NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
10895 |
1qky   |
4427 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 H1 ASP 1 4.488 -3.004 13.244
2 H2 ASP 1 H2 ASP 1 4.802 -3.262 11.661
3 H3 ASP 1 H3 ASP 1 5.179 -4.416 12.763
4 HA ASP 1 HA ASP 1 6.785 -3.082 13.804
5 1HB ASP 1 1HB ASP 1 7.104 -3.587 10.887
6 2HB ASP 1 2HB ASP 1 8.388 -2.723 11.785
7 H GLU 2 H GLU 2 7.034 -1.019 10.899
8 HA GLU 2 HA GLU 2 5.944 1.265 12.427
9 1HB GLU 2 1HB GLU 2 8.268 1.309 13.036
10 2HB GLU 2 2HB GLU 2 8.794 1.036 11.368
11 1HG GLU 2 1HG GLU 2 8.114 3.216 10.668
12 2HG GLU 2 2HG GLU 2 7.119 3.470 12.101
13 H ALA 3 H ALA 3 4.601 2.299 11.055
14 HA ALA 3 HA ALA 3 3.395 2.721 9.199
15 1HB ALA 3 3HB ALA 3 4.592 3.786 7.347
16 2HB ALA 3 1HB ALA 3 5.283 4.303 8.885
17 3HB ALA 3 2HB ALA 3 6.128 3.090 7.900
18 H ILE 4 H ILE 4 3.936 2.169 6.455
19 HA ILE 4 HA ILE 4 4.370 -0.705 6.186
20 HB ILE 4 HB ILE 4 1.858 0.698 5.176
21 1HG1 ILE 4 1HG1 ILE 4 1.617 -0.041 7.523
22 2HG1 ILE 4 2HG1 ILE 4 0.540 -0.878 6.427
23 1HG2 ILE 4 1HG2 ILE 4 2.765 -0.818 3.436
24 2HG2 ILE 4 2HG2 ILE 4 2.810 -2.139 4.582
25 3HG2 ILE 4 3HG2 ILE 4 1.250 -1.433 4.101
26 1HD1 ILE 4 1HD1 ILE 4 3.149 -2.096 7.453
27 2HD1 ILE 4 2HD1 ILE 4 1.550 -2.372 8.156
28 3HD1 ILE 4 3HD1 ILE 4 1.888 -2.903 6.508
29 H ARG 5 H ARG 5 5.679 -0.922 4.378
30 HA ARG 5 HA ARG 5 5.754 1.343 2.456
31 1HB ARG 5 1HB ARG 5 8.191 -0.173 3.460
32 2HB ARG 5 2HB ARG 5 8.179 0.998 2.158
33 1HG ARG 5 1HG ARG 5 7.120 2.626 3.996
34 2HG ARG 5 2HG ARG 5 7.847 1.471 5.118
35 1HD ARG 5 1HD ARG 5 9.983 1.798 3.572
36 2HD ARG 5 2HD ARG 5 9.165 3.278 3.071
37 HE ARG 5 HE ARG 5 10.517 2.668 5.561
38 1HH1 ARG 5 1HH1 ARG 5 7.845 4.805 4.471
39 2HH1 ARG 5 2HH1 ARG 5 8.250 6.013 5.604
40 1HH2 ARG 5 1HH2 ARG 5 11.330 4.589 6.644
41 2HH2 ARG 5 2HH2 ARG 5 10.342 6.003 6.605
42 H CYS 6 H CYS 6 6.784 0.653 0.325
43 HA CYS 6 HA CYS 6 5.888 -2.082 -0.430
44 1HB CYS 6 1HB CYS 6 4.807 -0.856 -2.433
45 2HB CYS 6 2HB CYS 6 3.959 -0.899 -0.909
46 H THR 7 H THR 7 7.214 -3.065 -1.977
47 HA THR 7 HA THR 7 9.532 -1.848 -2.954
48 HB THR 7 HB THR 7 7.942 -4.014 -4.381
49 HG1 THR 7 HG1 THR 7 8.809 -5.428 -2.964
50 1HG2 THR 7 1HG2 THR 7 10.020 -3.216 -5.561
51 2HG2 THR 7 2HG2 THR 7 10.957 -3.600 -4.100
52 3HG2 THR 7 3HG2 THR 7 10.147 -4.892 -5.010
53 H GLY 8 H GLY 8 6.221 -1.863 -4.306
54 1HA GLY 8 1HA GLY 8 6.541 0.606 -5.623
55 2HA GLY 8 2HA GLY 8 6.548 -0.720 -6.803
56 H THR 9 H THR 9 4.467 0.798 -7.105
57 HA THR 9 HA THR 9 2.204 0.807 -5.650
58 HB THR 9 HB THR 9 2.320 0.329 -8.660
59 HG1 THR 9 HG1 THR 9 3.710 1.967 -8.353
60 1HG2 THR 9 1HG2 THR 9 0.426 1.878 -6.852
61 2HG2 THR 9 2HG2 THR 9 0.387 1.919 -8.625
62 3HG2 THR 9 3HG2 THR 9 0.037 0.406 -7.765
63 H LYS 10 H LYS 10 2.974 -1.884 -8.000
64 HA LYS 10 HA LYS 10 0.525 -3.244 -7.294
65 1HB LYS 10 1HB LYS 10 3.016 -4.197 -8.766
66 2HB LYS 10 2HB LYS 10 1.554 -5.178 -8.554
67 1HG LYS 10 1HG LYS 10 0.202 -3.467 -9.722
68 2HG LYS 10 2HG LYS 10 1.633 -2.446 -9.892
69 1HD LYS 10 1HD LYS 10 1.215 -3.548 -11.975
70 2HD LYS 10 2HD LYS 10 2.723 -4.157 -11.278
71 1HE LYS 10 1HE LYS 10 1.433 -6.170 -10.437
72 2HE LYS 10 2HE LYS 10 -0.009 -5.531 -11.263
73 1HZ LYS 10 1HZ LYS 10 1.321 -5.624 -13.339
74 2HZ LYS 10 2HZ LYS 10 2.540 -6.356 -12.493
75 3HZ LYS 10 3HZ LYS 10 1.094 -7.102 -12.676
76 H ASP 11 H ASP 11 3.640 -3.219 -5.740
77 HA ASP 11 HA ASP 11 3.222 -5.790 -4.405
78 1HB ASP 11 1HB ASP 11 5.500 -4.667 -4.835
79 2HB ASP 11 2HB ASP 11 5.101 -3.587 -3.487
80 H CYS 12 H CYS 12 2.638 -2.343 -3.790
81 HA CYS 12 HA CYS 12 2.030 -2.428 -1.045
82 1HB CYS 12 1HB CYS 12 2.376 -0.417 -2.513
83 2HB CYS 12 2HB CYS 12 0.769 -0.662 -3.181
84 H TYR 13 H TYR 13 0.047 -3.319 -3.821
85 HA TYR 13 HA TYR 13 -2.514 -3.311 -2.647
86 1HB TYR 13 1HB TYR 13 -1.377 -5.349 -4.588
87 2HB TYR 13 2HB TYR 13 -3.076 -5.002 -4.314
88 HD1 TYR 13 HD1 TYR 13 -2.228 -1.738 -4.322
89 HD2 TYR 13 HD2 TYR 13 -1.949 -5.135 -6.978
90 HE1 TYR 13 HE1 TYR 13 -2.313 -0.228 -6.248
91 HE2 TYR 13 HE2 TYR 13 -2.087 -3.630 -8.919
92 HH TYR 13 HH TYR 13 -2.869 -1.443 -9.491
93 H ILE 14 H ILE 14 0.224 -5.551 -2.165
94 HA ILE 14 HA ILE 14 -1.305 -7.685 -1.097
95 HB ILE 14 HB ILE 14 1.649 -7.109 -0.669
96 1HG1 ILE 14 1HG1 ILE 14 0.382 -8.958 -2.707
97 2HG1 ILE 14 2HG1 ILE 14 0.911 -7.329 -3.107
98 1HG2 ILE 14 1HG2 ILE 14 0.635 -8.714 0.970
99 2HG2 ILE 14 2HG2 ILE 14 0.010 -9.663 -0.389
100 3HG2 ILE 14 3HG2 ILE 14 1.758 -9.509 -0.124
101 1HD1 ILE 14 1HD1 ILE 14 3.223 -7.899 -2.394
102 2HD1 ILE 14 2HD1 ILE 14 2.702 -9.593 -2.165
103 3HD1 ILE 14 3HD1 ILE 14 2.629 -8.848 -3.767
104 HA PRO 15 HA PRO 15 -0.449 -6.226 3.304
105 1HB PRO 15 1HB PRO 15 0.645 -3.798 3.936
106 2HB PRO 15 2HB PRO 15 1.611 -5.276 3.663
107 1HG PRO 15 1HG PRO 15 0.979 -3.082 1.661
108 2HG PRO 15 2HG PRO 15 2.578 -3.785 2.059
109 1HD PRO 15 1HD PRO 15 1.187 -4.676 -0.073
110 2HD PRO 15 2HD PRO 15 2.050 -5.825 0.989
111 H CYS 16 H CYS 16 -1.413 -3.730 0.892
112 HA CYS 16 HA CYS 16 -3.294 -2.428 2.599
113 1HB CYS 16 1HB CYS 16 -2.563 -1.652 0.272
114 2HB CYS 16 2HB CYS 16 -3.674 -2.863 -0.382
115 H ARG 17 H ARG 17 -3.816 -5.101 0.183
116 HA ARG 17 HA ARG 17 -6.459 -5.603 1.148
117 1HB ARG 17 1HB ARG 17 -5.694 -6.033 -1.125
118 2HB ARG 17 2HB ARG 17 -4.626 -7.316 -0.571
119 1HG ARG 17 1HG ARG 17 -6.353 -8.825 -0.291
120 2HG ARG 17 2HG ARG 17 -7.496 -7.586 0.227
121 1HD ARG 17 1HD ARG 17 -8.184 -8.517 -1.913
122 2HD ARG 17 2HD ARG 17 -7.802 -6.796 -2.060
123 HE ARG 17 HE ARG 17 -5.549 -8.527 -2.680
124 1HH1 ARG 17 1HH1 ARG 17 -8.630 -7.330 -4.233
125 2HH1 ARG 17 2HH1 ARG 17 -7.928 -7.590 -5.796
126 1HH2 ARG 17 1HH2 ARG 17 -4.690 -8.352 -4.902
127 2HH2 ARG 17 2HH2 ARG 17 -5.889 -8.197 -6.145
128 H TYR 18 H TYR 18 -3.305 -6.729 2.343
129 HA TYR 18 HA TYR 18 -4.577 -8.817 3.921
130 1HB TYR 18 1HB TYR 18 -1.929 -8.226 3.299
131 2HB TYR 18 2HB TYR 18 -2.024 -7.849 5.003
132 HD1 TYR 18 HD1 TYR 18 -2.756 -9.695 6.645
133 HD2 TYR 18 HD2 TYR 18 -2.168 -10.462 2.434
134 HE1 TYR 18 HE1 TYR 18 -2.591 -12.112 7.110
135 HE2 TYR 18 HE2 TYR 18 -2.053 -12.881 2.883
136 HH TYR 18 HH TYR 18 -2.386 -14.278 6.174
137 H ILE 19 H ILE 19 -3.619 -5.404 4.633
138 HA ILE 19 HA ILE 19 -4.547 -5.704 7.422
139 HB ILE 19 HB ILE 19 -3.167 -3.417 5.998
140 1HG1 ILE 19 1HG1 ILE 19 -2.020 -5.202 8.173
141 2HG1 ILE 19 2HG1 ILE 19 -1.858 -5.632 6.475
142 1HG2 ILE 19 1HG2 ILE 19 -3.932 -3.758 8.932
143 2HG2 ILE 19 2HG2 ILE 19 -2.842 -2.496 8.330
144 3HG2 ILE 19 3HG2 ILE 19 -4.527 -2.516 7.826
145 1HD1 ILE 19 1HD1 ILE 19 -0.791 -3.070 7.705
146 2HD1 ILE 19 2HD1 ILE 19 0.140 -4.501 7.237
147 3HD1 ILE 19 3HD1 ILE 19 -0.678 -3.541 5.995
148 H THR 20 H THR 20 -5.016 -3.110 4.996
149 HA THR 20 HA THR 20 -7.449 -2.176 6.101
150 HB THR 20 HB THR 20 -5.861 -1.797 3.547
151 HG1 THR 20 HG1 THR 20 -6.677 -0.111 5.662
152 1HG2 THR 20 1HG2 THR 20 -8.611 -0.620 4.033
153 2HG2 THR 20 2HG2 THR 20 -7.396 0.124 2.975
154 3HG2 THR 20 3HG2 THR 20 -7.979 -1.498 2.625
155 H GLY 21 H GLY 21 -6.786 -4.705 3.689
156 1HA GLY 21 1HA GLY 21 -8.240 -6.459 3.073
157 2HA GLY 21 2HA GLY 21 -9.587 -5.644 3.849
158 H CYS 22 H CYS 22 -9.715 -3.232 2.820
159 HA CYS 22 HA CYS 22 -10.727 -3.509 0.175
160 1HB CYS 22 1HB CYS 22 -9.887 -1.071 1.768
161 2HB CYS 22 2HB CYS 22 -10.726 -1.046 0.235
162 H PHE 23 H PHE 23 -9.914 -2.542 -1.773
163 HA PHE 23 HA PHE 23 -7.084 -3.081 -2.101
164 1HB PHE 23 1HB PHE 23 -8.909 -3.957 -3.543
165 2HB PHE 23 2HB PHE 23 -9.226 -2.328 -4.126
166 HD1 PHE 23 HD1 PHE 23 -6.772 -5.110 -4.039
167 HD2 PHE 23 HD2 PHE 23 -7.736 -1.283 -5.783
168 HE1 PHE 23 HE1 PHE 23 -5.033 -5.459 -5.781
169 HE2 PHE 23 HE2 PHE 23 -5.963 -1.622 -7.486
170 HZ PHE 23 HZ PHE 23 -4.653 -3.726 -7.514
171 H ASN 24 H ASN 24 -9.072 -0.147 -2.741
172 HA ASN 24 HA ASN 24 -7.313 1.229 -4.353
173 1HB ASN 24 1HB ASN 24 -9.628 1.908 -3.984
174 2HB ASN 24 2HB ASN 24 -9.216 2.484 -2.361
175 2HD2 ASN 24 1HD2 ASN 24 -10.012 4.650 -3.096
176 1HD2 ASN 24 2HD2 ASN 24 -8.969 5.649 -4.069
177 H SER 25 H SER 25 -5.148 1.357 -3.964
178 HA SER 25 HA SER 25 -4.260 2.935 -1.640
179 1HB SER 25 1HB SER 25 -2.350 1.182 -1.500
180 2HB SER 25 2HB SER 25 -3.935 0.785 -0.851
181 HG SER 25 HG SER 25 -4.374 -0.492 -2.610
182 H ARG 26 H ARG 26 -1.925 3.488 -1.729
183 HA ARG 26 HA ARG 26 -0.833 3.956 -4.424
184 1HB ARG 26 1HB ARG 26 -2.603 5.763 -3.225
185 2HB ARG 26 2HB ARG 26 -1.078 6.366 -2.640
186 1HG ARG 26 1HG ARG 26 -1.611 5.830 -5.600
187 2HG ARG 26 2HG ARG 26 -2.096 7.332 -4.820
188 1HD ARG 26 1HD ARG 26 0.193 7.825 -4.156
189 2HD ARG 26 2HD ARG 26 0.736 6.274 -4.825
190 HE ARG 26 HE ARG 26 -0.521 7.551 -6.937
191 1HH1 ARG 26 1HH1 ARG 26 2.398 8.038 -4.912
192 2HH1 ARG 26 2HH1 ARG 26 3.094 9.167 -6.050
193 1HH2 ARG 26 1HH2 ARG 26 0.605 8.917 -8.488
194 2HH2 ARG 26 2HH2 ARG 26 2.112 9.643 -7.994
195 H CYS 27 H CYS 27 1.458 4.423 -4.313
196 HA CYS 27 HA CYS 27 2.722 4.071 -1.645
197 1HB CYS 27 1HB CYS 27 3.803 3.766 -4.463
198 2HB CYS 27 2HB CYS 27 4.824 3.849 -3.046
199 H ILE 28 H ILE 28 3.760 5.896 -0.777
200 HA ILE 28 HA ILE 28 4.634 8.029 -2.584
201 HB ILE 28 HB ILE 28 2.303 8.567 -1.782
202 1HG1 ILE 28 2HG1 ILE 28 4.567 10.426 -0.984
203 2HG1 ILE 28 1HG1 ILE 28 2.861 10.885 -0.913
204 1HG2 ILE 28 1HG2 ILE 28 2.488 7.527 0.479
205 2HG2 ILE 28 2HG2 ILE 28 3.517 8.883 0.973
206 3HG2 ILE 28 3HG2 ILE 28 1.839 9.172 0.481
207 1HD1 ILE 28 1HD1 ILE 28 2.630 10.290 -3.351
208 2HD1 ILE 28 2HD1 ILE 28 3.696 11.662 -3.014
209 3HD1 ILE 28 3HD1 ILE 28 4.393 10.081 -3.418
210 H ASN 29 H ASN 29 6.733 8.675 -1.945
211 HA ASN 29 HA ASN 29 8.756 8.280 -1.002
212 1HB ASN 29 1HB ASN 29 7.211 8.822 1.559
213 2HB ASN 29 2HB ASN 29 8.962 8.763 1.420
214 2HD2 ASN 29 1HD2 ASN 29 6.174 10.789 1.004
215 1HD2 ASN 29 2HD2 ASN 29 7.018 12.169 0.396
216 H LYS 30 H LYS 30 7.819 5.985 -1.770
217 HA LYS 30 HA LYS 30 7.702 3.774 -1.645
218 1HB LYS 30 1HB LYS 30 10.152 4.305 -0.867
219 2HB LYS 30 2HB LYS 30 9.578 3.739 0.712
220 1HG LYS 30 1HG LYS 30 8.752 1.662 -0.530
221 2HG LYS 30 2HG LYS 30 9.709 2.196 -1.905
222 1HD LYS 30 1HD LYS 30 11.752 1.864 -0.633
223 2HD LYS 30 2HD LYS 30 10.831 1.673 0.887
224 1HE LYS 30 1HE LYS 30 9.649 -0.300 -0.095
225 2HE LYS 30 2HE LYS 30 10.620 -0.148 -1.555
226 1HZ LYS 30 1HZ LYS 30 11.723 -0.733 1.135
227 2HZ LYS 30 2HZ LYS 30 11.453 -1.824 -0.080
228 3HZ LYS 30 3HZ LYS 30 12.569 -0.641 -0.276
229 H SER 31 H SER 31 6.063 5.482 0.592
230 HA SER 31 HA SER 31 5.485 3.310 2.483
231 1HB SER 31 1HB SER 31 4.622 6.213 2.565
232 2HB SER 31 2HB SER 31 4.599 5.023 3.876
233 HG SER 31 HG SER 31 6.920 5.976 2.504
234 H CYS 32 H CYS 32 3.536 2.263 2.448
235 HA CYS 32 HA CYS 32 1.669 2.673 0.243
236 1HB CYS 32 1HB CYS 32 1.717 0.978 2.758
237 2HB CYS 32 2HB CYS 32 0.252 1.128 1.814
238 H LYS 33 H LYS 33 -0.281 3.653 0.317
239 HA LYS 33 HA LYS 33 -1.465 4.577 2.873
240 1HB LYS 33 1HB LYS 33 -1.138 6.204 0.299
241 2HB LYS 33 2HB LYS 33 -2.184 6.659 1.638
242 1HG LYS 33 1HG LYS 33 0.859 6.415 1.772
243 2HG LYS 33 2HG LYS 33 -0.074 7.902 1.626
244 1HD LYS 33 1HD LYS 33 -1.218 7.252 3.832
245 2HD LYS 33 2HD LYS 33 -0.008 5.996 3.997
246 1HE LYS 33 1HE LYS 33 0.809 7.800 5.273
247 2HE LYS 33 2HE LYS 33 1.789 7.786 3.799
248 1HZ LYS 33 1HZ LYS 33 -0.503 9.579 4.341
249 2HZ LYS 33 2HZ LYS 33 1.099 9.999 4.370
250 3HZ LYS 33 3HZ LYS 33 0.383 9.591 2.959
251 H CYS 34 H CYS 34 -3.448 3.513 2.931
252 HA CYS 34 HA CYS 34 -4.708 2.795 0.322
253 1HB CYS 34 1HB CYS 34 -5.499 1.850 3.073
254 2HB CYS 34 2HB CYS 34 -6.145 1.326 1.530
255 H TYR 35 H TYR 35 -6.642 3.728 -0.198
256 HA TYR 35 HA TYR 35 -7.594 6.049 1.373
257 1HB TYR 35 1HB TYR 35 -8.478 4.719 -1.211
258 2HB TYR 35 2HB TYR 35 -9.243 6.144 -0.532
259 HD1 TYR 35 HD1 TYR 35 -8.137 8.327 -0.472
260 HD2 TYR 35 HD2 TYR 35 -6.270 4.922 -2.366
261 HE1 TYR 35 HE1 TYR 35 -6.617 9.822 -1.662
262 HE2 TYR 35 HE2 TYR 35 -4.751 6.446 -3.599
263 HH TYR 35 HH TYR 35 -4.882 10.022 -3.099
264 H GLY 36 H GLY 36 -8.272 2.647 0.929
265 1HA GLY 36 1HA GLY 36 -9.682 1.500 2.601
266 2HA GLY 36 2HA GLY 36 -10.842 2.840 2.420
267 H CYS 37 H CYS 37 -12.433 1.380 1.629
268 HA CYS 37 HA CYS 37 -12.001 -0.009 -0.930
269 1HB CYS 37 1HB CYS 37 -14.334 0.441 0.923
270 2HB CYS 37 2HB CYS 37 -14.609 -0.079 -0.737
271 H THR 38 H THR 38 -13.153 0.507 -2.852
272 HA THR 38 HA THR 38 -12.725 3.131 -3.783
273 HB THR 38 HB THR 38 -14.217 2.214 -5.698
274 HG1 THR 38 HG1 THR 38 -15.309 0.631 -4.659
275 1HG2 THR 38 1HG2 THR 38 -11.713 0.682 -4.820
276 2HG2 THR 38 2HG2 THR 38 -12.398 0.701 -6.454
277 3HG2 THR 38 3HG2 THR 38 -11.752 2.190 -5.754
No H/Q in entry = 277
Start of MODEL 2
1 H1 ASP 1 H1 ASP 1 8.718 -0.103 15.161
2 H2 ASP 1 H2 ASP 1 7.502 -1.056 14.568
3 H3 ASP 1 H3 ASP 1 8.148 -1.340 16.056
4 HA ASP 1 HA ASP 1 10.238 -1.908 15.153
5 1HB ASP 1 2HB ASP 1 9.751 -4.012 14.116
6 2HB ASP 1 1HB ASP 1 8.124 -3.481 13.653
7 H GLU 2 H GLU 2 7.836 -1.277 12.501
8 HA GLU 2 HA GLU 2 9.876 0.154 11.019
9 1HB GLU 2 1HB GLU 2 9.416 -1.009 8.921
10 2HB GLU 2 2HB GLU 2 10.231 -2.042 10.092
11 1HG GLU 2 1HG GLU 2 8.142 -3.233 10.563
12 2HG GLU 2 2HG GLU 2 7.244 -2.147 9.500
13 H ALA 3 H ALA 3 7.774 0.041 8.730
14 HA ALA 3 HA ALA 3 5.366 1.093 9.860
15 1HB ALA 3 2HB ALA 3 7.150 2.913 8.166
16 2HB ALA 3 3HB ALA 3 5.484 3.266 8.673
17 3HB ALA 3 1HB ALA 3 6.774 3.166 9.886
18 H ILE 4 H ILE 4 3.943 1.704 7.794
19 HA ILE 4 HA ILE 4 4.293 -0.475 5.905
20 HB ILE 4 HB ILE 4 2.190 1.658 5.522
21 1HG1 ILE 4 1HG1 ILE 4 2.106 -0.528 7.627
22 2HG1 ILE 4 2HG1 ILE 4 1.945 1.214 7.872
23 1HG2 ILE 4 1HG2 ILE 4 2.702 -0.290 3.907
24 2HG2 ILE 4 2HG2 ILE 4 2.104 -1.372 5.175
25 3HG2 ILE 4 3HG2 ILE 4 1.039 -0.142 4.455
26 1HD1 ILE 4 1HD1 ILE 4 -0.170 1.169 6.506
27 2HD1 ILE 4 2HD1 ILE 4 -0.063 -0.611 6.503
28 3HD1 ILE 4 3HD1 ILE 4 -0.230 0.265 8.024
29 H ARG 5 H ARG 5 6.339 0.144 5.107
30 HA ARG 5 HA ARG 5 6.372 2.404 3.145
31 1HB ARG 5 1HB ARG 5 8.632 0.683 4.218
32 2HB ARG 5 2HB ARG 5 8.812 1.998 3.046
33 1HG ARG 5 1HG ARG 5 7.911 3.604 4.758
34 2HG ARG 5 2HG ARG 5 7.848 2.269 5.930
35 1HD ARG 5 1HD ARG 5 10.306 1.905 5.565
36 2HD ARG 5 2HD ARG 5 10.320 3.366 4.557
37 HE ARG 5 HE ARG 5 9.134 4.155 6.941
38 1HH1 ARG 5 1HH1 ARG 5 12.327 2.968 5.931
39 2HH1 ARG 5 2HH1 ARG 5 13.121 3.485 7.392
40 1HH2 ARG 5 1HH2 ARG 5 10.241 4.957 8.807
41 2HH2 ARG 5 2HH2 ARG 5 11.861 4.468 9.133
42 H CYS 6 H CYS 6 7.501 1.742 0.990
43 HA CYS 6 HA CYS 6 6.713 -1.046 0.271
44 1HB CYS 6 2HB CYS 6 4.847 0.508 -0.232
45 2HB CYS 6 1HB CYS 6 5.510 -0.301 -1.639
46 H THR 7 H THR 7 7.297 -1.445 -2.092
47 HA THR 7 HA THR 7 10.000 -0.378 -2.711
48 HB THR 7 HB THR 7 8.843 -3.072 -3.493
49 HG1 THR 7 HG1 THR 7 10.894 -2.591 -1.590
50 1HG2 THR 7 1HG2 THR 7 11.653 -1.880 -3.686
51 2HG2 THR 7 2HG2 THR 7 11.236 -3.573 -4.039
52 3HG2 THR 7 3HG2 THR 7 10.578 -2.271 -5.037
53 H GLY 8 H GLY 8 7.160 -1.903 -4.439
54 1HA GLY 8 1HA GLY 8 7.075 0.414 -6.291
55 2HA GLY 8 2HA GLY 8 6.876 -1.260 -6.810
56 H THR 9 H THR 9 4.793 0.646 -7.281
57 HA THR 9 HA THR 9 2.923 0.815 -5.225
58 HB THR 9 HB THR 9 2.295 0.747 -8.191
59 HG1 THR 9 HG1 THR 9 2.862 3.161 -6.940
60 1HG2 THR 9 1HG2 THR 9 1.065 2.307 -5.862
61 2HG2 THR 9 2HG2 THR 9 0.593 2.432 -7.576
62 3HG2 THR 9 3HG2 THR 9 0.320 0.929 -6.695
63 H LYS 10 H LYS 10 3.197 -1.826 -7.738
64 HA LYS 10 HA LYS 10 0.779 -3.066 -6.734
65 1HB LYS 10 2HB LYS 10 1.743 -3.391 -9.028
66 2HB LYS 10 1HB LYS 10 1.130 -4.810 -8.212
67 1HG LYS 10 2HG LYS 10 4.108 -4.177 -8.213
68 2HG LYS 10 1HG LYS 10 3.296 -4.963 -9.570
69 1HD LYS 10 1HD LYS 10 3.652 -6.055 -6.763
70 2HD LYS 10 2HD LYS 10 2.442 -6.709 -7.890
71 1HE LYS 10 1HE LYS 10 4.213 -7.063 -9.573
72 2HE LYS 10 2HE LYS 10 5.435 -6.456 -8.441
73 1HZ LYS 10 1HZ LYS 10 3.694 -8.767 -7.840
74 2HZ LYS 10 2HZ LYS 10 5.170 -8.940 -8.535
75 3HZ LYS 10 3HZ LYS 10 5.088 -8.319 -7.056
76 H ASP 11 H ASP 11 4.012 -2.964 -5.522
77 HA ASP 11 HA ASP 11 3.912 -5.387 -3.915
78 1HB ASP 11 1HB ASP 11 5.981 -3.919 -4.564
79 2HB ASP 11 2HB ASP 11 5.495 -2.883 -3.220
80 H CYS 12 H CYS 12 3.362 -1.907 -3.411
81 HA CYS 12 HA CYS 12 2.400 -1.970 -0.763
82 1HB CYS 12 1HB CYS 12 3.257 -0.043 -2.075
83 2HB CYS 12 2HB CYS 12 1.760 -0.024 -3.008
84 H TYR 13 H TYR 13 0.693 -2.850 -3.700
85 HA TYR 13 HA TYR 13 -2.005 -2.519 -2.683
86 1HB TYR 13 1HB TYR 13 -0.720 -4.028 -4.941
87 2HB TYR 13 2HB TYR 13 -2.252 -4.616 -4.351
88 HD1 TYR 13 HD1 TYR 13 -0.970 -1.078 -4.920
89 HD2 TYR 13 HD2 TYR 13 -3.953 -4.076 -5.771
90 HE1 TYR 13 HE1 TYR 13 -2.186 0.537 -6.340
91 HE2 TYR 13 HE2 TYR 13 -5.144 -2.492 -7.222
92 HH TYR 13 HH TYR 13 -4.927 -0.485 -8.366
93 H ILE 14 H ILE 14 0.471 -5.089 -2.418
94 HA ILE 14 HA ILE 14 -1.199 -7.172 -1.583
95 HB ILE 14 HB ILE 14 1.764 -6.724 -1.071
96 1HG1 ILE 14 1HG1 ILE 14 0.326 -8.415 -3.169
97 2HG1 ILE 14 2HG1 ILE 14 0.987 -6.813 -3.480
98 1HG2 ILE 14 1HG2 ILE 14 0.836 -8.377 0.536
99 2HG2 ILE 14 2HG2 ILE 14 0.189 -9.303 -0.832
100 3HG2 ILE 14 3HG2 ILE 14 1.933 -9.108 -0.620
101 1HD1 ILE 14 1HD1 ILE 14 3.263 -7.632 -2.875
102 2HD1 ILE 14 2HD1 ILE 14 2.594 -9.283 -2.775
103 3HD1 ILE 14 3HD1 ILE 14 2.551 -8.402 -4.308
104 HA PRO 15 HA PRO 15 -0.322 -6.311 2.996
105 1HB PRO 15 1HB PRO 15 0.517 -3.837 3.886
106 2HB PRO 15 2HB PRO 15 1.621 -5.172 3.452
107 1HG PRO 15 2HG PRO 15 2.419 -3.467 1.976
108 2HG PRO 15 1HG PRO 15 0.770 -2.831 1.723
109 1HD PRO 15 1HD PRO 15 0.980 -4.149 -0.179
110 2HD PRO 15 2HD PRO 15 2.020 -5.350 0.629
111 H CYS 16 H CYS 16 -1.260 -3.259 1.297
112 HA CYS 16 HA CYS 16 -3.203 -2.458 3.180
113 1HB CYS 16 1HB CYS 16 -2.230 -1.100 1.304
114 2HB CYS 16 2HB CYS 16 -3.287 -1.975 0.182
115 H ARG 17 H ARG 17 -3.573 -4.441 0.178
116 HA ARG 17 HA ARG 17 -6.349 -5.007 0.572
117 1HB ARG 17 1HB ARG 17 -5.089 -5.374 -1.577
118 2HB ARG 17 2HB ARG 17 -4.208 -6.703 -0.800
119 1HG ARG 17 1HG ARG 17 -6.407 -7.841 -0.352
120 2HG ARG 17 2HG ARG 17 -7.220 -6.532 -1.238
121 1HD ARG 17 1HD ARG 17 -6.295 -7.197 -3.300
122 2HD ARG 17 2HD ARG 17 -5.002 -8.117 -2.498
123 HE ARG 17 HE ARG 17 -7.598 -9.154 -1.813
124 1HH1 ARG 17 1HH1 ARG 17 -5.304 -8.999 -4.497
125 2HH1 ARG 17 2HH1 ARG 17 -5.396 -10.660 -4.934
126 1HH2 ARG 17 1HH2 ARG 17 -7.697 -11.454 -2.276
127 2HH2 ARG 17 2HH2 ARG 17 -6.905 -12.087 -3.698
128 H TYR 18 H TYR 18 -3.339 -6.738 1.699
129 HA TYR 18 HA TYR 18 -4.776 -8.927 2.738
130 1HB TYR 18 1HB TYR 18 -2.182 -8.554 2.428
131 2HB TYR 18 2HB TYR 18 -2.244 -7.990 4.091
132 HD1 TYR 18 HD1 TYR 18 -2.857 -9.634 5.912
133 HD2 TYR 18 HD2 TYR 18 -2.626 -10.829 1.773
134 HE1 TYR 18 HE1 TYR 18 -2.977 -11.995 6.592
135 HE2 TYR 18 HE2 TYR 18 -2.671 -13.203 2.445
136 HH TYR 18 HH TYR 18 -3.025 -14.238 5.869
137 H ILE 19 H ILE 19 -4.002 -5.786 4.180
138 HA ILE 19 HA ILE 19 -5.052 -6.394 6.808
139 HB ILE 19 HB ILE 19 -4.250 -3.795 5.444
140 1HG1 ILE 19 1HG1 ILE 19 -2.721 -5.150 7.691
141 2HG1 ILE 19 2HG1 ILE 19 -2.476 -5.686 6.045
142 1HG2 ILE 19 1HG2 ILE 19 -4.990 -4.316 8.362
143 2HG2 ILE 19 2HG2 ILE 19 -4.195 -2.835 7.779
144 3HG2 ILE 19 3HG2 ILE 19 -5.814 -3.227 7.234
145 1HD1 ILE 19 1HD1 ILE 19 -1.866 -3.377 5.348
146 2HD1 ILE 19 2HD1 ILE 19 -2.051 -2.838 7.016
147 3HD1 ILE 19 3HD1 ILE 19 -0.800 -4.029 6.605
148 H THR 20 H THR 20 -6.162 -3.850 4.506
149 HA THR 20 HA THR 20 -8.693 -3.608 5.775
150 HB THR 20 HB THR 20 -7.419 -2.503 3.239
151 HG1 THR 20 HG1 THR 20 -7.921 -1.439 5.828
152 1HG2 THR 20 1HG2 THR 20 -10.019 -1.605 4.541
153 2HG2 THR 20 2HG2 THR 20 -9.079 -0.655 3.364
154 3HG2 THR 20 3HG2 THR 20 -9.789 -2.198 2.892
155 H GLY 21 H GLY 21 -7.672 -5.636 3.013
156 1HA GLY 21 1HA GLY 21 -9.014 -7.292 2.038
157 2HA GLY 21 2HA GLY 21 -10.487 -6.521 2.655
158 H CYS 22 H CYS 22 -10.359 -3.944 1.914
159 HA CYS 22 HA CYS 22 -10.587 -3.944 -0.962
160 1HB CYS 22 1HB CYS 22 -10.470 -1.530 0.877
161 2HB CYS 22 2HB CYS 22 -11.148 -1.625 -0.744
162 H PHE 23 H PHE 23 -9.103 -3.303 -2.435
163 HA PHE 23 HA PHE 23 -6.296 -3.335 -1.573
164 1HB PHE 23 2HB PHE 23 -7.040 -5.004 -3.134
165 2HB PHE 23 1HB PHE 23 -5.915 -3.941 -3.952
166 HD1 PHE 23 HD1 PHE 23 -6.782 -2.269 -5.631
167 HD2 PHE 23 HD2 PHE 23 -9.378 -5.181 -3.790
168 HE1 PHE 23 HE1 PHE 23 -8.489 -1.883 -7.406
169 HE2 PHE 23 HE2 PHE 23 -11.088 -4.752 -5.525
170 HZ PHE 23 HZ PHE 23 -10.642 -3.120 -7.341
171 H ASN 24 H ASN 24 -8.326 -0.755 -2.172
172 HA ASN 24 HA ASN 24 -6.884 0.677 -4.155
173 1HB ASN 24 1HB ASN 24 -9.281 0.971 -3.471
174 2HB ASN 24 2HB ASN 24 -8.722 1.899 -2.074
175 2HD2 ASN 24 1HD2 ASN 24 -10.377 3.300 -3.638
176 1HD2 ASN 24 2HD2 ASN 24 -9.515 4.398 -4.688
177 H SER 25 H SER 25 -4.741 0.458 -3.557
178 HA SER 25 HA SER 25 -3.647 2.100 -1.349
179 1HB SER 25 1HB SER 25 -3.546 -0.424 -1.304
180 2HB SER 25 2HB SER 25 -2.529 -0.353 -2.749
181 HG SER 25 HG SER 25 -1.253 -0.467 -0.865
182 H ARG 26 H ARG 26 -1.462 2.945 -1.679
183 HA ARG 26 HA ARG 26 -0.500 3.378 -4.432
184 1HB ARG 26 1HB ARG 26 -2.384 4.970 -3.977
185 2HB ARG 26 2HB ARG 26 -1.497 5.627 -2.603
186 1HG ARG 26 1HG ARG 26 0.207 6.543 -4.041
187 2HG ARG 26 2HG ARG 26 -0.388 5.617 -5.437
188 1HD ARG 26 1HD ARG 26 -2.628 6.838 -5.051
189 2HD ARG 26 2HD ARG 26 -1.706 7.971 -4.044
190 HE ARG 26 HE ARG 26 -0.246 8.073 -6.262
191 1HH1 ARG 26 1HH1 ARG 26 -3.772 8.238 -5.852
192 2HH1 ARG 26 2HH1 ARG 26 -4.078 8.839 -7.451
193 1HH2 ARG 26 1HH2 ARG 26 -0.645 9.035 -8.327
194 2HH2 ARG 26 2HH2 ARG 26 -2.213 9.661 -8.702
195 H CYS 27 H CYS 27 1.692 3.813 -4.459
196 HA CYS 27 HA CYS 27 3.178 3.993 -1.878
197 1HB CYS 27 1HB CYS 27 3.986 3.617 -4.796
198 2HB CYS 27 2HB CYS 27 5.134 4.175 -3.604
199 H ILE 28 H ILE 28 3.859 6.057 -1.227
200 HA ILE 28 HA ILE 28 4.287 8.085 -3.275
201 HB ILE 28 HB ILE 28 2.002 8.523 -2.668
202 1HG1 ILE 28 1HG1 ILE 28 2.140 10.820 -1.831
203 2HG1 ILE 28 2HG1 ILE 28 3.800 10.548 -1.297
204 1HG2 ILE 28 1HG2 ILE 28 1.885 7.401 -0.488
205 2HG2 ILE 28 2HG2 ILE 28 2.835 8.718 0.246
206 3HG2 ILE 28 3HG2 ILE 28 1.238 9.045 -0.449
207 1HD1 ILE 28 1HD1 ILE 28 2.930 10.253 -4.198
208 2HD1 ILE 28 2HD1 ILE 28 3.490 11.778 -3.497
209 3HD1 ILE 28 3HD1 ILE 28 4.582 10.377 -3.571
210 H ASN 29 H ASN 29 6.211 8.979 -2.923
211 HA ASN 29 HA ASN 29 8.297 8.953 -2.183
212 1HB ASN 29 1HB ASN 29 7.348 11.053 -1.342
213 2HB ASN 29 2HB ASN 29 6.996 10.279 0.211
214 2HD2 ASN 29 1HD2 ASN 29 8.485 11.536 1.469
215 1HD2 ASN 29 2HD2 ASN 29 10.220 11.434 1.215
216 H LYS 30 H LYS 30 7.546 6.506 -1.998
217 HA LYS 30 HA LYS 30 8.145 4.497 -1.280
218 1HB LYS 30 1HB LYS 30 10.318 5.714 -0.884
219 2HB LYS 30 2HB LYS 30 9.907 5.779 0.837
220 1HG LYS 30 1HG LYS 30 9.973 3.385 1.034
221 2HG LYS 30 2HG LYS 30 9.957 3.185 -0.734
222 1HD LYS 30 1HD LYS 30 12.207 4.151 -0.893
223 2HD LYS 30 2HD LYS 30 12.211 4.500 0.844
224 1HE LYS 30 1HE LYS 30 13.494 2.462 0.301
225 2HE LYS 30 2HE LYS 30 12.146 2.133 1.395
226 1HZ LYS 30 1HZ LYS 30 12.003 1.678 -1.531
227 2HZ LYS 30 2HZ LYS 30 12.451 0.541 -0.448
228 3HZ LYS 30 3HZ LYS 30 10.920 1.179 -0.407
229 H SER 31 H SER 31 6.179 6.414 0.618
230 HA SER 31 HA SER 31 5.787 4.313 2.699
231 1HB SER 31 1HB SER 31 5.874 6.730 3.380
232 2HB SER 31 2HB SER 31 4.466 7.027 2.342
233 HG SER 31 HG SER 31 3.260 5.586 3.640
234 H CYS 32 H CYS 32 3.763 3.260 2.830
235 HA CYS 32 HA CYS 32 2.160 3.230 0.345
236 1HB CYS 32 1HB CYS 32 2.170 1.694 2.966
237 2HB CYS 32 2HB CYS 32 0.724 1.728 1.972
238 H LYS 33 H LYS 33 0.110 4.046 0.264
239 HA LYS 33 HA LYS 33 -1.182 5.213 2.633
240 1HB LYS 33 1HB LYS 33 -0.676 6.647 -0.034
241 2HB LYS 33 2HB LYS 33 -1.928 7.136 1.102
242 1HG LYS 33 2HG LYS 33 0.039 8.536 1.336
243 2HG LYS 33 1HG LYS 33 1.069 7.131 1.683
244 1HD LYS 33 1HD LYS 33 -1.323 7.936 3.331
245 2HD LYS 33 2HD LYS 33 -0.084 6.760 3.792
246 1HE LYS 33 1HE LYS 33 1.610 8.540 3.859
247 2HE LYS 33 2HE LYS 33 0.410 9.736 3.335
248 1HZ LYS 33 1HZ LYS 33 0.275 8.184 5.846
249 2HZ LYS 33 2HZ LYS 33 0.773 9.738 5.709
250 3HZ LYS 33 3HZ LYS 33 -0.796 9.371 5.373
251 H CYS 34 H CYS 34 -3.485 4.952 2.404
252 HA CYS 34 HA CYS 34 -4.341 3.618 -0.105
253 1HB CYS 34 1HB CYS 34 -5.137 2.733 2.693
254 2HB CYS 34 2HB CYS 34 -5.718 2.075 1.161
255 H TYR 35 H TYR 35 -6.613 3.645 -0.401
256 HA TYR 35 HA TYR 35 -7.881 6.128 0.655
257 1HB TYR 35 1HB TYR 35 -8.524 4.429 -1.753
258 2HB TYR 35 2HB TYR 35 -9.326 5.930 -1.299
259 HD1 TYR 35 HD1 TYR 35 -7.963 8.074 -1.186
260 HD2 TYR 35 HD2 TYR 35 -6.356 4.480 -2.908
261 HE1 TYR 35 HE1 TYR 35 -6.236 9.419 -2.334
262 HE2 TYR 35 HE2 TYR 35 -4.630 5.789 -4.068
263 HH TYR 35 HH TYR 35 -4.603 9.354 -4.072
264 H GLY 36 H GLY 36 -7.588 3.084 1.648
265 1HA GLY 36 1HA GLY 36 -8.728 1.750 3.065
266 2HA GLY 36 2HA GLY 36 -9.925 3.045 3.279
267 H CYS 37 H CYS 37 -11.903 2.712 2.386
268 HA CYS 37 HA CYS 37 -12.127 1.008 -0.015
269 1HB CYS 37 1HB CYS 37 -12.446 -0.280 2.249
270 2HB CYS 37 2HB CYS 37 -14.013 0.514 2.285
271 H THR 38 H THR 38 -12.569 2.825 -1.188
272 HA THR 38 HA THR 38 -14.585 4.788 -0.510
273 HB THR 38 HB THR 38 -14.298 5.299 -2.998
274 HG1 THR 38 HG1 THR 38 -13.502 3.026 -3.255
275 1HG2 THR 38 1HG2 THR 38 -11.764 5.223 -1.291
276 2HG2 THR 38 2HG2 THR 38 -11.996 6.197 -2.752
277 3HG2 THR 38 3HG2 THR 38 -12.979 6.518 -1.318
No H/Q in entry = 277
Start of MODEL 3
1 H1 ASP 1 H1 ASP 1 7.252 -2.681 12.000
2 H2 ASP 1 H2 ASP 1 7.374 -3.422 10.526
3 H3 ASP 1 H3 ASP 1 7.263 -4.318 11.910
4 HA ASP 1 HA ASP 1 9.341 -3.527 12.703
5 1HB ASP 1 1HB ASP 1 9.718 -4.488 9.846
6 2HB ASP 1 2HB ASP 1 10.874 -4.593 11.187
7 H GLU 2 H GLU 2 8.866 -2.378 9.287
8 HA GLU 2 HA GLU 2 10.679 -0.101 9.871
9 1HB GLU 2 1HB GLU 2 11.439 -1.867 8.297
10 2HB GLU 2 2HB GLU 2 10.057 -1.533 7.253
11 1HG GLU 2 1HG GLU 2 10.892 0.717 6.798
12 2HG GLU 2 2HG GLU 2 12.090 0.580 8.089
13 H ALA 3 H ALA 3 8.505 0.571 10.894
14 HA ALA 3 HA ALA 3 6.494 1.589 10.930
15 1HB ALA 3 1HB ALA 3 7.896 3.276 8.811
16 2HB ALA 3 2HB ALA 3 6.444 3.758 9.720
17 3HB ALA 3 3HB ALA 3 7.977 3.489 10.569
18 H ILE 4 H ILE 4 6.380 2.620 7.656
19 HA ILE 4 HA ILE 4 4.950 0.331 6.613
20 HB ILE 4 HB ILE 4 3.590 3.075 6.683
21 1HG1 ILE 4 1HG1 ILE 4 2.697 0.469 7.987
22 2HG1 ILE 4 2HG1 ILE 4 3.363 1.871 8.839
23 1HG2 ILE 4 1HG2 ILE 4 3.301 1.822 4.555
24 2HG2 ILE 4 2HG2 ILE 4 2.687 0.424 5.451
25 3HG2 ILE 4 3HG2 ILE 4 1.779 1.951 5.423
26 1HD1 ILE 4 1HD1 ILE 4 1.463 3.259 8.006
27 2HD1 ILE 4 2HD1 ILE 4 0.706 1.753 7.413
28 3HD1 ILE 4 3HD1 ILE 4 1.043 1.965 9.137
29 H ARG 5 H ARG 5 6.378 0.092 4.946
30 HA ARG 5 HA ARG 5 6.855 2.408 3.162
31 1HB ARG 5 1HB ARG 5 8.983 0.477 4.150
32 2HB ARG 5 2HB ARG 5 9.174 1.579 2.770
33 1HG ARG 5 1HG ARG 5 8.538 3.468 4.383
34 2HG ARG 5 2HG ARG 5 8.767 2.299 5.694
35 1HD ARG 5 1HD ARG 5 11.105 1.896 4.859
36 2HD ARG 5 2HD ARG 5 10.868 3.168 3.657
37 HE ARG 5 HE ARG 5 11.454 3.466 6.466
38 1HH1 ARG 5 1HH1 ARG 5 9.945 5.197 3.760
39 2HH1 ARG 5 2HH1 ARG 5 9.543 6.603 4.708
40 1HH2 ARG 5 1HH2 ARG 5 11.360 5.394 7.526
41 2HH2 ARG 5 2HH2 ARG 5 10.645 6.827 6.821
42 H CYS 6 H CYS 6 7.126 1.845 0.949
43 HA CYS 6 HA CYS 6 6.202 -0.931 0.316
44 1HB CYS 6 1HB CYS 6 5.440 -0.041 -1.806
45 2HB CYS 6 2HB CYS 6 4.580 0.676 -0.475
46 H THR 7 H THR 7 7.777 -2.224 -0.575
47 HA THR 7 HA THR 7 10.285 -1.071 -1.442
48 HB THR 7 HB THR 7 10.044 -3.769 -2.407
49 HG1 THR 7 HG1 THR 7 8.424 -4.259 -1.045
50 1HG2 THR 7 1HG2 THR 7 11.377 -2.569 0.056
51 2HG2 THR 7 2HG2 THR 7 11.738 -4.168 -0.637
52 3HG2 THR 7 3HG2 THR 7 12.098 -2.701 -1.569
53 H GLY 8 H GLY 8 7.327 -0.972 -3.032
54 1HA GLY 8 1HA GLY 8 8.392 0.018 -5.413
55 2HA GLY 8 2HA GLY 8 7.939 -1.666 -5.685
56 H THR 9 H THR 9 6.512 -0.113 -7.215
57 HA THR 9 HA THR 9 4.503 1.493 -6.203
58 HB THR 9 HB THR 9 4.033 -0.131 -8.707
59 HG1 THR 9 HG1 THR 9 6.019 1.861 -8.408
60 1HG2 THR 9 1HG2 THR 9 3.765 2.832 -8.046
61 2HG2 THR 9 2HG2 THR 9 3.314 2.056 -9.579
62 3HG2 THR 9 3HG2 THR 9 2.441 1.642 -8.103
63 H LYS 10 H LYS 10 4.210 -1.950 -7.156
64 HA LYS 10 HA LYS 10 1.459 -2.019 -6.100
65 1HB LYS 10 1HB LYS 10 1.150 -4.018 -7.385
66 2HB LYS 10 2HB LYS 10 1.825 -2.741 -8.393
67 1HG LYS 10 1HG LYS 10 4.139 -3.971 -7.672
68 2HG LYS 10 2HG LYS 10 3.037 -5.335 -7.481
69 1HD LYS 10 1HD LYS 10 3.514 -3.636 -9.966
70 2HD LYS 10 2HD LYS 10 4.049 -5.303 -9.712
71 1HE LYS 10 1HE LYS 10 1.705 -6.080 -9.706
72 2HE LYS 10 2HE LYS 10 1.133 -4.410 -9.889
73 1HZ LYS 10 1HZ LYS 10 2.410 -4.325 -11.991
74 2HZ LYS 10 2HZ LYS 10 2.743 -5.922 -11.850
75 3HZ LYS 10 3HZ LYS 10 1.189 -5.394 -12.040
76 H ASP 11 H ASP 11 4.302 -2.293 -4.685
77 HA ASP 11 HA ASP 11 4.593 -4.824 -3.578
78 1HB ASP 11 1HB ASP 11 6.178 -2.936 -3.632
79 2HB ASP 11 2HB ASP 11 5.233 -2.099 -2.397
80 H CYS 12 H CYS 12 3.242 -1.991 -1.881
81 HA CYS 12 HA CYS 12 2.026 -3.504 0.212
82 1HB CYS 12 1HB CYS 12 2.376 -0.681 -0.547
83 2HB CYS 12 2HB CYS 12 0.872 -0.983 0.299
84 H TYR 13 H TYR 13 0.963 -3.943 -2.766
85 HA TYR 13 HA TYR 13 -1.865 -3.262 -2.588
86 1HB TYR 13 1HB TYR 13 -0.328 -5.317 -4.221
87 2HB TYR 13 2HB TYR 13 -2.071 -5.230 -4.201
88 HD1 TYR 13 HD1 TYR 13 -0.563 -1.887 -4.033
89 HD2 TYR 13 HD2 TYR 13 -1.796 -5.084 -6.670
90 HE1 TYR 13 HE1 TYR 13 -0.740 -0.288 -5.875
91 HE2 TYR 13 HE2 TYR 13 -1.875 -3.494 -8.552
92 HH TYR 13 HH TYR 13 -1.960 -0.161 -8.173
93 H ILE 14 H ILE 14 0.134 -6.087 -1.664
94 HA ILE 14 HA ILE 14 -1.983 -7.805 -1.013
95 HB ILE 14 HB ILE 14 0.876 -7.760 0.026
96 1HG1 ILE 14 1HG1 ILE 14 -0.403 -9.352 -2.237
97 2HG1 ILE 14 2HG1 ILE 14 0.589 -7.919 -2.469
98 1HG2 ILE 14 1HG2 ILE 14 -0.589 -9.119 1.514
99 2HG2 ILE 14 2HG2 ILE 14 -1.188 -10.012 0.097
100 3HG2 ILE 14 3HG2 ILE 14 0.507 -10.142 0.608
101 1HD1 ILE 14 1HD1 ILE 14 2.516 -9.057 -1.387
102 2HD1 ILE 14 2HD1 ILE 14 1.551 -10.552 -1.320
103 3HD1 ILE 14 3HD1 ILE 14 1.958 -9.830 -2.882
104 HA PRO 15 HA PRO 15 -1.810 -6.566 3.570
105 1HB PRO 15 1HB PRO 15 -0.737 -4.148 4.362
106 2HB PRO 15 2HB PRO 15 0.151 -5.704 4.357
107 1HG PRO 15 2HG PRO 15 1.549 -4.380 2.958
108 2HG PRO 15 1HG PRO 15 0.144 -3.560 2.211
109 1HD PRO 15 1HD PRO 15 0.601 -5.245 0.591
110 2HD PRO 15 2HD PRO 15 1.047 -6.434 1.845
111 H CYS 16 H CYS 16 -2.013 -3.710 1.285
112 HA CYS 16 HA CYS 16 -4.249 -2.585 2.670
113 1HB CYS 16 1HB CYS 16 -3.358 -2.418 -0.212
114 2HB CYS 16 2HB CYS 16 -4.744 -1.520 0.420
115 H ARG 17 H ARG 17 -4.145 -4.969 -0.040
116 HA ARG 17 HA ARG 17 -6.969 -5.292 -0.277
117 1HB ARG 17 1HB ARG 17 -5.153 -6.092 -1.835
118 2HB ARG 17 2HB ARG 17 -4.769 -7.377 -0.707
119 1HG ARG 17 1HG ARG 17 -7.503 -7.039 -2.039
120 2HG ARG 17 2HG ARG 17 -6.159 -7.896 -2.756
121 1HD ARG 17 2HD ARG 17 -6.135 -9.289 -0.514
122 2HD ARG 17 1HD ARG 17 -7.191 -9.673 -1.881
123 HE ARG 17 HE ARG 17 -8.551 -7.881 -0.144
124 1HH1 ARG 17 1HH1 ARG 17 -7.371 -11.265 -0.118
125 2HH1 ARG 17 2HH1 ARG 17 -8.761 -11.851 0.744
126 1HH2 ARG 17 1HH2 ARG 17 -10.442 -8.754 0.938
127 2HH2 ARG 17 2HH2 ARG 17 -10.418 -10.392 1.471
128 H TYR 18 H TYR 18 -4.540 -6.896 1.907
129 HA TYR 18 HA TYR 18 -6.523 -8.574 3.063
130 1HB TYR 18 1HB TYR 18 -3.848 -8.540 3.215
131 2HB TYR 18 2HB TYR 18 -4.173 -7.703 4.727
132 HD1 TYR 18 HD1 TYR 18 -5.580 -8.892 6.512
133 HD2 TYR 18 HD2 TYR 18 -4.308 -10.858 2.882
134 HE1 TYR 18 HE1 TYR 18 -6.160 -11.076 7.497
135 HE2 TYR 18 HE2 TYR 18 -4.887 -13.045 3.850
136 HH TYR 18 HH TYR 18 -5.865 -14.159 5.641
137 H ILE 19 H ILE 19 -5.332 -5.378 4.143
138 HA ILE 19 HA ILE 19 -6.858 -5.340 6.574
139 HB ILE 19 HB ILE 19 -5.347 -3.178 5.049
140 1HG1 ILE 19 1HG1 ILE 19 -4.484 -4.558 7.618
141 2HG1 ILE 19 2HG1 ILE 19 -4.062 -5.230 6.064
142 1HG2 ILE 19 1HG2 ILE 19 -6.434 -3.099 7.906
143 2HG2 ILE 19 2HG2 ILE 19 -5.375 -1.875 7.178
144 3HG2 ILE 19 3HG2 ILE 19 -6.996 -2.106 6.549
145 1HD1 ILE 19 1HD1 ILE 19 -2.962 -3.036 5.449
146 2HD1 ILE 19 2HD1 ILE 19 -3.216 -2.511 7.130
147 3HD1 ILE 19 3HD1 ILE 19 -2.201 -3.917 6.784
148 H THR 20 H THR 20 -7.184 -3.447 3.497
149 HA THR 20 HA THR 20 -9.794 -2.473 4.460
150 HB THR 20 HB THR 20 -7.645 -1.125 3.566
151 HG1 THR 20 HG1 THR 20 -9.199 -0.091 4.523
152 1HG2 THR 20 1HG2 THR 20 -7.784 -1.900 1.239
153 2HG2 THR 20 2HG2 THR 20 -9.420 -1.230 1.114
154 3HG2 THR 20 3HG2 THR 20 -8.030 -0.159 1.388
155 H GLY 21 H GLY 21 -8.712 -5.051 2.555
156 1HA GLY 21 1HA GLY 21 -10.140 -6.633 1.685
157 2HA GLY 21 2HA GLY 21 -11.466 -5.478 1.702
158 H CYS 22 H CYS 22 -11.109 -3.551 0.167
159 HA CYS 22 HA CYS 22 -10.653 -4.472 -2.548
160 1HB CYS 22 1HB CYS 22 -11.211 -1.781 -1.268
161 2HB CYS 22 2HB CYS 22 -10.949 -1.960 -3.011
162 H PHE 23 H PHE 23 -8.781 -4.253 -3.759
163 HA PHE 23 HA PHE 23 -6.348 -4.124 -2.263
164 1HB PHE 23 2HB PHE 23 -6.706 -5.590 -4.212
165 2HB PHE 23 1HB PHE 23 -5.244 -4.634 -4.343
166 HD1 PHE 23 HD1 PHE 23 -5.149 -2.643 -5.924
167 HD2 PHE 23 HD2 PHE 23 -8.505 -5.367 -5.832
168 HE1 PHE 23 HE1 PHE 23 -5.927 -1.787 -8.123
169 HE2 PHE 23 HE2 PHE 23 -9.268 -4.490 -8.005
170 HZ PHE 23 HZ PHE 23 -7.992 -2.695 -9.157
171 H ASN 24 H ASN 24 -8.011 -1.453 -3.498
172 HA ASN 24 HA ASN 24 -6.077 0.066 -4.774
173 1HB ASN 24 1HB ASN 24 -8.383 0.985 -3.077
174 2HB ASN 24 2HB ASN 24 -7.377 2.097 -4.007
175 2HD2 ASN 24 1HD2 ASN 24 -10.269 1.547 -4.383
176 1HD2 ASN 24 2HD2 ASN 24 -10.443 0.893 -6.000
177 H SER 25 H SER 25 -4.128 0.381 -4.199
178 HA SER 25 HA SER 25 -3.358 1.462 -1.563
179 1HB SER 25 1HB SER 25 -3.124 -0.993 -1.687
180 2HB SER 25 2HB SER 25 -2.229 -0.854 -3.187
181 HG SER 25 HG SER 25 -1.127 -1.082 -0.981
182 H ARG 26 H ARG 26 -1.504 2.795 -1.675
183 HA ARG 26 HA ARG 26 -0.285 3.287 -4.303
184 1HB ARG 26 1HB ARG 26 -2.365 4.952 -3.372
185 2HB ARG 26 2HB ARG 26 -0.915 5.780 -2.821
186 1HG ARG 26 1HG ARG 26 -0.152 5.271 -5.387
187 2HG ARG 26 2HG ARG 26 -1.901 5.211 -5.602
188 1HD ARG 26 1HD ARG 26 -1.472 7.437 -5.989
189 2HD ARG 26 2HD ARG 26 -1.864 7.512 -4.270
190 HE ARG 26 HE ARG 26 0.802 7.161 -4.149
191 1HH1 ARG 26 1HH1 ARG 26 -0.987 9.382 -6.285
192 2HH1 ARG 26 2HH1 ARG 26 0.363 10.413 -6.580
193 1HH2 ARG 26 1HH2 ARG 26 2.556 8.298 -4.660
194 2HH2 ARG 26 2HH2 ARG 26 2.553 9.577 -5.830
195 H CYS 27 H CYS 27 1.750 4.155 -4.193
196 HA CYS 27 HA CYS 27 3.124 4.240 -1.574
197 1HB CYS 27 1HB CYS 27 4.000 4.299 -4.484
198 2HB CYS 27 2HB CYS 27 5.102 4.658 -3.166
199 H ILE 28 H ILE 28 3.715 6.231 -0.701
200 HA ILE 28 HA ILE 28 4.058 8.510 -2.474
201 HB ILE 28 HB ILE 28 1.788 8.906 -1.895
202 1HG1 ILE 28 1HG1 ILE 28 1.957 10.994 -0.537
203 2HG1 ILE 28 2HG1 ILE 28 3.630 10.618 -0.177
204 1HG2 ILE 28 1HG2 ILE 28 2.484 8.482 1.033
205 2HG2 ILE 28 2HG2 ILE 28 0.933 9.068 0.401
206 3HG2 ILE 28 3HG2 ILE 28 1.479 7.431 0.011
207 1HD1 ILE 28 1HD1 ILE 28 2.492 11.033 -2.979
208 2HD1 ILE 28 2HD1 ILE 28 3.347 12.263 -2.028
209 3HD1 ILE 28 3HD1 ILE 28 4.205 10.813 -2.563
210 H ASN 29 H ASN 29 5.964 9.366 -1.985
211 HA ASN 29 HA ASN 29 8.052 9.472 -1.028
212 1HB ASN 29 1HB ASN 29 6.185 10.433 1.159
213 2HB ASN 29 2HB ASN 29 7.933 10.398 1.407
214 2HD2 ASN 29 1HD2 ASN 29 5.522 12.556 0.467
215 1HD2 ASN 29 2HD2 ASN 29 6.548 13.523 -0.588
216 H LYS 30 H LYS 30 7.855 7.050 -1.380
217 HA LYS 30 HA LYS 30 8.221 4.962 -0.898
218 1HB LYS 30 1HB LYS 30 10.103 6.492 0.668
219 2HB LYS 30 2HB LYS 30 9.688 5.059 1.584
220 1HG LYS 30 1HG LYS 30 10.687 5.094 -1.300
221 2HG LYS 30 2HG LYS 30 11.649 4.725 0.130
222 1HD LYS 30 1HD LYS 30 9.973 2.814 0.610
223 2HD LYS 30 2HD LYS 30 9.328 3.138 -1.004
224 1HE LYS 30 2HE LYS 30 11.695 2.789 -1.902
225 2HE LYS 30 1HE LYS 30 10.805 1.373 -1.329
226 1HZ LYS 30 1HZ LYS 30 11.995 1.580 0.791
227 2HZ LYS 30 2HZ LYS 30 12.974 1.271 -0.468
228 3HZ LYS 30 3HZ LYS 30 12.915 2.791 0.169
229 H SER 31 H SER 31 6.066 6.475 1.209
230 HA SER 31 HA SER 31 5.747 4.085 2.898
231 1HB SER 31 1HB SER 31 5.948 6.448 3.822
232 2HB SER 31 2HB SER 31 4.345 6.763 3.128
233 HG SER 31 HG SER 31 5.019 4.659 4.946
234 H CYS 32 H CYS 32 3.602 3.197 3.165
235 HA CYS 32 HA CYS 32 2.161 3.082 0.583
236 1HB CYS 32 2HB CYS 32 1.161 1.103 1.372
237 2HB CYS 32 1HB CYS 32 1.562 1.419 3.045
238 H LYS 33 H LYS 33 -0.038 3.549 0.438
239 HA LYS 33 HA LYS 33 -1.557 4.317 2.867
240 1HB LYS 33 1HB LYS 33 -1.410 5.880 0.240
241 2HB LYS 33 2HB LYS 33 -2.627 6.131 1.490
242 1HG LYS 33 1HG LYS 33 0.366 6.558 1.882
243 2HG LYS 33 2HG LYS 33 -0.814 7.820 1.507
244 1HD LYS 33 1HD LYS 33 -2.034 7.267 3.626
245 2HD LYS 33 2HD LYS 33 -0.737 6.117 4.021
246 1HE LYS 33 1HE LYS 33 0.932 7.932 3.934
247 2HE LYS 33 2HE LYS 33 -0.331 9.090 3.503
248 1HZ LYS 33 1HZ LYS 33 -1.367 8.650 5.676
249 2HZ LYS 33 2HZ LYS 33 -0.151 7.614 6.070
250 3HZ LYS 33 3HZ LYS 33 0.158 9.198 5.820
251 H CYS 34 H CYS 34 -3.521 3.267 2.819
252 HA CYS 34 HA CYS 34 -4.278 1.834 0.315
253 1HB CYS 34 1HB CYS 34 -5.510 1.576 3.065
254 2HB CYS 34 2HB CYS 34 -5.686 0.497 1.696
255 H TYR 35 H TYR 35 -6.306 2.378 -0.587
256 HA TYR 35 HA TYR 35 -7.821 4.576 0.775
257 1HB TYR 35 1HB TYR 35 -7.086 4.442 -2.163
258 2HB TYR 35 2HB TYR 35 -8.243 5.557 -1.446
259 HD1 TYR 35 HD1 TYR 35 -7.399 7.004 0.599
260 HD2 TYR 35 HD2 TYR 35 -4.799 5.164 -2.313
261 HE1 TYR 35 HE1 TYR 35 -5.616 8.566 1.232
262 HE2 TYR 35 HE2 TYR 35 -2.995 6.744 -1.686
263 HH TYR 35 HH TYR 35 -3.298 9.016 1.048
264 H GLY 36 H GLY 36 -7.927 1.479 -0.565
265 1HA GLY 36 1HA GLY 36 -9.623 -0.004 -0.831
266 2HA GLY 36 2HA GLY 36 -10.552 1.036 0.258
267 H CYS 37 H CYS 37 -12.341 0.167 -1.149
268 HA CYS 37 HA CYS 37 -12.537 1.155 -3.915
269 1HB CYS 37 1HB CYS 37 -15.028 0.301 -3.217
270 2HB CYS 37 2HB CYS 37 -13.802 -0.674 -3.997
271 H THR 38 H THR 38 -13.832 1.836 -0.652
272 HA THR 38 HA THR 38 -15.165 3.413 0.180
273 HB THR 38 HB THR 38 -13.566 5.214 -1.688
274 HG1 THR 38 HG1 THR 38 -12.164 4.231 -0.363
275 1HG2 THR 38 1HG2 THR 38 -15.271 5.832 0.768
276 2HG2 THR 38 2HG2 THR 38 -13.960 6.889 0.218
277 3HG2 THR 38 3HG2 THR 38 -15.347 6.588 -0.834
No H/Q in entry = 277
Start of MODEL 4
1 H1 ASP 1 H1 ASP 1 9.485 0.403 13.572
2 H2 ASP 1 H2 ASP 1 10.466 1.129 12.462
3 H3 ASP 1 H3 ASP 1 10.803 1.238 14.082
4 HA ASP 1 HA ASP 1 8.973 2.546 14.534
5 1HB ASP 1 1HB ASP 1 11.045 3.480 13.050
6 2HB ASP 1 2HB ASP 1 9.699 3.905 11.984
7 H GLU 2 H GLU 2 7.075 3.820 13.515
8 HA GLU 2 HA GLU 2 5.392 1.882 12.141
9 1HB GLU 2 1HB GLU 2 4.923 3.931 13.957
10 2HB GLU 2 2HB GLU 2 4.304 4.625 12.470
11 1HG GLU 2 2HG GLU 2 2.516 3.450 13.628
12 2HG GLU 2 1HG GLU 2 3.511 2.001 13.815
13 H ALA 3 H ALA 3 3.864 3.602 10.463
14 HA ALA 3 HA ALA 3 3.658 4.256 8.375
15 1HB ALA 3 2HB ALA 3 6.557 5.168 8.406
16 2HB ALA 3 1HB ALA 3 5.155 6.134 8.919
17 3HB ALA 3 3HB ALA 3 5.299 5.580 7.237
18 H ILE 4 H ILE 4 3.203 2.299 7.413
19 HA ILE 4 HA ILE 4 5.322 0.354 7.121
20 HB ILE 4 HB ILE 4 2.930 -0.109 7.664
21 1HG1 ILE 4 1HG1 ILE 4 4.406 -1.903 7.253
22 2HG1 ILE 4 2HG1 ILE 4 2.840 -2.256 6.546
23 1HG2 ILE 4 1HG2 ILE 4 1.838 1.250 5.910
24 2HG2 ILE 4 2HG2 ILE 4 2.363 0.069 4.703
25 3HG2 ILE 4 3HG2 ILE 4 1.262 -0.420 5.998
26 1HD1 ILE 4 1HD1 ILE 4 3.862 -1.597 4.272
27 2HD1 ILE 4 2HD1 ILE 4 5.431 -1.569 5.116
28 3HD1 ILE 4 3HD1 ILE 4 4.502 -3.059 5.043
29 H ARG 5 H ARG 5 6.769 0.391 5.595
30 HA ARG 5 HA ARG 5 6.446 2.240 3.301
31 1HB ARG 5 1HB ARG 5 8.967 2.121 3.218
32 2HB ARG 5 2HB ARG 5 8.277 2.859 4.663
33 1HG ARG 5 1HG ARG 5 8.707 0.881 5.995
34 2HG ARG 5 2HG ARG 5 9.188 -0.044 4.560
35 1HD ARG 5 1HD ARG 5 11.162 1.387 4.257
36 2HD ARG 5 2HD ARG 5 10.617 2.457 5.550
37 HE ARG 5 HE ARG 5 11.511 1.074 7.105
38 1HH1 ARG 5 1HH1 ARG 5 11.141 -0.847 4.147
39 2HH1 ARG 5 2HH1 ARG 5 11.903 -2.255 4.768
40 1HH2 ARG 5 1HH2 ARG 5 12.391 -0.777 8.000
41 2HH2 ARG 5 2HH2 ARG 5 12.606 -2.234 7.103
42 H CYS 6 H CYS 6 7.547 1.668 1.223
43 HA CYS 6 HA CYS 6 7.551 -1.238 0.586
44 1HB CYS 6 1HB CYS 6 6.350 -0.461 -1.580
45 2HB CYS 6 2HB CYS 6 5.393 -0.735 -0.145
46 H THR 7 H THR 7 8.841 -1.775 -1.195
47 HA THR 7 HA THR 7 10.804 0.193 -2.058
48 HB THR 7 HB THR 7 10.326 -2.725 -2.749
49 HG1 THR 7 HG1 THR 7 12.603 -2.270 -1.514
50 1HG2 THR 7 1HG2 THR 7 12.677 -0.941 -3.505
51 2HG2 THR 7 2HG2 THR 7 12.591 -2.707 -3.722
52 3HG2 THR 7 3HG2 THR 7 11.505 -1.658 -4.633
53 H GLY 8 H GLY 8 8.096 -1.669 -3.633
54 1HA GLY 8 1HA GLY 8 8.042 0.397 -5.795
55 2HA GLY 8 2HA GLY 8 7.786 -1.327 -6.040
56 H THR 9 H THR 9 6.062 0.946 -6.596
57 HA THR 9 HA THR 9 3.931 1.518 -5.064
58 HB THR 9 HB THR 9 4.001 0.884 -8.030
59 HG1 THR 9 HG1 THR 9 4.072 3.439 -6.893
60 1HG2 THR 9 1HG2 THR 9 1.970 2.478 -6.407
61 2HG2 THR 9 2HG2 THR 9 2.134 2.545 -8.180
62 3HG2 THR 9 3HG2 THR 9 1.672 1.038 -7.387
63 H LYS 10 H LYS 10 4.038 -1.434 -7.170
64 HA LYS 10 HA LYS 10 1.380 -2.125 -6.129
65 1HB LYS 10 1HB LYS 10 3.024 -3.309 -8.369
66 2HB LYS 10 2HB LYS 10 1.428 -3.884 -7.858
67 1HG LYS 10 1HG LYS 10 0.414 -1.699 -8.338
68 2HG LYS 10 2HG LYS 10 1.989 -1.012 -8.745
69 1HD LYS 10 2HD LYS 10 2.193 -2.537 -10.655
70 2HD LYS 10 1HD LYS 10 0.800 -1.446 -10.774
71 1HE LYS 10 1HE LYS 10 0.697 -4.335 -9.838
72 2HE LYS 10 2HE LYS 10 -0.702 -3.265 -9.980
73 1HZ LYS 10 1HZ LYS 10 1.043 -3.981 -12.261
74 2HZ LYS 10 2HZ LYS 10 -0.357 -4.790 -11.869
75 3HZ LYS 10 3HZ LYS 10 -0.412 -3.223 -12.323
76 H ASP 11 H ASP 11 4.528 -2.670 -5.091
77 HA ASP 11 HA ASP 11 4.485 -5.388 -4.338
78 1HB ASP 11 1HB ASP 11 5.614 -3.064 -2.708
79 2HB ASP 11 2HB ASP 11 5.992 -4.760 -2.507
80 H CYS 12 H CYS 12 3.331 -2.462 -2.670
81 HA CYS 12 HA CYS 12 2.388 -3.881 -0.377
82 1HB CYS 12 1HB CYS 12 2.825 -1.183 -1.070
83 2HB CYS 12 2HB CYS 12 1.112 -1.291 -0.656
84 H TYR 13 H TYR 13 1.005 -4.011 -3.468
85 HA TYR 13 HA TYR 13 -1.792 -3.799 -2.730
86 1HB TYR 13 1HB TYR 13 -0.376 -5.131 -5.061
87 2HB TYR 13 2HB TYR 13 -2.066 -5.364 -4.749
88 HD1 TYR 13 HD1 TYR 13 -0.117 -2.132 -4.492
89 HD2 TYR 13 HD2 TYR 13 -3.179 -4.385 -6.527
90 HE1 TYR 13 HE1 TYR 13 -0.640 -0.162 -5.862
91 HE2 TYR 13 HE2 TYR 13 -3.748 -2.387 -7.870
92 HH TYR 13 HH TYR 13 -3.445 0.028 -7.967
93 H ILE 14 H ILE 14 0.691 -6.375 -2.516
94 HA ILE 14 HA ILE 14 -1.145 -8.489 -1.926
95 HB ILE 14 HB ILE 14 1.801 -8.075 -1.404
96 1HG1 ILE 14 1HG1 ILE 14 1.006 -8.630 -3.700
97 2HG1 ILE 14 2HG1 ILE 14 2.158 -9.760 -3.014
98 1HG2 ILE 14 1HG2 ILE 14 0.174 -10.451 -0.422
99 2HG2 ILE 14 2HG2 ILE 14 1.940 -10.470 -0.646
100 3HG2 ILE 14 3HG2 ILE 14 1.211 -9.388 0.535
101 1HD1 ILE 14 1HD1 ILE 14 -0.849 -10.235 -3.177
102 2HD1 ILE 14 2HD1 ILE 14 0.386 -10.943 -4.233
103 3HD1 ILE 14 3HD1 ILE 14 0.347 -11.380 -2.531
104 HA PRO 15 HA PRO 15 -0.714 -7.769 2.675
105 1HB PRO 15 1HB PRO 15 0.410 -5.503 3.759
106 2HB PRO 15 2HB PRO 15 1.314 -7.007 3.415
107 1HG PRO 15 2HG PRO 15 2.571 -5.442 2.119
108 2HG PRO 15 1HG PRO 15 1.092 -4.532 1.676
109 1HD PRO 15 1HD PRO 15 1.371 -5.889 -0.252
110 2HD PRO 15 2HD PRO 15 2.001 -7.249 0.711
111 H CYS 16 H CYS 16 -1.079 -4.582 0.909
112 HA CYS 16 HA CYS 16 -3.129 -3.638 2.604
113 1HB CYS 16 1HB CYS 16 -1.992 -2.210 0.999
114 2HB CYS 16 2HB CYS 16 -2.681 -3.121 -0.353
115 H ARG 17 H ARG 17 -3.446 -5.569 -0.486
116 HA ARG 17 HA ARG 17 -6.304 -5.646 -0.217
117 1HB ARG 17 1HB ARG 17 -4.973 -5.975 -2.326
118 2HB ARG 17 2HB ARG 17 -4.530 -7.599 -1.769
119 1HG ARG 17 1HG ARG 17 -7.422 -6.731 -1.877
120 2HG ARG 17 2HG ARG 17 -6.604 -7.126 -3.378
121 1HD ARG 17 1HD ARG 17 -6.560 -9.362 -2.991
122 2HD ARG 17 2HD ARG 17 -6.254 -9.178 -1.259
123 HE ARG 17 HE ARG 17 -8.391 -9.557 -0.871
124 1HH1 ARG 17 1HH1 ARG 17 -8.291 -8.229 -4.148
125 2HH1 ARG 17 2HH1 ARG 17 -10.009 -7.964 -4.261
126 1HH2 ARG 17 1HH2 ARG 17 -10.666 -9.333 -1.067
127 2HH2 ARG 17 2HH2 ARG 17 -11.381 -8.680 -2.495
128 H TYR 18 H TYR 18 -3.655 -7.731 1.042
129 HA TYR 18 HA TYR 18 -5.366 -9.774 2.005
130 1HB TYR 18 1HB TYR 18 -2.745 -9.596 1.905
131 2HB TYR 18 2HB TYR 18 -2.886 -8.920 3.514
132 HD1 TYR 18 HD1 TYR 18 -3.909 -10.414 5.372
133 HD2 TYR 18 HD2 TYR 18 -2.946 -11.880 1.419
134 HE1 TYR 18 HE1 TYR 18 -3.792 -12.720 6.251
135 HE2 TYR 18 HE2 TYR 18 -2.912 -14.185 2.285
136 HH TYR 18 HH TYR 18 -3.324 -14.963 5.770
137 H ILE 19 H ILE 19 -4.315 -6.727 3.530
138 HA ILE 19 HA ILE 19 -5.555 -7.229 6.081
139 HB ILE 19 HB ILE 19 -4.244 -4.816 4.769
140 1HG1 ILE 19 1HG1 ILE 19 -3.203 -6.473 7.102
141 2HG1 ILE 19 2HG1 ILE 19 -2.875 -6.938 5.451
142 1HG2 ILE 19 1HG2 ILE 19 -5.153 -5.054 7.669
143 2HG2 ILE 19 2HG2 ILE 19 -4.132 -3.760 7.010
144 3HG2 ILE 19 3HG2 ILE 19 -5.782 -3.911 6.463
145 1HD1 ILE 19 1HD1 ILE 19 -1.930 -4.557 5.091
146 2HD1 ILE 19 2HD1 ILE 19 -1.942 -4.430 6.866
147 3HD1 ILE 19 3HD1 ILE 19 -0.990 -5.689 6.065
148 H THR 20 H THR 20 -6.267 -4.841 3.455
149 HA THR 20 HA THR 20 -8.719 -4.122 4.892
150 HB THR 20 HB THR 20 -6.718 -2.634 3.976
151 HG1 THR 20 HG1 THR 20 -9.126 -2.148 4.842
152 1HG2 THR 20 1HG2 THR 20 -7.091 -3.118 1.572
153 2HG2 THR 20 2HG2 THR 20 -8.682 -2.337 1.692
154 3HG2 THR 20 3HG2 THR 20 -7.209 -1.400 1.982
155 H GLY 21 H GLY 21 -7.918 -6.168 2.236
156 1HA GLY 21 1HA GLY 21 -9.348 -7.432 0.969
157 2HA GLY 21 2HA GLY 21 -10.733 -6.567 1.628
158 H CYS 22 H CYS 22 -10.163 -3.911 0.921
159 HA CYS 22 HA CYS 22 -10.527 -3.928 -1.960
160 1HB CYS 22 1HB CYS 22 -10.102 -1.643 0.003
161 2HB CYS 22 2HB CYS 22 -10.389 -1.451 -1.731
162 H PHE 23 H PHE 23 -9.233 -2.901 -3.482
163 HA PHE 23 HA PHE 23 -6.319 -3.114 -3.036
164 1HB PHE 23 1HB PHE 23 -6.035 -3.424 -5.296
165 2HB PHE 23 2HB PHE 23 -7.475 -4.347 -4.945
166 HD1 PHE 23 HD1 PHE 23 -9.733 -2.549 -5.147
167 HD2 PHE 23 HD2 PHE 23 -6.071 -2.479 -7.421
168 HE1 PHE 23 HE1 PHE 23 -10.851 -1.227 -6.899
169 HE2 PHE 23 HE2 PHE 23 -7.202 -1.194 -9.190
170 HZ PHE 23 HZ PHE 23 -9.614 -0.547 -8.923
171 H ASN 24 H ASN 24 -6.023 -1.249 -5.374
172 HA ASN 24 HA ASN 24 -5.415 0.823 -5.819
173 1HB ASN 24 1HB ASN 24 -7.868 1.224 -5.796
174 2HB ASN 24 2HB ASN 24 -7.717 1.797 -4.128
175 2HD2 ASN 24 1HD2 ASN 24 -8.627 3.832 -5.140
176 1HD2 ASN 24 2HD2 ASN 24 -7.435 5.001 -5.722
177 H SER 25 H SER 25 -3.706 -0.204 -4.332
178 HA SER 25 HA SER 25 -3.063 1.474 -2.041
179 1HB SER 25 1HB SER 25 -1.186 -0.462 -3.355
180 2HB SER 25 2HB SER 25 -1.305 -0.008 -1.658
181 HG SER 25 HG SER 25 -3.243 -1.182 -1.538
182 H ARG 26 H ARG 26 -1.139 2.810 -2.073
183 HA ARG 26 HA ARG 26 0.068 3.457 -4.656
184 1HB ARG 26 1HB ARG 26 -2.069 4.999 -3.940
185 2HB ARG 26 2HB ARG 26 -0.820 5.797 -2.966
186 1HG ARG 26 1HG ARG 26 0.550 6.056 -5.061
187 2HG ARG 26 2HG ARG 26 -0.788 5.315 -5.957
188 1HD ARG 26 1HD ARG 26 -2.290 7.160 -5.236
189 2HD ARG 26 2HD ARG 26 -0.911 7.953 -4.443
190 HE ARG 26 HE ARG 26 0.068 7.562 -6.928
191 1HH1 ARG 26 1HH1 ARG 26 -2.912 9.234 -5.936
192 2HH1 ARG 26 2HH1 ARG 26 -3.228 9.845 -7.539
193 1HH2 ARG 26 1HH2 ARG 26 -0.184 8.586 -8.847
194 2HH2 ARG 26 2HH2 ARG 26 -1.547 9.578 -9.202
195 H CYS 27 H CYS 27 2.229 3.760 -4.308
196 HA CYS 27 HA CYS 27 3.199 3.919 -1.502
197 1HB CYS 27 1HB CYS 27 4.601 3.313 -4.119
198 2HB CYS 27 2HB CYS 27 5.464 3.711 -2.649
199 H ILE 28 H ILE 28 3.416 5.943 -0.780
200 HA ILE 28 HA ILE 28 3.729 8.199 -2.663
201 HB ILE 28 HB ILE 28 1.712 8.434 -1.463
202 1HG1 ILE 28 1HG1 ILE 28 2.123 10.509 -0.183
203 2HG1 ILE 28 2HG1 ILE 28 3.852 10.192 -0.228
204 1HG2 ILE 28 1HG2 ILE 28 3.181 7.937 1.141
205 2HG2 ILE 28 2HG2 ILE 28 1.519 8.531 0.996
206 3HG2 ILE 28 3HG2 ILE 28 1.924 6.922 0.407
207 1HD1 ILE 28 1HD1 ILE 28 2.092 10.498 -2.708
208 2HD1 ILE 28 2HD1 ILE 28 2.965 11.833 -1.949
209 3HD1 ILE 28 3HD1 ILE 28 3.872 10.483 -2.655
210 H ASN 29 H ASN 29 5.736 8.543 -2.974
211 HA ASN 29 HA ASN 29 7.934 8.707 -2.858
212 1HB ASN 29 1HB ASN 29 7.499 10.457 -1.178
213 2HB ASN 29 2HB ASN 29 7.692 9.269 0.117
214 2HD2 ASN 29 1HD2 ASN 29 9.350 11.702 -0.554
215 1HD2 ASN 29 2HD2 ASN 29 10.969 11.069 -0.759
216 H LYS 30 H LYS 30 7.503 7.183 0.338
217 HA LYS 30 HA LYS 30 8.376 4.581 -0.756
218 1HB LYS 30 1HB LYS 30 10.107 6.324 0.755
219 2HB LYS 30 2HB LYS 30 9.681 5.011 1.829
220 1HG LYS 30 1HG LYS 30 10.426 4.152 -0.941
221 2HG LYS 30 2HG LYS 30 11.687 5.013 -0.072
222 1HD LYS 30 1HD LYS 30 11.724 3.407 1.712
223 2HD LYS 30 2HD LYS 30 10.233 2.646 1.142
224 1HE LYS 30 1HE LYS 30 12.240 1.302 0.560
225 2HE LYS 30 2HE LYS 30 11.302 1.810 -0.852
226 1HZ LYS 30 1HZ LYS 30 13.771 3.170 0.026
227 2HZ LYS 30 2HZ LYS 30 13.670 2.059 -1.189
228 3HZ LYS 30 3HZ LYS 30 12.889 3.463 -1.349
229 H SER 31 H SER 31 6.046 6.224 0.969
230 HA SER 31 HA SER 31 5.681 4.135 3.034
231 1HB SER 31 1HB SER 31 5.591 6.883 3.161
232 2HB SER 31 2HB SER 31 3.889 6.511 2.863
233 HG SER 31 HG SER 31 5.397 6.220 5.069
234 H CYS 32 H CYS 32 3.828 2.729 2.883
235 HA CYS 32 HA CYS 32 2.338 2.753 0.344
236 1HB CYS 32 2HB CYS 32 1.181 0.835 1.253
237 2HB CYS 32 1HB CYS 32 1.796 1.137 2.865
238 H LYS 33 H LYS 33 0.203 3.435 0.115
239 HA LYS 33 HA LYS 33 -1.438 3.919 2.514
240 1HB LYS 33 1HB LYS 33 -0.652 5.994 0.445
241 2HB LYS 33 2HB LYS 33 -2.333 5.934 0.952
242 1HG LYS 33 1HG LYS 33 -0.003 6.331 2.866
243 2HG LYS 33 2HG LYS 33 -1.062 7.591 2.224
244 1HD LYS 33 1HD LYS 33 -3.036 6.240 3.207
245 2HD LYS 33 2HD LYS 33 -1.811 5.319 4.098
246 1HE LYS 33 1HE LYS 33 -0.986 7.453 5.104
247 2HE LYS 33 2HE LYS 33 -2.291 8.321 4.264
248 1HZ LYS 33 1HZ LYS 33 -3.867 6.883 5.468
249 2HZ LYS 33 2HZ LYS 33 -2.605 6.211 6.296
250 3HZ LYS 33 3HZ LYS 33 -2.953 7.788 6.493
251 H CYS 34 H CYS 34 -3.779 3.693 1.908
252 HA CYS 34 HA CYS 34 -4.169 2.623 -0.827
253 1HB CYS 34 1HB CYS 34 -5.209 1.340 1.720
254 2HB CYS 34 2HB CYS 34 -5.706 0.918 0.078
255 H TYR 35 H TYR 35 -6.187 2.926 -1.696
256 HA TYR 35 HA TYR 35 -7.768 5.052 -0.325
257 1HB TYR 35 1HB TYR 35 -6.765 5.000 -3.176
258 2HB TYR 35 2HB TYR 35 -7.877 6.196 -2.504
259 HD1 TYR 35 HD1 TYR 35 -7.172 7.676 -0.600
260 HD2 TYR 35 HD2 TYR 35 -4.385 5.083 -2.643
261 HE1 TYR 35 HE1 TYR 35 -5.311 8.929 0.394
262 HE2 TYR 35 HE2 TYR 35 -2.495 6.362 -1.644
263 HH TYR 35 HH TYR 35 -3.011 9.130 0.564
264 H GLY 36 H GLY 36 -8.194 2.078 -0.750
265 1HA GLY 36 1HA GLY 36 -10.793 2.084 -2.204
266 2HA GLY 36 2HA GLY 36 -9.902 0.674 -1.576
267 H CYS 37 H CYS 37 -11.875 0.091 -0.360
268 HA CYS 37 HA CYS 37 -12.955 1.693 1.740
269 1HB CYS 37 1HB CYS 37 -13.820 -0.420 2.603
270 2HB CYS 37 2HB CYS 37 -14.132 -0.257 0.890
271 H THR 38 H THR 38 -12.692 1.100 4.099
272 HA THR 38 HA THR 38 -9.984 0.292 4.871
273 HB THR 38 HB THR 38 -10.096 2.798 4.519
274 HG1 THR 38 HG1 THR 38 -9.450 1.686 7.019
275 1HG2 THR 38 1HG2 THR 38 -12.374 3.228 5.396
276 2HG2 THR 38 2HG2 THR 38 -11.822 2.783 7.025
277 3HG2 THR 38 3HG2 THR 38 -11.136 4.200 6.206
No H/Q in entry = 277
Start of MODEL 5
1 H1 ASP 1 H1 ASP 1 5.880 2.050 14.635
2 H2 ASP 1 H2 ASP 1 5.697 0.939 15.832
3 H3 ASP 1 H3 ASP 1 6.212 2.470 16.187
4 HA ASP 1 HA ASP 1 8.246 2.171 15.125
5 1HB ASP 1 1HB ASP 1 7.753 -0.338 16.727
6 2HB ASP 1 2HB ASP 1 9.293 0.483 16.470
7 H GLU 2 H GLU 2 7.417 1.827 12.741
8 HA GLU 2 HA GLU 2 8.153 -0.854 11.823
9 1HB GLU 2 1HB GLU 2 5.717 -0.967 12.388
10 2HB GLU 2 2HB GLU 2 5.421 0.412 11.326
11 1HG GLU 2 1HG GLU 2 6.315 -0.972 9.399
12 2HG GLU 2 2HG GLU 2 6.447 -2.341 10.504
13 H ALA 3 H ALA 3 8.852 -0.745 9.657
14 HA ALA 3 HA ALA 3 9.199 1.951 8.460
15 1HB ALA 3 1HB ALA 3 10.331 -0.791 7.719
16 2HB ALA 3 2HB ALA 3 10.686 0.745 6.893
17 3HB ALA 3 3HB ALA 3 11.196 0.499 8.573
18 H ILE 4 H ILE 4 6.927 2.206 8.098
19 HA ILE 4 HA ILE 4 5.380 0.204 6.698
20 HB ILE 4 HB ILE 4 4.529 3.080 7.216
21 1HG1 ILE 4 1HG1 ILE 4 4.302 0.759 9.166
22 2HG1 ILE 4 2HG1 ILE 4 5.390 2.136 9.354
23 1HG2 ILE 4 1HG2 ILE 4 3.123 1.609 5.723
24 2HG2 ILE 4 2HG2 ILE 4 2.977 0.444 7.047
25 3HG2 ILE 4 3HG2 ILE 4 2.268 2.064 7.186
26 1HD1 ILE 4 1HD1 ILE 4 3.445 3.669 9.424
27 2HD1 ILE 4 2HD1 ILE 4 2.372 2.248 9.440
28 3HD1 ILE 4 3HD1 ILE 4 3.514 2.501 10.759
29 H ARG 5 H ARG 5 6.968 0.114 4.951
30 HA ARG 5 HA ARG 5 6.430 2.046 2.785
31 1HB ARG 5 1HB ARG 5 9.167 1.124 3.757
32 2HB ARG 5 2HB ARG 5 8.905 1.997 2.254
33 1HG ARG 5 1HG ARG 5 7.799 3.835 3.777
34 2HG ARG 5 2HG ARG 5 8.600 2.968 5.101
35 1HD ARG 5 1HD ARG 5 10.703 3.134 3.467
36 2HD ARG 5 2HD ARG 5 9.805 4.485 2.771
37 HE ARG 5 HE ARG 5 10.931 4.201 5.501
38 1HH1 ARG 5 1HH1 ARG 5 9.074 6.420 3.415
39 2HH1 ARG 5 2HH1 ARG 5 9.652 7.822 4.279
40 1HH2 ARG 5 1HH2 ARG 5 11.458 5.955 6.619
41 2HH2 ARG 5 2HH2 ARG 5 11.081 7.587 6.079
42 H CYS 6 H CYS 6 7.460 1.327 0.761
43 HA CYS 6 HA CYS 6 7.259 -1.528 0.148
44 1HB CYS 6 1HB CYS 6 5.902 -0.506 -1.905
45 2HB CYS 6 2HB CYS 6 5.119 -1.124 -0.448
46 H THR 7 H THR 7 8.028 -1.848 -2.167
47 HA THR 7 HA THR 7 10.170 0.096 -2.840
48 HB THR 7 HB THR 7 10.109 -2.923 -2.666
49 HG1 THR 7 HG1 THR 7 11.462 -2.615 -1.062
50 1HG2 THR 7 1HG2 THR 7 11.410 -2.192 -4.718
51 2HG2 THR 7 2HG2 THR 7 12.511 -1.336 -3.619
52 3HG2 THR 7 3HG2 THR 7 12.296 -3.091 -3.479
53 H GLY 8 H GLY 8 8.264 -2.628 -4.262
54 1HA GLY 8 1HA GLY 8 8.402 -1.458 -6.938
55 2HA GLY 8 2HA GLY 8 7.402 -2.830 -6.405
56 H THR 9 H THR 9 6.479 -0.635 -8.040
57 HA THR 9 HA THR 9 5.059 1.375 -6.796
58 HB THR 9 HB THR 9 4.128 -0.238 -9.201
59 HG1 THR 9 HG1 THR 9 5.930 1.918 -9.344
60 1HG2 THR 9 1HG2 THR 9 3.935 2.731 -8.538
61 2HG2 THR 9 2HG2 THR 9 3.426 1.975 -10.062
62 3HG2 THR 9 3HG2 THR 9 2.593 1.566 -8.552
63 H LYS 10 H LYS 10 3.838 -1.960 -7.570
64 HA LYS 10 HA LYS 10 1.425 -1.322 -5.994
65 1HB LYS 10 1HB LYS 10 0.354 -3.171 -6.981
66 2HB LYS 10 2HB LYS 10 1.156 -2.252 -8.249
67 1HG LYS 10 1HG LYS 10 2.972 -4.003 -8.267
68 2HG LYS 10 2HG LYS 10 2.110 -4.876 -6.997
69 1HD LYS 10 1HD LYS 10 1.605 -5.905 -9.094
70 2HD LYS 10 2HD LYS 10 0.137 -5.102 -8.536
71 1HE LYS 10 1HE LYS 10 0.358 -3.333 -10.129
72 2HE LYS 10 2HE LYS 10 2.075 -3.695 -10.403
73 1HZ LYS 10 1HZ LYS 10 -0.120 -5.481 -11.259
74 2HZ LYS 10 2HZ LYS 10 0.734 -4.437 -12.230
75 3HZ LYS 10 3HZ LYS 10 1.486 -5.688 -11.511
76 H ASP 11 H ASP 11 4.279 -2.222 -4.910
77 HA ASP 11 HA ASP 11 4.158 -4.739 -3.775
78 1HB ASP 11 1HB ASP 11 5.498 -2.178 -3.014
79 2HB ASP 11 2HB ASP 11 5.420 -3.402 -1.761
80 H CYS 12 H CYS 12 3.074 -1.743 -2.141
81 HA CYS 12 HA CYS 12 2.164 -3.257 0.127
82 1HB CYS 12 1HB CYS 12 3.050 -0.766 -0.202
83 2HB CYS 12 2HB CYS 12 1.333 -0.411 -0.147
84 H TYR 13 H TYR 13 0.668 -3.299 -2.783
85 HA TYR 13 HA TYR 13 -2.088 -2.715 -2.147
86 1HB TYR 13 1HB TYR 13 -0.807 -4.711 -4.059
87 2HB TYR 13 2HB TYR 13 -2.530 -4.581 -3.819
88 HD1 TYR 13 HD1 TYR 13 -0.528 -1.401 -3.994
89 HD2 TYR 13 HD2 TYR 13 -2.860 -4.344 -6.129
90 HE1 TYR 13 HE1 TYR 13 -0.577 0.065 -5.953
91 HE2 TYR 13 HE2 TYR 13 -2.968 -2.883 -8.067
92 HH TYR 13 HH TYR 13 -2.339 -0.888 -8.964
93 H ILE 14 H ILE 14 -0.010 -5.611 -1.877
94 HA ILE 14 HA ILE 14 -1.942 -7.451 -1.112
95 HB ILE 14 HB ILE 14 1.057 -7.396 -0.569
96 1HG1 ILE 14 2HG1 ILE 14 -0.700 -8.515 -2.773
97 2HG1 ILE 14 1HG1 ILE 14 0.805 -9.326 -2.354
98 1HG2 ILE 14 1HG2 ILE 14 -0.911 -9.692 -0.200
99 2HG2 ILE 14 2HG2 ILE 14 0.862 -9.819 -0.150
100 3HG2 ILE 14 3HG2 ILE 14 0.024 -8.891 1.084
101 1HD1 ILE 14 1HD1 ILE 14 2.083 -7.264 -2.793
102 2HD1 ILE 14 2HD1 ILE 14 1.228 -7.901 -4.204
103 3HD1 ILE 14 3HD1 ILE 14 0.593 -6.480 -3.372
104 HA PRO 15 HA PRO 15 -1.168 -6.810 3.527
105 1HB PRO 15 1HB PRO 15 0.022 -4.500 4.470
106 2HB PRO 15 2HB PRO 15 0.869 -6.045 4.166
107 1HG PRO 15 2HG PRO 15 2.107 -4.599 2.730
108 2HG PRO 15 1HG PRO 15 0.638 -3.648 2.328
109 1HD PRO 15 1HD PRO 15 0.813 -5.093 0.447
110 2HD PRO 15 2HD PRO 15 1.370 -6.453 1.458
111 H CYS 16 H CYS 16 -1.624 -3.626 1.833
112 HA CYS 16 HA CYS 16 -3.666 -2.628 3.525
113 1HB CYS 16 1HB CYS 16 -2.671 -1.272 1.817
114 2HB CYS 16 2HB CYS 16 -3.231 -2.356 0.548
115 H ARG 17 H ARG 17 -3.946 -4.726 0.590
116 HA ARG 17 HA ARG 17 -6.765 -5.064 0.798
117 1HB ARG 17 1HB ARG 17 -5.458 -5.477 -1.232
118 2HB ARG 17 2HB ARG 17 -4.619 -6.823 -0.450
119 1HG ARG 17 1HG ARG 17 -6.707 -8.094 -0.303
120 2HG ARG 17 2HG ARG 17 -7.627 -6.718 -0.964
121 1HD ARG 17 1HD ARG 17 -6.503 -6.861 -3.075
122 2HD ARG 17 2HD ARG 17 -5.277 -7.968 -2.428
123 HE ARG 17 HE ARG 17 -7.946 -9.028 -2.182
124 1HH1 ARG 17 1HH1 ARG 17 -5.354 -8.485 -4.619
125 2HH1 ARG 17 2HH1 ARG 17 -5.722 -9.979 -5.454
126 1HH2 ARG 17 1HH2 ARG 17 -8.397 -10.946 -3.405
127 2HH2 ARG 17 2HH2 ARG 17 -7.492 -11.332 -4.815
128 H TYR 18 H TYR 18 -4.030 -6.825 2.328
129 HA TYR 18 HA TYR 18 -5.658 -8.829 3.520
130 1HB TYR 18 1HB TYR 18 -2.941 -8.238 3.468
131 2HB TYR 18 2HB TYR 18 -3.348 -7.919 5.141
132 HD1 TYR 18 HD1 TYR 18 -3.361 -10.441 2.407
133 HD2 TYR 18 HD2 TYR 18 -3.823 -9.797 6.659
134 HE1 TYR 18 HE1 TYR 18 -3.208 -12.881 2.793
135 HE2 TYR 18 HE2 TYR 18 -3.612 -12.217 7.051
136 HH TYR 18 HH TYR 18 -3.240 -14.316 6.096
137 H ILE 19 H ILE 19 -4.840 -5.518 4.576
138 HA ILE 19 HA ILE 19 -6.069 -5.783 7.189
139 HB ILE 19 HB ILE 19 -4.935 -3.462 5.582
140 1HG1 ILE 19 1HG1 ILE 19 -3.732 -4.635 8.112
141 2HG1 ILE 19 2HG1 ILE 19 -3.429 -5.411 6.572
142 1HG2 ILE 19 1HG2 ILE 19 -5.889 -3.434 8.472
143 2HG2 ILE 19 2HG2 ILE 19 -4.892 -2.164 7.739
144 3HG2 ILE 19 3HG2 ILE 19 -6.512 -2.448 7.135
145 1HD1 ILE 19 1HD1 ILE 19 -2.551 -3.247 5.646
146 2HD1 ILE 19 2HD1 ILE 19 -2.721 -2.532 7.256
147 3HD1 ILE 19 3HD1 ILE 19 -1.610 -3.889 6.999
148 H THR 20 H THR 20 -7.056 -4.244 4.113
149 HA THR 20 HA THR 20 -9.635 -3.410 5.327
150 HB THR 20 HB THR 20 -7.674 -1.897 4.346
151 HG1 THR 20 HG1 THR 20 -9.238 -0.801 5.113
152 1HG2 THR 20 1HG2 THR 20 -7.770 -2.888 2.037
153 2HG2 THR 20 2HG2 THR 20 -9.415 -2.239 1.883
154 3HG2 THR 20 3HG2 THR 20 -8.032 -1.148 2.090
155 H GLY 21 H GLY 21 -8.439 -5.743 3.051
156 1HA GLY 21 1HA GLY 21 -9.626 -7.229 1.796
157 2HA GLY 21 2HA GLY 21 -11.111 -6.343 2.085
158 H CYS 22 H CYS 22 -8.936 -4.004 0.976
159 HA CYS 22 HA CYS 22 -9.762 -4.405 -1.867
160 1HB CYS 22 1HB CYS 22 -9.807 -1.808 -0.304
161 2HB CYS 22 2HB CYS 22 -10.371 -2.067 -1.945
162 H PHE 23 H PHE 23 -8.318 -3.631 -3.438
163 HA PHE 23 HA PHE 23 -5.538 -3.434 -2.483
164 1HB PHE 23 2HB PHE 23 -5.948 -5.080 -4.150
165 2HB PHE 23 1HB PHE 23 -4.930 -3.839 -4.819
166 HD1 PHE 23 HD1 PHE 23 -8.290 -5.416 -4.941
167 HD2 PHE 23 HD2 PHE 23 -5.681 -2.475 -6.737
168 HE1 PHE 23 HE1 PHE 23 -9.863 -5.147 -6.823
169 HE2 PHE 23 HE2 PHE 23 -7.316 -2.159 -8.564
170 HZ PHE 23 HZ PHE 23 -9.405 -3.501 -8.624
171 H ASN 24 H ASN 24 -6.594 -1.144 -1.658
172 HA ASN 24 HA ASN 24 -5.697 0.891 -3.692
173 1HB ASN 24 1HB ASN 24 -7.886 1.238 -1.654
174 2HB ASN 24 2HB ASN 24 -7.177 2.520 -2.647
175 2HD2 ASN 24 1HD2 ASN 24 -9.923 1.136 -2.536
176 1HD2 ASN 24 2HD2 ASN 24 -10.299 0.858 -4.240
177 H SER 25 H SER 25 -3.624 0.711 -3.038
178 HA SER 25 HA SER 25 -2.915 1.750 -0.369
179 1HB SER 25 1HB SER 25 -2.705 -0.830 -0.813
180 2HB SER 25 2HB SER 25 -1.283 -0.380 -1.741
181 HG SER 25 HG SER 25 -0.847 -0.879 0.419
182 H ARG 26 H ARG 26 -2.242 3.760 -1.012
183 HA ARG 26 HA ARG 26 -0.807 4.136 -3.579
184 1HB ARG 26 1HB ARG 26 -2.364 5.907 -2.895
185 2HB ARG 26 2HB ARG 26 -1.461 6.116 -1.377
186 1HG ARG 26 1HG ARG 26 0.510 6.830 -2.518
187 2HG ARG 26 2HG ARG 26 -0.222 6.537 -4.098
188 1HD ARG 26 1HD ARG 26 -1.513 8.436 -2.100
189 2HD ARG 26 2HD ARG 26 -0.150 8.968 -3.083
190 HE ARG 26 HE ARG 26 -1.419 8.305 -5.100
191 1HH1 ARG 26 1HH1 ARG 26 -3.314 9.277 -2.215
192 2HH1 ARG 26 2HH1 ARG 26 -4.449 10.179 -3.167
193 1HH2 ARG 26 1HH2 ARG 26 -3.031 9.103 -6.253
194 2HH2 ARG 26 2HH2 ARG 26 -4.431 9.884 -5.546
195 H CYS 27 H CYS 27 1.306 3.738 -3.634
196 HA CYS 27 HA CYS 27 2.975 3.774 -1.172
197 1HB CYS 27 1HB CYS 27 3.229 2.595 -3.949
198 2HB CYS 27 2HB CYS 27 4.670 2.938 -2.983
199 H ILE 28 H ILE 28 3.421 5.960 -0.777
200 HA ILE 28 HA ILE 28 4.471 7.600 -3.018
201 HB ILE 28 HB ILE 28 2.207 8.304 -2.742
202 1HG1 ILE 28 2HG1 ILE 28 4.043 10.325 -1.408
203 2HG1 ILE 28 1HG1 ILE 28 2.442 10.667 -2.061
204 1HG2 ILE 28 1HG2 ILE 28 1.753 7.457 -0.430
205 2HG2 ILE 28 2HG2 ILE 28 2.723 8.799 0.215
206 3HG2 ILE 28 3HG2 ILE 28 1.224 9.123 -0.669
207 1HD1 ILE 28 1HD1 ILE 28 3.205 10.005 -4.324
208 2HD1 ILE 28 2HD1 ILE 28 4.115 11.368 -3.651
209 3HD1 ILE 28 3HD1 ILE 28 4.849 9.757 -3.683
210 H ASN 29 H ASN 29 6.350 8.653 -2.524
211 HA ASN 29 HA ASN 29 8.349 8.927 -1.468
212 1HB ASN 29 1HB ASN 29 6.856 10.532 -0.120
213 2HB ASN 29 2HB ASN 29 6.884 9.335 1.163
214 2HD2 ASN 29 1HD2 ASN 29 9.366 8.490 1.507
215 1HD2 ASN 29 2HD2 ASN 29 10.589 9.752 1.548
216 H LYS 30 H LYS 30 7.722 6.427 -2.010
217 HA LYS 30 HA LYS 30 7.766 4.197 -1.559
218 1HB LYS 30 1HB LYS 30 10.066 5.360 -0.017
219 2HB LYS 30 2HB LYS 30 9.559 3.764 0.482
220 1HG LYS 30 1HG LYS 30 9.581 3.243 -2.122
221 2HG LYS 30 2HG LYS 30 10.694 4.620 -2.161
222 1HD LYS 30 1HD LYS 30 12.215 3.473 -0.601
223 2HD LYS 30 2HD LYS 30 10.993 2.213 -0.295
224 1HE LYS 30 1HE LYS 30 11.019 1.793 -2.832
225 2HE LYS 30 2HE LYS 30 12.501 2.737 -2.874
226 1HZ LYS 30 1HZ LYS 30 12.110 0.220 -1.344
227 2HZ LYS 30 2HZ LYS 30 12.971 0.458 -2.737
228 3HZ LYS 30 3HZ LYS 30 13.508 1.153 -1.389
229 H SER 31 H SER 31 6.082 6.051 0.583
230 HA SER 31 HA SER 31 5.871 3.979 2.676
231 1HB SER 31 1HB SER 31 4.908 6.837 2.697
232 2HB SER 31 2HB SER 31 5.101 5.738 4.081
233 HG SER 31 HG SER 31 7.163 6.686 2.346
234 H CYS 32 H CYS 32 3.868 3.163 3.282
235 HA CYS 32 HA CYS 32 1.979 3.054 1.044
236 1HB CYS 32 2HB CYS 32 0.970 1.271 2.209
237 2HB CYS 32 1HB CYS 32 1.690 1.716 3.747
238 H LYS 33 H LYS 33 -0.062 3.872 1.033
239 HA LYS 33 HA LYS 33 -1.354 4.850 3.552
240 1HB LYS 33 1HB LYS 33 -1.213 6.141 0.790
241 2HB LYS 33 2HB LYS 33 -2.464 6.558 1.955
242 1HG LYS 33 1HG LYS 33 0.528 6.900 2.450
243 2HG LYS 33 2HG LYS 33 -0.555 8.159 1.845
244 1HD LYS 33 1HD LYS 33 -1.960 7.935 3.899
245 2HD LYS 33 2HD LYS 33 -0.785 6.754 4.536
246 1HE LYS 33 1HE LYS 33 0.999 8.476 4.309
247 2HE LYS 33 2HE LYS 33 -0.218 9.661 3.811
248 1HZ LYS 33 1HZ LYS 33 -0.210 8.236 6.405
249 2HZ LYS 33 2HZ LYS 33 0.316 9.781 6.185
250 3HZ LYS 33 3HZ LYS 33 -1.272 9.386 5.980
251 H CYS 34 H CYS 34 -3.093 3.423 3.869
252 HA CYS 34 HA CYS 34 -4.111 1.967 1.489
253 1HB CYS 34 1HB CYS 34 -3.296 0.733 3.498
254 2HB CYS 34 2HB CYS 34 -4.524 1.530 4.468
255 H TYR 35 H TYR 35 -6.296 2.226 0.868
256 HA TYR 35 HA TYR 35 -7.750 4.494 2.207
257 1HB TYR 35 1HB TYR 35 -7.571 3.699 -0.710
258 2HB TYR 35 2HB TYR 35 -8.647 4.916 -0.067
259 HD1 TYR 35 HD1 TYR 35 -4.997 4.128 -0.323
260 HD2 TYR 35 HD2 TYR 35 -8.044 7.168 0.075
261 HE1 TYR 35 HE1 TYR 35 -3.293 5.870 -0.467
262 HE2 TYR 35 HE2 TYR 35 -6.321 8.922 -0.146
263 HH TYR 35 HH TYR 35 -3.885 9.190 0.249
264 H GLY 36 H GLY 36 -8.179 1.117 1.521
265 1HA GLY 36 1HA GLY 36 -10.137 -0.142 1.939
266 2HA GLY 36 2HA GLY 36 -11.017 1.349 2.263
267 H CYS 37 H CYS 37 -12.588 -0.065 0.808
268 HA CYS 37 HA CYS 37 -12.051 0.135 -2.093
269 1HB CYS 37 1HB CYS 37 -14.377 -0.872 -0.443
270 2HB CYS 37 2HB CYS 37 -14.547 -0.506 -2.155
271 H THR 38 H THR 38 -11.962 2.251 -2.823
272 HA THR 38 HA THR 38 -14.187 4.018 -2.436
273 HB THR 38 HB THR 38 -12.801 4.105 -0.310
274 HG1 THR 38 HG1 THR 38 -12.556 6.599 -1.519
275 1HG2 THR 38 1HG2 THR 38 -10.660 5.265 -2.116
276 2HG2 THR 38 2HG2 THR 38 -10.715 5.416 -0.349
277 3HG2 THR 38 3HG2 THR 38 -10.558 3.817 -1.106
No H/Q in entry = 277
Start of MODEL 6
1 H1 ASP 1 H1 ASP 1 8.208 0.666 16.551
2 H2 ASP 1 H2 ASP 1 9.840 0.470 16.396
3 H3 ASP 1 H3 ASP 1 9.242 1.696 17.323
4 HA ASP 1 HA ASP 1 8.335 2.796 15.491
5 1HB ASP 1 1HB ASP 1 11.019 2.646 16.056
6 2HB ASP 1 2HB ASP 1 11.017 2.256 14.335
7 H GLU 2 H GLU 2 7.153 2.543 13.647
8 HA GLU 2 HA GLU 2 7.564 0.195 11.888
9 1HB GLU 2 1HB GLU 2 5.511 0.606 14.003
10 2HB GLU 2 2HB GLU 2 4.788 0.344 12.449
11 1HG GLU 2 1HG GLU 2 6.905 -1.509 13.601
12 2HG GLU 2 2HG GLU 2 5.170 -1.724 13.847
13 H ALA 3 H ALA 3 6.226 0.303 9.973
14 HA ALA 3 HA ALA 3 4.456 2.336 9.247
15 1HB ALA 3 2HB ALA 3 5.806 3.462 7.466
16 2HB ALA 3 1HB ALA 3 7.268 2.648 8.066
17 3HB ALA 3 3HB ALA 3 6.428 3.837 9.081
18 H ILE 4 H ILE 4 3.504 1.745 7.235
19 HA ILE 4 HA ILE 4 4.482 -0.790 6.003
20 HB ILE 4 HB ILE 4 1.849 0.627 5.471
21 1HG1 ILE 4 1HG1 ILE 4 2.416 -1.730 7.319
22 2HG1 ILE 4 2HG1 ILE 4 1.864 -0.127 7.812
23 1HG2 ILE 4 1HG2 ILE 4 2.880 -0.948 3.708
24 2HG2 ILE 4 2HG2 ILE 4 2.641 -2.251 4.874
25 3HG2 ILE 4 3HG2 ILE 4 1.252 -1.347 4.241
26 1HD1 ILE 4 1HD1 ILE 4 -0.242 -0.468 6.515
27 2HD1 ILE 4 2HD1 ILE 4 0.273 -2.141 6.178
28 3HD1 ILE 4 3HD1 ILE 4 -0.021 -1.620 7.838
29 H ARG 5 H ARG 5 5.999 -0.293 4.538
30 HA ARG 5 HA ARG 5 5.657 2.046 2.755
31 1HB ARG 5 1HB ARG 5 8.132 2.462 2.994
32 2HB ARG 5 2HB ARG 5 7.165 2.858 4.419
33 1HG ARG 5 1HG ARG 5 7.885 0.771 5.516
34 2HG ARG 5 2HG ARG 5 8.775 0.293 4.057
35 1HD ARG 5 1HD ARG 5 10.172 2.360 4.290
36 2HD ARG 5 2HD ARG 5 9.308 2.735 5.787
37 HE ARG 5 HE ARG 5 10.111 0.636 6.739
38 1HH1 ARG 5 1HH1 ARG 5 11.812 1.408 3.757
39 2HH1 ARG 5 2HH1 ARG 5 13.395 1.031 4.368
40 1HH2 ARG 5 1HH2 ARG 5 12.115 -0.144 7.480
41 2HH2 ARG 5 2HH2 ARG 5 13.562 0.086 6.567
42 H CYS 6 H CYS 6 6.955 1.811 0.730
43 HA CYS 6 HA CYS 6 7.318 -1.084 0.041
44 1HB CYS 6 1HB CYS 6 6.101 -0.358 -2.131
45 2HB CYS 6 2HB CYS 6 5.168 -0.764 -0.699
46 H THR 7 H THR 7 8.661 -1.589 -1.619
47 HA THR 7 HA THR 7 10.544 0.497 -2.430
48 HB THR 7 HB THR 7 11.187 -1.825 -1.730
49 HG1 THR 7 HG1 THR 7 12.488 -0.376 -3.001
50 1HG2 THR 7 1HG2 THR 7 9.484 -3.129 -3.010
51 2HG2 THR 7 2HG2 THR 7 10.271 -2.638 -4.521
52 3HG2 THR 7 3HG2 THR 7 11.139 -3.633 -3.351
53 H GLY 8 H GLY 8 7.716 -1.106 -3.869
54 1HA GLY 8 1HA GLY 8 7.772 0.764 -6.108
55 2HA GLY 8 2HA GLY 8 7.859 -0.963 -6.516
56 H THR 9 H THR 9 5.629 0.579 -7.291
57 HA THR 9 HA THR 9 3.563 0.953 -5.537
58 HB THR 9 HB THR 9 3.426 0.160 -8.456
59 HG1 THR 9 HG1 THR 9 4.518 2.093 -8.027
60 1HG2 THR 9 1HG2 THR 9 1.279 1.245 -6.565
61 2HG2 THR 9 2HG2 THR 9 1.189 1.362 -8.329
62 3HG2 THR 9 3HG2 THR 9 1.207 -0.222 -7.566
63 H LYS 10 H LYS 10 4.020 -2.144 -7.358
64 HA LYS 10 HA LYS 10 1.738 -3.263 -5.888
65 1HB LYS 10 1HB LYS 10 3.347 -4.479 -8.162
66 2HB LYS 10 2HB LYS 10 1.835 -5.084 -7.459
67 1HG LYS 10 1HG LYS 10 0.896 -2.699 -7.949
68 2HG LYS 10 2HG LYS 10 2.272 -2.521 -9.039
69 1HD LYS 10 1HD LYS 10 1.462 -4.392 -10.404
70 2HD LYS 10 2HD LYS 10 0.168 -4.716 -9.212
71 1HE LYS 10 1HE LYS 10 -0.661 -2.376 -9.531
72 2HE LYS 10 2HE LYS 10 0.540 -2.133 -10.806
73 1HZ LYS 10 1HZ LYS 10 -1.593 -4.187 -10.921
74 2HZ LYS 10 2HZ LYS 10 -1.708 -2.690 -11.566
75 3HZ LYS 10 3HZ LYS 10 -0.566 -3.752 -12.130
76 H ASP 11 H ASP 11 4.541 -2.722 -4.656
77 HA ASP 11 HA ASP 11 5.408 -5.325 -3.698
78 1HB ASP 11 1HB ASP 11 6.885 -3.360 -3.798
79 2HB ASP 11 2HB ASP 11 5.828 -2.506 -2.666
80 H CYS 12 H CYS 12 3.974 -2.598 -1.779
81 HA CYS 12 HA CYS 12 2.918 -4.491 0.115
82 1HB CYS 12 2HB CYS 12 3.778 -2.406 0.883
83 2HB CYS 12 1HB CYS 12 2.088 -2.550 1.317
84 H TYR 13 H TYR 13 1.689 -4.156 -2.815
85 HA TYR 13 HA TYR 13 -1.044 -3.475 -2.639
86 1HB TYR 13 1HB TYR 13 0.662 -5.118 -4.431
87 2HB TYR 13 2HB TYR 13 -0.969 -5.712 -4.300
88 HD1 TYR 13 HD1 TYR 13 0.049 -2.078 -4.249
89 HD2 TYR 13 HD2 TYR 13 -1.799 -5.301 -6.451
90 HE1 TYR 13 HE1 TYR 13 -0.733 -0.476 -5.933
91 HE2 TYR 13 HE2 TYR 13 -2.608 -3.706 -8.130
92 HH TYR 13 HH TYR 13 -2.058 -0.183 -7.831
93 H ILE 14 H ILE 14 0.472 -6.686 -2.079
94 HA ILE 14 HA ILE 14 -1.941 -7.961 -1.342
95 HB ILE 14 HB ILE 14 0.876 -8.811 -0.598
96 1HG1 ILE 14 1HG1 ILE 14 0.730 -8.511 -3.020
97 2HG1 ILE 14 2HG1 ILE 14 0.931 -10.191 -2.552
98 1HG2 ILE 14 1HG2 ILE 14 -1.757 -10.323 -0.663
99 2HG2 ILE 14 2HG2 ILE 14 -0.168 -11.097 -0.567
100 3HG2 ILE 14 3HG2 ILE 14 -0.697 -10.031 0.731
101 1HD1 ILE 14 1HD1 ILE 14 -1.692 -8.921 -3.397
102 2HD1 ILE 14 2HD1 ILE 14 -0.646 -9.924 -4.418
103 3HD1 ILE 14 3HD1 ILE 14 -1.440 -10.630 -3.003
104 HA PRO 15 HA PRO 15 -0.882 -7.532 3.266
105 1HB PRO 15 1HB PRO 15 0.826 -5.546 4.161
106 2HB PRO 15 2HB PRO 15 1.263 -7.259 3.870
107 1HG PRO 15 2HG PRO 15 2.797 -6.181 2.405
108 2HG PRO 15 1HG PRO 15 1.610 -4.897 2.014
109 1HD PRO 15 1HD PRO 15 1.387 -6.342 0.136
110 2HD PRO 15 2HD PRO 15 1.645 -7.793 1.143
111 H CYS 16 H CYS 16 -0.758 -4.416 1.395
112 HA CYS 16 HA CYS 16 -2.359 -3.015 3.276
113 1HB CYS 16 1HB CYS 16 -1.073 -1.931 1.377
114 2HB CYS 16 2HB CYS 16 -2.385 -2.453 0.296
115 H ARG 17 H ARG 17 -3.274 -4.897 0.308
116 HA ARG 17 HA ARG 17 -6.093 -4.520 0.637
117 1HB ARG 17 1HB ARG 17 -4.879 -5.387 -1.429
118 2HB ARG 17 2HB ARG 17 -4.686 -6.933 -0.587
119 1HG ARG 17 1HG ARG 17 -7.249 -6.915 -0.313
120 2HG ARG 17 2HG ARG 17 -7.270 -5.535 -1.411
121 1HD ARG 17 1HD ARG 17 -6.100 -8.288 -2.034
122 2HD ARG 17 2HD ARG 17 -7.716 -7.766 -2.481
123 HE ARG 17 HE ARG 17 -6.861 -6.204 -4.013
124 1HH1 ARG 17 1HH1 ARG 17 -4.325 -8.459 -2.839
125 2HH1 ARG 17 2HH1 ARG 17 -3.212 -7.927 -4.070
126 1HH2 ARG 17 1HH2 ARG 17 -5.353 -5.765 -5.701
127 2HH2 ARG 17 2HH2 ARG 17 -3.770 -6.532 -5.649
128 H TYR 18 H TYR 18 -3.800 -6.932 1.992
129 HA TYR 18 HA TYR 18 -5.718 -8.576 3.256
130 1HB TYR 18 1HB TYR 18 -2.854 -8.239 3.317
131 2HB TYR 18 2HB TYR 18 -3.407 -8.301 4.971
132 HD1 TYR 18 HD1 TYR 18 -4.854 -10.266 5.722
133 HD2 TYR 18 HD2 TYR 18 -2.711 -10.196 1.976
134 HE1 TYR 18 HE1 TYR 18 -5.056 -12.718 5.564
135 HE2 TYR 18 HE2 TYR 18 -2.903 -12.660 1.813
136 HH TYR 18 HH TYR 18 -5.103 -14.422 3.822
137 H ILE 19 H ILE 19 -3.935 -5.752 4.643
138 HA ILE 19 HA ILE 19 -5.402 -5.914 7.101
139 HB ILE 19 HB ILE 19 -3.674 -3.734 5.889
140 1HG1 ILE 19 1HG1 ILE 19 -2.972 -5.613 8.185
141 2HG1 ILE 19 2HG1 ILE 19 -2.692 -6.085 6.519
142 1HG2 ILE 19 1HG2 ILE 19 -4.750 -3.960 8.739
143 2HG2 ILE 19 2HG2 ILE 19 -3.512 -2.791 8.207
144 3HG2 ILE 19 3HG2 ILE 19 -5.143 -2.694 7.575
145 1HD1 ILE 19 1HD1 ILE 19 -1.258 -4.120 6.142
146 2HD1 ILE 19 2HD1 ILE 19 -1.467 -3.644 7.840
147 3HD1 ILE 19 3HD1 ILE 19 -0.659 -5.166 7.440
148 H THR 20 H THR 20 -5.701 -3.594 4.343
149 HA THR 20 HA THR 20 -7.939 -2.290 5.667
150 HB THR 20 HB THR 20 -5.838 -1.451 4.169
151 HG1 THR 20 HG1 THR 20 -8.312 -0.133 4.527
152 1HG2 THR 20 1HG2 THR 20 -6.805 -2.303 2.025
153 2HG2 THR 20 2HG2 THR 20 -8.128 -1.133 2.218
154 3HG2 THR 20 3HG2 THR 20 -6.458 -0.571 2.055
155 H GLY 21 H GLY 21 -7.730 -5.019 3.634
156 1HA GLY 21 1HA GLY 21 -9.323 -6.323 2.720
157 2HA GLY 21 2HA GLY 21 -10.570 -5.158 3.154
158 H CYS 22 H CYS 22 -9.851 -2.943 1.932
159 HA CYS 22 HA CYS 22 -10.763 -3.288 -0.738
160 1HB CYS 22 2HB CYS 22 -10.872 -0.829 -0.633
161 2HB CYS 22 1HB CYS 22 -9.828 -0.819 0.778
162 H PHE 23 H PHE 23 -9.873 -2.271 -2.632
163 HA PHE 23 HA PHE 23 -6.995 -2.721 -2.900
164 1HB PHE 23 2HB PHE 23 -8.842 -3.698 -4.387
165 2HB PHE 23 1HB PHE 23 -7.345 -3.132 -5.079
166 HD1 PHE 23 HD1 PHE 23 -10.330 -0.955 -4.213
167 HD2 PHE 23 HD2 PHE 23 -7.919 -2.756 -7.313
168 HE1 PHE 23 HE1 PHE 23 -11.494 0.398 -5.916
169 HE2 PHE 23 HE2 PHE 23 -9.090 -1.395 -8.999
170 HZ PHE 23 HZ PHE 23 -10.884 0.198 -8.311
171 H ASN 24 H ASN 24 -6.855 -1.049 -5.304
172 HA ASN 24 HA ASN 24 -5.824 0.852 -5.932
173 1HB ASN 24 1HB ASN 24 -8.164 1.604 -5.915
174 2HB ASN 24 2HB ASN 24 -7.970 2.155 -4.250
175 2HD2 ASN 24 1HD2 ASN 24 -8.715 4.207 -5.335
176 1HD2 ASN 24 2HD2 ASN 24 -7.552 5.275 -6.070
177 H SER 25 H SER 25 -4.134 -0.149 -4.526
178 HA SER 25 HA SER 25 -3.279 1.489 -2.242
179 1HB SER 25 1HB SER 25 -1.928 -0.840 -3.636
180 2HB SER 25 2HB SER 25 -1.503 -0.160 -2.058
181 HG SER 25 HG SER 25 -3.569 -0.846 -1.319
182 H ARG 26 H ARG 26 -1.551 2.912 -2.372
183 HA ARG 26 HA ARG 26 -0.126 3.271 -4.938
184 1HB ARG 26 1HB ARG 26 -1.903 4.893 -4.972
185 2HB ARG 26 2HB ARG 26 -1.663 5.314 -3.272
186 1HG ARG 26 1HG ARG 26 0.527 6.307 -3.801
187 2HG ARG 26 2HG ARG 26 0.319 5.908 -5.514
188 1HD ARG 26 1HD ARG 26 -1.659 7.606 -3.937
189 2HD ARG 26 2HD ARG 26 -0.248 8.313 -4.706
190 HE ARG 26 HE ARG 26 -2.646 7.196 -5.993
191 1HH1 ARG 26 1HH1 ARG 26 0.713 8.297 -6.569
192 2HH1 ARG 26 2HH1 ARG 26 0.407 8.760 -8.215
193 1HH2 ARG 26 1HH2 ARG 26 -3.050 7.994 -8.156
194 2HH2 ARG 26 2HH2 ARG 26 -1.814 8.832 -9.001
195 H CYS 27 H CYS 27 1.929 3.815 -4.645
196 HA CYS 27 HA CYS 27 3.100 3.842 -1.913
197 1HB CYS 27 1HB CYS 27 4.199 3.235 -4.678
198 2HB CYS 27 2HB CYS 27 5.245 3.575 -3.290
199 H ILE 28 H ILE 28 3.249 5.858 -1.154
200 HA ILE 28 HA ILE 28 3.998 8.093 -2.931
201 HB ILE 28 HB ILE 28 1.638 8.251 -2.910
202 1HG1 ILE 28 1HG1 ILE 28 1.135 10.302 -1.659
203 2HG1 ILE 28 2HG1 ILE 28 2.648 10.157 -0.766
204 1HG2 ILE 28 1HG2 ILE 28 1.025 6.720 -1.105
205 2HG2 ILE 28 2HG2 ILE 28 1.592 7.894 0.099
206 3HG2 ILE 28 3HG2 ILE 28 0.207 8.274 -0.943
207 1HD1 ILE 28 1HD1 ILE 28 2.403 10.465 -3.798
208 2HD1 ILE 28 2HD1 ILE 28 2.742 11.782 -2.656
209 3HD1 ILE 28 3HD1 ILE 28 3.914 10.470 -2.855
210 H ASN 29 H ASN 29 5.609 9.182 -2.069
211 HA ASN 29 HA ASN 29 7.435 9.485 -0.793
212 1HB ASN 29 1HB ASN 29 5.970 11.198 0.188
213 2HB ASN 29 2HB ASN 29 5.405 10.035 1.399
214 2HD2 ASN 29 1HD2 ASN 29 6.532 10.349 3.369
215 1HD2 ASN 29 2HD2 ASN 29 8.215 10.841 3.460
216 H LYS 30 H LYS 30 7.529 7.027 -1.197
217 HA LYS 30 HA LYS 30 8.030 4.930 -0.583
218 1HB LYS 30 1HB LYS 30 9.238 6.697 1.406
219 2HB LYS 30 2HB LYS 30 8.876 5.148 2.130
220 1HG LYS 30 1HG LYS 30 10.325 5.341 -0.526
221 2HG LYS 30 2HG LYS 30 11.166 5.585 1.008
222 1HD LYS 30 1HD LYS 30 10.546 3.371 1.801
223 2HD LYS 30 2HD LYS 30 9.540 3.100 0.381
224 1HE LYS 30 2HE LYS 30 11.532 3.227 -1.087
225 2HE LYS 30 1HE LYS 30 11.649 1.927 0.107
226 1HZ LYS 30 1HZ LYS 30 13.077 3.376 1.444
227 2HZ LYS 30 2HZ LYS 30 13.707 3.090 -0.027
228 3HZ LYS 30 3HZ LYS 30 13.019 4.556 0.312
229 H SER 31 H SER 31 5.399 6.390 1.096
230 HA SER 31 HA SER 31 4.966 4.027 2.807
231 1HB SER 31 1HB SER 31 3.408 6.602 2.732
232 2HB SER 31 2HB SER 31 3.544 5.447 4.056
233 HG SER 31 HG SER 31 5.792 6.901 3.042
234 H CYS 32 H CYS 32 2.914 3.015 2.855
235 HA CYS 32 HA CYS 32 1.608 2.830 0.232
236 1HB CYS 32 2HB CYS 32 0.570 0.832 1.236
237 2HB CYS 32 1HB CYS 32 1.284 1.240 2.800
238 H LYS 33 H LYS 33 -0.149 4.086 -0.206
239 HA LYS 33 HA LYS 33 -2.087 4.597 2.000
240 1HB LYS 33 1HB LYS 33 -1.334 6.484 -0.273
241 2HB LYS 33 2HB LYS 33 -2.760 6.693 0.726
242 1HG LYS 33 1HG LYS 33 0.044 6.675 1.930
243 2HG LYS 33 2HG LYS 33 -0.699 8.114 1.248
244 1HD LYS 33 1HD LYS 33 -1.008 8.233 3.577
245 2HD LYS 33 2HD LYS 33 -2.588 7.942 2.840
246 1HE LYS 33 1HE LYS 33 -2.481 5.578 3.477
247 2HE LYS 33 2HE LYS 33 -0.830 5.775 4.092
248 1HZ LYS 33 1HZ LYS 33 -3.292 7.018 5.162
249 2HZ LYS 33 2HZ LYS 33 -2.495 5.765 5.810
250 3HZ LYS 33 3HZ LYS 33 -1.754 7.238 5.784
251 H CYS 34 H CYS 34 -4.042 3.728 1.549
252 HA CYS 34 HA CYS 34 -4.453 2.809 -1.228
253 1HB CYS 34 1HB CYS 34 -5.099 1.127 1.184
254 2HB CYS 34 2HB CYS 34 -5.082 0.613 -0.490
255 H TYR 35 H TYR 35 -6.682 2.464 -1.780
256 HA TYR 35 HA TYR 35 -8.547 3.974 0.022
257 1HB TYR 35 1HB TYR 35 -8.212 4.338 -2.970
258 2HB TYR 35 2HB TYR 35 -9.401 5.135 -1.943
259 HD1 TYR 35 HD1 TYR 35 -5.795 4.913 -2.829
260 HD2 TYR 35 HD2 TYR 35 -8.772 7.005 -0.503
261 HE1 TYR 35 HE1 TYR 35 -4.140 6.671 -2.305
262 HE2 TYR 35 HE2 TYR 35 -7.136 8.792 -0.022
263 HH TYR 35 HH TYR 35 -4.921 9.463 -0.164
264 H GLY 36 H GLY 36 -9.757 3.097 -3.075
265 1HA GLY 36 1HA GLY 36 -11.232 1.518 -3.782
266 2HA GLY 36 2HA GLY 36 -10.826 0.486 -2.385
267 H CYS 37 H CYS 37 -11.840 0.865 -0.417
268 HA CYS 37 HA CYS 37 -14.422 2.248 -0.420
269 1HB CYS 37 2HB CYS 37 -14.251 0.036 0.582
270 2HB CYS 37 1HB CYS 37 -14.587 1.223 1.829
271 H THR 38 H THR 38 -14.749 3.331 1.901
272 HA THR 38 HA THR 38 -12.500 5.018 2.723
273 HB THR 38 HB THR 38 -15.318 6.015 2.069
274 HG1 THR 38 HG1 THR 38 -13.983 5.796 0.258
275 1HG2 THR 38 1HG2 THR 38 -12.922 7.441 3.305
276 2HG2 THR 38 2HG2 THR 38 -14.364 8.259 2.660
277 3HG2 THR 38 3HG2 THR 38 -14.510 7.172 4.051
No H/Q in entry = 277
Start of MODEL 7
1 H1 ASP 1 H1 ASP 1 10.035 -1.383 12.847
2 H2 ASP 1 H2 ASP 1 9.164 -2.761 12.614
3 H3 ASP 1 H3 ASP 1 10.635 -2.582 11.908
4 HA ASP 1 HA ASP 1 9.941 -0.995 10.420
5 1HB ASP 1 1HB ASP 1 7.882 -3.194 10.654
6 2HB ASP 1 2HB ASP 1 7.999 -2.072 9.290
7 H GLU 2 H GLU 2 9.662 0.846 11.814
8 HA GLU 2 HA GLU 2 7.460 1.462 13.376
9 1HB GLU 2 2HB GLU 2 9.682 2.585 13.361
10 2HB GLU 2 1HB GLU 2 8.333 3.728 13.358
11 1HG GLU 2 1HG GLU 2 9.820 2.895 10.821
12 2HG GLU 2 2HG GLU 2 8.619 4.178 10.978
13 H ALA 3 H ALA 3 7.719 1.791 9.885
14 HA ALA 3 HA ALA 3 4.924 2.592 9.616
15 1HB ALA 3 1HB ALA 3 7.275 4.253 8.578
16 2HB ALA 3 3HB ALA 3 6.032 4.774 9.734
17 3HB ALA 3 2HB ALA 3 5.594 4.451 8.048
18 H ILE 4 H ILE 4 4.125 1.971 7.608
19 HA ILE 4 HA ILE 4 5.608 -0.211 6.402
20 HB ILE 4 HB ILE 4 3.387 -0.652 7.010
21 1HG1 ILE 4 1HG1 ILE 4 2.355 -1.408 4.910
22 2HG1 ILE 4 2HG1 ILE 4 3.496 -0.435 3.979
23 1HG2 ILE 4 1HG2 ILE 4 2.399 1.675 5.323
24 2HG2 ILE 4 2HG2 ILE 4 1.393 0.429 6.079
25 3HG2 ILE 4 3HG2 ILE 4 2.332 1.522 7.089
26 1HD1 ILE 4 1HD1 ILE 4 4.304 -2.663 5.891
27 2HD1 ILE 4 2HD1 ILE 4 4.096 -2.852 4.140
28 3HD1 ILE 4 3HD1 ILE 4 5.370 -1.790 4.762
29 H ARG 5 H ARG 5 7.249 0.528 5.203
30 HA ARG 5 HA ARG 5 6.687 2.540 3.101
31 1HB ARG 5 1HB ARG 5 9.087 2.657 2.728
32 2HB ARG 5 2HB ARG 5 8.709 2.904 4.422
33 1HG ARG 5 1HG ARG 5 10.576 1.551 4.481
34 2HG ARG 5 2HG ARG 5 9.273 0.428 4.777
35 1HD ARG 5 1HD ARG 5 9.492 -0.111 2.178
36 2HD ARG 5 2HD ARG 5 10.977 0.817 2.278
37 HE ARG 5 HE ARG 5 11.974 -0.955 3.272
38 1HH1 ARG 5 1HH1 ARG 5 8.433 -1.546 3.441
39 2HH1 ARG 5 2HH1 ARG 5 8.583 -2.924 4.452
40 1HH2 ARG 5 1HH2 ARG 5 12.138 -2.907 4.567
41 2HH2 ARG 5 2HH2 ARG 5 10.693 -3.626 5.174
42 H CYS 6 H CYS 6 7.464 2.009 0.869
43 HA CYS 6 HA CYS 6 7.251 -0.907 0.219
44 1HB CYS 6 1HB CYS 6 6.268 -0.122 -1.944
45 2HB CYS 6 2HB CYS 6 5.259 0.157 -0.552
46 H THR 7 H THR 7 8.175 -1.404 -1.988
47 HA THR 7 HA THR 7 10.611 0.183 -2.553
48 HB THR 7 HB THR 7 10.010 -2.681 -3.363
49 HG1 THR 7 HG1 THR 7 11.536 -3.154 -1.694
50 1HG2 THR 7 1HG2 THR 7 11.664 -1.427 -4.756
51 2HG2 THR 7 2HG2 THR 7 12.606 -1.079 -3.290
52 3HG2 THR 7 3HG2 THR 7 12.396 -2.753 -3.858
53 H GLY 8 H GLY 8 7.727 -1.510 -3.954
54 1HA GLY 8 1HA GLY 8 7.436 0.672 -5.925
55 2HA GLY 8 2HA GLY 8 7.469 -1.007 -6.502
56 H THR 9 H THR 9 5.210 0.433 -6.946
57 HA THR 9 HA THR 9 3.262 0.755 -5.026
58 HB THR 9 HB THR 9 3.078 0.115 -7.994
59 HG1 THR 9 HG1 THR 9 3.610 2.128 -8.199
60 1HG2 THR 9 1HG2 THR 9 0.941 1.283 -6.155
61 2HG2 THR 9 2HG2 THR 9 0.930 1.424 -7.933
62 3HG2 THR 9 3HG2 THR 9 0.838 -0.163 -7.184
63 H LYS 10 H LYS 10 4.046 -2.291 -6.651
64 HA LYS 10 HA LYS 10 1.719 -3.757 -5.868
65 1HB LYS 10 1HB LYS 10 3.178 -5.768 -6.130
66 2HB LYS 10 2HB LYS 10 3.061 -4.737 -7.540
67 1HG LYS 10 1HG LYS 10 5.399 -4.128 -5.763
68 2HG LYS 10 2HG LYS 10 5.386 -5.743 -6.457
69 1HD LYS 10 1HD LYS 10 5.149 -4.805 -8.723
70 2HD LYS 10 2HD LYS 10 5.203 -3.154 -8.070
71 1HE LYS 10 1HE LYS 10 7.472 -3.482 -7.266
72 2HE LYS 10 2HE LYS 10 7.373 -5.217 -7.551
73 1HZ LYS 10 1HZ LYS 10 7.299 -4.804 -9.917
74 2HZ LYS 10 2HZ LYS 10 7.476 -3.160 -9.689
75 3HZ LYS 10 3HZ LYS 10 8.640 -4.186 -9.241
76 H ASP 11 H ASP 11 4.642 -2.872 -4.006
77 HA ASP 11 HA ASP 11 4.302 -4.872 -1.976
78 1HB ASP 11 1HB ASP 11 5.706 -2.180 -1.852
79 2HB ASP 11 2HB ASP 11 5.827 -3.441 -0.640
80 H CYS 12 H CYS 12 2.615 -1.883 -2.623
81 HA CYS 12 HA CYS 12 1.569 -1.762 0.162
82 1HB CYS 12 1HB CYS 12 0.891 -0.032 -2.245
83 2HB CYS 12 2HB CYS 12 0.356 0.205 -0.577
84 H TYR 13 H TYR 13 0.506 -2.395 -3.217
85 HA TYR 13 HA TYR 13 -2.228 -2.743 -2.560
86 1HB TYR 13 1HB TYR 13 -0.506 -3.547 -4.883
87 2HB TYR 13 2HB TYR 13 -2.054 -4.343 -4.702
88 HD1 TYR 13 HD1 TYR 13 -4.131 -2.742 -4.150
89 HD2 TYR 13 HD2 TYR 13 -0.518 -1.543 -6.155
90 HE1 TYR 13 HE1 TYR 13 -5.383 -0.955 -5.286
91 HE2 TYR 13 HE2 TYR 13 -1.761 0.288 -7.295
92 HH TYR 13 HH TYR 13 -5.311 0.749 -6.927
93 H ILE 14 H ILE 14 0.438 -5.153 -2.442
94 HA ILE 14 HA ILE 14 -1.250 -7.382 -1.961
95 HB ILE 14 HB ILE 14 1.671 -6.854 -1.355
96 1HG1 ILE 14 1HG1 ILE 14 0.373 -8.697 -3.393
97 2HG1 ILE 14 2HG1 ILE 14 0.792 -7.029 -3.755
98 1HG2 ILE 14 1HG2 ILE 14 0.163 -9.492 -1.040
99 2HG2 ILE 14 2HG2 ILE 14 1.921 -9.290 -0.942
100 3HG2 ILE 14 3HG2 ILE 14 0.899 -8.562 0.279
101 1HD1 ILE 14 1HD1 ILE 14 3.178 -7.498 -3.196
102 2HD1 ILE 14 2HD1 ILE 14 2.760 -9.221 -3.012
103 3HD1 ILE 14 3HD1 ILE 14 2.556 -8.422 -4.576
104 HA PRO 15 HA PRO 15 -0.831 -7.030 2.720
105 1HB PRO 15 1HB PRO 15 0.182 -4.782 3.965
106 2HB PRO 15 2HB PRO 15 1.161 -6.209 3.508
107 1HG PRO 15 2HG PRO 15 2.310 -4.489 2.334
108 2HG PRO 15 1HG PRO 15 0.785 -3.629 1.956
109 1HD PRO 15 1HD PRO 15 1.098 -4.819 -0.067
110 2HD PRO 15 2HD PRO 15 1.831 -6.216 0.782
111 H CYS 16 H CYS 16 -1.487 -3.872 1.044
112 HA CYS 16 HA CYS 16 -3.577 -3.154 2.877
113 1HB CYS 16 1HB CYS 16 -2.410 -1.623 1.354
114 2HB CYS 16 2HB CYS 16 -3.196 -2.394 -0.023
115 H ARG 17 H ARG 17 -3.675 -4.951 -0.317
116 HA ARG 17 HA ARG 17 -6.494 -5.443 -0.160
117 1HB ARG 17 1HB ARG 17 -5.136 -5.677 -2.184
118 2HB ARG 17 2HB ARG 17 -4.278 -7.063 -1.500
119 1HG ARG 17 1HG ARG 17 -7.294 -7.098 -1.834
120 2HG ARG 17 2HG ARG 17 -6.232 -7.344 -3.212
121 1HD ARG 17 1HD ARG 17 -5.117 -9.245 -1.998
122 2HD ARG 17 2HD ARG 17 -6.343 -9.094 -0.727
123 HE ARG 17 HE ARG 17 -7.142 -9.406 -3.564
124 1HH1 ARG 17 1HH1 ARG 17 -7.020 -11.002 -0.303
125 2HH1 ARG 17 2HH1 ARG 17 -8.293 -12.060 -0.670
126 1HH2 ARG 17 1HH2 ARG 17 -8.845 -10.867 -3.975
127 2HH2 ARG 17 2HH2 ARG 17 -9.224 -12.120 -2.858
128 H TYR 18 H TYR 18 -3.670 -7.117 1.315
129 HA TYR 18 HA TYR 18 -5.268 -9.298 2.274
130 1HB TYR 18 1HB TYR 18 -2.650 -8.972 2.033
131 2HB TYR 18 2HB TYR 18 -2.758 -8.392 3.685
132 HD1 TYR 18 HD1 TYR 18 -3.763 -11.227 1.431
133 HD2 TYR 18 HD2 TYR 18 -2.727 -10.043 5.457
134 HE1 TYR 18 HE1 TYR 18 -3.676 -13.599 2.105
135 HE2 TYR 18 HE2 TYR 18 -2.649 -12.412 6.133
136 HH TYR 18 HH TYR 18 -2.885 -14.621 5.453
137 H ILE 19 H ILE 19 -4.382 -6.180 3.754
138 HA ILE 19 HA ILE 19 -5.710 -6.803 6.293
139 HB ILE 19 HB ILE 19 -4.016 -4.440 5.421
140 1HG1 ILE 19 1HG1 ILE 19 -3.264 -6.721 7.312
141 2HG1 ILE 19 2HG1 ILE 19 -2.884 -6.779 5.613
142 1HG2 ILE 19 1HG2 ILE 19 -5.575 -3.821 7.252
143 2HG2 ILE 19 2HG2 ILE 19 -5.034 -5.220 8.194
144 3HG2 ILE 19 3HG2 ILE 19 -3.925 -3.877 7.830
145 1HD1 ILE 19 1HD1 ILE 19 -1.602 -4.632 5.838
146 2HD1 ILE 19 2HD1 ILE 19 -1.807 -4.781 7.601
147 3HD1 ILE 19 3HD1 ILE 19 -0.941 -6.031 6.699
148 H THR 20 H THR 20 -5.758 -3.817 4.297
149 HA THR 20 HA THR 20 -8.215 -2.801 5.192
150 HB THR 20 HB THR 20 -6.623 -2.398 2.625
151 HG1 THR 20 HG1 THR 20 -6.618 -0.909 5.025
152 1HG2 THR 20 1HG2 THR 20 -8.751 -0.590 3.787
153 2HG2 THR 20 2HG2 THR 20 -7.541 -0.091 2.580
154 3HG2 THR 20 3HG2 THR 20 -8.711 -1.351 2.194
155 H GLY 21 H GLY 21 -7.518 -5.220 2.707
156 1HA GLY 21 1HA GLY 21 -9.066 -6.714 1.793
157 2HA GLY 21 2HA GLY 21 -10.398 -5.762 2.445
158 H CYS 22 H CYS 22 -10.390 -3.428 1.545
159 HA CYS 22 HA CYS 22 -11.154 -3.593 -1.158
160 1HB CYS 22 2HB CYS 22 -11.759 -1.288 -0.945
161 2HB CYS 22 1HB CYS 22 -10.705 -1.078 0.456
162 H PHE 23 H PHE 23 -10.153 -3.139 -3.005
163 HA PHE 23 HA PHE 23 -7.278 -2.826 -3.024
164 1HB PHE 23 1HB PHE 23 -8.574 -4.391 -4.438
165 2HB PHE 23 2HB PHE 23 -9.333 -3.047 -5.264
166 HD1 PHE 23 HD1 PHE 23 -6.181 -4.940 -4.783
167 HD2 PHE 23 HD2 PHE 23 -8.179 -1.885 -7.077
168 HE1 PHE 23 HE1 PHE 23 -4.327 -4.956 -6.470
169 HE2 PHE 23 HE2 PHE 23 -6.327 -1.893 -8.704
170 HZ PHE 23 HZ PHE 23 -4.411 -3.440 -8.418
171 H ASN 24 H ASN 24 -7.445 -0.509 -1.956
172 HA ASN 24 HA ASN 24 -7.026 1.337 -4.236
173 1HB ASN 24 1HB ASN 24 -9.395 1.700 -3.395
174 2HB ASN 24 2HB ASN 24 -8.683 2.363 -1.921
175 2HD2 ASN 24 1HD2 ASN 24 -10.257 4.087 -3.422
176 1HD2 ASN 24 2HD2 ASN 24 -9.260 5.171 -4.372
177 H SER 25 H SER 25 -4.896 0.763 -3.756
178 HA SER 25 HA SER 25 -3.682 1.894 -1.306
179 1HB SER 25 2HB SER 25 -2.286 -0.010 -1.279
180 2HB SER 25 1HB SER 25 -2.495 -0.298 -3.007
181 HG SER 25 HG SER 25 -4.434 -0.758 -0.990
182 H ARG 26 H ARG 26 -1.536 2.860 -1.518
183 HA ARG 26 HA ARG 26 -0.428 3.223 -4.210
184 1HB ARG 26 1HB ARG 26 -2.439 4.914 -3.484
185 2HB ARG 26 2HB ARG 26 -1.122 5.730 -2.652
186 1HG ARG 26 1HG ARG 26 0.074 5.994 -4.789
187 2HG ARG 26 2HG ARG 26 -1.146 4.997 -5.615
188 1HD ARG 26 1HD ARG 26 -2.908 6.588 -5.074
189 2HD ARG 26 2HD ARG 26 -1.774 7.593 -4.178
190 HE ARG 26 HE ARG 26 -0.547 7.966 -6.289
191 1HH1 ARG 26 1HH1 ARG 26 -3.996 7.035 -6.557
192 2HH1 ARG 26 2HH1 ARG 26 -4.281 8.071 -7.918
193 1HH2 ARG 26 1HH2 ARG 26 -0.911 9.028 -8.284
194 2HH2 ARG 26 2HH2 ARG 26 -2.511 9.213 -8.919
195 H CYS 27 H CYS 27 1.695 4.057 -4.153
196 HA CYS 27 HA CYS 27 3.128 4.085 -1.533
197 1HB CYS 27 1HB CYS 27 3.998 3.969 -4.456
198 2HB CYS 27 2HB CYS 27 5.098 4.456 -3.197
199 H ILE 28 H ILE 28 3.600 6.162 -0.752
200 HA ILE 28 HA ILE 28 4.027 8.276 -2.714
201 HB ILE 28 HB ILE 28 1.720 8.626 -2.268
202 1HG1 ILE 28 1HG1 ILE 28 1.749 10.890 -1.354
203 2HG1 ILE 28 2HG1 ILE 28 3.360 10.635 -0.688
204 1HG2 ILE 28 1HG2 ILE 28 1.428 7.410 -0.149
205 2HG2 ILE 28 2HG2 ILE 28 2.300 8.693 0.713
206 3HG2 ILE 28 3HG2 ILE 28 0.747 9.037 -0.073
207 1HD1 ILE 28 1HD1 ILE 28 2.656 10.535 -3.651
208 2HD1 ILE 28 2HD1 ILE 28 3.283 11.959 -2.795
209 3HD1 ILE 28 3HD1 ILE 28 4.295 10.518 -2.955
210 H ASN 29 H ASN 29 5.897 9.219 -2.290
211 HA ASN 29 HA ASN 29 7.955 9.434 -1.369
212 1HB ASN 29 1HB ASN 29 6.164 10.595 0.785
213 2HB ASN 29 2HB ASN 29 7.919 10.583 0.937
214 2HD2 ASN 29 1HD2 ASN 29 5.399 12.543 -0.201
215 1HD2 ASN 29 2HD2 ASN 29 6.386 13.483 -1.312
216 H LYS 30 H LYS 30 7.633 7.026 -1.533
217 HA LYS 30 HA LYS 30 8.083 4.952 -0.956
218 1HB LYS 30 1HB LYS 30 10.131 6.321 0.037
219 2HB LYS 30 2HB LYS 30 9.496 5.742 1.583
220 1HG LYS 30 1HG LYS 30 9.609 3.391 0.669
221 2HG LYS 30 2HG LYS 30 10.241 4.047 -0.838
222 1HD LYS 30 1HD LYS 30 12.191 4.994 0.527
223 2HD LYS 30 2HD LYS 30 11.538 4.125 1.924
224 1HE LYS 30 2HE LYS 30 11.777 1.972 0.708
225 2HE LYS 30 1HE LYS 30 13.320 2.825 0.888
226 1HZ LYS 30 1HZ LYS 30 12.883 3.697 -1.408
227 2HZ LYS 30 2HZ LYS 30 13.217 2.084 -1.331
228 3HZ LYS 30 3HZ LYS 30 11.676 2.616 -1.558
229 H SER 31 H SER 31 5.896 6.640 1.027
230 HA SER 31 HA SER 31 5.617 4.442 2.975
231 1HB SER 31 1HB SER 31 5.631 6.934 3.517
232 2HB SER 31 2HB SER 31 4.073 7.029 2.664
233 HG SER 31 HG SER 31 4.711 5.985 5.137
234 H CYS 32 H CYS 32 3.887 3.027 2.949
235 HA CYS 32 HA CYS 32 2.123 2.994 0.606
236 1HB CYS 32 1HB CYS 32 2.353 1.257 3.093
237 2HB CYS 32 2HB CYS 32 1.081 1.058 1.892
238 H LYS 33 H LYS 33 0.219 3.959 0.527
239 HA LYS 33 HA LYS 33 -1.249 4.442 3.053
240 1HB LYS 33 1HB LYS 33 -0.866 6.434 0.762
241 2HB LYS 33 2HB LYS 33 -2.084 6.618 2.026
242 1HG LYS 33 1HG LYS 33 0.922 6.470 2.550
243 2HG LYS 33 2HG LYS 33 0.015 7.964 2.381
244 1HD LYS 33 1HD LYS 33 -0.880 7.862 4.464
245 2HD LYS 33 2HD LYS 33 -1.184 6.141 4.384
246 1HE LYS 33 1HE LYS 33 0.389 6.447 6.130
247 2HE LYS 33 2HE LYS 33 1.248 5.689 4.787
248 1HZ LYS 33 1HZ LYS 33 2.136 7.874 4.227
249 2HZ LYS 33 2HZ LYS 33 1.356 8.564 5.498
250 3HZ LYS 33 3HZ LYS 33 2.522 7.423 5.762
251 H CYS 34 H CYS 34 -3.560 4.406 2.704
252 HA CYS 34 HA CYS 34 -4.397 3.415 0.067
253 1HB CYS 34 1HB CYS 34 -5.080 2.056 2.708
254 2HB CYS 34 2HB CYS 34 -5.909 1.766 1.179
255 H TYR 35 H TYR 35 -6.772 3.545 -0.101
256 HA TYR 35 HA TYR 35 -7.750 6.009 1.307
257 1HB TYR 35 1HB TYR 35 -8.431 4.862 -1.400
258 2HB TYR 35 2HB TYR 35 -9.210 6.262 -0.674
259 HD1 TYR 35 HD1 TYR 35 -7.956 8.357 -0.240
260 HD2 TYR 35 HD2 TYR 35 -6.120 5.059 -2.331
261 HE1 TYR 35 HE1 TYR 35 -6.123 9.828 -0.973
262 HE2 TYR 35 HE2 TYR 35 -4.328 6.565 -3.137
263 HH TYR 35 HH TYR 35 -4.348 10.083 -2.326
264 H GLY 36 H GLY 36 -7.742 3.354 2.517
265 1HA GLY 36 1HA GLY 36 -9.061 1.749 3.409
266 2HA GLY 36 2HA GLY 36 -10.274 3.032 3.546
267 H CYS 37 H CYS 37 -12.104 2.604 2.543
268 HA CYS 37 HA CYS 37 -12.137 0.867 0.133
269 1HB CYS 37 1HB CYS 37 -13.135 0.223 2.526
270 2HB CYS 37 2HB CYS 37 -14.503 1.168 1.950
271 H THR 38 H THR 38 -11.753 3.782 0.040
272 HA THR 38 HA THR 38 -12.522 5.607 -1.030
273 HB THR 38 HB THR 38 -14.006 3.432 -2.525
274 HG1 THR 38 HG1 THR 38 -12.236 5.132 -3.725
275 1HG2 THR 38 1HG2 THR 38 -14.120 6.386 -3.214
276 2HG2 THR 38 2HG2 THR 38 -14.362 5.067 -4.393
277 3HG2 THR 38 3HG2 THR 38 -15.468 5.243 -3.059
No H/Q in entry = 277
Start of MODEL 8
1 H1 ASP 1 H1 ASP 1 11.139 -2.520 8.255
2 H2 ASP 1 H2 ASP 1 10.700 -1.137 7.502
3 H3 ASP 1 H3 ASP 1 12.308 -1.516 7.649
4 HA ASP 1 HA ASP 1 12.252 -1.238 9.977
5 1HB ASP 1 1HB ASP 1 11.893 0.853 8.078
6 2HB ASP 1 2HB ASP 1 10.856 1.273 9.434
7 H GLU 2 H GLU 2 10.884 -0.125 11.831
8 HA GLU 2 HA GLU 2 8.214 -1.294 11.898
9 1HB GLU 2 2HB GLU 2 8.033 -0.613 14.069
10 2HB GLU 2 1HB GLU 2 9.132 0.747 13.915
11 1HG GLU 2 2HG GLU 2 10.277 -2.023 13.621
12 2HG GLU 2 1HG GLU 2 9.829 -1.425 15.224
13 H ALA 3 H ALA 3 7.795 -0.182 9.761
14 HA ALA 3 HA ALA 3 5.943 1.949 10.215
15 1HB ALA 3 2HB ALA 3 6.913 3.491 8.483
16 2HB ALA 3 3HB ALA 3 7.876 3.436 9.961
17 3HB ALA 3 1HB ALA 3 8.422 2.553 8.512
18 H ILE 4 H ILE 4 4.696 2.334 8.284
19 HA ILE 4 HA ILE 4 4.495 0.037 6.506
20 HB ILE 4 HB ILE 4 2.883 2.627 6.392
21 1HG1 ILE 4 2HG1 ILE 4 2.299 0.174 8.117
22 2HG1 ILE 4 1HG1 ILE 4 1.060 1.290 7.559
23 1HG2 ILE 4 1HG2 ILE 4 2.892 0.979 4.476
24 2HG2 ILE 4 2HG2 ILE 4 2.220 -0.227 5.577
25 3HG2 ILE 4 3HG2 ILE 4 1.293 1.243 5.207
26 1HD1 ILE 4 1HD1 ILE 4 2.448 3.163 8.700
27 2HD1 ILE 4 2HD1 ILE 4 1.482 2.060 9.696
28 3HD1 ILE 4 3HD1 ILE 4 3.223 1.826 9.580
29 H ARG 5 H ARG 5 6.262 0.042 5.020
30 HA ARG 5 HA ARG 5 6.566 2.477 3.391
31 1HB ARG 5 1HB ARG 5 8.280 2.385 5.357
32 2HB ARG 5 2HB ARG 5 9.115 1.189 4.345
33 1HG ARG 5 1HG ARG 5 9.239 2.796 2.492
34 2HG ARG 5 2HG ARG 5 8.218 3.948 3.371
35 1HD ARG 5 1HD ARG 5 11.002 3.118 4.209
36 2HD ARG 5 2HD ARG 5 10.544 4.619 3.380
37 HE ARG 5 HE ARG 5 8.931 4.683 5.566
38 1HH1 ARG 5 1HH1 ARG 5 12.443 4.514 5.172
39 2HH1 ARG 5 2HH1 ARG 5 12.785 4.908 6.831
40 1HH2 ARG 5 1HH2 ARG 5 9.343 5.371 7.645
41 2HH2 ARG 5 2HH2 ARG 5 10.939 5.236 8.336
42 H CYS 6 H CYS 6 6.618 2.042 1.304
43 HA CYS 6 HA CYS 6 6.162 -0.737 0.585
44 1HB CYS 6 2HB CYS 6 4.880 1.443 -0.121
45 2HB CYS 6 1HB CYS 6 5.071 0.085 -1.219
46 H THR 7 H THR 7 7.533 -1.998 -0.589
47 HA THR 7 HA THR 7 10.145 -0.964 -1.430
48 HB THR 7 HB THR 7 8.740 -3.640 -1.706
49 HG1 THR 7 HG1 THR 7 10.265 -4.148 -0.041
50 1HG2 THR 7 1HG2 THR 7 11.684 -2.972 -2.178
51 2HG2 THR 7 2HG2 THR 7 10.966 -4.603 -2.170
52 3HG2 THR 7 3HG2 THR 7 10.514 -3.460 -3.429
53 H GLY 8 H GLY 8 6.924 -1.303 -2.771
54 1HA GLY 8 1HA GLY 8 7.377 0.363 -4.939
55 2HA GLY 8 2HA GLY 8 7.313 -1.313 -5.543
56 H THR 9 H THR 9 5.232 0.167 -6.404
57 HA THR 9 HA THR 9 3.171 0.598 -4.498
58 HB THR 9 HB THR 9 2.931 0.420 -7.515
59 HG1 THR 9 HG1 THR 9 4.121 2.128 -7.415
60 1HG2 THR 9 1HG2 THR 9 1.249 1.894 -5.424
61 2HG2 THR 9 2HG2 THR 9 1.127 2.106 -7.187
62 3HG2 THR 9 3HG2 THR 9 0.706 0.556 -6.459
63 H LYS 10 H LYS 10 3.895 -2.452 -6.230
64 HA LYS 10 HA LYS 10 1.289 -3.566 -5.558
65 1HB LYS 10 1HB LYS 10 3.899 -4.918 -6.294
66 2HB LYS 10 2HB LYS 10 2.429 -5.773 -5.836
67 1HG LYS 10 1HG LYS 10 1.164 -4.628 -7.663
68 2HG LYS 10 2HG LYS 10 2.651 -3.808 -8.160
69 1HD LYS 10 2HD LYS 10 3.701 -5.987 -8.638
70 2HD LYS 10 1HD LYS 10 2.254 -5.702 -9.613
71 1HE LYS 10 1HE LYS 10 2.306 -7.380 -7.068
72 2HE LYS 10 2HE LYS 10 0.916 -7.163 -8.134
73 1HZ LYS 10 1HZ LYS 10 3.447 -8.268 -9.132
74 2HZ LYS 10 2HZ LYS 10 2.366 -9.241 -8.377
75 3HZ LYS 10 3HZ LYS 10 1.948 -8.446 -9.771
76 H ASP 11 H ASP 11 4.333 -3.086 -3.816
77 HA ASP 11 HA ASP 11 3.889 -4.920 -1.702
78 1HB ASP 11 1HB ASP 11 6.013 -3.590 -2.381
79 2HB ASP 11 2HB ASP 11 5.323 -2.270 -1.427
80 H CYS 12 H CYS 12 2.322 -1.945 -2.466
81 HA CYS 12 HA CYS 12 1.137 -1.633 0.241
82 1HB CYS 12 1HB CYS 12 0.598 -0.086 -2.333
83 2HB CYS 12 2HB CYS 12 -0.002 0.294 -0.718
84 H TYR 13 H TYR 13 0.261 -2.394 -3.147
85 HA TYR 13 HA TYR 13 -2.510 -2.633 -2.666
86 1HB TYR 13 1HB TYR 13 -0.640 -3.324 -4.891
87 2HB TYR 13 2HB TYR 13 -2.170 -4.161 -4.884
88 HD1 TYR 13 HD1 TYR 13 -4.290 -2.665 -4.346
89 HD2 TYR 13 HD2 TYR 13 -0.606 -1.222 -6.051
90 HE1 TYR 13 HE1 TYR 13 -5.503 -0.793 -5.384
91 HE2 TYR 13 HE2 TYR 13 -1.818 0.721 -7.026
92 HH TYR 13 HH TYR 13 -3.984 1.681 -7.406
93 H ILE 14 H ILE 14 0.024 -5.103 -2.191
94 HA ILE 14 HA ILE 14 -1.917 -7.253 -1.934
95 HB ILE 14 HB ILE 14 0.994 -7.017 -1.154
96 1HG1 ILE 14 1HG1 ILE 14 1.018 -9.178 -2.559
97 2HG1 ILE 14 2HG1 ILE 14 -0.629 -8.794 -3.039
98 1HG2 ILE 14 1HG2 ILE 14 -0.861 -9.351 -0.489
99 2HG2 ILE 14 2HG2 ILE 14 0.911 -9.319 -0.291
100 3HG2 ILE 14 3HG2 ILE 14 -0.093 -8.289 0.704
101 1HD1 ILE 14 1HD1 ILE 14 1.852 -7.092 -3.525
102 2HD1 ILE 14 2HD1 ILE 14 1.071 -8.131 -4.713
103 3HD1 ILE 14 3HD1 ILE 14 0.203 -6.711 -4.116
104 HA PRO 15 HA PRO 15 -1.903 -6.561 2.692
105 1HB PRO 15 1HB PRO 15 -0.842 -4.262 3.848
106 2HB PRO 15 2HB PRO 15 -0.046 -5.856 3.705
107 1HG PRO 15 1HG PRO 15 0.260 -3.454 1.898
108 2HG PRO 15 2HG PRO 15 1.527 -4.559 2.524
109 1HD PRO 15 1HD PRO 15 0.552 -4.820 0.020
110 2HD PRO 15 2HD PRO 15 0.943 -6.247 1.021
111 H CYS 16 H CYS 16 -2.185 -3.362 0.958
112 HA CYS 16 HA CYS 16 -4.407 -2.441 2.498
113 1HB CYS 16 1HB CYS 16 -3.671 -2.016 -0.401
114 2HB CYS 16 2HB CYS 16 -5.060 -1.247 0.357
115 H ARG 17 H ARG 17 -4.339 -4.568 -0.465
116 HA ARG 17 HA ARG 17 -7.221 -4.873 -0.507
117 1HB ARG 17 1HB ARG 17 -5.817 -5.264 -2.452
118 2HB ARG 17 2HB ARG 17 -4.950 -6.558 -1.635
119 1HG ARG 17 1HG ARG 17 -7.922 -6.928 -1.911
120 2HG ARG 17 2HG ARG 17 -6.979 -6.930 -3.386
121 1HD ARG 17 1HD ARG 17 -6.882 -9.141 -2.936
122 2HD ARG 17 2HD ARG 17 -5.393 -8.626 -2.149
123 HE ARG 17 HE ARG 17 -7.613 -8.527 -0.313
124 1HH1 ARG 17 1HH1 ARG 17 -5.465 -10.907 -1.930
125 2HH1 ARG 17 2HH1 ARG 17 -5.890 -12.181 -0.823
126 1HH2 ARG 17 1HH2 ARG 17 -8.195 -10.224 1.020
127 2HH2 ARG 17 2HH2 ARG 17 -7.552 -11.808 0.829
128 H TYR 18 H TYR 18 -4.537 -6.606 1.144
129 HA TYR 18 HA TYR 18 -6.197 -8.733 2.085
130 1HB TYR 18 1HB TYR 18 -3.621 -8.576 1.895
131 2HB TYR 18 2HB TYR 18 -3.680 -7.753 3.447
132 HD1 TYR 18 HD1 TYR 18 -4.542 -10.917 1.645
133 HD2 TYR 18 HD2 TYR 18 -3.892 -9.043 5.486
134 HE1 TYR 18 HE1 TYR 18 -4.555 -13.143 2.734
135 HE2 TYR 18 HE2 TYR 18 -3.887 -11.246 6.569
136 HH TYR 18 HH TYR 18 -4.123 -13.551 6.278
137 H ILE 19 H ILE 19 -5.623 -5.459 3.387
138 HA ILE 19 HA ILE 19 -7.235 -6.104 5.788
139 HB ILE 19 HB ILE 19 -5.687 -3.628 4.956
140 1HG1 ILE 19 1HG1 ILE 19 -4.764 -4.026 7.339
141 2HG1 ILE 19 2HG1 ILE 19 -5.571 -5.581 7.309
142 1HG2 ILE 19 1HG2 ILE 19 -7.615 -3.925 7.305
143 2HG2 ILE 19 2HG2 ILE 19 -6.447 -2.608 7.113
144 3HG2 ILE 19 3HG2 ILE 19 -7.765 -2.762 5.969
145 1HD1 ILE 19 1HD1 ILE 19 -3.363 -4.635 5.434
146 2HD1 ILE 19 2HD1 ILE 19 -3.162 -5.702 6.816
147 3HD1 ILE 19 3HD1 ILE 19 -4.089 -6.272 5.432
148 H THR 20 H THR 20 -7.510 -3.408 3.383
149 HA THR 20 HA THR 20 -10.172 -2.824 4.000
150 HB THR 20 HB THR 20 -8.403 -2.195 1.609
151 HG1 THR 20 HG1 THR 20 -8.997 -0.297 3.526
152 1HG2 THR 20 1HG2 THR 20 -11.002 -0.891 2.444
153 2HG2 THR 20 2HG2 THR 20 -9.793 -0.125 1.373
154 3HG2 THR 20 3HG2 THR 20 -10.595 -1.620 0.879
155 H GLY 21 H GLY 21 -8.994 -5.378 1.852
156 1HA GLY 21 1HA GLY 21 -10.215 -6.943 0.703
157 2HA GLY 21 2HA GLY 21 -11.717 -6.140 1.177
158 H CYS 22 H CYS 22 -11.571 -3.676 0.189
159 HA CYS 22 HA CYS 22 -11.718 -3.907 -2.690
160 1HB CYS 22 1HB CYS 22 -11.710 -1.353 -1.067
161 2HB CYS 22 2HB CYS 22 -12.435 -1.652 -2.647
162 H PHE 23 H PHE 23 -10.293 -3.155 -4.217
163 HA PHE 23 HA PHE 23 -7.477 -3.006 -3.388
164 1HB PHE 23 1HB PHE 23 -8.396 -4.687 -4.994
165 2HB PHE 23 2HB PHE 23 -8.842 -3.400 -6.090
166 HD1 PHE 23 HD1 PHE 23 -6.101 -5.407 -4.711
167 HD2 PHE 23 HD2 PHE 23 -7.099 -2.211 -7.432
168 HE1 PHE 23 HE1 PHE 23 -3.883 -5.622 -5.796
169 HE2 PHE 23 HE2 PHE 23 -4.901 -2.465 -8.527
170 HZ PHE 23 HZ PHE 23 -3.287 -4.206 -7.692
171 H ASN 24 H ASN 24 -7.309 -0.693 -2.691
172 HA ASN 24 HA ASN 24 -6.842 1.003 -5.047
173 1HB ASN 24 1HB ASN 24 -9.314 1.252 -4.082
174 2HB ASN 24 2HB ASN 24 -8.511 2.266 -2.893
175 2HD2 ASN 24 1HD2 ASN 24 -9.443 4.248 -3.627
176 1HD2 ASN 24 2HD2 ASN 24 -9.150 4.868 -5.233
177 H SER 25 H SER 25 -4.694 1.584 -4.683
178 HA SER 25 HA SER 25 -3.914 2.578 -2.019
179 1HB SER 25 2HB SER 25 -2.260 0.904 -1.657
180 2HB SER 25 1HB SER 25 -2.396 0.284 -3.314
181 HG SER 25 HG SER 25 -4.632 0.257 -1.629
182 H ARG 26 H ARG 26 -1.649 3.434 -1.956
183 HA ARG 26 HA ARG 26 -0.398 4.069 -4.554
184 1HB ARG 26 1HB ARG 26 -2.434 5.698 -3.466
185 2HB ARG 26 2HB ARG 26 -0.993 6.458 -2.839
186 1HG ARG 26 1HG ARG 26 -1.474 5.821 -5.776
187 2HG ARG 26 2HG ARG 26 -1.905 7.353 -5.027
188 1HD ARG 26 1HD ARG 26 0.235 8.120 -4.921
189 2HD ARG 26 2HD ARG 26 0.899 6.533 -4.568
190 HE ARG 26 HE ARG 26 -0.002 7.382 -7.270
191 1HH1 ARG 26 1HH1 ARG 26 2.736 6.199 -5.368
192 2HH1 ARG 26 2HH1 ARG 26 3.417 5.282 -6.668
193 1HH2 ARG 26 1HH2 ARG 26 1.026 6.323 -9.045
194 2HH2 ARG 26 2HH2 ARG 26 2.461 5.391 -8.802
195 H CYS 27 H CYS 27 1.872 4.435 -4.242
196 HA CYS 27 HA CYS 27 2.888 4.411 -1.439
197 1HB CYS 27 1HB CYS 27 4.371 4.533 -4.107
198 2HB CYS 27 2HB CYS 27 5.125 4.607 -2.533
199 H ILE 28 H ILE 28 3.363 6.486 -0.507
200 HA ILE 28 HA ILE 28 4.047 8.696 -2.314
201 HB ILE 28 HB ILE 28 1.672 9.053 -1.933
202 1HG1 ILE 28 1HG1 ILE 28 1.707 11.246 -0.734
203 2HG1 ILE 28 2HG1 ILE 28 3.359 10.924 -0.224
204 1HG2 ILE 28 1HG2 ILE 28 1.343 7.712 0.103
205 2HG2 ILE 28 2HG2 ILE 28 2.230 8.919 1.062
206 3HG2 ILE 28 3HG2 ILE 28 0.696 9.342 0.296
207 1HD1 ILE 28 1HD1 ILE 28 2.372 11.200 -3.095
208 2HD1 ILE 28 2HD1 ILE 28 3.270 12.421 -2.180
209 3HD1 ILE 28 3HD1 ILE 28 4.060 10.899 -2.628
210 H ASN 29 H ASN 29 5.825 9.753 -1.494
211 HA ASN 29 HA ASN 29 7.727 9.935 -0.298
212 1HB ASN 29 1HB ASN 29 6.068 11.064 1.321
213 2HB ASN 29 2HB ASN 29 6.121 9.569 2.254
214 2HD2 ASN 29 1HD2 ASN 29 7.412 10.147 4.055
215 1HD2 ASN 29 2HD2 ASN 29 9.029 10.828 3.902
216 H LYS 30 H LYS 30 6.914 7.358 -1.232
217 HA LYS 30 HA LYS 30 7.288 5.207 -1.207
218 1HB LYS 30 1HB LYS 30 9.722 6.213 -0.629
219 2HB LYS 30 2HB LYS 30 9.470 5.241 0.832
220 1HG LYS 30 1HG LYS 30 8.757 3.351 -0.836
221 2HG LYS 30 2HG LYS 30 9.469 4.363 -2.088
222 1HD LYS 30 1HD LYS 30 11.642 4.304 -0.821
223 2HD LYS 30 2HD LYS 30 10.872 3.201 0.348
224 1HE LYS 30 1HE LYS 30 10.274 1.781 -1.757
225 2HE LYS 30 2HE LYS 30 11.463 2.762 -2.610
226 1HZ LYS 30 1HZ LYS 30 11.997 1.143 -0.189
227 2HZ LYS 30 2HZ LYS 30 12.373 0.725 -1.757
228 3HZ LYS 30 3HZ LYS 30 13.128 1.993 -1.062
229 H SER 31 H SER 31 5.663 6.537 1.214
230 HA SER 31 HA SER 31 5.489 4.107 2.886
231 1HB SER 31 1HB SER 31 5.808 6.408 3.893
232 2HB SER 31 2HB SER 31 4.217 6.848 3.248
233 HG SER 31 HG SER 31 4.620 4.553 4.911
234 H CYS 32 H CYS 32 3.337 3.135 3.107
235 HA CYS 32 HA CYS 32 1.912 3.270 0.511
236 1HB CYS 32 1HB CYS 32 1.606 1.393 2.877
237 2HB CYS 32 2HB CYS 32 0.607 1.361 1.450
238 H LYS 33 H LYS 33 -0.036 4.096 0.244
239 HA LYS 33 HA LYS 33 -1.714 4.749 2.611
240 1HB LYS 33 1HB LYS 33 -1.238 6.270 0.002
241 2HB LYS 33 2HB LYS 33 -2.703 6.487 0.947
242 1HG LYS 33 1HG LYS 33 0.117 7.021 1.973
243 2HG LYS 33 2HG LYS 33 -1.051 8.231 1.405
244 1HD LYS 33 1HD LYS 33 -2.636 7.402 3.223
245 2HD LYS 33 2HD LYS 33 -1.266 6.458 3.850
246 1HE LYS 33 1HE LYS 33 0.062 8.487 4.155
247 2HE LYS 33 2HE LYS 33 -1.210 9.477 3.425
248 1HZ LYS 33 1HZ LYS 33 -1.646 7.869 5.855
249 2HZ LYS 33 2HZ LYS 33 -1.155 9.430 5.920
250 3HZ LYS 33 3HZ LYS 33 -2.614 9.064 5.260
251 H CYS 34 H CYS 34 -3.667 3.830 2.563
252 HA CYS 34 HA CYS 34 -4.473 2.321 0.108
253 1HB CYS 34 1HB CYS 34 -5.672 2.192 2.886
254 2HB CYS 34 2HB CYS 34 -6.001 1.125 1.534
255 H TYR 35 H TYR 35 -6.645 2.951 -0.729
256 HA TYR 35 HA TYR 35 -8.001 5.106 0.668
257 1HB TYR 35 2HB TYR 35 -6.344 6.399 -0.580
258 2HB TYR 35 1HB TYR 35 -7.996 6.777 -0.973
259 HD1 TYR 35 HD1 TYR 35 -5.173 4.607 -2.261
260 HD2 TYR 35 HD2 TYR 35 -8.491 7.199 -3.200
261 HE1 TYR 35 HE1 TYR 35 -4.591 4.499 -4.683
262 HE2 TYR 35 HE2 TYR 35 -7.872 7.141 -5.587
263 HH TYR 35 HH TYR 35 -5.548 6.697 -6.864
264 H GLY 36 H GLY 36 -8.794 2.645 0.491
265 1HA GLY 36 1HA GLY 36 -10.664 2.362 -1.818
266 2HA GLY 36 2HA GLY 36 -10.090 1.051 -0.778
267 H CYS 37 H CYS 37 -12.105 0.388 -0.185
268 HA CYS 37 HA CYS 37 -14.306 1.875 0.566
269 1HB CYS 37 1HB CYS 37 -13.400 -0.900 1.418
270 2HB CYS 37 2HB CYS 37 -14.999 -0.247 1.735
271 H THR 38 H THR 38 -11.519 0.970 2.736
272 HA THR 38 HA THR 38 -12.237 3.050 4.485
273 HB THR 38 HB THR 38 -13.782 1.130 5.220
274 HG1 THR 38 HG1 THR 38 -13.447 2.740 6.604
275 1HG2 THR 38 1HG2 THR 38 -12.185 -0.756 4.975
276 2HG2 THR 38 2HG2 THR 38 -11.224 -0.098 6.321
277 3HG2 THR 38 3HG2 THR 38 -12.894 -0.637 6.591
No H/Q in entry = 277
Start of MODEL 9
1 H1 ASP 1 H1 ASP 1 7.833 -3.593 14.498
2 H2 ASP 1 H2 ASP 1 8.508 -4.229 13.146
3 H3 ASP 1 H3 ASP 1 9.466 -3.661 14.364
4 HA ASP 1 HA ASP 1 8.779 -1.437 14.018
5 1HB ASP 1 1HB ASP 1 9.700 -2.881 11.510
6 2HB ASP 1 2HB ASP 1 9.449 -1.130 11.557
7 H GLU 2 H GLU 2 6.618 -0.924 14.289
8 HA GLU 2 HA GLU 2 4.738 -1.184 12.036
9 1HB GLU 2 1HB GLU 2 4.686 0.256 14.716
10 2HB GLU 2 2HB GLU 2 3.527 0.627 13.455
11 1HG GLU 2 1HG GLU 2 2.500 -0.988 14.889
12 2HG GLU 2 2HG GLU 2 2.829 -1.754 13.341
13 H ALA 3 H ALA 3 6.085 -0.459 10.400
14 HA ALA 3 HA ALA 3 6.269 2.467 10.142
15 1HB ALA 3 3HB ALA 3 8.557 1.803 10.689
16 2HB ALA 3 2HB ALA 3 8.476 2.120 8.944
17 3HB ALA 3 1HB ALA 3 8.488 0.452 9.538
18 H ILE 4 H ILE 4 6.156 3.025 7.839
19 HA ILE 4 HA ILE 4 4.798 0.946 6.177
20 HB ILE 4 HB ILE 4 3.903 3.833 6.531
21 1HG1 ILE 4 1HG1 ILE 4 3.369 2.621 8.604
22 2HG1 ILE 4 2HG1 ILE 4 1.957 3.134 7.712
23 1HG2 ILE 4 1HG2 ILE 4 3.459 2.869 4.320
24 2HG2 ILE 4 2HG2 ILE 4 2.619 1.498 5.040
25 3HG2 ILE 4 3HG2 ILE 4 1.949 3.139 5.199
26 1HD1 ILE 4 1HD1 ILE 4 3.040 0.288 7.655
27 2HD1 ILE 4 2HD1 ILE 4 1.729 0.863 8.701
28 3HD1 ILE 4 3HD1 ILE 4 1.510 0.860 6.949
29 H ARG 5 H ARG 5 6.599 0.636 4.880
30 HA ARG 5 HA ARG 5 7.506 2.925 3.254
31 1HB ARG 5 1HB ARG 5 8.886 2.710 5.284
32 2HB ARG 5 2HB ARG 5 9.386 1.104 4.798
33 1HG ARG 5 1HG ARG 5 9.786 3.559 3.017
34 2HG ARG 5 2HG ARG 5 10.908 3.183 4.312
35 1HD ARG 5 2HD ARG 5 11.753 2.373 2.183
36 2HD ARG 5 1HD ARG 5 10.312 1.385 1.932
37 HE ARG 5 HE ARG 5 11.522 0.754 4.455
38 1HH1 ARG 5 1HH1 ARG 5 12.290 0.400 1.001
39 2HH1 ARG 5 2HH1 ARG 5 13.045 -1.155 1.188
40 1HH2 ARG 5 1HH2 ARG 5 12.435 -1.365 4.683
41 2HH2 ARG 5 2HH2 ARG 5 13.035 -2.195 3.295
42 H CYS 6 H CYS 6 6.824 2.153 1.304
43 HA CYS 6 HA CYS 6 7.086 -0.732 0.623
44 1HB CYS 6 1HB CYS 6 5.713 0.040 -1.383
45 2HB CYS 6 2HB CYS 6 4.921 -0.068 0.181
46 H THR 7 H THR 7 8.857 -1.284 -0.549
47 HA THR 7 HA THR 7 10.608 0.700 -1.647
48 HB THR 7 HB THR 7 11.385 -1.453 -0.872
49 HG1 THR 7 HG1 THR 7 11.875 -0.959 -3.622
50 1HG2 THR 7 1HG2 THR 7 9.593 -2.961 -1.654
51 2HG2 THR 7 2HG2 THR 7 10.134 -2.739 -3.333
52 3HG2 THR 7 3HG2 THR 7 11.198 -3.507 -2.142
53 H GLY 8 H GLY 8 8.006 -1.275 -3.188
54 1HA GLY 8 1HA GLY 8 8.118 0.571 -5.516
55 2HA GLY 8 2HA GLY 8 7.942 -1.185 -5.723
56 H THR 9 H THR 9 5.977 0.842 -6.489
57 HA THR 9 HA THR 9 3.964 1.233 -4.631
58 HB THR 9 HB THR 9 3.446 0.771 -7.588
59 HG1 THR 9 HG1 THR 9 4.033 3.342 -6.833
60 1HG2 THR 9 1HG2 THR 9 2.245 2.654 -5.510
61 2HG2 THR 9 2HG2 THR 9 1.827 2.646 -7.233
62 3HG2 THR 9 3HG2 THR 9 1.455 1.238 -6.225
63 H LYS 10 H LYS 10 4.334 -1.520 -6.902
64 HA LYS 10 HA LYS 10 1.930 -2.819 -6.015
65 1HB LYS 10 1HB LYS 10 2.588 -4.610 -7.478
66 2HB LYS 10 2HB LYS 10 2.786 -3.040 -8.244
67 1HG LYS 10 1HG LYS 10 5.315 -3.261 -7.451
68 2HG LYS 10 2HG LYS 10 4.922 -4.976 -7.292
69 1HD LYS 10 1HD LYS 10 4.501 -3.289 -9.797
70 2HD LYS 10 2HD LYS 10 5.891 -4.346 -9.513
71 1HE LYS 10 1HE LYS 10 4.531 -6.310 -9.493
72 2HE LYS 10 2HE LYS 10 3.026 -5.386 -9.459
73 1HZ LYS 10 1HZ LYS 10 4.932 -5.286 -11.700
74 2HZ LYS 10 2HZ LYS 10 3.629 -6.276 -11.665
75 3HZ LYS 10 3HZ LYS 10 3.408 -4.647 -11.657
76 H ASP 11 H ASP 11 4.747 -2.522 -4.161
77 HA ASP 11 HA ASP 11 4.737 -5.243 -3.070
78 1HB ASP 11 1HB ASP 11 6.022 -2.634 -2.192
79 2HB ASP 11 2HB ASP 11 5.930 -4.026 -1.131
80 H CYS 12 H CYS 12 3.668 -2.051 -1.855
81 HA CYS 12 HA CYS 12 2.188 -3.099 0.291
82 1HB CYS 12 1HB CYS 12 3.019 -0.601 -0.523
83 2HB CYS 12 2HB CYS 12 1.270 -0.455 -0.650
84 H TYR 13 H TYR 13 1.347 -3.902 -2.630
85 HA TYR 13 HA TYR 13 -1.521 -3.279 -2.727
86 1HB TYR 13 1HB TYR 13 0.421 -4.818 -4.416
87 2HB TYR 13 2HB TYR 13 -1.234 -5.386 -4.385
88 HD1 TYR 13 HD1 TYR 13 0.418 -1.992 -4.409
89 HD2 TYR 13 HD2 TYR 13 -2.566 -4.567 -6.162
90 HE1 TYR 13 HE1 TYR 13 -0.476 -0.084 -5.657
91 HE2 TYR 13 HE2 TYR 13 -3.510 -2.642 -7.374
92 HH TYR 13 HH TYR 13 -2.579 0.636 -6.576
93 H ILE 14 H ILE 14 0.500 -6.203 -2.039
94 HA ILE 14 HA ILE 14 -1.694 -7.799 -1.393
95 HB ILE 14 HB ILE 14 1.057 -8.237 -0.199
96 1HG1 ILE 14 2HG1 ILE 14 1.661 -9.488 -2.211
97 2HG1 ILE 14 1HG1 ILE 14 1.555 -7.766 -2.484
98 1HG2 ILE 14 1HG2 ILE 14 -1.201 -10.099 -1.041
99 2HG2 ILE 14 2HG2 ILE 14 0.413 -10.632 -0.526
100 3HG2 ILE 14 3HG2 ILE 14 -0.630 -9.769 0.606
101 1HD1 ILE 14 1HD1 ILE 14 -0.567 -9.796 -3.297
102 2HD1 ILE 14 2HD1 ILE 14 -0.618 -8.056 -3.639
103 3HD1 ILE 14 3HD1 ILE 14 0.645 -9.064 -4.360
104 HA PRO 15 HA PRO 15 -1.067 -7.161 3.259
105 1HB PRO 15 1HB PRO 15 0.027 -4.817 4.249
106 2HB PRO 15 2HB PRO 15 0.928 -6.344 3.978
107 1HG PRO 15 2HG PRO 15 2.196 -4.867 2.611
108 2HG PRO 15 1HG PRO 15 0.738 -3.933 2.148
109 1HD PRO 15 1HD PRO 15 0.956 -5.321 0.270
110 2HD PRO 15 2HD PRO 15 1.588 -6.684 1.232
111 H CYS 16 H CYS 16 -1.479 -3.971 1.551
112 HA CYS 16 HA CYS 16 -3.648 -3.142 3.233
113 1HB CYS 16 1HB CYS 16 -2.809 -2.351 0.448
114 2HB CYS 16 2HB CYS 16 -4.193 -1.646 1.276
115 H ARG 17 H ARG 17 -3.602 -4.972 0.078
116 HA ARG 17 HA ARG 17 -6.436 -5.130 -0.148
117 1HB ARG 17 1HB ARG 17 -4.759 -5.732 -1.885
118 2HB ARG 17 2HB ARG 17 -4.347 -7.196 -1.003
119 1HG ARG 17 1HG ARG 17 -7.182 -6.606 -1.980
120 2HG ARG 17 2HG ARG 17 -5.950 -7.271 -3.016
121 1HD ARG 17 2HD ARG 17 -5.662 -9.136 -1.212
122 2HD ARG 17 1HD ARG 17 -6.913 -9.184 -2.461
123 HE ARG 17 HE ARG 17 -7.837 -7.911 -0.033
124 1HH1 ARG 17 1HH1 ARG 17 -7.279 -11.094 -1.520
125 2HH1 ARG 17 2HH1 ARG 17 -8.616 -11.838 -0.699
126 1HH2 ARG 17 1HH2 ARG 17 -9.583 -9.008 1.156
127 2HH2 ARG 17 2HH2 ARG 17 -9.914 -10.630 0.821
128 H TYR 18 H TYR 18 -4.054 -7.159 1.662
129 HA TYR 18 HA TYR 18 -5.995 -8.960 2.672
130 1HB TYR 18 1HB TYR 18 -3.209 -8.560 2.964
131 2HB TYR 18 2HB TYR 18 -3.837 -8.405 4.583
132 HD1 TYR 18 HD1 TYR 18 -5.769 -10.297 5.137
133 HD2 TYR 18 HD2 TYR 18 -2.561 -10.683 2.270
134 HE1 TYR 18 HE1 TYR 18 -5.914 -12.753 5.304
135 HE2 TYR 18 HE2 TYR 18 -2.729 -13.136 2.408
136 HH TYR 18 HH TYR 18 -5.343 -14.777 4.162
137 H ILE 19 H ILE 19 -4.767 -5.912 4.118
138 HA ILE 19 HA ILE 19 -6.276 -6.155 6.533
139 HB ILE 19 HB ILE 19 -4.819 -3.833 5.211
140 1HG1 ILE 19 1HG1 ILE 19 -3.949 -5.360 7.693
141 2HG1 ILE 19 2HG1 ILE 19 -3.601 -6.011 6.107
142 1HG2 ILE 19 1HG2 ILE 19 -5.981 -3.988 8.025
143 2HG2 ILE 19 2HG2 ILE 19 -4.828 -2.750 7.490
144 3HG2 ILE 19 3HG2 ILE 19 -6.417 -2.823 6.753
145 1HD1 ILE 19 1HD1 ILE 19 -2.436 -3.885 5.482
146 2HD1 ILE 19 2HD1 ILE 19 -2.684 -3.325 7.146
147 3HD1 ILE 19 3HD1 ILE 19 -1.682 -4.753 6.832
148 H THR 20 H THR 20 -6.771 -4.022 3.665
149 HA THR 20 HA THR 20 -9.291 -2.999 4.748
150 HB THR 20 HB THR 20 -7.585 -2.382 2.301
151 HG1 THR 20 HG1 THR 20 -7.918 -1.048 4.791
152 1HG2 THR 20 1HG2 THR 20 -9.946 -0.848 3.431
153 2HG2 THR 20 2HG2 THR 20 -8.720 -0.168 2.328
154 3HG2 THR 20 3HG2 THR 20 -9.756 -1.503 1.790
155 H GLY 21 H GLY 21 -8.346 -5.601 2.643
156 1HA GLY 21 1HA GLY 21 -9.656 -7.124 1.571
157 2HA GLY 21 2HA GLY 21 -11.110 -6.196 1.934
158 H CYS 22 H CYS 22 -11.125 -3.986 0.821
159 HA CYS 22 HA CYS 22 -11.252 -4.303 -1.991
160 1HB CYS 22 1HB CYS 22 -11.199 -1.810 -0.263
161 2HB CYS 22 2HB CYS 22 -11.723 -1.863 -1.945
162 H PHE 23 H PHE 23 -9.717 -4.179 -3.476
163 HA PHE 23 HA PHE 23 -7.004 -3.414 -3.003
164 1HB PHE 23 1HB PHE 23 -8.719 -4.350 -5.254
165 2HB PHE 23 2HB PHE 23 -7.514 -3.227 -5.782
166 HD1 PHE 23 HD1 PHE 23 -5.112 -3.871 -4.136
167 HD2 PHE 23 HD2 PHE 23 -8.012 -6.437 -6.060
168 HE1 PHE 23 HE1 PHE 23 -3.430 -5.647 -4.326
169 HE2 PHE 23 HE2 PHE 23 -6.275 -8.164 -6.351
170 HZ PHE 23 HZ PHE 23 -3.958 -7.768 -5.481
171 H ASN 24 H ASN 24 -5.893 -1.730 -3.922
172 HA ASN 24 HA ASN 24 -5.716 0.005 -5.603
173 1HB ASN 24 1HB ASN 24 -8.092 0.618 -5.737
174 2HB ASN 24 2HB ASN 24 -7.953 1.433 -4.171
175 2HD2 ASN 24 1HD2 ASN 24 -8.353 3.522 -5.021
176 1HD2 ASN 24 2HD2 ASN 24 -7.219 4.385 -6.033
177 H SER 25 H SER 25 -3.824 -0.549 -4.193
178 HA SER 25 HA SER 25 -3.299 1.459 -2.114
179 1HB SER 25 1HB SER 25 -1.384 -0.583 -3.259
180 2HB SER 25 2HB SER 25 -1.199 0.364 -1.782
181 HG SER 25 HG SER 25 -1.844 -1.626 -1.193
182 H ARG 26 H ARG 26 -1.581 3.024 -2.296
183 HA ARG 26 HA ARG 26 -0.228 3.337 -4.890
184 1HB ARG 26 1HB ARG 26 -2.242 4.831 -4.837
185 2HB ARG 26 2HB ARG 26 -1.646 5.572 -3.352
186 1HG ARG 26 1HG ARG 26 0.383 5.654 -5.481
187 2HG ARG 26 2HG ARG 26 -1.131 6.304 -6.066
188 1HD ARG 26 1HD ARG 26 -1.050 8.185 -4.790
189 2HD ARG 26 2HD ARG 26 -0.349 7.352 -3.400
190 HE ARG 26 HE ARG 26 1.797 7.572 -4.235
191 1HH1 ARG 26 1HH1 ARG 26 -0.386 9.232 -6.570
192 2HH1 ARG 26 2HH1 ARG 26 0.956 9.661 -7.577
193 1HH2 ARG 26 1HH2 ARG 26 3.478 8.389 -5.419
194 2HH2 ARG 26 2HH2 ARG 26 3.179 9.368 -6.781
195 H CYS 27 H CYS 27 1.824 4.574 -4.509
196 HA CYS 27 HA CYS 27 2.658 4.629 -1.669
197 1HB CYS 27 1HB CYS 27 4.161 3.476 -4.030
198 2HB CYS 27 2HB CYS 27 4.982 4.073 -2.587
199 H ILE 28 H ILE 28 3.660 6.482 -1.080
200 HA ILE 28 HA ILE 28 4.140 8.593 -3.067
201 HB ILE 28 HB ILE 28 1.777 8.557 -2.234
202 1HG1 ILE 28 1HG1 ILE 28 2.782 10.521 -3.240
203 2HG1 ILE 28 2HG1 ILE 28 1.512 10.873 -2.078
204 1HG2 ILE 28 1HG2 ILE 28 2.073 7.853 0.069
205 2HG2 ILE 28 2HG2 ILE 28 2.909 9.367 0.450
206 3HG2 ILE 28 3HG2 ILE 28 1.209 9.397 -0.040
207 1HD1 ILE 28 1HD1 ILE 28 4.495 11.167 -1.543
208 2HD1 ILE 28 2HD1 ILE 28 3.345 12.461 -1.888
209 3HD1 ILE 28 3HD1 ILE 28 3.185 11.528 -0.396
210 H ASN 29 H ASN 29 6.069 9.503 -2.622
211 HA ASN 29 HA ASN 29 8.210 9.322 -1.869
212 1HB ASN 29 1HB ASN 29 7.362 11.465 -1.015
213 2HB ASN 29 2HB ASN 29 6.966 10.678 0.526
214 2HD2 ASN 29 1HD2 ASN 29 8.551 11.802 1.824
215 1HD2 ASN 29 2HD2 ASN 29 10.276 11.573 1.578
216 H LYS 30 H LYS 30 7.803 6.975 -1.815
217 HA LYS 30 HA LYS 30 8.089 4.927 -1.060
218 1HB LYS 30 1HB LYS 30 10.202 6.458 0.016
219 2HB LYS 30 2HB LYS 30 9.659 5.460 1.348
220 1HG LYS 30 1HG LYS 30 11.430 4.347 0.212
221 2HG LYS 30 2HG LYS 30 9.965 3.419 -0.099
222 1HD LYS 30 1HD LYS 30 10.742 5.574 -2.059
223 2HD LYS 30 2HD LYS 30 11.747 4.127 -2.026
224 1HE LYS 30 1HE LYS 30 10.089 2.724 -2.754
225 2HE LYS 30 2HE LYS 30 8.770 3.746 -2.242
226 1HZ LYS 30 1HZ LYS 30 10.562 4.326 -4.508
227 2HZ LYS 30 2HZ LYS 30 9.054 3.759 -4.647
228 3HZ LYS 30 3HZ LYS 30 9.299 5.283 -4.037
229 H SER 31 H SER 31 6.050 6.773 0.878
230 HA SER 31 HA SER 31 5.611 4.448 2.678
231 1HB SER 31 1HB SER 31 5.848 6.893 3.503
232 2HB SER 31 2HB SER 31 4.227 7.130 2.817
233 HG SER 31 HG SER 31 5.047 5.190 4.749
234 H CYS 32 H CYS 32 3.235 3.897 2.985
235 HA CYS 32 HA CYS 32 2.038 3.562 0.301
236 1HB CYS 32 1HB CYS 32 1.134 2.279 2.887
237 2HB CYS 32 2HB CYS 32 0.741 1.811 1.241
238 H LYS 33 H LYS 33 -0.109 4.076 -0.107
239 HA LYS 33 HA LYS 33 -1.797 5.327 1.925
240 1HB LYS 33 1HB LYS 33 -0.842 6.698 -0.605
241 2HB LYS 33 2HB LYS 33 -2.505 6.948 -0.071
242 1HG LYS 33 1HG LYS 33 -0.091 7.403 1.742
243 2HG LYS 33 2HG LYS 33 -0.842 8.648 0.770
244 1HD LYS 33 1HD LYS 33 -2.498 8.988 2.202
245 2HD LYS 33 2HD LYS 33 -2.923 7.300 2.316
246 1HE LYS 33 1HE LYS 33 -0.624 8.579 3.869
247 2HE LYS 33 2HE LYS 33 -2.271 8.413 4.487
248 1HZ LYS 33 1HZ LYS 33 -2.066 6.016 4.257
249 2HZ LYS 33 2HZ LYS 33 -0.492 6.155 3.772
250 3HZ LYS 33 3HZ LYS 33 -0.961 6.626 5.279
251 H CYS 34 H CYS 34 -3.393 3.891 1.947
252 HA CYS 34 HA CYS 34 -3.910 2.377 -0.554
253 1HB CYS 34 1HB CYS 34 -4.100 1.562 2.336
254 2HB CYS 34 2HB CYS 34 -4.656 0.580 0.972
255 H TYR 35 H TYR 35 -5.672 2.968 -1.599
256 HA TYR 35 HA TYR 35 -7.686 4.597 -0.232
257 1HB TYR 35 1HB TYR 35 -7.555 3.487 -3.047
258 2HB TYR 35 2HB TYR 35 -8.773 4.592 -2.438
259 HD1 TYR 35 HD1 TYR 35 -5.214 4.303 -3.502
260 HD2 TYR 35 HD2 TYR 35 -8.297 6.955 -2.079
261 HE1 TYR 35 HE1 TYR 35 -3.782 6.265 -4.003
262 HE2 TYR 35 HE2 TYR 35 -6.871 8.894 -2.534
263 HH TYR 35 HH TYR 35 -4.799 9.609 -3.250
264 H GLY 36 H GLY 36 -9.161 3.596 0.972
265 1HA GLY 36 1HA GLY 36 -9.806 0.726 0.540
266 2HA GLY 36 2HA GLY 36 -10.224 1.692 1.966
267 H CYS 37 H CYS 37 -12.353 0.636 1.372
268 HA CYS 37 HA CYS 37 -13.757 2.020 -0.866
269 1HB CYS 37 1HB CYS 37 -15.301 -0.004 -0.530
270 2HB CYS 37 2HB CYS 37 -13.758 -0.216 -1.350
271 H THR 38 H THR 38 -14.313 0.781 2.474
272 HA THR 38 HA THR 38 -15.733 1.401 4.095
273 HB THR 38 HB THR 38 -16.418 4.004 2.724
274 HG1 THR 38 HG1 THR 38 -14.400 4.378 2.880
275 1HG2 THR 38 1HG2 THR 38 -16.267 3.082 5.628
276 2HG2 THR 38 2HG2 THR 38 -16.681 4.727 5.090
277 3HG2 THR 38 3HG2 THR 38 -17.751 3.368 4.706
No H/Q in entry = 277
Start of MODEL 10
1 H1 ASP 1 H1 ASP 1 9.451 3.282 13.691
2 H2 ASP 1 H2 ASP 1 9.636 2.383 15.053
3 H3 ASP 1 H3 ASP 1 10.856 2.461 13.953
4 HA ASP 1 HA ASP 1 9.675 1.210 12.365
5 1HB ASP 1 1HB ASP 1 10.804 -0.102 14.137
6 2HB ASP 1 2HB ASP 1 9.326 -0.080 15.111
7 H GLU 2 H GLU 2 7.774 2.063 11.431
8 HA GLU 2 HA GLU 2 5.237 1.844 12.926
9 1HB GLU 2 1HB GLU 2 5.025 4.279 13.109
10 2HB GLU 2 2HB GLU 2 6.445 3.710 13.955
11 1HG GLU 2 1HG GLU 2 7.479 4.267 11.393
12 2HG GLU 2 2HG GLU 2 6.248 5.504 11.597
13 H ALA 3 H ALA 3 6.590 1.536 9.951
14 HA ALA 3 HA ALA 3 4.219 2.494 8.507
15 1HB ALA 3 1HB ALA 3 5.835 4.395 8.456
16 2HB ALA 3 3HB ALA 3 5.605 3.685 6.853
17 3HB ALA 3 2HB ALA 3 7.075 3.313 7.779
18 H ILE 4 H ILE 4 4.653 1.773 6.037
19 HA ILE 4 HA ILE 4 5.978 -0.889 5.993
20 HB ILE 4 HB ILE 4 3.220 -0.199 4.908
21 1HG1 ILE 4 1HG1 ILE 4 3.981 -2.247 7.048
22 2HG1 ILE 4 2HG1 ILE 4 3.349 -0.646 7.417
23 1HG2 ILE 4 1HG2 ILE 4 4.523 -1.738 3.408
24 2HG2 ILE 4 2HG2 ILE 4 4.775 -2.832 4.780
25 3HG2 ILE 4 3HG2 ILE 4 3.143 -2.542 4.128
26 1HD1 ILE 4 1HD1 ILE 4 1.265 -1.128 6.221
27 2HD1 ILE 4 2HD1 ILE 4 1.823 -2.786 5.903
28 3HD1 ILE 4 3HD1 ILE 4 1.559 -2.238 7.567
29 H ARG 5 H ARG 5 7.756 0.132 5.062
30 HA ARG 5 HA ARG 5 7.549 1.851 2.754
31 1HB ARG 5 1HB ARG 5 9.455 1.520 4.547
32 2HB ARG 5 2HB ARG 5 10.053 0.281 3.449
33 1HG ARG 5 1HG ARG 5 10.409 1.867 1.689
34 2HG ARG 5 2HG ARG 5 9.383 3.091 2.456
35 1HD ARG 5 1HD ARG 5 12.056 2.146 3.527
36 2HD ARG 5 2HD ARG 5 11.772 3.654 2.652
37 HE ARG 5 HE ARG 5 10.209 4.329 4.469
38 1HH1 ARG 5 1HH1 ARG 5 13.049 2.373 5.159
39 2HH1 ARG 5 2HH1 ARG 5 12.830 2.350 6.880
40 1HH2 ARG 5 1HH2 ARG 5 9.934 4.442 6.753
41 2HH2 ARG 5 2HH2 ARG 5 11.143 3.783 7.817
42 H CYS 6 H CYS 6 7.563 1.318 0.587
43 HA CYS 6 HA CYS 6 6.971 -1.502 -0.022
44 1HB CYS 6 2HB CYS 6 5.479 0.543 -0.548
45 2HB CYS 6 1HB CYS 6 5.675 -0.743 -1.730
46 H THR 7 H THR 7 7.755 -2.342 -2.133
47 HA THR 7 HA THR 7 10.427 -1.289 -2.912
48 HB THR 7 HB THR 7 10.446 -3.505 -1.912
49 HG1 THR 7 HG1 THR 7 11.978 -3.144 -3.345
50 1HG2 THR 7 1HG2 THR 7 8.659 -4.403 -4.210
51 2HG2 THR 7 2HG2 THR 7 9.561 -5.472 -3.114
52 3HG2 THR 7 3HG2 THR 7 8.294 -4.434 -2.467
53 H GLY 8 H GLY 8 7.131 -1.584 -3.961
54 1HA GLY 8 1HA GLY 8 7.566 -0.003 -6.222
55 2HA GLY 8 2HA GLY 8 7.292 -1.683 -6.738
56 H THR 9 H THR 9 5.455 0.317 -7.312
57 HA THR 9 HA THR 9 3.472 1.019 -5.574
58 HB THR 9 HB THR 9 3.248 0.429 -8.542
59 HG1 THR 9 HG1 THR 9 4.351 2.198 -8.779
60 1HG2 THR 9 1HG2 THR 9 1.654 2.318 -6.751
61 2HG2 THR 9 2HG2 THR 9 1.567 2.240 -8.528
62 3HG2 THR 9 3HG2 THR 9 1.026 0.864 -7.556
63 H LYS 10 H LYS 10 3.284 -1.890 -7.706
64 HA LYS 10 HA LYS 10 0.766 -2.776 -6.691
65 1HB LYS 10 1HB LYS 10 3.084 -4.276 -7.954
66 2HB LYS 10 2HB LYS 10 1.543 -5.040 -7.553
67 1HG LYS 10 1HG LYS 10 0.339 -3.420 -8.946
68 2HG LYS 10 2HG LYS 10 1.863 -2.711 -9.493
69 1HD LYS 10 1HD LYS 10 1.173 -5.670 -9.845
70 2HD LYS 10 2HD LYS 10 0.684 -4.420 -10.977
71 1HE LYS 10 1HE LYS 10 2.627 -5.424 -11.854
72 2HE LYS 10 2HE LYS 10 3.040 -3.772 -11.358
73 1HZ LYS 10 1HZ LYS 10 3.671 -6.194 -9.752
74 2HZ LYS 10 2HZ LYS 10 4.718 -5.456 -10.776
75 3HZ LYS 10 3HZ LYS 10 4.185 -4.680 -9.450
76 H ASP 11 H ASP 11 3.970 -3.014 -5.208
77 HA ASP 11 HA ASP 11 3.558 -5.515 -3.948
78 1HB ASP 11 1HB ASP 11 5.733 -4.148 -4.280
79 2HB ASP 11 2HB ASP 11 5.279 -3.302 -2.789
80 H CYS 12 H CYS 12 2.706 -2.217 -2.976
81 HA CYS 12 HA CYS 12 1.884 -2.772 -0.301
82 1HB CYS 12 1HB CYS 12 0.825 -0.716 -2.287
83 2HB CYS 12 2HB CYS 12 0.595 -0.675 -0.536
84 H TYR 13 H TYR 13 0.353 -3.612 -3.348
85 HA TYR 13 HA TYR 13 -2.362 -3.352 -2.392
86 1HB TYR 13 1HB TYR 13 -1.211 -4.786 -4.818
87 2HB TYR 13 2HB TYR 13 -2.901 -4.737 -4.411
88 HD1 TYR 13 HD1 TYR 13 -0.222 -2.000 -4.537
89 HD2 TYR 13 HD2 TYR 13 -4.092 -3.385 -5.829
90 HE1 TYR 13 HE1 TYR 13 -0.583 0.125 -5.680
91 HE2 TYR 13 HE2 TYR 13 -4.474 -1.221 -6.979
92 HH TYR 13 HH TYR 13 -2.781 1.503 -6.392
93 H ILE 14 H ILE 14 0.158 -5.792 -1.952
94 HA ILE 14 HA ILE 14 -1.707 -7.915 -1.330
95 HB ILE 14 HB ILE 14 1.261 -7.619 -0.718
96 1HG1 ILE 14 2HG1 ILE 14 -0.331 -9.245 -2.742
97 2HG1 ILE 14 1HG1 ILE 14 1.293 -9.698 -2.235
98 1HG2 ILE 14 1HG2 ILE 14 -0.681 -9.875 -0.057
99 2HG2 ILE 14 2HG2 ILE 14 1.085 -10.033 -0.024
100 3HG2 ILE 14 3HG2 ILE 14 0.297 -8.934 1.089
101 1HD1 ILE 14 1HD1 ILE 14 2.162 -7.496 -3.004
102 2HD1 ILE 14 2HD1 ILE 14 1.496 -8.520 -4.283
103 3HD1 ILE 14 3HD1 ILE 14 0.559 -7.144 -3.698
104 HA PRO 15 HA PRO 15 -1.156 -6.853 3.240
105 1HB PRO 15 1HB PRO 15 0.001 -4.493 4.086
106 2HB PRO 15 2HB PRO 15 0.876 -6.040 3.876
107 1HG PRO 15 2HG PRO 15 2.136 -4.630 2.420
108 2HG PRO 15 1HG PRO 15 0.666 -3.734 1.915
109 1HD PRO 15 1HD PRO 15 0.878 -5.262 0.125
110 2HD PRO 15 2HD PRO 15 1.507 -6.553 1.189
111 H CYS 16 H CYS 16 -1.641 -3.921 1.133
112 HA CYS 16 HA CYS 16 -3.767 -2.901 2.762
113 1HB CYS 16 1HB CYS 16 -3.164 -2.546 -0.179
114 2HB CYS 16 2HB CYS 16 -4.439 -1.703 0.686
115 H ARG 17 H ARG 17 -3.928 -5.107 -0.218
116 HA ARG 17 HA ARG 17 -6.786 -5.266 0.024
117 1HB ARG 17 1HB ARG 17 -5.506 -5.874 -2.027
118 2HB ARG 17 2HB ARG 17 -4.892 -7.313 -1.194
119 1HG ARG 17 1HG ARG 17 -7.821 -7.142 -1.060
120 2HG ARG 17 2HG ARG 17 -7.281 -7.015 -2.714
121 1HD ARG 17 1HD ARG 17 -6.456 -9.240 -0.799
122 2HD ARG 17 2HD ARG 17 -7.812 -9.329 -1.932
123 HE ARG 17 HE ARG 17 -5.137 -8.648 -3.012
124 1HH1 ARG 17 1HH1 ARG 17 -7.716 -11.122 -2.764
125 2HH1 ARG 17 2HH1 ARG 17 -7.164 -11.976 -4.160
126 1HH2 ARG 17 1HH2 ARG 17 -4.359 -9.856 -4.698
127 2HH2 ARG 17 2HH2 ARG 17 -5.108 -11.333 -5.222
128 H TYR 18 H TYR 18 -4.138 -7.004 1.692
129 HA TYR 18 HA TYR 18 -5.904 -8.934 2.903
130 1HB TYR 18 1HB TYR 18 -3.095 -8.067 3.251
131 2HB TYR 18 2HB TYR 18 -3.866 -8.470 4.761
132 HD1 TYR 18 HD1 TYR 18 -5.341 -10.677 4.778
133 HD2 TYR 18 HD2 TYR 18 -2.001 -9.872 2.162
134 HE1 TYR 18 HE1 TYR 18 -4.915 -13.091 4.605
135 HE2 TYR 18 HE2 TYR 18 -1.582 -12.312 1.954
136 HH TYR 18 HH TYR 18 -3.321 -14.629 4.037
137 H ILE 19 H ILE 19 -4.434 -6.032 4.390
138 HA ILE 19 HA ILE 19 -6.114 -6.145 6.691
139 HB ILE 19 HB ILE 19 -4.206 -3.963 5.763
140 1HG1 ILE 19 1HG1 ILE 19 -3.488 -6.189 7.709
141 2HG1 ILE 19 2HG1 ILE 19 -3.225 -6.420 5.999
142 1HG2 ILE 19 1HG2 ILE 19 -5.730 -3.314 7.644
143 2HG2 ILE 19 2HG2 ILE 19 -5.189 -4.723 8.555
144 3HG2 ILE 19 3HG2 ILE 19 -4.053 -3.410 8.176
145 1HD1 ILE 19 1HD1 ILE 19 -1.796 -4.387 5.923
146 2HD1 ILE 19 2HD1 ILE 19 -1.930 -4.295 7.693
147 3HD1 ILE 19 3HD1 ILE 19 -1.176 -5.703 6.935
148 H THR 20 H THR 20 -5.897 -3.624 4.088
149 HA THR 20 HA THR 20 -8.250 -2.246 5.061
150 HB THR 20 HB THR 20 -6.215 -1.894 2.889
151 HG1 THR 20 HG1 THR 20 -6.052 -0.788 4.872
152 1HG2 THR 20 1HG2 THR 20 -8.314 -1.607 1.583
153 2HG2 THR 20 2HG2 THR 20 -8.831 -0.361 2.730
154 3HG2 THR 20 3HG2 THR 20 -7.364 -0.144 1.740
155 H GLY 21 H GLY 21 -7.803 -5.068 3.082
156 1HA GLY 21 1HA GLY 21 -9.551 -6.501 2.529
157 2HA GLY 21 2HA GLY 21 -10.729 -5.222 2.823
158 H CYS 22 H CYS 22 -10.175 -3.217 1.196
159 HA CYS 22 HA CYS 22 -10.360 -4.354 -1.539
160 1HB CYS 22 1HB CYS 22 -10.714 -1.527 -0.492
161 2HB CYS 22 2HB CYS 22 -10.828 -1.985 -2.195
162 H PHE 23 H PHE 23 -9.021 -3.755 -3.221
163 HA PHE 23 HA PHE 23 -6.241 -3.544 -2.650
164 1HB PHE 23 1HB PHE 23 -5.965 -4.018 -4.885
165 2HB PHE 23 2HB PHE 23 -7.501 -4.757 -4.551
166 HD1 PHE 23 HD1 PHE 23 -9.445 -2.411 -4.796
167 HD2 PHE 23 HD2 PHE 23 -5.958 -3.427 -7.151
168 HE1 PHE 23 HE1 PHE 23 -10.376 -1.204 -6.709
169 HE2 PHE 23 HE2 PHE 23 -6.898 -2.162 -9.042
170 HZ PHE 23 HZ PHE 23 -9.115 -1.059 -8.843
171 H ASN 24 H ASN 24 -8.192 -0.945 -2.390
172 HA ASN 24 HA ASN 24 -7.152 0.911 -4.323
173 1HB ASN 24 1HB ASN 24 -9.386 1.006 -3.087
174 2HB ASN 24 2HB ASN 24 -8.504 1.609 -1.681
175 2HD2 ASN 24 1HD2 ASN 24 -10.282 3.426 -2.317
176 1HD2 ASN 24 2HD2 ASN 24 -9.680 4.632 -3.431
177 H SER 25 H SER 25 -4.851 1.109 -4.278
178 HA SER 25 HA SER 25 -3.675 2.285 -1.821
179 1HB SER 25 1HB SER 25 -2.598 -0.244 -3.141
180 2HB SER 25 2HB SER 25 -2.029 0.507 -1.637
181 HG SER 25 HG SER 25 -4.603 0.107 -1.342
182 H ARG 26 H ARG 26 -1.333 2.816 -2.014
183 HA ARG 26 HA ARG 26 -0.165 3.233 -4.678
184 1HB ARG 26 1HB ARG 26 -1.872 5.099 -4.227
185 2HB ARG 26 2HB ARG 26 -0.946 5.524 -2.792
186 1HG ARG 26 1HG ARG 26 1.010 6.060 -4.340
187 2HG ARG 26 2HG ARG 26 -0.089 5.757 -5.703
188 1HD ARG 26 1HD ARG 26 -1.596 7.537 -4.791
189 2HD ARG 26 2HD ARG 26 -0.429 7.825 -3.494
190 HE ARG 26 HE ARG 26 0.341 8.068 -6.375
191 1HH1 ARG 26 1HH1 ARG 26 -0.131 9.737 -3.279
192 2HH1 ARG 26 2HH1 ARG 26 0.683 11.169 -3.735
193 1HH2 ARG 26 1HH2 ARG 26 1.192 10.064 -7.114
194 2HH2 ARG 26 2HH2 ARG 26 1.336 11.383 -6.027
195 H CYS 27 H CYS 27 2.093 4.108 -4.434
196 HA CYS 27 HA CYS 27 3.283 3.737 -1.707
197 1HB CYS 27 1HB CYS 27 4.581 3.726 -4.469
198 2HB CYS 27 2HB CYS 27 5.460 3.858 -2.960
199 H ILE 28 H ILE 28 3.697 5.812 -0.791
200 HA ILE 28 HA ILE 28 4.460 7.955 -2.665
201 HB ILE 28 HB ILE 28 2.142 8.370 -2.310
202 1HG1 ILE 28 1HG1 ILE 28 2.184 10.604 -1.311
203 2HG1 ILE 28 2HG1 ILE 28 3.779 10.293 -0.618
204 1HG2 ILE 28 1HG2 ILE 28 1.680 7.120 -0.278
205 2HG2 ILE 28 2HG2 ILE 28 2.625 8.267 0.687
206 3HG2 ILE 28 3HG2 ILE 28 1.126 8.784 -0.105
207 1HD1 ILE 28 1HD1 ILE 28 3.161 10.233 -3.613
208 2HD1 ILE 28 2HD1 ILE 28 3.766 11.653 -2.741
209 3HD1 ILE 28 3HD1 ILE 28 4.763 10.194 -2.854
210 H ASN 29 H ASN 29 6.288 8.870 -2.068
211 HA ASN 29 HA ASN 29 8.269 9.132 -1.074
212 1HB ASN 29 1HB ASN 29 6.984 10.523 0.557
213 2HB ASN 29 2HB ASN 29 6.876 9.108 1.618
214 2HD2 ASN 29 1HD2 ASN 29 8.715 8.603 2.870
215 1HD2 ASN 29 2HD2 ASN 29 10.261 9.418 2.742
216 H LYS 30 H LYS 30 7.651 6.718 -1.944
217 HA LYS 30 HA LYS 30 7.971 4.469 -1.878
218 1HB LYS 30 1HB LYS 30 10.305 5.430 -1.437
219 2HB LYS 30 2HB LYS 30 10.077 4.937 0.244
220 1HG LYS 30 1HG LYS 30 9.781 2.568 -0.538
221 2HG LYS 30 2HG LYS 30 10.020 3.103 -2.207
222 1HD LYS 30 1HD LYS 30 12.291 3.860 -1.638
223 2HD LYS 30 2HD LYS 30 12.019 3.451 0.072
224 1HE LYS 30 1HE LYS 30 11.618 1.050 -0.646
225 2HE LYS 30 2HE LYS 30 12.092 1.519 -2.281
226 1HZ LYS 30 1HZ LYS 30 14.230 2.284 -1.274
227 2HZ LYS 30 2HZ LYS 30 13.769 1.574 0.149
228 3HZ LYS 30 3HZ LYS 30 14.002 0.656 -1.173
229 H SER 31 H SER 31 6.288 5.879 0.583
230 HA SER 31 HA SER 31 6.249 3.534 2.358
231 1HB SER 31 1HB SER 31 6.397 6.140 2.917
232 2HB SER 31 2HB SER 31 4.637 6.048 2.745
233 HG SER 31 HG SER 31 5.736 5.682 4.852
234 H CYS 32 H CYS 32 4.516 2.098 2.304
235 HA CYS 32 HA CYS 32 2.589 2.232 0.169
236 1HB CYS 32 1HB CYS 32 2.733 0.614 2.759
237 2HB CYS 32 2HB CYS 32 1.419 0.465 1.609
238 H LYS 33 H LYS 33 0.565 2.973 0.146
239 HA LYS 33 HA LYS 33 -0.734 3.805 2.644
240 1HB LYS 33 1HB LYS 33 -0.270 5.505 0.139
241 2HB LYS 33 2HB LYS 33 -1.695 5.740 1.139
242 1HG LYS 33 2HG LYS 33 -0.017 7.353 1.770
243 2HG LYS 33 1HG LYS 33 1.191 6.087 2.068
244 1HD LYS 33 1HD LYS 33 -1.478 6.114 3.511
245 2HD LYS 33 2HD LYS 33 0.017 5.272 3.963
246 1HE LYS 33 1HE LYS 33 1.080 7.297 4.652
247 2HE LYS 33 2HE LYS 33 -0.222 8.289 3.961
248 1HZ LYS 33 1HZ LYS 33 -0.745 6.309 6.077
249 2HZ LYS 33 2HZ LYS 33 -0.386 7.880 6.426
250 3HZ LYS 33 3HZ LYS 33 -1.725 7.525 5.543
251 H CYS 34 H CYS 34 -2.681 3.011 2.769
252 HA CYS 34 HA CYS 34 -3.928 1.780 0.368
253 1HB CYS 34 2HB CYS 34 -5.202 0.492 1.895
254 2HB CYS 34 1HB CYS 34 -4.841 1.557 3.240
255 H TYR 35 H TYR 35 -6.339 2.322 0.262
256 HA TYR 35 HA TYR 35 -7.073 4.890 1.638
257 1HB TYR 35 1HB TYR 35 -7.780 3.940 -1.137
258 2HB TYR 35 2HB TYR 35 -8.480 5.351 -0.372
259 HD1 TYR 35 HD1 TYR 35 -7.056 7.370 0.088
260 HD2 TYR 35 HD2 TYR 35 -5.701 4.057 -2.312
261 HE1 TYR 35 HE1 TYR 35 -5.360 8.836 -0.972
262 HE2 TYR 35 HE2 TYR 35 -4.020 5.508 -3.391
263 HH TYR 35 HH TYR 35 -3.831 8.095 -3.826
264 H GLY 36 H GLY 36 -9.551 5.023 1.737
265 1HA GLY 36 1HA GLY 36 -10.642 2.525 2.767
266 2HA GLY 36 2HA GLY 36 -11.502 4.067 2.556
267 H CYS 37 H CYS 37 -12.446 1.419 1.842
268 HA CYS 37 HA CYS 37 -12.441 1.296 -1.069
269 1HB CYS 37 1HB CYS 37 -12.863 -0.596 0.743
270 2HB CYS 37 2HB CYS 37 -14.538 -0.060 0.602
271 H THR 38 H THR 38 -14.576 1.546 -2.286
272 HA THR 38 HA THR 38 -16.282 3.707 -1.202
273 HB THR 38 HB THR 38 -15.054 3.867 -3.977
274 HG1 THR 38 HG1 THR 38 -13.300 3.906 -2.648
275 1HG2 THR 38 1HG2 THR 38 -17.030 5.268 -3.493
276 2HG2 THR 38 2HG2 THR 38 -16.198 5.971 -2.088
277 3HG2 THR 38 3HG2 THR 38 -15.579 6.257 -3.732
No H/Q in entry = 277
Start of MODEL 11
1 H1 ASP 1 H1 ASP 1 5.164 6.693 13.633
2 H2 ASP 1 H2 ASP 1 3.651 6.069 13.453
3 H3 ASP 1 H3 ASP 1 4.221 6.453 14.960
4 HA ASP 1 HA ASP 1 5.876 4.810 14.860
5 1HB ASP 1 1HB ASP 1 3.058 3.835 14.412
6 2HB ASP 1 2HB ASP 1 4.394 2.737 14.769
7 H GLU 2 H GLU 2 5.519 2.327 13.324
8 HA GLU 2 HA GLU 2 7.778 2.970 11.881
9 1HB GLU 2 1HB GLU 2 6.034 0.486 11.984
10 2HB GLU 2 2HB GLU 2 7.510 0.522 11.029
11 1HG GLU 2 1HG GLU 2 7.942 -0.462 13.214
12 2HG GLU 2 2HG GLU 2 8.876 1.012 12.958
13 H ALA 3 H ALA 3 4.681 3.461 10.581
14 HA ALA 3 HA ALA 3 3.804 3.580 8.511
15 1HB ALA 3 3HB ALA 3 5.108 4.865 6.862
16 2HB ALA 3 2HB ALA 3 6.586 4.584 7.812
17 3HB ALA 3 1HB ALA 3 5.265 5.556 8.488
18 H ILE 4 H ILE 4 6.055 3.068 6.136
19 HA ILE 4 HA ILE 4 6.170 0.191 6.146
20 HB ILE 4 HB ILE 4 3.817 0.375 5.734
21 1HG1 ILE 4 1HG1 ILE 4 4.880 0.026 2.922
22 2HG1 ILE 4 2HG1 ILE 4 5.229 -1.141 4.204
23 1HG2 ILE 4 1HG2 ILE 4 4.537 2.571 3.787
24 2HG2 ILE 4 2HG2 ILE 4 2.958 1.748 3.739
25 3HG2 ILE 4 3HG2 ILE 4 3.431 2.636 5.173
26 1HD1 ILE 4 1HD1 ILE 4 2.847 -1.515 4.600
27 2HD1 ILE 4 2HD1 ILE 4 2.437 -0.388 3.301
28 3HD1 ILE 4 3HD1 ILE 4 3.312 -1.867 2.920
29 H ARG 5 H ARG 5 7.183 -0.540 3.996
30 HA ARG 5 HA ARG 5 8.493 1.691 2.538
31 1HB ARG 5 1HB ARG 5 10.048 0.751 4.193
32 2HB ARG 5 2HB ARG 5 9.833 -0.870 3.531
33 1HG ARG 5 1HG ARG 5 10.732 1.392 1.738
34 2HG ARG 5 2HG ARG 5 11.894 0.679 2.842
35 1HD ARG 5 1HD ARG 5 10.348 -0.991 0.806
36 2HD ARG 5 2HD ARG 5 11.849 -0.154 0.458
37 HE ARG 5 HE ARG 5 11.849 -1.959 2.796
38 1HH1 ARG 5 1HH1 ARG 5 12.827 -1.463 -0.615
39 2HH1 ARG 5 2HH1 ARG 5 14.249 -2.412 -0.440
40 1HH2 ARG 5 1HH2 ARG 5 13.386 -3.671 2.753
41 2HH2 ARG 5 2HH2 ARG 5 14.370 -3.906 1.334
42 H CYS 6 H CYS 6 8.102 1.606 0.395
43 HA CYS 6 HA CYS 6 7.913 -1.054 -0.899
44 1HB CYS 6 1HB CYS 6 6.319 -0.104 -2.510
45 2HB CYS 6 2HB CYS 6 5.646 -0.369 -0.914
46 H THR 7 H THR 7 9.301 -1.210 -2.562
47 HA THR 7 HA THR 7 10.776 1.232 -3.407
48 HB THR 7 HB THR 7 11.314 -1.681 -4.097
49 HG1 THR 7 HG1 THR 7 12.408 -0.079 -2.026
50 1HG2 THR 7 1HG2 THR 7 13.084 0.808 -4.140
51 2HG2 THR 7 2HG2 THR 7 13.585 -0.845 -4.563
52 3HG2 THR 7 3HG2 THR 7 12.388 -0.008 -5.556
53 H GLY 8 H GLY 8 9.094 -1.695 -4.691
54 1HA GLY 8 1HA GLY 8 8.470 -0.298 -7.228
55 2HA GLY 8 2HA GLY 8 8.229 -2.014 -6.848
56 H THR 9 H THR 9 6.338 0.244 -7.708
57 HA THR 9 HA THR 9 4.770 1.051 -5.558
58 HB THR 9 HB THR 9 4.296 0.797 -8.538
59 HG1 THR 9 HG1 THR 9 5.171 2.776 -8.475
60 1HG2 THR 9 1HG2 THR 9 2.530 2.212 -6.494
61 2HG2 THR 9 2HG2 THR 9 2.491 2.492 -8.255
62 3HG2 THR 9 3HG2 THR 9 2.044 0.911 -7.602
63 H LYS 10 H LYS 10 4.559 -2.110 -7.198
64 HA LYS 10 HA LYS 10 2.015 -2.569 -5.762
65 1HB LYS 10 1HB LYS 10 1.538 -4.397 -7.046
66 2HB LYS 10 2HB LYS 10 2.000 -3.118 -8.153
67 1HG LYS 10 1HG LYS 10 4.101 -4.191 -8.663
68 2HG LYS 10 2HG LYS 10 3.937 -5.308 -7.290
69 1HD LYS 10 1HD LYS 10 1.855 -6.235 -8.356
70 2HD LYS 10 2HD LYS 10 2.218 -5.273 -9.805
71 1HE LYS 10 1HE LYS 10 4.294 -6.455 -10.158
72 2HE LYS 10 2HE LYS 10 4.225 -7.188 -8.547
73 1HZ LYS 10 1HZ LYS 10 2.339 -7.780 -10.733
74 2HZ LYS 10 2HZ LYS 10 3.606 -8.722 -10.231
75 3HZ LYS 10 3HZ LYS 10 2.338 -8.446 -9.214
76 H ASP 11 H ASP 11 5.086 -2.624 -4.766
77 HA ASP 11 HA ASP 11 5.662 -5.215 -3.912
78 1HB ASP 11 1HB ASP 11 6.255 -2.537 -2.589
79 2HB ASP 11 2HB ASP 11 6.796 -4.063 -1.905
80 H CYS 12 H CYS 12 3.866 -2.733 -2.095
81 HA CYS 12 HA CYS 12 3.039 -4.674 -0.078
82 1HB CYS 12 1HB CYS 12 1.998 -2.634 0.925
83 2HB CYS 12 2HB CYS 12 3.724 -2.506 0.608
84 H TYR 13 H TYR 13 1.769 -4.289 -3.173
85 HA TYR 13 HA TYR 13 -0.960 -3.606 -2.647
86 1HB TYR 13 1HB TYR 13 0.470 -4.917 -4.925
87 2HB TYR 13 2HB TYR 13 -1.230 -5.224 -4.782
88 HD1 TYR 13 HD1 TYR 13 0.448 -1.923 -4.004
89 HD2 TYR 13 HD2 TYR 13 -2.126 -4.197 -6.635
90 HE1 TYR 13 HE1 TYR 13 -0.038 0.112 -5.318
91 HE2 TYR 13 HE2 TYR 13 -2.661 -2.145 -7.894
92 HH TYR 13 HH TYR 13 -2.445 0.263 -7.873
93 H ILE 14 H ILE 14 0.733 -6.541 -1.913
94 HA ILE 14 HA ILE 14 -1.663 -8.182 -1.709
95 HB ILE 14 HB ILE 14 1.202 -8.588 -0.775
96 1HG1 ILE 14 1HG1 ILE 14 0.911 -8.644 -3.194
97 2HG1 ILE 14 2HG1 ILE 14 1.434 -10.164 -2.506
98 1HG2 ILE 14 1HG2 ILE 14 -1.175 -10.462 -0.510
99 2HG2 ILE 14 2HG2 ILE 14 0.524 -10.968 -0.354
100 3HG2 ILE 14 3HG2 ILE 14 -0.170 -9.825 0.797
101 1HD1 ILE 14 1HD1 ILE 14 -1.413 -9.548 -3.413
102 2HD1 ILE 14 2HD1 ILE 14 -0.207 -10.487 -4.304
103 3HD1 ILE 14 3HD1 ILE 14 -0.846 -11.104 -2.772
104 HA PRO 15 HA PRO 15 -1.591 -7.461 2.910
105 1HB PRO 15 1HB PRO 15 0.164 -5.821 4.227
106 2HB PRO 15 2HB PRO 15 0.468 -7.551 3.891
107 1HG PRO 15 2HG PRO 15 2.359 -6.536 2.847
108 2HG PRO 15 1HG PRO 15 1.381 -5.155 2.255
109 1HD PRO 15 1HD PRO 15 1.410 -6.544 0.335
110 2HD PRO 15 2HD PRO 15 1.345 -8.030 1.327
111 H CYS 16 H CYS 16 -0.480 -4.435 1.288
112 HA CYS 16 HA CYS 16 -1.924 -2.581 2.808
113 1HB CYS 16 1HB CYS 16 -0.163 -2.139 1.122
114 2HB CYS 16 2HB CYS 16 -1.292 -2.538 -0.172
115 H ARG 17 H ARG 17 -2.937 -4.413 -0.106
116 HA ARG 17 HA ARG 17 -5.678 -3.440 -0.028
117 1HB ARG 17 1HB ARG 17 -4.619 -4.202 -2.086
118 2HB ARG 17 2HB ARG 17 -4.481 -5.838 -1.422
119 1HG ARG 17 1HG ARG 17 -7.197 -4.542 -1.478
120 2HG ARG 17 2HG ARG 17 -6.508 -5.062 -3.005
121 1HD ARG 17 1HD ARG 17 -6.305 -7.160 -0.912
122 2HD ARG 17 2HD ARG 17 -7.953 -6.673 -1.281
123 HE ARG 17 HE ARG 17 -7.857 -7.627 -3.284
124 1HH1 ARG 17 1HH1 ARG 17 -4.461 -7.525 -2.132
125 2HH1 ARG 17 2HH1 ARG 17 -3.826 -8.099 -3.635
126 1HH2 ARG 17 1HH2 ARG 17 -6.897 -8.340 -5.274
127 2HH2 ARG 17 2HH2 ARG 17 -5.336 -9.104 -5.172
128 H TYR 18 H TYR 18 -3.989 -6.434 1.131
129 HA TYR 18 HA TYR 18 -6.287 -7.829 1.919
130 1HB TYR 18 1HB TYR 18 -3.866 -8.623 1.850
131 2HB TYR 18 2HB TYR 18 -3.641 -7.832 3.408
132 HD1 TYR 18 HD1 TYR 18 -5.089 -8.624 5.401
133 HD2 TYR 18 HD2 TYR 18 -4.761 -10.791 1.681
134 HE1 TYR 18 HE1 TYR 18 -5.969 -10.646 6.502
135 HE2 TYR 18 HE2 TYR 18 -5.609 -12.834 2.791
136 HH TYR 18 HH TYR 18 -6.757 -13.592 4.723
137 H ILE 19 H ILE 19 -4.522 -5.257 3.714
138 HA ILE 19 HA ILE 19 -6.314 -5.462 6.007
139 HB ILE 19 HB ILE 19 -4.046 -3.585 5.243
140 1HG1 ILE 19 1HG1 ILE 19 -3.304 -4.400 7.605
141 2HG1 ILE 19 2HG1 ILE 19 -4.560 -5.621 7.466
142 1HG2 ILE 19 1HG2 ILE 19 -5.930 -3.283 7.625
143 2HG2 ILE 19 2HG2 ILE 19 -4.377 -2.445 7.444
144 3HG2 ILE 19 3HG2 ILE 19 -5.672 -2.114 6.310
145 1HD1 ILE 19 1HD1 ILE 19 -2.146 -5.265 5.642
146 2HD1 ILE 19 2HD1 ILE 19 -2.315 -6.474 6.911
147 3HD1 ILE 19 3HD1 ILE 19 -3.363 -6.570 5.496
148 H THR 20 H THR 20 -5.879 -2.937 3.391
149 HA THR 20 HA THR 20 -8.170 -1.582 4.392
150 HB THR 20 HB THR 20 -6.034 -0.747 3.221
151 HG1 THR 20 HG1 THR 20 -8.577 0.298 3.269
152 1HG2 THR 20 1HG2 THR 20 -6.371 -1.804 1.024
153 2HG2 THR 20 2HG2 THR 20 -7.853 -0.901 0.802
154 3HG2 THR 20 3HG2 THR 20 -6.308 -0.039 0.891
155 H GLY 21 H GLY 21 -8.262 -4.355 2.522
156 1HA GLY 21 1HA GLY 21 -10.127 -5.472 1.821
157 2HA GLY 21 2HA GLY 21 -11.127 -4.034 2.088
158 H CYS 22 H CYS 22 -11.042 -2.329 0.484
159 HA CYS 22 HA CYS 22 -11.152 -3.386 -2.185
160 1HB CYS 22 1HB CYS 22 -11.253 -0.519 -1.196
161 2HB CYS 22 2HB CYS 22 -11.542 -1.031 -2.848
162 H PHE 23 H PHE 23 -9.869 -2.941 -3.953
163 HA PHE 23 HA PHE 23 -7.059 -3.087 -3.616
164 1HB PHE 23 1HB PHE 23 -7.111 -3.261 -6.106
165 2HB PHE 23 2HB PHE 23 -8.217 -4.347 -5.294
166 HD1 PHE 23 HD1 PHE 23 -10.694 -4.048 -5.461
167 HD2 PHE 23 HD2 PHE 23 -7.956 -1.372 -7.451
168 HE1 PHE 23 HE1 PHE 23 -12.589 -2.959 -6.612
169 HE2 PHE 23 HE2 PHE 23 -9.862 -0.286 -8.606
170 HZ PHE 23 HZ PHE 23 -12.179 -1.048 -8.169
171 H ASN 24 H ASN 24 -8.356 -0.410 -2.895
172 HA ASN 24 HA ASN 24 -7.155 1.516 -4.771
173 1HB ASN 24 1HB ASN 24 -9.439 1.760 -3.869
174 2HB ASN 24 2HB ASN 24 -8.783 1.896 -2.248
175 2HD2 ASN 24 1HD2 ASN 24 -10.179 3.898 -2.543
176 1HD2 ASN 24 2HD2 ASN 24 -9.392 5.334 -3.183
177 H SER 25 H SER 25 -4.891 1.464 -4.524
178 HA SER 25 HA SER 25 -3.796 2.225 -1.901
179 1HB SER 25 2HB SER 25 -2.182 0.437 -1.923
180 2HB SER 25 1HB SER 25 -2.679 -0.088 -3.532
181 HG SER 25 HG SER 25 -4.536 -0.081 -1.399
182 H ARG 26 H ARG 26 -1.610 3.213 -2.115
183 HA ARG 26 HA ARG 26 -0.453 3.383 -4.812
184 1HB ARG 26 1HB ARG 26 -2.144 5.191 -4.806
185 2HB ARG 26 2HB ARG 26 -1.478 5.838 -3.303
186 1HG ARG 26 1HG ARG 26 0.557 6.537 -4.438
187 2HG ARG 26 2HG ARG 26 0.083 5.663 -5.907
188 1HD ARG 26 1HD ARG 26 -0.333 8.067 -6.191
189 2HD ARG 26 2HD ARG 26 -1.830 7.155 -6.226
190 HE ARG 26 HE ARG 26 -2.518 8.058 -4.252
191 1HH1 ARG 26 1HH1 ARG 26 0.790 9.207 -4.951
192 2HH1 ARG 26 2HH1 ARG 26 0.689 10.583 -3.909
193 1HH2 ARG 26 1HH2 ARG 26 -2.542 9.743 -2.660
194 2HH2 ARG 26 2HH2 ARG 26 -1.250 10.866 -2.530
195 H CYS 27 H CYS 27 1.799 4.085 -4.755
196 HA CYS 27 HA CYS 27 2.976 4.153 -2.023
197 1HB CYS 27 1HB CYS 27 4.041 3.345 -4.725
198 2HB CYS 27 2HB CYS 27 5.138 3.932 -3.477
199 H ILE 28 H ILE 28 3.741 6.078 -1.279
200 HA ILE 28 HA ILE 28 4.689 8.080 -3.156
201 HB ILE 28 HB ILE 28 2.415 8.764 -2.970
202 1HG1 ILE 28 2HG1 ILE 28 4.057 10.559 -1.150
203 2HG1 ILE 28 1HG1 ILE 28 2.543 10.993 -1.941
204 1HG2 ILE 28 1HG2 ILE 28 2.669 8.630 0.053
205 2HG2 ILE 28 2HG2 ILE 28 1.294 9.324 -0.833
206 3HG2 ILE 28 3HG2 ILE 28 1.666 7.609 -1.004
207 1HD1 ILE 28 1HD1 ILE 28 3.649 10.552 -4.168
208 2HD1 ILE 28 2HD1 ILE 28 4.305 11.922 -3.248
209 3HD1 ILE 28 3HD1 ILE 28 5.190 10.388 -3.304
210 H ASN 29 H ASN 29 6.394 9.189 -2.276
211 HA ASN 29 HA ASN 29 8.320 9.292 -1.093
212 1HB ASN 29 1HB ASN 29 6.266 9.959 1.037
213 2HB ASN 29 2HB ASN 29 8.002 10.021 1.348
214 2HD2 ASN 29 1HD2 ASN 29 5.351 11.786 -0.020
215 1HD2 ASN 29 2HD2 ASN 29 6.329 13.003 -0.863
216 H LYS 30 H LYS 30 8.180 6.901 -1.716
217 HA LYS 30 HA LYS 30 8.670 4.747 -1.353
218 1HB LYS 30 1HB LYS 30 10.679 5.723 -0.771
219 2HB LYS 30 2HB LYS 30 10.164 6.211 0.816
220 1HG LYS 30 1HG LYS 30 10.291 3.247 0.378
221 2HG LYS 30 2HG LYS 30 11.800 4.117 0.250
222 1HD LYS 30 1HD LYS 30 11.472 3.367 2.564
223 2HD LYS 30 2HD LYS 30 11.582 5.113 2.426
224 1HE LYS 30 1HE LYS 30 9.101 5.295 2.567
225 2HE LYS 30 2HE LYS 30 8.986 3.541 2.746
226 1HZ LYS 30 1HZ LYS 30 10.256 3.735 4.784
227 2HZ LYS 30 2HZ LYS 30 10.348 5.364 4.606
228 3HZ LYS 30 3HZ LYS 30 8.890 4.662 4.851
229 H SER 31 H SER 31 6.169 5.952 0.385
230 HA SER 31 HA SER 31 5.873 3.482 2.021
231 1HB SER 31 1HB SER 31 4.850 6.282 2.602
232 2HB SER 31 2HB SER 31 4.842 4.878 3.688
233 HG SER 31 HG SER 31 7.058 6.351 2.691
234 H CYS 32 H CYS 32 3.759 2.588 2.168
235 HA CYS 32 HA CYS 32 2.122 3.110 -0.203
236 1HB CYS 32 1HB CYS 32 1.660 1.013 1.923
237 2HB CYS 32 2HB CYS 32 1.019 1.080 0.290
238 H LYS 33 H LYS 33 0.153 3.914 -0.177
239 HA LYS 33 HA LYS 33 -1.212 4.650 2.358
240 1HB LYS 33 1HB LYS 33 -1.395 5.950 -0.410
241 2HB LYS 33 2HB LYS 33 -2.326 6.414 1.016
242 1HG LYS 33 1HG LYS 33 0.693 6.609 0.700
243 2HG LYS 33 2HG LYS 33 -0.442 7.945 0.565
244 1HD LYS 33 1HD LYS 33 -0.332 8.324 2.766
245 2HD LYS 33 2HD LYS 33 -0.900 6.694 3.126
246 1HE LYS 33 1HE LYS 33 1.481 5.866 2.800
247 2HE LYS 33 2HE LYS 33 1.984 7.557 2.614
248 1HZ LYS 33 1HZ LYS 33 1.043 7.946 4.837
249 2HZ LYS 33 2HZ LYS 33 0.745 6.347 5.011
250 3HZ LYS 33 3HZ LYS 33 2.298 6.916 4.882
251 H CYS 34 H CYS 34 -2.681 3.155 2.689
252 HA CYS 34 HA CYS 34 -3.872 1.615 0.454
253 1HB CYS 34 2HB CYS 34 -4.371 -0.012 2.135
254 2HB CYS 34 1HB CYS 34 -4.064 1.120 3.454
255 H TYR 35 H TYR 35 -5.600 2.864 -0.293
256 HA TYR 35 HA TYR 35 -6.876 4.809 1.541
257 1HB TYR 35 1HB TYR 35 -7.121 4.111 -1.388
258 2HB TYR 35 2HB TYR 35 -8.310 5.123 -0.587
259 HD1 TYR 35 HD1 TYR 35 -4.635 4.903 -1.406
260 HD2 TYR 35 HD2 TYR 35 -7.983 7.434 -0.366
261 HE1 TYR 35 HE1 TYR 35 -3.289 6.907 -1.942
262 HE2 TYR 35 HE2 TYR 35 -6.656 9.425 -0.913
263 HH TYR 35 HH TYR 35 -4.728 10.208 -1.859
264 H GLY 36 H GLY 36 -7.639 1.910 -0.407
265 1HA GLY 36 1HA GLY 36 -9.339 0.389 -0.313
266 2HA GLY 36 2HA GLY 36 -9.500 0.766 1.415
267 H CYS 37 H CYS 37 -11.633 0.787 1.483
268 HA CYS 37 HA CYS 37 -13.135 3.029 0.259
269 1HB CYS 37 1HB CYS 37 -14.952 1.328 -0.231
270 2HB CYS 37 2HB CYS 37 -13.509 1.184 -1.228
271 H THR 38 H THR 38 -12.281 1.153 3.036
272 HA THR 38 HA THR 38 -14.087 2.281 4.866
273 HB THR 38 HB THR 38 -14.425 -0.528 3.735
274 HG1 THR 38 HG1 THR 38 -15.697 1.496 3.271
275 1HG2 THR 38 1HG2 THR 38 -15.331 0.318 6.511
276 2HG2 THR 38 2HG2 THR 38 -15.865 -1.141 5.643
277 3HG2 THR 38 3HG2 THR 38 -14.167 -0.957 6.105
No H/Q in entry = 277
Start of MODEL 12
1 H1 ASP 1 H1 ASP 1 5.448 -1.568 13.388
2 H2 ASP 1 H2 ASP 1 6.801 -2.517 13.477
3 H3 ASP 1 H3 ASP 1 6.583 -1.246 14.513
4 HA ASP 1 HA ASP 1 8.177 -0.562 12.954
5 1HB ASP 1 1HB ASP 1 6.077 -1.545 11.017
6 2HB ASP 1 2HB ASP 1 7.255 -0.304 10.546
7 H GLU 2 H GLU 2 8.184 1.675 12.163
8 HA GLU 2 HA GLU 2 6.122 3.319 13.308
9 1HB GLU 2 1HB GLU 2 8.346 3.998 11.342
10 2HB GLU 2 2HB GLU 2 7.287 5.169 12.120
11 1HG GLU 2 1HG GLU 2 8.112 4.379 14.361
12 2HG GLU 2 2HG GLU 2 9.280 3.344 13.519
13 H ALA 3 H ALA 3 6.934 2.378 9.942
14 HA ALA 3 HA ALA 3 4.161 2.960 9.062
15 1HB ALA 3 2HB ALA 3 5.082 4.051 7.021
16 2HB ALA 3 3HB ALA 3 5.477 4.954 8.485
17 3HB ALA 3 1HB ALA 3 6.706 3.930 7.708
18 H ILE 4 H ILE 4 4.094 2.118 6.590
19 HA ILE 4 HA ILE 4 5.471 -0.510 6.460
20 HB ILE 4 HB ILE 4 3.214 -1.004 6.904
21 1HG1 ILE 4 1HG1 ILE 4 3.757 -1.248 3.922
22 2HG1 ILE 4 2HG1 ILE 4 4.303 -2.335 5.193
23 1HG2 ILE 4 1HG2 ILE 4 2.121 1.142 6.502
24 2HG2 ILE 4 2HG2 ILE 4 2.292 0.919 4.746
25 3HG2 ILE 4 3HG2 ILE 4 1.268 -0.161 5.707
26 1HD1 ILE 4 1HD1 ILE 4 1.866 -2.847 5.685
27 2HD1 ILE 4 2HD1 ILE 4 1.448 -1.910 4.230
28 3HD1 ILE 4 3HD1 ILE 4 2.449 -3.358 4.085
29 H ARG 5 H ARG 5 7.164 -0.131 5.165
30 HA ARG 5 HA ARG 5 6.842 1.666 2.845
31 1HB ARG 5 1HB ARG 5 9.183 0.197 4.045
32 2HB ARG 5 2HB ARG 5 9.237 0.660 2.355
33 1HG ARG 5 1HG ARG 5 8.697 3.025 3.026
34 2HG ARG 5 2HG ARG 5 8.858 2.532 4.714
35 1HD ARG 5 1HD ARG 5 11.106 1.823 2.828
36 2HD ARG 5 2HD ARG 5 10.893 3.519 3.197
37 HE ARG 5 HE ARG 5 11.401 1.333 5.164
38 1HH1 ARG 5 1HH1 ARG 5 11.488 4.820 4.383
39 2HH1 ARG 5 2HH1 ARG 5 12.615 5.201 5.645
40 1HH2 ARG 5 1HH2 ARG 5 12.463 1.937 7.095
41 2HH2 ARG 5 2HH2 ARG 5 12.911 3.582 7.395
42 H CYS 6 H CYS 6 7.544 0.854 0.711
43 HA CYS 6 HA CYS 6 6.988 -1.995 0.149
44 1HB CYS 6 1HB CYS 6 5.814 -1.032 -1.971
45 2HB CYS 6 2HB CYS 6 4.934 -1.205 -0.477
46 H THR 7 H THR 7 8.332 -2.761 -1.554
47 HA THR 7 HA THR 7 10.412 -1.007 -2.447
48 HB THR 7 HB THR 7 10.523 -3.148 -4.165
49 HG1 THR 7 HG1 THR 7 8.983 -4.477 -3.427
50 1HG2 THR 7 1HG2 THR 7 12.273 -2.319 -2.569
51 2HG2 THR 7 2HG2 THR 7 11.408 -3.112 -1.237
52 3HG2 THR 7 3HG2 THR 7 12.114 -4.082 -2.549
53 H GLY 8 H GLY 8 7.168 -1.710 -3.776
54 1HA GLY 8 1HA GLY 8 7.460 0.492 -5.649
55 2HA GLY 8 2HA GLY 8 7.307 -1.113 -6.385
56 H THR 9 H THR 9 5.287 0.629 -6.958
57 HA THR 9 HA THR 9 3.236 0.847 -5.076
58 HB THR 9 HB THR 9 3.472 2.220 -7.064
59 HG1 THR 9 HG1 THR 9 0.892 1.092 -7.077
60 1HG2 THR 9 1HG2 THR 9 3.831 0.459 -8.814
61 2HG2 THR 9 2HG2 THR 9 2.104 0.048 -8.696
62 3HG2 THR 9 3HG2 THR 9 2.598 1.666 -9.208
63 H LYS 10 H LYS 10 3.389 -1.661 -7.692
64 HA LYS 10 HA LYS 10 0.966 -2.878 -6.694
65 1HB LYS 10 1HB LYS 10 1.479 -2.877 -9.067
66 2HB LYS 10 2HB LYS 10 2.969 -3.793 -8.794
67 1HG LYS 10 1HG LYS 10 1.811 -5.767 -8.222
68 2HG LYS 10 2HG LYS 10 0.285 -4.929 -7.948
69 1HD LYS 10 1HD LYS 10 -0.035 -4.508 -10.293
70 2HD LYS 10 2HD LYS 10 1.611 -5.049 -10.674
71 1HE LYS 10 1HE LYS 10 1.072 -7.327 -9.916
72 2HE LYS 10 2HE LYS 10 -0.576 -6.827 -9.498
73 1HZ LYS 10 1HZ LYS 10 0.543 -6.600 -12.220
74 2HZ LYS 10 2HZ LYS 10 -0.322 -7.902 -11.710
75 3HZ LYS 10 3HZ LYS 10 -1.033 -6.414 -11.782
76 H ASP 11 H ASP 11 4.306 -3.190 -6.013
77 HA ASP 11 HA ASP 11 4.524 -5.682 -4.786
78 1HB ASP 11 1HB ASP 11 6.144 -3.559 -5.148
79 2HB ASP 11 2HB ASP 11 5.717 -3.247 -3.465
80 H CYS 12 H CYS 12 3.285 -2.576 -3.394
81 HA CYS 12 HA CYS 12 2.561 -3.951 -0.917
82 1HB CYS 12 1HB CYS 12 3.144 -1.350 -1.423
83 2HB CYS 12 2HB CYS 12 1.390 -1.276 -1.343
84 H TYR 13 H TYR 13 1.030 -4.005 -3.949
85 HA TYR 13 HA TYR 13 -1.691 -3.772 -2.953
86 1HB TYR 13 1HB TYR 13 -0.783 -5.124 -5.484
87 2HB TYR 13 2HB TYR 13 -2.432 -4.783 -5.022
88 HD1 TYR 13 HD1 TYR 13 -0.999 -1.811 -3.968
89 HD2 TYR 13 HD2 TYR 13 -1.746 -4.029 -7.599
90 HE1 TYR 13 HE1 TYR 13 -0.731 0.247 -5.274
91 HE2 TYR 13 HE2 TYR 13 -1.441 -1.954 -8.922
92 HH TYR 13 HH TYR 13 -1.618 0.893 -8.061
93 H ILE 14 H ILE 14 0.718 -6.043 -2.224
94 HA ILE 14 HA ILE 14 -1.249 -8.214 -1.867
95 HB ILE 14 HB ILE 14 1.708 -8.179 -1.164
96 1HG1 ILE 14 2HG1 ILE 14 0.083 -9.274 -3.449
97 2HG1 ILE 14 1HG1 ILE 14 1.442 -10.220 -2.850
98 1HG2 ILE 14 1HG2 ILE 14 -0.418 -10.348 -0.846
99 2HG2 ILE 14 2HG2 ILE 14 1.322 -10.554 -0.587
100 3HG2 ILE 14 3HG2 ILE 14 0.403 -9.502 0.484
101 1HD1 ILE 14 1HD1 ILE 14 2.976 -8.335 -3.223
102 2HD1 ILE 14 2HD1 ILE 14 2.152 -8.860 -4.701
103 3HD1 ILE 14 3HD1 ILE 14 1.633 -7.376 -3.887
104 HA PRO 15 HA PRO 15 -0.814 -7.152 2.684
105 1HB PRO 15 1HB PRO 15 0.752 -5.111 3.664
106 2HB PRO 15 2HB PRO 15 1.307 -6.793 3.432
107 1HG PRO 15 1HG PRO 15 1.620 -4.456 1.528
108 2HG PRO 15 2HG PRO 15 2.891 -5.589 2.069
109 1HD PRO 15 1HD PRO 15 1.675 -5.969 -0.288
110 2HD PRO 15 2HD PRO 15 1.969 -7.359 0.801
111 H CYS 16 H CYS 16 -0.315 -3.877 1.109
112 HA CYS 16 HA CYS 16 -2.115 -2.572 2.842
113 1HB CYS 16 1HB CYS 16 -0.570 -1.852 0.544
114 2HB CYS 16 2HB CYS 16 -2.225 -1.412 0.175
115 H ARG 17 H ARG 17 -2.674 -4.070 -0.362
116 HA ARG 17 HA ARG 17 -5.491 -3.423 -0.341
117 1HB ARG 17 1HB ARG 17 -3.941 -3.999 -2.361
118 2HB ARG 17 2HB ARG 17 -4.347 -5.671 -1.947
119 1HG ARG 17 1HG ARG 17 -6.767 -4.045 -2.073
120 2HG ARG 17 2HG ARG 17 -5.775 -3.864 -3.522
121 1HD ARG 17 2HD ARG 17 -5.702 -6.353 -3.749
122 2HD ARG 17 1HD ARG 17 -7.306 -5.623 -3.962
123 HE ARG 17 HE ARG 17 -7.305 -6.252 -1.318
124 1HH1 ARG 17 1HH1 ARG 17 -6.808 -8.066 -4.333
125 2HH1 ARG 17 2HH1 ARG 17 -7.367 -9.577 -3.712
126 1HH2 ARG 17 1HH2 ARG 17 -8.318 -8.200 -0.524
127 2HH2 ARG 17 2HH2 ARG 17 -8.362 -9.606 -1.487
128 H TYR 18 H TYR 18 -3.600 -6.272 0.878
129 HA TYR 18 HA TYR 18 -5.957 -7.865 1.304
130 1HB TYR 18 1HB TYR 18 -3.698 -8.821 1.276
131 2HB TYR 18 2HB TYR 18 -3.269 -7.903 2.716
132 HD1 TYR 18 HD1 TYR 18 -4.260 -8.499 4.936
133 HD2 TYR 18 HD2 TYR 18 -5.124 -10.813 1.383
134 HE1 TYR 18 HE1 TYR 18 -5.199 -10.284 6.328
135 HE2 TYR 18 HE2 TYR 18 -6.064 -12.615 2.791
136 HH TYR 18 HH TYR 18 -6.285 -13.417 5.058
137 H ILE 19 H ILE 19 -4.168 -5.499 3.389
138 HA ILE 19 HA ILE 19 -5.905 -5.864 5.640
139 HB ILE 19 HB ILE 19 -3.808 -3.800 4.891
140 1HG1 ILE 19 1HG1 ILE 19 -2.978 -4.594 7.236
141 2HG1 ILE 19 2HG1 ILE 19 -4.177 -5.871 7.116
142 1HG2 ILE 19 1HG2 ILE 19 -5.626 -3.619 7.334
143 2HG2 ILE 19 2HG2 ILE 19 -4.143 -2.674 7.074
144 3HG2 ILE 19 3HG2 ILE 19 -5.520 -2.434 6.012
145 1HD1 ILE 19 1HD1 ILE 19 -2.982 -6.670 5.026
146 2HD1 ILE 19 2HD1 ILE 19 -1.771 -5.393 5.310
147 3HD1 ILE 19 3HD1 ILE 19 -1.990 -6.703 6.480
148 H THR 20 H THR 20 -5.826 -3.174 3.183
149 HA THR 20 HA THR 20 -8.214 -2.076 4.302
150 HB THR 20 HB THR 20 -6.190 -1.076 2.930
151 HG1 THR 20 HG1 THR 20 -7.890 0.102 3.932
152 1HG2 THR 20 1HG2 THR 20 -6.814 -2.208 0.760
153 2HG2 THR 20 2HG2 THR 20 -8.283 -1.205 0.729
154 3HG2 THR 20 3HG2 THR 20 -6.695 -0.439 0.659
155 H GLY 21 H GLY 21 -7.670 -4.530 1.868
156 1HA GLY 21 1HA GLY 21 -9.122 -6.014 0.970
157 2HA GLY 21 2HA GLY 21 -10.511 -5.100 1.556
158 H CYS 22 H CYS 22 -10.354 -2.678 0.521
159 HA CYS 22 HA CYS 22 -11.145 -3.021 -2.184
160 1HB CYS 22 2HB CYS 22 -11.446 -0.614 -2.160
161 2HB CYS 22 1HB CYS 22 -10.382 -0.442 -0.760
162 H PHE 23 H PHE 23 -10.146 -2.454 -4.169
163 HA PHE 23 HA PHE 23 -7.227 -2.521 -4.084
164 1HB PHE 23 1HB PHE 23 -8.535 -3.935 -5.647
165 2HB PHE 23 2HB PHE 23 -9.073 -2.483 -6.479
166 HD1 PHE 23 HD1 PHE 23 -6.113 -4.613 -5.673
167 HD2 PHE 23 HD2 PHE 23 -7.604 -1.379 -8.096
168 HE1 PHE 23 HE1 PHE 23 -4.039 -4.662 -7.000
169 HE2 PHE 23 HE2 PHE 23 -5.529 -1.425 -9.431
170 HZ PHE 23 HZ PHE 23 -3.738 -3.056 -8.901
171 H ASN 24 H ASN 24 -7.221 -0.404 -2.901
172 HA ASN 24 HA ASN 24 -6.418 1.529 -4.932
173 1HB ASN 24 1HB ASN 24 -8.788 2.169 -4.513
174 2HB ASN 24 2HB ASN 24 -8.366 2.515 -2.829
175 2HD2 ASN 24 1HD2 ASN 24 -6.711 4.207 -2.475
176 1HD2 ASN 24 2HD2 ASN 24 -6.741 5.563 -3.552
177 H SER 25 H SER 25 -4.425 1.147 -4.329
178 HA SER 25 HA SER 25 -3.525 2.162 -1.702
179 1HB SER 25 1HB SER 25 -2.113 -0.057 -3.182
180 2HB SER 25 2HB SER 25 -1.951 0.410 -1.486
181 HG SER 25 HG SER 25 -4.031 -1.009 -2.797
182 H ARG 26 H ARG 26 -1.477 3.202 -1.784
183 HA ARG 26 HA ARG 26 -0.253 3.670 -4.430
184 1HB ARG 26 1HB ARG 26 -0.993 5.836 -2.387
185 2HB ARG 26 2HB ARG 26 0.210 6.055 -3.657
186 1HG ARG 26 1HG ARG 26 -1.554 5.454 -5.357
187 2HG ARG 26 2HG ARG 26 -2.761 5.527 -4.068
188 1HD ARG 26 1HD ARG 26 -2.385 7.860 -3.727
189 2HD ARG 26 2HD ARG 26 -0.853 7.839 -4.596
190 HE ARG 26 HE ARG 26 -3.548 7.981 -5.710
191 1HH1 ARG 26 1HH1 ARG 26 -0.116 7.302 -6.521
192 2HH1 ARG 26 2HH1 ARG 26 -0.314 7.782 -8.176
193 1HH2 ARG 26 1HH2 ARG 26 -3.728 8.591 -7.991
194 2HH2 ARG 26 2HH2 ARG 26 -2.254 8.768 -8.877
195 H CYS 27 H CYS 27 1.973 4.465 -4.143
196 HA CYS 27 HA CYS 27 3.243 3.804 -1.567
197 1HB CYS 27 1HB CYS 27 3.933 2.745 -4.302
198 2HB CYS 27 2HB CYS 27 5.194 3.040 -3.117
199 H ILE 28 H ILE 28 4.097 5.744 -0.919
200 HA ILE 28 HA ILE 28 5.238 7.590 -2.920
201 HB ILE 28 HB ILE 28 2.998 8.351 -2.828
202 1HG1 ILE 28 2HG1 ILE 28 4.571 10.022 -0.829
203 2HG1 ILE 28 1HG1 ILE 28 3.058 10.518 -1.576
204 1HG2 ILE 28 1HG2 ILE 28 2.110 7.082 -0.922
205 2HG2 ILE 28 2HG2 ILE 28 3.019 8.112 0.206
206 3HG2 ILE 28 3HG2 ILE 28 1.713 8.784 -0.791
207 1HD1 ILE 28 1HD1 ILE 28 4.085 10.427 -3.804
208 2HD1 ILE 28 2HD1 ILE 28 4.947 11.534 -2.720
209 3HD1 ILE 28 3HD1 ILE 28 5.637 9.943 -3.075
210 H ASN 29 H ASN 29 7.068 8.602 -2.065
211 HA ASN 29 HA ASN 29 8.914 8.706 -0.718
212 1HB ASN 29 1HB ASN 29 6.782 9.116 1.412
213 2HB ASN 29 2HB ASN 29 8.508 9.220 1.732
214 2HD2 ASN 29 1HD2 ASN 29 5.820 11.082 0.798
215 1HD2 ASN 29 2HD2 ASN 29 6.730 12.485 0.344
216 H LYS 30 H LYS 30 8.366 6.268 -1.559
217 HA LYS 30 HA LYS 30 8.420 4.056 -1.356
218 1HB LYS 30 1HB LYS 30 10.707 4.834 -0.611
219 2HB LYS 30 2HB LYS 30 10.220 4.484 1.050
220 1HG LYS 30 1HG LYS 30 9.935 2.124 0.517
221 2HG LYS 30 2HG LYS 30 10.101 2.452 -1.217
222 1HD LYS 30 1HD LYS 30 12.443 3.016 -0.937
223 2HD LYS 30 2HD LYS 30 12.321 2.834 0.833
224 1HE LYS 30 1HE LYS 30 11.655 0.459 0.539
225 2HE LYS 30 2HE LYS 30 11.736 0.645 -1.222
226 1HZ LYS 30 1HZ LYS 30 14.042 0.919 0.609
227 2HZ LYS 30 2HZ LYS 30 13.705 -0.404 -0.276
228 3HZ LYS 30 3HZ LYS 30 14.095 1.003 -1.039
229 H SER 31 H SER 31 6.520 5.653 0.809
230 HA SER 31 HA SER 31 5.983 3.435 2.642
231 1HB SER 31 1HB SER 31 6.388 5.981 3.151
232 2HB SER 31 2HB SER 31 4.703 6.171 2.642
233 HG SER 31 HG SER 31 5.419 5.690 4.953
234 H CYS 32 H CYS 32 4.080 2.249 2.511
235 HA CYS 32 HA CYS 32 2.370 2.593 0.184
236 1HB CYS 32 2HB CYS 32 1.178 0.728 0.902
237 2HB CYS 32 1HB CYS 32 1.654 0.909 2.583
238 H LYS 33 H LYS 33 0.238 3.306 0.248
239 HA LYS 33 HA LYS 33 -0.979 4.226 2.792
240 1HB LYS 33 1HB LYS 33 -0.743 5.819 0.190
241 2HB LYS 33 2HB LYS 33 -1.926 6.192 1.438
242 1HG LYS 33 1HG LYS 33 1.092 6.205 1.893
243 2HG LYS 33 2HG LYS 33 0.148 7.610 1.448
244 1HD LYS 33 1HD LYS 33 -0.359 8.028 3.565
245 2HD LYS 33 2HD LYS 33 -1.181 6.474 3.726
246 1HE LYS 33 1HE LYS 33 0.904 5.376 4.368
247 2HE LYS 33 2HE LYS 33 1.832 6.851 4.049
248 1HZ LYS 33 1HZ LYS 33 -0.253 6.580 6.121
249 2HZ LYS 33 2HZ LYS 33 1.360 6.531 6.404
250 3HZ LYS 33 3HZ LYS 33 0.695 7.916 5.867
251 H CYS 34 H CYS 34 -2.771 2.840 2.886
252 HA CYS 34 HA CYS 34 -3.974 1.977 0.296
253 1HB CYS 34 1HB CYS 34 -5.178 0.810 2.621
254 2HB CYS 34 2HB CYS 34 -4.467 0.034 1.221
255 H TYR 35 H TYR 35 -6.310 2.234 0.078
256 HA TYR 35 HA TYR 35 -7.455 4.314 1.878
257 1HB TYR 35 1HB TYR 35 -7.679 4.183 -1.113
258 2HB TYR 35 2HB TYR 35 -8.430 5.343 -0.064
259 HD1 TYR 35 HD1 TYR 35 -4.943 4.149 -1.023
260 HD2 TYR 35 HD2 TYR 35 -7.445 7.442 0.242
261 HE1 TYR 35 HE1 TYR 35 -3.075 5.686 -1.368
262 HE2 TYR 35 HE2 TYR 35 -5.583 8.996 -0.171
263 HH TYR 35 HH TYR 35 -3.566 9.152 -1.380
264 H GLY 36 H GLY 36 -8.845 3.050 2.989
265 1HA GLY 36 1HA GLY 36 -10.303 0.850 2.073
266 2HA GLY 36 2HA GLY 36 -10.791 1.926 3.397
267 H CYS 37 H CYS 37 -12.589 0.676 1.755
268 HA CYS 37 HA CYS 37 -14.069 2.929 0.658
269 1HB CYS 37 1HB CYS 37 -14.685 1.866 -1.331
270 2HB CYS 37 2HB CYS 37 -12.944 1.703 -1.279
271 H THR 38 H THR 38 -16.383 2.408 0.804
272 HA THR 38 HA THR 38 -18.004 2.073 2.320
273 HB THR 38 HB THR 38 -18.260 0.347 0.614
274 HG1 THR 38 HG1 THR 38 -19.278 0.207 3.146
275 1HG2 THR 38 1HG2 THR 38 -16.936 -1.574 2.547
276 2HG2 THR 38 2HG2 THR 38 -17.992 -2.072 1.224
277 3HG2 THR 38 3HG2 THR 38 -16.486 -1.213 0.874
No H/Q in entry = 277
Start of MODEL 13
1 H1 ASP 1 H1 ASP 1 11.051 -1.754 14.426
2 H2 ASP 1 H2 ASP 1 10.522 -3.152 13.768
3 H3 ASP 1 H3 ASP 1 12.044 -2.598 13.425
4 HA ASP 1 HA ASP 1 11.160 -0.733 12.247
5 1HB ASP 1 1HB ASP 1 9.871 -3.337 11.354
6 2HB ASP 1 2HB ASP 1 9.861 -1.848 10.429
7 H GLU 2 H GLU 2 9.524 0.687 11.907
8 HA GLU 2 HA GLU 2 6.814 0.212 12.903
9 1HB GLU 2 1HB GLU 2 8.815 1.245 14.651
10 2HB GLU 2 2HB GLU 2 7.815 2.622 14.245
11 1HG GLU 2 1HG GLU 2 6.740 -0.062 15.232
12 2HG GLU 2 2HG GLU 2 7.111 1.304 16.273
13 H ALA 3 H ALA 3 7.573 0.454 10.406
14 HA ALA 3 HA ALA 3 6.218 2.827 9.500
15 1HB ALA 3 1HB ALA 3 8.616 3.627 9.646
16 2HB ALA 3 2HB ALA 3 9.079 2.325 8.532
17 3HB ALA 3 3HB ALA 3 7.982 3.623 7.997
18 H ILE 4 H ILE 4 6.392 2.591 6.856
19 HA ILE 4 HA ILE 4 6.487 -0.229 6.053
20 HB ILE 4 HB ILE 4 4.178 1.657 5.348
21 1HG1 ILE 4 1HG1 ILE 4 2.852 -0.415 6.353
22 2HG1 ILE 4 2HG1 ILE 4 4.322 -0.700 7.259
23 1HG2 ILE 4 1HG2 ILE 4 4.756 -1.224 4.523
24 2HG2 ILE 4 2HG2 ILE 4 3.281 -0.318 4.136
25 3HG2 ILE 4 3HG2 ILE 4 4.818 0.207 3.467
26 1HD1 ILE 4 1HD1 ILE 4 2.700 1.895 7.275
27 2HD1 ILE 4 2HD1 ILE 4 2.545 0.600 8.467
28 3HD1 ILE 4 3HD1 ILE 4 4.047 1.517 8.364
29 H ARG 5 H ARG 5 7.402 -0.352 3.947
30 HA ARG 5 HA ARG 5 7.697 2.043 2.364
31 1HB ARG 5 1HB ARG 5 9.889 1.168 4.020
32 2HB ARG 5 2HB ARG 5 10.280 0.667 2.385
33 1HG ARG 5 2HG ARG 5 10.016 2.996 1.587
34 2HG ARG 5 1HG ARG 5 11.222 2.856 2.874
35 1HD ARG 5 1HD ARG 5 8.381 3.915 3.113
36 2HD ARG 5 2HD ARG 5 9.403 3.533 4.512
37 HE ARG 5 HE ARG 5 10.843 5.286 2.832
38 1HH1 ARG 5 1HH1 ARG 5 8.007 5.266 4.954
39 2HH1 ARG 5 2HH1 ARG 5 8.143 6.947 5.403
40 1HH2 ARG 5 1HH2 ARG 5 10.918 7.563 3.270
41 2HH2 ARG 5 2HH2 ARG 5 9.800 8.303 4.336
42 H CYS 6 H CYS 6 7.845 1.445 0.096
43 HA CYS 6 HA CYS 6 7.529 -1.492 -0.395
44 1HB CYS 6 1HB CYS 6 6.442 -0.784 -2.508
45 2HB CYS 6 2HB CYS 6 5.563 -0.459 -1.046
46 H THR 7 H THR 7 8.715 -2.490 -1.984
47 HA THR 7 HA THR 7 11.231 -1.111 -2.719
48 HB THR 7 HB THR 7 11.306 -3.281 -1.555
49 HG1 THR 7 HG1 THR 7 13.026 -2.768 -2.941
50 1HG2 THR 7 1HG2 THR 7 9.958 -4.422 -4.039
51 2HG2 THR 7 2HG2 THR 7 10.819 -5.394 -2.843
52 3HG2 THR 7 3HG2 THR 7 9.399 -4.498 -2.350
53 H GLY 8 H GLY 8 8.194 -1.926 -4.070
54 1HA GLY 8 1HA GLY 8 9.039 -0.998 -6.736
55 2HA GLY 8 2HA GLY 8 8.074 -2.481 -6.626
56 H THR 9 H THR 9 6.636 -0.751 -7.939
57 HA THR 9 HA THR 9 5.051 0.889 -6.048
58 HB THR 9 HB THR 9 5.029 0.821 -9.071
59 HG1 THR 9 HG1 THR 9 6.944 1.627 -8.180
60 1HG2 THR 9 1HG2 THR 9 3.689 2.650 -7.037
61 2HG2 THR 9 2HG2 THR 9 3.815 2.978 -8.776
62 3HG2 THR 9 3HG2 THR 9 2.874 1.586 -8.211
63 H LYS 10 H LYS 10 4.449 -1.658 -8.582
64 HA LYS 10 HA LYS 10 1.801 -2.166 -7.499
65 1HB LYS 10 1HB LYS 10 1.573 -3.846 -9.083
66 2HB LYS 10 2HB LYS 10 2.623 -2.684 -9.864
67 1HG LYS 10 2HG LYS 10 4.518 -4.303 -8.809
68 2HG LYS 10 1HG LYS 10 3.783 -4.551 -10.395
69 1HD LYS 10 1HD LYS 10 2.623 -5.891 -7.931
70 2HD LYS 10 2HD LYS 10 2.303 -6.227 -9.634
71 1HE LYS 10 1HE LYS 10 4.740 -6.911 -9.863
72 2HE LYS 10 2HE LYS 10 4.905 -6.701 -8.110
73 1HZ LYS 10 1HZ LYS 10 3.129 -8.369 -7.858
74 2HZ LYS 10 2HZ LYS 10 3.119 -8.596 -9.496
75 3HZ LYS 10 3HZ LYS 10 4.455 -8.980 -8.618
76 H ASP 11 H ASP 11 4.943 -3.051 -6.524
77 HA ASP 11 HA ASP 11 4.999 -5.340 -5.175
78 1HB ASP 11 1HB ASP 11 6.723 -3.623 -5.261
79 2HB ASP 11 2HB ASP 11 5.790 -2.582 -4.175
80 H CYS 12 H CYS 12 3.611 -2.396 -3.608
81 HA CYS 12 HA CYS 12 2.734 -3.939 -1.351
82 1HB CYS 12 1HB CYS 12 3.037 -1.160 -2.008
83 2HB CYS 12 2HB CYS 12 1.425 -1.402 -1.336
84 H TYR 13 H TYR 13 1.333 -4.279 -4.281
85 HA TYR 13 HA TYR 13 -1.442 -3.770 -3.798
86 1HB TYR 13 1HB TYR 13 0.024 -5.711 -5.626
87 2HB TYR 13 2HB TYR 13 -1.715 -5.572 -5.581
88 HD1 TYR 13 HD1 TYR 13 -0.535 -2.238 -5.134
89 HD2 TYR 13 HD2 TYR 13 -0.969 -5.337 -8.090
90 HE1 TYR 13 HE1 TYR 13 -0.729 -0.520 -6.893
91 HE2 TYR 13 HE2 TYR 13 -1.154 -3.645 -9.860
92 HH TYR 13 HH TYR 13 -1.637 -1.380 -10.201
93 H ILE 14 H ILE 14 0.629 -6.491 -2.802
94 HA ILE 14 HA ILE 14 -1.615 -8.159 -2.025
95 HB ILE 14 HB ILE 14 1.342 -8.248 -1.370
96 1HG1 ILE 14 1HG1 ILE 14 0.629 -8.963 -3.632
97 2HG1 ILE 14 2HG1 ILE 14 1.436 -10.200 -2.688
98 1HG2 ILE 14 1HG2 ILE 14 -0.836 -10.063 -0.254
99 2HG2 ILE 14 2HG2 ILE 14 0.892 -10.474 -0.283
100 3HG2 ILE 14 3HG2 ILE 14 0.334 -9.092 0.656
101 1HD1 ILE 14 1HD1 ILE 14 -1.583 -10.057 -3.119
102 2HD1 ILE 14 2HD1 ILE 14 -0.452 -11.119 -3.968
103 3HD1 ILE 14 3HD1 ILE 14 -0.708 -11.333 -2.239
104 HA PRO 15 HA PRO 15 -0.966 -6.662 2.380
105 1HB PRO 15 1HB PRO 15 0.489 -4.385 2.988
106 2HB PRO 15 2HB PRO 15 1.127 -6.059 3.017
107 1HG PRO 15 1HG PRO 15 1.286 -4.044 0.769
108 2HG PRO 15 2HG PRO 15 2.612 -5.042 1.443
109 1HD PRO 15 1HD PRO 15 1.377 -5.836 -0.797
110 2HD PRO 15 2HD PRO 15 1.702 -7.029 0.491
111 H CYS 16 H CYS 16 -0.996 -3.802 0.060
112 HA CYS 16 HA CYS 16 -2.833 -2.436 1.746
113 1HB CYS 16 1HB CYS 16 -2.183 -2.182 -1.199
114 2HB CYS 16 2HB CYS 16 -3.522 -1.285 -0.494
115 H ARG 17 H ARG 17 -3.558 -4.687 -0.978
116 HA ARG 17 HA ARG 17 -6.415 -4.343 -0.565
117 1HB ARG 17 1HB ARG 17 -5.426 -5.127 -2.695
118 2HB ARG 17 2HB ARG 17 -4.883 -6.617 -1.920
119 1HG ARG 17 1HG ARG 17 -7.808 -5.820 -1.827
120 2HG ARG 17 2HG ARG 17 -7.147 -6.524 -3.297
121 1HD ARG 17 1HD ARG 17 -6.504 -8.524 -2.237
122 2HD ARG 17 2HD ARG 17 -6.778 -7.937 -0.629
123 HE ARG 17 HE ARG 17 -8.813 -8.703 -2.631
124 1HH1 ARG 17 1HH1 ARG 17 -8.232 -7.653 0.721
125 2HH1 ARG 17 2HH1 ARG 17 -9.576 -8.556 1.367
126 1HH2 ARG 17 1HH2 ARG 17 -10.827 -9.434 -1.800
127 2HH2 ARG 17 2HH2 ARG 17 -11.051 -9.601 -0.085
128 H TYR 18 H TYR 18 -3.889 -6.491 0.837
129 HA TYR 18 HA TYR 18 -5.774 -8.204 2.114
130 1HB TYR 18 1HB TYR 18 -3.260 -8.563 1.691
131 2HB TYR 18 2HB TYR 18 -2.989 -7.616 3.157
132 HD1 TYR 18 HD1 TYR 18 -4.657 -10.622 1.707
133 HD2 TYR 18 HD2 TYR 18 -3.350 -8.672 5.338
134 HE1 TYR 18 HE1 TYR 18 -5.225 -12.642 2.993
135 HE2 TYR 18 HE2 TYR 18 -3.921 -10.688 6.627
136 HH TYR 18 HH TYR 18 -5.326 -13.617 5.052
137 H ILE 19 H ILE 19 -4.304 -5.138 3.143
138 HA ILE 19 HA ILE 19 -5.371 -5.274 5.842
139 HB ILE 19 HB ILE 19 -3.639 -3.386 4.242
140 1HG1 ILE 19 1HG1 ILE 19 -2.107 -3.615 6.112
141 2HG1 ILE 19 2HG1 ILE 19 -3.328 -4.415 7.089
142 1HG2 ILE 19 1HG2 ILE 19 -4.961 -2.591 6.865
143 2HG2 ILE 19 2HG2 ILE 19 -3.562 -1.788 6.124
144 3HG2 ILE 19 3HG2 ILE 19 -5.106 -1.762 5.299
145 1HD1 ILE 19 1HD1 ILE 19 -3.170 -6.408 5.586
146 2HD1 ILE 19 2HD1 ILE 19 -1.837 -5.590 4.724
147 3HD1 ILE 19 3HD1 ILE 19 -1.674 -6.005 6.430
148 H THR 20 H THR 20 -6.032 -3.070 2.998
149 HA THR 20 HA THR 20 -8.335 -2.080 4.518
150 HB THR 20 HB THR 20 -6.444 -0.801 3.168
151 HG1 THR 20 HG1 THR 20 -9.122 0.061 3.464
152 1HG2 THR 20 1HG2 THR 20 -7.121 -1.567 0.906
153 2HG2 THR 20 2HG2 THR 20 -8.682 -0.747 1.117
154 3HG2 THR 20 3HG2 THR 20 -7.181 0.191 1.117
155 H GLY 21 H GLY 21 -8.020 -4.727 2.512
156 1HA GLY 21 1HA GLY 21 -9.747 -6.122 1.908
157 2HA GLY 21 2HA GLY 21 -10.918 -4.843 2.231
158 H CYS 22 H CYS 22 -10.425 -2.831 0.616
159 HA CYS 22 HA CYS 22 -10.889 -3.887 -2.073
160 1HB CYS 22 1HB CYS 22 -10.674 -1.052 -1.004
161 2HB CYS 22 2HB CYS 22 -11.115 -1.470 -2.661
162 H PHE 23 H PHE 23 -9.732 -3.294 -3.932
163 HA PHE 23 HA PHE 23 -6.819 -3.177 -3.609
164 1HB PHE 23 1HB PHE 23 -7.766 -4.765 -5.160
165 2HB PHE 23 2HB PHE 23 -8.685 -3.501 -5.978
166 HD1 PHE 23 HD1 PHE 23 -5.197 -4.696 -5.281
167 HD2 PHE 23 HD2 PHE 23 -7.766 -2.338 -7.831
168 HE1 PHE 23 HE1 PHE 23 -3.347 -4.370 -6.858
169 HE2 PHE 23 HE2 PHE 23 -5.886 -1.985 -9.390
170 HZ PHE 23 HZ PHE 23 -3.664 -2.997 -8.928
171 H ASN 24 H ASN 24 -6.500 -1.000 -2.799
172 HA ASN 24 HA ASN 24 -6.216 0.842 -5.029
173 1HB ASN 24 1HB ASN 24 -8.506 1.423 -4.153
174 2HB ASN 24 2HB ASN 24 -7.733 1.877 -2.631
175 2HD2 ASN 24 1HD2 ASN 24 -8.888 3.983 -3.457
176 1HD2 ASN 24 2HD2 ASN 24 -7.915 5.065 -4.449
177 H SER 25 H SER 25 -4.115 0.404 -4.742
178 HA SER 25 HA SER 25 -2.780 1.030 -2.170
179 1HB SER 25 2HB SER 25 -1.254 -0.634 -2.728
180 2HB SER 25 1HB SER 25 -1.450 -0.374 -4.463
181 HG SER 25 HG SER 25 -3.336 -1.478 -4.466
182 H ARG 26 H ARG 26 -1.553 2.917 -2.140
183 HA ARG 26 HA ARG 26 -0.380 3.817 -4.727
184 1HB ARG 26 1HB ARG 26 -2.440 5.083 -4.052
185 2HB ARG 26 2HB ARG 26 -1.559 5.667 -2.632
186 1HG ARG 26 1HG ARG 26 0.086 6.791 -4.013
187 2HG ARG 26 2HG ARG 26 -0.500 5.994 -5.483
188 1HD ARG 26 1HD ARG 26 -2.076 7.993 -3.825
189 2HD ARG 26 2HD ARG 26 -1.236 8.343 -5.338
190 HE ARG 26 HE ARG 26 -2.724 6.601 -6.408
191 1HH1 ARG 26 1HH1 ARG 26 -3.915 8.714 -3.831
192 2HH1 ARG 26 2HH1 ARG 26 -5.573 8.260 -4.036
193 1HH2 ARG 26 1HH2 ARG 26 -4.849 6.020 -6.704
194 2HH2 ARG 26 2HH2 ARG 26 -6.138 6.644 -5.710
195 H CYS 27 H CYS 27 1.801 3.684 -4.545
196 HA CYS 27 HA CYS 27 3.038 3.791 -1.865
197 1HB CYS 27 1HB CYS 27 4.138 3.446 -4.671
198 2HB CYS 27 2HB CYS 27 5.171 3.883 -3.322
199 H ILE 28 H ILE 28 3.560 5.759 -0.980
200 HA ILE 28 HA ILE 28 4.030 8.089 -2.673
201 HB ILE 28 HB ILE 28 1.636 8.206 -2.296
202 1HG1 ILE 28 2HG1 ILE 28 3.053 10.116 -0.412
203 2HG1 ILE 28 1HG1 ILE 28 1.417 10.312 -1.041
204 1HG2 ILE 28 1HG2 ILE 28 1.443 6.731 -0.298
205 2HG2 ILE 28 2HG2 ILE 28 2.125 8.031 0.702
206 3HG2 ILE 28 3HG2 ILE 28 0.576 8.267 -0.132
207 1HD1 ILE 28 1HD1 ILE 28 2.318 10.380 -3.355
208 2HD1 ILE 28 2HD1 ILE 28 2.900 11.704 -2.330
209 3HD1 ILE 28 3HD1 ILE 28 3.960 10.325 -2.685
210 H ASN 29 H ASN 29 5.683 9.297 -1.746
211 HA ASN 29 HA ASN 29 7.603 9.485 -0.582
212 1HB ASN 29 1HB ASN 29 6.060 10.589 1.008
213 2HB ASN 29 2HB ASN 29 5.876 9.049 1.867
214 2HD2 ASN 29 1HD2 ASN 29 6.861 9.767 3.812
215 1HD2 ASN 29 2HD2 ASN 29 8.577 10.206 3.882
216 H LYS 30 H LYS 30 7.022 6.929 -1.646
217 HA LYS 30 HA LYS 30 7.589 4.796 -1.708
218 1HB LYS 30 1HB LYS 30 9.850 5.951 -1.189
219 2HB LYS 30 2HB LYS 30 9.691 5.229 0.417
220 1HG LYS 30 1HG LYS 30 9.563 2.959 -0.674
221 2HG LYS 30 2HG LYS 30 9.709 3.736 -2.260
222 1HD LYS 30 1HD LYS 30 11.913 4.623 -1.634
223 2HD LYS 30 2HD LYS 30 11.754 3.938 -0.001
224 1HE LYS 30 1HE LYS 30 11.689 1.654 -0.923
225 2HE LYS 30 2HE LYS 30 11.732 2.300 -2.571
226 1HZ LYS 30 1HZ LYS 30 13.885 3.269 -2.071
227 2HZ LYS 30 2HZ LYS 30 13.880 2.579 -0.559
228 3HZ LYS 30 3HZ LYS 30 13.927 1.635 -1.885
229 H SER 31 H SER 31 5.862 5.901 0.871
230 HA SER 31 HA SER 31 5.800 3.264 2.245
231 1HB SER 31 1HB SER 31 6.011 5.290 3.695
232 2HB SER 31 2HB SER 31 4.468 5.884 3.035
233 HG SER 31 HG SER 31 4.146 4.632 4.991
234 H CYS 32 H CYS 32 3.632 2.424 2.610
235 HA CYS 32 HA CYS 32 2.136 2.530 0.056
236 1HB CYS 32 2HB CYS 32 1.243 0.397 0.702
237 2HB CYS 32 1HB CYS 32 1.942 0.514 2.321
238 H LYS 33 H LYS 33 0.467 3.970 0.016
239 HA LYS 33 HA LYS 33 -1.204 4.260 2.476
240 1HB LYS 33 1HB LYS 33 -0.750 6.012 0.051
241 2HB LYS 33 2HB LYS 33 -2.341 5.997 0.789
242 1HG LYS 33 1HG LYS 33 0.177 6.514 2.400
243 2HG LYS 33 2HG LYS 33 -0.754 7.804 1.637
244 1HD LYS 33 1HD LYS 33 -1.951 5.889 3.688
245 2HD LYS 33 2HD LYS 33 -1.252 7.470 4.055
246 1HE LYS 33 1HE LYS 33 -2.870 8.562 2.525
247 2HE LYS 33 2HE LYS 33 -3.609 6.991 2.170
248 1HZ LYS 33 1HZ LYS 33 -3.503 8.218 4.856
249 2HZ LYS 33 2HZ LYS 33 -4.804 8.236 3.841
250 3HZ LYS 33 3HZ LYS 33 -4.293 6.801 4.407
251 H CYS 34 H CYS 34 -2.715 2.850 2.541
252 HA CYS 34 HA CYS 34 -3.728 1.511 0.096
253 1HB CYS 34 2HB CYS 34 -4.400 -0.211 1.642
254 2HB CYS 34 1HB CYS 34 -4.116 0.827 3.037
255 H TYR 35 H TYR 35 -5.299 2.832 -0.680
256 HA TYR 35 HA TYR 35 -6.619 4.813 1.028
257 1HB TYR 35 1HB TYR 35 -6.413 4.214 -1.910
258 2HB TYR 35 2HB TYR 35 -7.811 5.115 -1.337
259 HD1 TYR 35 HD1 TYR 35 -4.039 5.178 -1.309
260 HD2 TYR 35 HD2 TYR 35 -7.709 7.410 -0.927
261 HE1 TYR 35 HE1 TYR 35 -2.747 7.309 -1.245
262 HE2 TYR 35 HE2 TYR 35 -6.453 9.511 -0.850
263 HH TYR 35 HH TYR 35 -4.373 10.507 -1.080
264 H GLY 36 H GLY 36 -8.157 3.995 2.375
265 1HA GLY 36 1HA GLY 36 -9.527 1.573 1.955
266 2HA GLY 36 2HA GLY 36 -10.000 2.844 3.099
267 H CYS 37 H CYS 37 -11.923 1.349 1.876
268 HA CYS 37 HA CYS 37 -12.998 3.029 -0.341
269 1HB CYS 37 1HB CYS 37 -14.113 0.937 -1.100
270 2HB CYS 37 2HB CYS 37 -12.364 0.960 -1.250
271 H THR 38 H THR 38 -14.658 4.184 0.280
272 HA THR 38 HA THR 38 -16.416 4.983 1.385
273 HB THR 38 HB THR 38 -18.189 3.070 2.118
274 HG1 THR 38 HG1 THR 38 -16.645 1.488 1.299
275 1HG2 THR 38 1HG2 THR 38 -18.578 4.965 0.588
276 2HG2 THR 38 2HG2 THR 38 -17.706 4.118 -0.709
277 3HG2 THR 38 3HG2 THR 38 -19.241 3.470 -0.076
No H/Q in entry = 277
Start of MODEL 14
1 H1 ASP 1 H1 ASP 1 8.835 1.689 14.778
2 H2 ASP 1 H2 ASP 1 9.849 0.438 14.576
3 H3 ASP 1 H3 ASP 1 10.452 1.957 14.892
4 HA ASP 1 HA ASP 1 9.828 2.750 12.786
5 1HB ASP 1 1HB ASP 1 11.908 1.522 12.759
6 2HB ASP 1 2HB ASP 1 11.058 -0.021 12.589
7 H GLU 2 H GLU 2 7.533 2.927 12.753
8 HA GLU 2 HA GLU 2 6.025 0.516 11.863
9 1HB GLU 2 1HB GLU 2 5.282 2.948 13.527
10 2HB GLU 2 2HB GLU 2 4.098 1.821 12.883
11 1HG GLU 2 1HG GLU 2 4.547 1.231 15.171
12 2HG GLU 2 2HG GLU 2 5.114 -0.045 14.094
13 H ALA 3 H ALA 3 6.920 3.738 10.781
14 HA ALA 3 HA ALA 3 4.709 4.140 8.983
15 1HB ALA 3 2HB ALA 3 6.356 5.597 7.741
16 2HB ALA 3 1HB ALA 3 7.611 5.099 8.892
17 3HB ALA 3 3HB ALA 3 6.196 6.005 9.456
18 H ILE 4 H ILE 4 4.168 2.798 7.330
19 HA ILE 4 HA ILE 4 5.898 0.579 6.681
20 HB ILE 4 HB ILE 4 3.280 1.333 5.340
21 1HG1 ILE 4 1HG1 ILE 4 3.726 -0.303 7.885
22 2HG1 ILE 4 2HG1 ILE 4 2.938 1.275 7.800
23 1HG2 ILE 4 1HG2 ILE 4 4.780 -0.445 4.285
24 2HG2 ILE 4 2HG2 ILE 4 4.606 -1.388 5.773
25 3HG2 ILE 4 3HG2 ILE 4 3.188 -1.028 4.760
26 1HD1 ILE 4 1HD1 ILE 4 1.164 0.306 6.350
27 2HD1 ILE 4 2HD1 ILE 4 1.883 -1.295 6.627
28 3HD1 ILE 4 3HD1 ILE 4 1.235 -0.371 7.987
29 H ARG 5 H ARG 5 7.565 0.805 5.312
30 HA ARG 5 HA ARG 5 7.651 2.973 3.304
31 1HB ARG 5 1HB ARG 5 9.718 1.330 4.755
32 2HB ARG 5 2HB ARG 5 10.077 1.837 3.103
33 1HG ARG 5 1HG ARG 5 9.658 4.179 3.639
34 2HG ARG 5 2HG ARG 5 9.189 3.763 5.292
35 1HD ARG 5 1HD ARG 5 11.930 3.035 4.195
36 2HD ARG 5 2HD ARG 5 11.594 4.656 4.825
37 HE ARG 5 HE ARG 5 10.751 3.431 6.909
38 1HH1 ARG 5 1HH1 ARG 5 13.591 2.246 5.043
39 2HH1 ARG 5 2HH1 ARG 5 14.123 1.291 6.399
40 1HH2 ARG 5 1HH2 ARG 5 11.678 2.290 8.680
41 2HH2 ARG 5 2HH2 ARG 5 13.104 1.373 8.401
42 H CYS 6 H CYS 6 8.430 2.329 1.122
43 HA CYS 6 HA CYS 6 8.071 -0.481 0.350
44 1HB CYS 6 1HB CYS 6 6.561 0.307 -1.549
45 2HB CYS 6 2HB CYS 6 5.843 0.216 0.044
46 H THR 7 H THR 7 8.756 -0.792 -1.888
47 HA THR 7 HA THR 7 10.941 0.984 -2.714
48 HB THR 7 HB THR 7 9.970 -1.425 -4.262
49 HG1 THR 7 HG1 THR 7 10.057 -2.191 -2.144
50 1HG2 THR 7 1HG2 THR 7 11.890 -0.032 -5.069
51 2HG2 THR 7 2HG2 THR 7 12.752 -0.367 -3.561
52 3HG2 THR 7 3HG2 THR 7 12.377 -1.687 -4.689
53 H GLY 8 H GLY 8 7.530 0.526 -3.443
54 1HA GLY 8 1HA GLY 8 7.185 2.769 -5.061
55 2HA GLY 8 2HA GLY 8 7.389 1.339 -6.108
56 H THR 9 H THR 9 4.905 2.473 -6.195
57 HA THR 9 HA THR 9 3.013 1.908 -4.242
58 HB THR 9 HB THR 9 2.835 2.107 -7.250
59 HG1 THR 9 HG1 THR 9 3.420 3.945 -6.282
60 1HG2 THR 9 1HG2 THR 9 0.591 1.641 -5.290
61 2HG2 THR 9 2HG2 THR 9 0.329 2.640 -6.745
62 3HG2 THR 9 3HG2 THR 9 0.850 0.959 -6.894
63 H LYS 10 H LYS 10 3.815 -0.254 -7.049
64 HA LYS 10 HA LYS 10 1.915 -2.155 -6.078
65 1HB LYS 10 1HB LYS 10 2.976 -1.783 -8.512
66 2HB LYS 10 2HB LYS 10 4.017 -3.106 -7.953
67 1HG LYS 10 1HG LYS 10 1.888 -4.364 -7.306
68 2HG LYS 10 2HG LYS 10 0.961 -3.040 -8.029
69 1HD LYS 10 1HD LYS 10 2.085 -3.527 -10.228
70 2HD LYS 10 2HD LYS 10 2.915 -4.899 -9.444
71 1HE LYS 10 1HE LYS 10 0.610 -5.745 -8.738
72 2HE LYS 10 2HE LYS 10 -0.098 -4.488 -9.764
73 1HZ LYS 10 1HZ LYS 10 1.072 -5.523 -11.644
74 2HZ LYS 10 2HZ LYS 10 1.620 -6.720 -10.670
75 3HZ LYS 10 3HZ LYS 10 0.015 -6.556 -10.908
76 H ASP 11 H ASP 11 4.793 -1.403 -4.602
77 HA ASP 11 HA ASP 11 5.905 -4.016 -4.240
78 1HB ASP 11 1HB ASP 11 7.129 -1.798 -4.063
79 2HB ASP 11 2HB ASP 11 6.326 -1.570 -2.502
80 H CYS 12 H CYS 12 4.032 -1.865 -1.999
81 HA CYS 12 HA CYS 12 3.515 -4.166 -0.204
82 1HB CYS 12 1HB CYS 12 2.557 -2.421 1.298
83 2HB CYS 12 2HB CYS 12 4.269 -2.293 0.956
84 H TYR 13 H TYR 13 2.174 -3.694 -2.979
85 HA TYR 13 HA TYR 13 -0.449 -2.784 -2.519
86 1HB TYR 13 1HB TYR 13 0.965 -3.453 -4.735
87 2HB TYR 13 2HB TYR 13 -0.098 -4.835 -4.662
88 HD1 TYR 13 HD1 TYR 13 -2.643 -4.437 -4.684
89 HD2 TYR 13 HD2 TYR 13 0.190 -1.237 -5.280
90 HE1 TYR 13 HE1 TYR 13 -4.430 -3.022 -5.662
91 HE2 TYR 13 HE2 TYR 13 -1.543 0.130 -6.322
92 HH TYR 13 HH TYR 13 -4.972 -0.850 -6.418
93 H ILE 14 H ILE 14 0.856 -6.124 -2.303
94 HA ILE 14 HA ILE 14 -1.685 -7.409 -2.058
95 HB ILE 14 HB ILE 14 1.158 -8.280 -1.546
96 1HG1 ILE 14 2HG1 ILE 14 -1.096 -9.458 -3.236
97 2HG1 ILE 14 1HG1 ILE 14 0.569 -10.031 -3.169
98 1HG2 ILE 14 1HG2 ILE 14 -1.312 -9.781 -0.623
99 2HG2 ILE 14 2HG2 ILE 14 0.271 -10.562 -0.945
100 3HG2 ILE 14 3HG2 ILE 14 0.126 -9.357 0.313
101 1HD1 ILE 14 1HD1 ILE 14 1.321 -7.853 -4.153
102 2HD1 ILE 14 2HD1 ILE 14 0.292 -8.830 -5.202
103 3HD1 ILE 14 3HD1 ILE 14 -0.390 -7.418 -4.377
104 HA PRO 15 HA PRO 15 -1.169 -7.442 2.643
105 1HB PRO 15 1HB PRO 15 0.427 -5.529 3.890
106 2HB PRO 15 2HB PRO 15 0.890 -7.227 3.563
107 1HG PRO 15 2HG PRO 15 2.610 -6.109 2.367
108 2HG PRO 15 1HG PRO 15 1.521 -4.759 1.941
109 1HD PRO 15 1HD PRO 15 1.470 -6.006 -0.067
110 2HD PRO 15 2HD PRO 15 1.596 -7.561 0.793
111 H CYS 16 H CYS 16 -0.711 -4.148 1.183
112 HA CYS 16 HA CYS 16 -2.717 -2.872 2.737
113 1HB CYS 16 1HB CYS 16 -1.582 -2.330 -0.007
114 2HB CYS 16 2HB CYS 16 -3.071 -1.540 0.515
115 H ARG 17 H ARG 17 -3.116 -4.449 -0.531
116 HA ARG 17 HA ARG 17 -5.932 -4.107 -0.623
117 1HB ARG 17 1HB ARG 17 -4.544 -4.736 -2.540
118 2HB ARG 17 2HB ARG 17 -4.200 -6.310 -1.837
119 1HG ARG 17 1HG ARG 17 -7.102 -5.565 -2.300
120 2HG ARG 17 2HG ARG 17 -6.080 -5.844 -3.696
121 1HD ARG 17 1HD ARG 17 -6.956 -7.924 -3.436
122 2HD ARG 17 2HD ARG 17 -5.413 -8.094 -2.594
123 HE ARG 17 HE ARG 17 -7.555 -7.309 -0.808
124 1HH1 ARG 17 1HH1 ARG 17 -6.074 -10.101 -2.422
125 2HH1 ARG 17 2HH1 ARG 17 -6.775 -11.281 -1.403
126 1HH2 ARG 17 1HH2 ARG 17 -8.531 -8.905 0.605
127 2HH2 ARG 17 2HH2 ARG 17 -8.159 -10.582 0.398
128 H TYR 18 H TYR 18 -3.951 -6.589 1.045
129 HA TYR 18 HA TYR 18 -6.222 -8.208 1.672
130 1HB TYR 18 1HB TYR 18 -3.606 -8.715 1.819
131 2HB TYR 18 2HB TYR 18 -3.845 -8.232 3.495
132 HD1 TYR 18 HD1 TYR 18 -5.789 -9.376 4.805
133 HD2 TYR 18 HD2 TYR 18 -4.377 -10.776 0.966
134 HE1 TYR 18 HE1 TYR 18 -7.045 -11.482 5.116
135 HE2 TYR 18 HE2 TYR 18 -5.631 -12.883 1.276
136 HH TYR 18 HH TYR 18 -7.275 -13.705 4.278
137 H ILE 19 H ILE 19 -4.372 -5.889 3.760
138 HA ILE 19 HA ILE 19 -6.135 -6.109 5.966
139 HB ILE 19 HB ILE 19 -4.227 -3.888 5.115
140 1HG1 ILE 19 1HG1 ILE 19 -3.760 -5.954 7.297
141 2HG1 ILE 19 2HG1 ILE 19 -3.376 -6.335 5.627
142 1HG2 ILE 19 1HG2 ILE 19 -5.557 -4.353 7.832
143 2HG2 ILE 19 2HG2 ILE 19 -4.248 -3.193 7.523
144 3HG2 ILE 19 3HG2 ILE 19 -5.809 -2.960 6.760
145 1HD1 ILE 19 1HD1 ILE 19 -1.848 -4.413 5.485
146 2HD1 ILE 19 2HD1 ILE 19 -2.163 -4.039 7.189
147 3HD1 ILE 19 3HD1 ILE 19 -1.384 -5.567 6.751
148 H THR 20 H THR 20 -5.940 -3.628 3.416
149 HA THR 20 HA THR 20 -8.241 -2.161 4.314
150 HB THR 20 HB THR 20 -5.906 -1.635 3.001
151 HG1 THR 20 HG1 THR 20 -8.253 -0.112 3.174
152 1HG2 THR 20 1HG2 THR 20 -6.646 -2.559 0.832
153 2HG2 THR 20 2HG2 THR 20 -7.968 -1.426 0.811
154 3HG2 THR 20 3HG2 THR 20 -6.298 -0.821 0.760
155 H GLY 21 H GLY 21 -7.956 -5.059 2.517
156 1HA GLY 21 1HA GLY 21 -9.578 -6.401 1.696
157 2HA GLY 21 2HA GLY 21 -10.785 -5.154 2.001
158 H CYS 22 H CYS 22 -10.166 -3.091 0.458
159 HA CYS 22 HA CYS 22 -10.659 -4.165 -2.224
160 1HB CYS 22 1HB CYS 22 -10.796 -1.275 -1.464
161 2HB CYS 22 2HB CYS 22 -11.528 -2.086 -2.825
162 H PHE 23 H PHE 23 -9.561 -3.502 -4.050
163 HA PHE 23 HA PHE 23 -6.766 -3.516 -3.862
164 1HB PHE 23 2HB PHE 23 -8.232 -4.667 -5.528
165 2HB PHE 23 1HB PHE 23 -6.852 -3.836 -6.197
166 HD1 PHE 23 HD1 PHE 23 -10.469 -2.740 -5.377
167 HD2 PHE 23 HD2 PHE 23 -7.275 -2.991 -8.302
168 HE1 PHE 23 HE1 PHE 23 -11.857 -1.593 -6.992
169 HE2 PHE 23 HE2 PHE 23 -8.749 -1.913 -9.949
170 HZ PHE 23 HZ PHE 23 -11.040 -1.177 -9.313
171 H ASN 24 H ASN 24 -7.644 -0.927 -2.734
172 HA ASN 24 HA ASN 24 -6.358 0.940 -4.701
173 1HB ASN 24 1HB ASN 24 -8.744 1.404 -2.970
174 2HB ASN 24 2HB ASN 24 -7.555 2.700 -3.111
175 2HD2 ASN 24 1HD2 ASN 24 -9.996 0.929 -4.868
176 1HD2 ASN 24 2HD2 ASN 24 -9.808 1.760 -6.400
177 H SER 25 H SER 25 -4.320 0.729 -4.188
178 HA SER 25 HA SER 25 -3.396 1.364 -1.460
179 1HB SER 25 2HB SER 25 -1.807 -0.450 -1.630
180 2HB SER 25 1HB SER 25 -2.189 -0.703 -3.326
181 HG SER 25 HG SER 25 -3.189 -2.285 -2.216
182 H ARG 26 H ARG 26 -1.668 3.092 -1.595
183 HA ARG 26 HA ARG 26 -0.262 3.162 -4.199
184 1HB ARG 26 1HB ARG 26 -1.980 5.243 -2.965
185 2HB ARG 26 2HB ARG 26 -0.394 5.811 -3.472
186 1HG ARG 26 1HG ARG 26 -0.798 5.008 -5.760
187 2HG ARG 26 2HG ARG 26 -2.406 4.412 -5.274
188 1HD ARG 26 1HD ARG 26 -3.152 6.629 -4.710
189 2HD ARG 26 2HD ARG 26 -1.536 7.305 -4.877
190 HE ARG 26 HE ARG 26 -3.150 6.180 -7.138
191 1HH1 ARG 26 1HH1 ARG 26 -0.511 8.343 -6.154
192 2HH1 ARG 26 2HH1 ARG 26 -0.652 9.341 -7.570
193 1HH2 ARG 26 1HH2 ARG 26 -3.441 7.630 -8.899
194 2HH2 ARG 26 2HH2 ARG 26 -2.195 8.787 -9.261
195 H CYS 27 H CYS 27 1.638 4.774 -3.900
196 HA CYS 27 HA CYS 27 2.749 4.687 -1.198
197 1HB CYS 27 1HB CYS 27 4.162 3.727 -3.700
198 2HB CYS 27 2HB CYS 27 5.038 4.467 -2.375
199 H ILE 28 H ILE 28 4.051 6.511 -0.799
200 HA ILE 28 HA ILE 28 4.221 8.574 -2.876
201 HB ILE 28 HB ILE 28 2.131 9.064 -1.857
202 1HG1 ILE 28 2HG1 ILE 28 4.244 10.857 -0.618
203 2HG1 ILE 28 1HG1 ILE 28 2.522 11.225 -0.711
204 1HG2 ILE 28 1HG2 ILE 28 2.231 7.731 0.184
205 2HG2 ILE 28 2HG2 ILE 28 3.428 8.837 0.886
206 3HG2 ILE 28 3HG2 ILE 28 1.775 9.397 0.535
207 1HD1 ILE 28 1HD1 ILE 28 2.649 11.076 -3.203
208 2HD1 ILE 28 2HD1 ILE 28 3.625 12.372 -2.482
209 3HD1 ILE 28 3HD1 ILE 28 4.412 10.892 -3.069
210 H ASN 29 H ASN 29 6.115 9.515 -2.774
211 HA ASN 29 HA ASN 29 8.223 9.960 -2.417
212 1HB ASN 29 1HB ASN 29 7.461 11.367 -0.565
213 2HB ASN 29 2HB ASN 29 7.640 10.016 0.561
214 2HD2 ASN 29 1HD2 ASN 29 9.298 11.219 1.775
215 1HD2 ASN 29 2HD2 ASN 29 10.893 11.471 1.123
216 H LYS 30 H LYS 30 7.667 7.778 0.379
217 HA LYS 30 HA LYS 30 8.996 5.630 -1.026
218 1HB LYS 30 1HB LYS 30 10.786 7.171 0.230
219 2HB LYS 30 2HB LYS 30 10.293 6.243 1.634
220 1HG LYS 30 1HG LYS 30 10.925 4.657 -0.841
221 2HG LYS 30 2HG LYS 30 12.249 5.588 -0.177
222 1HD LYS 30 1HD LYS 30 11.877 4.493 2.054
223 2HD LYS 30 2HD LYS 30 10.709 3.417 1.283
224 1HE LYS 30 1HE LYS 30 13.652 3.696 0.575
225 2HE LYS 30 2HE LYS 30 12.899 2.356 1.451
226 1HZ LYS 30 1HZ LYS 30 11.498 2.126 -0.657
227 2HZ LYS 30 2HZ LYS 30 12.668 3.011 -1.409
228 3HZ LYS 30 3HZ LYS 30 13.083 1.612 -0.688
229 H SER 31 H SER 31 6.386 6.554 0.801
230 HA SER 31 HA SER 31 6.321 3.959 2.217
231 1HB SER 31 1HB SER 31 5.044 5.343 3.989
232 2HB SER 31 2HB SER 31 6.809 5.423 3.924
233 HG SER 31 HG SER 31 6.077 7.474 4.086
234 H CYS 32 H CYS 32 4.404 3.056 2.678
235 HA CYS 32 HA CYS 32 2.550 3.050 0.485
236 1HB CYS 32 1HB CYS 32 2.347 1.745 3.224
237 2HB CYS 32 2HB CYS 32 1.447 1.281 1.789
238 H LYS 33 H LYS 33 0.578 3.974 0.356
239 HA LYS 33 HA LYS 33 -0.841 4.944 2.715
240 1HB LYS 33 1HB LYS 33 -0.060 6.744 0.391
241 2HB LYS 33 2HB LYS 33 -1.455 7.076 1.419
242 1HG LYS 33 1HG LYS 33 1.448 6.934 2.319
243 2HG LYS 33 2HG LYS 33 0.487 8.389 2.049
244 1HD LYS 33 1HD LYS 33 -0.987 7.855 3.927
245 2HD LYS 33 2HD LYS 33 -0.135 6.326 4.195
246 1HE LYS 33 1HE LYS 33 0.678 7.934 5.776
247 2HE LYS 33 2HE LYS 33 1.968 7.514 4.647
248 1HZ LYS 33 1HZ LYS 33 0.336 9.994 4.565
249 2HZ LYS 33 2HZ LYS 33 1.857 9.888 5.094
250 3HZ LYS 33 3HZ LYS 33 1.537 9.648 3.500
251 H CYS 34 H CYS 34 -2.561 3.670 2.543
252 HA CYS 34 HA CYS 34 -3.563 2.997 -0.167
253 1HB CYS 34 1HB CYS 34 -3.441 1.291 2.343
254 2HB CYS 34 2HB CYS 34 -4.067 0.783 0.772
255 H TYR 35 H TYR 35 -5.945 2.234 0.000
256 HA TYR 35 HA TYR 35 -7.442 4.141 1.766
257 1HB TYR 35 1HB TYR 35 -7.868 3.826 -1.216
258 2HB TYR 35 2HB TYR 35 -8.688 4.926 -0.142
259 HD1 TYR 35 HD1 TYR 35 -7.576 6.970 0.664
260 HD2 TYR 35 HD2 TYR 35 -5.629 4.268 -2.071
261 HE1 TYR 35 HE1 TYR 35 -6.047 8.789 -0.050
262 HE2 TYR 35 HE2 TYR 35 -4.083 6.047 -2.757
263 HH TYR 35 HH TYR 35 -4.464 9.425 -1.606
264 H GLY 36 H GLY 36 -7.612 1.411 -0.568
265 1HA GLY 36 1HA GLY 36 -9.156 -0.269 -0.743
266 2HA GLY 36 2HA GLY 36 -9.629 0.023 0.949
267 H CYS 37 H CYS 37 -11.878 -0.123 0.528
268 HA CYS 37 HA CYS 37 -13.155 1.762 -1.360
269 1HB CYS 37 2HB CYS 37 -15.209 0.687 -0.605
270 2HB CYS 37 1HB CYS 37 -14.338 -0.257 0.591
271 H THR 38 H THR 38 -11.960 1.755 1.895
272 HA THR 38 HA THR 38 -13.349 4.144 2.713
273 HB THR 38 HB THR 38 -13.881 1.398 3.954
274 HG1 THR 38 HG1 THR 38 -15.126 2.729 2.175
275 1HG2 THR 38 1HG2 THR 38 -13.488 3.006 5.782
276 2HG2 THR 38 2HG2 THR 38 -14.705 4.094 5.101
277 3HG2 THR 38 3HG2 THR 38 -15.179 2.495 5.707
No H/Q in entry = 277
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