2HD LYS 17 HD2 LYS 17 -15.456 7.649 -9.961
135 1HE LYS 17 HE1 LYS 17 -16.270 4.686 -9.635
136 2HE LYS 17 HE2 LYS 17 -16.716 5.752 -11.035
137 1HZ LYS 17 HZ1 LYS 17 -13.961 4.945 -10.244
138 2HZ LYS 17 HZ2 LYS 17 -14.861 4.326 -11.545
139 3HZ LYS 17 HZ3 LYS 17 -14.371 5.952 -11.549
140 H LYS 18 H LYS 18 -14.139 8.279 -4.935
141 HA LYS 18 HA LYS 18 -15.080 10.491 -3.302
142 1HB LYS 18 HB1 LYS 18 -17.035 8.925 -3.317
143 2HB LYS 18 HB2 LYS 18 -15.964 7.539 -3.031
144 1HG LYS 18 HG1 LYS 18 -17.325 7.993 -1.115
145 2HG LYS 18 HG2 LYS 18 -15.641 8.257 -0.645
146 1HD LYS 18 HD1 LYS 18 -16.027 10.806 -1.003
147 2HD LYS 18 HD2 LYS 18 -17.763 10.422 -1.267
148 1HE LYS 18 HE1 LYS 18 -17.864 9.477 1.122
149 2HE LYS 18 HE2 LYS 18 -16.130 9.957 1.331
150 1HZ LYS 18 HZ1 LYS 18 -16.775 12.229 0.908
151 2HZ LYS 18 HZ2 LYS 18 -18.398 11.773 0.699
152 3HZ LYS 18 HZ3 LYS 18 -17.647 11.571 2.209
153 H GLN 19 H GLN 19 -14.097 9.360 -0.857
154 HA GLN 19 HA GLN 19 -11.460 8.232 -1.534
155 1HB GLN 19 HB1 GLN 19 -11.655 9.782 1.051
156 2HB GLN 19 HB2 GLN 19 -10.363 9.564 -0.170
157 1HG GLN 19 HG1 GLN 19 -10.770 11.823 -0.161
158 2HG GLN 19 HG2 GLN 19 -11.533 11.272 -1.685
159 1HE2 GLN 19 HE21 GLN 19 -13.926 13.615 -0.081
160 2HE2 GLN 19 HE22 GLN 19 -12.442 13.643 -1.010
161 H PHE 20 H PHE 20 -11.731 6.088 -1.178
162 HA PHE 20 HA PHE 20 -13.446 5.060 0.975
163 1HB PHE 20 HB1 PHE 20 -11.886 3.627 -1.289
164 2HB PHE 20 HB2 PHE 20 -13.170 2.880 -0.268
165 HD1 PHE 20 HD1 PHE 20 -15.358 4.896 -0.289
166 HD2 PHE 20 HD2 PHE 20 -12.722 3.650 -3.498
167 HE1 PHE 20 HE1 PHE 20 -17.082 5.428 -1.931
168 HE2 PHE 20 HE2 PHE 20 -14.475 4.182 -5.120
169 HZ PHE 20 HZ PHE 20 -16.657 5.083 -4.366
170 H SER 21 H SER 21 -12.569 3.694 2.688
171 HA SER 21 HA SER 21 -9.906 4.248 3.497
172 1HB SER 21 HB1 SER 21 -11.874 3.918 5.082
173 2HB SER 21 HB2 SER 21 -11.737 2.153 4.800
174 HG SER 21 HG SER 21 -9.881 3.951 6.014
175 H SER 22 H SER 22 -8.080 3.442 2.824
176 HA SER 22 HA SER 22 -7.827 0.587 2.100
177 1HB SER 22 HB1 SER 22 -6.256 1.264 0.282
178 2HB SER 22 HB2 SER 22 -7.652 2.282 0.100
179 HG SER 22 HG SER 22 -6.262 3.682 1.745
180 H PHE 23 H PHE 23 -5.237 0.519 1.712
181 HA PHE 23 HA PHE 23 -3.502 1.356 3.848
182 1HB PHE 23 HB1 PHE 23 -4.346 -1.493 3.399
183 2HB PHE 23 HB2 PHE 23 -2.689 -1.379 3.930
184 HD1 PHE 23 HD1 PHE 23 -2.281 0.058 6.094
185 HD2 PHE 23 HD2 PHE 23 -6.177 -1.320 4.954
186 HE1 PHE 23 HE1 PHE 23 -3.067 0.396 8.413
187 HE2 PHE 23 HE2 PHE 23 -6.967 -1.054 7.303
188 HZ PHE 23 HZ PHE 23 -5.408 -0.179 9.032
189 H TYR 24 H TYR 24 -1.344 1.262 3.245
190 HA TYR 24 HA TYR 24 -0.483 0.164 0.678
191 1HB TYR 24 HB1 TYR 24 0.410 1.996 -0.398
192 2HB TYR 24 HB2 TYR 24 -1.216 2.507 0.094
193 HD1 TYR 24 HD1 TYR 24 -1.355 3.976 2.326
194 HD2 TYR 24 HD2 TYR 24 2.268 3.340 0.105
195 HE1 TYR 24 HE1 TYR 24 -0.427 6.030 3.282
196 HE2 TYR 24 HE2 TYR 24 3.267 5.357 1.185
197 HH TYR 24 HH TYR 24 1.339 7.536 3.224
198 H PHE 25 H PHE 25 1.975 -0.243 0.531
199 HA PHE 25 HA PHE 25 3.165 -0.240 3.240
200 1HB PHE 25 HB1 PHE 25 3.082 -2.469 1.802
201 2HB PHE 25 HB2 PHE 25 4.407 -1.757 0.849
202 HD1 PHE 25 HD1 PHE 25 6.669 -1.174 2.194
203 HD2 PHE 25 HD2 PHE 25 3.433 -3.512 3.855
204 HE1 PHE 25 HE1 PHE 25 8.027 -1.825 4.195
205 HE2 PHE 25 HE2 PHE 25 4.696 -4.080 5.762
206 HZ PHE 25 HZ PHE 25 7.081 -3.181 5.966
207 H LYS 26 H LYS 26 4.526 1.463 3.720
208 HA LYS 26 HA LYS 26 5.654 3.065 1.573
209 1HB LYS 26 HB1 LYS 26 4.111 4.088 3.160
210 2HB LYS 26 HB2 LYS 26 4.972 3.357 4.532
211 1HG LYS 26 HG1 LYS 26 5.165 5.490 4.346
212 2HG LYS 26 HG2 LYS 26 6.873 4.935 4.225
213 1HD LYS 26 HD1 LYS 26 7.168 6.079 2.183
214 2HD LYS 26 HD2 LYS 26 5.534 5.606 1.576
215 1HE LYS 26 HE1 LYS 26 4.503 7.295 2.992
216 2HE LYS 26 HE2 LYS 26 6.112 7.885 3.579
217 1HZ LYS 26 HZ1 LYS 26 5.182 7.866 0.747
218 2HZ LYS 26 HZ2 LYS 26 5.305 9.221 1.762
219 3HZ LYS 26 HZ3 LYS 26 6.705 8.383 1.291
220 H TRP 27 H TRP 27 7.679 2.237 1.028
221 HA TRP 27 HA TRP 27 9.454 0.738 2.215
222 1HB TRP 27 HB1 TRP 27 9.522 1.383 -0.125
223 2HB TRP 27 HB2 TRP 27 9.514 3.111 0.238
224 HD1 TRP 27 HD1 TRP 27 11.732 4.006 -0.665
225 HE1 TRP 27 HE1 TRP 27 14.193 3.148 -0.765
226 HE3 TRP 27 HE3 TRP 27 10.968 -0.481 1.303
227 HZ2 TRP 27 HZ2 TRP 27 15.642 0.846 0.162
228 HZ3 TRP 27 HZ3 TRP 27 12.883 -1.960 1.958
229 HH2 TRP 27 HH2 TRP 27 15.190 -1.363 1.257
230 H THR 28 H THR 28 9.520 4.328 2.529
231 HA THR 28 HA THR 28 11.847 4.251 4.198
232 HB THR 28 HB THR 28 11.516 6.825 4.290
233 HG1 THR 28 HG1 THR 28 10.266 7.564 2.552
234 1HG2 THR 28 HG21 THR 28 13.164 5.597 2.857
235 2HG2 THR 28 HG22 THR 28 11.894 5.360 1.605
236 3HG2 THR 28 HG23 THR 28 12.468 7.019 2.006
237 H ALA 29 H ALA 29 8.806 3.455 4.978
238 HA ALA 29 HA ALA 29 8.956 4.555 7.749
239 1HB ALA 29 HB1 ALA 29 6.517 3.316 6.279
240 2HB ALA 29 HB2 ALA 29 6.545 3.950 7.975
241 3HB ALA 29 HB3 ALA 29 6.800 5.060 6.592
242 H LYS 30 H LYS 30 8.398 1.666 5.756
243 HA LYS 30 HA LYS 30 8.991 -0.401 5.863
244 1HB LYS 30 HB1 LYS 30 11.142 0.403 7.143
245 2HB LYS 30 HB2 LYS 30 10.380 -0.413 8.527
246 1HG LYS 30 HG1 LYS 30 11.725 -2.082 7.505
247 2HG LYS 30 HG2 LYS 30 10.105 -2.480 6.881
248 1HD LYS 30 HD1 LYS 30 11.531 -2.664 4.988
249 2HD LYS 30 HD2 LYS 30 10.752 -1.064 4.765
250 1HE LYS 30 HE1 LYS 30 13.113 -0.866 4.195
251 2HE LYS 30 HE2 LYS 30 12.877 0.020 5.751
252 1HZ LYS 30 HZ1 LYS 30 13.912 -2.755 5.427
253 2HZ LYS 30 HZ2 LYS 30 14.824 -1.366 5.776
254 3HZ LYS 30 HZ3 LYS 30 13.690 -1.943 6.901
255 H LYS 31 H LYS 31 6.544 0.722 6.912
256 HA LYS 31 HA LYS 31 5.403 -1.673 8.044
257 1HB LYS 31 HB1 LYS 31 6.195 -0.298 10.023
258 2HB LYS 31 HB2 LYS 31 5.215 1.085 9.472
259 1HG LYS 31 HG1 LYS 31 3.126 -0.229 9.967
260 2HG LYS 31 HG2 LYS 31 4.142 -1.695 10.315
261 1HD LYS 31 HD1 LYS 31 5.181 -0.475 12.227
262 2HD LYS 31 HD2 LYS 31 4.130 0.943 11.871
263 1HE LYS 31 HE1 LYS 31 2.077 -0.466 12.270
264 2HE LYS 31 HE2 LYS 31 3.133 -1.892 12.641
265 1HZ LYS 31 HZ1 LYS 31 3.104 0.696 14.099
266 2HZ LYS 31 HZ2 LYS 31 2.407 -0.766 14.611
267 3HZ LYS 31 HZ3 LYS 31 4.092 -0.641 14.445
268 H CYS 32 H CYS 32 2.994 -1.479 7.889
269 HA CYS 32 HA CYS 32 2.068 -0.247 5.478
270 1HB CYS 32 HB1 CYS 32 0.756 -1.931 7.723
271 2HB CYS 32 HB2 CYS 32 -0.129 -1.473 6.220
272 H LEU 33 H LEU 33 0.893 1.605 5.205
273 HA LEU 33 HA LEU 33 -0.187 2.959 7.607
274 1HB LEU 33 HB1 LEU 33 0.935 4.239 5.051
275 2HB LEU 33 HB2 LEU 33 0.268 5.126 6.461
276 HG LEU 33 HG LEU 33 2.804 3.401 6.463
277 1HD1 LEU 33 HD11 LEU 33 2.920 5.485 5.132
278 2HD1 LEU 33 HD12 LEU 33 2.394 6.451 6.560
279 3HD1 LEU 33 HD13 LEU 33 3.976 5.578 6.602
280 1HD2 LEU 33 HD21 LEU 33 1.585 5.185 8.683
281 2HD2 LEU 33 HD22 LEU 33 1.736 3.386 8.740
282 3HD2 LEU 33 HD23 LEU 33 3.210 4.409 8.724
283 HA PRO 34 HA PRO 34 -3.985 2.994 4.971
284 1HB PRO 34 HB1 PRO 34 -5.680 4.311 6.618
285 2HB PRO 34 HB2 PRO 34 -4.937 2.751 7.108
286 1HG PRO 34 HG1 PRO 34 -4.062 5.557 7.972
287 2HG PRO 34 HG2 PRO 34 -4.293 4.093 9.012
288 1HD PRO 34 HD1 PRO 34 -1.813 4.999 7.789
289 2HD PRO 34 HD2 PRO 34 -2.133 3.327 8.459
290 H PHE 35 H PHE 35 -4.202 4.062 3.185
291 HA PHE 35 HA PHE 35 -4.308 7.029 3.282
292 1HB PHE 35 HB1 PHE 35 -3.420 7.438 1.199
293 2HB PHE 35 HB2 PHE 35 -2.286 6.257 1.886
294 HD1 PHE 35 HD1 PHE 35 -3.324 3.585 1.199
295 HD2 PHE 35 HD2 PHE 35 -3.772 7.244 -1.141
296 HE1 PHE 35 HE1 PHE 35 -3.664 2.285 -0.794
297 HE2 PHE 35 HE2 PHE 35 -4.106 5.862 -3.092
298 HZ PHE 35 HZ PHE 35 -4.163 3.386 -2.933
299 H LEU 36 H LEU 36 -5.821 7.359 0.856
300 HA LEU 36 HA LEU 36 -8.147 5.620 1.284
301 1HB LEU 36 HB1 LEU 36 -7.962 8.656 0.535
302 2HB LEU 36 HB2 LEU 36 -9.423 7.675 0.522
303 HG LEU 36 HG LEU 36 -7.781 7.980 3.079
304 1HD1 LEU 36 HD11 LEU 36 -8.142 10.292 2.281
305 2HD1 LEU 36 HD12 LEU 36 -9.923 10.020 2.226
306 3HD1 LEU 36 HD13 LEU 36 -9.047 9.915 3.785
307 1HD2 LEU 36 HD21 LEU 36 -9.577 6.261 3.039
308 2HD2 LEU 36 HD22 LEU 36 -9.937 7.575 4.206
309 3HD2 LEU 36 HD23 LEU 36 -10.802 7.522 2.627
310 H PHE 37 H PHE 37 -9.234 5.139 -0.653
311 HA PHE 37 HA PHE 37 -7.633 5.599 -3.186
312 1HB PHE 37 HB1 PHE 37 -7.487 3.261 -2.562
313 2HB PHE 37 HB2 PHE 37 -9.290 3.185 -2.305
314 HD1 PHE 37 HD1 PHE 37 -7.152 4.426 -5.461
315 HD2 PHE 37 HD2 PHE 37 -10.261 1.839 -3.810
316 HE1 PHE 37 HE1 PHE 37 -7.530 3.434 -7.609
317 HE2 PHE 37 HE2 PHE 37 -10.667 0.985 -6.088
318 HZ PHE 37 HZ PHE 37 -9.162 1.646 -7.937
319 H SER 38 H SER 38 -8.610 6.602 -4.945
320 HA SER 38 HA SER 38 -11.522 7.060 -4.800
321 1HB SER 38 HB1 SER 38 -9.838 9.014 -4.684
322 2HB SER 38 HB2 SER 38 -9.564 8.709 -6.442
323 HG SER 38 HG SER 38 -11.981 9.313 -5.065
324 H GLY 39 H GLY 39 -10.484 4.523 -5.940
325 1HA GLY 39 HA1 GLY 39 -11.338 3.146 -7.394
326 2HA GLY 39 HA2 GLY 39 -12.467 4.314 -7.853
327 H CYS 40 H CYS 40 -10.692 6.063 -9.245
328 HA CYS 40 HA CYS 40 -9.542 4.415 -11.424
329 1HB CYS 40 HB1 CYS 40 -10.703 5.447 -13.019
330 2HB CYS 40 HB2 CYS 40 -11.804 5.903 -11.721
331 H GLY 41 H GLY 41 -7.658 5.698 -12.499
332 1HA GLY 41 HA1 GLY 41 -5.809 7.207 -12.284
333 2HA GLY 41 HA2 GLY 41 -6.382 7.657 -10.677
334 H GLY 42 H GLY 42 -6.433 4.898 -9.610
335 1HA GLY 42 HA1 GLY 42 -3.928 4.666 -8.517
336 2HA GLY 42 HA2 GLY 42 -5.225 3.443 -8.561
337 H ASN 43 H ASN 43 -3.094 2.235 -8.176
338 HA ASN 43 HA ASN 43 -2.367 1.053 -10.777
339 1HB ASN 43 HB1 ASN 43 0.056 0.936 -10.345
340 2HB ASN 43 HB2 ASN 43 -0.587 2.573 -10.587
341 1HD2 ASN 43 HD21 ASN 43 1.325 3.582 -7.871
342 2HD2 ASN 43 HD22 ASN 43 0.622 3.932 -9.454
343 H ALA 44 H ALA 44 -0.552 0.096 -7.991
344 HA ALA 44 HA ALA 44 -2.279 -2.226 -7.491
345 1HB ALA 44 HB1 ALA 44 -1.188 -2.806 -9.660
346 2HB ALA 44 HB2 ALA 44 0.428 -2.612 -8.905
347 3HB ALA 44 HB3 ALA 44 -0.720 -3.921 -8.363
348 H ASN 45 H ASN 45 -0.231 0.071 -6.158
349 HA ASN 45 HA ASN 45 0.853 -1.818 -4.124
350 1HB ASN 45 HB1 ASN 45 2.283 0.084 -5.066
351 2HB ASN 45 HB2 ASN 45 1.231 1.257 -4.268
352 1HD2 ASN 45 HD21 ASN 45 3.631 0.960 -1.560
353 2HD2 ASN 45 HD22 ASN 45 3.439 1.765 -3.110
354 H ARG 46 H ARG 46 -1.823 -1.993 -4.056
355 HA ARG 46 HA ARG 46 -2.627 -0.531 -1.653
356 1HB ARG 46 HB1 ARG 46 -4.822 0.100 -2.481
357 2HB ARG 46 HB2 ARG 46 -3.556 0.858 -3.461
358 1HG ARG 46 HG1 ARG 46 -4.602 -1.758 -4.590
359 2HG ARG 46 HG2 ARG 46 -5.712 -0.370 -4.541
360 1HD ARG 46 HD1 ARG 46 -2.854 -0.122 -5.709
361 2HD ARG 46 HD2 ARG 46 -4.256 -0.687 -6.719
362 HE ARG 46 HE ARG 46 -5.408 1.418 -5.664
363 1HH1 ARG 46 HH11 ARG 46 -1.873 1.927 -6.304
364 2HH1 ARG 46 HH12 ARG 46 -2.203 3.613 -6.245
365 1HH2 ARG 46 HH21 ARG 46 -5.597 3.351 -5.761
366 2HH2 ARG 46 HH22 ARG 46 -4.199 4.395 -5.768
367 H PHE 47 H PHE 47 -3.979 -1.529 -0.357
368 HA PHE 47 HA PHE 47 -4.375 -4.440 -0.708
369 1HB PHE 47 HB1 PHE 47 -3.306 -2.662 1.591
370 2HB PHE 47 HB2 PHE 47 -3.396 -4.389 1.816
371 HD1 PHE 47 HD1 PHE 47 -2.139 -5.651 -0.564
372 HD2 PHE 47 HD2 PHE 47 -1.218 -1.830 1.148
373 HE1 PHE 47 HE1 PHE 47 0.096 -5.640 -1.683
374 HE2 PHE 47 HE2 PHE 47 0.968 -1.842 -0.009
375 HZ PHE 47 HZ PHE 47 1.621 -3.754 -1.386
376 H GLN 48 H GLN 48 -6.537 -5.091 -0.050
377 HA GLN 48 HA GLN 48 -8.400 -3.038 0.535
378 1HB GLN 48 HB1 GLN 48 -10.097 -4.542 0.050
379 2HB GLN 48 HB2 GLN 48 -8.731 -5.189 -0.888
380 1HG GLN 48 HG1 GLN 48 -9.988 -6.239 1.763
381 2HG GLN 48 HG2 GLN 48 -10.096 -6.982 0.143
382 1HE2 GLN 48 HE21 GLN 48 -6.728 -8.332 0.338
383 2HE2 GLN 48 HE22 GLN 48 -7.892 -7.726 -0.814
384 H THR 49 H THR 49 -6.486 -4.797 2.714
385 HA THR 49 HA THR 49 -7.779 -3.637 5.021
386 HB THR 49 HB THR 49 -7.604 -5.761 6.374
387 HG1 THR 49 HG1 THR 49 -7.451 -7.100 3.840
388 1HG2 THR 49 HG21 THR 49 -9.815 -5.024 5.459
389 2HG2 THR 49 HG22 THR 49 -9.542 -6.034 4.000
390 3HG2 THR 49 HG23 THR 49 -9.673 -6.816 5.616
391 H ILE 50 H ILE 50 -5.931 -4.436 6.986
392 HA ILE 50 HA ILE 50 -3.428 -3.520 5.944
393 HB ILE 50 HB ILE 50 -4.383 -2.842 8.111
394 1HG1 ILE 50 HG11 ILE 50 -1.562 -4.067 8.267
395 2HG1 ILE 50 HG12 ILE 50 -2.021 -2.507 7.479
396 1HG2 ILE 50 HG21 ILE 50 -5.231 -5.148 8.857
397 2HG2 ILE 50 HG22 ILE 50 -3.516 -5.589 9.211
398 3HG2 ILE 50 HG23 ILE 50 -4.298 -4.238 10.086
399 1HD1 ILE 50 HD11 ILE 50 -2.952 -1.763 9.775
400 2HD1 ILE 50 HD12 ILE 50 -2.142 -3.209 10.477
401 3HD1 ILE 50 HD13 ILE 50 -1.165 -1.932 9.675
402 H GLY 51 H GLY 51 -4.799 -6.706 6.541
403 1HA GLY 51 HA1 GLY 51 -2.172 -7.943 6.835
404 2HA GLY 51 HA2 GLY 51 -3.748 -8.692 6.977
405 H GLU 52 H GLU 52 -3.209 -6.797 4.285
406 HA GLU 52 HA GLU 52 -2.376 -9.016 2.474
407 1HB GLU 52 HB1 GLU 52 -4.728 -7.977 2.187
408 2HB GLU 52 HB2 GLU 52 -3.935 -6.446 1.781
409 1HG GLU 52 HG1 GLU 52 -4.486 -7.409 -0.344
410 2HG GLU 52 HG2 GLU 52 -2.734 -7.786 -0.184
411 H CYS 53 H CYS 53 -1.475 -6.061 4.003
412 HA CYS 53 HA CYS 53 0.335 -5.091 1.968
413 1HB CYS 53 HB1 CYS 53 -1.096 -3.534 3.012
414 2HB CYS 53 HB2 CYS 53 -0.784 -4.053 4.643
415 H ARG 54 H ARG 54 0.770 -6.575 5.165
416 HA ARG 54 HA ARG 54 3.681 -6.258 5.174
417 1HB ARG 54 HB1 ARG 54 3.752 -6.808 7.304
418 2HB ARG 54 HB2 ARG 54 2.370 -5.706 7.092
419 1HG ARG 54 HG1 ARG 54 2.009 -8.764 7.522
420 2HG ARG 54 HG2 ARG 54 2.171 -7.496 8.786
421 1HD ARG 54 HD1 ARG 54 0.128 -6.301 7.679
422 2HD ARG 54 HD2 ARG 54 -0.105 -7.889 6.842
423 HE ARG 54 HE ARG 54 -0.546 -8.957 8.943
424 1HH1 ARG 54 HH11 ARG 54 0.714 -5.882 9.495
425 2HH1 ARG 54 HH12 ARG 54 0.187 -5.653 11.147
426 1HH2 ARG 54 HH21 ARG 54 -1.363 -8.771 11.155
427 2HH2 ARG 54 HH22 ARG 54 -1.020 -7.343 12.071
428 H LYS 55 H LYS 55 1.530 -8.839 4.316
429 HA LYS 55 HA LYS 55 3.429 -10.979 4.328
430 1HB LYS 55 HB1 LYS 55 1.018 -11.142 4.614
431 2HB LYS 55 HB2 LYS 55 0.676 -10.639 2.933
432 1HG LYS 55 HG1 LYS 55 1.583 -12.731 2.059
433 2HG LYS 55 HG2 LYS 55 2.372 -13.121 3.620
434 1HD LYS 55 HD1 LYS 55 -0.682 -13.050 3.180
435 2HD LYS 55 HD2 LYS 55 0.366 -14.515 3.211
436 1HE LYS 55 HE1 LYS 55 1.030 -13.999 5.601
437 2HE LYS 55 HE2 LYS 55 -0.134 -12.614 5.607
438 1HZ LYS 55 HZ1 LYS 55 -0.810 -15.464 5.101
439 2HZ LYS 55 HZ2 LYS 55 -1.087 -14.590 6.531
440 3HZ LYS 55 HZ3 LYS 55 -1.899 -14.160 5.102
441 H LYS 56 H LYS 56 3.027 -8.415 2.020
442 HA LYS 56 HA LYS 56 4.519 -9.823 -0.090
443 1HB LYS 56 HB1 LYS 56 2.580 -7.528 0.071
444 2HB LYS 56 HB2 LYS 56 3.893 -7.250 -1.094
445 1HG LYS 56 HG1 LYS 56 3.564 -9.353 -2.158
446 2HG LYS 56 HG2 LYS 56 2.179 -9.785 -1.115
447 1HD LYS 56 HD1 LYS 56 2.077 -7.146 -2.812
448 2HD LYS 56 HD2 LYS 56 1.818 -8.735 -3.577
449 1HE LYS 56 HE1 LYS 56 0.152 -7.907 -1.115
450 2HE LYS 56 HE2 LYS 56 -0.372 -7.728 -2.838
451 1HZ LYS 56 HZ1 LYS 56 -0.129 -10.089 -3.123
452 2HZ LYS 56 HZ2 LYS 56 0.367 -10.279 -1.510
453 3HZ LYS 56 HZ3 LYS 56 -1.203 -9.730 -1.857
454 H CYS 57 H CYS 57 4.925 -7.471 2.460
455 HA CYS 57 HA CYS 57 7.602 -6.547 1.387
456 1HB CYS 57 HB1 CYS 57 5.129 -5.013 2.309
457 2HB CYS 57 HB2 CYS 57 6.738 -4.233 2.335
458 H LEU 58 H LEU 58 6.826 -8.386 3.892
459 HA LEU 58 HA LEU 58 8.915 -7.124 5.496
460 1HB LEU 58 HB1 LEU 58 6.166 -7.546 6.640
461 2HB LEU 58 HB2 LEU 58 7.580 -7.778 7.732
462 HG LEU 58 HG LEU 58 7.027 -5.285 6.164
463 1HD1 LEU 58 HD11 LEU 58 6.652 -5.959 9.177
464 2HD1 LEU 58 HD12 LEU 58 6.515 -4.299 8.488
465 3HD1 LEU 58 HD13 LEU 58 5.338 -5.576 8.012
466 1HD2 LEU 58 HD21 LEU 58 9.152 -5.813 8.331
467 2HD2 LEU 58 HD22 LEU 58 9.455 -5.426 6.593
468 3HD2 LEU 58 HD23 LEU 58 8.717 -4.196 7.663
469 H GLY 59 H GLY 59 7.268 -9.972 4.421
470 1HA GLY 59 HA1 GLY 59 7.702 -12.095 4.425
471 2HA GLY 59 HA2 GLY 59 9.120 -11.862 5.543
472 H LYS 60 H LYS 60 5.508 -11.630 5.476
473 HA LYS 60 HA LYS 60 5.175 -13.320 7.736
474 1HB LYS 60 HB1 LYS 60 3.989 -11.489 9.076
475 2HB LYS 60 HB2 LYS 60 5.786 -11.402 9.057
476 1HG LYS 60 HG1 LYS 60 5.636 -9.637 7.180
477 2HG LYS 60 HG2 LYS 60 3.879 -9.644 7.407
478 1HD LYS 60 HD1 LYS 60 6.107 -8.790 9.360
479 2HD LYS 60 HD2 LYS 60 4.885 -7.795 8.501
480 1HE LYS 60 HE1 LYS 60 3.088 -9.022 9.991
481 2HE LYS 60 HE2 LYS 60 4.475 -9.717 10.915
482 1HZ LYS 60 HZ1 LYS 60 5.232 -7.469 11.348
483 2HZ LYS 60 HZ2 LYS 60 3.929 -6.822 10.471
484 3HZ LYS 60 HZ3 LYS 60 3.641 -7.698 11.897
No H/Q in entry = 484
Start of MODEL 8
1 H TRP 1 H TRP 1 13.437 -12.234 2.521
2 HA TRP 1 HA TRP 1 11.644 -11.780 0.470
3 1HB TRP 1 HB1 TRP 1 9.807 -11.529 2.152
4 2HB TRP 1 HB2 TRP 1 10.888 -10.611 3.222
5 HD1 TRP 1 HD1 TRP 1 8.689 -10.037 -0.103
6 HE1 TRP 1 HE1 TRP 1 8.194 -7.672 -0.208
7 HE3 TRP 1 HE3 TRP 1 11.815 -8.440 3.675
8 HZ2 TRP 1 HZ2 TRP 1 9.113 -5.256 0.947
9 HZ3 TRP 1 HZ3 TRP 1 11.934 -5.984 4.081
10 HH2 TRP 1 HH2 TRP 1 10.575 -4.417 2.647
11 H GLN 2 H GLN 2 12.079 -9.691 -0.482
12 HA GLN 2 HA GLN 2 14.001 -7.879 0.650
13 1HB GLN 2 HB1 GLN 2 14.444 -9.226 -2.119
14 2HB GLN 2 HB2 GLN 2 15.223 -7.695 -1.593
15 1HG GLN 2 HG1 GLN 2 16.318 -8.960 0.339
16 2HG GLN 2 HG2 GLN 2 15.668 -10.481 -0.357
17 1HE2 GLN 2 HE21 GLN 2 19.026 -8.892 -1.962
18 2HE2 GLN 2 HE22 GLN 2 18.213 -8.082 -0.644
19 HA PRO 3 HA PRO 3 10.491 -5.964 -0.906
20 1HB PRO 3 HB1 PRO 3 11.414 -3.260 -1.375
21 2HB PRO 3 HB2 PRO 3 10.680 -4.033 0.080
22 1HG PRO 3 HG1 PRO 3 13.525 -3.261 -0.199
23 2HG PRO 3 HG2 PRO 3 12.726 -4.177 1.139
24 1HD PRO 3 HD1 PRO 3 14.233 -5.142 -1.322
25 2HD PRO 3 HD2 PRO 3 14.203 -5.834 0.359
26 HA PRO 4 HA PRO 4 10.766 -6.070 -5.455
27 1HB PRO 4 HB1 PRO 4 7.838 -6.938 -5.250
28 2HB PRO 4 HB2 PRO 4 9.249 -7.793 -5.983
29 1HG PRO 4 HG1 PRO 4 8.249 -8.687 -3.540
30 2HG PRO 4 HG2 PRO 4 10.002 -8.480 -3.751
31 1HD PRO 4 HD1 PRO 4 8.173 -6.213 -2.663
32 2HD PRO 4 HD2 PRO 4 9.357 -7.136 -1.794
33 H TRP 5 H TRP 5 7.475 -5.368 -6.001
34 HA TRP 5 HA TRP 5 8.089 -2.675 -6.845
35 1HB TRP 5 HB1 TRP 5 5.812 -2.492 -7.834
36 2HB TRP 5 HB2 TRP 5 6.926 -3.675 -8.462
37 HD1 TRP 5 HD1 TRP 5 6.318 -6.179 -8.480
38 HE1 TRP 5 HE1 TRP 5 3.871 -7.179 -8.700
39 HE3 TRP 5 HE3 TRP 5 3.210 -2.902 -6.005
40 HZ2 TRP 5 HZ2 TRP 5 1.254 -6.078 -8.981
41 HZ3 TRP 5 HZ3 TRP 5 1.161 -2.275 -7.021
42 HH2 TRP 5 HH2 TRP 5 0.160 -3.790 -8.650
43 H TYR 6 H TYR 6 5.273 -3.855 -5.148
44 HA TYR 6 HA TYR 6 3.942 -1.825 -4.132
45 1HB TYR 6 HB1 TYR 6 4.249 -4.163 -2.154
46 2HB TYR 6 HB2 TYR 6 2.776 -3.537 -2.974
47 HD1 TYR 6 HD1 TYR 6 5.784 -5.655 -3.100
48 HD2 TYR 6 HD2 TYR 6 2.056 -4.788 -5.054
49 HE1 TYR 6 HE1 TYR 6 5.955 -7.746 -4.512
50 HE2 TYR 6 HE2 TYR 6 2.231 -6.858 -6.344
51 HH TYR 6 HH TYR 6 4.714 -9.227 -5.896
52 H CYS 7 H CYS 7 6.738 -3.108 -2.477
53 HA CYS 7 HA CYS 7 6.382 -1.589 -0.170
54 1HB CYS 7 HB1 CYS 7 8.947 -3.078 -0.858
55 2HB CYS 7 HB2 CYS 7 8.092 -2.911 0.709
56 H LYS 8 H LYS 8 7.906 -0.915 -3.214
57 HA LYS 8 HA LYS 8 9.408 1.433 -2.155
58 1HB LYS 8 HB1 LYS 8 10.015 -0.457 -4.589
59 2HB LYS 8 HB2 LYS 8 10.959 1.023 -4.193
60 1HG LYS 8 HG1 LYS 8 11.832 -0.059 -2.161
61 2HG LYS 8 HG2 LYS 8 10.824 -1.517 -2.484
62 1HD LYS 8 HD1 LYS 8 11.937 -1.882 -4.653
63 2HD LYS 8 HD2 LYS 8 12.953 -0.414 -4.425
64 1HE LYS 8 HE1 LYS 8 13.074 -2.987 -2.718
65 2HE LYS 8 HE2 LYS 8 14.216 -2.526 -4.031
66 1HZ LYS 8 HZ1 LYS 8 14.799 -0.587 -2.752
67 2HZ LYS 8 HZ2 LYS 8 13.710 -1.021 -1.523
68 3HZ LYS 8 HZ3 LYS 8 15.048 -2.013 -1.862
69 H GLU 9 H GLU 9 6.535 1.105 -2.876
70 HA GLU 9 HA GLU 9 6.241 2.122 -5.569
71 1HB GLU 9 HB1 GLU 9 4.995 0.303 -4.922
72 2HB GLU 9 HB2 GLU 9 4.306 1.107 -3.496
73 1HG GLU 9 HG1 GLU 9 3.859 2.209 -6.369
74 2HG GLU 9 HG2 GLU 9 2.995 0.779 -5.856
75 HA PRO 10 HA PRO 10 5.603 6.212 -3.728
76 1HB PRO 10 HB1 PRO 10 5.322 7.750 -5.988
77 2HB PRO 10 HB2 PRO 10 6.852 6.926 -5.525
78 1HG PRO 10 HG1 PRO 10 4.862 6.119 -7.607
79 2HG PRO 10 HG2 PRO 10 6.666 5.827 -7.605
80 1HD PRO 10 HD1 PRO 10 4.538 4.052 -6.802
81 2HD PRO 10 HD2 PRO 10 6.339 3.748 -6.669
82 H VAL 11 H VAL 11 3.529 7.447 -2.968
83 HA VAL 11 HA VAL 11 1.243 5.855 -3.622
84 HB VAL 11 HB VAL 11 1.727 6.481 -1.381
85 1HG1 VAL 11 HG11 VAL 11 2.042 8.989 -1.686
86 2HG1 VAL 11 HG12 VAL 11 0.314 9.142 -2.150
87 3HG1 VAL 11 HG13 VAL 11 0.748 8.577 -0.503
88 1HG2 VAL 11 HG21 VAL 11 -1.109 6.805 -2.593
89 2HG2 VAL 11 HG22 VAL 11 -0.273 5.286 -2.111
90 3HG2 VAL 11 HG23 VAL 11 -0.725 6.508 -0.870
91 H ARG 12 H ARG 12 -0.213 5.952 -4.889
92 HA ARG 12 HA ARG 12 -0.758 8.127 -6.769
93 1HB ARG 12 HB1 ARG 12 -0.946 5.091 -6.882
94 2HB ARG 12 HB2 ARG 12 -2.199 5.975 -7.717
95 1HG ARG 12 HG1 ARG 12 0.221 7.314 -8.402
96 2HG ARG 12 HG2 ARG 12 0.717 5.647 -8.135
97 1HD ARG 12 HD1 ARG 12 -1.590 6.709 -9.905
98 2HD ARG 12 HD2 ARG 12 0.049 6.416 -10.591
99 HE ARG 12 HE ARG 12 -1.935 4.335 -10.514
100 1HH1 ARG 12 HH11 ARG 12 1.426 4.749 -9.775
101 2HH1 ARG 12 HH12 ARG 12 1.867 3.293 -10.604
102 1HH2 ARG 12 HH21 ARG 12 -1.374 2.492 -11.425
103 2HH2 ARG 12 HH22 ARG 12 0.284 2.045 -11.546
104 H ILE 13 H ILE 13 -2.703 9.406 -6.061
105 HA ILE 13 HA ILE 13 -4.778 7.867 -4.687
106 HB ILE 13 HB ILE 13 -4.047 10.057 -3.850
107 1HG1 ILE 13 HG11 ILE 13 -7.028 9.663 -4.474
108 2HG1 ILE 13 HG12 ILE 13 -6.075 8.607 -3.382
109 1HG2 ILE 13 HG21 ILE 13 -4.217 11.440 -6.053
110 2HG2 ILE 13 HG22 ILE 13 -5.999 11.153 -5.957
111 3HG2 ILE 13 HG23 ILE 13 -5.146 12.073 -4.669
112 1HD1 ILE 13 HD11 ILE 13 -6.475 11.623 -2.858
113 2HD1 ILE 13 HD12 ILE 13 -7.480 10.297 -2.127
114 3HD1 ILE 13 HD13 ILE 13 -5.699 10.365 -1.802
115 H GLY 14 H GLY 14 -4.055 9.263 -7.783
116 1HA GLY 14 HA1 GLY 14 -5.030 8.667 -9.848
117 2HA GLY 14 HA2 GLY 14 -6.390 7.897 -8.991
118 H SER 15 H SER 15 -7.707 9.667 -7.664
119 HA SER 15 HA SER 15 -9.121 11.316 -7.652
120 1HB SER 15 HB1 SER 15 -8.935 13.521 -8.743
121 2HB SER 15 HB2 SER 15 -7.475 13.021 -7.838
122 HG SER 15 HG SER 15 -6.863 12.206 -10.131
123 H CYS 16 H CYS 16 -10.721 9.820 -8.196
124 HA CYS 16 HA CYS 16 -11.810 10.126 -10.928
125 1HB CYS 16 HB1 CYS 16 -10.089 8.345 -10.936
126 2HB CYS 16 HB2 CYS 16 -10.894 7.476 -9.630
127 H LYS 17 H LYS 17 -12.480 7.798 -8.382
128 HA LYS 17 HA LYS 17 -15.327 8.193 -8.713
129 1HB LYS 17 HB1 LYS 17 -13.725 6.138 -7.027
130 2HB LYS 17 HB2 LYS 17 -15.489 6.047 -7.367
131 1HG LYS 17 HG1 LYS 17 -13.322 5.782 -9.527
132 2HG LYS 17 HG2 LYS 17 -14.068 4.494 -8.556
133 1HD LYS 17 HD1 LYS 17 -16.375 5.498 -9.349
134 2HD LYS 17 HD2 LYS 17 -15.406 6.395 -10.572
135 1HE LYS 17 HE1 LYS 17 -15.512 3.335 -10.134
136 2HE LYS 17 HE2 LYS 17 -16.390 4.231 -11.446
137 1HZ LYS 17 HZ1 LYS 17 -13.440 4.107 -11.081
138 2HZ LYS 17 HZ2 LYS 17 -14.352 3.252 -12.231
139 3HZ LYS 17 HZ3 LYS 17 -14.265 4.947 -12.306
140 H LYS 18 H LYS 18 -14.413 7.017 -5.659
141 HA LYS 18 HA LYS 18 -15.236 9.362 -4.088
142 1HB LYS 18 HB1 LYS 18 -17.153 7.772 -4.070
143 2HB LYS 18 HB2 LYS 18 -16.047 6.389 -3.965
144 1HG LYS 18 HG1 LYS 18 -17.078 6.486 -1.865
145 2HG LYS 18 HG2 LYS 18 -15.431 7.013 -1.583
146 1HD LYS 18 HD1 LYS 18 -17.044 8.281 -0.256
147 2HD LYS 18 HD2 LYS 18 -16.090 9.373 -1.301
148 1HE LYS 18 HE1 LYS 18 -18.987 8.473 -2.013
149 2HE LYS 18 HE2 LYS 18 -18.597 9.891 -0.965
150 1HZ LYS 18 HZ1 LYS 18 -17.321 10.840 -2.729
151 2HZ LYS 18 HZ2 LYS 18 -17.654 9.522 -3.746
152 3HZ LYS 18 HZ3 LYS 18 -18.917 10.532 -3.223
153 H GLN 19 H GLN 19 -13.908 9.345 -2.066
154 HA GLN 19 HA GLN 19 -11.357 7.963 -2.470
155 1HB GLN 19 HB1 GLN 19 -11.516 9.917 -0.173
156 2HB GLN 19 HB2 GLN 19 -10.254 9.647 -1.401
157 1HG GLN 19 HG1 GLN 19 -12.814 11.317 -1.675
158 2HG GLN 19 HG2 GLN 19 -11.117 11.876 -1.667
159 1HE2 GLN 19 HE21 GLN 19 -12.809 11.224 -5.185
160 2HE2 GLN 19 HE22 GLN 19 -13.605 11.707 -3.707
161 H PHE 20 H PHE 20 -11.142 5.974 -1.585
162 HA PHE 20 HA PHE 20 -12.837 5.213 0.734
163 1HB PHE 20 HB1 PHE 20 -11.356 3.540 -1.392
164 2HB PHE 20 HB2 PHE 20 -12.404 2.842 -0.108
165 HD1 PHE 20 HD1 PHE 20 -14.910 4.030 -0.065
166 HD2 PHE 20 HD2 PHE 20 -12.331 3.713 -3.537
167 HE1 PHE 20 HE1 PHE 20 -16.859 3.960 -1.539
168 HE2 PHE 20 HE2 PHE 20 -14.297 3.679 -4.977
169 HZ PHE 20 HZ PHE 20 -16.573 3.787 -3.997
170 H SER 21 H SER 21 -11.912 4.323 2.615
171 HA SER 21 HA SER 21 -9.186 4.891 3.249
172 1HB SER 21 HB1 SER 21 -10.983 4.970 4.977
173 2HB SER 21 HB2 SER 21 -11.211 3.196 4.859
174 HG SER 21 HG SER 21 -9.052 2.958 5.587
175 H SER 22 H SER 22 -7.601 3.803 2.274
176 HA SER 22 HA SER 22 -7.677 0.841 2.014
177 1HB SER 22 HB1 SER 22 -5.938 1.127 0.320
178 2HB SER 22 HB2 SER 22 -7.131 2.421 0.039
179 HG SER 22 HG SER 22 -5.758 3.770 1.425
180 H PHE 23 H PHE 23 -4.951 0.437 1.894
181 HA PHE 23 HA PHE 23 -3.506 1.473 4.129
182 1HB PHE 23 HB1 PHE 23 -3.904 -1.539 3.808
183 2HB PHE 23 HB2 PHE 23 -2.726 -0.874 4.987
184 HD1 PHE 23 HD1 PHE 23 -3.594 0.526 6.922
185 HD2 PHE 23 HD2 PHE 23 -6.227 -1.722 4.387
186 HE1 PHE 23 HE1 PHE 23 -5.399 0.730 8.611
187 HE2 PHE 23 HE2 PHE 23 -8.049 -1.485 6.049
188 HZ PHE 23 HZ PHE 23 -7.640 -0.255 8.173
189 H TYR 24 H TYR 24 -1.483 1.716 3.546
190 HA TYR 24 HA TYR 24 -0.445 0.233 1.179
191 1HB TYR 24 HB1 TYR 24 0.487 2.048 0.075
192 2HB TYR 24 HB2 TYR 24 -1.115 2.622 0.534
193 HD1 TYR 24 HD1 TYR 24 -1.281 4.249 2.559
194 HD2 TYR 24 HD2 TYR 24 2.481 3.273 0.719
195 HE1 TYR 24 HE1 TYR 24 -0.288 6.311 3.484
196 HE2 TYR 24 HE2 TYR 24 3.527 5.243 1.860
197 HH TYR 24 HH TYR 24 3.091 7.261 2.819
198 H PHE 25 H PHE 25 1.842 -0.248 1.151
199 HA PHE 25 HA PHE 25 3.075 -0.328 3.814
200 1HB PHE 25 HB1 PHE 25 3.016 -2.374 2.040
201 2HB PHE 25 HB2 PHE 25 4.323 -1.514 1.222
202 HD1 PHE 25 HD1 PHE 25 6.502 -1.082 2.529
203 HD2 PHE 25 HD2 PHE 25 3.437 -3.731 4.099
204 HE1 PHE 25 HE1 PHE 25 8.041 -2.016 4.243
205 HE2 PHE 25 HE2 PHE 25 4.864 -4.472 5.784
206 HZ PHE 25 HZ PHE 25 7.256 -3.639 5.881
207 H LYS 26 H LYS 26 4.418 1.425 4.394
208 HA LYS 26 HA LYS 26 5.139 3.309 2.299
209 1HB LYS 26 HB1 LYS 26 3.890 4.087 4.088
210 2HB LYS 26 HB2 LYS 26 4.870 3.196 5.292
211 1HG LYS 26 HG1 LYS 26 5.076 5.305 5.439
212 2HG LYS 26 HG2 LYS 26 6.764 4.787 5.005
213 1HD LYS 26 HD1 LYS 26 4.675 6.402 3.457
214 2HD LYS 26 HD2 LYS 26 6.190 7.042 4.204
215 1HE LYS 26 HE1 LYS 26 7.592 6.090 2.501
216 2HE LYS 26 HE2 LYS 26 6.242 5.004 1.983
217 1HZ LYS 26 HZ1 LYS 26 5.028 6.910 1.211
218 2HZ LYS 26 HZ2 LYS 26 6.267 7.960 1.709
219 3HZ LYS 26 HZ3 LYS 26 6.553 6.838 0.466
220 H TRP 27 H TRP 27 7.109 2.994 1.334
221 HA TRP 27 HA TRP 27 9.071 1.274 1.965
222 1HB TRP 27 HB1 TRP 27 8.723 2.160 -0.233
223 2HB TRP 27 HB2 TRP 27 8.894 3.792 0.210
224 HD1 TRP 27 HD1 TRP 27 10.976 4.875 -0.636
225 HE1 TRP 27 HE1 TRP 27 13.487 4.185 -0.910
226 HE3 TRP 27 HE3 TRP 27 10.587 0.119 0.912
227 HZ2 TRP 27 HZ2 TRP 27 15.085 1.902 -0.311
228 HZ3 TRP 27 HZ3 TRP 27 12.589 -1.276 1.209
229 HH2 TRP 27 HH2 TRP 27 14.835 -0.416 0.577
230 H THR 28 H THR 28 9.116 4.731 2.918
231 HA THR 28 HA THR 28 11.720 4.434 4.146
232 HB THR 28 HB THR 28 11.473 6.895 4.743
233 HG1 THR 28 HG1 THR 28 9.966 7.953 3.429
234 1HG2 THR 28 HG21 THR 28 12.763 5.968 2.796
235 2HG2 THR 28 HG22 THR 28 11.272 5.991 1.792
236 3HG2 THR 28 HG23 THR 28 11.982 7.534 2.393
237 H ALA 29 H ALA 29 8.670 3.601 5.231
238 HA ALA 29 HA ALA 29 9.273 4.221 8.073
239 1HB ALA 29 HB1 ALA 29 6.699 3.207 6.704
240 2HB ALA 29 HB2 ALA 29 6.872 3.576 8.476
241 3HB ALA 29 HB3 ALA 29 7.057 4.872 7.249
242 H LYS 30 H LYS 30 8.516 1.464 5.938
243 HA LYS 30 HA LYS 30 9.028 -0.659 5.953
244 1HB LYS 30 HB1 LYS 30 10.621 -0.259 8.475
245 2HB LYS 30 HB2 LYS 30 10.351 -1.886 7.785
246 1HG LYS 30 HG1 LYS 30 11.490 0.390 6.078
247 2HG LYS 30 HG2 LYS 30 12.474 -0.711 7.091
248 1HD LYS 30 HD1 LYS 30 11.623 -2.701 5.913
249 2HD LYS 30 HD2 LYS 30 10.584 -1.670 4.864
250 1HE LYS 30 HE1 LYS 30 12.572 -0.610 3.836
251 2HE LYS 30 HE2 LYS 30 13.662 -1.556 4.930
252 1HZ LYS 30 HZ1 LYS 30 12.786 -3.582 3.979
253 2HZ LYS 30 HZ2 LYS 30 11.761 -2.703 2.948
254 3HZ LYS 30 HZ3 LYS 30 13.445 -2.578 2.777
255 H LYS 31 H LYS 31 6.693 0.674 7.096
256 HA LYS 31 HA LYS 31 5.244 -1.620 8.005
257 1HB LYS 31 HB1 LYS 31 6.033 0.648 9.756
258 2HB LYS 31 HB2 LYS 31 4.275 0.495 9.798
259 1HG LYS 31 HG1 LYS 31 6.341 -1.681 10.414
260 2HG LYS 31 HG2 LYS 31 5.393 -0.753 11.620
261 1HD LYS 31 HD1 LYS 31 4.158 -2.742 9.569
262 2HD LYS 31 HD2 LYS 31 4.662 -3.128 11.230
263 1HE LYS 31 HE1 LYS 31 2.304 -2.887 11.327
264 2HE LYS 31 HE2 LYS 31 2.993 -1.426 12.141
265 1HZ LYS 31 HZ1 LYS 31 1.968 -1.594 9.351
266 2HZ LYS 31 HZ2 LYS 31 1.177 -0.902 10.685
267 3HZ LYS 31 HZ3 LYS 31 2.612 -0.210 10.093
268 H CYS 32 H CYS 32 2.786 -0.714 8.370
269 HA CYS 32 HA CYS 32 2.022 0.200 5.708
270 1HB CYS 32 HB1 CYS 32 0.639 -1.496 7.892
271 2HB CYS 32 HB2 CYS 32 -0.070 -1.200 6.253
272 H LEU 33 H LEU 33 0.784 2.060 5.358
273 HA LEU 33 HA LEU 33 -0.479 3.300 7.777
274 1HB LEU 33 HB1 LEU 33 0.643 4.756 5.335
275 2HB LEU 33 HB2 LEU 33 -0.066 5.523 6.789
276 HG LEU 33 HG LEU 33 2.542 3.891 6.679
277 1HD1 LEU 33 HD11 LEU 33 2.000 6.903 6.875
278 2HD1 LEU 33 HD12 LEU 33 3.609 6.121 7.063
279 3HD1 LEU 33 HD13 LEU 33 2.725 6.011 5.492
280 1HD2 LEU 33 HD21 LEU 33 1.266 5.489 9.008
281 2HD2 LEU 33 HD22 LEU 33 1.483 3.699 8.953
282 3HD2 LEU 33 HD23 LEU 33 2.918 4.774 8.995
283 HA PRO 34 HA PRO 34 -4.177 3.060 5.027
284 1HB PRO 34 HB1 PRO 34 -6.057 4.320 6.597
285 2HB PRO 34 HB2 PRO 34 -5.268 2.796 7.112
286 1HG PRO 34 HG1 PRO 34 -4.525 5.635 7.974
287 2HG PRO 34 HG2 PRO 34 -4.784 4.191 9.034
288 1HD PRO 34 HD1 PRO 34 -2.248 5.107 8.030
289 2HD PRO 34 HD2 PRO 34 -2.605 3.388 8.545
290 H PHE 35 H PHE 35 -3.990 4.094 3.096
291 HA PHE 35 HA PHE 35 -4.318 7.092 3.248
292 1HB PHE 35 HB1 PHE 35 -3.240 7.620 1.378
293 2HB PHE 35 HB2 PHE 35 -2.217 6.304 2.010
294 HD1 PHE 35 HD1 PHE 35 -2.870 3.853 0.976
295 HD2 PHE 35 HD2 PHE 35 -3.857 7.624 -0.971
296 HE1 PHE 35 HE1 PHE 35 -3.115 2.736 -1.126
297 HE2 PHE 35 HE2 PHE 35 -4.108 6.380 -3.099
298 HZ PHE 35 HZ PHE 35 -4.012 3.936 -3.095
299 H LEU 36 H LEU 36 -5.605 8.061 1.415
300 HA LEU 36 HA LEU 36 -8.143 6.603 1.095
301 1HB LEU 36 HB1 LEU 36 -7.297 9.535 0.693
302 2HB LEU 36 HB2 LEU 36 -8.890 8.923 0.150
303 HG LEU 36 HG LEU 36 -7.950 8.826 3.056
304 1HD1 LEU 36 HD11 LEU 36 -8.167 11.164 2.233
305 2HD1 LEU 36 HD12 LEU 36 -9.803 10.797 1.565
306 3HD1 LEU 36 HD13 LEU 36 -9.520 10.765 3.358
307 1HD2 LEU 36 HD21 LEU 36 -10.717 8.344 1.745
308 2HD2 LEU 36 HD22 LEU 36 -9.681 7.114 2.568
309 3HD2 LEU 36 HD23 LEU 36 -10.402 8.456 3.515
310 H PHE 37 H PHE 37 -8.511 5.556 -0.836
311 HA PHE 37 HA PHE 37 -6.911 6.335 -3.224
312 1HB PHE 37 HB1 PHE 37 -6.175 4.251 -2.660
313 2HB PHE 37 HB2 PHE 37 -7.681 3.701 -1.934
314 HD1 PHE 37 HD1 PHE 37 -5.990 4.124 -5.386
315 HD2 PHE 37 HD2 PHE 37 -9.380 2.654 -3.112
316 HE1 PHE 37 HE1 PHE 37 -6.646 2.658 -7.242
317 HE2 PHE 37 HE2 PHE 37 -10.060 1.272 -5.033
318 HZ PHE 37 HZ PHE 37 -8.617 1.192 -7.063
319 H SER 38 H SER 38 -7.981 6.916 -5.131
320 HA SER 38 HA SER 38 -10.817 7.467 -4.925
321 1HB SER 38 HB1 SER 38 -8.820 9.004 -5.692
322 2HB SER 38 HB2 SER 38 -9.104 8.288 -7.310
323 HG SER 38 HG SER 38 -10.771 9.848 -5.598
324 H GLY 39 H GLY 39 -9.522 4.554 -5.889
325 1HA GLY 39 HA1 GLY 39 -10.791 2.927 -6.763
326 2HA GLY 39 HA2 GLY 39 -11.949 3.998 -7.350
327 H CYS 40 H CYS 40 -10.113 5.388 -9.237
328 HA CYS 40 HA CYS 40 -9.106 3.208 -10.940
329 1HB CYS 40 HB1 CYS 40 -10.090 3.861 -12.866
330 2HB CYS 40 HB2 CYS 40 -11.396 4.190 -11.722
331 H GLY 41 H GLY 41 -7.120 3.706 -12.007
332 1HA GLY 41 HA1 GLY 41 -5.439 5.405 -12.592
333 2HA GLY 41 HA2 GLY 41 -5.726 6.158 -11.006
334 H GLY 42 H GLY 42 -5.781 3.837 -9.436
335 1HA GLY 42 HA1 GLY 42 -3.085 3.576 -8.748
336 2HA GLY 42 HA2 GLY 42 -4.470 2.676 -8.098
337 H ASN 43 H ASN 43 -2.574 1.310 -7.612
338 HA ASN 43 HA ASN 43 -2.241 -0.736 -9.737
339 1HB ASN 43 HB1 ASN 43 0.134 -1.152 -8.983
340 2HB ASN 43 HB2 ASN 43 -0.167 0.396 -9.786
341 1HD2 ASN 43 HD21 ASN 43 0.993 2.365 -7.110
342 2HD2 ASN 43 HD22 ASN 43 0.353 2.381 -8.742
343 H ALA 44 H ALA 44 -0.610 -1.598 -6.856
344 HA ALA 44 HA ALA 44 -2.991 -2.830 -5.665
345 1HB ALA 44 HB1 ALA 44 -2.254 -4.582 -7.316
346 2HB ALA 44 HB2 ALA 44 -0.733 -4.778 -6.328
347 3HB ALA 44 HB3 ALA 44 -2.336 -5.078 -5.606
348 H ASN 45 H ASN 45 -0.736 -0.759 -4.975
349 HA ASN 45 HA ASN 45 0.178 -2.026 -2.494
350 1HB ASN 45 HB1 ASN 45 1.725 -0.515 -3.672
351 2HB ASN 45 HB2 ASN 45 0.648 0.877 -3.315
352 1HD2 ASN 45 HD21 ASN 45 3.155 1.105 -0.630
353 2HD2 ASN 45 HD22 ASN 45 2.736 1.677 -2.220
354 H ARG 46 H ARG 46 -2.781 -1.794 -2.858
355 HA ARG 46 HA ARG 46 -3.629 -0.143 -0.640
356 1HB ARG 46 HB1 ARG 46 -5.715 0.564 -1.807
357 2HB ARG 46 HB2 ARG 46 -4.251 1.404 -2.351
358 1HG ARG 46 HG1 ARG 46 -5.606 -1.002 -3.735
359 2HG ARG 46 HG2 ARG 46 -6.098 0.693 -4.041
360 1HD ARG 46 HD1 ARG 46 -3.320 -0.471 -4.700
361 2HD ARG 46 HD2 ARG 46 -4.657 -0.225 -5.865
362 HE ARG 46 HE ARG 46 -4.651 2.191 -5.345
363 1HH1 ARG 46 HH11 ARG 46 -1.477 0.828 -4.575
364 2HH1 ARG 46 HH12 ARG 46 -0.680 2.079 -5.451
365 1HH2 ARG 46 HH21 ARG 46 -3.326 4.008 -5.802
366 2HH2 ARG 46 HH22 ARG 46 -1.669 3.695 -6.119
367 H PHE 47 H PHE 47 -3.853 -1.525 0.588
368 HA PHE 47 HA PHE 47 -4.830 -4.227 -0.003
369 1HB PHE 47 HB1 PHE 47 -3.680 -2.878 2.483
370 2HB PHE 47 HB2 PHE 47 -3.777 -4.586 2.411
371 HD1 PHE 47 HD1 PHE 47 -2.712 -5.165 -0.469
372 HD2 PHE 47 HD2 PHE 47 -1.386 -2.219 2.437
373 HE1 PHE 47 HE1 PHE 47 -0.538 -4.951 -1.588
374 HE2 PHE 47 HE2 PHE 47 0.745 -2.128 1.319
375 HZ PHE 47 HZ PHE 47 1.185 -3.446 -0.719
376 H GLN 48 H GLN 48 -6.448 -5.345 1.193
377 HA GLN 48 HA GLN 48 -8.750 -3.802 1.819
378 1HB GLN 48 HB1 GLN 48 -9.938 -5.582 1.482
379 2HB GLN 48 HB2 GLN 48 -8.466 -6.291 0.799
380 1HG GLN 48 HG1 GLN 48 -9.684 -6.802 3.634
381 2HG GLN 48 HG2 GLN 48 -9.938 -7.788 2.183
382 1HE2 GLN 48 HE21 GLN 48 -7.170 -9.857 2.938
383 2HE2 GLN 48 HE22 GLN 48 -8.770 -9.736 2.243
384 H THR 49 H THR 49 -6.487 -5.493 3.903
385 HA THR 49 HA THR 49 -7.332 -3.934 6.222
386 HB THR 49 HB THR 49 -7.094 -5.857 7.766
387 HG1 THR 49 HG1 THR 49 -6.917 -7.419 5.361
388 1HG2 THR 49 HG21 THR 49 -9.356 -5.223 6.928
389 2HG2 THR 49 HG22 THR 49 -9.192 -6.374 5.570
390 3HG2 THR 49 HG23 THR 49 -9.227 -6.993 7.258
391 H ILE 50 H ILE 50 -5.523 -3.911 7.830
392 HA ILE 50 HA ILE 50 -3.030 -3.411 6.659
393 HB ILE 50 HB ILE 50 -4.062 -2.160 8.399
394 1HG1 ILE 50 HG11 ILE 50 -1.422 -3.259 9.482
395 2HG1 ILE 50 HG12 ILE 50 -1.558 -2.212 8.023
396 1HG2 ILE 50 HG21 ILE 50 -5.170 -4.062 9.696
397 2HG2 ILE 50 HG22 ILE 50 -3.544 -4.541 10.306
398 3HG2 ILE 50 HG23 ILE 50 -4.239 -2.945 10.738
399 1HD1 ILE 50 HD11 ILE 50 -2.662 -0.412 9.369
400 2HD1 ILE 50 HD12 ILE 50 -2.505 -1.427 10.855
401 3HD1 ILE 50 HD13 ILE 50 -1.032 -0.821 10.013
402 H GLY 51 H GLY 51 -4.241 -6.462 7.583
403 1HA GLY 51 HA1 GLY 51 -1.607 -7.675 8.092
404 2HA GLY 51 HA2 GLY 51 -3.218 -8.445 8.118
405 H GLU 52 H GLU 52 -3.454 -6.889 5.320
406 HA GLU 52 HA GLU 52 -2.382 -9.099 3.685
407 1HB GLU 52 HB1 GLU 52 -4.666 -8.661 3.359
408 2HB GLU 52 HB2 GLU 52 -4.437 -6.895 3.282
409 1HG GLU 52 HG1 GLU 52 -3.663 -6.874 1.082
410 2HG GLU 52 HG2 GLU 52 -3.236 -8.616 0.979
411 H CYS 53 H CYS 53 -1.497 -5.987 4.662
412 HA CYS 53 HA CYS 53 -0.155 -4.894 2.471
413 1HB CYS 53 HB1 CYS 53 -1.059 -3.760 4.649
414 2HB CYS 53 HB2 CYS 53 0.172 -4.625 5.547
415 H ARG 54 H ARG 54 0.811 -6.775 5.026
416 HA ARG 54 HA ARG 54 3.667 -7.097 4.949
417 1HB ARG 54 HB1 ARG 54 1.192 -8.342 6.248
418 2HB ARG 54 HB2 ARG 54 2.816 -8.946 6.673
419 1HG ARG 54 HG1 ARG 54 3.488 -7.052 7.765
420 2HG ARG 54 HG2 ARG 54 2.377 -5.949 6.900
421 1HD ARG 54 HD1 ARG 54 1.880 -6.484 9.379
422 2HD ARG 54 HD2 ARG 54 0.538 -6.486 8.149
423 HE ARG 54 HE ARG 54 1.308 -9.170 8.174
424 1HH1 ARG 54 HH11 ARG 54 0.068 -7.038 10.666
425 2HH1 ARG 54 HH12 ARG 54 -0.475 -8.371 11.648
426 1HH2 ARG 54 HH21 ARG 54 0.825 -10.787 9.584
427 2HH2 ARG 54 HH22 ARG 54 -0.093 -10.437 11.005
428 H LYS 55 H LYS 55 1.100 -8.814 3.225
429 HA LYS 55 HA LYS 55 2.712 -11.222 2.798
430 1HB LYS 55 HB1 LYS 55 -0.047 -10.408 1.728
431 2HB LYS 55 HB2 LYS 55 0.754 -11.992 1.384
432 1HG LYS 55 HG1 LYS 55 0.870 -12.485 3.836
433 2HG LYS 55 HG2 LYS 55 -0.169 -11.079 4.185
434 1HD LYS 55 HD1 LYS 55 -0.864 -13.593 2.581
435 2HD LYS 55 HD2 LYS 55 -1.481 -13.041 4.178
436 1HE LYS 55 HE1 LYS 55 -2.577 -11.057 2.979
437 2HE LYS 55 HE2 LYS 55 -2.074 -11.777 1.395
438 1HZ LYS 55 HZ1 LYS 55 -3.836 -13.035 3.437
439 2HZ LYS 55 HZ2 LYS 55 -4.323 -12.322 1.975
440 3HZ LYS 55 HZ3 LYS 55 -3.370 -13.727 1.959
441 H LYS 56 H LYS 56 2.344 -8.208 1.043
442 HA LYS 56 HA LYS 56 3.700 -9.268 -1.349
443 1HB LYS 56 HB1 LYS 56 1.942 -6.876 -0.733
444 2HB LYS 56 HB2 LYS 56 3.200 -6.632 -1.978
445 1HG LYS 56 HG1 LYS 56 2.546 -8.491 -3.252
446 2HG LYS 56 HG2 LYS 56 1.239 -8.948 -2.121
447 1HD LYS 56 HD1 LYS 56 1.154 -6.079 -3.368
448 2HD LYS 56 HD2 LYS 56 0.813 -7.473 -4.406
449 1HE LYS 56 HE1 LYS 56 -0.738 -7.264 -1.705
450 2HE LYS 56 HE2 LYS 56 -1.318 -6.573 -3.279
451 1HZ LYS 56 HZ1 LYS 56 -1.167 -8.763 -4.230
452 2HZ LYS 56 HZ2 LYS 56 -0.599 -9.406 -2.764
453 3HZ LYS 56 HZ3 LYS 56 -2.164 -8.752 -2.855
454 H CYS 57 H CYS 57 4.093 -7.264 1.546
455 HA CYS 57 HA CYS 57 6.855 -6.481 0.702
456 1HB CYS 57 HB1 CYS 57 4.674 -5.026 2.264
457 2HB CYS 57 HB2 CYS 57 6.356 -4.383 2.175
458 H LEU 58 H LEU 58 5.726 -8.672 3.208
459 HA LEU 58 HA LEU 58 8.295 -7.853 4.451
460 1HB LEU 58 HB1 LEU 58 5.772 -8.133 6.005
461 2HB LEU 58 HB2 LEU 58 7.341 -8.607 6.757
462 HG LEU 58 HG LEU 58 6.804 -5.899 5.584
463 1HD1 LEU 58 HD11 LEU 58 5.522 -6.385 7.765
464 2HD1 LEU 58 HD12 LEU 58 7.083 -6.825 8.539
465 3HD1 LEU 58 HD13 LEU 58 6.812 -5.134 8.007
466 1HD2 LEU 58 HD21 LEU 58 9.271 -6.984 7.048
467 2HD2 LEU 58 HD22 LEU 58 9.189 -6.249 5.398
468 3HD2 LEU 58 HD23 LEU 58 8.905 -5.232 6.835
469 H GLY 59 H GLY 59 6.592 -10.332 2.976
470 1HA GLY 59 HA1 GLY 59 6.905 -12.436 2.591
471 2HA GLY 59 HA2 GLY 59 8.506 -12.358 3.445
472 H LYS 60 H LYS 60 5.052 -12.013 4.378
473 HA LYS 60 HA LYS 60 5.234 -14.234 6.230
474 1HB LYS 60 HB1 LYS 60 4.165 -12.571 7.981
475 2HB LYS 60 HB2 LYS 60 5.952 -12.481 7.786
476 1HG LYS 60 HG1 LYS 60 5.778 -10.430 6.379
477 2HG LYS 60 HG2 LYS 60 4.021 -10.533 6.401
478 1HD LYS 60 HD1 LYS 60 4.658 -8.877 7.980
479 2HD LYS 60 HD2 LYS 60 3.998 -10.281 8.905
480 1HE LYS 60 HE1 LYS 60 6.343 -10.954 9.523
481 2HE LYS 60 HE2 LYS 60 6.975 -9.550 8.581
482 1HZ LYS 60 HZ1 LYS 60 5.724 -8.086 10.004
483 2HZ LYS 60 HZ2 LYS 60 5.117 -9.399 10.894
484 3HZ LYS 60 HZ3 LYS 60 6.782 -9.060 10.908
No H/Q in entry = 484
Start of MODEL 9
1 H TRP 1 H TRP 1 13.418 -12.814 3.958
2 HA TRP 1 HA TRP 1 11.860 -12.175 1.716
3 1HB TRP 1 HB1 TRP 1 10.001 -11.723 3.406
4 2HB TRP 1 HB2 TRP 1 11.146 -10.799 4.392
5 HD1 TRP 1 HD1 TRP 1 9.168 -10.420 0.902
6 HE1 TRP 1 HE1 TRP 1 8.892 -8.032 0.502
7 HE3 TRP 1 HE3 TRP 1 12.113 -8.633 4.735
8 HZ2 TRP 1 HZ2 TRP 1 9.993 -5.597 1.398
9 HZ3 TRP 1 HZ3 TRP 1 12.430 -6.166 4.861
10 HH2 TRP 1 HH2 TRP 1 11.321 -4.682 3.128
11 H GLN 2 H GLN 2 12.607 -10.252 0.698
12 HA GLN 2 HA GLN 2 14.479 -8.442 1.868
13 1HB GLN 2 HB1 GLN 2 15.185 -10.149 -0.630
14 2HB GLN 2 HB2 GLN 2 15.992 -8.596 -0.243
15 1HG GLN 2 HG1 GLN 2 16.155 -11.161 1.481
16 2HG GLN 2 HG2 GLN 2 17.413 -10.499 0.383
17 1HE2 GLN 2 HE21 GLN 2 16.904 -8.767 4.064
18 2HE2 GLN 2 HE22 GLN 2 15.654 -9.857 3.464
19 HA PRO 3 HA PRO 3 11.341 -6.480 -0.205
20 1HB PRO 3 HB1 PRO 3 12.589 -3.932 -0.975
21 2HB PRO 3 HB2 PRO 3 11.538 -4.394 0.420
22 1HG PRO 3 HG1 PRO 3 14.454 -3.926 0.558
23 2HG PRO 3 HG2 PRO 3 13.426 -4.724 1.804
24 1HD PRO 3 HD1 PRO 3 15.128 -5.919 -0.410
25 2HD PRO 3 HD2 PRO 3 14.928 -6.461 1.314
26 HA PRO 4 HA PRO 4 11.783 -7.203 -4.675
27 1HB PRO 4 HB1 PRO 4 8.899 -8.146 -4.487
28 2HB PRO 4 HB2 PRO 4 10.383 -9.055 -4.948
29 1HG PRO 4 HG1 PRO 4 9.323 -9.613 -2.461
30 2HG PRO 4 HG2 PRO 4 11.038 -9.273 -2.612
31 1HD PRO 4 HD1 PRO 4 9.058 -6.894 -2.047
32 2HD PRO 4 HD2 PRO 4 10.130 -7.594 -0.955
33 H TRP 5 H TRP 5 8.430 -6.531 -5.220
34 HA TRP 5 HA TRP 5 9.134 -3.999 -6.481
35 1HB TRP 5 HB1 TRP 5 6.907 -4.030 -7.653
36 2HB TRP 5 HB2 TRP 5 8.110 -5.258 -8.029
37 HD1 TRP 5 HD1 TRP 5 7.554 -7.759 -7.711
38 HE1 TRP 5 HE1 TRP 5 5.181 -8.954 -7.838
39 HE3 TRP 5 HE3 TRP 5 4.312 -4.094 -6.096
40 HZ2 TRP 5 HZ2 TRP 5 2.487 -8.162 -8.067
41 HZ3 TRP 5 HZ3 TRP 5 2.132 -4.139 -6.554
42 HH2 TRP 5 HH2 TRP 5 1.073 -6.158 -7.526
43 H TYR 6 H TYR 6 6.219 -4.903 -4.787
44 HA TYR 6 HA TYR 6 4.736 -2.849 -4.314
45 1HB TYR 6 HB1 TYR 6 4.985 -4.629 -1.842
46 2HB TYR 6 HB2 TYR 6 3.578 -4.321 -2.914
47 HD1 TYR 6 HD1 TYR 6 6.751 -6.113 -2.378
48 HD2 TYR 6 HD2 TYR 6 3.129 -6.071 -4.665
49 HE1 TYR 6 HE1 TYR 6 7.119 -8.467 -3.136
50 HE2 TYR 6 HE2 TYR 6 3.472 -8.405 -5.309
51 HH TYR 6 HH TYR 6 4.727 -10.250 -5.056
52 H CYS 7 H CYS 7 7.380 -3.442 -1.943
53 HA CYS 7 HA CYS 7 6.670 -1.579 -0.189
54 1HB CYS 7 HB1 CYS 7 9.610 -2.315 -0.669
55 2HB CYS 7 HB2 CYS 7 8.721 -2.076 0.876
56 H LYS 8 H LYS 8 8.701 -1.143 -3.089
57 HA LYS 8 HA LYS 8 9.037 1.751 -2.608
58 1HB LYS 8 HB1 LYS 8 10.341 -0.191 -4.645
59 2HB LYS 8 HB2 LYS 8 10.778 1.542 -4.423
60 1HG LYS 8 HG1 LYS 8 11.803 1.072 -2.288
61 2HG LYS 8 HG2 LYS 8 11.084 -0.569 -2.213
62 1HD LYS 8 HD1 LYS 8 13.324 -0.927 -2.819
63 2HD LYS 8 HD2 LYS 8 12.333 -1.224 -4.289
64 1HE LYS 8 HE1 LYS 8 14.428 0.029 -4.862
65 2HE LYS 8 HE2 LYS 8 13.007 1.107 -5.146
66 1HZ LYS 8 HZ1 LYS 8 14.770 1.106 -2.749
67 2HZ LYS 8 HZ2 LYS 8 14.781 2.232 -4.021
68 3HZ LYS 8 HZ3 LYS 8 13.430 2.115 -2.998
69 H GLU 9 H GLU 9 6.393 0.179 -3.726
70 HA GLU 9 HA GLU 9 6.480 0.918 -6.535
71 1HB GLU 9 HB1 GLU 9 5.706 -1.237 -5.786
72 2HB GLU 9 HB2 GLU 9 4.292 -0.500 -5.014
73 1HG GLU 9 HG1 GLU 9 4.603 0.345 -7.934
74 2HG GLU 9 HG2 GLU 9 4.681 -1.466 -7.726
75 HA PRO 10 HA PRO 10 5.028 4.897 -5.348
76 1HB PRO 10 HB1 PRO 10 3.945 5.105 -8.221
77 2HB PRO 10 HB2 PRO 10 4.873 6.341 -7.279
78 1HG PRO 10 HG1 PRO 10 6.195 4.775 -9.041
79 2HG PRO 10 HG2 PRO 10 6.894 4.941 -7.382
80 1HD PRO 10 HD1 PRO 10 5.089 2.664 -8.415
81 2HD PRO 10 HD2 PRO 10 6.699 2.545 -7.567
82 H VAL 11 H VAL 11 3.386 5.598 -4.020
83 HA VAL 11 HA VAL 11 0.730 4.554 -4.397
84 HB VAL 11 HB VAL 11 1.591 4.268 -2.239
85 1HG1 VAL 11 HG11 VAL 11 1.719 7.354 -2.020
86 2HG1 VAL 11 HG12 VAL 11 1.851 6.198 -0.669
87 3HG1 VAL 11 HG13 VAL 11 3.110 6.210 -1.955
88 1HG2 VAL 11 HG21 VAL 11 -0.868 4.534 -2.765
89 2HG2 VAL 11 HG22 VAL 11 -0.476 5.057 -1.085
90 3HG2 VAL 11 HG23 VAL 11 -0.808 6.269 -2.369
91 H ARG 12 H ARG 12 -0.879 5.485 -5.130
92 HA ARG 12 HA ARG 12 -1.009 8.382 -5.763
93 1HB ARG 12 HB1 ARG 12 -1.570 6.031 -7.586
94 2HB ARG 12 HB2 ARG 12 -2.265 7.580 -7.730
95 1HG ARG 12 HG1 ARG 12 0.427 8.324 -7.453
96 2HG ARG 12 HG2 ARG 12 0.645 6.594 -7.783
97 1HD ARG 12 HD1 ARG 12 -0.761 7.030 -9.947
98 2HD ARG 12 HD2 ARG 12 -0.802 8.755 -9.412
99 HE ARG 12 HE ARG 12 1.714 8.915 -9.845
100 1HH1 ARG 12 HH11 ARG 12 0.293 5.979 -11.040
101 2HH1 ARG 12 HH12 ARG 12 1.388 5.913 -12.415
102 1HH2 ARG 12 HH21 ARG 12 3.250 8.598 -11.325
103 2HH2 ARG 12 HH22 ARG 12 3.106 7.346 -12.497
104 H ILE 13 H ILE 13 -2.967 9.255 -5.161
105 HA ILE 13 HA ILE 13 -5.245 7.640 -4.350
106 HB ILE 13 HB ILE 13 -4.313 9.330 -2.831
107 1HG1 ILE 13 HG11 ILE 13 -7.258 9.498 -3.695
108 2HG1 ILE 13 HG12 ILE 13 -6.463 8.228 -2.733
109 1HG2 ILE 13 HG21 ILE 13 -4.030 11.379 -4.379
110 2HG2 ILE 13 HG22 ILE 13 -5.845 11.356 -4.564
111 3HG2 ILE 13 HG23 ILE 13 -5.071 11.618 -2.971
112 1HD1 ILE 13 HD11 ILE 13 -6.104 9.963 -0.888
113 2HD1 ILE 13 HD12 ILE 13 -6.950 11.193 -1.918
114 3HD1 ILE 13 HD13 ILE 13 -7.853 9.757 -1.296
115 H GLY 14 H GLY 14 -4.348 9.994 -6.739
116 1HA GLY 14 HA1 GLY 14 -5.343 10.954 -8.584
117 2HA GLY 14 HA2 GLY 14 -6.179 9.399 -8.733
118 H SER 15 H SER 15 -8.418 10.090 -9.366
119 HA SER 15 HA SER 15 -10.107 11.226 -7.502
120 1HB SER 15 HB1 SER 15 -9.175 13.060 -9.813
121 2HB SER 15 HB2 SER 15 -10.780 13.257 -9.015
122 HG SER 15 HG SER 15 -8.447 13.088 -7.427
123 H CYS 16 H CYS 16 -12.127 10.315 -8.274
124 HA CYS 16 HA CYS 16 -12.517 9.619 -11.010
125 1HB CYS 16 HB1 CYS 16 -10.715 7.925 -10.386
126 2HB CYS 16 HB2 CYS 16 -11.799 7.265 -9.158
127 H LYS 17 H LYS 17 -13.288 8.185 -7.850
128 HA LYS 17 HA LYS 17 -16.198 8.530 -8.425
129 1HB LYS 17 HB1 LYS 17 -14.646 6.269 -7.030
130 2HB LYS 17 HB2 LYS 17 -16.429 6.409 -6.903
131 1HG LYS 17 HG1 LYS 17 -14.773 6.014 -9.470
132 2HG LYS 17 HG2 LYS 17 -15.641 4.738 -8.563
133 1HD LYS 17 HD1 LYS 17 -16.959 7.140 -10.006
134 2HD LYS 17 HD2 LYS 17 -16.853 5.447 -10.589
135 1HE LYS 17 HE1 LYS 17 -18.249 4.686 -8.619
136 2HE LYS 17 HE2 LYS 17 -18.430 6.412 -8.096
137 1HZ LYS 17 HZ1 LYS 17 -19.270 5.286 -10.706
138 2HZ LYS 17 HZ2 LYS 17 -20.274 5.679 -9.394
139 3HZ LYS 17 HZ3 LYS 17 -19.426 6.903 -10.210
140 H LYS 18 H LYS 18 -14.716 7.456 -5.410
141 HA LYS 18 HA LYS 18 -15.117 9.956 -4.036
142 1HB LYS 18 HB1 LYS 18 -16.693 9.181 -2.390
143 2HB LYS 18 HB2 LYS 18 -17.423 8.817 -3.992
144 1HG LYS 18 HG1 LYS 18 -16.678 6.460 -3.794
145 2HG LYS 18 HG2 LYS 18 -16.043 6.783 -2.139
146 1HD LYS 18 HD1 LYS 18 -18.972 7.132 -3.062
147 2HD LYS 18 HD2 LYS 18 -18.325 5.700 -2.192
148 1HE LYS 18 HE1 LYS 18 -18.422 8.562 -1.016
149 2HE LYS 18 HE2 LYS 18 -19.534 7.191 -0.619
150 1HZ LYS 18 HZ1 LYS 18 -17.642 5.942 0.155
151 2HZ LYS 18 HZ2 LYS 18 -16.590 7.222 -0.220
152 3HZ LYS 18 HZ3 LYS 18 -17.779 7.422 0.977
153 H GLN 19 H GLN 19 -14.266 9.398 -1.627
154 HA GLN 19 HA GLN 19 -11.816 7.863 -2.070
155 1HB GLN 19 HB1 GLN 19 -12.010 9.441 0.490
156 2HB GLN 19 HB2 GLN 19 -10.659 9.146 -0.660
157 1HG GLN 19 HG1 GLN 19 -12.962 11.132 -1.154
158 2HG GLN 19 HG2 GLN 19 -11.305 11.504 -0.585
159 1HE2 GLN 19 HE21 GLN 19 -9.817 10.728 -3.839
160 2HE2 GLN 19 HE22 GLN 19 -9.463 10.793 -2.128
161 H PHE 20 H PHE 20 -11.831 5.787 -1.635
162 HA PHE 20 HA PHE 20 -13.597 4.611 0.420
163 1HB PHE 20 HB1 PHE 20 -11.938 3.480 -1.931
164 2HB PHE 20 HB2 PHE 20 -12.795 2.397 -0.794
165 HD1 PHE 20 HD1 PHE 20 -15.404 2.652 -0.562
166 HD2 PHE 20 HD2 PHE 20 -13.180 4.595 -3.762
167 HE1 PHE 20 HE1 PHE 20 -17.425 2.847 -1.907
168 HE2 PHE 20 HE2 PHE 20 -15.239 4.805 -5.030
169 HZ PHE 20 HZ PHE 20 -17.352 3.869 -4.163
170 H SER 21 H SER 21 -12.714 3.035 1.958
171 HA SER 21 HA SER 21 -10.328 3.893 3.251
172 1HB SER 21 HB1 SER 21 -12.411 3.036 4.452
173 2HB SER 21 HB2 SER 21 -12.049 1.378 3.871
174 HG SER 21 HG SER 21 -10.036 1.596 5.055
175 H SER 22 H SER 22 -8.261 3.408 2.825
176 HA SER 22 HA SER 22 -7.574 0.668 1.897
177 1HB SER 22 HB1 SER 22 -6.150 1.762 0.042
178 2HB SER 22 HB2 SER 22 -7.840 2.101 -0.088
179 HG SER 22 HG SER 22 -6.319 3.850 1.493
180 H PHE 23 H PHE 23 -5.343 0.387 1.645
181 HA PHE 23 HA PHE 23 -3.467 1.685 3.535
182 1HB PHE 23 HB1 PHE 23 -3.992 -1.359 3.355
183 2HB PHE 23 HB2 PHE 23 -2.551 -0.660 4.166
184 HD1 PHE 23 HD1 PHE 23 -6.295 -0.903 4.428
185 HD2 PHE 23 HD2 PHE 23 -2.614 0.265 6.303
186 HE1 PHE 23 HE1 PHE 23 -7.465 -0.695 6.604
187 HE2 PHE 23 HE2 PHE 23 -3.764 0.503 8.457
188 HZ PHE 23 HZ PHE 23 -6.208 -0.008 8.626
189 H TYR 24 H TYR 24 -1.198 1.294 3.125
190 HA TYR 24 HA TYR 24 -0.381 0.041 0.639
191 1HB TYR 24 HB1 TYR 24 0.679 1.848 -0.454
192 2HB TYR 24 HB2 TYR 24 -0.966 2.414 -0.067
193 HD1 TYR 24 HD1 TYR 24 -1.259 4.153 1.843
194 HD2 TYR 24 HD2 TYR 24 2.604 2.997 0.323
195 HE1 TYR 24 HE1 TYR 24 -0.281 6.174 2.807
196 HE2 TYR 24 HE2 TYR 24 3.620 5.001 1.432
197 HH TYR 24 HH TYR 24 1.637 7.447 3.046
198 H PHE 25 H PHE 25 2.111 -0.392 0.584
199 HA PHE 25 HA PHE 25 3.252 -0.284 3.288
200 1HB PHE 25 HB1 PHE 25 3.258 -2.492 1.779
201 2HB PHE 25 HB2 PHE 25 4.624 -1.735 0.930
202 HD1 PHE 25 HD1 PHE 25 6.703 -1.043 2.445
203 HD2 PHE 25 HD2 PHE 25 3.541 -3.637 3.828
204 HE1 PHE 25 HE1 PHE 25 8.102 -1.893 4.300
205 HE2 PHE 25 HE2 PHE 25 4.805 -4.265 5.732
206 HZ PHE 25 HZ PHE 25 7.182 -3.383 5.990
207 H LYS 26 H LYS 26 4.771 1.215 3.793
208 HA LYS 26 HA LYS 26 5.640 3.132 1.789
209 1HB LYS 26 HB1 LYS 26 4.144 3.838 3.523
210 2HB LYS 26 HB2 LYS 26 5.088 2.998 4.778
211 1HG LYS 26 HG1 LYS 26 5.138 5.118 4.946
212 2HG LYS 26 HG2 LYS 26 6.879 4.685 4.639
213 1HD LYS 26 HD1 LYS 26 4.911 6.209 2.809
214 2HD LYS 26 HD2 LYS 26 6.236 6.928 3.790
215 1HE LYS 26 HE1 LYS 26 7.967 5.795 2.470
216 2HE LYS 26 HE2 LYS 26 6.652 4.901 1.600
217 1HZ LYS 26 HZ1 LYS 26 5.868 6.998 0.731
218 2HZ LYS 26 HZ2 LYS 26 7.077 7.847 1.567
219 3HZ LYS 26 HZ3 LYS 26 7.501 6.767 0.327
220 H TRP 27 H TRP 27 7.668 2.638 1.099
221 HA TRP 27 HA TRP 27 9.487 0.884 1.942
222 1HB TRP 27 HB1 TRP 27 9.517 1.692 -0.271
223 2HB TRP 27 HB2 TRP 27 9.473 3.385 0.161
224 HD1 TRP 27 HD1 TRP 27 11.687 4.447 -0.586
225 HE1 TRP 27 HE1 TRP 27 14.118 3.577 -0.979
226 HE3 TRP 27 HE3 TRP 27 11.023 -0.280 0.876
227 HZ2 TRP 27 HZ2 TRP 27 15.620 1.229 -0.384
228 HZ3 TRP 27 HZ3 TRP 27 12.925 -1.866 0.998
229 HH2 TRP 27 HH2 TRP 27 15.237 -1.110 0.354
230 H THR 28 H THR 28 9.818 4.421 2.644
231 HA THR 28 HA THR 28 12.197 4.036 4.149
232 HB THR 28 HB THR 28 11.824 6.621 4.606
233 HG1 THR 28 HG1 THR 28 10.576 7.425 2.827
234 1HG2 THR 28 HG21 THR 28 12.283 5.387 1.814
235 2HG2 THR 28 HG22 THR 28 12.753 7.054 2.318
236 3HG2 THR 28 HG23 THR 28 13.528 5.627 3.087
237 H ALA 29 H ALA 29 8.878 3.779 5.006
238 HA ALA 29 HA ALA 29 9.327 4.366 7.860
239 1HB ALA 29 HB1 ALA 29 6.824 3.292 6.392
240 2HB ALA 29 HB2 ALA 29 6.906 3.783 8.136
241 3HB ALA 29 HB3 ALA 29 7.153 4.997 6.843
242 H LYS 30 H LYS 30 8.878 1.585 5.664
243 HA LYS 30 HA LYS 30 9.327 -0.554 5.801
244 1HB LYS 30 HB1 LYS 30 10.862 0.105 8.308
245 2HB LYS 30 HB2 LYS 30 10.691 -1.582 7.752
246 1HG LYS 30 HG1 LYS 30 11.716 0.594 5.853
247 2HG LYS 30 HG2 LYS 30 12.743 -0.346 6.984
248 1HD LYS 30 HD1 LYS 30 12.013 -2.481 6.047
249 2HD LYS 30 HD2 LYS 30 10.948 -1.662 4.852
250 1HE LYS 30 HE1 LYS 30 12.887 -0.678 3.698
251 2HE LYS 30 HE2 LYS 30 14.008 -1.277 4.988
252 1HZ LYS 30 HZ1 LYS 30 13.406 -3.529 4.417
253 2HZ LYS 30 HZ2 LYS 30 12.350 -2.987 3.204
254 3HZ LYS 30 HZ3 LYS 30 14.018 -2.702 3.066
255 H LYS 31 H LYS 31 6.877 0.709 6.900
256 HA LYS 31 HA LYS 31 5.629 -1.560 8.213
257 1HB LYS 31 HB1 LYS 31 6.657 -0.049 9.952
258 2HB LYS 31 HB2 LYS 31 5.818 1.352 9.248
259 1HG LYS 31 HG1 LYS 31 3.631 0.404 10.133
260 2HG LYS 31 HG2 LYS 31 4.513 -1.093 10.650
261 1HD LYS 31 HD1 LYS 31 4.191 0.327 12.590
262 2HD LYS 31 HD2 LYS 31 5.937 0.290 12.174
263 1HE LYS 31 HE1 LYS 31 5.636 2.606 11.057
264 2HE LYS 31 HE2 LYS 31 3.919 2.578 11.641
265 1HZ LYS 31 HZ1 LYS 31 4.763 2.383 13.872
266 2HZ LYS 31 HZ2 LYS 31 6.366 2.389 13.310
267 3HZ LYS 31 HZ3 LYS 31 5.386 3.760 13.096
268 H CYS 32 H CYS 32 3.201 -1.130 8.226
269 HA CYS 32 HA CYS 32 2.327 0.058 5.708
270 1HB CYS 32 HB1 CYS 32 0.881 -1.698 7.797
271 2HB CYS 32 HB2 CYS 32 0.160 -1.231 6.204
272 H LEU 33 H LEU 33 0.780 1.599 5.458
273 HA LEU 33 HA LEU 33 -0.170 3.119 7.788
274 1HB LEU 33 HB1 LEU 33 0.819 4.253 5.078
275 2HB LEU 33 HB2 LEU 33 0.119 5.226 6.412
276 HG LEU 33 HG LEU 33 2.781 3.708 6.510
277 1HD1 LEU 33 HD11 LEU 33 2.072 6.690 6.224
278 2HD1 LEU 33 HD12 LEU 33 3.726 6.021 6.473
279 3HD1 LEU 33 HD13 LEU 33 2.806 5.622 4.970
280 1HD2 LEU 33 HD21 LEU 33 1.453 5.623 8.555
281 2HD2 LEU 33 HD22 LEU 33 1.762 3.858 8.798
282 3HD2 LEU 33 HD23 LEU 33 3.141 4.997 8.618
283 HA PRO 34 HA PRO 34 -3.986 3.048 5.002
284 1HB PRO 34 HB1 PRO 34 -5.684 4.451 6.590
285 2HB PRO 34 HB2 PRO 34 -5.018 2.894 7.182
286 1HG PRO 34 HG1 PRO 34 -4.032 5.705 7.920
287 2HG PRO 34 HG2 PRO 34 -4.384 4.327 9.035
288 1HD PRO 34 HD1 PRO 34 -1.825 5.019 7.890
289 2HD PRO 34 HD2 PRO 34 -2.260 3.384 8.593
290 H PHE 35 H PHE 35 -4.901 4.218 3.661
291 HA PHE 35 HA PHE 35 -4.613 7.128 3.650
292 1HB PHE 35 HB1 PHE 35 -3.625 7.624 1.639
293 2HB PHE 35 HB2 PHE 35 -2.602 6.308 2.241
294 HD1 PHE 35 HD1 PHE 35 -3.730 3.816 1.317
295 HD2 PHE 35 HD2 PHE 35 -3.774 7.661 -0.725
296 HE1 PHE 35 HE1 PHE 35 -3.927 2.706 -0.828
297 HE2 PHE 35 HE2 PHE 35 -4.061 6.470 -2.887
298 HZ PHE 35 HZ PHE 35 -4.596 4.039 -2.812
299 H LEU 36 H LEU 36 -5.992 7.256 0.965
300 HA LEU 36 HA LEU 36 -8.417 5.727 1.391
301 1HB LEU 36 HB1 LEU 36 -8.166 8.853 1.162
302 2HB LEU 36 HB2 LEU 36 -9.691 7.958 0.795
303 HG LEU 36 HG LEU 36 -8.401 7.971 3.547
304 1HD1 LEU 36 HD11 LEU 36 -9.065 10.288 2.914
305 2HD1 LEU 36 HD12 LEU 36 -10.704 9.710 2.437
306 3HD1 LEU 36 HD13 LEU 36 -10.176 9.607 4.155
307 1HD2 LEU 36 HD21 LEU 36 -11.164 7.120 2.447
308 2HD2 LEU 36 HD22 LEU 36 -9.883 6.018 3.088
309 3HD2 LEU 36 HD23 LEU 36 -10.719 7.164 4.197
310 H PHE 37 H PHE 37 -9.265 5.434 -0.731
311 HA PHE 37 HA PHE 37 -7.514 6.366 -2.980
312 1HB PHE 37 HB1 PHE 37 -6.809 4.260 -2.511
313 2HB PHE 37 HB2 PHE 37 -8.394 3.602 -2.073
314 HD1 PHE 37 HD1 PHE 37 -10.201 3.492 -4.070
315 HD2 PHE 37 HD2 PHE 37 -5.941 3.483 -4.472
316 HE1 PHE 37 HE1 PHE 37 -10.420 2.435 -6.293
317 HE2 PHE 37 HE2 PHE 37 -6.174 2.254 -6.661
318 HZ PHE 37 HZ PHE 37 -8.406 1.831 -7.590
319 H SER 38 H SER 38 -8.487 7.311 -4.784
320 HA SER 38 HA SER 38 -11.210 8.029 -4.521
321 1HB SER 38 HB1 SER 38 -9.546 8.629 -7.004
322 2HB SER 38 HB2 SER 38 -10.940 9.518 -6.272
323 HG SER 38 HG SER 38 -8.238 9.397 -5.574
324 H GLY 39 H GLY 39 -10.029 5.156 -6.189
325 1HA GLY 39 HA1 GLY 39 -12.151 3.970 -7.094
326 2HA GLY 39 HA2 GLY 39 -12.338 5.339 -8.084
327 H CYS 40 H CYS 40 -10.196 6.072 -9.260
328 HA CYS 40 HA CYS 40 -8.777 3.824 -10.442
329 1HB CYS 40 HB1 CYS 40 -9.311 4.361 -12.744
330 2HB CYS 40 HB2 CYS 40 -10.792 3.952 -11.847
331 H GLY 41 H GLY 41 -7.608 5.161 -8.696
332 1HA GLY 41 HA1 GLY 41 -6.021 7.339 -9.970
333 2HA GLY 41 HA2 GLY 41 -6.505 7.242 -8.227
334 H GLY 42 H GLY 42 -6.046 4.730 -7.501
335 1HA GLY 42 HA1 GLY 42 -3.178 4.518 -7.550
336 2HA GLY 42 HA2 GLY 42 -4.349 3.551 -6.620
337 H ASN 43 H ASN 43 -1.939 2.713 -7.917
338 HA ASN 43 HA ASN 43 -2.942 1.009 -10.124
339 1HB ASN 43 HB1 ASN 43 -0.767 0.673 -10.986
340 2HB ASN 43 HB2 ASN 43 -1.155 2.416 -10.811
341 1HD2 ASN 43 HD21 ASN 43 1.668 2.892 -8.548
342 2HD2 ASN 43 HD22 ASN 43 0.385 3.730 -9.366
343 H ALA 44 H ALA 44 -0.201 -0.378 -8.262
344 HA ALA 44 HA ALA 44 -2.098 -2.611 -7.633
345 1HB ALA 44 HB1 ALA 44 -0.956 -2.926 -9.776
346 2HB ALA 44 HB2 ALA 44 0.646 -2.796 -9.001
347 3HB ALA 44 HB3 ALA 44 -0.477 -4.172 -8.600
348 H ASN 45 H ASN 45 -0.331 -0.533 -5.851
349 HA ASN 45 HA ASN 45 0.597 -2.619 -3.899
350 1HB ASN 45 HB1 ASN 45 2.409 -1.155 -4.580
351 2HB ASN 45 HB2 ASN 45 1.421 0.296 -4.299
352 1HD2 ASN 45 HD21 ASN 45 3.360 0.643 -1.441
353 2HD2 ASN 45 HD22 ASN 45 2.810 1.231 -2.958
354 H ARG 46 H ARG 46 -2.285 -1.748 -4.493
355 HA ARG 46 HA ARG 46 -2.966 -0.280 -2.023
356 1HB ARG 46 HB1 ARG 46 -4.904 -0.409 -4.355
357 2HB ARG 46 HB2 ARG 46 -4.885 0.654 -2.903
358 1HG ARG 46 HG1 ARG 46 -3.015 0.614 -5.307
359 2HG ARG 46 HG2 ARG 46 -4.368 1.754 -4.914
360 1HD ARG 46 HD1 ARG 46 -3.070 2.643 -3.021
361 2HD ARG 46 HD2 ARG 46 -1.674 1.647 -3.345
362 HE ARG 46 HE ARG 46 -2.663 4.031 -4.907
363 1HH1 ARG 46 HH11 ARG 46 -0.047 1.538 -4.889
364 2HH1 ARG 46 HH12 ARG 46 0.681 2.326 -6.237
365 1HH2 ARG 46 HH21 ARG 46 -1.584 4.695 -6.686
366 2HH2 ARG 46 HH22 ARG 46 -0.063 3.957 -7.090
367 H PHE 47 H PHE 47 -3.843 -1.181 -0.621
368 HA PHE 47 HA PHE 47 -4.943 -3.941 -0.846
369 1HB PHE 47 HB1 PHE 47 -3.689 -2.434 1.482
370 2HB PHE 47 HB2 PHE 47 -3.979 -4.111 1.619
371 HD1 PHE 47 HD1 PHE 47 -2.865 -5.009 -1.230
372 HD2 PHE 47 HD2 PHE 47 -1.333 -2.120 1.619
373 HE1 PHE 47 HE1 PHE 47 -0.614 -5.108 -2.256
374 HE2 PHE 47 HE2 PHE 47 0.883 -2.378 0.647
375 HZ PHE 47 HZ PHE 47 1.250 -3.850 -1.302
376 H GLN 48 H GLN 48 -6.773 -4.601 0.288
377 HA GLN 48 HA GLN 48 -8.713 -2.537 0.896
378 1HB GLN 48 HB1 GLN 48 -10.372 -4.005 0.530
379 2HB GLN 48 HB2 GLN 48 -9.112 -4.626 -0.557
380 1HG GLN 48 HG1 GLN 48 -10.137 -5.801 2.114
381 2HG GLN 48 HG2 GLN 48 -10.300 -6.500 0.476
382 1HE2 GLN 48 HE21 GLN 48 -6.862 -7.758 0.574
383 2HE2 GLN 48 HE22 GLN 48 -8.049 -7.190 -0.577
384 H THR 49 H THR 49 -6.682 -4.637 2.834
385 HA THR 49 HA THR 49 -7.707 -3.347 5.250
386 HB THR 49 HB THR 49 -7.583 -5.447 6.576
387 HG1 THR 49 HG1 THR 49 -7.539 -6.783 4.040
388 1HG2 THR 49 HG21 THR 49 -9.768 -4.597 5.693
389 2HG2 THR 49 HG22 THR 49 -9.558 -5.583 4.216
390 3HG2 THR 49 HG23 THR 49 -9.731 -6.402 5.813
391 H ILE 50 H ILE 50 -6.059 -3.921 7.081
392 HA ILE 50 HA ILE 50 -3.533 -2.973 6.370
393 HB ILE 50 HB ILE 50 -4.850 -2.513 8.407
394 1HG1 ILE 50 HG11 ILE 50 -2.023 -3.488 9.045
395 2HG1 ILE 50 HG12 ILE 50 -2.427 -1.972 8.159
396 1HG2 ILE 50 HG21 ILE 50 -5.565 -4.937 8.904
397 2HG2 ILE 50 HG22 ILE 50 -3.885 -5.253 9.477
398 3HG2 ILE 50 HG23 ILE 50 -4.908 -4.045 10.313
399 1HD1 ILE 50 HD11 ILE 50 -3.787 -1.189 10.149
400 2HD1 ILE 50 HD12 ILE 50 -3.251 -2.651 11.063
401 3HD1 ILE 50 HD13 ILE 50 -2.041 -1.429 10.521
402 H GLY 51 H GLY 51 -4.725 -6.271 6.726
403 1HA GLY 51 HA1 GLY 51 -2.032 -7.365 7.141
404 2HA GLY 51 HA2 GLY 51 -3.595 -8.196 7.202
405 H GLU 52 H GLU 52 -3.574 -6.393 4.384
406 HA GLU 52 HA GLU 52 -2.612 -8.650 2.720
407 1HB GLU 52 HB1 GLU 52 -4.859 -7.556 2.364
408 2HB GLU 52 HB2 GLU 52 -4.038 -6.013 2.119
409 1HG GLU 52 HG1 GLU 52 -4.489 -6.618 -0.051
410 2HG GLU 52 HG2 GLU 52 -2.811 -7.212 0.056
411 H CYS 53 H CYS 53 -1.633 -5.571 3.915
412 HA CYS 53 HA CYS 53 0.217 -4.631 2.068
413 1HB CYS 53 HB1 CYS 53 -1.018 -3.374 4.012
414 2HB CYS 53 HB2 CYS 53 -0.074 -4.255 5.143
415 H ARG 54 H ARG 54 0.733 -6.318 4.996
416 HA ARG 54 HA ARG 54 3.545 -6.459 5.257
417 1HB ARG 54 HB1 ARG 54 1.102 -7.776 6.493
418 2HB ARG 54 HB2 ARG 54 2.729 -8.168 7.118
419 1HG ARG 54 HG1 ARG 54 3.014 -6.281 8.224
420 2HG ARG 54 HG2 ARG 54 2.345 -5.245 6.932
421 1HD ARG 54 HD1 ARG 54 1.032 -5.167 9.020
422 2HD ARG 54 HD2 ARG 54 0.047 -5.739 7.607
423 HE ARG 54 HE ARG 54 0.870 -8.158 8.561
424 1HH1 ARG 54 HH11 ARG 54 0.140 -5.469 10.779
425 2HH1 ARG 54 HH12 ARG 54 -0.133 -6.579 12.092
426 1HH2 ARG 54 HH21 ARG 54 0.264 -9.400 10.060
427 2HH2 ARG 54 HH22 ARG 54 -0.096 -8.831 11.666
428 H LYS 55 H LYS 55 1.322 -8.782 3.725
429 HA LYS 55 HA LYS 55 3.194 -10.968 3.676
430 1HB LYS 55 HB1 LYS 55 0.839 -11.226 4.022
431 2HB LYS 55 HB2 LYS 55 0.413 -10.472 2.452
432 1HG LYS 55 HG1 LYS 55 1.364 -12.438 1.243
433 2HG LYS 55 HG2 LYS 55 2.048 -13.083 2.781
434 1HD LYS 55 HD1 LYS 55 -0.152 -13.442 3.726
435 2HD LYS 55 HD2 LYS 55 -0.977 -12.671 2.326
436 1HE LYS 55 HE1 LYS 55 0.727 -15.251 2.120
437 2HE LYS 55 HE2 LYS 55 -1.068 -15.225 2.368
438 1HZ LYS 55 HZ1 LYS 55 -1.306 -14.019 0.316
439 2HZ LYS 55 HZ2 LYS 55 0.373 -14.028 0.062
440 3HZ LYS 55 HZ3 LYS 55 -0.492 -15.489 0.069
441 H LYS 56 H LYS 56 2.935 -8.172 1.735
442 HA LYS 56 HA LYS 56 4.209 -9.303 -0.636
443 1HB LYS 56 HB1 LYS 56 2.983 -6.549 -0.070
444 2HB LYS 56 HB2 LYS 56 3.844 -6.993 -1.561
445 1HG LYS 56 HG1 LYS 56 2.164 -9.083 -1.540
446 2HG LYS 56 HG2 LYS 56 1.185 -7.937 -0.576
447 1HD LYS 56 HD1 LYS 56 1.833 -6.366 -2.937
448 2HD LYS 56 HD2 LYS 56 2.003 -8.050 -3.494
449 1HE LYS 56 HE1 LYS 56 -0.168 -8.802 -2.917
450 2HE LYS 56 HE2 LYS 56 -0.615 -7.219 -2.192
451 1HZ LYS 56 HZ1 LYS 56 0.205 -7.702 -5.021
452 2HZ LYS 56 HZ2 LYS 56 -1.375 -7.435 -4.456
453 3HZ LYS 56 HZ3 LYS 56 -0.216 -6.198 -4.353
454 H CYS 57 H CYS 57 4.824 -7.138 2.147
455 HA CYS 57 HA CYS 57 7.594 -6.521 1.155
456 1HB CYS 57 HB1 CYS 57 5.369 -4.924 2.424
457 2HB CYS 57 HB2 CYS 57 7.059 -4.299 2.533
458 H LEU 58 H LEU 58 6.480 -8.482 3.679
459 HA LEU 58 HA LEU 58 8.887 -7.633 5.194
460 1HB LEU 58 HB1 LEU 58 6.133 -7.700 6.378
461 2HB LEU 58 HB2 LEU 58 7.531 -8.095 7.443
462 HG LEU 58 HG LEU 58 7.230 -5.517 5.898
463 1HD1 LEU 58 HD11 LEU 58 5.597 -5.782 7.881
464 2HD1 LEU 58 HD12 LEU 58 6.995 -6.165 8.941
465 3HD1 LEU 58 HD13 LEU 58 6.854 -4.526 8.214
466 1HD2 LEU 58 HD21 LEU 58 9.405 -6.366 7.867
467 2HD2 LEU 58 HD22 LEU 58 9.605 -5.892 6.136
468 3HD2 LEU 58 HD23 LEU 58 9.077 -4.672 7.334
469 H GLY 59 H GLY 59 6.923 -10.232 4.050
470 1HA GLY 59 HA1 GLY 59 7.269 -12.407 3.983
471 2HA GLY 59 HA2 GLY 59 8.697 -12.254 5.084
472 H LYS 60 H LYS 60 5.142 -11.660 5.236
473 HA LYS 60 HA LYS 60 4.765 -13.490 7.417
474 1HB LYS 60 HB1 LYS 60 3.810 -11.565 8.877
475 2HB LYS 60 HB2 LYS 60 5.607 -11.620 8.794
476 1HG LYS 60 HG1 LYS 60 5.638 -9.853 7.023
477 2HG LYS 60 HG2 LYS 60 3.872 -9.759 7.113
478 1HD LYS 60 HD1 LYS 60 5.986 -9.020 9.237
479 2HD LYS 60 HD2 LYS 60 4.921 -7.927 8.280
480 1HE LYS 60 HE1 LYS 60 2.917 -8.812 9.535
481 2HE LYS 60 HE2 LYS 60 4.025 -9.799 10.573
482 1HZ LYS 60 HZ1 LYS 60 4.103 -6.843 10.228
483 2HZ LYS 60 HZ2 LYS 60 3.488 -7.689 11.567
484 3HZ LYS 60 HZ3 LYS 60 5.146 -7.763 11.202
No H/Q in entry = 484
Start of MODEL 10
1 H TRP 1 H TRP 1 12.457 -12.533 4.111
2 HA TRP 1 HA TRP 1 12.069 -12.060 1.280
3 1HB TRP 1 HB1 TRP 1 10.047 -11.814 2.463
4 2HB TRP 1 HB2 TRP 1 10.704 -10.846 3.796
5 HD1 TRP 1 HD1 TRP 1 8.875 -10.306 0.497
6 HE1 TRP 1 HE1 TRP 1 8.522 -7.888 0.205
7 HE3 TRP 1 HE3 TRP 1 12.081 -8.652 4.154
8 HZ2 TRP 1 HZ2 TRP 1 9.739 -5.453 1.128
9 HZ3 TRP 1 HZ3 TRP 1 12.351 -6.229 4.461
10 HH2 TRP 1 HH2 TRP 1 11.156 -4.628 2.993
11 H GLN 2 H GLN 2 12.719 -10.191 0.183
12 HA GLN 2 HA GLN 2 14.473 -8.234 1.331
13 1HB GLN 2 HB1 GLN 2 15.146 -10.071 -1.068
14 2HB GLN 2 HB2 GLN 2 15.840 -8.437 -0.897
15 1HG GLN 2 HG1 GLN 2 16.893 -9.087 1.304
16 2HG GLN 2 HG2 GLN 2 16.240 -10.754 1.116
17 1HE2 GLN 2 HE21 GLN 2 19.767 -10.873 -0.072
18 2HE2 GLN 2 HE22 GLN 2 18.926 -10.629 1.443
19 HA PRO 3 HA PRO 3 11.103 -6.459 -0.631
20 1HB PRO 3 HB1 PRO 3 12.160 -3.801 -1.436
21 2HB PRO 3 HB2 PRO 3 11.247 -4.357 0.029
22 1HG PRO 3 HG1 PRO 3 14.029 -3.653 0.013
23 2HG PRO 3 HG2 PRO 3 13.136 -4.573 1.290
24 1HD PRO 3 HD1 PRO 3 14.882 -5.658 -0.928
25 2HD PRO 3 HD2 PRO 3 14.657 -6.192 0.805
26 HA PRO 4 HA PRO 4 11.145 -6.996 -5.165
27 1HB PRO 4 HB1 PRO 4 8.163 -7.648 -4.705
28 2HB PRO 4 HB2 PRO 4 9.440 -8.587 -5.567
29 1HG PRO 4 HG1 PRO 4 8.505 -9.267 -3.058
30 2HG PRO 4 HG2 PRO 4 10.249 -9.336 -3.453
31 1HD PRO 4 HD1 PRO 4 8.914 -6.969 -1.968
32 2HD PRO 4 HD2 PRO 4 10.263 -8.009 -1.527
33 H TRP 5 H TRP 5 7.872 -6.265 -5.586
34 HA TRP 5 HA TRP 5 8.434 -3.627 -6.661
35 1HB TRP 5 HB1 TRP 5 6.175 -3.698 -7.773
36 2HB TRP 5 HB2 TRP 5 7.397 -4.871 -8.256
37 HD1 TRP 5 HD1 TRP 5 6.904 -7.390 -8.041
38 HE1 TRP 5 HE1 TRP 5 4.573 -8.671 -8.066
39 HE3 TRP 5 HE3 TRP 5 3.691 -3.986 -6.074
40 HZ2 TRP 5 HZ2 TRP 5 1.833 -8.000 -8.055
41 HZ3 TRP 5 HZ3 TRP 5 1.418 -4.017 -6.451
42 HH2 TRP 5 HH2 TRP 5 0.372 -6.110 -7.404
43 H TYR 6 H TYR 6 5.723 -4.874 -4.821
44 HA TYR 6 HA TYR 6 4.077 -2.954 -4.192
45 1HB TYR 6 HB1 TYR 6 4.797 -4.795 -1.816
46 2HB TYR 6 HB2 TYR 6 3.223 -4.503 -2.625
47 HD1 TYR 6 HD1 TYR 6 2.706 -5.938 -4.682
48 HD2 TYR 6 HD2 TYR 6 6.320 -6.372 -2.421
49 HE1 TYR 6 HE1 TYR 6 2.971 -8.205 -5.588
50 HE2 TYR 6 HE2 TYR 6 6.545 -8.742 -3.415
51 HH TYR 6 HH TYR 6 4.148 -10.194 -5.388
52 H CYS 7 H CYS 7 6.604 -3.595 -1.900
53 HA CYS 7 HA CYS 7 6.114 -1.906 0.016
54 1HB CYS 7 HB1 CYS 7 8.992 -2.723 -0.824
55 2HB CYS 7 HB2 CYS 7 8.346 -2.534 0.831
56 H LYS 8 H LYS 8 7.989 -1.278 -2.857
57 HA LYS 8 HA LYS 8 8.807 1.424 -2.081
58 1HB LYS 8 HB1 LYS 8 10.470 -0.462 -2.273
59 2HB LYS 8 HB2 LYS 8 9.853 -0.846 -3.919
60 1HG LYS 8 HG1 LYS 8 10.770 1.396 -4.619
61 2HG LYS 8 HG2 LYS 8 11.478 1.572 -2.957
62 1HD LYS 8 HD1 LYS 8 12.509 -0.813 -3.391
63 2HD LYS 8 HD2 LYS 8 11.967 -0.635 -5.083
64 1HE LYS 8 HE1 LYS 8 14.021 1.169 -3.562
65 2HE LYS 8 HE2 LYS 8 14.416 -0.058 -4.826
66 1HZ LYS 8 HZ1 LYS 8 12.814 2.413 -5.230
67 2HZ LYS 8 HZ2 LYS 8 14.431 2.162 -5.689
68 3HZ LYS 8 HZ3 LYS 8 13.190 1.258 -6.417
69 H GLU 9 H GLU 9 6.000 0.328 -3.393
70 HA GLU 9 HA GLU 9 6.338 1.154 -6.139
71 1HB GLU 9 HB1 GLU 9 5.220 -0.924 -5.432
72 2HB GLU 9 HB2 GLU 9 3.834 0.042 -4.927
73 1HG GLU 9 HG1 GLU 9 3.614 -0.880 -7.203
74 2HG GLU 9 HG2 GLU 9 3.650 0.911 -7.410
75 HA PRO 10 HA PRO 10 4.757 5.183 -5.154
76 1HB PRO 10 HB1 PRO 10 3.908 5.384 -8.087
77 2HB PRO 10 HB2 PRO 10 4.854 6.559 -7.092
78 1HG PRO 10 HG1 PRO 10 6.103 4.905 -8.820
79 2HG PRO 10 HG2 PRO 10 6.790 5.027 -7.150
80 1HD PRO 10 HD1 PRO 10 4.776 2.928 -8.163
81 2HD PRO 10 HD2 PRO 10 6.405 2.634 -7.407
82 H VAL 11 H VAL 11 2.952 5.238 -3.845
83 HA VAL 11 HA VAL 11 0.406 4.203 -4.497
84 HB VAL 11 HB VAL 11 1.250 3.994 -2.307
85 1HG1 VAL 11 HG11 VAL 11 2.605 6.097 -2.056
86 2HG1 VAL 11 HG12 VAL 11 1.095 7.075 -2.048
87 3HG1 VAL 11 HG13 VAL 11 1.412 5.914 -0.719
88 1HG2 VAL 11 HG21 VAL 11 -1.235 4.087 -2.742
89 2HG2 VAL 11 HG22 VAL 11 -0.758 4.562 -1.079
90 3HG2 VAL 11 HG23 VAL 11 -1.241 5.826 -2.243
91 H ARG 12 H ARG 12 -1.408 5.135 -5.147
92 HA ARG 12 HA ARG 12 -1.374 7.939 -6.070
93 1HB ARG 12 HB1 ARG 12 -2.295 5.297 -7.404
94 2HB ARG 12 HB2 ARG 12 -2.576 6.917 -8.154
95 1HG ARG 12 HG1 ARG 12 0.078 5.594 -7.521
96 2HG ARG 12 HG2 ARG 12 -0.767 5.530 -9.116
97 1HD ARG 12 HD1 ARG 12 -0.853 7.983 -9.248
98 2HD ARG 12 HD2 ARG 12 0.291 8.114 -7.843
99 HE ARG 12 HE ARG 12 0.992 6.618 -10.456
100 1HH1 ARG 12 HH11 ARG 12 2.082 8.758 -7.862
101 2HH1 ARG 12 HH12 ARG 12 3.709 8.758 -8.470
102 1HH2 ARG 12 HH21 ARG 12 3.051 6.596 -11.043
103 2HH2 ARG 12 HH22 ARG 12 4.255 7.588 -10.282
104 H ILE 13 H ILE 13 -3.412 8.939 -5.570
105 HA ILE 13 HA ILE 13 -5.523 7.184 -4.513
106 HB ILE 13 HB ILE 13 -4.741 8.846 -3.022
107 1HG1 ILE 13 HG11 ILE 13 -7.682 8.997 -3.908
108 2HG1 ILE 13 HG12 ILE 13 -6.859 7.630 -3.087
109 1HG2 ILE 13 HG21 ILE 13 -4.486 10.930 -4.474
110 2HG2 ILE 13 HG22 ILE 13 -6.301 10.863 -4.720
111 3HG2 ILE 13 HG23 ILE 13 -5.583 11.091 -3.089
112 1HD1 ILE 13 HD11 ILE 13 -6.499 9.053 -1.058
113 2HD1 ILE 13 HD12 ILE 13 -7.321 10.433 -1.855
114 3HD1 ILE 13 HD13 ILE 13 -8.259 8.945 -1.457
115 H GLY 14 H GLY 14 -4.970 9.648 -6.970
116 1HA GLY 14 HA1 GLY 14 -5.779 9.093 -9.161
117 2HA GLY 14 HA2 GLY 14 -7.320 8.559 -8.428
118 H SER 15 H SER 15 -8.596 9.997 -9.892
119 HA SER 15 HA SER 15 -8.794 12.700 -8.874
120 1HB SER 15 HB1 SER 15 -8.018 12.303 -11.839
121 2HB SER 15 HB2 SER 15 -8.632 13.843 -11.127
122 HG SER 15 HG SER 15 -6.552 12.684 -9.717
123 H CYS 16 H CYS 16 -10.296 10.488 -8.591
124 HA CYS 16 HA CYS 16 -12.698 10.755 -10.258
125 1HB CYS 16 HB1 CYS 16 -11.243 8.538 -8.954
126 2HB CYS 16 HB2 CYS 16 -12.891 8.542 -8.312
127 H LYS 17 H LYS 17 -14.720 10.180 -8.786
128 HA LYS 17 HA LYS 17 -14.878 12.389 -6.835
129 1HB LYS 17 HB1 LYS 17 -17.118 10.929 -8.336
130 2HB LYS 17 HB2 LYS 17 -17.255 12.456 -7.407
131 1HG LYS 17 HG1 LYS 17 -15.639 11.975 -10.000
132 2HG LYS 17 HG2 LYS 17 -17.230 12.747 -9.918
133 1HD LYS 17 HD1 LYS 17 -14.596 13.846 -8.715
134 2HD LYS 17 HD2 LYS 17 -15.382 14.378 -10.231
135 1HE LYS 17 HE1 LYS 17 -16.608 14.727 -7.407
136 2HE LYS 17 HE2 LYS 17 -15.765 15.993 -8.379
137 1HZ LYS 17 HZ1 LYS 17 -17.419 15.736 -10.092
138 2HZ LYS 17 HZ2 LYS 17 -18.224 14.540 -9.193
139 3HZ LYS 17 HZ3 LYS 17 -18.133 16.130 -8.601
140 H LYS 18 H LYS 18 -13.668 9.871 -5.917
141 HA LYS 18 HA LYS 18 -15.471 9.344 -3.706
142 1HB LYS 18 HB1 LYS 18 -15.867 7.684 -5.684
143 2HB LYS 18 HB2 LYS 18 -14.245 7.061 -5.419
144 1HG LYS 18 HG1 LYS 18 -15.091 5.662 -3.944
145 2HG LYS 18 HG2 LYS 18 -15.595 6.908 -2.808
146 1HD LYS 18 HD1 LYS 18 -17.198 5.764 -5.184
147 2HD LYS 18 HD2 LYS 18 -17.500 5.442 -3.443
148 1HE LYS 18 HE1 LYS 18 -18.267 7.813 -3.104
149 2HE LYS 18 HE2 LYS 18 -17.911 8.190 -4.837
150 1HZ LYS 18 HZ1 LYS 18 -19.486 6.513 -5.481
151 2HZ LYS 18 HZ2 LYS 18 -19.831 6.153 -3.858
152 3HZ LYS 18 HZ3 LYS 18 -20.200 7.688 -4.484
153 H GLN 19 H GLN 19 -14.307 8.025 -2.027
154 HA GLN 19 HA GLN 19 -11.479 7.703 -2.116
155 1HB GLN 19 HB1 GLN 19 -12.629 8.994 0.454
156 2HB GLN 19 HB2 GLN 19 -10.951 8.657 -0.131
157 1HG GLN 19 HG1 GLN 19 -12.561 10.947 -1.423
158 2HG GLN 19 HG2 GLN 19 -11.892 11.020 0.248
159 1HE2 GLN 19 HE21 GLN 19 -9.157 11.332 -2.630
160 2HE2 GLN 19 HE22 GLN 19 -10.852 11.210 -3.073
161 H PHE 20 H PHE 20 -11.562 5.390 -1.744
162 HA PHE 20 HA PHE 20 -13.502 4.340 0.265
163 1HB PHE 20 HB1 PHE 20 -11.675 2.851 -1.753
164 2HB PHE 20 HB2 PHE 20 -12.887 2.080 -0.696
165 HD1 PHE 20 HD1 PHE 20 -15.448 2.878 -1.063
166 HD2 PHE 20 HD2 PHE 20 -12.285 3.399 -3.999
167 HE1 PHE 20 HE1 PHE 20 -17.080 2.781 -2.888
168 HE2 PHE 20 HE2 PHE 20 -13.947 3.336 -5.773
169 HZ PHE 20 HZ PHE 20 -16.351 2.980 -5.242
170 H SER 21 H SER 21 -12.550 3.585 2.345
171 HA SER 21 HA SER 21 -9.812 4.136 2.844
172 1HB SER 21 HB1 SER 21 -11.616 4.361 4.590
173 2HB SER 21 HB2 SER 21 -11.564 2.576 4.784
174 HG SER 21 HG SER 21 -10.111 3.383 6.234
175 H SER 22 H SER 22 -8.042 3.134 2.780
176 HA SER 22 HA SER 22 -7.821 0.217 2.414
177 1HB SER 22 HB1 SER 22 -6.042 0.939 0.485
178 2HB SER 22 HB2 SER 22 -7.726 1.095 0.093
179 HG SER 22 HG SER 22 -6.413 3.275 1.405
180 H PHE 23 H PHE 23 -5.252 0.007 1.976
181 HA PHE 23 HA PHE 23 -3.561 1.388 3.902
182 1HB PHE 23 HB1 PHE 23 -3.921 -1.721 3.751
183 2HB PHE 23 HB2 PHE 23 -2.539 -0.880 4.485
184 HD1 PHE 23 HD1 PHE 23 -2.686 0.307 6.563
185 HD2 PHE 23 HD2 PHE 23 -6.192 -1.484 4.854
186 HE1 PHE 23 HE1 PHE 23 -3.876 0.643 8.691
187 HE2 PHE 23 HE2 PHE 23 -7.395 -1.175 7.009
188 HZ PHE 23 HZ PHE 23 -6.247 -0.119 8.926
189 H TYR 24 H TYR 24 -1.291 1.339 3.420
190 HA TYR 24 HA TYR 24 -0.318 -0.175 1.191
191 1HB TYR 24 HB1 TYR 24 0.585 1.358 -0.248
192 2HB TYR 24 HB2 TYR 24 -1.003 2.079 0.110
193 HD1 TYR 24 HD1 TYR 24 -1.061 3.953 1.966
194 HD2 TYR 24 HD2 TYR 24 2.592 2.539 0.152
195 HE1 TYR 24 HE1 TYR 24 0.080 5.955 2.766
196 HE2 TYR 24 HE2 TYR 24 3.789 4.532 1.088
197 HH TYR 24 HH TYR 24 1.989 7.075 2.886
198 H PHE 25 H PHE 25 2.233 -0.107 1.150
199 HA PHE 25 HA PHE 25 3.192 -0.210 3.925
200 1HB PHE 25 HB1 PHE 25 3.299 -2.293 2.305
201 2HB PHE 25 HB2 PHE 25 4.599 -1.437 1.437
202 HD1 PHE 25 HD1 PHE 25 6.806 -0.967 2.781
203 HD2 PHE 25 HD2 PHE 25 3.620 -3.464 4.323
204 HE1 PHE 25 HE1 PHE 25 8.267 -1.913 4.611
205 HE2 PHE 25 HE2 PHE 25 4.924 -4.145 6.169
206 HZ PHE 25 HZ PHE 25 7.345 -3.323 6.327
207 H LYS 26 H LYS 26 4.695 1.323 4.696
208 HA LYS 26 HA LYS 26 5.718 3.254 2.763
209 1HB LYS 26 HB1 LYS 26 5.043 3.392 5.539
210 2HB LYS 26 HB2 LYS 26 6.744 3.884 5.356
211 1HG LYS 26 HG1 LYS 26 4.278 5.112 4.292
212 2HG LYS 26 HG2 LYS 26 5.687 5.679 5.343
213 1HD LYS 26 HD1 LYS 26 5.533 5.640 2.290
214 2HD LYS 26 HD2 LYS 26 5.668 6.969 3.457
215 1HE LYS 26 HE1 LYS 26 7.811 7.063 2.918
216 2HE LYS 26 HE2 LYS 26 8.005 5.705 4.096
217 1HZ LYS 26 HZ1 LYS 26 7.603 5.499 1.144
218 2HZ LYS 26 HZ2 LYS 26 9.062 5.280 1.987
219 3HZ LYS 26 HZ3 LYS 26 7.780 4.190 2.211
220 H TRP 27 H TRP 27 7.587 2.589 1.764
221 HA TRP 27 HA TRP 27 9.466 0.664 2.545
222 1HB TRP 27 HB1 TRP 27 9.320 0.988 0.308
223 2HB TRP 27 HB2 TRP 27 9.037 2.744 0.402
224 HD1 TRP 27 HD1 TRP 27 11.176 4.079 -0.542
225 HE1 TRP 27 HE1 TRP 27 13.623 3.429 -1.037
226 HE3 TRP 27 HE3 TRP 27 11.037 -0.569 1.317
227 HZ2 TRP 27 HZ2 TRP 27 15.356 1.192 -0.492
228 HZ3 TRP 27 HZ3 TRP 27 13.095 -1.925 1.494
229 HH2 TRP 27 HH2 TRP 27 15.262 -1.064 0.549
230 H THR 28 H THR 28 9.579 4.228 2.994
231 HA THR 28 HA THR 28 12.198 3.983 4.241
232 HB THR 28 HB THR 28 12.252 6.399 4.602
233 HG1 THR 28 HG1 THR 28 10.776 7.492 3.129
234 1HG2 THR 28 HG21 THR 28 13.254 5.217 2.616
235 2HG2 THR 28 HG22 THR 28 11.701 5.406 1.727
236 3HG2 THR 28 HG23 THR 28 12.666 6.859 2.187
237 H ALA 29 H ALA 29 8.781 4.070 5.451
238 HA ALA 29 HA ALA 29 9.761 4.459 8.182
239 1HB ALA 29 HB1 ALA 29 7.463 5.227 7.442
240 2HB ALA 29 HB2 ALA 29 6.951 3.501 7.366
241 3HB ALA 29 HB3 ALA 29 7.487 4.218 8.921
242 H LYS 30 H LYS 30 8.747 1.671 6.165
243 HA LYS 30 HA LYS 30 9.217 -0.411 6.183
244 1HB LYS 30 HB1 LYS 30 11.423 0.186 7.406
245 2HB LYS 30 HB2 LYS 30 10.640 -0.494 8.851
246 1HG LYS 30 HG1 LYS 30 11.946 -2.214 7.877
247 2HG LYS 30 HG2 LYS 30 10.289 -2.674 7.407
248 1HD LYS 30 HD1 LYS 30 10.701 -1.872 5.090
249 2HD LYS 30 HD2 LYS 30 12.203 -1.045 5.596
250 1HE LYS 30 HE1 LYS 30 13.189 -3.337 6.219
251 2HE LYS 30 HE2 LYS 30 11.734 -4.101 5.463
252 1HZ LYS 30 HZ1 LYS 30 13.680 -2.273 4.129
253 2HZ LYS 30 HZ2 LYS 30 13.598 -3.962 3.959
254 3HZ LYS 30 HZ3 LYS 30 12.324 -2.989 3.398
255 H LYS 31 H LYS 31 6.802 0.784 7.309
256 HA LYS 31 HA LYS 31 5.586 -1.582 8.399
257 1HB LYS 31 HB1 LYS 31 6.388 -0.358 10.411
258 2HB LYS 31 HB2 LYS 31 5.661 1.165 9.835
259 1HG LYS 31 HG1 LYS 31 4.441 0.130 11.725
260 2HG LYS 31 HG2 LYS 31 3.431 0.352 10.278
261 1HD LYS 31 HD1 LYS 31 3.839 -2.226 9.791
262 2HD LYS 31 HD2 LYS 31 4.689 -2.270 11.366
263 1HE LYS 31 HE1 LYS 31 2.311 -3.084 11.524
264 2HE LYS 31 HE2 LYS 31 2.519 -1.572 12.497
265 1HZ LYS 31 HZ1 LYS 31 1.616 -0.324 10.648
266 2HZ LYS 31 HZ2 LYS 31 1.417 -1.742 9.736
267 3HZ LYS 31 HZ3 LYS 31 0.531 -1.522 11.168
268 H CYS 32 H CYS 32 3.122 -1.095 8.465
269 HA CYS 32 HA CYS 32 2.308 -0.044 5.903
270 1HB CYS 32 HB1 CYS 32 0.789 -1.573 8.128
271 2HB CYS 32 HB2 CYS 32 0.110 -1.224 6.485
272 H LEU 33 H LEU 33 0.856 1.581 5.482
273 HA LEU 33 HA LEU 33 -0.066 3.265 7.742
274 1HB LEU 33 HB1 LEU 33 0.778 4.301 4.939
275 2HB LEU 33 HB2 LEU 33 0.223 5.268 6.345
276 HG LEU 33 HG LEU 33 2.944 3.965 5.844
277 1HD1 LEU 33 HD11 LEU 33 2.401 6.229 4.968
278 2HD1 LEU 33 HD12 LEU 33 1.979 6.804 6.626
279 3HD1 LEU 33 HD13 LEU 33 3.668 6.266 6.253
280 1HD2 LEU 33 HD21 LEU 33 1.899 5.182 8.523
281 2HD2 LEU 33 HD22 LEU 33 2.446 3.489 8.314
282 3HD2 LEU 33 HD23 LEU 33 3.617 4.828 8.144
283 HA PRO 34 HA PRO 34 -3.923 3.066 4.953
284 1HB PRO 34 HB1 PRO 34 -5.599 4.602 6.403
285 2HB PRO 34 HB2 PRO 34 -4.978 3.067 7.095
286 1HG PRO 34 HG1 PRO 34 -3.974 5.903 7.723
287 2HG PRO 34 HG2 PRO 34 -4.356 4.577 8.889
288 1HD PRO 34 HD1 PRO 34 -1.786 5.230 7.730
289 2HD PRO 34 HD2 PRO 34 -2.198 3.650 8.562
290 H PHE 35 H PHE 35 -4.796 4.172 3.546
291 HA PHE 35 HA PHE 35 -4.632 6.987 3.184
292 1HB PHE 35 HB1 PHE 35 -3.491 7.265 1.156
293 2HB PHE 35 HB2 PHE 35 -2.425 6.095 1.970
294 HD1 PHE 35 HD1 PHE 35 -3.240 3.509 1.463
295 HD2 PHE 35 HD2 PHE 35 -4.042 6.889 -1.165
296 HE1 PHE 35 HE1 PHE 35 -3.714 1.974 -0.423
297 HE2 PHE 35 HE2 PHE 35 -4.339 5.336 -3.007
298 HZ PHE 35 HZ PHE 35 -4.203 2.905 -2.667
299 H LEU 36 H LEU 36 -6.306 7.252 1.069
300 HA LEU 36 HA LEU 36 -8.252 5.085 1.143
301 1HB LEU 36 HB1 LEU 36 -8.642 8.167 0.773
302 2HB LEU 36 HB2 LEU 36 -9.792 6.901 0.359
303 HG LEU 36 HG LEU 36 -9.670 6.026 2.657
304 1HD1 LEU 36 HD11 LEU 36 -8.479 8.707 3.403
305 2HD1 LEU 36 HD12 LEU 36 -9.312 7.550 4.529
306 3HD1 LEU 36 HD13 LEU 36 -7.808 7.037 3.715
307 1HD2 LEU 36 HD21 LEU 36 -11.648 7.231 1.785
308 2HD2 LEU 36 HD22 LEU 36 -11.409 7.578 3.522
309 3HD2 LEU 36 HD23 LEU 36 -10.926 8.812 2.306
310 H PHE 37 H PHE 37 -9.139 4.679 -0.905
311 HA PHE 37 HA PHE 37 -7.454 5.412 -3.301
312 1HB PHE 37 HB1 PHE 37 -7.082 3.064 -2.730
313 2HB PHE 37 HB2 PHE 37 -8.870 2.835 -2.435
314 HD1 PHE 37 HD1 PHE 37 -7.464 4.441 -5.727
315 HD2 PHE 37 HD2 PHE 37 -9.110 0.948 -3.731
316 HE1 PHE 37 HE1 PHE 37 -7.890 3.390 -7.851
317 HE2 PHE 37 HE2 PHE 37 -9.487 -0.089 -5.945
318 HZ PHE 37 HZ PHE 37 -8.813 1.117 -8.003
319 H SER 38 H SER 38 -8.564 6.558 -4.991
320 HA SER 38 HA SER 38 -11.413 6.958 -4.653
321 1HB SER 38 HB1 SER 38 -9.519 7.984 -6.854
322 2HB SER 38 HB2 SER 38 -11.215 8.533 -6.546
323 HG SER 38 HG SER 38 -10.637 9.259 -4.578
324 H GLY 39 H GLY 39 -9.445 4.976 -6.841
325 1HA GLY 39 HA1 GLY 39 -10.606 3.075 -7.855
326 2HA GLY 39 HA2 GLY 39 -11.852 4.169 -8.379
327 H CYS 40 H CYS 40 -10.991 6.155 -9.732
328 HA CYS 40 HA CYS 40 -9.378 5.031 -11.904
329 1HB CYS 40 HB1 CYS 40 -10.254 6.623 -13.383
330 2HB CYS 40 HB2 CYS 40 -11.605 5.901 -12.490
331 H GLY 41 H GLY 41 -7.293 5.566 -12.233
332 1HA GLY 41 HA1 GLY 41 -5.496 7.209 -12.291
333 2HA GLY 41 HA2 GLY 41 -6.239 8.064 -10.931
334 H GLY 42 H GLY 42 -6.688 5.155 -9.732
335 1HA GLY 42 HA1 GLY 42 -4.140 4.985 -8.345
336 2HA GLY 42 HA2 GLY 42 -5.605 3.958 -8.142
337 H ASN 43 H ASN 43 -3.027 2.740 -7.993
338 HA ASN 43 HA ASN 43 -3.267 0.892 -10.182
339 1HB ASN 43 HB1 ASN 43 -0.905 1.109 -11.118
340 2HB ASN 43 HB2 ASN 43 -2.005 2.467 -11.448
341 1HD2 ASN 43 HD21 ASN 43 0.960 3.460 -8.779
342 2HD2 ASN 43 HD22 ASN 43 -0.024 2.037 -8.531
343 H ALA 44 H ALA 44 -3.121 -1.050 -9.449
344 HA ALA 44 HA ALA 44 -2.795 -2.827 -8.297
345 1HB ALA 44 HB1 ALA 44 -1.161 -2.694 -10.194
346 2HB ALA 44 HB2 ALA 44 0.147 -2.294 -9.034
347 3HB ALA 44 HB3 ALA 44 -0.712 -3.887 -8.937
348 H ASN 45 H ASN 45 -0.701 -0.473 -6.660
349 HA ASN 45 HA ASN 45 -0.010 -2.390 -4.533
350 1HB ASN 45 HB1 ASN 45 1.715 -0.688 -5.546
351 2HB ASN 45 HB2 ASN 45 0.794 0.614 -4.780
352 1HD2 ASN 45 HD21 ASN 45 2.960 0.012 -2.072
353 2HD2 ASN 45 HD22 ASN 45 2.160 1.113 -3.136
354 H ARG 46 H ARG 46 -2.425 -2.520 -3.983
355 HA ARG 46 HA ARG 46 -2.893 -0.789 -1.722
356 1HB ARG 46 HB1 ARG 46 -5.194 -0.090 -2.265
357 2HB ARG 46 HB2 ARG 46 -3.929 0.571 -3.309
358 1HG ARG 46 HG1 ARG 46 -4.588 -1.566 -4.903
359 2HG ARG 46 HG2 ARG 46 -6.129 -1.336 -4.005
360 1HD ARG 46 HD1 ARG 46 -6.176 -0.025 -6.148
361 2HD ARG 46 HD2 ARG 46 -6.164 1.041 -4.669
362 HE ARG 46 HE ARG 46 -3.509 0.338 -5.907
363 1HH1 ARG 46 HH11 ARG 46 -5.853 3.135 -5.724
364 2HH1 ARG 46 HH12 ARG 46 -4.490 4.199 -5.491
365 1HH2 ARG 46 HH21 ARG 46 -2.071 1.866 -5.686
366 2HH2 ARG 46 HH22 ARG 46 -2.510 3.538 -5.668
367 H PHE 47 H PHE 47 -3.662 -1.772 -0.094
368 HA PHE 47 HA PHE 47 -4.257 -4.649 -0.309
369 1HB PHE 47 HB1 PHE 47 -3.285 -2.912 2.092
370 2HB PHE 47 HB2 PHE 47 -3.241 -4.704 1.982
371 HD1 PHE 47 HD1 PHE 47 -1.991 -5.211 -0.771
372 HD2 PHE 47 HD2 PHE 47 -1.071 -2.176 2.169
373 HE1 PHE 47 HE1 PHE 47 0.317 -4.979 -1.666
374 HE2 PHE 47 HE2 PHE 47 1.214 -2.083 1.282
375 HZ PHE 47 HZ PHE 47 1.890 -3.404 -0.665
376 H GLN 48 H GLN 48 -6.193 -5.517 0.670
377 HA GLN 48 HA GLN 48 -8.321 -3.662 1.035
378 1HB GLN 48 HB1 GLN 48 -9.800 -5.466 0.936
379 2HB GLN 48 HB2 GLN 48 -8.453 -5.948 -0.118
380 1HG GLN 48 HG1 GLN 48 -9.161 -6.986 2.729
381 2HG GLN 48 HG2 GLN 48 -9.378 -7.844 1.186
382 1HE2 GLN 48 HE21 GLN 48 -5.957 -8.868 0.949
383 2HE2 GLN 48 HE22 GLN 48 -7.258 -8.327 -0.059
384 H THR 49 H THR 49 -6.406 -5.578 3.312
385 HA THR 49 HA THR 49 -7.586 -4.141 5.604
386 HB THR 49 HB THR 49 -7.072 -6.096 7.066
387 HG1 THR 49 HG1 THR 49 -6.623 -7.537 4.624
388 1HG2 THR 49 HG21 THR 49 -9.352 -5.816 6.140
389 2HG2 THR 49 HG22 THR 49 -8.926 -6.870 4.749
390 3HG2 THR 49 HG23 THR 49 -8.908 -7.539 6.414
391 H ILE 50 H ILE 50 -5.869 -4.448 7.511
392 HA ILE 50 HA ILE 50 -3.379 -3.277 6.767
393 HB ILE 50 HB ILE 50 -4.770 -2.594 8.645
394 1HG1 ILE 50 HG11 ILE 50 -2.002 -3.503 9.589
395 2HG1 ILE 50 HG12 ILE 50 -2.353 -2.077 8.553
396 1HG2 ILE 50 HG21 ILE 50 -5.621 -4.896 9.355
397 2HG2 ILE 50 HG22 ILE 50 -3.999 -5.221 10.058
398 3HG2 ILE 50 HG23 ILE 50 -5.005 -3.891 10.704
399 1HD1 ILE 50 HD11 ILE 50 -3.851 -1.148 10.381
400 2HD1 ILE 50 HD12 ILE 50 -3.345 -2.509 11.454
401 3HD1 ILE 50 HD13 ILE 50 -2.130 -1.309 10.875
402 H GLY 51 H GLY 51 -4.424 -6.571 7.103
403 1HA GLY 51 HA1 GLY 51 -1.724 -7.545 7.751
404 2HA GLY 51 HA2 GLY 51 -3.232 -8.465 7.715
405 H GLU 52 H GLU 52 -3.447 -6.896 4.885
406 HA GLU 52 HA GLU 52 -2.154 -8.976 3.279
407 1HB GLU 52 HB1 GLU 52 -4.424 -8.266 2.794
408 2HB GLU 52 HB2 GLU 52 -3.953 -6.563 2.623
409 1HG GLU 52 HG1 GLU 52 -4.315 -7.552 0.352
410 2HG GLU 52 HG2 GLU 52 -2.583 -7.155 0.509
411 H CYS 53 H CYS 53 -1.491 -5.849 4.431
412 HA CYS 53 HA CYS 53 0.171 -4.757 2.476
413 1HB CYS 53 HB1 CYS 53 -1.032 -3.441 4.363
414 2HB CYS 53 HB2 CYS 53 -0.157 -4.321 5.539
415 H ARG 54 H ARG 54 1.090 -6.122 5.512
416 HA ARG 54 HA ARG 54 3.901 -6.192 5.283
417 1HB ARG 54 HB1 ARG 54 3.814 -7.054 7.450
418 2HB ARG 54 HB2 ARG 54 2.566 -5.821 7.222
419 1HG ARG 54 HG1 ARG 54 1.014 -7.962 6.616
420 2HG ARG 54 HG2 ARG 54 2.266 -8.841 7.546
421 1HD ARG 54 HD1 ARG 54 1.926 -7.134 9.437
422 2HD ARG 54 HD2 ARG 54 0.586 -6.413 8.456
423 HE ARG 54 HE ARG 54 -0.366 -8.984 8.533
424 1HH1 ARG 54 HH11 ARG 54 1.507 -7.692 11.261
425 2HH1 ARG 54 HH12 ARG 54 1.014 -9.014 12.265
426 1HH2 ARG 54 HH21 ARG 54 -0.841 -10.634 9.971
427 2HH2 ARG 54 HH22 ARG 54 -0.332 -10.487 11.615
428 H LYS 55 H LYS 55 1.709 -8.588 3.985
429 HA LYS 55 HA LYS 55 3.355 -10.945 4.182
430 1HB LYS 55 HB1 LYS 55 1.004 -9.938 2.456
431 2HB LYS 55 HB2 LYS 55 1.753 -11.504 1.987
432 1HG LYS 55 HG1 LYS 55 0.641 -11.094 4.797
433 2HG LYS 55 HG2 LYS 55 -0.332 -11.620 3.384
434 1HD LYS 55 HD1 LYS 55 1.123 -13.588 3.017
435 2HD LYS 55 HD2 LYS 55 2.243 -12.989 4.282
436 1HE LYS 55 HE1 LYS 55 0.920 -14.742 5.295
437 2HE LYS 55 HE2 LYS 55 0.357 -13.172 5.999
438 1HZ LYS 55 HZ1 LYS 55 -0.917 -14.672 3.751
439 2HZ LYS 55 HZ2 LYS 55 -1.468 -14.602 5.357
440 3HZ LYS 55 HZ3 LYS 55 -1.461 -13.198 4.398
441 H LYS 56 H LYS 56 2.752 -8.716 1.545
442 HA LYS 56 HA LYS 56 4.606 -9.575 -0.394
443 1HB LYS 56 HB1 LYS 56 2.658 -7.318 0.059
444 2HB LYS 56 HB2 LYS 56 3.882 -7.052 -1.202
445 1HG LYS 56 HG1 LYS 56 3.360 -9.051 -2.397
446 2HG LYS 56 HG2 LYS 56 2.104 -9.520 -1.202
447 1HD LYS 56 HD1 LYS 56 1.892 -6.809 -2.820
448 2HD LYS 56 HD2 LYS 56 1.363 -8.415 -3.415
449 1HE LYS 56 HE1 LYS 56 -0.103 -8.825 -1.438
450 2HE LYS 56 HE2 LYS 56 0.364 -7.238 -0.723
451 1HZ LYS 56 HZ1 LYS 56 -0.979 -7.666 -3.338
452 2HZ LYS 56 HZ2 LYS 56 -1.705 -7.139 -1.895
453 3HZ LYS 56 HZ3 LYS 56 -0.548 -6.166 -2.667
454 H CYS 57 H CYS 57 4.913 -7.454 2.401
455 HA CYS 57 HA CYS 57 7.487 -6.378 1.326
456 1HB CYS 57 HB1 CYS 57 5.180 -4.987 2.823
457 2HB CYS 57 HB2 CYS 57 6.796 -4.217 2.629
458 H LEU 58 H LEU 58 6.588 -8.340 4.032
459 HA LEU 58 HA LEU 58 9.130 -7.340 5.259
460 1HB LEU 58 HB1 LEU 58 6.482 -7.645 6.652
461 2HB LEU 58 HB2 LEU 58 7.963 -8.042 7.594
462 HG LEU 58 HG LEU 58 7.512 -5.389 6.216
463 1HD1 LEU 58 HD11 LEU 58 5.877 -5.746 8.134
464 2HD1 LEU 58 HD12 LEU 58 7.230 -6.231 9.206
465 3HD1 LEU 58 HD13 LEU 58 7.135 -4.535 8.601
466 1HD2 LEU 58 HD21 LEU 58 9.644 -6.288 8.245
467 2HD2 LEU 58 HD22 LEU 58 9.923 -5.777 6.536
468 3HD2 LEU 58 HD23 LEU 58 9.329 -4.586 7.744
469 H GLY 59 H GLY 59 7.316 -9.955 4.054
470 1HA GLY 59 HA1 GLY 59 7.560 -12.104 3.906
471 2HA GLY 59 HA2 GLY 59 9.113 -12.025 4.844
472 H LYS 60 H LYS 60 5.529 -11.635 5.298
473 HA LYS 60 HA LYS 60 5.557 -13.454 7.540
474 1HB LYS 60 HB1 LYS 60 4.390 -11.693 8.994
475 2HB LYS 60 HB2 LYS 60 6.178 -11.564 8.826
476 1HG LYS 60 HG1 LYS 60 5.875 -9.767 7.047
477 2HG LYS 60 HG2 LYS 60 4.121 -9.825 7.345
478 1HD LYS 60 HD1 LYS 60 6.382 -9.002 9.271
479 2HD LYS 60 HD2 LYS 60 5.190 -7.965 8.415
480 1HE LYS 60 HE1 LYS 60 3.343 -9.145 9.828
481 2HE LYS 60 HE2 LYS 60 4.663 -9.972 10.742
482 1HZ LYS 60 HZ1 LYS 60 4.294 -7.032 10.467
483 2HZ LYS 60 HZ2 LYS 60 3.919 -7.976 11.827
484 3HZ LYS 60 HZ3 LYS 60 5.535 -7.808 11.329
No H/Q in entry = 484
Start of MODEL 11
1 H TRP 1 H TRP 1 12.971 -12.464 3.925
2 HA TRP 1 HA TRP 1 11.528 -12.246 1.629
3 1HB TRP 1 HB1 TRP 1 9.470 -11.875 2.654
4 2HB TRP 1 HB2 TRP 1 10.031 -10.908 4.026
5 HD1 TRP 1 HD1 TRP 1 8.411 -10.294 0.667
6 HE1 TRP 1 HE1 TRP 1 8.239 -7.896 0.328
7 HE3 TRP 1 HE3 TRP 1 11.535 -8.796 4.441
8 HZ2 TRP 1 HZ2 TRP 1 9.563 -5.499 1.269
9 HZ3 TRP 1 HZ3 TRP 1 11.981 -6.393 4.703
10 HH2 TRP 1 HH2 TRP 1 10.958 -4.745 3.135
11 H GLN 2 H GLN 2 12.253 -10.338 0.446
12 HA GLN 2 HA GLN 2 14.089 -8.471 1.649
13 1HB GLN 2 HB1 GLN 2 14.651 -10.142 -0.904
14 2HB GLN 2 HB2 GLN 2 15.506 -8.643 -0.435
15 1HG GLN 2 HG1 GLN 2 16.278 -9.750 1.714
16 2HG GLN 2 HG2 GLN 2 15.567 -11.304 1.154
17 1HE2 GLN 2 HE21 GLN 2 18.093 -11.515 -1.533
18 2HE2 GLN 2 HE22 GLN 2 16.368 -11.741 -1.357
19 HA PRO 3 HA PRO 3 10.898 -6.494 -0.414
20 1HB PRO 3 HB1 PRO 3 12.110 -3.885 -1.202
21 2HB PRO 3 HB2 PRO 3 11.097 -4.390 0.220
22 1HG PRO 3 HG1 PRO 3 13.983 -3.873 0.209
23 2HG PRO 3 HG2 PRO 3 12.964 -4.435 1.567
24 1HD PRO 3 HD1 PRO 3 14.764 -6.083 -0.182
25 2HD PRO 3 HD2 PRO 3 14.106 -6.406 1.475
26 HA PRO 4 HA PRO 4 11.293 -7.041 -4.968
27 1HB PRO 4 HB1 PRO 4 8.795 -8.120 -5.385
28 2HB PRO 4 HB2 PRO 4 9.879 -8.930 -4.231
29 1HG PRO 4 HG1 PRO 4 7.848 -6.865 -3.453
30 2HG PRO 4 HG2 PRO 4 8.043 -8.606 -2.838
31 1HD PRO 4 HD1 PRO 4 9.009 -6.382 -1.569
32 2HD PRO 4 HD2 PRO 4 9.852 -8.001 -1.594
33 H TRP 5 H TRP 5 8.002 -6.358 -5.518
34 HA TRP 5 HA TRP 5 8.553 -3.727 -6.619
35 1HB TRP 5 HB1 TRP 5 6.306 -3.763 -7.740
36 2HB TRP 5 HB2 TRP 5 7.538 -4.920 -8.238
37 HD1 TRP 5 HD1 TRP 5 7.049 -7.398 -8.219
38 HE1 TRP 5 HE1 TRP 5 4.753 -8.753 -8.074
39 HE3 TRP 5 HE3 TRP 5 3.752 -4.041 -6.194
40 HZ2 TRP 5 HZ2 TRP 5 2.027 -8.121 -8.223
41 HZ3 TRP 5 HZ3 TRP 5 1.470 -4.172 -6.653
42 HH2 TRP 5 HH2 TRP 5 0.520 -6.247 -7.624
43 H TYR 6 H TYR 6 5.721 -4.932 -4.840
44 HA TYR 6 HA TYR 6 4.184 -2.941 -4.260
45 1HB TYR 6 HB1 TYR 6 4.705 -4.765 -1.837
46 2HB TYR 6 HB2 TYR 6 3.186 -4.424 -2.731
47 HD1 TYR 6 HD1 TYR 6 2.752 -5.873 -4.831
48 HD2 TYR 6 HD2 TYR 6 6.040 -6.487 -2.208
49 HE1 TYR 6 HE1 TYR 6 2.910 -8.207 -5.628
50 HE2 TYR 6 HE2 TYR 6 6.125 -8.966 -3.014
51 HH TYR 6 HH TYR 6 3.940 -10.201 -5.386
52 H CYS 7 H CYS 7 6.728 -3.617 -1.972
53 HA CYS 7 HA CYS 7 6.133 -1.872 -0.086
54 1HB CYS 7 HB1 CYS 7 9.020 -2.815 -0.657
55 2HB CYS 7 HB2 CYS 7 8.198 -2.558 0.919
56 H LYS 8 H LYS 8 8.026 -1.238 -2.925
57 HA LYS 8 HA LYS 8 8.875 1.469 -2.108
58 1HB LYS 8 HB1 LYS 8 10.533 -0.423 -2.296
59 2HB LYS 8 HB2 LYS 8 9.899 -0.847 -3.921
60 1HG LYS 8 HG1 LYS 8 10.859 1.311 -4.743
61 2HG LYS 8 HG2 LYS 8 11.562 1.598 -3.096
62 1HD LYS 8 HD1 LYS 8 12.622 -0.752 -3.255
63 2HD LYS 8 HD2 LYS 8 12.000 -0.879 -4.925
64 1HE LYS 8 HE1 LYS 8 14.039 1.278 -3.977
65 2HE LYS 8 HE2 LYS 8 14.466 -0.259 -4.826
66 1HZ LYS 8 HZ1 LYS 8 13.165 0.467 -6.698
67 2HZ LYS 8 HZ2 LYS 8 12.752 1.911 -5.904
68 3HZ LYS 8 HZ3 LYS 8 14.372 1.596 -6.309
69 H GLU 9 H GLU 9 6.186 0.226 -3.426
70 HA GLU 9 HA GLU 9 6.385 1.088 -6.161
71 1HB GLU 9 HB1 GLU 9 5.463 -1.018 -5.507
72 2HB GLU 9 HB2 GLU 9 4.081 -0.196 -4.792
73 1HG GLU 9 HG1 GLU 9 3.623 -0.997 -7.069
74 2HG GLU 9 HG2 GLU 9 3.585 0.789 -7.200
75 HA PRO 10 HA PRO 10 4.952 5.114 -5.072
76 1HB PRO 10 HB1 PRO 10 3.918 5.304 -7.962
77 2HB PRO 10 HB2 PRO 10 4.872 6.527 -7.023
78 1HG PRO 10 HG1 PRO 10 6.134 4.898 -8.758
79 2HG PRO 10 HG2 PRO 10 6.843 5.040 -7.097
80 1HD PRO 10 HD1 PRO 10 4.905 2.890 -8.121
81 2HD PRO 10 HD2 PRO 10 6.509 2.623 -7.330
82 H VAL 11 H VAL 11 3.282 5.629 -3.701
83 HA VAL 11 HA VAL 11 0.670 4.624 -3.992
84 HB VAL 11 HB VAL 11 1.758 4.944 -1.868
85 1HG1 VAL 11 HG11 VAL 11 2.874 7.162 -2.225
86 2HG1 VAL 11 HG12 VAL 11 1.268 7.980 -2.236
87 3HG1 VAL 11 HG13 VAL 11 1.837 7.146 -0.759
88 1HG2 VAL 11 HG21 VAL 11 -1.016 6.312 -2.232
89 2HG2 VAL 11 HG22 VAL 11 -0.655 4.579 -1.962
90 3HG2 VAL 11 HG23 VAL 11 -0.305 5.771 -0.660
91 H ARG 12 H ARG 12 -1.276 5.486 -4.384
92 HA ARG 12 HA ARG 12 -1.470 8.053 -5.809
93 1HB ARG 12 HB1 ARG 12 -2.266 5.168 -6.584
94 2HB ARG 12 HB2 ARG 12 -3.092 6.536 -7.336
95 1HG ARG 12 HG1 ARG 12 -0.160 5.867 -7.497
96 2HG ARG 12 HG2 ARG 12 -1.394 5.731 -8.800
97 1HD ARG 12 HD1 ARG 12 -0.292 8.360 -7.585
98 2HD ARG 12 HD2 ARG 12 -0.047 7.706 -9.246
99 HE ARG 12 HE ARG 12 -2.568 7.900 -9.597
100 1HH1 ARG 12 HH11 ARG 12 -1.365 9.949 -6.927
101 2HH1 ARG 12 HH12 ARG 12 -2.756 10.951 -7.020
102 1HH2 ARG 12 HH21 ARG 12 -4.137 9.377 -9.685
103 2HH2 ARG 12 HH22 ARG 12 -4.258 10.610 -8.509
104 H ILE 13 H ILE 13 -4.028 7.764 -6.489
105 HA ILE 13 HA ILE 13 -5.778 6.884 -4.519
106 HB ILE 13 HB ILE 13 -5.001 8.907 -3.531
107 1HG1 ILE 13 HG11 ILE 13 -7.978 9.010 -4.295
108 2HG1 ILE 13 HG12 ILE 13 -7.166 7.732 -3.319
109 1HG2 ILE 13 HG21 ILE 13 -4.675 10.391 -5.449
110 2HG2 ILE 13 HG22 ILE 13 -6.481 10.456 -5.698
111 3HG2 ILE 13 HG23 ILE 13 -5.745 11.097 -4.191
112 1HD1 ILE 13 HD11 ILE 13 -6.529 9.305 -1.579
113 2HD1 ILE 13 HD12 ILE 13 -7.264 10.702 -2.487
114 3HD1 ILE 13 HD13 ILE 13 -8.319 9.388 -1.806
115 H GLY 14 H GLY 14 -5.117 8.593 -7.563
116 1HA GLY 14 HA1 GLY 14 -6.212 7.988 -9.569
117 2HA GLY 14 HA2 GLY 14 -7.724 7.623 -8.679
118 H SER 15 H SER 15 -8.288 9.612 -7.198
119 HA SER 15 HA SER 15 -8.726 11.659 -6.767
120 1HB SER 15 HB1 SER 15 -7.173 12.657 -9.182
121 2HB SER 15 HB2 SER 15 -8.080 13.704 -8.022
122 HG SER 15 HG SER 15 -5.968 13.508 -7.360
123 H CYS 16 H CYS 16 -10.472 9.986 -7.490
124 HA CYS 16 HA CYS 16 -12.298 11.199 -9.465
125 1HB CYS 16 HB1 CYS 16 -11.710 8.669 -9.055
126 2HB CYS 16 HB2 CYS 16 -12.986 8.646 -7.876
127 H LYS 17 H LYS 17 -14.554 10.251 -8.259
128 HA LYS 17 HA LYS 17 -15.222 12.616 -6.713
129 1HB LYS 17 HB1 LYS 17 -17.000 10.473 -7.967
130 2HB LYS 17 HB2 LYS 17 -17.561 12.052 -7.326
131 1HG LYS 17 HG1 LYS 17 -15.507 11.715 -9.639
132 2HG LYS 17 HG2 LYS 17 -17.233 11.880 -9.890
133 1HD LYS 17 HD1 LYS 17 -15.426 13.974 -8.497
134 2HD LYS 17 HD2 LYS 17 -15.929 13.999 -10.216
135 1HE LYS 17 HE1 LYS 17 -17.892 14.263 -7.835
136 2HE LYS 17 HE2 LYS 17 -17.251 15.602 -8.861
137 1HZ LYS 17 HZ1 LYS 17 -18.241 14.565 -10.778
138 2HZ LYS 17 HZ2 LYS 17 -18.845 13.291 -9.831
139 3HZ LYS 17 HZ3 LYS 17 -19.404 14.874 -9.579
140 H LYS 18 H LYS 18 -14.529 9.338 -5.601
141 HA LYS 18 HA LYS 18 -15.464 10.209 -2.999
142 1HB LYS 18 HB1 LYS 18 -17.506 9.096 -3.854
143 2HB LYS 18 HB2 LYS 18 -16.582 7.614 -4.250
144 1HG LYS 18 HG1 LYS 18 -16.187 7.162 -1.866
145 2HG LYS 18 HG2 LYS 18 -16.698 8.814 -1.409
146 1HD LYS 18 HD1 LYS 18 -19.047 8.296 -2.017
147 2HD LYS 18 HD2 LYS 18 -18.544 6.718 -2.696
148 1HE LYS 18 HE1 LYS 18 -17.802 5.974 -0.374
149 2HE LYS 18 HE2 LYS 18 -18.477 7.512 0.308
150 1HZ LYS 18 HZ1 LYS 18 -19.972 5.472 -1.241
151 2HZ LYS 18 HZ2 LYS 18 -20.018 5.714 0.439
152 3HZ LYS 18 HZ3 LYS 18 -20.606 6.915 -0.608
153 H GLN 19 H GLN 19 -14.232 9.374 -1.372
154 HA GLN 19 HA GLN 19 -11.892 7.778 -2.169
155 1HB GLN 19 HB1 GLN 19 -12.045 9.242 0.576
156 2HB GLN 19 HB2 GLN 19 -10.672 8.698 -0.396
157 1HG GLN 19 HG1 GLN 19 -10.702 11.031 -0.342
158 2HG GLN 19 HG2 GLN 19 -10.757 10.343 -2.007
159 1HE2 GLN 19 HE21 GLN 19 -13.194 12.863 -2.607
160 2HE2 GLN 19 HE22 GLN 19 -11.580 12.265 -2.929
161 H PHE 20 H PHE 20 -11.837 5.593 -1.651
162 HA PHE 20 HA PHE 20 -13.604 4.570 0.488
163 1HB PHE 20 HB1 PHE 20 -12.269 2.821 -1.675
164 2HB PHE 20 HB2 PHE 20 -13.763 2.503 -0.741
165 HD1 PHE 20 HD1 PHE 20 -15.752 4.364 -1.270
166 HD2 PHE 20 HD2 PHE 20 -12.479 3.418 -3.953
167 HE1 PHE 20 HE1 PHE 20 -17.090 5.066 -3.209
168 HE2 PHE 20 HE2 PHE 20 -13.794 4.143 -5.836
169 HZ PHE 20 HZ PHE 20 -16.137 4.985 -5.494
170 H SER 21 H SER 21 -12.398 3.532 2.266
171 HA SER 21 HA SER 21 -9.654 4.241 2.435
172 1HB SER 21 HB1 SER 21 -11.257 4.098 4.415
173 2HB SER 21 HB2 SER 21 -11.001 2.327 4.425
174 HG SER 21 HG SER 21 -8.644 2.990 4.554
175 H SER 22 H SER 22 -7.692 3.198 2.445
176 HA SER 22 HA SER 22 -7.540 0.320 1.833
177 1HB SER 22 HB1 SER 22 -5.670 0.926 0.107
178 2HB SER 22 HB2 SER 22 -7.243 1.492 -0.386
179 HG SER 22 HG SER 22 -5.510 3.163 1.064
180 H PHE 23 H PHE 23 -4.938 -0.013 1.645
181 HA PHE 23 HA PHE 23 -3.409 1.392 3.690
182 1HB PHE 23 HB1 PHE 23 -3.538 -1.747 3.730
183 2HB PHE 23 HB2 PHE 23 -2.389 -0.678 4.524
184 HD1 PHE 23 HD1 PHE 23 -2.909 0.616 6.456
185 HD2 PHE 23 HD2 PHE 23 -5.963 -1.693 4.517
186 HE1 PHE 23 HE1 PHE 23 -4.361 0.908 8.434
187 HE2 PHE 23 HE2 PHE 23 -7.427 -1.417 6.502
188 HZ PHE 23 HZ PHE 23 -6.621 -0.144 8.476
189 H TYR 24 H TYR 24 -1.139 1.476 3.312
190 HA TYR 24 HA TYR 24 -0.037 -0.011 1.075
191 1HB TYR 24 HB1 TYR 24 0.938 1.677 -0.194
192 2HB TYR 24 HB2 TYR 24 -0.720 2.248 0.082
193 HD1 TYR 24 HD1 TYR 24 -1.071 4.045 1.967
194 HD2 TYR 24 HD2 TYR 24 2.814 2.966 0.448
195 HE1 TYR 24 HE1 TYR 24 -0.184 6.112 2.872
196 HE2 TYR 24 HE2 TYR 24 3.751 5.089 1.460
197 HH TYR 24 HH TYR 24 1.673 7.487 3.018
198 H PHE 25 H PHE 25 2.475 0.078 1.150
199 HA PHE 25 HA PHE 25 3.351 -0.038 3.968
200 1HB PHE 25 HB1 PHE 25 3.462 -2.086 2.348
201 2HB PHE 25 HB2 PHE 25 4.848 -1.291 1.552
202 HD1 PHE 25 HD1 PHE 25 6.964 -0.930 2.970
203 HD2 PHE 25 HD2 PHE 25 3.688 -3.304 4.403
204 HE1 PHE 25 HE1 PHE 25 8.328 -1.914 4.845
205 HE2 PHE 25 HE2 PHE 25 4.856 -3.951 6.353
206 HZ PHE 25 HZ PHE 25 7.282 -3.163 6.601
207 H LYS 26 H LYS 26 4.819 1.657 4.766
208 HA LYS 26 HA LYS 26 5.620 3.617 2.894
209 1HB LYS 26 HB1 LYS 26 4.673 4.368 4.743
210 2HB LYS 26 HB2 LYS 26 5.853 3.573 5.866
211 1HG LYS 26 HG1 LYS 26 7.601 5.204 4.582
212 2HG LYS 26 HG2 LYS 26 6.153 5.367 3.505
213 1HD LYS 26 HD1 LYS 26 4.923 6.246 5.233
214 2HD LYS 26 HD2 LYS 26 6.360 6.383 6.352
215 1HE LYS 26 HE1 LYS 26 5.829 7.452 3.570
216 2HE LYS 26 HE2 LYS 26 5.850 8.546 5.045
217 1HZ LYS 26 HZ1 LYS 26 8.195 7.076 3.939
218 2HZ LYS 26 HZ2 LYS 26 7.923 8.748 3.814
219 3HZ LYS 26 HZ3 LYS 26 8.190 8.042 5.336
220 H TRP 27 H TRP 27 7.480 2.917 1.655
221 HA TRP 27 HA TRP 27 9.337 1.054 2.184
222 1HB TRP 27 HB1 TRP 27 8.914 1.880 -0.037
223 2HB TRP 27 HB2 TRP 27 9.202 3.531 0.385
224 HD1 TRP 27 HD1 TRP 27 11.274 4.402 -0.734
225 HE1 TRP 27 HE1 TRP 27 13.656 3.466 -1.289
226 HE3 TRP 27 HE3 TRP 27 10.625 -0.246 0.987
227 HZ2 TRP 27 HZ2 TRP 27 15.099 1.051 -0.821
228 HZ3 TRP 27 HZ3 TRP 27 12.500 -1.898 0.947
229 HH2 TRP 27 HH2 TRP 27 14.718 -1.248 0.034
230 H THR 28 H THR 28 9.770 4.538 2.875
231 HA THR 28 HA THR 28 12.412 4.104 3.970
232 HB THR 28 HB THR 28 12.222 6.725 4.323
233 HG1 THR 28 HG1 THR 28 9.996 6.918 3.937
234 1HG2 THR 28 HG21 THR 28 12.190 5.372 1.557
235 2HG2 THR 28 HG22 THR 28 12.802 7.023 1.937
236 3HG2 THR 28 HG23 THR 28 13.625 5.578 2.626
237 H ALA 29 H ALA 29 9.412 3.570 5.314
238 HA ALA 29 HA ALA 29 10.307 4.472 8.023
239 1HB ALA 29 HB1 ALA 29 8.137 5.446 7.309
240 2HB ALA 29 HB2 ALA 29 7.455 3.794 7.102
241 3HB ALA 29 HB3 ALA 29 7.953 4.375 8.735
242 H LYS 30 H LYS 30 9.036 1.718 6.134
243 HA LYS 30 HA LYS 30 9.384 -0.408 6.275
244 1HB LYS 30 HB1 LYS 30 11.585 0.136 7.563
245 2HB LYS 30 HB2 LYS 30 10.719 -0.471 8.997
246 1HG LYS 30 HG1 LYS 30 11.931 -2.312 8.120
247 2HG LYS 30 HG2 LYS 30 10.272 -2.639 7.542
248 1HD LYS 30 HD1 LYS 30 10.925 -1.654 5.279
249 2HD LYS 30 HD2 LYS 30 12.535 -1.240 5.953
250 1HE LYS 30 HE1 LYS 30 13.024 -3.682 6.323
251 2HE LYS 30 HE2 LYS 30 11.426 -4.083 5.571
252 1HZ LYS 30 HZ3 LYS 30 12.182 -2.949 3.563
253 2HZ LYS 30 HZ1 LYS 30 13.668 -2.569 4.293
254 3HZ LYS 30 HZ2 LYS 30 13.257 -4.190 3.996
255 H LYS 31 H LYS 31 6.998 0.983 7.255
256 HA LYS 31 HA LYS 31 5.690 -1.216 8.618
257 1HB LYS 31 HB1 LYS 31 6.577 0.347 10.398
258 2HB LYS 31 HB2 LYS 31 5.737 1.720 9.637
259 1HG LYS 31 HG1 LYS 31 3.535 0.634 10.224
260 2HG LYS 31 HG2 LYS 31 4.434 -0.740 11.001
261 1HD LYS 31 HD1 LYS 31 5.427 0.859 12.639
262 2HD LYS 31 HD2 LYS 31 4.663 2.230 11.767
263 1HE LYS 31 HE1 LYS 31 3.350 1.814 13.764
264 2HE LYS 31 HE2 LYS 31 2.360 1.314 12.334
265 1HZ LYS 31 HZ1 LYS 31 3.929 -0.479 14.124
266 2HZ LYS 31 HZ2 LYS 31 2.244 -0.262 14.128
267 3HZ LYS 31 HZ3 LYS 31 3.007 -0.968 12.784
268 H CYS 32 H CYS 32 3.324 -1.011 8.407
269 HA CYS 32 HA CYS 32 2.434 0.049 5.884
270 1HB CYS 32 HB1 CYS 32 0.898 -1.460 8.132
271 2HB CYS 32 HB2 CYS 32 0.247 -1.225 6.456
272 H LEU 33 H LEU 33 0.967 1.646 5.460
273 HA LEU 33 HA LEU 33 -0.050 3.270 7.695
274 1HB LEU 33 HB1 LEU 33 0.786 4.463 4.984
275 2HB LEU 33 HB2 LEU 33 0.227 5.287 6.345
276 HG LEU 33 HG LEU 33 3.014 4.121 6.031
277 1HD1 LEU 33 HD11 LEU 33 1.690 6.916 6.293
278 2HD1 LEU 33 HD12 LEU 33 3.435 6.617 6.568
279 3HD1 LEU 33 HD13 LEU 33 2.722 6.245 4.958
280 1HD2 LEU 33 HD21 LEU 33 1.488 5.373 8.407
281 2HD2 LEU 33 HD22 LEU 33 2.237 3.733 8.402
282 3HD2 LEU 33 HD23 LEU 33 3.285 5.199 8.370
283 HA PRO 34 HA PRO 34 -3.725 2.988 4.811
284 1HB PRO 34 HB1 PRO 34 -5.466 4.647 6.155
285 2HB PRO 34 HB2 PRO 34 -4.888 3.109 6.869
286 1HG PRO 34 HG1 PRO 34 -4.065 5.913 7.684
287 2HG PRO 34 HG2 PRO 34 -4.135 4.393 8.666
288 1HD PRO 34 HD1 PRO 34 -1.896 5.605 7.130
289 2HD PRO 34 HD2 PRO 34 -1.754 4.196 8.250
290 H PHE 35 H PHE 35 -4.981 4.187 3.554
291 HA PHE 35 HA PHE 35 -4.710 6.921 3.014
292 1HB PHE 35 HB1 PHE 35 -3.661 7.143 0.931
293 2HB PHE 35 HB2 PHE 35 -2.552 6.055 1.789
294 HD1 PHE 35 HD1 PHE 35 -3.082 3.339 1.264
295 HD2 PHE 35 HD2 PHE 35 -4.415 6.628 -1.306
296 HE1 PHE 35 HE1 PHE 35 -3.062 1.872 -0.667
297 HE2 PHE 35 HE2 PHE 35 -4.489 5.066 -3.135
298 HZ PHE 35 HZ PHE 35 -3.749 2.740 -2.865
299 H LEU 36 H LEU 36 -6.268 7.049 0.619
300 HA LEU 36 HA LEU 36 -8.279 4.995 0.843
301 1HB LEU 36 HB1 LEU 36 -8.569 7.999 -0.004
302 2HB LEU 36 HB2 LEU 36 -9.820 6.760 0.268
303 HG LEU 36 HG LEU 36 -10.021 8.344 1.736
304 1HD1 LEU 36 HD11 LEU 36 -10.407 6.268 2.834
305 2HD1 LEU 36 HD12 LEU 36 -8.690 6.174 3.417
306 3HD1 LEU 36 HD13 LEU 36 -9.801 7.459 4.026
307 1HD2 LEU 36 HD21 LEU 36 -8.035 9.583 1.505
308 2HD2 LEU 36 HD22 LEU 36 -8.719 9.572 3.159
309 3HD2 LEU 36 HD23 LEU 36 -7.236 8.616 2.842
310 H PHE 37 H PHE 37 -8.928 4.375 -1.264
311 HA PHE 37 HA PHE 37 -7.483 5.467 -3.630
312 1HB PHE 37 HB1 PHE 37 -6.775 3.198 -3.303
313 2HB PHE 37 HB2 PHE 37 -8.451 2.687 -2.834
314 HD1 PHE 37 HD1 PHE 37 -6.418 3.760 -6.040
315 HD2 PHE 37 HD2 PHE 37 -9.905 1.807 -4.319
316 HE1 PHE 37 HE1 PHE 37 -6.827 2.603 -8.103
317 HE2 PHE 37 HE2 PHE 37 -10.376 0.804 -6.516
318 HZ PHE 37 HZ PHE 37 -8.765 1.083 -8.377
319 H SER 38 H SER 38 -8.799 6.341 -5.252
320 HA SER 38 HA SER 38 -11.723 6.546 -4.682
321 1HB SER 38 HB1 SER 38 -11.737 8.625 -5.939
322 2HB SER 38 HB2 SER 38 -10.631 8.663 -4.542
323 HG SER 38 HG SER 38 -8.969 7.968 -6.276
324 H GLY 39 H GLY 39 -9.695 4.697 -6.636
325 1HA GLY 39 HA1 GLY 39 -10.456 3.107 -7.983
326 2HA GLY 39 HA2 GLY 39 -12.002 3.844 -8.182
327 H CYS 40 H CYS 40 -11.481 6.183 -9.421
328 HA CYS 40 HA CYS 40 -10.828 5.450 -12.060
329 1HB CYS 40 HB1 CYS 40 -11.284 8.355 -11.236
330 2HB CYS 40 HB2 CYS 40 -11.763 7.518 -12.730
331 H GLY 41 H GLY 41 -8.489 4.877 -11.293
332 1HA GLY 41 HA1 GLY 41 -6.668 5.508 -12.910
333 2HA GLY 41 HA2 GLY 41 -6.727 7.145 -12.220
334 H GLY 42 H GLY 42 -6.490 4.116 -10.171
335 1HA GLY 42 HA1 GLY 42 -3.909 5.212 -9.181
336 2HA GLY 42 HA2 GLY 42 -4.921 3.899 -8.488
337 H ASN 43 H ASN 43 -2.138 3.377 -8.689
338 HA ASN 43 HA ASN 43 -1.788 1.948 -11.238
339 1HB ASN 43 HB1 ASN 43 0.596 1.658 -10.691
340 2HB ASN 43 HB2 ASN 43 -0.013 3.327 -10.836
341 1HD2 ASN 43 HD21 ASN 43 1.644 4.090 -7.847
342 2HD2 ASN 43 HD22 ASN 43 1.468 4.406 -9.581
343 H ALA 44 H ALA 44 -0.219 0.557 -8.454
344 HA ALA 44 HA ALA 44 -1.836 -1.931 -8.760
345 1HB ALA 44 HB1 ALA 44 -0.071 -1.920 -10.548
346 2HB ALA 44 HB2 ALA 44 1.205 -1.776 -9.298
347 3HB ALA 44 HB3 ALA 44 0.165 -3.260 -9.402
348 H ASN 45 H ASN 45 -0.114 0.156 -6.621
349 HA ASN 45 HA ASN 45 0.519 -1.964 -4.692
350 1HB ASN 45 HB1 ASN 45 2.090 -0.031 -5.232
351 2HB ASN 45 HB2 ASN 45 0.965 1.104 -4.471
352 1HD2 ASN 45 HD21 ASN 45 3.171 0.463 -1.689
353 2HD2 ASN 45 HD22 ASN 45 2.661 1.581 -2.921
354 H ARG 46 H ARG 46 -2.000 -2.470 -4.229
355 HA ARG 46 HA ARG 46 -2.394 -1.010 -1.785
356 1HB ARG 46 HB1 ARG 46 -4.588 -0.245 -1.820
357 2HB ARG 46 HB2 ARG 46 -3.606 0.507 -3.070
358 1HG ARG 46 HG1 ARG 46 -5.411 -1.790 -3.932
359 2HG ARG 46 HG2 ARG 46 -6.125 -0.184 -3.592
360 1HD ARG 46 HD1 ARG 46 -3.861 -0.752 -5.537
361 2HD ARG 46 HD2 ARG 46 -5.591 -0.437 -6.037
362 HE ARG 46 HE ARG 46 -5.199 1.777 -4.563
363 1HH1 ARG 46 HH11 ARG 46 -2.921 0.601 -7.046
364 2HH1 ARG 46 HH12 ARG 46 -1.973 2.035 -6.913
365 1HH2 ARG 46 HH21 ARG 46 -4.134 3.739 -4.869
366 2HH2 ARG 46 HH22 ARG 46 -2.560 3.648 -5.589
367 H PHE 47 H PHE 47 -3.409 -1.753 -0.249
368 HA PHE 47 HA PHE 47 -3.958 -4.660 -0.212
369 1HB PHE 47 HB1 PHE 47 -3.050 -2.795 2.122
370 2HB PHE 47 HB2 PHE 47 -3.056 -4.602 2.120
371 HD1 PHE 47 HD1 PHE 47 -1.719 -5.261 -0.548
372 HD2 PHE 47 HD2 PHE 47 -0.798 -2.161 2.337
373 HE1 PHE 47 HE1 PHE 47 0.502 -4.965 -1.530
374 HE2 PHE 47 HE2 PHE 47 1.450 -2.011 1.389
375 HZ PHE 47 HZ PHE 47 2.098 -3.322 -0.592
376 H GLN 48 H GLN 48 -5.924 -5.385 0.429
377 HA GLN 48 HA GLN 48 -8.113 -3.597 0.692
378 1HB GLN 48 HB1 GLN 48 -7.979 -6.674 1.062
379 2HB GLN 48 HB2 GLN 48 -9.475 -5.694 0.972
380 1HG GLN 48 HG1 GLN 48 -9.157 -6.764 -1.171
381 2HG GLN 48 HG2 GLN 48 -8.996 -4.984 -1.325
382 1HE2 GLN 48 HE21 GLN 48 -5.453 -7.063 -1.636
383 2HE2 GLN 48 HE22 GLN 48 -6.702 -7.770 -0.628
384 H THR 49 H THR 49 -6.712 -5.987 3.021
385 HA THR 49 HA THR 49 -7.816 -4.473 5.296
386 HB THR 49 HB THR 49 -7.549 -6.668 6.597
387 HG1 THR 49 HG1 THR 49 -7.871 -8.494 5.176
388 1HG2 THR 49 HG21 THR 49 -9.755 -5.692 5.844
389 2HG2 THR 49 HG22 THR 49 -9.590 -6.576 4.285
390 3HG2 THR 49 HG23 THR 49 -9.766 -7.489 5.829
391 H ILE 50 H ILE 50 -6.230 -4.477 7.184
392 HA ILE 50 HA ILE 50 -3.839 -3.394 6.391
393 HB ILE 50 HB ILE 50 -5.131 -2.773 8.327
394 1HG1 ILE 50 HG11 ILE 50 -2.215 -3.451 9.043
395 2HG1 ILE 50 HG12 ILE 50 -2.807 -2.037 8.103
396 1HG2 ILE 50 HG21 ILE 50 -5.779 -5.107 9.116
397 2HG2 ILE 50 HG22 ILE 50 -4.093 -5.334 9.717
398 3HG2 ILE 50 HG23 ILE 50 -5.145 -4.064 10.418
399 1HD1 ILE 50 HD11 ILE 50 -4.186 -1.350 10.134
400 2HD1 ILE 50 HD12 ILE 50 -3.399 -2.680 11.071
401 3HD1 ILE 50 HD13 ILE 50 -2.410 -1.327 10.409
402 H GLY 51 H GLY 51 -4.316 -6.788 7.212
403 1HA GLY 51 HA1 GLY 51 -1.382 -7.149 7.351
404 2HA GLY 51 HA2 GLY 51 -2.600 -8.321 7.813
405 H GLU 52 H GLU 52 -3.198 -6.790 4.757
406 HA GLU 52 HA GLU 52 -2.046 -9.022 3.200
407 1HB GLU 52 HB1 GLU 52 -4.426 -8.248 2.837
408 2HB GLU 52 HB2 GLU 52 -3.820 -6.651 2.337
409 1HG GLU 52 HG1 GLU 52 -4.433 -7.991 0.343
410 2HG GLU 52 HG2 GLU 52 -2.651 -7.766 0.319
411 H CYS 53 H CYS 53 -1.084 -6.188 4.465
412 HA CYS 53 HA CYS 53 0.607 -4.946 2.545
413 1HB CYS 53 HB1 CYS 53 -0.793 -3.844 4.571
414 2HB CYS 53 HB2 CYS 53 0.296 -4.711 5.631
415 H ARG 54 H ARG 54 0.940 -7.019 5.226
416 HA ARG 54 HA ARG 54 3.687 -7.248 5.846
417 1HB ARG 54 HB1 ARG 54 1.041 -8.690 6.377
418 2HB ARG 54 HB2 ARG 54 2.559 -9.268 7.084
419 1HG ARG 54 HG1 ARG 54 3.059 -7.133 8.107
420 2HG ARG 54 HG2 ARG 54 1.653 -6.339 7.319
421 1HD ARG 54 HD1 ARG 54 1.350 -6.740 9.587
422 2HD ARG 54 HD2 ARG 54 0.057 -7.629 8.652
423 HE ARG 54 HE ARG 54 1.945 -9.657 8.905
424 1HH1 ARG 54 HH11 ARG 54 0.077 -7.821 11.255
425 2HH1 ARG 54 HH12 ARG 54 -0.056 -9.233 12.277
426 1HH2 ARG 54 HH21 ARG 54 1.748 -11.141 9.945
427 2HH2 ARG 54 HH22 ARG 54 0.990 -11.223 11.539
428 H LYS 55 H LYS 55 1.584 -9.590 4.023
429 HA LYS 55 HA LYS 55 3.489 -11.594 3.657
430 1HB LYS 55 HB1 LYS 55 1.027 -11.781 3.672
431 2HB LYS 55 HB2 LYS 55 0.897 -10.870 2.129
432 1HG LYS 55 HG1 LYS 55 2.107 -12.793 0.973
433 2HG LYS 55 HG2 LYS 55 2.205 -13.633 2.567
434 1HD LYS 55 HD1 LYS 55 -0.304 -13.564 2.715
435 2HD LYS 55 HD2 LYS 55 -0.378 -12.758 1.109
436 1HE LYS 55 HE1 LYS 55 0.656 -14.781 0.028
437 2HE LYS 55 HE2 LYS 55 0.733 -15.604 1.641
438 1HZ LYS 55 HZ1 LYS 55 -1.731 -14.649 0.275
439 2HZ LYS 55 HZ2 LYS 55 -1.191 -16.255 0.384
440 3HZ LYS 55 HZ3 LYS 55 -1.658 -15.418 1.786
441 H LYS 56 H LYS 56 2.720 -8.757 1.738
442 HA LYS 56 HA LYS 56 4.457 -9.372 -0.510
443 1HB LYS 56 HB1 LYS 56 2.318 -7.299 0.101
444 2HB LYS 56 HB2 LYS 56 3.549 -6.903 -1.122
445 1HG LYS 56 HG1 LYS 56 3.136 -8.938 -2.369
446 2HG LYS 56 HG2 LYS 56 1.815 -9.425 -1.355
447 1HD LYS 56 HD1 LYS 56 1.794 -6.677 -2.930
448 2HD LYS 56 HD2 LYS 56 1.330 -8.247 -3.618
449 1HE LYS 56 HE1 LYS 56 -0.057 -7.290 -1.039
450 2HE LYS 56 HE2 LYS 56 -0.652 -6.924 -2.711
451 1HZ LYS 56 HZ1 LYS 56 -0.749 -9.258 -3.158
452 2HZ LYS 56 HZ2 LYS 56 -0.184 -9.629 -1.600
453 3HZ LYS 56 HZ3 LYS 56 -1.682 -8.854 -1.796
454 H CYS 57 H CYS 57 4.539 -7.217 2.464
455 HA CYS 57 HA CYS 57 7.226 -6.304 1.474
456 1HB CYS 57 HB1 CYS 57 4.956 -4.790 2.797
457 2HB CYS 57 HB2 CYS 57 6.586 -4.066 2.684
458 H LEU 58 H LEU 58 6.123 -8.072 4.222
459 HA LEU 58 HA LEU 58 8.716 -7.205 5.451
460 1HB LEU 58 HB1 LEU 58 6.084 -7.417 6.870
461 2HB LEU 58 HB2 LEU 58 7.591 -7.844 7.767
462 HG LEU 58 HG LEU 58 7.189 -5.205 6.399
463 1HD1 LEU 58 HD11 LEU 58 5.549 -5.586 8.389
464 2HD1 LEU 58 HD12 LEU 58 6.978 -5.909 9.419
465 3HD1 LEU 58 HD13 LEU 58 6.757 -4.278 8.720
466 1HD2 LEU 58 HD21 LEU 58 9.288 -6.160 8.433
467 2HD2 LEU 58 HD22 LEU 58 9.594 -5.675 6.721
468 3HD2 LEU 58 HD23 LEU 58 9.049 -4.450 7.921
469 H GLY 59 H GLY 59 6.523 -9.729 4.551
470 1HA GLY 59 HA1 GLY 59 6.866 -11.897 4.183
471 2HA GLY 59 HA2 GLY 59 8.372 -11.868 5.176
472 H LYS 60 H LYS 60 4.872 -11.046 5.820
473 HA LYS 60 HA LYS 60 4.701 -13.058 7.887
474 1HB LYS 60 HB1 LYS 60 4.411 -11.298 9.746
475 2HB LYS 60 HB2 LYS 60 6.096 -11.402 9.140
476 1HG LYS 60 HG1 LYS 60 5.692 -9.438 7.617
477 2HG LYS 60 HG2 LYS 60 4.064 -9.251 8.282
478 1HD LYS 60 HD1 LYS 60 6.628 -9.000 9.913
479 2HD LYS 60 HD2 LYS 60 5.659 -7.717 9.067
480 1HE LYS 60 HE1 LYS 60 3.780 -7.923 10.378
481 2HE LYS 60 HE2 LYS 60 4.394 -9.371 11.307
482 1HZ LYS 60 HZ1 LYS 60 5.570 -6.630 11.256
483 2HZ LYS 60 HZ2 LYS 60 4.659 -7.314 12.517
484 3HZ LYS 60 HZ3 LYS 60 6.180 -7.958 12.120
No H/Q in entry = 484
Start of MODEL 12
1 H TRP 1 H TRP 1 13.438 -12.579 3.915
2 HA TRP 1 HA TRP 1 11.776 -12.049 1.720
3 1HB TRP 1 HB1 TRP 1 10.005 -11.522 3.442
4 2HB TRP 1 HB2 TRP 1 11.179 -10.573 4.366
5 HD1 TRP 1 HD1 TRP 1 8.951 -10.283 1.072
6 HE1 TRP 1 HE1 TRP 1 8.745 -7.886 0.512
7 HE3 TRP 1 HE3 TRP 1 12.188 -8.417 4.598
8 HZ2 TRP 1 HZ2 TRP 1 9.824 -5.426 1.371
9 HZ3 TRP 1 HZ3 TRP 1 12.473 -5.963 4.739
10 HH2 TRP 1 HH2 TRP 1 11.245 -4.457 3.193
11 H GLN 2 H GLN 2 12.505 -10.253 0.548
12 HA GLN 2 HA GLN 2 14.411 -8.358 1.546
13 1HB GLN 2 HB1 GLN 2 14.967 -10.155 -0.921
14 2HB GLN 2 HB2 GLN 2 15.787 -8.587 -0.625
15 1HG GLN 2 HG1 GLN 2 16.036 -11.094 1.175
16 2HG GLN 2 HG2 GLN 2 17.236 -10.484 -0.016
17 1HE2 GLN 2 HE21 GLN 2 16.971 -8.627 3.625
18 2HE2 GLN 2 HE22 GLN 2 15.647 -9.680 3.137
19 HA PRO 3 HA PRO 3 11.048 -6.558 -0.373
20 1HB PRO 3 HB1 PRO 3 12.201 -4.000 -1.308
21 2HB PRO 3 HB2 PRO 3 11.199 -4.425 0.132
22 1HG PRO 3 HG1 PRO 3 14.068 -3.833 0.068
23 2HG PRO 3 HG2 PRO 3 13.129 -4.496 1.455
24 1HD PRO 3 HD1 PRO 3 14.928 -6.019 -0.422
25 2HD PRO 3 HD2 PRO 3 14.417 -6.345 1.277
26 HA PRO 4 HA PRO 4 11.097 -7.392 -4.881
27 1HB PRO 4 HB1 PRO 4 8.067 -7.719 -4.350
28 2HB PRO 4 HB2 PRO 4 9.217 -8.832 -5.194
29 1HG PRO 4 HG1 PRO 4 8.352 -9.344 -2.630
30 2HG PRO 4 HG2 PRO 4 10.082 -9.494 -3.063
31 1HD PRO 4 HD1 PRO 4 8.864 -6.976 -1.754
32 2HD PRO 4 HD2 PRO 4 10.136 -8.076 -1.189
33 H TRP 5 H TRP 5 7.904 -6.416 -5.538
34 HA TRP 5 HA TRP 5 8.674 -3.836 -6.582
35 1HB TRP 5 HB1 TRP 5 6.187 -3.872 -7.499
36 2HB TRP 5 HB2 TRP 5 7.385 -4.796 -8.244
37 HD1 TRP 5 HD1 TRP 5 7.335 -7.580 -7.972
38 HE1 TRP 5 HE1 TRP 5 5.076 -8.973 -7.896
39 HE3 TRP 5 HE3 TRP 5 3.997 -4.298 -6.275
40 HZ2 TRP 5 HZ2 TRP 5 2.323 -8.441 -8.236
41 HZ3 TRP 5 HZ3 TRP 5 1.621 -4.505 -6.658
42 HH2 TRP 5 HH2 TRP 5 0.739 -6.622 -7.627
43 H TYR 6 H TYR 6 5.823 -4.985 -4.851
44 HA TYR 6 HA TYR 6 4.280 -3.031 -4.274
45 1HB TYR 6 HB1 TYR 6 4.694 -4.787 -1.803
46 2HB TYR 6 HB2 TYR 6 3.248 -4.546 -2.834
47 HD1 TYR 6 HD1 TYR 6 3.022 -6.022 -4.833
48 HD2 TYR 6 HD2 TYR 6 6.169 -6.488 -2.003
49 HE1 TYR 6 HE1 TYR 6 3.417 -8.349 -5.665
50 HE2 TYR 6 HE2 TYR 6 6.398 -8.906 -2.751
51 HH TYR 6 HH TYR 6 5.722 -10.491 -4.142
52 H CYS 7 H CYS 7 6.918 -3.656 -2.081
53 HA CYS 7 HA CYS 7 6.384 -1.899 -0.134
54 1HB CYS 7 HB1 CYS 7 9.252 -2.768 -0.820
55 2HB CYS 7 HB2 CYS 7 8.467 -2.521 0.787
56 H LYS 8 H LYS 8 8.382 -1.288 -2.995
57 HA LYS 8 HA LYS 8 8.864 1.528 -2.271
58 1HB LYS 8 HB1 LYS 8 10.010 -0.310 -4.495
59 2HB LYS 8 HB2 LYS 8 10.510 1.401 -4.215
60 1HG LYS 8 HG1 LYS 8 11.607 0.849 -2.169
61 2HG LYS 8 HG2 LYS 8 10.901 -0.802 -2.138
62 1HD LYS 8 HD1 LYS 8 13.149 -1.058 -2.919
63 2HD LYS 8 HD2 LYS 8 12.044 -1.330 -4.316
64 1HE LYS 8 HE1 LYS 8 14.071 -0.005 -4.981
65 2HE LYS 8 HE2 LYS 8 12.599 1.026 -5.151
66 1HZ LYS 8 HZ1 LYS 8 14.509 1.044 -2.870
67 2HZ LYS 8 HZ2 LYS 8 14.399 2.192 -4.118
68 3HZ LYS 8 HZ3 LYS 8 13.120 2.010 -3.015
69 H GLU 9 H GLU 9 6.192 0.073 -3.498
70 HA GLU 9 HA GLU 9 6.270 0.944 -6.231
71 1HB GLU 9 HB1 GLU 9 5.537 -1.185 -5.640
72 2HB GLU 9 HB2 GLU 9 4.133 -0.510 -4.819
73 1HG GLU 9 HG1 GLU 9 3.636 -1.268 -7.118
74 2HG GLU 9 HG2 GLU 9 3.409 0.511 -7.138
75 HA PRO 10 HA PRO 10 4.742 4.884 -5.026
76 1HB PRO 10 HB1 PRO 10 3.944 5.313 -7.956
77 2HB PRO 10 HB2 PRO 10 4.902 6.389 -6.857
78 1HG PRO 10 HG1 PRO 10 6.157 4.825 -8.659
79 2HG PRO 10 HG2 PRO 10 6.808 4.845 -6.966
80 1HD PRO 10 HD1 PRO 10 4.821 2.826 -8.174
81 2HD PRO 10 HD2 PRO 10 6.388 2.447 -7.369
82 H VAL 11 H VAL 11 2.933 5.409 -3.848
83 HA VAL 11 HA VAL 11 0.409 4.258 -4.280
84 HB VAL 11 HB VAL 11 1.494 4.701 -2.116
85 1HG1 VAL 11 HG11 VAL 11 2.359 7.040 -2.567
86 2HG1 VAL 11 HG12 VAL 11 0.674 7.663 -2.504
87 3HG1 VAL 11 HG13 VAL 11 1.400 6.897 -1.055
88 1HG2 VAL 11 HG21 VAL 11 -0.886 4.118 -2.264
89 2HG2 VAL 11 HG22 VAL 11 -0.584 5.285 -0.936
90 3HG2 VAL 11 HG23 VAL 11 -1.355 5.857 -2.449
91 H ARG 12 H ARG 12 -1.524 5.011 -5.124
92 HA ARG 12 HA ARG 12 -1.583 7.676 -6.443
93 1HB ARG 12 HB1 ARG 12 -2.369 4.998 -7.610
94 2HB ARG 12 HB2 ARG 12 -2.875 6.594 -8.248
95 1HG ARG 12 HG1 ARG 12 -0.214 7.101 -8.262
96 2HG ARG 12 HG2 ARG 12 -0.261 5.304 -8.145
97 1HD ARG 12 HD1 ARG 12 -1.857 5.339 -10.167
98 2HD ARG 12 HD2 ARG 12 -1.967 7.147 -10.012
99 HE ARG 12 HE ARG 12 0.648 6.991 -10.747
100 1HH1 ARG 12 HH11 ARG 12 -2.072 5.243 -12.020
101 2HH1 ARG 12 HH12 ARG 12 -1.719 5.711 -13.676
102 1HH2 ARG 12 HH21 ARG 12 1.279 7.269 -12.807
103 2HH2 ARG 12 HH22 ARG 12 0.292 6.746 -14.122
104 H ILE 13 H ILE 13 -3.537 8.711 -5.590
105 HA ILE 13 HA ILE 13 -5.738 6.996 -4.670
106 HB ILE 13 HB ILE 13 -4.915 8.531 -3.100
107 1HG1 ILE 13 HG11 ILE 13 -7.838 8.879 -4.034
108 2HG1 ILE 13 HG12 ILE 13 -7.068 7.520 -3.139
109 1HG2 ILE 13 HG21 ILE 13 -4.435 10.653 -4.402
110 2HG2 ILE 13 HG22 ILE 13 -6.235 10.768 -4.705
111 3HG2 ILE 13 HG23 ILE 13 -5.545 10.827 -3.038
112 1HD1 ILE 13 HD11 ILE 13 -6.677 9.014 -1.194
113 2HD1 ILE 13 HD12 ILE 13 -7.493 10.385 -2.053
114 3HD1 ILE 13 HD13 ILE 13 -8.438 8.910 -1.605
115 H GLY 14 H GLY 14 -5.020 9.483 -7.026
116 1HA GLY 14 HA1 GLY 14 -5.921 9.263 -9.233
117 2HA GLY 14 HA2 GLY 14 -7.484 8.774 -8.529
118 H SER 15 H SER 15 -8.808 10.520 -9.529
119 HA SER 15 HA SER 15 -8.548 13.097 -8.276
120 1HB SER 15 HB1 SER 15 -8.075 12.904 -11.330
121 2HB SER 15 HB2 SER 15 -8.472 14.428 -10.454
122 HG SER 15 HG SER 15 -6.375 12.979 -9.369
123 H CYS 16 H CYS 16 -10.406 11.057 -8.055
124 HA CYS 16 HA CYS 16 -12.756 11.947 -9.597
125 1HB CYS 16 HB1 CYS 16 -11.784 9.358 -8.572
126 2HB CYS 16 HB2 CYS 16 -13.436 9.479 -8.156
127 H LYS 17 H LYS 17 -14.687 11.241 -8.162
128 HA LYS 17 HA LYS 17 -14.626 12.952 -5.715
129 1HB LYS 17 HB1 LYS 17 -17.063 12.374 -7.494
130 2HB LYS 17 HB2 LYS 17 -16.970 13.525 -6.128
131 1HG LYS 17 HG1 LYS 17 -15.615 13.744 -8.881
132 2HG LYS 17 HG2 LYS 17 -16.986 14.694 -8.237
133 1HD LYS 17 HD1 LYS 17 -14.044 14.834 -7.325
134 2HD LYS 17 HD2 LYS 17 -14.961 16.053 -8.260
135 1HE LYS 17 HE1 LYS 17 -15.508 15.280 -5.308
136 2HE LYS 17 HE2 LYS 17 -14.653 16.756 -5.899
137 1HZ LYS 17 HZ1 LYS 17 -16.655 17.403 -7.044
138 2HZ LYS 17 HZ2 LYS 17 -17.464 16.013 -6.500
139 3HZ LYS 17 HZ3 LYS 17 -16.940 17.181 -5.384
140 H LYS 18 H LYS 18 -13.808 10.163 -5.496
141 HA LYS 18 HA LYS 18 -15.806 9.254 -3.614
142 1HB LYS 18 HB1 LYS 18 -16.301 8.150 -5.891
143 2HB LYS 18 HB2 LYS 18 -14.632 7.553 -5.951
144 1HG LYS 18 HG1 LYS 18 -16.124 5.762 -5.292
145 2HG LYS 18 HG2 LYS 18 -15.032 6.154 -3.945
146 1HD LYS 18 HD1 LYS 18 -17.346 5.683 -3.156
147 2HD LYS 18 HD2 LYS 18 -16.872 7.359 -2.737
148 1HE LYS 18 HE1 LYS 18 -18.272 8.266 -4.597
149 2HE LYS 18 HE2 LYS 18 -18.724 6.585 -5.100
150 1HZ LYS 18 HZ1 LYS 18 -19.270 7.831 -2.464
151 2HZ LYS 18 HZ2 LYS 18 -20.378 7.590 -3.728
152 3HZ LYS 18 HZ3 LYS 18 -19.689 6.255 -2.936
153 H GLN 19 H GLN 19 -14.646 7.804 -2.033
154 HA GLN 19 HA GLN 19 -11.892 7.291 -2.418
155 1HB GLN 19 HB1 GLN 19 -12.574 8.466 0.342
156 2HB GLN 19 HB2 GLN 19 -11.044 8.261 -0.597
157 1HG GLN 19 HG1 GLN 19 -11.349 10.554 -0.232
158 2HG GLN 19 HG2 GLN 19 -11.611 10.255 -1.990
159 1HE2 GLN 19 HE21 GLN 19 -14.675 12.066 -1.621
160 2HE2 GLN 19 HE22 GLN 19 -13.181 11.853 -2.509
161 H PHE 20 H PHE 20 -11.891 5.023 -2.010
162 HA PHE 20 HA PHE 20 -13.764 3.935 0.015
163 1HB PHE 20 HB1 PHE 20 -12.056 2.348 -2.011
164 2HB PHE 20 HB2 PHE 20 -13.314 1.766 -0.932
165 HD1 PHE 20 HD1 PHE 20 -15.755 2.257 -1.345
166 HD2 PHE 20 HD2 PHE 20 -12.731 3.446 -4.242
167 HE1 PHE 20 HE1 PHE 20 -17.449 2.418 -3.109
168 HE2 PHE 20 HE2 PHE 20 -14.438 3.558 -5.947
169 HZ PHE 20 HZ PHE 20 -16.802 3.040 -5.419
170 H SER 21 H SER 21 -12.660 2.789 1.893
171 HA SER 21 HA SER 21 -10.061 3.805 2.488
172 1HB SER 21 HB1 SER 21 -11.933 3.387 4.179
173 2HB SER 21 HB2 SER 21 -11.468 1.657 4.161
174 HG SER 21 HG SER 21 -10.259 2.570 5.752
175 H SER 22 H SER 22 -8.028 2.849 2.781
176 HA SER 22 HA SER 22 -7.594 0.072 1.923
177 1HB SER 22 HB1 SER 22 -5.906 0.868 0.127
178 2HB SER 22 HB2 SER 22 -7.477 1.553 -0.182
179 HG SER 22 HG SER 22 -5.691 2.943 1.474
180 H PHE 23 H PHE 23 -5.051 0.029 1.610
181 HA PHE 23 HA PHE 23 -3.416 1.150 3.738
182 1HB PHE 23 HB1 PHE 23 -4.044 -1.778 3.365
183 2HB PHE 23 HB2 PHE 23 -2.494 -1.456 4.112
184 HD1 PHE 23 HD1 PHE 23 -2.580 0.045 6.289
185 HD2 PHE 23 HD2 PHE 23 -6.080 -1.771 4.581
186 HE1 PHE 23 HE1 PHE 23 -3.784 0.434 8.385
187 HE2 PHE 23 HE2 PHE 23 -7.305 -1.392 6.714
188 HZ PHE 23 HZ PHE 23 -6.169 -0.283 8.609
189 H TYR 24 H TYR 24 -1.233 1.131 3.301
190 HA TYR 24 HA TYR 24 -0.128 -0.097 0.920
191 1HB TYR 24 HB1 TYR 24 0.759 1.695 -0.271
192 2HB TYR 24 HB2 TYR 24 -0.893 2.212 0.110
193 HD1 TYR 24 HD1 TYR 24 -1.246 4.042 1.845
194 HD2 TYR 24 HD2 TYR 24 2.706 2.876 0.612
195 HE1 TYR 24 HE1 TYR 24 -0.397 6.185 2.645
196 HE2 TYR 24 HE2 TYR 24 3.607 5.017 1.680
197 HH TYR 24 HH TYR 24 1.453 7.504 2.924
198 H PHE 25 H PHE 25 2.323 -0.263 1.000
199 HA PHE 25 HA PHE 25 3.301 -0.257 3.760
200 1HB PHE 25 HB1 PHE 25 3.641 -2.434 2.093
201 2HB PHE 25 HB2 PHE 25 4.882 -1.426 1.352
202 HD1 PHE 25 HD1 PHE 25 3.611 -3.200 4.375
203 HD2 PHE 25 HD2 PHE 25 6.951 -1.045 2.644
204 HE1 PHE 25 HE1 PHE 25 4.911 -3.866 6.274
205 HE2 PHE 25 HE2 PHE 25 8.354 -2.029 4.434
206 HZ PHE 25 HZ PHE 25 7.387 -3.244 6.305
207 H LYS 26 H LYS 26 4.581 1.546 4.449
208 HA LYS 26 HA LYS 26 5.487 3.371 2.413
209 1HB LYS 26 HB1 LYS 26 4.122 4.145 3.988
210 2HB LYS 26 HB2 LYS 26 5.083 3.409 5.340
211 1HG LYS 26 HG1 LYS 26 5.087 5.536 5.261
212 2HG LYS 26 HG2 LYS 26 6.834 5.123 4.953
213 1HD LYS 26 HD1 LYS 26 4.703 6.552 3.196
214 2HD LYS 26 HD2 LYS 26 6.310 7.128 3.836
215 1HE LYS 26 HE1 LYS 26 7.244 5.176 2.441
216 2HE LYS 26 HE2 LYS 26 5.736 5.269 1.470
217 1HZ LYS 26 HZ1 LYS 26 7.606 7.535 1.933
218 2HZ LYS 26 HZ2 LYS 26 7.418 6.653 0.494
219 3HZ LYS 26 HZ3 LYS 26 6.142 7.610 1.076
220 H TRP 27 H TRP 27 7.386 2.557 1.575
221 HA TRP 27 HA TRP 27 9.262 0.861 2.477
222 1HB TRP 27 HB1 TRP 27 9.293 1.144 0.281
223 2HB TRP 27 HB2 TRP 27 8.955 2.883 0.328
224 HD1 TRP 27 HD1 TRP 27 11.154 4.256 -0.542
225 HE1 TRP 27 HE1 TRP 27 13.586 3.533 -1.098
226 HE3 TRP 27 HE3 TRP 27 10.952 -0.425 1.221
227 HZ2 TRP 27 HZ2 TRP 27 15.279 1.296 -0.601
228 HZ3 TRP 27 HZ3 TRP 27 12.980 -1.887 1.183
229 HH2 TRP 27 HH2 TRP 27 15.125 -1.037 0.260
230 H THR 28 H THR 28 9.636 4.433 2.899
231 HA THR 28 HA THR 28 12.195 4.131 4.136
232 HB THR 28 HB THR 28 11.884 6.709 4.517
233 HG1 THR 28 HG1 THR 28 10.438 7.472 2.867
234 1HG2 THR 28 HG21 THR 28 11.977 5.386 1.724
235 2HG2 THR 28 HG22 THR 28 12.532 7.056 2.119
236 3HG2 THR 28 HG23 THR 28 13.376 5.638 2.825
237 H ALA 29 H ALA 29 8.916 4.008 5.313
238 HA ALA 29 HA ALA 29 9.700 4.545 8.103
239 1HB ALA 29 HB1 ALA 29 7.445 5.283 7.301
240 2HB ALA 29 HB2 ALA 29 7.006 3.590 6.899
241 3HB ALA 29 HB3 ALA 29 7.286 4.079 8.617
242 H LYS 30 H LYS 30 8.807 1.862 5.973
243 HA LYS 30 HA LYS 30 9.162 -0.251 5.905
244 1HB LYS 30 HB1 LYS 30 11.462 0.380 6.980
245 2HB LYS 30 HB2 LYS 30 10.845 -0.508 8.397
246 1HG LYS 30 HG1 LYS 30 12.113 -2.077 7.042
247 2HG LYS 30 HG2 LYS 30 10.402 -2.486 6.728
248 1HD LYS 30 HD1 LYS 30 10.813 -2.214 4.473
249 2HD LYS 30 HD2 LYS 30 11.112 -0.472 4.789
250 1HE LYS 30 HE1 LYS 30 13.002 -1.226 3.583
251 2HE LYS 30 HE2 LYS 30 13.569 -1.117 5.294
252 1HZ LYS 30 HZ1 LYS 30 12.646 -3.573 3.881
253 2HZ LYS 30 HZ2 LYS 30 14.256 -3.145 4.216
254 3HZ LYS 30 HZ3 LYS 30 13.186 -3.492 5.489
255 H LYS 31 H LYS 31 6.855 0.851 7.157
256 HA LYS 31 HA LYS 31 5.707 -1.547 8.219
257 1HB LYS 31 HB1 LYS 31 6.534 -0.377 10.250
258 2HB LYS 31 HB2 LYS 31 5.718 1.128 9.759
259 1HG LYS 31 HG1 LYS 31 4.606 -0.015 11.613
260 2HG LYS 31 HG2 LYS 31 3.530 0.146 10.201
261 1HD LYS 31 HD1 LYS 31 3.976 -2.341 9.676
262 2HD LYS 31 HD2 LYS 31 5.042 -2.423 11.114
263 1HE LYS 31 HE1 LYS 31 3.091 -1.997 12.618
264 2HE LYS 31 HE2 LYS 31 2.018 -1.715 11.191
265 1HZ LYS 31 HZ1 LYS 31 2.382 -3.995 10.521
266 2HZ LYS 31 HZ2 LYS 31 3.387 -4.271 11.862
267 3HZ LYS 31 HZ3 LYS 31 1.744 -3.906 12.093
268 H CYS 32 H CYS 32 3.292 -1.196 8.298
269 HA CYS 32 HA CYS 32 2.304 -0.123 5.841
270 1HB CYS 32 HB1 CYS 32 1.023 -1.644 8.213
271 2HB CYS 32 HB2 CYS 32 0.082 -1.228 6.729
272 H LEU 33 H LEU 33 0.953 1.531 5.414
273 HA LEU 33 HA LEU 33 -0.020 3.224 7.637
274 1HB LEU 33 HB1 LEU 33 0.771 4.193 4.803
275 2HB LEU 33 HB2 LEU 33 0.141 5.185 6.159
276 HG LEU 33 HG LEU 33 2.919 4.028 5.735
277 1HD1 LEU 33 HD11 LEU 33 1.711 6.801 6.415
278 2HD1 LEU 33 HD12 LEU 33 3.462 6.480 6.202
279 3HD1 LEU 33 HD13 LEU 33 2.329 6.242 4.823
280 1HD2 LEU 33 HD21 LEU 33 1.840 5.215 8.395
281 2HD2 LEU 33 HD22 LEU 33 2.414 3.528 8.193
282 3HD2 LEU 33 HD23 LEU 33 3.563 4.890 8.013
283 HA PRO 34 HA PRO 34 -3.883 2.677 5.073
284 1HB PRO 34 HB1 PRO 34 -5.629 4.242 6.483
285 2HB PRO 34 HB2 PRO 34 -4.884 2.799 7.252
286 1HG PRO 34 HG1 PRO 34 -3.996 5.720 7.582
287 2HG PRO 34 HG2 PRO 34 -4.280 4.500 8.883
288 1HD PRO 34 HD1 PRO 34 -1.775 5.113 7.616
289 2HD PRO 34 HD2 PRO 34 -2.128 3.555 8.513
290 H PHE 35 H PHE 35 -5.101 3.771 3.670
291 HA PHE 35 HA PHE 35 -4.937 6.596 3.319
292 1HB PHE 35 HB1 PHE 35 -4.075 7.013 1.198
293 2HB PHE 35 HB2 PHE 35 -2.848 6.018 2.007
294 HD1 PHE 35 HD1 PHE 35 -3.365 3.279 1.454
295 HD2 PHE 35 HD2 PHE 35 -4.362 6.624 -1.145
296 HE1 PHE 35 HE1 PHE 35 -3.316 1.802 -0.525
297 HE2 PHE 35 HE2 PHE 35 -4.258 5.111 -3.057
298 HZ PHE 35 HZ PHE 35 -3.779 2.697 -2.755
299 H LEU 36 H LEU 36 -6.247 6.499 0.629
300 HA LEU 36 HA LEU 36 -8.490 4.764 0.942
301 1HB LEU 36 HB1 LEU 36 -8.762 7.820 0.336
302 2HB LEU 36 HB2 LEU 36 -10.100 6.639 0.539
303 HG LEU 36 HG LEU 36 -8.240 7.664 2.765
304 1HD1 LEU 36 HD11 LEU 36 -9.481 9.529 1.669
305 2HD1 LEU 36 HD12 LEU 36 -11.043 8.684 2.001
306 3HD1 LEU 36 HD13 LEU 36 -10.012 9.243 3.362
307 1HD2 LEU 36 HD21 LEU 36 -10.964 6.230 2.852
308 2HD2 LEU 36 HD22 LEU 36 -9.370 5.556 3.400
309 3HD2 LEU 36 HD23 LEU 36 -10.112 6.938 4.271
310 H PHE 37 H PHE 37 -9.314 4.512 -1.203
311 HA PHE 37 HA PHE 37 -7.617 5.506 -3.489
312 1HB PHE 37 HB1 PHE 37 -7.026 3.161 -3.244
313 2HB PHE 37 HB2 PHE 37 -8.788 2.747 -2.940
314 HD1 PHE 37 HD1 PHE 37 -7.874 4.831 -6.186
315 HD2 PHE 37 HD2 PHE 37 -8.525 0.920 -4.381
316 HE1 PHE 37 HE1 PHE 37 -8.596 3.979 -8.273
317 HE2 PHE 37 HE2 PHE 37 -9.071 0.045 -6.628
318 HZ PHE 37 HZ PHE 37 -9.118 1.590 -8.576
319 H SER 38 H SER 38 -8.792 6.653 -5.056
320 HA SER 38 HA SER 38 -11.623 7.021 -4.590
321 1HB SER 38 HB1 SER 38 -11.635 8.750 -6.265
322 2HB SER 38 HB2 SER 38 -10.269 8.985 -5.150
323 HG SER 38 HG SER 38 -8.866 8.199 -6.766
324 H GLY 39 H GLY 39 -10.229 6.570 -7.777
325 1HA GLY 39 HA1 GLY 39 -11.190 3.931 -8.250
326 2HA GLY 39 HA2 GLY 39 -12.410 5.074 -8.785
327 H CYS 40 H CYS 40 -11.448 7.099 -9.935
328 HA CYS 40 HA CYS 40 -10.124 6.129 -12.295
329 1HB CYS 40 HB1 CYS 40 -10.769 8.095 -13.423
330 2HB CYS 40 HB2 CYS 40 -12.161 7.408 -12.563
331 H GLY 41 H GLY 41 -8.143 5.654 -11.382
332 1HA GLY 41 HA1 GLY 41 -6.049 6.872 -12.260
333 2HA GLY 41 HA2 GLY 41 -6.303 7.929 -10.852
334 H GLY 42 H GLY 42 -6.925 4.476 -10.312
335 1HA GLY 42 HA1 GLY 42 -4.811 4.283 -8.470
336 2HA GLY 42 HA2 GLY 42 -5.885 2.985 -9.075
337 H ASN 43 H ASN 43 -3.641 2.126 -8.279
338 HA ASN 43 HA ASN 43 -1.961 1.590 -10.669
339 1HB ASN 43 HB1 ASN 43 -1.100 3.489 -9.257
340 2HB ASN 43 HB2 ASN 43 -0.865 2.395 -7.852
341 1HD2 ASN 43 HD21 ASN 43 2.308 3.055 -9.598
342 2HD2 ASN 43 HD22 ASN 43 1.461 3.325 -8.091
343 H ALA 44 H ALA 44 -0.091 0.041 -9.155
344 HA ALA 44 HA ALA 44 -1.685 -2.397 -8.749
345 1HB ALA 44 HB1 ALA 44 0.093 -2.212 -10.498
346 2HB ALA 44 HB2 ALA 44 1.337 -2.035 -9.224
347 3HB ALA 44 HB3 ALA 44 0.372 -3.572 -9.380
348 H ASN 45 H ASN 45 -0.009 -0.104 -6.703
349 HA ASN 45 HA ASN 45 0.561 -2.140 -4.624
350 1HB ASN 45 HB1 ASN 45 2.201 -0.251 -5.122
351 2HB ASN 45 HB2 ASN 45 1.081 0.924 -4.434
352 1HD2 ASN 45 HD21 ASN 45 3.042 0.327 -1.471
353 2HD2 ASN 45 HD22 ASN 45 2.731 1.390 -2.802
354 H ARG 46 H ARG 46 -1.989 -2.514 -4.447
355 HA ARG 46 HA ARG 46 -2.783 -0.842 -2.167
356 1HB ARG 46 HB1 ARG 46 -5.092 -0.494 -2.710
357 2HB ARG 46 HB2 ARG 46 -3.976 0.374 -3.754
358 1HG ARG 46 HG1 ARG 46 -4.913 -2.272 -4.844
359 2HG ARG 46 HG2 ARG 46 -6.118 -0.955 -4.678
360 1HD ARG 46 HD1 ARG 46 -3.415 -0.560 -6.175
361 2HD ARG 46 HD2 ARG 46 -4.949 -1.041 -6.981
362 HE ARG 46 HE ARG 46 -6.026 1.027 -6.016
363 1HH1 ARG 46 HH11 ARG 46 -2.461 1.523 -5.737
364 2HH1 ARG 46 HH12 ARG 46 -2.698 3.176 -6.203
365 1HH2 ARG 46 HH21 ARG 46 -6.075 3.049 -6.193
366 2HH2 ARG 46 HH22 ARG 46 -4.627 4.021 -6.084
367 H PHE 47 H PHE 47 -3.341 -1.807 -0.527
368 HA PHE 47 HA PHE 47 -3.704 -4.730 -0.555
369 1HB PHE 47 HB1 PHE 47 -2.748 -2.727 1.582
370 2HB PHE 47 HB2 PHE 47 -2.729 -4.475 1.883
371 HD1 PHE 47 HD1 PHE 47 -1.510 -5.395 -0.931
372 HD2 PHE 47 HD2 PHE 47 -0.483 -2.166 1.758
373 HE1 PHE 47 HE1 PHE 47 0.751 -5.274 -1.863
374 HE2 PHE 47 HE2 PHE 47 1.812 -2.223 0.872
375 HZ PHE 47 HZ PHE 47 2.425 -3.710 -0.929
376 H GLN 48 H GLN 48 -5.311 -5.658 0.523
377 HA GLN 48 HA GLN 48 -7.797 -4.375 0.788
378 1HB GLN 48 HB1 GLN 48 -6.796 -7.183 1.667
379 2HB GLN 48 HB2 GLN 48 -8.527 -6.719 1.577
380 1HG GLN 48 HG1 GLN 48 -8.476 -6.530 -0.847
381 2HG GLN 48 HG2 GLN 48 -6.710 -6.740 -0.971
382 1HE2 GLN 48 HE21 GLN 48 -7.145 -10.382 -0.329
383 2HE2 GLN 48 HE22 GLN 48 -6.043 -9.126 0.206
384 H THR 49 H THR 49 -6.060 -6.120 3.459
385 HA THR 49 HA THR 49 -7.074 -4.113 5.381
386 HB THR 49 HB THR 49 -7.095 -5.885 7.128
387 HG1 THR 49 HG1 THR 49 -7.210 -8.012 6.376
388 1HG2 THR 49 HG21 THR 49 -9.161 -5.191 5.873
389 2HG2 THR 49 HG22 THR 49 -8.883 -6.520 4.694
390 3HG2 THR 49 HG23 THR 49 -9.215 -6.904 6.417
391 H ILE 50 H ILE 50 -5.676 -4.123 7.409
392 HA ILE 50 HA ILE 50 -3.097 -3.330 6.882
393 HB ILE 50 HB ILE 50 -4.592 -2.569 8.630
394 1HG1 ILE 50 HG11 ILE 50 -1.932 -3.460 9.858
395 2HG1 ILE 50 HG12 ILE 50 -2.124 -2.127 8.672
396 1HG2 ILE 50 HG21 ILE 50 -5.513 -4.826 9.364
397 2HG2 ILE 50 HG22 ILE 50 -3.953 -5.130 10.208
398 3HG2 ILE 50 HG23 ILE 50 -4.997 -3.766 10.713
399 1HD1 ILE 50 HD11 ILE 50 -3.752 -0.985 10.232
400 2HD1 ILE 50 HD12 ILE 50 -3.420 -2.260 11.475
401 3HD1 ILE 50 HD13 ILE 50 -2.101 -1.160 10.927
402 H GLY 51 H GLY 51 -4.148 -6.609 7.644
403 1HA GLY 51 HA1 GLY 51 -1.435 -7.516 8.222
404 2HA GLY 51 HA2 GLY 51 -2.925 -8.470 8.179
405 H GLU 52 H GLU 52 -3.321 -7.193 5.218
406 HA GLU 52 HA GLU 52 -1.775 -9.279 3.875
407 1HB GLU 52 HB1 GLU 52 -4.172 -8.768 3.314
408 2HB GLU 52 HB2 GLU 52 -3.663 -7.157 2.744
409 1HG GLU 52 HG1 GLU 52 -3.962 -8.511 0.798
410 2HG GLU 52 HG2 GLU 52 -2.203 -8.307 0.938
411 H CYS 53 H CYS 53 -1.566 -5.860 4.497
412 HA CYS 53 HA CYS 53 0.203 -4.988 2.511
413 1HB CYS 53 HB1 CYS 53 -1.151 -3.424 3.687
414 2HB CYS 53 HB2 CYS 53 -0.656 -3.954 5.294
415 H ARG 54 H ARG 54 1.018 -6.266 5.695
416 HA ARG 54 HA ARG 54 3.920 -6.056 5.421
417 1HB ARG 54 HB1 ARG 54 3.990 -6.745 7.615
418 2HB ARG 54 HB2 ARG 54 2.689 -5.558 7.400
419 1HG ARG 54 HG1 ARG 54 1.164 -7.811 7.087
420 2HG ARG 54 HG2 ARG 54 2.524 -8.510 7.998
421 1HD ARG 54 HD1 ARG 54 2.211 -6.611 9.724
422 2HD ARG 54 HD2 ARG 54 0.731 -6.112 8.797
423 HE ARG 54 HE ARG 54 0.118 -8.788 9.241
424 1HH1 ARG 54 HH11 ARG 54 1.378 -6.564 11.721
425 2HH1 ARG 54 HH12 ARG 54 1.182 -7.780 12.932
426 1HH2 ARG 54 HH21 ARG 54 0.143 -10.236 10.776
427 2HH2 ARG 54 HH22 ARG 54 0.405 -9.780 12.428
428 H LYS 55 H LYS 55 1.510 -8.472 4.557
429 HA LYS 55 HA LYS 55 3.205 -10.781 4.598
430 1HB LYS 55 HB1 LYS 55 0.789 -10.643 5.010
431 2HB LYS 55 HB2 LYS 55 0.460 -10.216 3.305
432 1HG LYS 55 HG1 LYS 55 1.281 -12.460 2.591
433 2HG LYS 55 HG2 LYS 55 1.789 -12.826 4.277
434 1HD LYS 55 HD1 LYS 55 -1.122 -12.341 3.375
435 2HD LYS 55 HD2 LYS 55 -0.350 -13.941 3.646
436 1HE LYS 55 HE1 LYS 55 0.019 -13.396 6.070
437 2HE LYS 55 HE2 LYS 55 -0.836 -11.815 5.848
438 1HZ LYS 55 HZ1 LYS 55 -1.987 -14.503 5.318
439 2HZ LYS 55 HZ2 LYS 55 -2.302 -13.509 6.658
440 3HZ LYS 55 HZ3 LYS 55 -2.776 -13.015 5.103
441 H LYS 56 H LYS 56 2.865 -8.201 2.287
442 HA LYS 56 HA LYS 56 4.143 -9.739 0.115
443 1HB LYS 56 HB1 LYS 56 2.013 -7.802 0.194
444 2HB LYS 56 HB2 LYS 56 3.365 -7.003 -0.662
445 1HG LYS 56 HG1 LYS 56 3.573 -8.969 -2.161
446 2HG LYS 56 HG2 LYS 56 2.162 -9.726 -1.455
447 1HD LYS 56 HD1 LYS 56 2.105 -6.942 -2.985
448 2HD LYS 56 HD2 LYS 56 1.778 -8.569 -3.628
449 1HE LYS 56 HE1 LYS 56 -0.169 -8.978 -2.260
450 2HE LYS 56 HE2 LYS 56 0.097 -7.469 -1.307
451 1HZ LYS 56 HZ1 LYS 56 -0.416 -7.608 -4.230
452 2HZ LYS 56 HZ2 LYS 56 -1.527 -7.165 -3.024
453 3HZ LYS 56 HZ3 LYS 56 -0.164 -6.196 -3.321
454 H CYS 57 H CYS 57 4.772 -7.289 2.617
455 HA CYS 57 HA CYS 57 7.321 -6.484 1.342
456 1HB CYS 57 HB1 CYS 57 5.126 -4.712 2.668
457 2HB CYS 57 HB2 CYS 57 6.711 -4.195 2.529
458 H LEU 58 H LEU 58 6.483 -8.285 4.076
459 HA LEU 58 HA LEU 58 9.045 -7.373 5.230
460 1HB LEU 58 HB1 LEU 58 6.431 -7.351 6.698
461 2HB LEU 58 HB2 LEU 58 7.863 -7.890 7.647
462 HG LEU 58 HG LEU 58 7.643 -5.283 6.168
463 1HD1 LEU 58 HD11 LEU 58 7.489 -6.003 9.197
464 2HD1 LEU 58 HD12 LEU 58 7.598 -4.321 8.558
465 3HD1 LEU 58 HD13 LEU 58 6.154 -5.333 8.194
466 1HD2 LEU 58 HD21 LEU 58 9.880 -6.449 7.920
467 2HD2 LEU 58 HD22 LEU 58 10.005 -5.810 6.235
468 3HD2 LEU 58 HD23 LEU 58 9.710 -4.686 7.595
469 H GLY 59 H GLY 59 7.005 -9.988 4.341
470 1HA GLY 59 HA1 GLY 59 7.307 -12.154 4.258
471 2HA GLY 59 HA2 GLY 59 8.833 -12.021 5.224
472 H LYS 60 H LYS 60 5.344 -11.176 5.771
473 HA LYS 60 HA LYS 60 5.467 -12.613 8.336
474 1HB LYS 60 HB1 LYS 60 3.500 -10.364 7.614
475 2HB LYS 60 HB2 LYS 60 3.976 -10.911 9.244
476 1HG LYS 60 HG1 LYS 60 6.428 -9.930 8.336
477 2HG LYS 60 HG2 LYS 60 5.325 -9.052 7.243
478 1HD LYS 60 HD1 LYS 60 5.458 -7.534 8.842
479 2HD LYS 60 HD2 LYS 60 4.015 -8.396 9.443
480 1HE LYS 60 HE1 LYS 60 5.328 -9.675 11.103
481 2HE LYS 60 HE2 LYS 60 6.858 -8.893 10.521
482 1HZ LYS 60 HZ1 LYS 60 4.492 -7.492 11.653
483 2HZ LYS 60 HZ2 LYS 60 5.960 -7.801 12.448
484 3HZ LYS 60 HZ3 LYS 60 5.924 -6.761 11.105
No H/Q in entry = 484
Start of MODEL 13
1 H TRP 1 H TRP 1 13.363 -12.598 3.815
2 HA TRP 1 HA TRP 1 11.758 -12.136 1.572
3 1HB TRP 1 HB1 TRP 1 9.838 -11.685 3.240
4 2HB TRP 1 HB2 TRP 1 10.984 -10.750 4.209
5 HD1 TRP 1 HD1 TRP 1 8.793 -10.451 0.911
6 HE1 TRP 1 HE1 TRP 1 8.497 -8.030 0.445
7 HE3 TRP 1 HE3 TRP 1 12.014 -8.627 4.470
8 HZ2 TRP 1 HZ2 TRP 1 9.661 -5.585 1.292
9 HZ3 TRP 1 HZ3 TRP 1 12.310 -6.180 4.637
10 HH2 TRP 1 HH2 TRP 1 11.126 -4.659 3.074
11 H GLN 2 H GLN 2 12.474 -10.274 0.460
12 HA GLN 2 HA GLN 2 14.334 -8.342 1.494
13 1HB GLN 2 HB1 GLN 2 15.000 -9.901 -1.141
14 2HB GLN 2 HB2 GLN 2 15.818 -8.482 -0.473
15 1HG GLN 2 HG1 GLN 2 17.346 -10.129 0.018
16 2HG GLN 2 HG2 GLN 2 16.523 -9.871 1.592
17 1HE2 GLN 2 HE21 GLN 2 15.141 -13.314 -0.133
18 2HE2 GLN 2 HE22 GLN 2 14.660 -11.749 -0.762
19 HA PRO 3 HA PRO 3 10.891 -6.748 -0.451
20 1HB PRO 3 HB1 PRO 3 11.080 -4.256 -0.898
21 2HB PRO 3 HB2 PRO 3 11.643 -4.810 0.611
22 1HG PRO 3 HG1 PRO 3 13.826 -4.594 -1.456
23 2HG PRO 3 HG2 PRO 3 13.789 -3.807 0.175
24 1HD PRO 3 HD1 PRO 3 14.937 -6.230 -0.249
25 2HD PRO 3 HD2 PRO 3 13.897 -5.993 1.240
26 HA PRO 4 HA PRO 4 11.056 -7.345 -5.001
27 1HB PRO 4 HB1 PRO 4 8.050 -7.815 -4.397
28 2HB PRO 4 HB2 PRO 4 9.168 -8.786 -5.439
29 1HG PRO 4 HG1 PRO 4 8.625 -9.733 -2.943
30 2HG PRO 4 HG2 PRO 4 10.325 -9.536 -3.409
31 1HD PRO 4 HD1 PRO 4 8.837 -7.230 -1.796
32 2HD PRO 4 HD2 PRO 4 10.162 -8.360 -1.413
33 H TRP 5 H TRP 5 7.825 -6.364 -5.441
34 HA TRP 5 HA TRP 5 8.601 -3.781 -6.533
35 1HB TRP 5 HB1 TRP 5 6.286 -3.667 -7.602
36 2HB TRP 5 HB2 TRP 5 7.467 -4.858 -8.144
37 HD1 TRP 5 HD1 TRP 5 6.954 -7.408 -7.905
38 HE1 TRP 5 HE1 TRP 5 4.623 -8.643 -7.838
39 HE3 TRP 5 HE3 TRP 5 3.740 -3.833 -6.085
40 HZ2 TRP 5 HZ2 TRP 5 1.910 -7.955 -7.985
41 HZ3 TRP 5 HZ3 TRP 5 1.471 -4.056 -6.298
42 HH2 TRP 5 HH2 TRP 5 0.446 -6.085 -7.278
43 H TYR 6 H TYR 6 5.705 -4.737 -4.815
44 HA TYR 6 HA TYR 6 4.317 -2.651 -4.226
45 1HB TYR 6 HB1 TYR 6 4.505 -4.470 -1.816
46 2HB TYR 6 HB2 TYR 6 3.141 -4.127 -2.901
47 HD1 TYR 6 HD1 TYR 6 6.169 -6.233 -2.257
48 HD2 TYR 6 HD2 TYR 6 2.641 -5.737 -4.618
49 HE1 TYR 6 HE1 TYR 6 6.223 -8.661 -3.045
50 HE2 TYR 6 HE2 TYR 6 2.779 -8.077 -5.370
51 HH TYR 6 HH TYR 6 3.861 -10.043 -5.148
52 H CYS 7 H CYS 7 6.813 -3.539 -1.919
53 HA CYS 7 HA CYS 7 6.439 -1.818 0.028
54 1HB CYS 7 HB1 CYS 7 9.270 -2.757 -0.722
55 2HB CYS 7 HB2 CYS 7 8.481 -2.637 0.881
56 H LYS 8 H LYS 8 8.146 -1.235 -2.914
57 HA LYS 8 HA LYS 8 9.156 1.443 -2.209
58 1HB LYS 8 HB1 LYS 8 9.879 -0.713 -4.320
59 2HB LYS 8 HB2 LYS 8 10.774 0.832 -4.134
60 1HG LYS 8 HG1 LYS 8 11.907 0.088 -2.240
61 2HG LYS 8 HG2 LYS 8 10.591 -0.977 -1.691
62 1HD LYS 8 HD1 LYS 8 12.348 -2.421 -2.299
63 2HD LYS 8 HD2 LYS 8 11.004 -2.618 -3.470
64 1HE LYS 8 HE1 LYS 8 13.190 -2.677 -4.642
65 2HE LYS 8 HE2 LYS 8 12.255 -1.224 -5.171
66 1HZ LYS 8 HZ1 LYS 8 14.416 -1.272 -3.125
67 2HZ LYS 8 HZ2 LYS 8 14.540 -0.707 -4.722
68 3HZ LYS 8 HZ3 LYS 8 13.532 0.094 -3.613
69 H GLU 9 H GLU 9 6.296 0.283 -3.380
70 HA GLU 9 HA GLU 9 6.375 1.164 -6.102
71 1HB GLU 9 HB1 GLU 9 5.454 -0.904 -5.377
72 2HB GLU 9 HB2 GLU 9 4.144 -0.038 -4.563
73 1HG GLU 9 HG1 GLU 9 3.384 -0.825 -6.691
74 2HG GLU 9 HG2 GLU 9 3.484 0.937 -6.912
75 HA PRO 10 HA PRO 10 4.829 5.220 -5.312
76 1HB PRO 10 HB1 PRO 10 3.561 5.100 -8.097
77 2HB PRO 10 HB2 PRO 10 4.597 6.395 -7.367
78 1HG PRO 10 HG1 PRO 10 5.652 4.595 -9.078
79 2HG PRO 10 HG2 PRO 10 6.557 4.940 -7.548
80 1HD PRO 10 HD1 PRO 10 4.542 2.663 -8.056
81 2HD PRO 10 HD2 PRO 10 6.258 2.529 -7.464
82 H VAL 11 H VAL 11 3.187 5.673 -3.871
83 HA VAL 11 HA VAL 11 0.578 4.628 -3.885
84 HB VAL 11 HB VAL 11 1.945 5.080 -1.949
85 1HG1 VAL 11 HG11 VAL 11 3.083 7.239 -2.616
86 2HG1 VAL 11 HG12 VAL 11 1.513 8.105 -2.424
87 3HG1 VAL 11 HG13 VAL 11 2.292 7.313 -1.011
88 1HG2 VAL 11 HG21 VAL 11 -0.780 6.496 -2.084
89 2HG2 VAL 11 HG22 VAL 11 -0.395 4.791 -1.656
90 3HG2 VAL 11 HG23 VAL 11 0.103 6.124 -0.557
91 H ARG 12 H ARG 12 -1.344 5.394 -4.752
92 HA ARG 12 HA ARG 12 -1.451 8.032 -6.093
93 1HB ARG 12 HB1 ARG 12 -2.011 5.276 -7.251
94 2HB ARG 12 HB2 ARG 12 -2.497 6.799 -8.109
95 1HG ARG 12 HG1 ARG 12 0.382 6.022 -7.451
96 2HG ARG 12 HG2 ARG 12 -0.519 5.613 -8.923
97 1HD ARG 12 HD1 ARG 12 0.920 7.636 -9.311
98 2HD ARG 12 HD2 ARG 12 -0.818 7.640 -9.761
99 HE ARG 12 HE ARG 12 0.349 9.246 -7.394
100 1HH1 ARG 12 HH11 ARG 12 -2.265 8.769 -9.689
101 2HH1 ARG 12 HH12 ARG 12 -2.826 10.411 -9.518
102 1HH2 ARG 12 HH21 ARG 12 -0.648 11.120 -6.929
103 2HH2 ARG 12 HH22 ARG 12 -2.052 11.620 -7.807
104 H ILE 13 H ILE 13 -3.357 9.047 -5.479
105 HA ILE 13 HA ILE 13 -5.627 7.598 -4.458
106 HB ILE 13 HB ILE 13 -4.649 9.484 -3.315
107 1HG1 ILE 13 HG11 ILE 13 -7.652 9.718 -3.991
108 2HG1 ILE 13 HG12 ILE 13 -6.846 8.456 -3.013
109 1HG2 ILE 13 HG21 ILE 13 -4.421 11.288 -5.150
110 2HG2 ILE 13 HG22 ILE 13 -6.240 11.231 -5.271
111 3HG2 ILE 13 HG23 ILE 13 -5.429 11.760 -3.773
112 1HD1 ILE 13 HD11 ILE 13 -6.135 10.154 -1.317
113 2HD1 ILE 13 HD12 ILE 13 -6.994 11.445 -2.264
114 3HD1 ILE 13 HD13 ILE 13 -7.932 10.110 -1.506
115 H GLY 14 H GLY 14 -5.021 9.603 -7.300
116 1HA GLY 14 HA1 GLY 14 -6.258 9.695 -9.316
117 2HA GLY 14 HA2 GLY 14 -7.470 8.598 -8.585
118 H SER 15 H SER 15 -9.025 10.189 -9.791
119 HA SER 15 HA SER 15 -10.051 12.069 -7.856
120 1HB SER 15 HB1 SER 15 -8.890 13.279 -10.475
121 2HB SER 15 HB2 SER 15 -10.008 14.137 -9.354
122 HG SER 15 HG SER 15 -7.799 13.027 -8.116
123 H CYS 16 H CYS 16 -11.609 10.178 -8.274
124 HA CYS 16 HA CYS 16 -13.179 10.692 -10.744
125 1HB CYS 16 HB1 CYS 16 -12.387 8.111 -9.297
126 2HB CYS 16 HB2 CYS 16 -13.803 8.189 -10.384
127 H LYS 17 H LYS 17 -13.905 8.696 -7.981
128 HA LYS 17 HA LYS 17 -16.580 9.954 -7.935
129 1HB LYS 17 HB1 LYS 17 -15.613 7.213 -6.925
130 2HB LYS 17 HB2 LYS 17 -17.311 7.796 -6.880
131 1HG LYS 17 HG1 LYS 17 -15.610 7.310 -9.384
132 2HG LYS 17 HG2 LYS 17 -16.837 6.207 -8.706
133 1HD LYS 17 HD1 LYS 17 -17.427 9.038 -9.856
134 2HD LYS 17 HD2 LYS 17 -17.597 7.468 -10.694
135 1HE LYS 17 HE1 LYS 17 -19.800 7.990 -10.074
136 2HE LYS 17 HE2 LYS 17 -19.288 6.761 -8.848
137 1HZ LYS 17 HZ1 LYS 17 -19.342 9.723 -8.510
138 2HZ LYS 17 HZ2 LYS 17 -20.461 8.610 -7.881
139 3HZ LYS 17 HZ3 LYS 17 -18.852 8.600 -7.335
140 H LYS 18 H LYS 18 -14.478 8.465 -5.440
141 HA LYS 18 HA LYS 18 -15.338 10.547 -3.520
142 1HB LYS 18 HB1 LYS 18 -17.066 8.651 -3.599
143 2HB LYS 18 HB2 LYS 18 -15.771 7.481 -3.251
144 1HG LYS 18 HG1 LYS 18 -17.286 7.864 -1.378
145 2HG LYS 18 HG2 LYS 18 -15.642 8.237 -0.924
146 1HD LYS 18 HD1 LYS 18 -16.532 10.788 -1.728
147 2HD LYS 18 HD2 LYS 18 -18.095 10.021 -1.318
148 1HE LYS 18 HE1 LYS 18 -17.203 11.279 0.635
149 2HE LYS 18 HE2 LYS 18 -17.107 9.510 1.021
150 1HZ LYS 18 HZ1 LYS 18 -14.903 11.218 -0.032
151 2HZ LYS 18 HZ2 LYS 18 -15.087 10.676 1.567
152 3HZ LYS 18 HZ3 LYS 18 -14.798 9.560 0.320
153 H GLN 19 H GLN 19 -14.243 8.929 -1.374
154 HA GLN 19 HA GLN 19 -11.494 8.296 -2.108
155 1HB GLN 19 HB1 GLN 19 -11.906 9.513 0.650
156 2HB GLN 19 HB2 GLN 19 -10.517 9.520 -0.484
157 1HG GLN 19 HG1 GLN 19 -12.990 11.385 -0.561
158 2HG GLN 19 HG2 GLN 19 -11.371 11.676 0.180
159 1HE2 GLN 19 HE21 GLN 19 -11.686 12.616 -3.705
160 2HE2 GLN 19 HE22 GLN 19 -13.108 12.324 -2.739
161 H PHE 20 H PHE 20 -11.680 5.997 -1.833
162 HA PHE 20 HA PHE 20 -13.369 4.963 0.351
163 1HB PHE 20 HB1 PHE 20 -12.190 3.351 -1.987
164 2HB PHE 20 HB2 PHE 20 -13.521 2.960 -0.888
165 HD1 PHE 20 HD1 PHE 20 -15.651 4.468 -0.898
166 HD2 PHE 20 HD2 PHE 20 -12.831 4.448 -4.203
167 HE1 PHE 20 HE1 PHE 20 -17.437 5.101 -2.473
168 HE2 PHE 20 HE2 PHE 20 -14.614 5.128 -5.703
169 HZ PHE 20 HZ PHE 20 -16.937 5.399 -4.875
170 H SER 21 H SER 21 -12.275 3.718 2.038
171 HA SER 21 HA SER 21 -9.576 4.209 2.530
172 1HB SER 21 HB1 SER 21 -11.459 3.781 4.184
173 2HB SER 21 HB2 SER 21 -11.237 2.025 3.941
174 HG SER 21 HG SER 21 -9.166 2.241 4.841
175 H SER 22 H SER 22 -7.696 3.399 1.902
176 HA SER 22 HA SER 22 -7.389 0.563 1.171
177 1HB SER 22 HB1 SER 22 -6.510 1.215 -0.858
178 2HB SER 22 HB2 SER 22 -6.936 2.888 -0.477
179 HG SER 22 HG SER 22 -4.862 2.958 0.667
180 H PHE 23 H PHE 23 -4.745 0.556 1.044
181 HA PHE 23 HA PHE 23 -3.339 1.430 3.421
182 1HB PHE 23 HB1 PHE 23 -4.063 -1.439 2.990
183 2HB PHE 23 HB2 PHE 23 -2.472 -1.254 3.727
184 HD1 PHE 23 HD1 PHE 23 -2.352 0.155 5.894
185 HD2 PHE 23 HD2 PHE 23 -5.999 -1.441 4.292
186 HE1 PHE 23 HE1 PHE 23 -3.363 0.268 8.149
187 HE2 PHE 23 HE2 PHE 23 -7.023 -1.378 6.573
188 HZ PHE 23 HZ PHE 23 -5.699 -0.535 8.496
189 H TYR 24 H TYR 24 -1.117 1.328 3.154
190 HA TYR 24 HA TYR 24 0.068 -0.031 0.888
191 1HB TYR 24 HB1 TYR 24 1.078 1.685 -0.334
192 2HB TYR 24 HB2 TYR 24 -0.562 2.282 -0.045
193 HD1 TYR 24 HD1 TYR 24 -0.873 4.074 1.952
194 HD2 TYR 24 HD2 TYR 24 2.968 2.948 0.315
195 HE1 TYR 24 HE1 TYR 24 0.068 6.166 2.760
196 HE2 TYR 24 HE2 TYR 24 3.942 5.068 1.281
197 HH TYR 24 HH TYR 24 1.890 7.482 2.917
198 H PHE 25 H PHE 25 2.612 0.098 1.046
199 HA PHE 25 HA PHE 25 3.384 -0.135 3.896
200 1HB PHE 25 HB1 PHE 25 3.706 -2.046 2.144
201 2HB PHE 25 HB2 PHE 25 5.012 -1.072 1.419
202 HD1 PHE 25 HD1 PHE 25 7.134 -0.659 2.818
203 HD2 PHE 25 HD2 PHE 25 3.989 -3.330 4.225
204 HE1 PHE 25 HE1 PHE 25 8.587 -1.689 4.585
205 HE2 PHE 25 HE2 PHE 25 5.326 -4.230 5.875
206 HZ PHE 25 HZ PHE 25 7.742 -3.420 6.075
207 H LYS 26 H LYS 26 4.729 1.700 4.858
208 HA LYS 26 HA LYS 26 5.675 3.608 3.001
209 1HB LYS 26 HB1 LYS 26 4.675 4.405 5.017
210 2HB LYS 26 HB2 LYS 26 6.051 3.801 6.006
211 1HG LYS 26 HG1 LYS 26 7.637 5.198 4.581
212 2HG LYS 26 HG2 LYS 26 6.242 5.318 3.444
213 1HD LYS 26 HD1 LYS 26 6.715 7.361 4.394
214 2HD LYS 26 HD2 LYS 26 5.033 6.762 4.677
215 1HE LYS 26 HE1 LYS 26 5.784 6.257 7.136
216 2HE LYS 26 HE2 LYS 26 7.439 6.791 6.611
217 1HZ LYS 26 HZ1 LYS 26 6.559 8.983 6.214
218 2HZ LYS 26 HZ2 LYS 26 4.996 8.489 6.662
219 3HZ LYS 26 HZ3 LYS 26 6.245 8.505 7.813
220 H TRP 27 H TRP 27 7.533 2.800 1.917
221 HA TRP 27 HA TRP 27 9.234 0.851 2.395
222 1HB TRP 27 HB1 TRP 27 8.909 2.106 0.286
223 2HB TRP 27 HB2 TRP 27 9.328 3.568 1.093
224 HD1 TRP 27 HD1 TRP 27 11.413 4.398 -0.166
225 HE1 TRP 27 HE1 TRP 27 13.719 3.408 -0.848
226 HE3 TRP 27 HE3 TRP 27 10.630 -0.394 1.279
227 HZ2 TRP 27 HZ2 TRP 27 15.023 0.894 -0.720
228 HZ3 TRP 27 HZ3 TRP 27 12.412 -2.050 1.064
229 HH2 TRP 27 HH2 TRP 27 14.615 -1.430 0.047
230 H THR 28 H THR 28 9.800 4.205 3.499
231 HA THR 28 HA THR 28 12.376 3.696 4.579
232 HB THR 28 HB THR 28 12.062 6.214 5.265
233 HG1 THR 28 HG1 THR 28 10.488 7.142 3.863
234 1HG2 THR 28 HG21 THR 28 13.430 5.325 3.345
235 2HG2 THR 28 HG22 THR 28 11.958 5.275 2.316
236 3HG2 THR 28 HG23 THR 28 12.592 6.855 2.912
237 H ALA 29 H ALA 29 9.019 3.837 5.976
238 HA ALA 29 HA ALA 29 10.091 4.001 8.697
239 1HB ALA 29 HB1 ALA 29 7.240 3.417 7.649
240 2HB ALA 29 HB2 ALA 29 7.668 3.620 9.389
241 3HB ALA 29 HB3 ALA 29 7.888 4.978 8.284
242 H LYS 30 H LYS 30 9.366 1.491 6.418
243 HA LYS 30 HA LYS 30 9.537 -0.712 6.410
244 1HB LYS 30 HB1 LYS 30 10.815 -0.595 9.120
245 2HB LYS 30 HB2 LYS 30 10.690 -2.059 8.100
246 1HG LYS 30 HG1 LYS 30 12.042 0.591 7.251
247 2HG LYS 30 HG2 LYS 30 12.871 -0.842 7.936
248 1HD LYS 30 HD1 LYS 30 11.411 -0.749 5.214
249 2HD LYS 30 HD2 LYS 30 13.168 -0.614 5.498
250 1HE LYS 30 HE1 LYS 30 13.175 -2.937 6.538
251 2HE LYS 30 HE2 LYS 30 11.437 -3.111 6.063
252 1HZ LYS 30 HZ1 LYS 30 13.728 -2.599 4.230
253 2HZ LYS 30 HZ2 LYS 30 12.916 -4.074 4.456
254 3HZ LYS 30 HZ3 LYS 30 12.100 -2.751 3.772
255 H LYS 31 H LYS 31 7.187 0.786 7.382
256 HA LYS 31 HA LYS 31 5.568 -1.416 8.306
257 1HB LYS 31 HB1 LYS 31 6.375 0.952 9.953
258 2HB LYS 31 HB2 LYS 31 4.606 0.739 10.014
259 1HG LYS 31 HG1 LYS 31 6.478 -1.607 10.626
260 2HG LYS 31 HG2 LYS 31 6.114 -0.330 11.825
261 1HD LYS 31 HD1 LYS 31 3.696 -0.687 11.633
262 2HD LYS 31 HD2 LYS 31 3.927 -2.023 10.460
263 1HE LYS 31 HE1 LYS 31 5.016 -1.992 13.364
264 2HE LYS 31 HE2 LYS 31 3.497 -2.817 12.824
265 1HZ LYS 31 HZ1 LYS 31 4.811 -4.153 11.327
266 2HZ LYS 31 HZ2 LYS 31 6.240 -3.387 11.834
267 3HZ LYS 31 HZ3 LYS 31 5.341 -4.322 12.932
268 H CYS 32 H CYS 32 3.233 -0.897 8.397
269 HA CYS 32 HA CYS 32 2.471 0.203 5.839
270 1HB CYS 32 HB1 CYS 32 1.002 -1.506 7.923
271 2HB CYS 32 HB2 CYS 32 0.358 -1.203 6.253
272 H LEU 33 H LEU 33 0.966 1.716 5.316
273 HA LEU 33 HA LEU 33 -0.175 3.335 7.521
274 1HB LEU 33 HB1 LEU 33 0.813 4.422 4.806
275 2HB LEU 33 HB2 LEU 33 0.135 5.366 6.170
276 HG LEU 33 HG LEU 33 2.885 4.014 6.018
277 1HD1 LEU 33 HD11 LEU 33 1.884 6.929 6.168
278 2HD1 LEU 33 HD12 LEU 33 3.595 6.402 6.342
279 3HD1 LEU 33 HD13 LEU 33 2.731 6.090 4.801
280 1HD2 LEU 33 HD21 LEU 33 1.535 5.573 8.354
281 2HD2 LEU 33 HD22 LEU 33 1.992 3.837 8.430
282 3HD2 LEU 33 HD23 LEU 33 3.261 5.091 8.285
283 HA PRO 34 HA PRO 34 -3.822 2.980 4.624
284 1HB PRO 34 HB1 PRO 34 -5.719 4.260 6.107
285 2HB PRO 34 HB2 PRO 34 -4.960 2.753 6.717
286 1HG PRO 34 HG1 PRO 34 -4.248 5.628 7.548
287 2HG PRO 34 HG2 PRO 34 -4.517 4.198 8.619
288 1HD PRO 34 HD1 PRO 34 -1.980 5.153 7.535
289 2HD PRO 34 HD2 PRO 34 -2.278 3.507 8.284
290 H PHE 35 H PHE 35 -4.527 4.082 2.998
291 HA PHE 35 HA PHE 35 -4.571 6.969 2.987
292 1HB PHE 35 HB1 PHE 35 -3.172 7.538 1.290
293 2HB PHE 35 HB2 PHE 35 -2.261 6.163 1.925
294 HD1 PHE 35 HD1 PHE 35 -2.533 3.865 0.670
295 HD2 PHE 35 HD2 PHE 35 -4.101 7.578 -1.012
296 HE1 PHE 35 HE1 PHE 35 -2.722 2.845 -1.498
297 HE2 PHE 35 HE2 PHE 35 -4.249 6.481 -3.119
298 HZ PHE 35 HZ PHE 35 -3.578 4.137 -3.442
299 H LEU 36 H LEU 36 -6.215 7.531 1.128
300 HA LEU 36 HA LEU 36 -8.096 5.322 0.736
301 1HB LEU 36 HB1 LEU 36 -8.566 8.402 0.738
302 2HB LEU 36 HB2 LEU 36 -9.710 7.141 0.298
303 HG LEU 36 HG LEU 36 -9.477 6.126 2.568
304 1HD1 LEU 36 HD11 LEU 36 -8.204 8.794 3.245
305 2HD1 LEU 36 HD12 LEU 36 -9.011 7.683 4.436
306 3HD1 LEU 36 HD13 LEU 36 -7.589 7.078 3.525
307 1HD2 LEU 36 HD21 LEU 36 -11.503 7.371 1.891
308 2HD2 LEU 36 HD22 LEU 36 -11.121 7.628 3.616
309 3HD2 LEU 36 HD23 LEU 36 -10.739 8.921 2.425
310 H PHE 37 H PHE 37 -9.086 5.258 -1.335
311 HA PHE 37 HA PHE 37 -7.561 6.390 -3.663
312 1HB PHE 37 HB1 PHE 37 -6.862 4.087 -3.407
313 2HB PHE 37 HB2 PHE 37 -8.557 3.637 -2.899
314 HD1 PHE 37 HD1 PHE 37 -7.100 5.180 -6.285
315 HD2 PHE 37 HD2 PHE 37 -9.513 2.182 -4.233
316 HE1 PHE 37 HE1 PHE 37 -7.873 4.276 -8.367
317 HE2 PHE 37 HE2 PHE 37 -10.169 1.299 -6.446
318 HZ PHE 37 HZ PHE 37 -9.125 2.173 -8.478
319 H SER 38 H SER 38 -8.826 7.232 -5.468
320 HA SER 38 HA SER 38 -11.615 7.697 -4.871
321 1HB SER 38 HB1 SER 38 -9.888 9.404 -5.705
322 2HB SER 38 HB2 SER 38 -10.124 8.729 -7.347
323 HG SER 38 HG SER 38 -12.165 9.746 -5.577
324 H GLY 39 H GLY 39 -10.105 5.326 -6.850
325 1HA GLY 39 HA1 GLY 39 -11.435 3.489 -7.353
326 2HA GLY 39 HA2 GLY 39 -12.732 4.438 -7.928
327 H CYS 40 H CYS 40 -10.746 6.173 -9.532
328 HA CYS 40 HA CYS 40 -9.546 4.271 -11.397
329 1HB CYS 40 HB1 CYS 40 -10.388 5.863 -13.373
330 2HB CYS 40 HB2 CYS 40 -11.348 4.506 -12.759
331 H GLY 41 H GLY 41 -7.586 5.088 -12.275
332 1HA GLY 41 HA1 GLY 41 -5.934 6.875 -12.445
333 2HA GLY 41 HA2 GLY 41 -6.737 7.738 -11.127
334 H GLY 42 H GLY 42 -6.376 4.424 -10.363
335 1HA GLY 42 HA1 GLY 42 -3.997 4.976 -8.673
336 2HA GLY 42 HA2 GLY 42 -5.273 3.734 -8.447
337 H ASN 43 H ASN 43 -3.054 2.547 -8.021
338 HA ASN 43 HA ASN 43 -2.403 1.192 -10.585
339 1HB ASN 43 HB1 ASN 43 -0.043 0.974 -10.124
340 2HB ASN 43 HB2 ASN 43 -0.622 2.659 -10.251
341 1HD2 ASN 43 HD21 ASN 43 1.479 3.321 -7.604
342 2HD2 ASN 43 HD22 ASN 43 1.182 3.382 -9.341
343 H ALA 44 H ALA 44 -0.748 0.057 -7.824
344 HA ALA 44 HA ALA 44 -2.541 -2.255 -7.501
345 1HB ALA 44 HB1 ALA 44 -1.374 -2.744 -9.651
346 2HB ALA 44 HB2 ALA 44 0.222 -2.587 -8.850
347 3HB ALA 44 HB3 ALA 44 -0.930 -3.933 -8.405
348 H ASN 45 H ASN 45 -0.621 -0.046 -5.985
349 HA ASN 45 HA ASN 45 0.369 -1.940 -3.938
350 1HB ASN 45 HB1 ASN 45 1.887 -0.079 -4.960
351 2HB ASN 45 HB2 ASN 45 0.941 1.115 -4.067
352 1HD2 ASN 45 HD21 ASN 45 3.655 0.514 -1.801
353 2HD2 ASN 45 HD22 ASN 45 2.783 1.637 -2.797
354 H ARG 46 H ARG 46 -2.517 -1.695 -3.992
355 HA ARG 46 HA ARG 46 -3.016 -0.192 -1.551
356 1HB ARG 46 HB1 ARG 46 -5.018 0.819 -2.175
357 2HB ARG 46 HB2 ARG 46 -3.662 1.415 -3.131
358 1HG ARG 46 HG1 ARG 46 -5.820 -0.571 -4.041
359 2HG ARG 46 HG2 ARG 46 -5.878 1.215 -4.285
360 1HD ARG 46 HD1 ARG 46 -4.061 -0.778 -5.729
361 2HD ARG 46 HD2 ARG 46 -5.271 0.333 -6.460
362 HE ARG 46 HE ARG 46 -2.502 0.946 -5.696
363 1HH1 ARG 46 HH11 ARG 46 -5.567 2.761 -6.094
364 2HH1 ARG 46 HH12 ARG 46 -4.644 4.263 -5.941
365 1HH2 ARG 46 HH21 ARG 46 -1.599 2.810 -5.800
366 2HH2 ARG 46 HH22 ARG 46 -2.591 4.267 -5.960
367 H PHE 47 H PHE 47 -3.325 -1.425 -0.160
368 HA PHE 47 HA PHE 47 -3.965 -4.237 -0.591
369 1HB PHE 47 HB1 PHE 47 -2.852 -2.562 1.722
370 2HB PHE 47 HB2 PHE 47 -2.881 -4.326 1.822
371 HD1 PHE 47 HD1 PHE 47 -1.879 -3.800 -1.630
372 HD2 PHE 47 HD2 PHE 47 -0.548 -3.128 2.408
373 HE1 PHE 47 HE1 PHE 47 0.403 -3.662 -2.404
374 HE2 PHE 47 HE2 PHE 47 1.793 -3.052 1.613
375 HZ PHE 47 HZ PHE 47 2.274 -3.309 -0.803
376 H GLN 48 H GLN 48 -5.452 -5.468 0.625
377 HA GLN 48 HA GLN 48 -7.963 -4.161 0.955
378 1HB GLN 48 HB1 GLN 48 -7.134 -7.072 1.571
379 2HB GLN 48 HB2 GLN 48 -8.827 -6.491 1.381
380 1HG GLN 48 HG1 GLN 48 -8.525 -6.068 -1.012
381 2HG GLN 48 HG2 GLN 48 -6.780 -6.475 -0.983
382 1HE2 GLN 48 HE21 GLN 48 -7.535 -10.025 -0.499
383 2HE2 GLN 48 HE22 GLN 48 -6.279 -8.832 -0.221
384 H THR 49 H THR 49 -5.779 -5.578 3.338
385 HA THR 49 HA THR 49 -7.124 -4.291 5.587
386 HB THR 49 HB THR 49 -6.724 -6.303 7.050
387 HG1 THR 49 HG1 THR 49 -6.472 -7.837 4.703
388 1HG2 THR 49 HG21 THR 49 -8.973 -5.919 6.055
389 2HG2 THR 49 HG22 THR 49 -8.558 -6.953 4.648
390 3HG2 THR 49 HG23 THR 49 -8.615 -7.662 6.302
391 H ILE 50 H ILE 50 -5.335 -4.633 7.574
392 HA ILE 50 HA ILE 50 -2.837 -3.629 6.554
393 HB ILE 50 HB ILE 50 -3.840 -2.685 8.511
394 1HG1 ILE 50 HG11 ILE 50 -1.085 -3.887 9.175
395 2HG1 ILE 50 HG12 ILE 50 -1.357 -2.596 7.960
396 1HG2 ILE 50 HG21 ILE 50 -4.808 -4.779 9.568
397 2HG2 ILE 50 HG22 ILE 50 -3.136 -5.329 9.965
398 3HG2 ILE 50 HG23 ILE 50 -3.794 -3.837 10.707
399 1HD1 ILE 50 HD11 ILE 50 -2.308 -1.113 9.753
400 2HD1 ILE 50 HD12 ILE 50 -1.991 -2.397 10.976
401 3HD1 ILE 50 HD13 ILE 50 -0.623 -1.611 10.111
402 H GLY 51 H GLY 51 -3.989 -6.817 7.168
403 1HA GLY 51 HA1 GLY 51 -1.455 -8.085 7.643
404 2HA GLY 51 HA2 GLY 51 -3.015 -8.829 7.263
405 H GLU 52 H GLU 52 -3.058 -7.041 4.708
406 HA GLU 52 HA GLU 52 -1.700 -8.890 2.914
407 1HB GLU 52 HB1 GLU 52 -4.003 -8.217 2.524
408 2HB GLU 52 HB2 GLU 52 -3.547 -6.490 2.544
409 1HG GLU 52 HG1 GLU 52 -4.127 -7.298 0.289
410 2HG GLU 52 HG2 GLU 52 -2.480 -6.652 0.342
411 H CYS 53 H CYS 53 -0.716 -6.308 4.655
412 HA CYS 53 HA CYS 53 1.138 -5.053 2.786
413 1HB CYS 53 HB1 CYS 53 -0.497 -3.930 4.596
414 2HB CYS 53 HB2 CYS 53 0.615 -4.509 5.786
415 H ARG 54 H ARG 54 1.087 -7.262 5.257
416 HA ARG 54 HA ARG 54 3.888 -7.488 6.097
417 1HB ARG 54 HB1 ARG 54 1.127 -8.679 6.745
418 2HB ARG 54 HB2 ARG 54 2.525 -9.648 7.223
419 1HG ARG 54 HG1 ARG 54 1.884 -8.524 9.086
420 2HG ARG 54 HG2 ARG 54 3.427 -7.754 8.575
421 1HD ARG 54 HD1 ARG 54 0.725 -6.563 7.778
422 2HD ARG 54 HD2 ARG 54 1.277 -6.384 9.456
423 HE ARG 54 HE ARG 54 2.649 -5.086 7.065
424 1HH1 ARG 54 HH11 ARG 54 2.975 -5.924 10.461
425 2HH1 ARG 54 HH12 ARG 54 4.124 -4.650 10.746
426 1HH2 ARG 54 HH21 ARG 54 4.290 -3.603 7.509
427 2HH2 ARG 54 HH22 ARG 54 4.847 -3.480 9.145
428 H LYS 55 H LYS 55 1.482 -9.066 4.221
429 HA LYS 55 HA LYS 55 2.755 -11.481 3.472
430 1HB LYS 55 HB1 LYS 55 0.328 -10.847 3.766
431 2HB LYS 55 HB2 LYS 55 0.370 -10.010 2.178
432 1HG LYS 55 HG1 LYS 55 1.057 -12.364 1.223
433 2HG LYS 55 HG2 LYS 55 0.634 -13.016 2.844
434 1HD LYS 55 HD1 LYS 55 -1.175 -11.488 0.885
435 2HD LYS 55 HD2 LYS 55 -1.277 -13.238 1.246
436 1HE LYS 55 HE1 LYS 55 -2.181 -12.814 3.492
437 2HE LYS 55 HE2 LYS 55 -1.854 -11.046 3.391
438 1HZ LYS 55 HZ1 LYS 55 -3.729 -12.528 1.653
439 2HZ LYS 55 HZ2 LYS 55 -4.117 -11.505 2.953
440 3HZ LYS 55 HZ3 LYS 55 -3.369 -10.869 1.566
441 H LYS 56 H LYS 56 2.694 -8.276 2.009
442 HA LYS 56 HA LYS 56 4.087 -9.204 -0.436
443 1HB LYS 56 HB1 LYS 56 2.442 -6.718 0.216
444 2HB LYS 56 HB2 LYS 56 3.586 -6.699 -1.147
445 1HG LYS 56 HG1 LYS 56 2.607 -8.736 -2.087
446 2HG LYS 56 HG2 LYS 56 1.276 -8.697 -0.889
447 1HD LYS 56 HD1 LYS 56 1.739 -6.170 -2.709
448 2HD LYS 56 HD2 LYS 56 1.140 -7.705 -3.415
449 1HE LYS 56 HE1 LYS 56 -0.777 -7.846 -1.937
450 2HE LYS 56 HE2 LYS 56 -0.300 -6.307 -1.108
451 1HZ LYS 56 HZ1 LYS 56 -0.893 -6.659 -4.017
452 2HZ LYS 56 HZ2 LYS 56 -1.925 -5.968 -2.857
453 3HZ LYS 56 HZ3 LYS 56 -0.464 -5.201 -3.257
454 H CYS 57 H CYS 57 4.617 -7.014 2.418
455 HA CYS 57 HA CYS 57 7.403 -6.487 1.314
456 1HB CYS 57 HB1 CYS 57 5.315 -4.777 2.664
457 2HB CYS 57 HB2 CYS 57 7.025 -4.221 2.471
458 H LEU 58 H LEU 58 6.276 -8.412 3.858
459 HA LEU 58 HA LEU 58 8.837 -7.707 5.155
460 1HB LEU 58 HB1 LEU 58 6.274 -7.742 6.707
461 2HB LEU 58 HB2 LEU 58 7.820 -8.209 7.508
462 HG LEU 58 HG LEU 58 7.325 -5.581 6.120
463 1HD1 LEU 58 HD11 LEU 58 6.037 -5.889 8.269
464 2HD1 LEU 58 HD12 LEU 58 7.565 -6.319 9.126
465 3HD1 LEU 58 HD13 LEU 58 7.347 -4.658 8.464
466 1HD2 LEU 58 HD21 LEU 58 9.793 -6.543 7.658
467 2HD2 LEU 58 HD22 LEU 58 9.716 -5.993 5.934
468 3HD2 LEU 58 HD23 LEU 58 9.426 -4.824 7.251
469 H GLY 59 H GLY 59 6.576 -10.170 4.173
470 1HA GLY 59 HA1 GLY 59 6.926 -12.312 3.793
471 2HA GLY 59 HA2 GLY 59 8.458 -12.282 4.747
472 H LYS 60 H LYS 60 5.016 -11.425 5.512
473 HA LYS 60 HA LYS 60 4.804 -13.530 7.467
474 1HB LYS 60 HB1 LYS 60 4.476 -11.783 9.321
475 2HB LYS 60 HB2 LYS 60 6.187 -11.979 8.808
476 1HG LYS 60 HG1 LYS 60 6.067 -9.906 7.382
477 2HG LYS 60 HG2 LYS 60 4.416 -9.640 7.848
478 1HD LYS 60 HD1 LYS 60 6.886 -9.474 9.621
479 2HD LYS 60 HD2 LYS 60 5.694 -8.209 9.157
480 1HE LYS 60 HE1 LYS 60 3.946 -9.617 10.564
481 2HE LYS 60 HE2 LYS 60 5.377 -10.513 11.192
482 1HZ LYS 60 HZ1 LYS 60 6.303 -8.417 11.914
483 2HZ LYS 60 HZ2 LYS 60 4.957 -7.572 11.313
484 3HZ LYS 60 HZ3 LYS 60 4.766 -8.679 12.587
No H/Q in entry = 484
Start of MODEL 14
1 H TRP 1 H TRP 1 12.265 -12.751 4.190
2 HA TRP 1 HA TRP 1 11.654 -12.365 1.371
3 1HB TRP 1 HB1 TRP 1 9.613 -12.044 2.488
4 2HB TRP 1 HB2 TRP 1 10.282 -11.192 3.887
5 HD1 TRP 1 HD1 TRP 1 8.606 -10.322 0.553
6 HE1 TRP 1 HE1 TRP 1 8.463 -7.880 0.384
7 HE3 TRP 1 HE3 TRP 1 11.733 -9.110 4.455
8 HZ2 TRP 1 HZ2 TRP 1 9.770 -5.590 1.525
9 HZ3 TRP 1 HZ3 TRP 1 12.174 -6.724 4.890
10 HH2 TRP 1 HH2 TRP 1 11.202 -4.979 3.434
11 H GLN 2 H GLN 2 12.393 -10.495 0.314
12 HA GLN 2 HA GLN 2 14.257 -8.677 1.590
13 1HB GLN 2 HB1 GLN 2 14.895 -10.542 -0.773
14 2HB GLN 2 HB2 GLN 2 15.413 -8.846 -0.918
15 1HG GLN 2 HG1 GLN 2 17.325 -9.709 -0.143
16 2HG GLN 2 HG2 GLN 2 16.636 -9.066 1.380
17 1HE2 GLN 2 HE21 GLN 2 16.312 -12.491 2.653
18 2HE2 GLN 2 HE22 GLN 2 15.319 -11.054 2.648
19 HA PRO 3 HA PRO 3 11.064 -6.529 -0.277
20 1HB PRO 3 HB1 PRO 3 12.208 -3.866 -0.796
21 2HB PRO 3 HB2 PRO 3 11.307 -4.529 0.609
22 1HG PRO 3 HG1 PRO 3 14.199 -4.008 0.464
23 2HG PRO 3 HG2 PRO 3 13.228 -4.652 1.834
24 1HD PRO 3 HD1 PRO 3 14.952 -6.092 -0.119
25 2HD PRO 3 HD2 PRO 3 14.321 -6.577 1.533
26 HA PRO 4 HA PRO 4 11.462 -6.674 -4.848
27 1HB PRO 4 HB1 PRO 4 8.976 -7.771 -5.337
28 2HB PRO 4 HB2 PRO 4 10.059 -8.626 -4.215
29 1HG PRO 4 HG1 PRO 4 7.996 -6.628 -3.378
30 2HG PRO 4 HG2 PRO 4 8.215 -8.395 -2.832
31 1HD PRO 4 HD1 PRO 4 9.143 -6.170 -1.489
32 2HD PRO 4 HD2 PRO 4 9.968 -7.811 -1.527
33 H TRP 5 H TRP 5 8.208 -6.032 -5.457
34 HA TRP 5 HA TRP 5 8.701 -3.276 -6.282
35 1HB TRP 5 HB1 TRP 5 6.440 -3.293 -7.471
36 2HB TRP 5 HB2 TRP 5 7.707 -4.356 -8.049
37 HD1 TRP 5 HD1 TRP 5 7.372 -6.826 -8.180
38 HE1 TRP 5 HE1 TRP 5 5.197 -8.335 -7.945
39 HE3 TRP 5 HE3 TRP 5 3.790 -3.781 -6.060
40 HZ2 TRP 5 HZ2 TRP 5 2.448 -7.934 -8.273
41 HZ3 TRP 5 HZ3 TRP 5 1.512 -4.162 -6.512
42 HH2 TRP 5 HH2 TRP 5 0.777 -6.251 -7.590
43 H TYR 6 H TYR 6 5.895 -4.728 -4.605
44 HA TYR 6 HA TYR 6 4.306 -2.760 -4.044
45 1HB TYR 6 HB1 TYR 6 4.728 -4.613 -1.639
46 2HB TYR 6 HB2 TYR 6 3.255 -4.267 -2.625
47 HD1 TYR 6 HD1 TYR 6 2.868 -5.643 -4.681
48 HD2 TYR 6 HD2 TYR 6 6.192 -6.238 -2.100
49 HE1 TYR 6 HE1 TYR 6 3.073 -7.926 -5.561
50 HE2 TYR 6 HE2 TYR 6 6.299 -8.727 -2.973
51 HH TYR 6 HH TYR 6 4.080 -9.927 -5.317
52 H CYS 7 H CYS 7 6.882 -3.345 -1.712
53 HA CYS 7 HA CYS 7 6.255 -1.482 0.076
54 1HB CYS 7 HB1 CYS 7 9.201 -2.284 -0.385
55 2HB CYS 7 HB2 CYS 7 8.298 -2.050 1.148
56 H LYS 8 H LYS 8 8.139 -1.268 -2.823
57 HA LYS 8 HA LYS 8 9.058 1.505 -2.504
58 1HB LYS 8 HB1 LYS 8 9.896 -0.644 -4.653
59 2HB LYS 8 HB2 LYS 8 10.655 0.895 -4.287
60 1HG LYS 8 HG1 LYS 8 11.159 -0.062 -1.934
61 2HG LYS 8 HG2 LYS 8 10.397 -1.585 -2.468
62 1HD LYS 8 HD1 LYS 8 12.807 -1.868 -2.609
63 2HD LYS 8 HD2 LYS 8 12.235 -1.765 -4.306
64 1HE LYS 8 HE1 LYS 8 13.159 0.554 -4.482
65 2HE LYS 8 HE2 LYS 8 13.482 0.577 -2.702
66 1HZ LYS 8 HZ1 LYS 8 15.007 -1.246 -3.019
67 2HZ LYS 8 HZ2 LYS 8 14.691 -1.275 -4.687
68 3HZ LYS 8 HZ3 LYS 8 15.427 0.086 -3.986
69 H GLU 9 H GLU 9 6.159 0.259 -3.494
70 HA GLU 9 HA GLU 9 6.237 1.024 -6.300
71 1HB GLU 9 HB1 GLU 9 5.365 -1.098 -5.599
72 2HB GLU 9 HB2 GLU 9 4.001 -0.267 -4.859
73 1HG GLU 9 HG1 GLU 9 3.275 -0.855 -7.016
74 2HG GLU 9 HG2 GLU 9 3.672 0.830 -7.365
75 HA PRO 10 HA PRO 10 4.862 5.022 -5.051
76 1HB PRO 10 HB1 PRO 10 3.979 5.442 -7.959
77 2HB PRO 10 HB2 PRO 10 4.991 6.512 -6.906
78 1HG PRO 10 HG1 PRO 10 6.162 4.904 -8.725
79 2HG PRO 10 HG2 PRO 10 6.855 4.897 -7.048
80 1HD PRO 10 HD1 PRO 10 4.768 2.944 -8.201
81 2HD PRO 10 HD2 PRO 10 6.356 2.530 -7.448
82 H VAL 11 H VAL 11 3.099 5.527 -3.773
83 HA VAL 11 HA VAL 11 0.531 4.494 -4.145
84 HB VAL 11 HB VAL 11 1.703 4.937 -2.042
85 1HG1 VAL 11 HG11 VAL 11 2.553 7.291 -2.651
86 2HG1 VAL 11 HG12 VAL 11 0.890 7.913 -2.371
87 3HG1 VAL 11 HG13 VAL 11 1.791 7.136 -1.031
88 1HG2 VAL 11 HG21 VAL 11 -1.156 6.093 -2.303
89 2HG2 VAL 11 HG22 VAL 11 -0.659 4.380 -1.989
90 3HG2 VAL 11 HG23 VAL 11 -0.321 5.662 -0.785
91 H ARG 12 H ARG 12 -1.387 5.245 -4.875
92 HA ARG 12 HA ARG 12 -1.548 7.836 -6.294
93 1HB ARG 12 HB1 ARG 12 -2.386 4.964 -7.122
94 2HB ARG 12 HB2 ARG 12 -2.956 6.388 -8.043
95 1HG ARG 12 HG1 ARG 12 -0.077 5.564 -7.766
96 2HG ARG 12 HG2 ARG 12 -1.267 4.999 -8.973
97 1HD ARG 12 HD1 ARG 12 -1.725 7.581 -9.448
98 2HD ARG 12 HD2 ARG 12 -0.031 7.781 -8.874
99 HE ARG 12 HE ARG 12 -0.891 6.185 -11.345
100 1HH1 ARG 12 HH11 ARG 12 1.650 6.534 -9.006
101 2HH1 ARG 12 HH12 ARG 12 2.909 6.106 -10.143
102 1HH2 ARG 12 HH21 ARG 12 0.727 5.998 -12.815
103 2HH2 ARG 12 HH22 ARG 12 2.331 5.696 -12.300
104 H ILE 13 H ILE 13 -3.347 8.875 -5.230
105 HA ILE 13 HA ILE 13 -5.600 7.259 -4.283
106 HB ILE 13 HB ILE 13 -4.764 8.836 -2.712
107 1HG1 ILE 13 HG11 ILE 13 -7.625 9.393 -3.733
108 2HG1 ILE 13 HG12 ILE 13 -7.012 7.936 -2.872
109 1HG2 ILE 13 HG21 ILE 13 -4.189 10.891 -4.112
110 2HG2 ILE 13 HG22 ILE 13 -5.998 11.030 -4.447
111 3HG2 ILE 13 HG23 ILE 13 -5.321 11.151 -2.789
112 1HD1 ILE 13 HD11 ILE 13 -6.539 9.310 -0.859
113 2HD1 ILE 13 HD12 ILE 13 -7.176 10.783 -1.682
114 3HD1 ILE 13 HD13 ILE 13 -8.296 9.427 -1.291
115 H GLY 14 H GLY 14 -4.745 9.740 -6.624
116 1HA GLY 14 HA1 GLY 14 -5.567 9.800 -8.815
117 2HA GLY 14 HA2 GLY 14 -7.025 8.924 -8.316
118 H SER 15 H SER 15 -8.398 10.270 -6.673
119 HA SER 15 HA SER 15 -9.635 11.997 -6.153
120 1HB SER 15 HB1 SER 15 -9.493 14.355 -6.883
121 2HB SER 15 HB2 SER 15 -7.961 13.750 -6.186
122 HG SER 15 HG SER 15 -7.399 13.312 -8.502
123 H CYS 16 H CYS 16 -10.070 9.919 -8.115
124 HA CYS 16 HA CYS 16 -11.438 10.962 -10.382
125 1HB CYS 16 HB1 CYS 16 -10.189 8.813 -10.209
126 2HB CYS 16 HB2 CYS 16 -11.534 8.107 -9.298
127 H LYS 17 H LYS 17 -13.240 8.665 -8.386
128 HA LYS 17 HA LYS 17 -15.681 10.218 -8.822
129 1HB LYS 17 HB1 LYS 17 -15.194 7.385 -7.720
130 2HB LYS 17 HB2 LYS 17 -16.833 8.114 -7.884
131 1HG LYS 17 HG1 LYS 17 -14.963 7.712 -10.243
132 2HG LYS 17 HG2 LYS 17 -16.223 6.569 -9.657
133 1HD LYS 17 HD1 LYS 17 -17.905 8.530 -9.811
134 2HD LYS 17 HD2 LYS 17 -16.664 9.408 -10.774
135 1HE LYS 17 HE1 LYS 17 -16.679 7.476 -12.432
136 2HE LYS 17 HE2 LYS 17 -17.907 6.652 -11.375
137 1HZ LYS 17 HZ1 LYS 17 -19.376 8.514 -11.722
138 2HZ LYS 17 HZ2 LYS 17 -18.228 9.299 -12.697
139 3HZ LYS 17 HZ3 LYS 17 -18.914 7.831 -13.207
140 H LYS 18 H LYS 18 -14.283 8.619 -5.917
141 HA LYS 18 HA LYS 18 -14.743 10.950 -4.329
142 1HB LYS 18 HB1 LYS 18 -16.161 9.948 -2.539
143 2HB LYS 18 HB2 LYS 18 -16.982 10.207 -4.059
144 1HG LYS 18 HG1 LYS 18 -15.905 7.423 -3.361
145 2HG LYS 18 HG2 LYS 18 -17.411 8.079 -2.683
146 1HD LYS 18 HD1 LYS 18 -16.825 7.495 -5.641
147 2HD LYS 18 HD2 LYS 18 -17.994 6.685 -4.550
148 1HE LYS 18 HE1 LYS 18 -19.394 8.767 -4.460
149 2HE LYS 18 HE2 LYS 18 -18.286 9.549 -5.662
150 1HZ LYS 18 HZ1 LYS 18 -19.816 7.037 -6.076
151 2HZ LYS 18 HZ2 LYS 18 -20.184 8.571 -6.705
152 3HZ LYS 18 HZ3 LYS 18 -18.766 7.772 -7.192
153 H GLN 19 H GLN 19 -14.342 8.620 -1.973
154 HA GLN 19 HA GLN 19 -11.769 7.685 -2.767
155 1HB GLN 19 HB1 GLN 19 -11.112 8.988 -0.211
156 2HB GLN 19 HB2 GLN 19 -10.365 9.047 -1.783
157 1HG GLN 19 HG1 GLN 19 -11.622 11.004 -2.506
158 2HG GLN 19 HG2 GLN 19 -12.607 11.017 -1.004
159 1HE2 GLN 19 HE21 GLN 19 -10.075 12.778 0.767
160 2HE2 GLN 19 HE22 GLN 19 -11.655 12.036 0.851
161 H PHE 20 H PHE 20 -11.778 5.577 -2.026
162 HA PHE 20 HA PHE 20 -13.600 4.843 0.204
163 1HB PHE 20 HB1 PHE 20 -12.270 3.011 -1.916
164 2HB PHE 20 HB2 PHE 20 -13.599 2.551 -0.783
165 HD1 PHE 20 HD1 PHE 20 -15.576 4.680 -0.987
166 HD2 PHE 20 HD2 PHE 20 -13.146 2.990 -4.144
167 HE1 PHE 20 HE1 PHE 20 -17.241 5.352 -2.657
168 HE2 PHE 20 HE2 PHE 20 -14.851 3.596 -5.776
169 HZ PHE 20 HZ PHE 20 -16.934 4.732 -5.051
170 H SER 21 H SER 21 -12.537 3.194 1.810
171 HA SER 21 HA SER 21 -9.846 4.110 2.375
172 1HB SER 21 HB1 SER 21 -11.740 3.875 4.106
173 2HB SER 21 HB2 SER 21 -11.373 2.122 4.125
174 HG SER 21 HG SER 21 -9.528 4.274 4.629
175 H SER 22 H SER 22 -7.930 3.034 2.668
176 HA SER 22 HA SER 22 -7.595 0.248 1.839
177 1HB SER 22 HB1 SER 22 -5.705 1.066 0.210
178 2HB SER 22 HB2 SER 22 -7.257 1.618 -0.303
179 HG SER 22 HG SER 22 -5.486 3.084 1.427
180 H PHE 23 H PHE 23 -5.082 0.056 1.692
181 HA PHE 23 HA PHE 23 -3.462 1.313 3.766
182 1HB PHE 23 HB1 PHE 23 -4.042 -1.664 3.545
183 2HB PHE 23 HB2 PHE 23 -2.465 -1.240 4.193
184 HD1 PHE 23 HD1 PHE 23 -2.366 0.161 6.324
185 HD2 PHE 23 HD2 PHE 23 -6.079 -1.413 4.820
186 HE1 PHE 23 HE1 PHE 23 -3.442 0.695 8.456
187 HE2 PHE 23 HE2 PHE 23 -7.168 -0.888 7.001
188 HZ PHE 23 HZ PHE 23 -5.857 0.197 8.801
189 H TYR 24 H TYR 24 -1.241 1.215 3.349
190 HA TYR 24 HA TYR 24 -0.191 -0.107 1.012
191 1HB TYR 24 HB1 TYR 24 0.629 1.480 -0.347
192 2HB TYR 24 HB2 TYR 24 -0.918 2.193 0.102
193 HD1 TYR 24 HD1 TYR 24 -0.892 4.266 1.785
194 HD2 TYR 24 HD2 TYR 24 2.693 2.507 0.136
195 HE1 TYR 24 HE1 TYR 24 0.341 6.321 2.250
196 HE2 TYR 24 HE2 TYR 24 3.943 4.549 0.676
197 HH TYR 24 HH TYR 24 2.363 7.480 1.835
198 H PHE 25 H PHE 25 2.313 -0.154 1.006
199 HA PHE 25 HA PHE 25 3.316 -0.112 3.777
200 1HB PHE 25 HB1 PHE 25 3.227 -2.341 2.446
201 2HB PHE 25 HB2 PHE 25 4.560 -1.709 1.440
202 HD1 PHE 25 HD1 PHE 25 6.740 -1.036 2.751
203 HD2 PHE 25 HD2 PHE 25 3.644 -3.493 4.483
204 HE1 PHE 25 HE1 PHE 25 8.287 -1.875 4.498
205 HE2 PHE 25 HE2 PHE 25 5.041 -4.076 6.299
206 HZ PHE 25 HZ PHE 25 7.453 -3.313 6.311
207 H LYS 26 H LYS 26 4.881 1.281 4.289
208 HA LYS 26 HA LYS 26 5.844 3.167 2.291
209 1HB LYS 26 HB1 LYS 26 5.143 3.425 5.060
210 2HB LYS 26 HB2 LYS 26 6.840 3.924 4.880
211 1HG LYS 26 HG1 LYS 26 4.395 5.055 3.677
212 2HG LYS 26 HG2 LYS 26 5.749 5.668 4.775
213 1HD LYS 26 HD1 LYS 26 5.804 5.554 1.721
214 2HD LYS 26 HD2 LYS 26 5.797 6.907 2.866
215 1HE LYS 26 HE1 LYS 26 7.966 7.076 2.464
216 2HE LYS 26 HE2 LYS 26 8.112 5.808 3.745
217 1HZ LYS 26 HZ1 LYS 26 7.978 5.403 0.790
218 2HZ LYS 26 HZ2 LYS 26 9.364 5.301 1.767
219 3HZ LYS 26 HZ3 LYS 26 8.112 4.169 1.950
220 H TRP 27 H TRP 27 7.797 2.465 1.325
221 HA TRP 27 HA TRP 27 9.671 0.683 2.115
222 1HB TRP 27 HB1 TRP 27 9.546 1.395 -0.151
223 2HB TRP 27 HB2 TRP 27 9.544 3.114 0.224
224 HD1 TRP 27 HD1 TRP 27 11.716 4.146 -0.670
225 HE1 TRP 27 HE1 TRP 27 14.181 3.358 -0.925
226 HE3 TRP 27 HE3 TRP 27 11.118 -0.527 0.979
227 HZ2 TRP 27 HZ2 TRP 27 15.706 1.008 -0.295
228 HZ3 TRP 27 HZ3 TRP 27 13.064 -2.033 1.281
229 HH2 TRP 27 HH2 TRP 27 15.355 -1.288 0.604
230 H THR 28 H THR 28 9.839 4.227 2.710
231 HA THR 28 HA THR 28 12.330 3.904 4.161
232 HB THR 28 HB THR 28 12.373 6.350 4.562
233 HG1 THR 28 HG1 THR 28 11.036 7.465 2.994
234 1HG2 THR 28 HG21 THR 28 13.550 5.177 2.679
235 2HG2 THR 28 HG22 THR 28 12.084 5.372 1.654
236 3HG2 THR 28 HG23 THR 28 13.004 6.823 2.205
237 H ALA 29 H ALA 29 8.844 4.088 5.135
238 HA ALA 29 HA ALA 29 9.597 4.530 7.912
239 1HB ALA 29 HB1 ALA 29 7.327 5.164 6.981
240 2HB ALA 29 HB2 ALA 29 6.906 3.414 6.896
241 3HB ALA 29 HB3 ALA 29 7.268 4.183 8.475
242 H LYS 30 H LYS 30 8.892 1.659 5.900
243 HA LYS 30 HA LYS 30 9.344 -0.447 6.058
244 1HB LYS 30 HB1 LYS 30 11.046 0.218 8.448
245 2HB LYS 30 HB2 LYS 30 10.776 -1.481 7.975
246 1HG LYS 30 HG1 LYS 30 11.666 0.528 5.851
247 2HG LYS 30 HG2 LYS 30 12.810 -0.254 6.995
248 1HD LYS 30 HD1 LYS 30 12.088 -2.495 6.357
249 2HD LYS 30 HD2 LYS 30 10.898 -1.852 5.175
250 1HE LYS 30 HE1 LYS 30 12.719 -0.949 3.767
251 2HE LYS 30 HE2 LYS 30 13.955 -1.405 5.009
252 1HZ LYS 30 HZ1 LYS 30 12.183 -3.301 3.541
253 2HZ LYS 30 HZ2 LYS 30 13.829 -3.015 3.232
254 3HZ LYS 30 HZ3 LYS 30 13.349 -3.715 4.703
255 H LYS 31 H LYS 31 6.953 0.832 7.202
256 HA LYS 31 HA LYS 31 5.698 -1.507 8.326
257 1HB LYS 31 HB1 LYS 31 6.666 -0.038 10.218
258 2HB LYS 31 HB2 LYS 31 5.508 1.241 9.786
259 1HG LYS 31 HG1 LYS 31 3.641 -0.242 10.552
260 2HG LYS 31 HG2 LYS 31 4.765 -1.665 10.591
261 1HD LYS 31 HD1 LYS 31 6.074 -0.533 12.414
262 2HD LYS 31 HD2 LYS 31 4.881 0.809 12.410
263 1HE LYS 31 HE1 LYS 31 3.061 -0.787 13.083
264 2HE LYS 31 HE2 LYS 31 4.235 -2.165 13.029
265 1HZ LYS 31 HZ1 LYS 31 5.512 -1.078 14.749
266 2HZ LYS 31 HZ2 LYS 31 4.409 0.214 14.807
267 3HZ LYS 31 HZ3 LYS 31 3.910 -1.349 15.246
268 H CYS 32 H CYS 32 3.236 -1.041 8.337
269 HA CYS 32 HA CYS 32 2.445 0.047 5.813
270 1HB CYS 32 HB1 CYS 32 0.897 -1.300 8.133
271 2HB CYS 32 HB2 CYS 32 0.186 -1.025 6.488
272 H LEU 33 H LEU 33 0.961 1.622 5.308
273 HA LEU 33 HA LEU 33 0.163 3.496 7.456
274 1HB LEU 33 HB1 LEU 33 0.704 4.330 4.539
275 2HB LEU 33 HB2 LEU 33 0.292 5.367 5.936
276 HG LEU 33 HG LEU 33 2.993 4.068 5.256
277 1HD1 LEU 33 HD11 LEU 33 2.326 6.269 4.275
278 2HD1 LEU 33 HD12 LEU 33 2.062 6.943 5.934
279 3HD1 LEU 33 HD13 LEU 33 3.706 6.385 5.432
280 1HD2 LEU 33 HD21 LEU 33 2.141 5.427 7.941
281 2HD2 LEU 33 HD22 LEU 33 2.741 3.739 7.769
282 3HD2 LEU 33 HD23 LEU 33 3.831 5.113 7.423
283 HA PRO 34 HA PRO 34 -3.915 2.854 5.238
284 1HB PRO 34 HB1 PRO 34 -5.539 4.327 6.932
285 2HB PRO 34 HB2 PRO 34 -4.683 2.881 7.558
286 1HG PRO 34 HG1 PRO 34 -3.843 5.818 7.876
287 2HG PRO 34 HG2 PRO 34 -3.930 4.542 9.152
288 1HD PRO 34 HD1 PRO 34 -1.608 5.282 7.601
289 2HD PRO 34 HD2 PRO 34 -1.812 3.710 8.518
290 H PHE 35 H PHE 35 -5.057 3.845 3.765
291 HA PHE 35 HA PHE 35 -4.997 6.728 3.528
292 1HB PHE 35 HB1 PHE 35 -3.911 7.222 1.535
293 2HB PHE 35 HB2 PHE 35 -2.821 6.128 2.381
294 HD1 PHE 35 HD1 PHE 35 -3.056 3.564 1.679
295 HD2 PHE 35 HD2 PHE 35 -4.229 6.909 -0.866
296 HE1 PHE 35 HE1 PHE 35 -3.073 2.095 -0.345
297 HE2 PHE 35 HE2 PHE 35 -4.055 5.454 -2.789
298 HZ PHE 35 HZ PHE 35 -3.517 3.045 -2.562
299 H LEU 36 H LEU 36 -6.027 6.712 0.738
300 HA LEU 36 HA LEU 36 -8.566 5.419 0.953
301 1HB LEU 36 HB1 LEU 36 -7.949 8.433 0.676
302 2HB LEU 36 HB2 LEU 36 -9.529 7.733 0.164
303 HG LEU 36 HG LEU 36 -8.532 7.579 3.036
304 1HD1 LEU 36 HD11 LEU 36 -8.573 9.974 2.278
305 2HD1 LEU 36 HD12 LEU 36 -10.292 9.768 1.768
306 3HD1 LEU 36 HD13 LEU 36 -9.841 9.605 3.502
307 1HD2 LEU 36 HD21 LEU 36 -11.343 7.430 1.742
308 2HD2 LEU 36 HD22 LEU 36 -10.407 6.056 2.414
309 3HD2 LEU 36 HD23 LEU 36 -10.979 7.358 3.506
310 H PHE 37 H PHE 37 -9.369 5.284 -1.203
311 HA PHE 37 HA PHE 37 -7.591 5.893 -3.529
312 1HB PHE 37 HB1 PHE 37 -6.916 3.652 -2.950
313 2HB PHE 37 HB2 PHE 37 -8.658 3.217 -2.581
314 HD1 PHE 37 HD1 PHE 37 -7.774 4.764 -6.101
315 HD2 PHE 37 HD2 PHE 37 -8.368 1.194 -3.675
316 HE1 PHE 37 HE1 PHE 37 -8.483 3.528 -8.025
317 HE2 PHE 37 HE2 PHE 37 -8.872 -0.071 -5.741
318 HZ PHE 37 HZ PHE 37 -8.925 1.113 -7.928
319 H SER 38 H SER 38 -8.696 6.889 -5.166
320 HA SER 38 HA SER 38 -11.560 7.248 -4.916
321 1HB SER 38 HB1 SER 38 -11.370 8.972 -6.557
322 2HB SER 38 HB2 SER 38 -10.094 9.121 -5.319
323 HG SER 38 HG SER 38 -8.592 8.151 -6.769
324 H GLY 39 H GLY 39 -10.195 4.714 -6.334
325 1HA GLY 39 HA1 GLY 39 -11.180 3.007 -7.324
326 2HA GLY 39 HA2 GLY 39 -12.503 4.016 -7.847
327 H CYS 40 H CYS 40 -10.763 5.853 -9.384
328 HA CYS 40 HA CYS 40 -9.947 4.093 -11.623
329 1HB CYS 40 HB1 CYS 40 -11.203 5.815 -13.185
330 2HB CYS 40 HB2 CYS 40 -12.049 4.487 -12.368
331 H GLY 41 H GLY 41 -8.413 5.458 -9.599
332 1HA GLY 41 HA1 GLY 41 -6.597 6.790 -11.451
333 2HA GLY 41 HA2 GLY 41 -7.196 7.752 -10.049
334 H GLY 42 H GLY 42 -6.615 4.246 -10.096
335 1HA GLY 42 HA1 GLY 42 -4.436 4.501 -8.140
336 2HA GLY 42 HA2 GLY 42 -5.462 3.084 -8.507
337 H ASN 43 H ASN 43 -3.016 2.380 -8.283
338 HA ASN 43 HA ASN 43 -2.226 1.850 -11.079
339 1HB ASN 43 HB1 ASN 43 0.084 2.044 -10.873
340 2HB ASN 43 HB2 ASN 43 -0.672 3.564 -10.397
341 1HD2 ASN 43 HD21 ASN 43 1.846 3.605 -8.012
342 2HD2 ASN 43 HD22 ASN 43 1.454 4.071 -9.643
343 H ALA 44 H ALA 44 -0.536 0.481 -8.364
344 HA ALA 44 HA ALA 44 -1.934 -2.109 -8.724
345 1HB ALA 44 HB1 ALA 44 -0.094 -1.944 -10.450
346 2HB ALA 44 HB2 ALA 44 1.122 -1.743 -9.141
347 3HB ALA 44 HB3 ALA 44 0.178 -3.282 -9.298
348 H ASN 45 H ASN 45 -0.179 0.136 -6.651
349 HA ASN 45 HA ASN 45 0.351 -1.919 -4.635
350 1HB ASN 45 HB1 ASN 45 1.951 0.041 -5.284
351 2HB ASN 45 HB2 ASN 45 0.904 1.132 -4.374
352 1HD2 ASN 45 HD21 ASN 45 3.348 0.165 -1.971
353 2HD2 ASN 45 HD22 ASN 45 2.598 1.456 -2.846
354 H ARG 46 H ARG 46 -2.116 -2.315 -4.378
355 HA ARG 46 HA ARG 46 -2.936 -0.671 -2.091
356 1HB ARG 46 HB1 ARG 46 -5.342 -0.600 -2.667
357 2HB ARG 46 HB2 ARG 46 -4.265 0.533 -3.508
358 1HG ARG 46 HG1 ARG 46 -5.030 -2.088 -4.859
359 2HG ARG 46 HG2 ARG 46 -6.187 -0.718 -4.742
360 1HD ARG 46 HD1 ARG 46 -3.344 -0.405 -6.004
361 2HD ARG 46 HD2 ARG 46 -4.817 -0.818 -6.964
362 HE ARG 46 HE ARG 46 -5.872 1.255 -5.827
363 1HH1 ARG 46 HH11 ARG 46 -2.266 1.669 -6.318
364 2HH1 ARG 46 HH12 ARG 46 -2.496 3.321 -5.978
365 1HH2 ARG 46 HH21 ARG 46 -5.902 3.182 -5.647
366 2HH2 ARG 46 HH22 ARG 46 -4.486 4.183 -5.614
367 H PHE 47 H PHE 47 -3.539 -1.643 -0.494
368 HA PHE 47 HA PHE 47 -3.776 -4.589 -0.476
369 1HB PHE 47 HB1 PHE 47 -2.807 -2.494 1.561
370 2HB PHE 47 HB2 PHE 47 -2.769 -4.208 1.983
371 HD1 PHE 47 HD1 PHE 47 -1.639 -5.078 -1.055
372 HD2 PHE 47 HD2 PHE 47 -0.502 -2.137 1.916
373 HE1 PHE 47 HE1 PHE 47 0.559 -4.907 -2.032
374 HE2 PHE 47 HE2 PHE 47 1.767 -2.139 0.936
375 HZ PHE 47 HZ PHE 47 2.295 -3.428 -1.010
376 H GLN 48 H GLN 48 -5.297 -5.551 0.607
377 HA GLN 48 HA GLN 48 -7.839 -4.310 0.763
378 1HB GLN 48 HB1 GLN 48 -6.850 -7.126 1.542
379 2HB GLN 48 HB2 GLN 48 -8.580 -6.647 1.580
380 1HG GLN 48 HG1 GLN 48 -8.647 -6.267 -0.802
381 2HG GLN 48 HG2 GLN 48 -6.900 -6.530 -1.049
382 1HE2 GLN 48 HE21 GLN 48 -7.387 -10.187 -0.411
383 2HE2 GLN 48 HE22 GLN 48 -6.309 -8.959 0.213
384 H THR 49 H THR 49 -6.102 -5.922 3.514
385 HA THR 49 HA THR 49 -7.310 -4.031 5.415
386 HB THR 49 HB THR 49 -7.238 -5.892 7.118
387 HG1 THR 49 HG1 THR 49 -7.222 -7.994 6.281
388 1HG2 THR 49 HG21 THR 49 -9.342 -5.253 5.910
389 2HG2 THR 49 HG22 THR 49 -8.987 -6.479 4.643
390 3HG2 THR 49 HG23 THR 49 -9.301 -6.998 6.334
391 H ILE 50 H ILE 50 -5.890 -4.050 7.497
392 HA ILE 50 HA ILE 50 -3.331 -3.181 6.928
393 HB ILE 50 HB ILE 50 -4.745 -2.357 8.675
394 1HG1 ILE 50 HG11 ILE 50 -2.135 -3.372 9.935
395 2HG1 ILE 50 HG12 ILE 50 -2.251 -2.051 8.729
396 1HG2 ILE 50 HG21 ILE 50 -5.828 -4.500 9.425
397 2HG2 ILE 50 HG22 ILE 50 -4.287 -4.973 10.229
398 3HG2 ILE 50 HG23 ILE 50 -5.191 -3.523 10.778
399 1HD1 ILE 50 HD11 ILE 50 -3.790 -0.767 10.248
400 2HD1 ILE 50 HD12 ILE 50 -3.590 -2.039 11.516
401 3HD1 ILE 50 HD13 ILE 50 -2.173 -1.066 10.978
402 H GLY 51 H GLY 51 -4.230 -6.458 7.628
403 1HA GLY 51 HA1 GLY 51 -1.467 -7.274 8.126
404 2HA GLY 51 HA2 GLY 51 -2.908 -8.232 8.138
405 H GLU 52 H GLU 52 -3.497 -6.995 5.219
406 HA GLU 52 HA GLU 52 -2.141 -8.964 3.626
407 1HB GLU 52 HB1 GLU 52 -4.380 -8.191 2.924
408 2HB GLU 52 HB2 GLU 52 -3.833 -6.496 2.861
409 1HG GLU 52 HG1 GLU 52 -4.012 -7.473 0.490
410 2HG GLU 52 HG2 GLU 52 -2.389 -6.963 0.830
411 H CYS 53 H CYS 53 -1.645 -5.577 4.355
412 HA CYS 53 HA CYS 53 0.166 -4.654 2.558
413 1HB CYS 53 HB1 CYS 53 -0.986 -3.433 4.593
414 2HB CYS 53 HB2 CYS 53 0.037 -4.313 5.649
415 H ARG 54 H ARG 54 0.786 -6.479 5.337
416 HA ARG 54 HA ARG 54 3.635 -6.582 5.504
417 1HB ARG 54 HB1 ARG 54 1.233 -7.904 6.773
418 2HB ARG 54 HB2 ARG 54 2.855 -8.324 7.334
419 1HG ARG 54 HG1 ARG 54 3.260 -6.353 8.395
420 2HG ARG 54 HG2 ARG 54 2.318 -5.364 7.229
421 1HD ARG 54 HD1 ARG 54 1.007 -5.438 9.388
422 2HD ARG 54 HD2 ARG 54 0.217 -6.272 8.053
423 HE ARG 54 HE ARG 54 0.878 -8.429 8.898
424 1HH1 ARG 54 HH11 ARG 54 1.706 -5.890 11.249
425 2HH1 ARG 54 HH12 ARG 54 1.698 -7.027 12.553
426 1HH2 ARG 54 HH21 ARG 54 1.045 -9.762 10.550
427 2HH2 ARG 54 HH22 ARG 54 1.160 -9.172 12.189
428 H LYS 55 H LYS 55 1.308 -8.756 3.913
429 HA LYS 55 HA LYS 55 3.146 -11.020 3.782
430 1HB LYS 55 HB1 LYS 55 0.387 -10.594 2.473
431 2HB LYS 55 HB2 LYS 55 1.355 -12.103 2.401
432 1HG LYS 55 HG1 LYS 55 1.262 -11.607 5.173
433 2HG LYS 55 HG2 LYS 55 -0.388 -11.183 4.596
434 1HD LYS 55 HD1 LYS 55 -0.428 -13.448 3.406
435 2HD LYS 55 HD2 LYS 55 1.214 -13.768 4.078
436 1HE LYS 55 HE1 LYS 55 -0.411 -14.911 5.490
437 2HE LYS 55 HE2 LYS 55 0.278 -13.523 6.427
438 1HZ LYS 55 HZ1 LYS 55 -2.311 -13.544 4.959
439 2HZ LYS 55 HZ2 LYS 55 -2.098 -13.672 6.640
440 3HZ LYS 55 HZ3 LYS 55 -1.668 -12.239 5.835
441 H LYS 56 H LYS 56 2.828 -8.226 1.881
442 HA LYS 56 HA LYS 56 4.238 -9.388 -0.445
443 1HB LYS 56 HB1 LYS 56 2.266 -7.152 0.002
444 2HB LYS 56 HB2 LYS 56 3.574 -6.758 -1.139
445 1HG LYS 56 HG1 LYS 56 3.147 -8.753 -2.453
446 2HG LYS 56 HG2 LYS 56 1.812 -9.263 -1.462
447 1HD LYS 56 HD1 LYS 56 1.710 -6.501 -2.989
448 2HD LYS 56 HD2 LYS 56 1.409 -8.064 -3.743
449 1HE LYS 56 HE1 LYS 56 -0.352 -7.417 -1.276
450 2HE LYS 56 HE2 LYS 56 -0.764 -6.991 -2.973
451 1HZ LYS 56 HZ1 LYS 56 -0.518 -9.273 -3.594
452 2HZ LYS 56 HZ2 LYS 56 -0.104 -9.706 -2.004
453 3HZ LYS 56 HZ3 LYS 56 -1.648 -9.083 -2.340
454 H CYS 57 H CYS 57 4.614 -7.259 2.395
455 HA CYS 57 HA CYS 57 7.318 -6.418 1.407
456 1HB CYS 57 HB1 CYS 57 5.096 -4.932 2.833
457 2HB CYS 57 HB2 CYS 57 6.778 -4.286 2.827
458 H LEU 58 H LEU 58 6.233 -8.429 4.051
459 HA LEU 58 HA LEU 58 8.772 -7.573 5.380
460 1HB LEU 58 HB1 LEU 58 6.083 -7.744 6.726
461 2HB LEU 58 HB2 LEU 58 7.555 -8.152 7.670
462 HG LEU 58 HG LEU 58 7.117 -5.539 6.236
463 1HD1 LEU 58 HD11 LEU 58 5.630 -5.883 8.326
464 2HD1 LEU 58 HD12 LEU 58 7.105 -6.278 9.267
465 3HD1 LEU 58 HD13 LEU 58 6.898 -4.617 8.617
466 1HD2 LEU 58 HD21 LEU 58 9.423 -6.372 8.062
467 2HD2 LEU 58 HD22 LEU 58 9.515 -5.865 6.329
468 3HD2 LEU 58 HD23 LEU 58 9.031 -4.677 7.575
469 H GLY 59 H GLY 59 6.947 -10.154 4.144
470 1HA GLY 59 HA1 GLY 59 7.266 -12.319 3.974
471 2HA GLY 59 HA2 GLY 59 8.744 -12.208 5.011
472 H LYS 60 H LYS 60 5.142 -11.733 5.410
473 HA LYS 60 HA LYS 60 5.113 -13.666 7.566
474 1HB LYS 60 HB1 LYS 60 3.996 -11.899 9.058
475 2HB LYS 60 HB2 LYS 60 5.779 -11.800 8.889
476 1HG LYS 60 HG1 LYS 60 5.604 -9.891 7.290
477 2HG LYS 60 HG2 LYS 60 3.838 -10.074 7.257
478 1HD LYS 60 HD1 LYS 60 4.475 -8.191 8.662
479 2HD LYS 60 HD2 LYS 60 3.663 -9.451 9.660
480 1HE LYS 60 HE1 LYS 60 5.909 -10.134 10.583
481 2HE LYS 60 HE2 LYS 60 6.684 -8.898 9.500
482 1HZ LYS 60 HZ1 LYS 60 5.430 -7.196 10.604
483 2HZ LYS 60 HZ2 LYS 60 4.676 -8.334 11.613
484 3HZ LYS 60 HZ3 LYS 60 6.353 -8.082 11.722
No H/Q in entry = 484
Start of MODEL 15
1 H TRP 1 H TRP 1 13.239 -12.805 3.666
2 HA TRP 1 HA TRP 1 11.624 -12.273 1.486
3 1HB TRP 1 HB1 TRP 1 9.703 -11.826 3.126
4 2HB TRP 1 HB2 TRP 1 10.830 -10.918 4.133
5 HD1 TRP 1 HD1 TRP 1 8.779 -10.520 0.725
6 HE1 TRP 1 HE1 TRP 1 8.597 -8.095 0.236
7 HE3 TRP 1 HE3 TRP 1 11.696 -8.786 4.582
8 HZ2 TRP 1 HZ2 TRP 1 9.617 -5.668 1.291
9 HZ3 TRP 1 HZ3 TRP 1 11.910 -6.353 4.862
10 HH2 TRP 1 HH2 TRP 1 10.904 -4.799 3.221
11 H GLN 2 H GLN 2 12.306 -10.342 0.451
12 HA GLN 2 HA GLN 2 14.232 -8.464 1.431
13 1HB GLN 2 HB1 GLN 2 14.851 -10.430 -0.897
14 2HB GLN 2 HB2 GLN 2 15.607 -8.804 -0.772
15 1HG GLN 2 HG1 GLN 2 16.624 -9.408 1.440
16 2HG GLN 2 HG2 GLN 2 15.931 -11.065 1.305
17 1HE2 GLN 2 HE21 GLN 2 19.465 -11.232 0.108
18 2HE2 GLN 2 HE22 GLN 2 18.638 -10.891 1.616
19 HA PRO 3 HA PRO 3 10.834 -6.760 -0.470
20 1HB PRO 3 HB1 PRO 3 11.129 -4.245 -0.716
21 2HB PRO 3 HB2 PRO 3 11.624 -5.012 0.737
22 1HG PRO 3 HG1 PRO 3 13.773 -4.575 -1.358
23 2HG PRO 3 HG2 PRO 3 13.797 -3.961 0.341
24 1HD PRO 3 HD1 PRO 3 14.867 -6.308 -0.464
25 2HD PRO 3 HD2 PRO 3 14.014 -6.226 1.162
26 HA PRO 4 HA PRO 4 11.024 -7.148 -5.029
27 1HB PRO 4 HB1 PRO 4 8.054 -7.832 -4.584
28 2HB PRO 4 HB2 PRO 4 9.317 -8.707 -5.534
29 1HG PRO 4 HG1 PRO 4 8.621 -9.676 -3.059
30 2HG PRO 4 HG2 PRO 4 10.338 -9.451 -3.451
31 1HD PRO 4 HD1 PRO 4 8.775 -7.196 -1.838
32 2HD PRO 4 HD2 PRO 4 10.104 -8.303 -1.478
33 H TRP 5 H TRP 5 7.706 -6.279 -5.312
34 HA TRP 5 HA TRP 5 8.392 -3.722 -6.527
35 1HB TRP 5 HB1 TRP 5 6.085 -3.580 -7.527
36 2HB TRP 5 HB2 TRP 5 7.226 -4.798 -8.076
37 HD1 TRP 5 HD1 TRP 5 6.634 -7.310 -7.887
38 HE1 TRP 5 HE1 TRP 5 4.275 -8.464 -7.741
39 HE3 TRP 5 HE3 TRP 5 3.559 -3.720 -5.874
40 HZ2 TRP 5 HZ2 TRP 5 1.580 -7.751 -7.750
41 HZ3 TRP 5 HZ3 TRP 5 1.331 -3.913 -5.892
42 HH2 TRP 5 HH2 TRP 5 0.231 -5.902 -6.725
43 H TYR 6 H TYR 6 5.647 -4.662 -4.625
44 HA TYR 6 HA TYR 6 4.183 -2.595 -4.058
45 1HB TYR 6 HB1 TYR 6 4.542 -4.445 -1.690
46 2HB TYR 6 HB2 TYR 6 3.082 -4.074 -2.514
47 HD1 TYR 6 HD1 TYR 6 6.183 -5.998 -2.385
48 HD2 TYR 6 HD2 TYR 6 2.411 -5.599 -4.306
49 HE1 TYR 6 HE1 TYR 6 6.275 -8.441 -3.366
50 HE2 TYR 6 HE2 TYR 6 2.543 -7.906 -5.192
51 HH TYR 6 HH TYR 6 3.737 -9.840 -5.229
52 H CYS 7 H CYS 7 6.752 -3.299 -1.727
53 HA CYS 7 HA CYS 7 6.322 -1.395 0.000
54 1HB CYS 7 HB1 CYS 7 9.217 -2.221 -0.526
55 2HB CYS 7 HB2 CYS 7 8.300 -2.105 1.006
56 H LYS 8 H LYS 8 8.165 -1.161 -2.982
57 HA LYS 8 HA LYS 8 9.082 1.589 -2.536
58 1HB LYS 8 HB1 LYS 8 9.719 -0.671 -4.554
59 2HB LYS 8 HB2 LYS 8 10.607 0.890 -4.503
60 1HG LYS 8 HG1 LYS 8 11.853 0.252 -2.648
61 2HG LYS 8 HG2 LYS 8 10.556 -0.722 -1.923
62 1HD LYS 8 HD1 LYS 8 12.263 -2.258 -2.560
63 2HD LYS 8 HD2 LYS 8 10.830 -2.519 -3.610
64 1HE LYS 8 HE1 LYS 8 12.932 -2.722 -4.890
65 2HE LYS 8 HE2 LYS 8 12.001 -1.299 -5.496
66 1HZ LYS 8 HZ1 LYS 8 14.266 -1.227 -3.569
67 2HZ LYS 8 HZ2 LYS 8 14.313 -0.800 -5.212
68 3HZ LYS 8 HZ3 LYS 8 13.385 0.115 -4.123
69 H GLU 9 H GLU 9 6.147 0.352 -3.591
70 HA GLU 9 HA GLU 9 6.140 1.160 -6.359
71 1HB GLU 9 HB1 GLU 9 5.268 -0.946 -5.570
72 2HB GLU 9 HB2 GLU 9 3.967 -0.066 -4.771
73 1HG GLU 9 HG1 GLU 9 3.079 -0.724 -6.819
74 2HG GLU 9 HG2 GLU 9 3.449 0.943 -7.260
75 HA PRO 10 HA PRO 10 4.846 5.177 -5.222
76 1HB PRO 10 HB1 PRO 10 3.568 5.443 -7.999
77 2HB PRO 10 HB2 PRO 10 4.694 6.582 -7.150
78 1HG PRO 10 HG1 PRO 10 5.656 4.882 -9.021
79 2HG PRO 10 HG2 PRO 10 6.543 5.005 -7.449
80 1HD PRO 10 HD1 PRO 10 4.418 2.912 -8.211
81 2HD PRO 10 HD2 PRO 10 6.100 2.633 -7.595
82 H VAL 11 H VAL 11 3.280 5.859 -3.778
83 HA VAL 11 HA VAL 11 0.578 5.008 -3.886
84 HB VAL 11 HB VAL 11 1.629 5.152 -1.811
85 1HG1 VAL 11 HG11 VAL 11 3.218 7.087 -2.148
86 2HG1 VAL 11 HG12 VAL 11 1.822 8.226 -2.246
87 3HG1 VAL 11 HG13 VAL 11 2.180 7.357 -0.712
88 1HG2 VAL 11 HG21 VAL 11 -0.879 5.529 -2.254
89 2HG2 VAL 11 HG22 VAL 11 -0.289 6.113 -0.646
90 3HG2 VAL 11 HG23 VAL 11 -0.624 7.272 -1.999
91 H ARG 12 H ARG 12 -1.229 5.974 -4.484
92 HA ARG 12 HA ARG 12 -1.167 8.520 -6.036
93 1HB ARG 12 HB1 ARG 12 -1.603 5.718 -6.887
94 2HB ARG 12 HB2 ARG 12 -2.469 7.051 -7.676
95 1HG ARG 12 HG1 ARG 12 0.556 7.376 -7.297
96 2HG ARG 12 HG2 ARG 12 -0.125 6.120 -8.308
97 1HD ARG 12 HD1 ARG 12 0.291 8.019 -9.789
98 2HD ARG 12 HD2 ARG 12 -1.490 7.844 -9.548
99 HE ARG 12 HE ARG 12 0.244 9.753 -7.851
100 1HH1 ARG 12 HH11 ARG 12 -2.789 9.128 -9.507
101 2HH1 ARG 12 HH12 ARG 12 -3.209 10.831 -9.487
102 1HH2 ARG 12 HH21 ARG 12 -0.446 11.880 -7.812
103 2HH2 ARG 12 HH22 ARG 12 -2.086 12.246 -8.246
104 H ILE 13 H ILE 13 -3.376 9.703 -5.184
105 HA ILE 13 HA ILE 13 -5.457 7.872 -4.294
106 HB ILE 13 HB ILE 13 -4.768 9.926 -3.018
107 1HG1 ILE 13 HG11 ILE 13 -7.714 9.188 -3.578
108 2HG1 ILE 13 HG12 ILE 13 -6.511 8.260 -2.637
109 1HG2 ILE 13 HG21 ILE 13 -5.166 11.656 -4.830
110 2HG2 ILE 13 HG22 ILE 13 -6.940 11.205 -4.768
111 3HG2 ILE 13 HG23 ILE 13 -6.110 11.903 -3.328
112 1HD1 ILE 13 HD11 ILE 13 -7.540 11.074 -1.841
113 2HD1 ILE 13 HD12 ILE 13 -8.158 9.517 -1.166
114 3HD1 ILE 13 HD13 ILE 13 -6.440 10.007 -0.888
115 H GLY 14 H GLY 14 -4.925 10.001 -7.007
116 1HA GLY 14 HA1 GLY 14 -5.883 9.582 -9.113
117 2HA GLY 14 HA2 GLY 14 -7.183 8.632 -8.368
118 H SER 15 H SER 15 -8.768 10.157 -6.963
119 HA SER 15 HA SER 15 -10.326 11.734 -7.003
120 1HB SER 15 HB1 SER 15 -8.861 13.404 -9.142
121 2HB SER 15 HB2 SER 15 -10.301 13.892 -8.184
122 HG SER 15 HG SER 15 -7.643 13.528 -7.395
123 H CYS 16 H CYS 16 -11.410 9.772 -7.891
124 HA CYS 16 HA CYS 16 -12.409 10.290 -10.653
125 1HB CYS 16 HB1 CYS 16 -10.604 8.494 -10.302
126 2HB CYS 16 HB2 CYS 16 -11.778 7.415 -9.647
127 H LYS 17 H LYS 17 -13.050 7.990 -8.100
128 HA LYS 17 HA LYS 17 -15.950 8.296 -8.513
129 1HB LYS 17 HB1 LYS 17 -14.382 6.114 -6.991
130 2HB LYS 17 HB2 LYS 17 -16.140 6.092 -7.308
131 1HG LYS 17 HG1 LYS 17 -13.965 6.107 -9.499
132 2HG LYS 17 HG2 LYS 17 -14.563 4.630 -8.718
133 1HD LYS 17 HD1 LYS 17 -16.294 6.683 -10.282
134 2HD LYS 17 HD2 LYS 17 -15.621 5.160 -10.951
135 1HE LYS 17 HE1 LYS 17 -17.747 5.333 -8.697
136 2HE LYS 17 HE2 LYS 17 -18.022 4.872 -10.420
137 1HZ LYS 17 HZ1 LYS 17 -16.560 2.995 -10.107
138 2HZ LYS 17 HZ2 LYS 17 -16.284 3.429 -8.487
139 3HZ LYS 17 HZ3 LYS 17 -17.841 2.969 -8.990
140 H LYS 18 H LYS 18 -14.134 7.453 -5.601
141 HA LYS 18 HA LYS 18 -15.367 9.528 -3.951
142 1HB LYS 18 HB1 LYS 18 -17.083 7.719 -3.966
143 2HB LYS 18 HB2 LYS 18 -15.853 6.477 -3.639
144 1HG LYS 18 HG1 LYS 18 -17.392 6.969 -1.725
145 2HG LYS 18 HG2 LYS 18 -15.698 7.126 -1.307
146 1HD LYS 18 HD1 LYS 18 -16.061 9.750 -1.767
147 2HD LYS 18 HD2 LYS 18 -17.807 9.341 -1.847
148 1HE LYS 18 HE1 LYS 18 -17.231 10.200 0.394
149 2HE LYS 18 HE2 LYS 18 -17.600 8.431 0.558
150 1HZ LYS 18 HZ1 LYS 18 -14.901 9.672 0.320
151 2HZ LYS 18 HZ2 LYS 18 -15.616 9.067 1.738
152 3HZ LYS 18 HZ3 LYS 18 -15.223 8.011 0.466
153 H GLN 19 H GLN 19 -14.361 7.979 -1.589
154 HA GLN 19 HA GLN 19 -11.575 7.392 -2.239
155 1HB GLN 19 HB1 GLN 19 -12.286 9.302 0.149
156 2HB GLN 19 HB2 GLN 19 -10.758 8.464 -0.220
157 1HG GLN 19 HG1 GLN 19 -10.395 10.634 -0.730
158 2HG GLN 19 HG2 GLN 19 -10.300 9.623 -2.212
159 1HE2 GLN 19 HE21 GLN 19 -12.491 11.978 -3.784
160 2HE2 GLN 19 HE22 GLN 19 -11.203 10.810 -3.970
161 H PHE 20 H PHE 20 -11.539 5.219 -1.790
162 HA PHE 20 HA PHE 20 -13.291 4.149 0.366
163 1HB PHE 20 HB1 PHE 20 -11.802 2.666 -1.885
164 2HB PHE 20 HB2 PHE 20 -13.086 1.976 -0.824
165 HD1 PHE 20 HD1 PHE 20 -15.369 3.632 -0.953
166 HD2 PHE 20 HD2 PHE 20 -12.501 2.941 -4.123
167 HE1 PHE 20 HE1 PHE 20 -17.090 4.110 -2.665
168 HE2 PHE 20 HE2 PHE 20 -14.212 3.404 -5.777
169 HZ PHE 20 HZ PHE 20 -16.527 3.985 -5.074
170 H SER 21 H SER 21 -12.195 2.962 2.159
171 HA SER 21 HA SER 21 -9.550 3.684 2.703
172 1HB SER 21 HB1 SER 21 -11.455 3.181 4.350
173 2HB SER 21 HB2 SER 21 -10.961 1.460 4.247
174 HG SER 21 HG SER 21 -9.884 2.585 5.948
175 H SER 22 H SER 22 -7.616 3.000 2.319
176 HA SER 22 HA SER 22 -7.001 0.257 1.465
177 1HB SER 22 HB1 SER 22 -6.660 1.519 -0.580
178 2HB SER 22 HB2 SER 22 -6.322 3.015 0.330
179 HG SER 22 HG SER 22 -4.335 2.098 0.924
180 H PHE 23 H PHE 23 -4.493 0.260 1.566
181 HA PHE 23 HA PHE 23 -3.142 1.529 3.775
182 1HB PHE 23 HB1 PHE 23 -3.396 -1.626 3.811
183 2HB PHE 23 HB2 PHE 23 -2.026 -0.732 4.442
184 HD1 PHE 23 HD1 PHE 23 -5.737 -1.041 4.780
185 HD2 PHE 23 HD2 PHE 23 -2.082 0.353 6.563
186 HE1 PHE 23 HE1 PHE 23 -6.964 -0.488 6.856
187 HE2 PHE 23 HE2 PHE 23 -3.275 0.885 8.630
188 HZ PHE 23 HZ PHE 23 -5.743 0.486 8.790
189 H TYR 24 H TYR 24 -0.920 1.838 3.184
190 HA TYR 24 HA TYR 24 0.003 0.366 0.781
191 1HB TYR 24 HB1 TYR 24 0.952 2.172 -0.327
192 2HB TYR 24 HB2 TYR 24 -0.644 2.760 0.152
193 HD1 TYR 24 HD1 TYR 24 -0.829 4.553 1.922
194 HD2 TYR 24 HD2 TYR 24 3.008 3.128 0.611
195 HE1 TYR 24 HE1 TYR 24 0.221 6.583 2.833
196 HE2 TYR 24 HE2 TYR 24 4.096 5.136 1.674
197 HH TYR 24 HH TYR 24 2.164 7.720 3.150
198 H PHE 25 H PHE 25 2.345 -0.238 0.845
199 HA PHE 25 HA PHE 25 3.369 -0.135 3.633
200 1HB PHE 25 HB1 PHE 25 3.175 -2.388 2.390
201 2HB PHE 25 HB2 PHE 25 4.598 -1.907 1.456
202 HD1 PHE 25 HD1 PHE 25 6.769 -1.191 2.860
203 HD2 PHE 25 HD2 PHE 25 3.461 -3.490 4.404
204 HE1 PHE 25 HE1 PHE 25 8.178 -2.194 4.647
205 HE2 PHE 25 HE2 PHE 25 4.736 -4.190 6.273
206 HZ PHE 25 HZ PHE 25 7.191 -3.553 6.407
207 H LYS 26 H LYS 26 4.902 1.319 4.149
208 HA LYS 26 HA LYS 26 5.827 3.149 2.108
209 1HB LYS 26 HB1 LYS 26 4.474 3.966 3.831
210 2HB LYS 26 HB2 LYS 26 5.393 3.086 5.083
211 1HG LYS 26 HG1 LYS 26 5.625 5.190 5.203
212 2HG LYS 26 HG2 LYS 26 7.314 4.637 4.826
213 1HD LYS 26 HD1 LYS 26 5.340 6.292 3.150
214 2HD LYS 26 HD2 LYS 26 6.824 6.893 3.979
215 1HE LYS 26 HE1 LYS 26 8.303 5.738 2.446
216 2HE LYS 26 HE2 LYS 26 6.885 4.831 1.780
217 1HZ LYS 26 HZ1 LYS 26 6.003 6.892 0.942
218 2HZ LYS 26 HZ2 LYS 26 7.311 7.766 1.582
219 3HZ LYS 26 HZ3 LYS 26 7.571 6.634 0.344
220 H TRP 27 H TRP 27 7.809 2.588 1.296
221 HA TRP 27 HA TRP 27 9.611 0.781 2.154
222 1HB TRP 27 HB1 TRP 27 9.525 1.447 -0.094
223 2HB TRP 27 HB2 TRP 27 9.602 3.171 0.212
224 HD1 TRP 27 HD1 TRP 27 11.860 4.086 -0.617
225 HE1 TRP 27 HE1 TRP 27 14.288 3.153 -0.832
226 HE3 TRP 27 HE3 TRP 27 10.989 -0.514 1.061
227 HZ2 TRP 27 HZ2 TRP 27 15.683 0.774 -0.058
228 HZ3 TRP 27 HZ3 TRP 27 12.872 -2.098 1.543
229 HH2 TRP 27 HH2 TRP 27 15.211 -1.459 0.924
230 H THR 28 H THR 28 9.867 4.310 2.779
231 HA THR 28 HA THR 28 12.356 3.930 4.183
232 HB THR 28 HB THR 28 12.201 6.479 4.582
233 HG1 THR 28 HG1 THR 28 10.834 7.465 3.045
234 1HG2 THR 28 HG21 THR 28 12.214 5.284 1.734
235 2HG2 THR 28 HG22 THR 28 12.920 6.870 2.221
236 3HG2 THR 28 HG23 THR 28 13.616 5.339 2.857
237 H ALA 29 H ALA 29 9.170 3.463 5.154
238 HA ALA 29 HA ALA 29 9.665 4.218 7.980
239 1HB ALA 29 HB1 ALA 29 7.104 3.161 6.593
240 2HB ALA 29 HB2 ALA 29 7.241 3.652 8.336
241 3HB ALA 29 HB3 ALA 29 7.473 4.858 7.033
242 H LYS 30 H LYS 30 8.814 1.402 5.953
243 HA LYS 30 HA LYS 30 9.245 -0.693 6.054
244 1HB LYS 30 HB1 LYS 30 11.453 -0.092 7.269
245 2HB LYS 30 HB2 LYS 30 10.663 -0.737 8.723
246 1HG LYS 30 HG1 LYS 30 11.939 -2.541 7.802
247 2HG LYS 30 HG2 LYS 30 10.255 -2.932 7.385
248 1HD LYS 30 HD1 LYS 30 11.734 -3.436 5.500
249 2HD LYS 30 HD2 LYS 30 10.678 -2.068 5.040
250 1HE LYS 30 HE1 LYS 30 12.976 -1.726 4.191
251 2HE LYS 30 HE2 LYS 30 12.613 -0.459 5.422
252 1HZ LYS 30 HZ1 LYS 30 14.158 -2.971 5.860
253 2HZ LYS 30 HZ2 LYS 30 14.791 -1.402 5.704
254 3HZ LYS 30 HZ3 LYS 30 13.818 -1.796 7.039
255 H LYS 31 H LYS 31 6.892 0.594 7.080
256 HA LYS 31 HA LYS 31 5.525 -1.628 8.263
257 1HB LYS 31 HB1 LYS 31 6.435 -0.189 10.130
258 2HB LYS 31 HB2 LYS 31 5.487 1.202 9.561
259 1HG LYS 31 HG1 LYS 31 4.117 -1.472 10.231
260 2HG LYS 31 HG2 LYS 31 4.784 -0.485 11.555
261 1HD LYS 31 HD1 LYS 31 3.432 1.404 11.160
262 2HD LYS 31 HD2 LYS 31 2.852 0.815 9.577
263 1HE LYS 31 HE1 LYS 31 2.149 -0.462 12.304
264 2HE LYS 31 HE2 LYS 31 1.074 0.604 11.302
265 1HZ LYS 31 HZ1 LYS 31 1.188 -1.018 9.543
266 2HZ LYS 31 HZ2 LYS 31 2.186 -2.024 10.479
267 3HZ LYS 31 HZ3 LYS 31 0.593 -1.706 10.978
268 H CYS 32 H CYS 32 3.147 -1.201 8.088
269 HA CYS 32 HA CYS 32 2.334 -0.238 5.508
270 1HB CYS 32 HB1 CYS 32 0.955 -1.595 7.956
271 2HB CYS 32 HB2 CYS 32 0.005 -1.206 6.481
272 H LEU 33 H LEU 33 1.516 1.925 5.146
273 HA LEU 33 HA LEU 33 0.323 3.323 7.500
274 1HB LEU 33 HB1 LEU 33 1.249 4.606 4.875
275 2HB LEU 33 HB2 LEU 33 0.688 5.429 6.365
276 HG LEU 33 HG LEU 33 3.300 3.895 5.937
277 1HD1 LEU 33 HD11 LEU 33 2.552 6.837 6.546
278 2HD1 LEU 33 HD12 LEU 33 4.225 6.182 6.567
279 3HD1 LEU 33 HD13 LEU 33 3.278 6.165 5.036
280 1HD2 LEU 33 HD21 LEU 33 2.493 3.387 8.288
281 2HD2 LEU 33 HD22 LEU 33 3.907 4.495 8.286
282 3HD2 LEU 33 HD23 LEU 33 2.261 5.148 8.563
283 HA PRO 34 HA PRO 34 -3.506 3.134 4.917
284 1HB PRO 34 HB1 PRO 34 -5.285 4.446 6.568
285 2HB PRO 34 HB2 PRO 34 -4.480 2.946 7.122
286 1HG PRO 34 HG1 PRO 34 -3.680 5.821 7.829
287 2HG PRO 34 HG2 PRO 34 -3.882 4.421 8.957
288 1HD PRO 34 HD1 PRO 34 -1.422 5.300 7.706
289 2HD PRO 34 HD2 PRO 34 -1.705 3.640 8.426
290 H PHE 35 H PHE 35 -4.426 4.165 3.427
291 HA PHE 35 HA PHE 35 -4.757 6.988 3.386
292 1HB PHE 35 HB1 PHE 35 -3.440 7.763 1.726
293 2HB PHE 35 HB2 PHE 35 -2.362 6.451 2.255
294 HD1 PHE 35 HD1 PHE 35 -2.811 4.064 0.941
295 HD2 PHE 35 HD2 PHE 35 -3.867 8.016 -0.585
296 HE1 PHE 35 HE1 PHE 35 -2.959 3.198 -1.378
297 HE2 PHE 35 HE2 PHE 35 -3.988 7.054 -2.817
298 HZ PHE 35 HZ PHE 35 -3.659 4.649 -3.169
299 H LEU 36 H LEU 36 -6.328 7.275 1.250
300 HA LEU 36 HA LEU 36 -8.066 4.910 1.071
301 1HB LEU 36 HB1 LEU 36 -8.633 7.955 0.965
302 2HB LEU 36 HB2 LEU 36 -9.792 6.683 0.437
303 HG LEU 36 HG LEU 36 -9.650 5.673 2.676
304 1HD1 LEU 36 HD11 LEU 36 -8.341 8.291 3.485
305 2HD1 LEU 36 HD12 LEU 36 -9.314 7.249 4.605
306 3HD1 LEU 36 HD13 LEU 36 -7.853 6.565 3.840
307 1HD2 LEU 36 HD21 LEU 36 -11.627 6.935 1.868
308 2HD2 LEU 36 HD22 LEU 36 -11.373 7.270 3.608
309 3HD2 LEU 36 HD23 LEU 36 -10.881 8.494 2.378
310 H PHE 37 H PHE 37 -8.951 4.581 -1.029
311 HA PHE 37 HA PHE 37 -7.343 5.639 -3.340
312 1HB PHE 37 HB1 PHE 37 -6.796 3.314 -2.929
313 2HB PHE 37 HB2 PHE 37 -8.545 2.928 -2.582
314 HD1 PHE 37 HD1 PHE 37 -6.924 4.535 -5.790
315 HD2 PHE 37 HD2 PHE 37 -9.265 1.336 -4.014
316 HE1 PHE 37 HE1 PHE 37 -7.220 3.470 -7.968
317 HE2 PHE 37 HE2 PHE 37 -9.630 0.425 -6.290
318 HZ PHE 37 HZ PHE 37 -8.370 1.331 -8.192
319 H SER 38 H SER 38 -8.400 6.529 -5.206
320 HA SER 38 HA SER 38 -11.311 6.788 -4.989
321 1HB SER 38 HB1 SER 38 -9.653 8.701 -5.366
322 2HB SER 38 HB2 SER 38 -9.622 8.204 -7.092
323 HG SER 38 HG SER 38 -11.972 8.831 -5.529
324 H GLY 39 H GLY 39 -9.457 4.401 -6.652
325 1HA GLY 39 HA1 GLY 39 -10.683 2.702 -7.601
326 2HA GLY 39 HA2 GLY 39 -11.858 3.759 -8.223
327 H CYS 40 H CYS 40 -10.230 5.613 -9.529
328 HA CYS 40 HA CYS 40 -8.673 4.212 -11.574
329 1HB CYS 40 HB1 CYS 40 -9.893 6.143 -13.165
330 2HB CYS 40 HB2 CYS 40 -10.355 4.434 -13.036
331 H GLY 41 H GLY 41 -6.854 5.441 -12.140
332 1HA GLY 41 HA1 GLY 41 -5.527 7.491 -12.051
333 2HA GLY 41 HA2 GLY 41 -6.489 8.028 -10.662
334 H GLY 42 H GLY 42 -6.127 5.002 -9.797
335 1HA GLY 42 HA1 GLY 42 -3.612 5.321 -8.300
336 2HA GLY 42 HA2 GLY 42 -5.011 4.272 -7.933
337 H ASN 43 H ASN 43 -2.644 2.987 -7.707
338 HA ASN 43 HA ASN 43 -2.517 1.356 -10.194
339 1HB ASN 43 HB1 ASN 43 -0.051 0.912 -9.741
340 2HB ASN 43 HB2 ASN 43 -0.527 2.531 -10.308
341 1HD2 ASN 43 HD21 ASN 43 1.191 4.042 -7.668
342 2HD2 ASN 43 HD22 ASN 43 0.737 4.053 -9.368
343 H ALA 44 H ALA 44 -0.682 0.377 -7.370
344 HA ALA 44 HA ALA 44 -2.643 -1.698 -6.699
345 1HB ALA 44 HB1 ALA 44 -1.911 -2.542 -8.878
346 2HB ALA 44 HB2 ALA 44 -0.199 -2.536 -8.368
347 3HB ALA 44 HB3 ALA 44 -1.406 -3.670 -7.606
348 H ASN 45 H ASN 45 -0.617 0.303 -5.312
349 HA ASN 45 HA ASN 45 0.429 -1.693 -3.332
350 1HB ASN 45 HB1 ASN 45 2.155 -0.246 -4.156
351 2HB ASN 45 HB2 ASN 45 1.235 1.247 -3.822
352 1HD2 ASN 45 HD21 ASN 45 3.612 1.341 -1.150
353 2HD2 ASN 45 HD22 ASN 45 3.195 1.903 -2.756
354 H ARG 46 H ARG 46 -2.184 -1.601 -3.348
355 HA ARG 46 HA ARG 46 -3.196 0.112 -1.209
356 1HB ARG 46 HB1 ARG 46 -5.235 0.706 -2.603
357 2HB ARG 46 HB2 ARG 46 -3.678 1.407 -3.083
358 1HG ARG 46 HG1 ARG 46 -3.582 -0.766 -4.758
359 2HG ARG 46 HG2 ARG 46 -5.320 -0.843 -4.395
360 1HD ARG 46 HD1 ARG 46 -4.788 0.360 -6.546
361 2HD ARG 46 HD2 ARG 46 -5.597 1.420 -5.328
362 HE ARG 46 HE ARG 46 -2.533 1.266 -5.513
363 1HH1 ARG 46 HH11 ARG 46 -5.318 3.574 -5.415
364 2HH1 ARG 46 HH12 ARG 46 -4.177 4.894 -5.367
365 1HH2 ARG 46 HH21 ARG 46 -1.366 3.063 -5.692
366 2HH2 ARG 46 HH22 ARG 46 -2.179 4.610 -5.583
367 H PHE 47 H PHE 47 -3.543 -1.220 0.135
368 HA PHE 47 HA PHE 47 -4.507 -3.947 -0.383
369 1HB PHE 47 HB1 PHE 47 -3.065 -2.683 2.069
370 2HB PHE 47 HB2 PHE 47 -3.244 -4.443 1.714
371 HD1 PHE 47 HD1 PHE 47 -2.411 -4.787 -1.112
372 HD2 PHE 47 HD2 PHE 47 -0.831 -1.981 1.756
373 HE1 PHE 47 HE1 PHE 47 -0.246 -4.658 -2.336
374 HE2 PHE 47 HE2 PHE 47 1.303 -2.037 0.642
375 HZ PHE 47 HZ PHE 47 1.592 -3.265 -1.443
376 H GLN 48 H GLN 48 -6.357 -4.643 0.408
377 HA GLN 48 HA GLN 48 -8.510 -3.097 1.070
378 1HB GLN 48 HB1 GLN 48 -7.969 -6.089 1.610
379 2HB GLN 48 HB2 GLN 48 -9.612 -5.361 1.571
380 1HG GLN 48 HG1 GLN 48 -9.552 -4.952 -0.788
381 2HG GLN 48 HG2 GLN 48 -7.850 -5.425 -1.026
382 1HE2 GLN 48 HE21 GLN 48 -8.820 -8.967 -0.355
383 2HE2 GLN 48 HE22 GLN 48 -7.492 -7.918 0.101
384 H THR 49 H THR 49 -6.397 -4.806 3.344
385 HA THR 49 HA THR 49 -7.491 -3.364 5.619
386 HB THR 49 HB THR 49 -7.384 -5.309 7.123
387 HG1 THR 49 HG1 THR 49 -7.347 -7.371 6.194
388 1HG2 THR 49 HG21 THR 49 -9.549 -4.739 6.001
389 2HG2 THR 49 HG22 THR 49 -9.190 -5.916 4.698
390 3HG2 THR 49 HG23 THR 49 -9.415 -6.487 6.391
391 H ILE 50 H ILE 50 -5.911 -3.774 7.526
392 HA ILE 50 HA ILE 50 -3.302 -2.977 6.855
393 HB ILE 50 HB ILE 50 -4.664 -2.122 8.705
394 1HG1 ILE 50 HG11 ILE 50 -2.063 -3.326 9.806
395 2HG1 ILE 50 HG12 ILE 50 -2.170 -1.907 8.714
396 1HG2 ILE 50 HG21 ILE 50 -5.787 -4.300 9.387
397 2HG2 ILE 50 HG22 ILE 50 -4.233 -4.814 10.135
398 3HG2 ILE 50 HG23 ILE 50 -5.101 -3.379 10.757
399 1HD1 ILE 50 HD11 ILE 50 -3.588 -0.700 10.404
400 2HD1 ILE 50 HD12 ILE 50 -3.406 -2.081 11.552
401 3HD1 ILE 50 HD13 ILE 50 -1.965 -1.123 11.048
402 H GLY 51 H GLY 51 -4.464 -6.083 7.012
403 1HA GLY 51 HA1 GLY 51 -1.786 -7.167 7.610
404 2HA GLY 51 HA2 GLY 51 -3.303 -8.012 7.576
405 H GLU 52 H GLU 52 -3.917 -6.803 4.769
406 HA GLU 52 HA GLU 52 -2.594 -8.711 3.080
407 1HB GLU 52 HB1 GLU 52 -4.898 -7.951 2.631
408 2HB GLU 52 HB2 GLU 52 -4.361 -6.253 2.569
409 1HG GLU 52 HG1 GLU 52 -4.912 -6.914 0.339
410 2HG GLU 52 HG2 GLU 52 -3.146 -6.701 0.343
411 H CYS 53 H CYS 53 -1.818 -5.557 4.090
412 HA CYS 53 HA CYS 53 0.098 -4.756 2.148
413 1HB CYS 53 HB1 CYS 53 -1.236 -3.170 3.386
414 2HB CYS 53 HB2 CYS 53 -0.903 -3.789 4.951
415 H ARG 54 H ARG 54 0.205 -6.911 4.859
416 HA ARG 54 HA ARG 54 3.030 -6.726 5.443
417 1HB ARG 54 HB1 ARG 54 0.957 -8.648 6.556
418 2HB ARG 54 HB2 ARG 54 2.546 -8.204 7.257
419 1HG ARG 54 HG1 ARG 54 1.757 -5.828 7.493
420 2HG ARG 54 HG2 ARG 54 0.130 -6.327 6.980
421 1HD ARG 54 HD1 ARG 54 1.710 -7.210 9.397
422 2HD ARG 54 HD2 ARG 54 0.145 -6.294 9.397
423 HE ARG 54 HE ARG 54 -0.458 -8.720 8.088
424 1HH1 ARG 54 HH11 ARG 54 0.841 -8.019 11.254
425 2HH1 ARG 54 HH12 ARG 54 0.143 -9.451 11.957
426 1HH2 ARG 54 HH21 ARG 54 -1.205 -10.592 9.037
427 2HH2 ARG 54 HH22 ARG 54 -1.096 -10.793 10.751
428 H LYS 55 H LYS 55 1.012 -9.042 3.564
429 HA LYS 55 HA LYS 55 2.940 -11.170 3.560
430 1HB LYS 55 HB1 LYS 55 0.415 -11.330 3.477
431 2HB LYS 55 HB2 LYS 55 0.420 -10.593 1.849
432 1HG LYS 55 HG1 LYS 55 1.795 -12.655 1.071
433 2HG LYS 55 HG2 LYS 55 1.590 -13.319 2.729
434 1HD LYS 55 HD1 LYS 55 -0.907 -13.197 2.434
435 2HD LYS 55 HD2 LYS 55 -0.672 -12.484 0.801
436 1HE LYS 55 HE1 LYS 55 0.492 -14.625 0.065
437 2HE LYS 55 HE2 LYS 55 0.138 -15.337 1.694
438 1HZ LYS 55 HZ3 LYS 55 -2.203 -14.968 1.272
439 2HZ LYS 55 HZ1 LYS 55 -1.864 -14.297 -0.251
440 3HZ LYS 55 HZ2 LYS 55 -1.507 -15.929 0.057
441 H LYS 56 H LYS 56 2.805 -8.268 1.887
442 HA LYS 56 HA LYS 56 4.236 -9.165 -0.521
443 1HB LYS 56 HB1 LYS 56 2.443 -6.835 0.206
444 2HB LYS 56 HB2 LYS 56 3.578 -6.667 -1.155
445 1HG LYS 56 HG1 LYS 56 2.826 -8.681 -2.222
446 2HG LYS 56 HG2 LYS 56 1.640 -9.032 -0.934
447 1HD LYS 56 HD1 LYS 56 1.397 -6.400 -2.661
448 2HD LYS 56 HD2 LYS 56 0.888 -8.026 -3.197
449 1HE LYS 56 HE1 LYS 56 -0.508 -8.464 -1.155
450 2HE LYS 56 HE2 LYS 56 -0.257 -6.755 -0.642
451 1HZ LYS 56 HZ1 LYS 56 -1.467 -7.686 -3.204
452 2HZ LYS 56 HZ2 LYS 56 -2.299 -7.083 -1.852
453 3HZ LYS 56 HZ3 LYS 56 -1.259 -6.067 -2.731
454 H CYS 57 H CYS 57 4.830 -7.243 2.473
455 HA CYS 57 HA CYS 57 7.521 -6.393 1.350
456 1HB CYS 57 HB1 CYS 57 5.210 -4.706 2.607
457 2HB CYS 57 HB2 CYS 57 6.855 -4.190 2.544
458 H LEU 58 H LEU 58 6.580 -8.459 3.597
459 HA LEU 58 HA LEU 58 8.679 -7.613 5.448
460 1HB LEU 58 HB1 LEU 58 5.824 -7.958 6.374
461 2HB LEU 58 HB2 LEU 58 7.150 -8.412 7.501
462 HG LEU 58 HG LEU 58 6.849 -5.719 6.228
463 1HD1 LEU 58 HD11 LEU 58 5.012 -6.264 7.969
464 2HD1 LEU 58 HD12 LEU 58 6.295 -6.722 9.126
465 3HD1 LEU 58 HD13 LEU 58 6.159 -5.014 8.615
466 1HD2 LEU 58 HD21 LEU 58 8.791 -6.637 8.420
467 2HD2 LEU 58 HD22 LEU 58 9.201 -6.008 6.775
468 3HD2 LEU 58 HD23 LEU 58 8.454 -4.918 7.976
469 H GLY 59 H GLY 59 6.716 -10.193 4.017
470 1HA GLY 59 HA1 GLY 59 7.160 -12.311 3.720
471 2HA GLY 59 HA2 GLY 59 8.560 -12.242 4.872
472 H LYS 60 H LYS 60 4.987 -11.769 4.931
473 HA LYS 60 HA LYS 60 4.583 -13.808 6.898
474 1HB LYS 60 HB1 LYS 60 3.500 -12.105 8.482
475 2HB LYS 60 HB2 LYS 60 5.301 -12.101 8.448
476 1HG LYS 60 HG1 LYS 60 5.256 -10.106 6.832
477 2HG LYS 60 HG2 LYS 60 3.485 -10.079 7.006
478 1HD LYS 60 HD1 LYS 60 5.639 -9.534 9.138
479 2HD LYS 60 HD2 LYS 60 4.478 -8.394 8.354
480 1HE LYS 60 HE1 LYS 60 2.570 -9.595 9.504
481 2HE LYS 60 HE2 LYS 60 3.781 -10.622 10.377
482 1HZ LYS 60 HZ1 LYS 60 3.622 -7.653 10.465
483 2HZ LYS 60 HZ2 LYS 60 3.106 -8.729 11.673
484 3HZ LYS 60 HZ3 LYS 60 4.755 -8.621 11.280
No H/Q in entry = 484